#DEFINITION	Reference Metabolome for Dalbergia assamica
#IDENTTFIER	RefMeta-Dalbergia assamica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Dalbergia assamica
#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 Dalbergia assamica 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	999.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52526	1.4
69.52935	0.4
71.01253	9.9
72.99180	1.0
73.02823	1.7
78.95804	0.6
79.95610	0.5
80.02546	0.3
81.03336	0.5
83.01261	1.3
83.04903	0.7
85.02821	2.5
85.55222	0.3
87.00755	2.9
89.02314	7.4
89.02840	0.5
95.01276	0.9
95.04916	0.2
96.95889	1.9
97.02823	3.0
97.06467	0.4
99.00763	0.5
101.02320	7.3
109.02828	0.3
109.06485	0.6
111.00759	0.3
111.08039	8.3
113.02324	4.4
116.92861	0.2
119.03372	2.0
121.02872	0.4
123.04414	0.3
123.08019	0.5
125.02354	2.8
125.09609	0.3
127.07560	1.0
131.03381	0.5
137.09615	0.8
141.09160	0.4
143.03429	1.2
145.04907	0.3
147.04434	0.4
149.04489	0.4
149.09637	0.3
151.11201	0.9
153.09090	0.4
153.12776	1.0
155.10657	0.3
161.04459	1.5
163.03946	0.3
163.11145	0.6
165.12788	1.2
167.10611	0.3
169.12256	4.4
170.12679	0.3
171.10193	1.3
179.05522	2.6
179.10709	0.4
181.12230	1.1
183.13852	0.8
185.11777	0.3
193.12257	0.7
197.11763	41.9
198.12138	2.0
199.06017	0.4
199.13292	2.7
199.29631	0.3
209.11777	1.3
209.15398	0.3
211.13333	6.7
221.06598	1.2
223.01228	0.2
223.13396	0.6
227.12825	1.8
229.19576	0.3
235.08234	2.0
247.20695	0.9
253.09239	0.6
257.89182	0.2
259.08115	0.2
263.20102	2.8
264.20676	0.3
265.18051	1.0
273.18680	1.5
287.07709	0.7
291.19666	20.0
292.19971	1.8
293.21176	0.7
294.12360	0.3
300.13101	0.3
305.08826	0.7
309.20697	100.0
310.21030	8.2
323.09714	0.9
327.21756	0.3
333.20807	0.7
351.21729	0.3
366.83545	0.3
366.88599	0.3
375.13443	0.3
379.12549	1.0
397.13501	19.9
398.13730	1.6
415.14584	12.7
415.19083	0.2
416.14847	1.0
425.19867	0.2
427.29813	0.3
601.41113	1.8
689.33960	2.1
690.33618	0.5
707.34906	3.4
708.35388	0.6
837.81836	0.4
999.54559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	12.7
71.04856	0.3
71.45393	0.5
72.99181	1.2
73.02814	1.5
75.00734	0.4
78.95789	0.5
80.02538	0.3
81.03332	0.9
83.01268	1.4
83.04897	0.9
85.02836	2.8
87.00751	3.8
89.02319	8.8
93.03335	0.3
94.97967	0.4
95.01261	0.9
96.95887	1.1
97.02824	3.9
97.06487	0.6
99.00773	0.8
99.22123	0.3
101.02329	8.1
109.06437	0.5
109.34936	0.3
111.08043	8.0
112.08420	0.5
113.02333	4.8
119.03407	2.3
119.08555	0.3
123.04361	0.5
125.02332	3.2
125.09606	0.5
127.07545	0.8
127.11165	0.3
131.03394	0.6
137.09627	1.4
139.03966	0.4
141.01843	0.4
143.03377	1.5
147.04448	0.7
150.10405	0.3
151.11227	0.8
153.09146	0.4
153.12733	0.8
154.79282	0.3
161.04460	1.8
163.11198	1.0
165.12798	2.3
166.09964	0.3
167.10739	0.3
167.14194	0.3
169.12263	4.2
171.10158	2.4
175.11197	0.3
179.05566	2.9
179.10674	0.5
181.12263	1.5
183.13855	1.0
186.56714	0.3
193.12288	0.8
193.15977	0.4
195.13863	0.4
197.11768	40.6
198.12100	1.9
199.13359	2.3
201.23779	0.3
209.11772	1.4
209.15483	0.3
211.13344	6.3
212.13672	0.3
221.06596	1.3
223.13237	0.4
223.16986	0.3
225.14929	0.4
227.12859	2.3
229.19562	0.3
235.08235	3.0
247.20645	1.6
253.09314	0.7
263.07541	0.4
263.20135	2.2
265.18057	1.0
273.18597	1.4
287.07660	1.0
291.19675	26.0
292.19977	2.1
293.21338	0.7
305.08893	1.0
309.20709	100.0
310.21082	7.1
323.09909	0.8
325.20114	0.6
333.20679	0.3
379.12552	1.5
397.13504	22.8
398.13748	1.4
415.14578	14.2
416.14984	0.9
577.25079	0.3
595.25421	0.3
601.41193	2.0
602.41602	0.4
689.33624	2.2
690.35596	0.4
707.35040	4.6
708.35669	0.7
879.78491	0.3
906.89838	0.3
999.55072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
71.01254	18.0
71.04901	1.6
72.99207	1.5
73.02842	2.1
75.00743	0.8
78.95776	0.5
80.02541	0.6
81.03352	1.6
83.01286	1.8
83.04916	1.5
85.02818	4.1
85.03230	0.4
87.00755	5.7
89.02316	15.8
93.03345	0.7
95.01296	1.3
95.04919	1.3
96.95903	0.9
97.02828	4.0
97.06461	0.6
98.03658	0.5
98.20530	1.9
99.00783	1.3
101.02322	12.3
106.04127	0.7
107.04955	0.5
109.06470	8.1
109.07172	0.7
111.04417	3.7
111.08031	7.3
113.02333	7.3
119.03415	4.0
121.02842	1.1
121.06534	0.6
123.04442	0.5
123.08047	2.2
125.02350	5.3
125.09613	0.5
127.07524	1.2
127.11723	0.5
131.03323	1.0
133.04997	0.5
137.02361	0.8
137.09622	1.7
139.03918	0.5
141.01808	0.9
141.09183	0.8
143.03430	2.8
143.10655	0.7
145.06445	2.2
147.04460	1.1
149.04443	0.5
149.09624	1.5
151.11180	1.1
153.09108	0.8
153.12778	0.8
161.04454	3.8
163.11211	1.6
165.12793	1.7
167.10699	2.7
169.12271	3.5
171.10168	2.2
177.12796	0.6
179.05534	5.7
179.10744	1.6
181.12170	1.1
185.04388	0.6
191.14368	0.9
193.12286	0.9
195.13838	2.3
197.11760	32.9
198.12061	1.5
199.13345	1.3
209.11752	1.2
211.13345	5.2
217.07207	0.7
221.06653	1.9
223.13385	0.9
227.12865	2.0
235.08215	5.3
235.13408	1.3
245.06769	0.7
245.19083	4.1
247.20598	1.2
253.09016	1.0
263.07828	0.7
263.20187	2.1
265.18036	1.2
271.17035	1.2
273.15115	0.6
273.18518	1.1
274.26163	0.5
276.09741	0.5
277.21701	1.4
285.98398	0.5
287.07669	1.3
287.16501	2.1
289.18097	100.0
290.18445	7.8
291.19662	22.5
292.20041	2.1
293.21179	1.2
305.08762	1.7
307.19156	6.1
308.19440	0.5
309.20709	81.5
310.21039	7.1
321.08398	0.5
321.20676	0.7
323.09698	0.6
343.08286	0.7
351.21930	0.6
374.40689	0.5
379.12451	3.0
397.13519	42.6
398.13913	3.4
415.14594	16.7
416.14801	0.9
539.32922	0.5
669.31427	1.1
687.32281	3.8
689.33954	1.3
707.34515	2.6
740.83411	0.5
936.25934	0.6
979.48889	1.9
997.54517	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	997.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	3.4
70.95168	0.8
71.01254	29.6
71.53286	1.5
72.01608	0.9
72.99188	2.7
73.02824	3.2
77.91553	0.7
78.95808	1.1
81.03325	3.8
83.01269	4.9
83.04919	1.7
85.02818	8.0
87.00766	7.4
87.04461	1.0
88.98693	0.8
89.02316	22.0
93.03320	1.3
95.01257	2.7
95.04896	1.9
96.95885	5.6
97.02819	8.0
97.06483	3.6
99.00773	1.7
101.02320	21.1
107.04943	0.8
109.02847	1.3
109.06474	1.2
111.04376	1.1
111.08047	8.5
113.02325	12.4
119.03380	5.6
121.06492	1.7
123.04424	3.1
123.08059	2.2
123.78238	0.8
125.02348	8.2
125.09614	7.2
127.07597	1.1
131.03398	1.5
135.08052	1.8
137.09596	3.7
141.01825	1.3
141.12755	1.0
143.03412	2.9
147.04370	1.0
149.05986	0.9
150.38345	0.8
161.04465	4.5
163.11172	6.0
165.09184	1.2
165.12785	4.3
167.10747	1.6
169.12282	4.7
169.76234	0.8
171.10188	3.6
179.05540	8.2
179.10724	1.0
179.14146	0.8
181.12231	2.6
183.13783	0.9
185.11789	7.1
191.14323	6.6
193.12291	0.9
195.13821	1.3
197.11766	43.7
198.12007	1.3
199.13368	1.7
207.10266	3.4
209.11777	19.7
209.13760	1.0
211.13324	10.9
217.15901	1.3
221.06621	3.0
223.13329	1.0
225.11278	3.3
227.12897	4.3
235.08167	5.7
235.13255	1.0
236.44730	0.8
237.11287	3.1
245.19075	13.0
246.19218	1.1
247.13408	1.0
247.17018	1.3
247.20744	2.2
253.09328	2.4
263.07675	0.9
263.20065	7.1
265.18088	1.1
271.17023	2.6
273.18631	1.7
281.21344	0.9
287.07764	1.4
289.18100	59.2
290.18475	5.4
291.19678	36.6
291.23151	1.2
292.19986	2.1
293.21225	5.9
305.08765	2.1
305.17691	1.8
307.19141	67.2
308.19424	4.8
309.20703	100.0
310.21085	6.3
323.09720	2.4
325.20370	1.0
328.38870	1.0
361.60754	0.8
379.12488	2.3
397.13492	45.8
398.13937	3.6
415.14526	22.1
416.14709	1.3
599.39301	1.2
607.25903	1.7
687.32483	2.9
705.33203	3.1
707.34998	3.2
899.46014	1.4
979.48566	4.8
980.16095	1.0
997.53961	6.7
998.53845	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	997.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.7
70.65535	0.7
70.65880	0.4
71.01254	25.7
72.99174	2.2
73.02818	7.1
74.22133	0.3
75.00745	10.8
75.55794	0.3
75.59879	0.3
83.01266	3.7
85.02824	19.2
85.99980	1.8
87.00750	7.8
87.04380	2.1
89.02312	2.4
93.00807	0.3
95.01263	2.2
97.02830	0.6
99.00753	12.5
99.04374	0.5
101.02323	3.0
103.03898	0.9
111.00754	0.7
112.01566	0.4
113.02337	7.5
114.02632	0.5
114.16759	0.3
115.03883	2.2
119.03388	0.4
131.03403	5.3
143.03400	3.9
145.04982	0.6
147.04477	0.3
157.01360	0.6
161.02412	0.4
163.06026	1.0
193.05119	0.3
205.07175	1.9
205.08727	0.4
295.48895	0.3
343.08362	0.6
356.14056	0.3
497.36313	1.9
498.36349	0.4
537.29706	0.3
567.40607	1.1
657.39581	0.4
911.50116	0.6
912.51996	0.4
935.50525	1.9
936.50067	0.5
953.51135	100.0
954.51422	23.6
997.45068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.8
71.01254	22.2
71.04892	2.6
71.52934	1.4
71.53336	1.4
73.02809	2.3
81.03338	3.2
83.01260	2.1
83.04930	1.8
85.02834	4.2
85.17309	1.1
87.00745	9.5
89.02316	18.7
95.04887	3.3
96.95901	3.1
97.02836	2.7
99.00759	1.8
101.02316	15.3
108.71313	1.3
109.06486	9.0
111.04417	2.8
111.08038	10.1
113.02346	8.2
119.03365	5.2
121.02829	1.7
123.08057	1.5
125.02343	3.9
127.07511	1.4
127.68658	1.3
130.99757	1.6
131.03391	1.7
137.09714	1.3
143.03381	3.9
143.10657	1.6
145.06413	1.6
147.04402	3.6
149.09636	1.2
161.04454	3.9
163.41986	1.3
167.10687	2.1
169.12225	3.6
171.10178	2.1
179.05472	6.4
181.12253	2.8
192.04201	1.6
195.13770	1.9
197.11769	44.4
198.12253	2.3
199.13324	2.6
209.11919	1.3
211.13303	9.6
221.06589	1.6
235.08124	5.2
235.13432	1.6
245.19072	3.9
253.09167	1.9
263.20062	4.4
271.16855	1.7
279.34027	1.5
287.16641	3.4
289.18106	100.0
290.18393	6.9
291.19681	15.1
293.21045	7.2
307.19128	7.8
309.20715	98.2
310.21115	6.6
313.03217	1.5
344.07864	1.4
346.19824	1.5
379.12326	3.0
397.13467	48.1
398.13971	2.6
415.14584	19.9
416.14667	1.7
687.32574	4.0
707.35791	1.6
979.47864	4.6
997.53198	3.2
998.52502	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	997.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	1.0
74.30022	0.5
75.19492	0.5
77.48933	0.4
77.60523	0.4
79.05409	1.3
81.94199	0.5
85.02809	1.1
87.00779	0.8
91.05415	4.3
93.03339	2.8
95.04897	2.3
97.06493	0.7
98.20552	1.5
101.02309	0.7
101.03905	0.5
103.05412	3.4
105.03341	6.8
108.02042	7.6
109.02851	1.6
111.00784	1.0
113.02329	1.0
117.03347	1.8
119.04919	6.1
121.02839	7.6
122.03629	7.3
123.00821	0.7
123.04428	0.4
124.01548	1.3
129.03310	2.3
132.02081	0.9
133.02855	4.9
134.03638	28.4
135.04056	1.4
136.72815	0.4
137.02347	63.1
138.02695	2.5
139.03914	23.5
145.02846	1.5
146.03622	1.6
147.04420	100.0
148.05212	45.6
149.02377	1.0
149.06000	3.9
150.03072	0.6
151.03893	1.0
152.01064	8.2
153.01413	2.8
154.02658	1.2
160.01566	3.1
161.02356	2.1
161.04428	0.6
162.03168	0.9
163.03911	7.6
164.04712	3.9
165.01842	0.8
175.03911	4.3
178.02647	2.1
179.03375	2.0
181.18422	0.5
186.06754	1.0
191.03442	6.8
192.04205	47.4
193.04987	48.6
194.05354	2.3
207.02927	9.0
224.03207	7.5
227.10757	1.4
236.03230	41.3
237.03633	2.0
238.51221	0.4
245.11742	1.2
271.09763	1.0
289.10846	2.2
328.05994	0.6
333.09793	92.7
334.10159	6.8
343.08109	1.1
383.13531	0.7
387.66443	0.5
425.73004	0.5
563.25427	0.8
600.48120	0.6
611.85144	0.5
619.20367	10.1
620.20660	1.8
787.57324	0.6
794.71637	0.6
821.24017	0.6
917.76550	0.6
997.28534	7.3
998.29315	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	997.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.5
71.01255	0.5
71.52709	0.3
73.02824	2.0
87.00754	7.8
87.04212	0.2
91.05404	1.7
93.03333	0.4
95.04862	0.6
97.06470	1.8
101.02324	3.3
103.05408	0.6
104.61994	0.2
105.03349	1.1
108.02042	0.5
109.02835	2.0
113.02325	0.6
119.04923	0.9
121.02837	1.3
122.03647	0.2
123.04396	0.3
129.03323	0.2
130.99760	1.4
133.81775	0.2
135.04422	11.6
136.04750	0.5
137.02354	1.3
138.03049	0.2
139.03920	0.2
143.04906	0.5
145.02824	1.2
145.06485	1.1
146.03722	1.2
147.04430	8.3
147.08087	0.6
148.05219	1.9
149.02350	0.6
149.05956	0.4
151.03978	0.3
153.05457	0.6
156.05708	0.7
158.03662	1.1
159.04416	2.0
159.08067	0.3
160.05148	0.6
161.02420	0.2
161.05956	0.3
163.03888	0.4
164.04672	0.8
169.06506	0.4
170.03613	0.3
171.04437	1.4
171.08040	1.9
172.05211	2.2
173.02348	0.5
173.06001	8.3
174.03149	0.9
174.06786	2.0
175.03874	0.3
175.07590	2.1
177.05602	0.3
179.07016	0.8
183.08034	0.3
183.13834	0.2
184.05161	0.3
185.06021	1.6
186.03261	0.2
186.06776	2.6
187.03998	1.0
187.07597	4.6
188.04642	1.1
188.08099	0.3
189.05467	0.9
189.09122	1.5
190.09856	0.3
191.03476	1.6
192.04216	0.6
193.05016	0.3
195.04472	0.3
196.05240	2.5
197.06021	2.3
197.09596	0.4
198.03267	1.1
198.06651	0.3
199.03889	1.0
199.07578	5.2
199.11241	0.4
200.04684	1.1
200.08278	2.2
201.05556	1.1
201.09151	6.4
202.06284	2.5
202.09483	0.6
203.07095	2.3
203.36325	0.2
204.07835	0.2
209.06065	0.5
209.09639	0.5
209.11633	0.2
210.06805	1.3
211.07588	0.5
211.13329	1.4
212.04672	0.3
212.08067	0.3
212.11723	0.2
213.05463	0.6
213.09077	0.6
214.06299	3.4
215.07098	6.4
215.10542	1.9
216.07741	1.0
216.11465	0.3
217.08659	3.1
218.02170	1.2
218.09459	2.9
219.10019	0.5
223.07628	0.8
224.08392	0.7
225.09160	6.3
226.09906	2.6
227.07129	3.3
227.10652	1.3
228.07829	2.1
229.08650	3.1
231.06548	0.5
232.07349	0.3
241.08710	0.9
242.09294	0.3
243.06706	1.6
243.10245	9.0
244.07193	0.5
244.10959	3.3
245.08174	1.7
245.11707	0.8
251.14198	0.2
254.05942	0.2
259.09833	0.4
269.08136	0.7
271.09549	0.2
271.13367	0.6
287.09222	1.0
288.10010	1.0
289.10806	0.6
297.14911	0.9
301.10803	13.3
302.11188	1.6
313.14511	1.2
313.17816	0.3
315.16040	0.5
321.14859	0.2
323.16449	0.7
325.14401	3.1
326.14810	0.3
341.13901	1.8
341.17670	0.8
343.08411	0.4
343.15665	1.0
350.10016	1.1
359.18555	0.3
369.13385	1.4
385.16547	2.2
386.16577	0.3
403.17621	2.7
429.15448	2.4
445.15259	0.6
446.15302	0.4
447.16592	100.0
448.16928	8.4
448.23273	0.3
505.17209	3.7
506.17410	0.3
520.38251	0.2
527.18182	0.2
547.11743	0.2
579.33228	0.2
635.55334	0.2
743.76270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4542
Annotation	kempopeptin B
Peak:m/z	Relative Intensity
68.99676	1.5
71.01251	3.7
71.53690	2.2
77.77077	1.2
87.00231	2.4
87.00749	42.2
88.98700	2.1
89.02323	1.8
91.05408	4.9
93.03326	4.4
95.04887	4.9
95.95367	1.3
97.06481	2.0
101.02309	2.7
103.05396	2.5
104.03374	1.7
105.03310	5.4
108.02052	2.9
113.02332	3.2
119.04908	5.9
121.02118	1.3
121.02866	17.5
122.03624	9.6
123.04381	2.9
128.66751	1.2
129.03333	1.8
130.99760	16.4
135.04454	2.9
137.02306	5.6
140.59442	1.4
143.41324	1.4
145.02798	3.9
146.03595	4.8
147.04428	36.7
148.05246	6.2
149.02304	5.3
149.05986	3.8
150.03098	3.2
163.03856	4.9
164.04704	3.1
165.05501	2.1
183.13818	3.1
191.03586	6.3
192.04193	3.8
193.04913	1.7
195.24501	1.4
209.11800	3.6
211.13364	29.9
212.13826	1.7
217.01332	4.6
218.02159	6.8
236.03281	1.7
245.19162	3.2
254.04283	9.8
260.73911	1.4
277.21729	1.8
287.16498	1.6
289.17966	5.0
307.19141	3.4
313.23846	1.6
315.15759	2.9
333.17322	1.4
339.15692	1.8
343.08255	2.5
397.13553	3.2
929.44373	2.1
931.43854	3.6
973.44458	9.0
991.45428	100.0
992.45728	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	995.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.9
71.01259	18.5
71.53545	0.7
72.99181	2.0
73.02819	5.6
75.00310	0.4
75.00750	9.0
83.01267	2.2
85.02827	12.0
85.99973	1.2
87.00751	9.2
87.04396	2.1
89.02321	2.7
93.03323	0.7
95.01257	2.5
95.04881	0.6
99.00759	27.8
99.04407	0.5
100.01062	0.5
101.02312	2.1
103.03890	0.9
105.03305	0.6
107.05016	0.3
111.00735	0.4
113.02339	6.3
115.03908	1.4
119.03419	0.7
119.04940	0.6
121.02843	2.0
122.03625	1.1
123.04398	0.5
125.02326	0.6
130.99796	0.9
131.03403	5.3
137.02393	0.5
143.03409	3.2
143.50595	0.4
145.05011	0.8
147.04416	2.0
149.02350	0.8
157.01381	0.5
163.03897	0.8
163.06071	1.0
171.10280	0.6
183.13991	0.4
205.07071	1.7
206.57553	0.4
211.13371	3.2
218.02249	0.8
245.11531	0.5
254.04276	0.5
285.03604	0.4
293.21231	1.1
342.07471	0.7
343.08231	0.6
539.37531	2.0
609.41644	0.7
655.42621	0.8
699.40942	0.5
977.48425	8.7
978.48309	2.4
995.52173	100.0
996.52490	27.0
996.74329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30542	0.4
69.30965	0.4
71.01260	0.4
73.02803	0.1
84.20327	0.1
85.02763	0.1
87.00743	0.6
89.02340	0.2
99.00755	0.2
101.02325	0.2
101.81216	0.1
102.20499	0.1
108.02041	0.7
108.57162	0.1
109.02843	0.4
112.92171	0.1
113.02325	0.2
117.03340	0.2
119.01326	0.1
119.04919	0.3
121.02824	0.6
122.03619	0.1
123.00783	0.1
123.04391	0.5
125.02347	0.3
130.00667	0.1
133.02808	0.3
134.03612	0.3
135.04395	0.3
136.58388	0.1
137.02330	0.3
142.04245	0.1
145.02867	0.5
146.03627	0.4
147.04395	0.7
148.05186	0.4
149.02342	0.3
149.06001	0.3
150.03131	0.3
151.00294	0.2
152.00999	0.1
153.01801	0.1
158.03654	0.3
159.04422	0.5
160.05156	0.1
161.02344	0.2
161.05933	0.2
162.03127	0.2
163.03883	0.2
165.05486	0.2
167.08450	0.1
171.04419	0.1
173.02335	1.0
173.05896	0.2
174.03128	1.8
175.03871	0.3
175.07585	0.1
177.01784	0.1
178.02655	0.1
183.04283	0.1
186.03207	0.3
187.03943	0.3
188.04771	0.5
189.01740	0.2
189.05418	0.2
190.02586	0.2
191.03386	0.4
191.05521	0.1
191.07077	0.4
192.04065	0.1
193.04988	0.5
195.04514	0.1
195.08121	0.2
197.06015	0.1
198.03117	0.3
199.03871	0.1
200.01190	0.1
201.01947	0.4
201.05414	0.2
202.02596	0.8
203.03285	0.2
205.04984	0.2
206.02161	0.2
207.08058	0.3
209.06039	0.2
210.03177	0.8
211.03961	0.2
211.07559	0.2
213.01945	0.2
213.05431	0.3
214.02650	0.6
215.03474	0.6
216.04102	0.2
217.04955	0.2
220.03609	0.2
221.06038	0.3
222.06821	0.2
223.07600	0.4
224.04764	0.2
225.05516	1.0
226.02626	1.5
227.03366	0.3
229.01416	0.5
229.05005	0.6
230.02119	0.2
233.06041	0.2
234.06853	0.1
235.07724	0.5
237.05539	0.4
238.06421	0.1
239.03432	0.3
239.07138	0.8
240.04158	0.2
241.01384	0.2
241.05046	0.4
242.02162	2.0
243.02785	0.2
244.03877	0.1
245.04369	0.2
248.04774	0.3
249.05495	0.7
250.06310	0.4
251.07120	2.1
252.07713	0.2
253.01387	0.3
253.05045	0.1
254.02147	1.5
255.02910	0.3
257.04449	0.2
261.05615	0.3
262.06335	0.4
263.07135	1.2
264.07816	0.5
265.04999	0.3
265.08566	0.2
266.05710	0.3
267.03076	0.3
267.06595	3.1
268.03876	0.2
268.06760	0.3
269.01059	0.2
269.04584	0.7
270.01682	4.9
271.02280	0.4
276.04013	0.1
276.07983	0.1
277.05084	0.7
278.05759	0.3
278.09207	0.1
279.06622	2.8
280.07095	0.4
281.00998	0.5
281.03943	0.1
281.07965	0.2
282.01715	0.3
282.08957	1.2
283.02451	0.8
283.05450	0.2
283.09396	0.2
284.03326	0.7
285.04041	8.6
286.04401	0.6
291.06921	0.1
292.07477	0.2
293.04556	0.4
293.08136	0.3
294.05319	1.0
294.08957	0.9
295.02911	0.2
295.06067	1.0
295.09213	0.2
296.06433	0.2
297.00616	0.2
297.04007	1.8
297.07449	0.1
297.11121	0.5
298.01193	2.6
298.04398	0.1
299.02066	0.2
299.05573	1.5
300.05832	0.1
304.07401	0.2
305.04623	0.5
306.05139	0.2
307.06131	0.5
308.06943	0.7
309.07648	1.0
310.08533	0.5
311.05612	0.4
312.02707	0.6
312.06036	0.2
312.09534	0.1
313.03531	41.8
314.03888	3.1
314.07465	0.1
320.06967	0.3
321.07693	0.2
322.04944	0.2
322.08438	0.8
323.05585	2.8
323.09253	1.0
324.06091	0.2
324.09616	0.2
325.10776	0.2
326.07886	1.0
327.05112	3.1
327.08545	0.2
327.12360	0.3
328.05862	17.0
329.06229	1.3
335.09167	0.3
337.07141	0.4
338.07922	2.0
339.08221	0.1
341.10275	4.3
342.07318	0.4
342.10901	0.2
343.08197	100.0
344.08530	8.4
353.10294	18.5
354.10593	1.6
371.11337	3.1
372.11688	0.1
395.11487	0.2
397.09119	0.2
423.06595	0.2
437.12320	0.3
617.18530	0.5
619.16663	1.5
620.16742	0.1
629.18768	0.9
637.17700	1.5
647.19891	1.1
648.19873	0.2
679.18079	0.3
680.19391	0.1
697.19031	0.1
903.26917	0.1
947.26788	0.1
991.29596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.8
69.00086	0.2
69.48499	0.2
69.48799	1.6
71.04921	0.2
76.52676	0.2
77.03802	0.2
79.05414	0.5
83.04898	0.3
87.00747	9.6
91.05412	2.2
93.03345	2.1
95.04920	1.0
97.06466	5.4
103.05393	1.6
105.03354	2.5
107.04910	3.8
108.02041	0.5
109.02844	0.4
111.04391	0.8
112.05197	2.7
119.04920	2.9
121.02846	20.2
122.03679	3.9
123.04413	0.8
124.01556	0.3
128.31757	0.2
129.03362	0.7
130.04152	0.3
130.99750	1.8
131.04918	0.3
134.03615	0.3
135.04376	0.9
136.01585	0.4
136.05203	1.6
137.02335	3.1
139.03902	1.1
145.02936	0.5
146.03624	0.5
147.04420	26.7
148.01566	0.4
148.05231	5.9
149.02327	0.6
149.05989	4.5
150.03090	0.6
159.04420	0.4
160.05180	0.2
161.02338	0.8
162.03098	0.3
162.06773	1.0
163.03918	2.5
163.11177	0.2
164.04755	1.1
165.05437	0.4
173.02489	0.2
175.03865	0.3
175.07555	0.6
176.04669	0.6
189.09102	0.2
191.03447	7.9
191.10701	4.9
192.04207	3.9
192.11214	0.3
193.01396	0.3
193.04967	3.0
194.02159	0.6
201.09102	1.4
208.03700	0.3
210.03200	0.3
217.08710	0.3
217.12280	0.9
218.09502	0.3
219.10223	4.0
233.11720	0.5
242.02147	0.3
245.11754	1.3
248.28368	0.3
254.01991	0.3
254.04292	2.3
261.11328	2.3
270.01654	0.7
271.02240	0.3
283.02469	0.3
285.04053	2.3
289.10803	4.4
290.11194	0.3
291.08722	4.0
291.11807	0.3
292.09113	0.3
297.00537	0.2
297.03946	0.7
298.01218	0.7
299.05508	0.3
307.11823	1.8
312.02725	0.3
313.03540	11.7
314.03983	1.1
327.05051	0.6
328.05869	3.7
329.06244	0.4
333.09732	0.8
342.07562	0.4
343.08194	13.3
344.08426	1.4
351.10828	100.0
352.11176	8.3
369.11478	0.3
399.21603	0.2
410.04205	0.2
637.17712	21.9
638.18054	3.9
639.18365	0.3
679.10565	0.3
811.32568	0.3
989.29999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	0.9
70.84647	0.7
71.01299	0.3
85.02824	0.8
87.00758	20.3
97.06468	2.3
101.02325	0.8
114.52554	0.3
115.00298	0.5
119.04887	0.3
121.02850	2.3
122.03622	0.8
123.04420	1.9
125.66936	0.3
130.99774	4.8
134.03571	0.4
135.04414	0.5
135.08041	0.6
137.02328	0.7
144.05705	0.4
145.02850	1.0
146.03642	4.3
147.04445	2.8
148.05196	1.0
149.06015	1.5
157.06540	0.3
159.04434	1.6
160.05182	1.1
161.02454	0.4
161.06007	1.0
162.06732	1.5
163.03857	0.3
163.07570	3.2
164.04692	0.6
169.19312	0.3
172.05229	3.4
173.06012	2.8
173.09706	1.5
174.03116	1.7
174.06720	0.9
175.03931	1.3
175.07578	11.5
176.04739	1.1
176.07898	1.0
182.61588	0.3
185.05994	0.9
186.06796	2.7
187.03903	0.8
187.07573	4.8
188.04784	1.7
188.08321	1.3
189.00146	1.0
189.05484	2.7
189.09143	1.9
190.06285	4.0
191.10770	2.2
192.04182	0.3
193.04996	0.8
197.05974	1.1
198.06808	0.5
199.03940	0.4
199.07567	1.0
200.04713	6.4
200.08278	0.8
201.05446	1.5
201.07365	0.6
201.09161	10.2
202.06291	0.4
202.09541	0.5
203.07094	6.1
204.04285	0.8
204.07886	3.4
205.08325	0.5
209.09740	0.5
211.07677	0.8
212.08322	0.4
214.06331	0.8
215.07082	2.4
215.10641	0.5
216.04198	0.4
216.07947	1.7
217.08676	5.7
217.12212	2.3
218.05617	0.3
218.08974	0.4
219.10222	13.3
220.10680	0.7
225.09087	0.4
227.07230	0.6
227.10739	7.3
228.07806	1.6
228.11102	0.4
229.08676	21.3
230.08963	1.6
232.07335	0.4
242.05858	0.6
243.10229	1.2
245.05731	0.4
245.08171	3.6
245.11800	5.6
246.08475	0.4
247.09772	1.8
253.08698	0.4
254.04295	1.1
260.06805	0.5
261.11362	2.4
263.03946	0.4
271.09772	2.8
273.07712	13.8
274.07968	0.9
289.10822	6.8
291.08771	2.0
313.03494	0.7
314.03885	0.3
315.08789	0.8
333.09772	8.7
334.09943	0.9
343.08292	1.2
344.08542	0.5
344.76337	0.3
345.08881	0.5
349.09283	1.2
350.09705	0.8
351.10852	100.0
352.11212	7.0
618.67682	0.3
644.87653	0.3
900.61438	0.3
942.86169	0.4
944.64569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	8.3
71.53693	1.0
72.99174	1.2
73.02811	1.5
81.98123	1.0
85.02835	2.2
87.00765	9.7
89.02330	1.7
91.05423	7.6
93.03346	3.7
95.01259	2.8
96.95916	1.7
99.00830	1.6
101.02315	2.5
108.02046	2.9
109.02849	9.9
111.00800	1.6
113.02317	2.2
117.03330	1.5
119.04935	2.3
121.02851	11.8
122.03688	1.4
123.00795	2.8
123.04377	2.1
124.01511	1.6
125.02329	3.8
130.99754	1.7
131.04930	2.2
132.02058	1.8
133.02879	2.3
134.03642	32.4
135.04419	40.9
137.02356	11.4
138.03107	4.4
139.03918	3.6
143.04884	1.5
145.02875	2.9
146.03630	4.4
147.04425	15.7
148.05089	2.5
149.02345	4.5
149.05984	11.2
150.03128	2.9
151.00264	1.6
151.03922	2.1
153.05478	4.6
159.04428	36.9
160.01556	5.3
160.05203	5.6
161.02335	3.0
161.05978	6.6
162.03064	1.2
163.00266	1.9
163.03915	4.2
164.04691	2.7
172.05223	4.1
173.02365	6.1
173.04582	2.4
173.06000	22.8
174.03093	3.3
174.06519	1.2
175.03932	11.2
176.04597	1.5
177.01926	1.7
177.05528	1.6
178.02637	11.9
179.07088	3.8
185.06030	2.2
186.03015	1.2
186.06821	1.7
187.03922	9.8
187.07596	2.0
189.05469	2.0
190.02600	1.5
191.03441	2.8
192.04173	1.7
193.04993	42.4
197.05969	1.6
197.11697	1.2
199.03963	4.3
199.07576	2.1
200.04799	1.8
201.05484	3.0
201.09167	2.7
202.06308	1.4
203.03413	3.2
205.05038	1.6
209.05988	1.9
211.03958	2.3
211.07532	2.1
211.13353	2.0
213.05452	2.4
213.09102	1.8
215.07066	2.2
217.01367	4.1
218.02049	1.6
219.02797	1.7
221.06009	2.5
223.07590	3.7
225.05554	2.2
225.09024	1.5
227.03458	2.4
228.07828	1.3
229.01387	2.3
229.08691	1.8
230.02180	1.5
233.06064	2.6
237.05481	4.2
239.03484	1.8
239.07092	6.8
242.02144	1.7
244.10735	1.2
248.04837	3.0
249.05508	16.5
250.06267	3.8
251.07106	12.0
253.05048	2.3
254.05768	1.4
255.02995	1.5
256.03735	1.6
261.05542	2.7
262.06274	2.5
263.03461	1.4
263.07394	1.4
264.04160	1.7
265.05054	5.2
265.08072	1.2
266.05780	2.6
267.06601	9.0
268.03760	2.7
268.06824	1.3
269.04321	1.5
269.08267	5.5
271.06061	3.8
275.03555	2.0
276.04285	2.2
277.05057	47.7
278.05685	10.7
279.06549	14.4
280.03531	2.1
281.04559	3.6
281.08035	1.1
282.05231	3.1
283.06006	2.2
285.07712	1.4
292.03824	2.6
293.04523	12.6
294.05374	12.6
295.06064	25.6
296.06744	5.7
297.04407	1.9
297.07635	20.1
297.14911	2.0
298.08084	2.1
299.02142	1.2
301.10834	17.2
302.11243	1.4
303.03079	1.8
305.04547	21.2
306.05173	3.7
307.06113	6.8
308.03229	2.8
308.06686	2.1
309.07675	3.6
310.08517	8.8
311.05853	1.7
311.09225	5.1
312.06744	2.0
312.10025	10.1
313.03784	2.7
319.06183	2.7
320.06998	2.1
321.04013	12.9
321.07651	3.4
322.04828	22.7
322.08441	3.5
323.05591	47.1
323.09055	2.3
324.05887	3.6
324.09613	1.3
325.07166	7.4
325.10840	9.4
327.12381	16.0
336.06479	7.6
337.07159	34.4
338.07904	41.4
339.08444	5.0
343.08237	8.4
351.04999	1.0
351.08704	25.0
352.09210	2.9
353.10284	100.0
354.10730	8.4
357.16837	1.4
364.05927	1.8
369.09445	1.9
371.11252	5.5
379.08148	7.4
395.07706	3.8
396.08270	2.0
397.09259	15.9
408.04611	1.5
423.07227	35.3
424.07428	3.7
429.15622	1.5
432.26733	1.5
543.22729	1.9
557.16797	1.4
565.17133	8.4
619.20209	1.5
831.24567	7.6
859.28143	29.6
859.44757	1.5
860.28088	5.8
861.26941	2.7
884.25934	1.3
885.25916	3.6
887.24542	2.3
903.26917	26.9
904.27136	4.3
905.25366	8.8
906.26300	2.1
929.25055	40.5
930.25226	7.1
947.26227	33.6
947.44287	1.4
948.26941	9.3
973.41681	2.5
981.91547	1.6
990.44037	1.8
991.46936	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	988.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.7
69.03307	0.5
70.92700	0.5
71.01253	10.4
72.99194	1.2
73.02822	2.4
75.00310	0.3
75.00747	5.4
83.01252	1.0
85.02822	8.1
85.99973	0.9
87.00755	4.0
87.04393	1.2
89.02317	1.4
95.01266	1.3
99.00755	7.8
101.02310	1.3
103.03880	0.7
111.00741	0.4
112.01550	0.2
113.02331	4.3
115.03890	1.0
119.02551	0.2
119.03400	0.5
121.02844	0.3
125.02352	0.3
131.03401	2.8
134.03600	0.4
135.04402	0.2
137.02309	0.2
139.00241	0.4
143.03433	2.1
145.04976	0.5
147.04396	0.5
157.01295	0.8
163.06029	0.3
173.05994	0.3
175.03931	0.3
187.03961	0.3
192.03914	0.2
193.04965	0.8
205.07056	1.2
209.11760	0.4
243.10143	0.3
250.03899	0.2
268.70139	0.2
353.10068	0.4
386.30020	0.2
469.33121	1.9
470.33817	0.3
471.34802	3.5
472.34811	0.5
498.29929	0.3
513.35779	0.9
539.37390	3.3
540.37726	0.5
553.35431	0.9
567.36865	0.5
576.80408	0.3
585.37970	6.6
586.38232	1.1
603.38965	0.9
611.21014	0.3
629.36914	4.6
630.37195	0.8
699.40900	0.8
717.42523	1.5
718.42474	0.5
778.67059	0.2
863.48413	0.8
907.46692	0.6
925.48016	100.0
926.48322	21.1
988.45703	0.3
989.44501	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	988.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	1.4
69.03302	0.6
71.01253	15.5
71.54527	0.6
72.99161	1.8
73.02821	3.9
75.00747	6.7
83.01273	2.0
85.02820	10.3
85.99979	0.6
87.00749	6.7
87.04385	1.4
88.87494	0.4
89.02316	4.2
91.05404	0.6
95.01256	2.4
95.04941	0.5
97.02840	0.5
99.00761	7.4
101.02322	6.8
103.03880	1.5
111.00751	0.5
112.01530	0.7
113.02323	7.6
115.03887	1.6
119.03335	1.0
119.04925	0.7
121.02829	0.5
123.00849	0.5
123.04453	0.4
125.02277	0.5
129.01801	0.4
130.27110	0.4
131.03398	3.6
137.02318	1.1
139.00238	0.9
143.03418	3.5
145.02800	0.7
145.04968	0.6
146.03624	1.0
147.04420	3.5
148.05112	1.1
149.05963	0.9
155.13481	0.5
157.01408	0.5
158.03592	0.4
159.04396	1.6
161.04428	1.2
163.06039	1.0
165.12848	0.6
171.04431	0.9
171.08066	1.3
172.05202	2.4
173.02339	0.7
173.06026	2.5
174.03194	0.5
174.06729	0.4
175.07535	0.8
183.13799	1.3
185.06041	2.0
186.06709	1.7
187.03877	1.3
187.07567	3.6
188.04617	0.5
191.03413	1.2
192.04024	0.6
193.04950	0.7
196.05190	0.6
197.06042	1.5
199.07539	1.7
200.04681	1.3
200.08252	1.5
201.05417	0.9
201.09154	5.6
202.06203	1.4
203.06993	0.9
205.07097	2.2
209.11710	1.4
210.06758	0.4
211.07597	0.9
211.13350	2.0
213.05473	1.5
214.06276	1.7
215.07146	3.5
215.10651	1.2
216.07428	0.6
216.11412	0.5
218.05798	0.9
223.07542	0.8
225.09174	1.0
226.09879	1.1
227.06999	0.6
229.08678	2.6
231.06619	0.8
241.05215	0.5
243.10269	3.9
244.10886	1.3
245.08139	3.7
254.04221	0.5
255.02785	0.5
283.13113	0.5
297.14850	1.8
313.03394	1.4
313.18091	0.7
314.07852	0.8
315.15970	0.9
332.08908	0.8
339.15863	0.8
341.17627	0.6
343.08112	2.1
352.17313	0.4
439.35727	2.3
440.36526	0.6
480.56497	0.5
509.39957	1.7
599.39435	0.5
657.34729	0.6
735.16669	0.5
803.38336	0.6
883.43945	0.5
907.49457	1.1
925.51642	100.0
926.51947	27.3
945.44391	1.2
971.41913	1.3
988.42194	2.1
989.43817	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	985.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.4
70.72242	0.4
71.01257	17.1
72.99189	1.5
73.02816	2.4
75.00737	0.4
78.95789	0.4
81.03327	0.7
83.01251	1.7
83.04883	0.6
84.02068	0.5
85.02825	11.0
87.00751	3.6
89.02319	14.1
95.01258	1.2
95.04883	0.5
97.02825	3.1
97.06452	1.7
99.00780	1.2
99.04395	0.3
101.02328	11.1
109.02824	0.4
111.00732	0.3
111.04412	0.5
113.02337	6.3
115.68207	0.3
119.03397	3.6
119.08565	0.3
121.02828	0.5
123.00804	0.3
124.01501	0.4
125.02345	4.9
125.09619	1.0
127.03910	0.3
127.11208	1.2
131.03395	0.5
133.04913	0.4
137.09622	2.7
139.03961	0.3
141.01840	0.5
143.03412	1.9
149.04445	0.3
155.10719	0.9
161.04469	2.4
163.55672	0.3
165.12775	0.5
171.10184	23.6
172.10539	0.9
177.12665	0.3
179.05511	2.8
183.13818	3.0
185.11781	0.4
187.74135	0.3
193.12328	0.6
195.13811	0.4
197.11784	0.5
199.06102	0.3
201.11256	1.6
207.77356	0.3
209.11807	1.2
211.13359	8.7
212.13733	0.4
217.07057	0.5
221.06638	1.2
221.11841	1.7
229.14429	6.3
230.14760	0.4
235.08214	3.9
239.12863	1.1
245.04227	0.3
245.06747	0.3
251.16513	0.4
253.09334	0.9
262.25821	0.2
263.07681	0.6
277.21732	27.8
278.19260	0.4
278.22070	2.5
285.79648	0.3
287.07660	0.7
291.19635	2.7
292.20273	0.3
295.22708	0.6
305.08746	1.8
309.20706	8.8
310.20871	0.6
313.03519	0.6
314.03970	0.3
319.22916	0.3
323.09912	0.6
327.21765	100.0
328.22083	8.3
343.08304	1.7
344.08911	0.4
351.21954	0.3
379.12457	1.0
397.13504	46.6
398.13885	3.6
415.14572	15.8
416.14926	0.9
457.91275	0.3
481.25708	0.5
545.29437	0.3
587.43243	1.6
675.35785	3.1
676.36499	0.7
707.34949	5.5
708.35498	1.1
725.35938	3.1
726.36414	0.4
969.36829	0.3
985.57111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.2
69.03320	1.2
71.01256	10.4
72.99195	1.2
73.02823	2.1
75.00735	0.4
81.03344	0.4
83.01263	1.2
83.04890	0.9
85.02829	2.9
85.71228	0.2
87.00752	2.9
88.98666	0.3
89.02320	9.0
95.01247	0.9
97.02847	1.7
97.06440	0.4
98.19708	0.4
99.00760	0.6
99.04427	0.4
99.08041	1.8
101.02323	8.5
109.02808	0.3
111.00744	0.3
111.04442	0.3
111.08032	0.3
113.02335	4.2
113.09618	2.4
115.03777	0.2
116.01604	0.2
116.92756	1.4
117.01847	0.3
117.92766	0.2
119.03395	2.4
119.04916	0.2
121.02811	0.4
121.09998	0.2
123.08009	0.4
125.02340	3.7
125.09611	0.3
127.07529	0.6
129.09111	4.3
131.03360	0.4
133.04976	0.3
139.11162	1.0
141.09088	0.3
143.03423	1.9
147.04356	0.5
149.04498	0.3
151.11189	0.9
153.09111	0.4
153.12773	0.6
155.10655	0.5
156.11237	0.2
161.04482	1.9
163.11217	0.3
167.03111	0.3
167.10634	0.3
167.14336	0.7
169.12260	2.0
171.10182	3.3
177.12724	0.4
177.14095	0.2
179.05553	1.7
181.12268	3.9
183.13852	2.1
185.11772	0.7
193.05045	0.3
193.12326	1.5
195.13918	0.5
197.11778	7.9
198.12054	0.2
199.13335	3.3
201.09209	0.4
201.11269	0.4
211.13351	13.0
212.13712	0.8
221.06612	0.8
227.12805	0.3
229.66212	0.3
231.21237	0.3
235.08202	4.0
249.22206	0.5
253.09248	0.9
265.21786	0.6
275.20245	1.4
276.20575	0.3
277.21722	25.1
278.22137	1.7
287.07776	1.2
291.19815	0.3
293.21234	10.3
294.21454	0.7
305.08813	1.4
311.22275	100.0
312.22647	7.6
312.26135	0.5
323.09763	0.7
397.13498	39.0
398.13757	2.5
415.14578	13.1
416.14862	0.7
591.41815	0.3
675.35858	1.9
859.36517	0.3
860.19672	0.3
877.34351	0.3
900.41418	0.3
987.43927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	0.1
71.01250	1.9
72.99169	0.2
73.02806	0.5
75.00743	1.0
83.01243	0.2
85.02829	1.4
87.00765	0.9
87.04413	0.2
88.98680	100.0
89.99004	0.8
90.87352	0.1
95.01251	0.1
96.95927	0.1
97.06483	0.1
97.21823	0.1
97.82400	0.1
99.00755	1.0
101.02321	0.2
103.03913	0.1
109.88129	0.1
109.89858	0.1
113.02316	0.6
115.03883	0.2
121.02842	0.2
130.99747	0.1
131.03392	0.4
132.66228	0.2
143.03416	0.3
147.04422	0.2
148.05151	0.1
150.81157	0.1
159.04419	0.1
195.55882	0.1
201.09157	0.1
205.07030	0.2
211.13051	0.1
283.10788	0.1
299.55164	0.1
351.10764	0.2
439.35870	0.2
489.67340	0.1
498.54922	0.1
509.40036	0.2
515.85541	0.1
564.06793	0.1
575.11017	0.1
863.44519	0.1
888.74915	0.1
895.50604	17.7
896.50806	3.5
897.50635	0.3
985.42975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99711	0.3
69.03327	2.0
71.01252	12.4
71.04885	0.2
72.99178	0.9
73.02818	1.7
75.00733	0.3
81.03350	0.5
83.01248	1.4
83.04902	0.7
84.02020	0.4
85.02822	10.8
87.00754	2.6
88.76064	0.2
89.02315	11.4
92.33920	0.2
95.01264	1.2
95.04903	0.4
97.02830	2.9
97.06467	2.2
99.00767	0.7
99.04321	0.3
101.02323	8.4
101.05938	0.2
109.02851	0.3
113.02335	5.2
119.03383	2.9
119.08530	0.3
121.02881	0.3
123.00760	0.2
123.04452	0.2
123.08040	0.4
125.02335	3.5
125.09616	0.9
127.11180	1.5
131.03398	0.7
137.09622	3.0
143.03410	1.4
149.04483	0.4
149.09505	0.2
155.10687	0.8
161.04471	2.0
163.11159	0.2
165.12766	0.6
167.14323	0.4
171.10178	30.6
172.10497	1.0
177.12741	0.7
179.05528	4.4
181.12260	0.3
183.13837	2.5
185.11766	0.8
193.12296	0.8
195.13919	0.4
197.11806	0.6
201.11250	1.8
203.10687	0.5
209.11795	1.2
211.13335	12.7
212.13701	0.6
221.06645	2.4
221.11777	2.2
227.12784	0.4
229.14407	8.9
230.14816	0.5
235.08188	3.2
236.61717	0.2
239.12901	1.7
247.20752	0.5
253.09305	0.8
257.14041	0.3
263.07681	0.4
273.18570	0.3
277.21716	20.9
278.22119	1.2
287.07678	1.3
291.19653	4.0
292.20200	0.4
293.21036	0.5
305.08780	1.4
309.20715	10.9
310.21265	1.0
311.22299	0.3
323.09793	0.6
327.21756	100.0
328.22092	7.7
351.21732	0.4
379.12344	0.6
397.13495	21.9
398.13861	1.2
415.14557	14.2
416.15009	1.0
531.27924	0.4
545.29962	0.4
587.43097	2.4
588.43530	0.3
675.36017	1.1
707.34796	6.0
708.35510	0.7
725.36084	5.3
726.36395	0.9
874.75580	0.3
921.90344	0.2
985.57397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.8
71.01254	16.8
71.04912	0.3
72.99175	1.4
73.02813	2.1
73.96587	0.2
75.00740	0.3
78.95782	0.5
80.42983	0.3
81.03334	0.8
83.01266	1.5
83.04890	0.9
85.02808	3.8
85.99973	0.4
86.13438	0.2
87.00755	4.3
89.02317	12.7
90.02597	0.3
93.06944	0.3
95.01231	1.5
96.95898	1.7
97.02830	3.5
97.06470	0.5
99.00775	1.0
101.02324	11.7
109.02843	0.5
109.06455	0.7
111.00737	0.5
111.08040	6.3
112.08373	0.3
113.02330	7.3
113.09579	0.4
119.03394	3.2
119.08532	0.3
121.10107	0.4
123.88996	0.2
125.02335	4.9
125.09580	0.7
127.07558	0.5
131.03381	0.8
137.02348	0.4
137.09590	0.5
139.03935	0.6
141.01797	0.7
141.12871	0.3
143.03409	2.3
149.04420	0.5
153.12727	0.6
161.04434	2.9
163.11182	0.7
165.12798	1.5
167.10718	0.6
169.12254	3.6
170.12552	0.2
171.10172	2.7
177.12755	0.4
179.05530	4.8
179.10631	0.7
179.14308	1.1
181.12285	1.2
183.13817	0.7
185.04491	0.3
185.11710	0.4
193.12273	0.4
193.15865	0.4
195.13832	8.5
196.14464	0.7
197.11765	31.0
198.12148	1.3
199.13350	1.7
203.05698	0.3
205.12317	0.7
205.15891	0.4
207.10182	0.4
209.11720	0.8
211.13348	5.1
217.07147	0.4
221.06607	2.0
223.13347	5.8
224.13638	0.5
225.14873	0.6
227.12848	1.9
228.13576	0.9
231.21138	0.7
235.08197	4.1
241.35239	0.3
247.20644	1.1
249.22285	0.3
251.16469	0.3
253.09344	1.1
256.13165	1.2
263.07834	0.4
263.20178	1.5
265.18069	0.9
265.21701	0.6
273.18448	1.3
275.20132	5.7
276.20538	0.5
277.21716	0.4
287.07828	1.3
289.18048	0.4
291.19669	19.1
292.20007	1.1
293.21219	100.0
294.21558	8.6
305.08801	1.8
307.19318	0.4
309.20703	73.7
310.21039	6.0
317.21155	0.3
323.09741	1.0
333.20541	0.4
379.12582	2.4
397.13483	33.5
398.13779	2.5
415.14560	19.7
416.14984	1.2
585.41638	2.8
586.41809	0.6
595.26080	0.4
673.34259	0.7
689.34113	1.8
691.35449	2.4
692.36353	0.6
707.34857	3.0
708.35480	0.7
983.54358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.1
69.48525	0.6
69.48927	1.7
71.01254	0.9
81.03336	0.5
81.31296	0.3
83.01265	0.4
85.02802	1.5
87.00770	1.1
93.03339	0.3
95.01260	1.3
96.95859	0.3
97.02850	0.8
98.19827	0.6
99.00826	0.4
101.02341	0.4
107.01289	0.5
107.04931	0.3
108.02054	35.7
109.02858	10.5
110.03206	0.3
113.02372	0.3
117.03339	1.2
119.04927	0.5
121.02853	0.8
123.00774	1.2
125.02363	1.7
132.02065	2.8
133.02879	2.0
134.03633	13.6
135.04411	1.3
137.02316	0.5
145.02919	0.6
147.04391	0.4
148.44186	0.4
149.05978	1.1
151.00284	1.1
151.03992	0.3
152.01060	57.7
153.01851	20.9
153.02879	0.3
154.02155	0.7
159.04414	0.8
160.01575	14.2
160.80098	0.3
161.02354	8.5
163.03937	0.8
165.01898	0.4
165.05389	0.4
167.03418	0.3
169.37051	0.3
173.06076	0.5
175.03932	13.6
176.04462	0.5
177.01860	0.8
178.02785	0.5
179.03387	1.1
188.04706	0.3
189.01987	0.3
191.05571	0.4
193.04994	8.2
194.05321	0.4
203.03389	0.4
227.03568	0.4
228.04057	0.4
253.04889	0.4
269.04608	0.7
271.06201	0.7
272.94217	0.3
286.08374	0.4
297.06357	2.5
299.09213	0.4
300.02628	0.6
315.07236	1.9
323.07980	2.4
325.07196	0.4
326.07639	0.5
327.08823	0.8
338.08060	0.4
447.52261	0.4
459.09378	0.4
491.11951	100.0
492.12286	10.9
492.19440	0.4
572.53271	0.4
580.19513	0.3
601.16577	0.3
847.83527	0.4
983.32678	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	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03380	2.2
69.35411	5.5
71.01257	16.3
72.99219	1.4
73.02871	2.5
78.95810	1.3
81.03362	0.8
83.01334	1.3
83.04917	1.0
85.02831	4.9
87.00745	5.3
89.02324	14.8
91.72080	0.6
95.01307	1.4
96.95924	2.3
97.02823	5.8
101.02335	12.1
109.06513	1.1
111.08049	6.6
113.02332	5.7
119.03383	4.2
125.02314	5.7
137.09669	1.7
143.03458	2.0
144.83914	0.7
161.04498	2.3
163.11147	1.0
165.12807	1.7
169.12273	3.8
171.10167	4.7
179.05559	3.9
179.14403	0.9
181.12276	1.7
183.13898	1.1
193.83383	0.7
195.13803	7.6
197.11751	24.7
198.12112	1.0
199.13376	1.1
202.38252	0.9
209.11810	1.8
211.13348	7.4
221.06621	0.9
223.13387	6.5
227.12785	1.6
231.21118	0.8
235.08173	3.9
235.17087	1.7
235.58734	0.7
239.13081	0.8
247.09554	2.4
247.20773	1.2
253.09274	1.5
256.13129	0.9
256.23834	0.8
263.07681	0.8
263.20245	1.4
265.10611	2.1
265.21835	0.9
273.18790	1.2
275.20181	7.0
277.21780	1.6
287.07635	1.3
291.19650	19.9
292.20038	2.2
293.21234	100.0
294.21625	7.7
305.08783	1.1
309.20709	99.1
310.20984	7.2
361.97986	0.8
379.12384	1.6
397.13504	33.9
398.13684	1.4
415.14554	20.4
416.14621	0.9
585.41974	3.6
689.33905	2.0
691.34808	2.2
707.34064	2.4
943.28717	0.9
983.53503	1.5
984.48047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.7
69.81734	1.6
71.01252	16.9
72.99189	1.3
73.02817	2.8
73.15213	0.4
81.03333	0.7
83.01276	1.5
83.04913	0.5
85.02830	3.2
86.88676	0.3
87.00755	3.2
89.02311	12.5
95.01272	1.1
95.04907	0.4
96.95917	0.6
97.02824	2.4
97.06458	0.5
98.19906	0.5
99.00760	0.7
101.02321	10.4
109.02895	0.4
109.06464	0.8
109.41508	0.4
111.00722	0.5
111.04401	0.6
111.08038	8.0
113.02325	6.1
113.09597	0.4
119.03384	3.8
123.08167	0.4
125.02346	4.2
127.07556	1.0
130.48866	0.4
131.03429	0.9
139.03964	0.5
139.23402	0.4
141.09109	0.6
141.74359	0.4
143.03372	2.4
145.04964	0.3
149.04497	0.5
151.11172	0.6
153.12767	0.6
155.10620	0.4
161.04446	2.5
167.10701	0.9
169.12250	3.7
171.10164	1.1
179.05545	3.6
179.10622	0.5
179.14365	0.8
181.12247	1.2
183.13745	0.4
191.14375	0.5
193.12344	0.5
195.13838	8.2
196.14500	0.8
197.11761	38.6
198.12051	1.7
199.13290	2.0
205.12312	0.5
209.11777	0.6
211.13330	5.5
212.13715	0.5
217.07074	0.4
221.06581	2.0
223.13316	5.9
224.13863	0.6
227.12888	1.0
228.13571	0.7
231.21199	0.4
235.08206	3.2
243.27583	0.5
253.09160	1.5
256.13083	1.0
263.07617	0.5
263.20111	2.8
265.18155	0.9
273.18420	0.7
275.20166	5.5
277.21756	0.5
287.07764	1.3
289.18082	1.0
291.19669	13.2
292.20139	0.6
293.21216	100.0
294.21478	6.8
305.08807	1.9
309.20691	90.1
310.21024	6.8
322.58896	0.4
323.09879	0.6
333.20715	0.7
379.12134	1.9
397.13480	36.7
398.13855	2.2
415.14557	25.0
415.18979	0.3
416.14899	0.9
585.41644	3.2
586.41663	0.7
673.34058	0.6
686.62445	0.5
689.33899	1.5
691.35406	3.8
692.34497	0.4
707.34601	2.5
708.35284	0.5
983.54962	0.8
1003.98633	0.5
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
69.03339	1.2
69.35127	0.2
71.01256	14.0
71.04893	1.3
72.01522	0.2
72.99190	1.6
73.02824	1.8
75.00727	0.3
80.02540	0.8
81.03332	1.4
83.01244	1.6
83.04893	0.6
85.02824	3.2
85.99966	0.2
87.00756	3.9
89.02318	12.4
90.02631	0.3
95.01284	1.3
95.04899	0.8
96.95871	0.3
97.02829	1.5
97.06458	0.7
98.03615	0.4
98.20610	0.5
99.00746	1.0
101.02323	10.2
106.04096	0.5
109.02847	0.3
109.06480	6.0
111.00755	0.5
111.04414	2.4
111.08041	1.0
113.02328	6.4
114.02629	0.3
119.03400	3.3
121.02850	0.3
121.06523	0.3
121.10108	0.6
123.08032	1.1
125.01448	0.4
125.02345	3.9
125.09668	0.3
127.07533	1.0
131.03366	0.6
135.08031	0.5
137.09541	0.4
139.03883	0.3
141.01820	0.4
141.09027	0.4
143.03374	2.3
143.10677	0.9
145.04938	0.3
145.06488	1.0
149.04425	0.5
149.05962	0.5
149.09586	1.0
151.11154	0.6
161.04463	2.9
163.11177	0.4
167.10706	1.7
169.12227	0.3
171.10158	0.6
177.12767	0.5
179.05513	4.2
179.10693	0.8
179.14383	0.5
181.12282	0.4
191.14294	0.5
195.13843	8.0
196.14409	0.4
205.12285	0.5
205.15916	0.4
209.11777	0.4
211.13338	0.6
221.06598	1.6
223.13333	4.9
225.14810	0.3
228.13596	0.6
229.39615	0.3
233.15407	0.3
235.08200	3.3
235.13342	0.5
245.19075	4.4
247.70850	0.3
249.14832	0.5
251.16487	0.6
253.09273	1.1
256.13309	0.6
265.21747	0.4
271.17062	0.9
273.15030	0.4
275.20139	5.0
276.20413	0.5
277.09317	0.3
287.07709	1.1
287.16470	2.2
289.18091	82.9
290.18439	6.8
291.19522	0.4
293.21216	100.0
294.21539	8.2
305.08838	1.2
307.19144	5.1
308.19443	0.4
309.20670	0.4
317.21152	0.4
323.09811	0.8
327.29074	0.3
331.19250	0.5
343.08167	0.3
379.12460	2.1
397.13501	33.6
398.13840	2.2
415.14587	13.8
415.18961	0.2
416.14951	0.8
565.39166	0.4
669.31470	1.5
673.34277	0.6
687.32214	3.1
688.32721	0.9
691.35889	1.2
692.36127	0.4
963.53094	0.3
981.53528	1.0
982.53394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54636	0.4
69.03317	1.6
71.01253	15.6
72.99165	1.4
73.02804	2.5
78.95770	0.9
80.02528	0.5
81.03341	1.9
83.01257	2.4
83.04876	1.5
85.02818	4.4
85.88046	0.4
87.00755	4.4
89.02316	14.0
90.02695	0.4
93.03323	0.5
95.01252	1.5
95.04900	1.3
96.95877	1.9
97.02840	3.2
97.06493	2.1
99.00761	1.2
99.04385	0.5
101.02324	10.7
109.06451	1.1
110.03627	0.7
111.00784	0.5
111.04368	0.5
111.08036	0.6
113.02325	6.5
113.09574	0.5
119.03398	4.2
119.04884	0.4
121.06467	0.5
123.04391	1.9
123.08067	0.9
125.02332	5.0
125.09637	3.4
131.03406	0.7
135.08066	0.8
137.09622	1.9
139.03856	0.5
141.01797	0.5
141.12790	0.5
143.03409	2.4
149.09633	0.6
161.04471	3.4
161.09645	0.5
163.07646	0.4
163.11176	4.7
165.12778	0.7
167.03462	0.4
171.10176	0.6
179.05548	4.4
179.10808	0.7
179.14311	0.8
181.12228	1.3
182.47665	0.3
183.13803	0.6
185.11725	3.5
191.10635	0.5
191.14313	4.8
195.13846	7.0
197.11740	0.5
205.12315	0.7
207.10182	2.8
209.11754	9.5
211.13312	3.3
217.15910	0.7
221.06587	1.6
221.11902	0.6
223.13330	5.8
224.13858	0.4
225.11264	1.5
227.12839	0.7
228.13644	0.7
235.08194	3.8
237.11298	3.1
245.16713	0.8
245.19086	10.8
246.19398	0.6
247.17078	0.4
253.09280	1.3
256.13113	1.1
263.07599	0.7
263.20126	2.9
271.16989	1.3
275.20151	5.2
277.21530	0.7
281.21185	1.1
287.07755	1.4
287.16525	0.5
289.18091	47.3
290.18454	3.8
291.19650	1.2
293.21216	100.0
294.21545	9.2
305.08679	1.1
305.17435	0.8
307.19138	44.3
308.19412	3.8
309.20847	1.0
317.21368	0.6
323.09692	0.9
325.20258	0.8
331.19293	0.5
379.12457	1.7
397.13477	32.5
398.13519	2.7
415.14548	15.8
416.14908	0.9
607.26276	0.6
673.33716	0.5
687.32117	2.1
691.34802	0.8
705.33154	3.1
963.50269	1.5
964.51343	0.5
981.53973	3.7
982.55005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.2
71.01250	1.2
71.54583	0.6
72.75214	0.5
73.02823	4.5
85.02819	0.6
87.00758	1.6
91.05445	0.8
93.03308	0.5
97.06488	1.3
101.02325	10.8
109.02845	3.8
113.02332	0.7
119.04949	0.7
121.02866	2.4
123.04416	0.6
126.73229	0.4
133.02866	0.5
134.03662	1.2
135.04420	10.4
136.04813	0.5
137.02341	0.8
143.04890	1.1
145.02882	0.9
145.06482	0.8
146.03656	1.8
147.04439	3.3
149.05991	3.7
150.03105	0.8
156.05748	2.4
158.03671	0.5
158.07309	0.5
159.04420	4.8
159.08148	0.6
160.05183	0.5
161.02339	0.6
161.06001	1.3
161.28729	0.4
165.05521	0.6
169.06517	0.7
169.10341	0.4
171.04443	2.8
171.08067	3.7
172.05217	5.6
173.02341	1.7
173.05988	4.6
174.03151	1.6
174.06744	2.3
175.03967	0.8
175.07578	6.9
184.05247	0.4
185.06009	4.7
186.06776	6.5
187.03990	1.2
187.07571	8.9
188.04762	0.6
188.08105	0.8
189.05580	0.6
189.09155	2.8
190.02618	0.5
190.09842	0.9
190.79404	0.4
191.03424	3.8
191.05042	0.6
193.05000	0.6
195.04466	0.6
196.05240	4.4
197.06026	3.5
198.06639	0.9
199.03986	3.3
199.07588	11.4
199.11234	0.8
200.04755	2.2
200.08345	6.1
201.05511	2.0
201.09140	17.0
202.06303	6.8
202.09517	1.4
202.84207	0.4
203.06987	2.3
204.07758	0.5
209.05898	0.5
209.09612	0.6
210.06796	3.1
211.07552	1.2
211.11162	0.7
212.08185	0.5
213.05507	1.8
213.09055	0.6
214.06326	12.5
214.09853	0.7
215.01337	0.4
215.07085	12.8
215.10651	6.7
216.04092	0.6
216.07639	1.4
216.11336	1.1
223.07628	2.8
224.08290	2.1
225.05779	0.6
225.09161	15.9
226.09897	6.1
227.10632	3.6
228.07864	3.3
229.08638	10.5
230.08939	0.8
231.06586	2.3
234.08974	2.6
235.09706	0.6
237.09200	0.6
239.10736	0.7
241.08609	0.6
243.10242	33.1
244.07382	0.8
244.10922	7.8
245.04282	0.5
245.08182	7.0
245.11749	2.1
246.08606	0.9
265.12790	0.5
271.02542	0.6
271.09756	17.0
272.10104	1.8
274.58740	0.4
275.12939	1.3
276.13553	0.5
287.09265	3.4
288.09918	2.3
289.10684	0.7
290.11737	0.6
297.14978	1.6
299.01920	0.7
302.11472	0.7
311.12979	1.2
313.03564	1.0
314.04156	1.0
319.12149	0.5
323.16495	1.9
341.17633	1.2
343.08261	2.1
344.08646	1.0
373.16666	1.2
385.16577	15.1
386.16742	2.0
417.19205	0.7
429.15433	4.3
430.15817	0.6
445.44934	0.4
461.18228	100.0
462.18582	13.7
462.25040	0.8
475.16089	4.5
476.16641	0.7
645.79364	0.5
981.23755	2.1
982.26227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	2.4
69.03323	1.9
71.01255	34.2
72.99173	3.1
73.02821	10.1
75.00749	14.5
75.01401	0.5
81.03307	0.6
83.01263	4.9
84.02094	0.4
85.02824	27.0
85.99963	1.6
86.03202	0.4
87.00755	12.4
87.04387	2.3
89.02321	4.3
95.01255	3.5
96.95888	0.6
97.02808	0.5
98.19756	0.9
99.00760	18.5
101.02323	4.2
103.03874	2.2
111.00745	0.8
112.01495	0.6
113.02325	12.5
115.00249	0.5
115.03898	2.3
119.03379	0.7
121.02877	0.7
122.03658	0.7
125.02314	0.6
129.01823	0.6
131.03391	8.1
134.03645	0.8
135.04364	1.1
137.02318	1.4
139.00246	1.0
143.03406	5.5
145.04980	0.9
147.04416	2.6
148.05045	0.6
149.06027	0.6
157.01337	1.5
161.02335	0.6
163.06017	2.0
172.05121	0.5
175.03899	1.1
189.05371	0.6
192.04214	0.8
193.04941	0.6
197.05904	0.7
205.07068	3.1
209.11746	1.3
211.13329	0.8
215.07036	0.8
218.02150	0.6
223.06081	0.5
231.06540	0.5
247.08095	0.5
253.05121	0.7
297.15063	0.8
313.03360	0.5
337.14087	0.4
343.08139	0.8
355.08319	0.6
426.60306	0.6
439.35764	0.9
481.36890	2.3
489.11902	1.0
490.12399	0.7
509.39810	0.6
551.40875	1.0
604.30066	0.5
625.43109	0.5
641.40662	0.8
689.42755	1.2
697.12738	0.5
895.51257	0.8
896.50476	0.5
919.51190	2.4
920.50336	0.7
922.52032	0.9
937.51654	100.0
938.51953	26.8
938.80432	0.7
946.85059	0.6
962.38416	0.6
962.87201	1.4
976.46643	0.5
981.51038	22.2
982.51746	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	979.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36577	2.9
69.36994	4.9
71.01247	3.3
77.77065	1.1
79.53352	0.9
85.02812	1.4
87.00752	14.1
89.02324	2.3
93.03316	1.6
95.01263	1.5
99.00762	3.4
109.02808	2.7
113.02319	2.0
121.02874	5.6
123.00794	4.8
123.04389	1.7
124.01521	1.5
124.20116	1.1
125.02316	2.7
125.80805	0.9
130.99725	1.2
133.02831	1.5
134.03627	1.0
135.04381	3.1
137.02342	2.6
138.03113	3.0
139.03842	1.4
145.02847	1.7
146.03622	3.6
147.04434	9.2
149.06003	1.3
151.00267	1.7
151.03862	1.0
152.04568	1.0
159.04424	25.4
160.05261	5.3
161.02380	10.1
161.05956	9.0
162.03119	4.3
163.03888	4.4
173.02345	2.9
173.05975	8.7
174.03032	1.9
175.03917	10.6
176.04613	0.9
177.01822	0.9
187.03944	2.7
187.07533	1.4
188.04704	1.2
189.12828	1.0
191.03459	1.0
191.05540	1.8
193.04872	1.1
197.06029	1.3
199.03978	1.1
199.07571	1.4
203.03407	3.6
204.04120	2.0
205.05005	1.3
215.07068	1.4
225.05531	18.5
226.06122	1.3
227.03503	1.7
227.07188	1.4
228.04253	1.7
229.01236	1.1
238.54463	1.0
241.04941	2.8
241.08620	1.3
243.02957	1.1
243.06581	3.5
248.41046	1.2
251.03571	3.0
251.07124	3.5
252.04112	1.1
253.05046	18.2
254.05708	3.2
255.02884	2.7
255.05203	1.1
256.03668	3.2
257.04315	1.2
257.08075	2.7
267.06598	2.4
268.07159	1.4
269.04559	9.5
269.07581	1.3
270.05261	3.0
271.02542	6.0
271.06091	26.2
271.08911	1.7
272.06567	1.7
277.05048	3.6
279.02982	4.5
279.06580	3.5
280.07230	1.1
281.04562	12.7
282.05197	3.2
282.08792	1.5
284.06812	3.0
285.07593	1.9
286.08423	20.2
287.08975	2.0
293.04541	1.0
295.06073	3.1
296.03275	2.1
296.06818	3.1
297.03995	9.4
297.07690	9.1
299.09256	4.4
300.02679	10.2
301.03439	1.5
301.07593	1.8
301.10825	21.0
302.10992	1.6
305.04547	2.3
307.05954	1.1
311.05661	3.1
311.09198	2.4
312.06354	10.1
312.10034	7.7
313.03696	2.0
313.07089	4.1
313.10443	1.4
314.07950	2.0
323.05591	5.5
325.07120	8.6
325.10593	1.6
326.07843	6.0
327.08701	29.1
327.12390	10.9
328.09393	2.5
329.10257	6.9
337.07095	3.1
338.07938	3.2
339.08585	1.7
343.08270	2.1
343.11819	4.4
353.10318	6.6
355.08307	4.7
357.02570	1.4
359.07870	1.4
369.09949	2.0
371.11313	6.9
387.07138	3.4
397.09344	6.8
399.07120	1.0
405.65442	0.9
415.10141	1.8
441.08209	3.3
459.09418	7.9
460.09061	1.1
595.12897	1.6
904.44128	1.2
917.23889	2.5
919.32397	3.3
943.32703	1.4
979.34503	100.0
980.34961	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	979.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61103	0.2
68.65415	0.2
69.52116	0.7
69.52522	0.7
71.01266	0.3
87.00768	0.8
93.03365	0.3
95.01300	0.2
101.02329	0.2
102.09830	0.2
113.02341	0.4
121.02835	0.6
123.04451	0.3
134.03624	0.9
137.02335	0.6
139.27788	0.2
147.04442	0.9
149.02341	0.5
149.06041	0.5
150.03128	0.9
151.00266	0.2
160.01567	0.5
161.02408	0.3
161.06125	0.2
163.00299	0.2
163.03830	0.2
165.05531	0.6
173.05969	0.3
175.03920	0.7
176.01039	0.2
177.01849	0.3
177.05499	0.2
178.02657	0.2
179.81294	0.2
187.03905	0.2
191.03410	0.2
193.05011	1.1
195.06526	0.2
198.03168	0.3
200.01067	0.3
201.01848	0.3
202.02682	0.3
210.03183	0.8
213.01775	0.2
213.05496	0.2
214.02625	0.4
215.03526	0.3
225.01971	0.4
225.05496	1.2
226.02701	1.4
227.03372	0.4
229.01453	0.6
230.02246	0.3
239.03496	0.7
240.04228	0.4
241.01404	0.3
241.05055	0.7
242.02202	1.4
243.03018	0.4
253.01302	0.6
254.02174	1.6
255.02950	0.7
256.03784	0.3
257.04535	0.3
267.02975	0.8
268.03503	0.5
269.00983	0.7
269.04398	1.0
270.01688	5.3
270.04678	0.3
271.02307	0.6
281.00894	0.6
282.01605	0.5
283.02548	1.7
284.03223	1.4
285.04050	13.2
286.04337	0.7
295.02457	0.5
296.03201	0.3
297.00687	0.5
297.04050	3.0
297.07394	0.3
298.01175	4.0
298.04306	0.4
299.01785	0.6
299.05624	2.9
300.02704	0.3
300.06067	0.3
305.04355	0.2
311.05487	0.4
312.02866	1.7
313.03543	70.7
314.03915	5.4
314.07217	0.2
327.05109	5.5
327.08429	0.3
328.05875	29.8
329.06262	2.9
333.09720	0.3
342.07486	2.1
343.08215	100.0
344.08557	7.9
344.11862	0.1
351.10901	0.5
363.05249	0.3
379.00543	0.3
379.10233	0.2
409.05634	0.3
420.08234	0.2
448.08282	0.2
451.16162	0.3
465.08173	0.6
583.13043	0.2
597.13544	0.4
637.18219	0.3
655.10742	1.0
667.14758	0.3
685.15619	40.3
686.15985	6.3
961.30341	0.3
979.25092	43.7
980.25397	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	979.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	3.5
69.03333	1.0
71.01257	24.6
71.29181	0.3
72.01603	0.5
72.99187	2.2
73.02825	6.6
75.00749	11.8
78.95781	0.6
81.03315	0.5
83.01260	3.3
85.02827	18.8
85.99976	1.8
87.00756	9.1
87.04409	2.2
89.02326	3.2
89.38425	0.4
91.83936	0.4
95.01273	2.8
95.04977	0.4
97.02889	0.6
99.00763	12.5
99.04424	0.6
101.02330	7.3
103.03908	0.8
107.65453	0.4
107.88073	0.4
111.00803	0.5
113.02344	8.7
115.03889	1.5
119.03391	0.7
121.02859	0.6
123.04414	1.6
131.03384	5.5
143.03403	4.3
145.04973	0.9
147.04366	0.6
149.06003	1.2
150.06325	0.5
157.01349	0.8
157.89690	0.4
161.04475	0.5
163.06027	1.0
164.04776	0.8
171.54842	0.4
193.05006	0.7
205.07138	1.4
208.48065	0.4
209.11836	0.7
229.96269	0.6
247.08109	0.4
255.05013	0.7
277.21790	1.0
285.14505	0.5
289.14648	0.5
289.18063	0.5
291.19788	0.6
293.21170	1.0
297.14893	0.5
305.17834	0.5
307.15494	0.5
313.14322	0.7
315.15805	0.7
331.15692	0.6
397.13483	1.0
523.37976	2.8
524.38141	0.6
593.41772	1.0
943.47125	0.5
961.49188	3.0
962.49579	0.7
979.52625	100.0
980.53009	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	979.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	1.8
71.36311	0.5
71.52702	0.6
78.32723	0.5
82.06404	0.6
85.02828	0.7
87.00742	2.4
89.02308	0.9
92.26238	0.6
93.03341	0.7
99.00784	0.9
101.02305	1.2
101.67698	0.5
108.02058	1.4
109.02782	0.8
113.02341	0.7
121.02849	1.3
123.04362	0.8
125.02309	1.3
133.02841	1.0
134.03612	1.3
135.00710	0.6
135.04366	1.0
137.02327	1.7
145.02817	0.8
147.04390	1.7
149.05943	0.8
159.04433	1.2
160.01578	1.2
161.02316	0.8
163.00246	0.9
165.01901	0.7
165.05554	0.7
173.05968	1.3
175.03984	1.2
177.01872	1.0
178.02605	0.7
189.01915	0.6
190.99828	1.1
191.03401	0.7
193.04976	2.2
199.07614	0.7
203.03305	0.8
206.02103	0.7
210.03178	0.8
214.02582	0.7
215.07210	0.9
225.05443	0.8
225.09178	1.0
226.02614	0.9
227.03464	0.7
229.01305	0.7
240.94557	0.6
241.01323	0.8
241.04927	0.8
242.02167	1.8
242.84108	0.6
243.02966	0.7
243.10196	1.9
243.73505	0.6
253.01469	0.7
254.02106	1.1
255.03125	1.1
257.04526	0.5
267.03036	0.6
269.00836	0.9
269.04330	1.0
270.01752	3.2
271.02350	1.1
271.09772	0.7
283.02365	1.1
284.03110	2.1
285.04074	7.6
286.04434	1.0
297.00861	0.7
297.04025	2.5
298.01157	2.2
299.02231	0.8
299.05579	3.0
300.02621	0.9
300.05792	0.6
301.10767	1.0
312.02646	1.1
313.03543	36.3
314.03973	3.1
314.07037	0.5
327.05035	4.5
328.05853	14.5
329.06238	1.7
342.07312	2.2
343.08215	50.2
344.08582	5.0
347.01700	0.8
361.03625	1.1
363.05182	0.6
375.01215	1.3
376.01959	0.7
377.07736	0.8
385.16116	0.8
390.03796	1.5
391.04041	1.1
391.08359	1.5
403.00647	1.8
405.06497	0.6
407.04105	1.3
418.03354	4.6
419.03928	4.2
429.15591	4.3
433.05585	2.4
434.06323	1.2
447.16745	0.6
448.08032	10.1
449.08658	5.3
565.10614	0.6
609.10211	0.5
637.08929	1.1
637.17865	1.6
655.11401	1.9
667.14185	1.3
671.14215	0.8
685.15570	3.1
743.17969	1.3
979.25049	100.0
980.25409	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	1.7
71.53607	0.9
71.63528	0.6
75.00766	0.6
76.76913	0.6
83.01276	0.6
85.02808	0.7
87.00756	3.2
89.02346	0.8
93.03313	0.9
101.02293	0.8
108.02040	1.8
109.02786	0.6
121.02786	1.0
123.04447	0.9
125.02306	2.1
130.99747	0.6
134.03615	2.5
136.01526	0.7
137.02292	1.6
146.97908	0.6
147.04427	2.2
149.02338	1.0
149.05940	2.5
161.02322	0.9
163.00252	1.3
163.03917	1.5
164.00967	0.9
165.01833	0.9
165.05420	1.0
172.36850	0.7
175.02478	0.6
175.03912	0.8
177.01814	1.4
179.03310	0.9
191.03487	0.7
192.04144	1.1
193.05057	3.2
198.03082	0.8
201.01775	0.8
206.02092	0.8
209.11612	0.8
223.06085	1.1
226.02582	1.0
227.03452	1.0
242.02103	1.1
245.25002	0.7
255.02888	0.7
269.00742	1.0
269.04510	0.8
270.01651	3.2
281.04456	0.6
283.02441	1.0
283.05988	1.1
284.03214	1.9
285.04034	6.6
297.00812	1.2
297.03995	3.2
297.07126	0.8
298.01038	1.5
299.01843	1.5
299.05591	2.9
300.02664	1.0
301.07095	0.7
311.02039	0.7
312.02670	1.6
313.03549	35.4
314.03796	3.5
327.05023	4.3
327.08563	1.5
328.05869	12.2
329.06357	1.3
342.07401	2.7
343.08197	46.9
344.08633	4.1
347.01974	1.7
361.03473	1.1
375.01324	1.2
376.01907	0.7
383.07947	0.6
390.03571	2.2
391.08389	0.9
395.07697	1.2
403.00867	1.4
418.03326	4.4
419.03897	2.5
420.03973	0.7
433.05588	2.2
434.06107	0.9
448.07925	8.7
449.08844	4.4
473.13837	0.6
590.99261	0.7
637.09314	1.4
637.18542	1.5
655.11682	2.5
685.14819	1.6
712.23724	0.6
713.13464	1.3
743.18213	1.1
769.43121	0.7
979.24982	100.0
980.25281	21.7
980.44714	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	979.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52207	3.5
71.52589	2.4
75.11333	2.3
87.00755	15.5
93.03304	2.8
99.00737	3.1
132.01996	4.1
133.02798	3.3
163.03940	4.7
187.03874	4.2
211.03900	3.3
212.04692	3.6
213.05461	3.0
215.03514	4.3
224.75644	2.5
226.47261	2.3
227.03441	11.5
228.04228	3.8
229.05009	12.1
240.04274	2.4
241.05034	5.5
242.02293	2.6
243.02942	5.0
244.03712	4.5
251.03461	3.0
253.04982	4.1
255.02867	9.0
255.06575	5.9
256.00040	3.9
256.03622	4.2
257.04605	4.5
258.01587	7.5
269.00934	3.3
269.04517	4.2
271.02420	9.0
272.03271	3.6
273.04056	6.9
281.04504	4.0
284.03149	2.6
285.04074	3.7
293.04419	3.9
297.03937	5.1
301.56140	2.4
307.06265	3.3
311.02084	2.4
311.05643	4.7
319.06116	3.1
333.07578	6.6
334.08411	4.1
349.07062	11.4
359.05627	3.2
361.07153	3.0
363.04715	2.6
377.06696	6.5
378.07242	5.4
388.05765	4.4
389.06577	5.2
391.04633	5.3
402.03900	4.0
403.04343	5.1
405.06140	8.7
406.06924	62.8
407.07681	34.5
408.07907	3.0
415.07764	2.8
432.08347	7.4
433.09000	5.6
448.08203	3.7
458.06696	2.7
539.08301	3.8
747.84003	2.8
847.22705	6.2
917.23016	5.5
919.21295	6.7
920.22931	3.2
943.21118	6.0
963.49280	2.8
979.23541	100.0
980.23761	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	979.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	6.0
71.13675	0.3
71.14011	0.3
71.75402	0.2
72.99178	0.3
73.02819	3.1
73.04562	0.2
81.03362	0.2
83.01244	0.2
85.02812	0.6
87.00748	1.2
89.02317	6.8
90.51759	0.2
96.95923	0.4
99.00761	7.6
101.02326	2.6
108.02014	0.3
113.02322	0.8
119.04866	0.4
121.02823	0.5
125.02335	0.4
131.03386	1.5
134.03656	0.7
137.02353	0.5
138.97220	0.3
147.04407	0.7
148.17706	0.3
149.02428	0.3
149.04457	3.2
149.05939	0.9
150.03091	0.6
151.00287	0.5
152.01007	0.3
154.04349	0.2
156.91876	0.3
160.01515	0.6
161.02332	0.3
163.03893	0.3
165.05460	0.7
175.03839	0.6
177.01862	0.7
178.02534	0.4
191.05531	1.8
193.05017	1.5
204.14236	0.2
210.03084	0.3
218.19115	0.3
222.61876	0.3
225.05544	0.3
226.02600	0.4
237.04008	0.4
253.01337	0.4
255.02936	0.3
256.03589	0.3
268.00134	0.6
268.03958	0.3
269.00934	0.5
269.04480	0.5
270.01636	1.1
271.02307	0.2
283.02487	0.6
284.03174	0.4
285.04050	1.9
295.02402	0.3
297.04037	1.6
298.01251	0.3
298.04816	0.5
299.05685	0.5
299.09177	0.4
312.02820	0.5
313.03635	10.7
313.07172	1.9
314.03824	0.8
314.07483	0.3
327.01465	0.5
327.05048	0.9
327.08575	0.3
328.05859	2.9
329.06339	0.4
341.10403	0.4
343.08224	10.1
343.12381	0.5
344.08585	0.9
357.06204	0.5
373.03329	0.4
389.12543	0.5
417.02783	0.3
464.04883	0.3
491.04138	0.3
520.04517	0.5
535.06567	0.3
536.03955	0.3
563.05188	0.3
564.02802	0.5
574.09143	0.3
578.06274	0.3
579.05566	2.3
580.05890	0.6
583.36139	0.3
593.07880	0.5
594.07843	0.5
607.05115	5.8
608.05341	1.1
609.10431	2.3
610.10596	0.4
621.06842	0.9
622.07318	1.0
623.12006	0.8
637.09857	28.2
638.10181	5.5
651.10858	1.7
652.12274	0.8
655.10779	0.5
667.14557	100.0
668.14886	17.3
685.03821	0.5
685.15631	9.4
686.15894	1.5
691.76575	0.3
961.41785	0.6
979.24335	4.8
980.25073	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	979.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01233	0.4
71.54509	0.4
73.02798	0.3
83.75956	0.2
87.00755	1.0
89.02277	0.3
93.03319	0.3
97.02856	0.3
97.06491	0.5
109.02866	0.4
121.02847	1.3
122.03624	0.4
133.02826	0.3
134.03619	1.0
135.00822	0.3
137.02339	0.5
147.04431	1.0
149.02296	0.4
149.05981	0.6
150.03105	0.7
161.02368	0.6
163.00308	0.3
163.03976	0.5
165.05461	0.6
175.03880	0.4
175.55013	0.3
177.01773	0.3
178.02715	0.3
191.03442	0.5
193.04974	1.2
195.06673	0.3
198.03157	0.5
210.03192	0.6
225.05495	1.0
226.02626	1.2
229.01405	0.3
240.04231	0.4
241.01170	0.2
241.04999	0.8
242.02095	1.3
253.01355	0.5
254.02197	1.3
255.02898	0.5
256.03656	0.3
269.00876	0.7
269.04568	1.2
270.01688	5.0
271.02405	0.7
281.01099	0.6
282.01456	0.4
283.02444	1.4
284.03183	1.5
285.04034	10.5
286.04303	0.8
295.02396	0.6
297.00558	0.6
297.03992	3.4
298.01196	3.2
298.04544	0.4
299.02347	0.5
299.05542	2.4
300.02661	0.5
311.05576	0.5
311.37543	0.3
312.02795	1.0
312.06418	0.3
313.03525	66.9
314.03876	4.5
327.05106	5.2
328.05859	28.1
329.06192	2.1
333.09583	0.4
342.07468	2.6
343.08197	100.0
344.08530	8.9
351.10818	0.9
369.11868	2.2
370.12134	1.2
371.12354	0.3
391.04572	0.4
464.07315	0.3
465.08432	0.6
584.10974	0.3
637.18127	0.4
655.11328	0.8
685.15594	35.0
686.15857	5.8
979.25018	39.2
980.25409	9.8
980.41711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.3
71.01252	1.2
73.02820	0.3
74.53204	0.2
80.06364	0.2
81.03358	0.5
83.04903	0.9
85.02819	2.5
87.00768	0.7
89.02293	0.2
93.03332	5.0
95.01267	1.8
99.00734	0.2
107.01270	1.9
109.02841	0.4
111.00761	0.4
111.04395	2.4
115.90886	0.2
117.03322	1.2
119.04916	42.9
120.05245	1.8
123.00786	0.7
124.01575	0.3
125.02325	0.4
127.03928	0.6
129.01839	0.4
137.02313	0.9
145.02852	4.2
146.03241	0.3
149.02315	1.2
151.00275	4.5
155.03392	2.4
159.91185	0.2
161.02330	0.5
163.03917	44.6
164.04262	2.1
168.66019	0.2
173.04469	9.8
174.04849	0.3
177.01784	0.4
191.05537	18.4
192.05916	0.6
210.03133	0.5
213.05569	0.3
221.06039	0.2
225.05499	0.6
226.02692	0.8
227.03329	0.2
229.04938	0.3
230.02335	0.2
239.03380	0.3
240.04118	0.2
241.05013	0.6
242.02179	0.7
243.02869	0.2
254.02252	0.9
255.02905	0.4
255.06610	1.2
256.07068	0.2
257.04498	0.2
266.05679	0.3
269.04553	0.7
270.01691	2.9
271.02167	0.5
281.01172	0.4
281.08231	1.1
283.02478	0.6
284.03177	0.4
285.04019	6.2
286.04507	0.3
293.04614	0.3
295.02307	0.2
296.10522	0.8
297.04034	1.7
298.01224	2.5
298.04419	0.3
299.05569	1.0
300.02884	0.5
311.12894	0.9
312.02676	0.3
313.03528	36.7
314.03955	3.1
314.07574	0.3
315.05066	0.3
316.05524	0.2
319.08264	1.9
327.05084	3.0
328.05862	16.8
329.06259	1.2
329.10016	0.4
330.01208	0.2
337.09274	13.3
338.09579	0.8
343.08203	100.0
344.08545	8.5
463.13947	8.1
464.14682	0.9
489.12155	0.5
499.58032	0.2
507.12973	3.2
508.13199	0.6
519.66449	0.2
637.17767	5.6
638.18079	1.0
663.17096	1.6
664.17487	0.3
681.18207	10.3
682.18787	1.9
741.18451	0.5
772.62335	0.2
787.71759	0.2
801.22156	1.4
802.22510	0.4
975.27637	7.3
976.27979	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	977.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	1.1
70.45399	0.6
71.01242	3.2
73.02819	0.7
79.05387	0.8
83.04887	0.4
85.02813	0.7
87.00754	38.2
88.01114	0.4
88.98669	0.5
89.02312	1.6
91.05407	5.4
93.03348	3.8
95.01250	0.8
95.04894	3.4
101.02328	1.6
101.03876	0.4
103.05402	1.9
105.03350	4.4
108.02077	2.4
111.00780	0.5
113.02328	0.8
117.03290	0.4
119.03371	0.5
119.04919	6.3
121.02847	20.4
122.03645	14.3
123.04432	3.8
124.01549	0.7
125.09443	0.4
129.03369	1.0
130.99767	16.4
133.02818	0.5
135.04436	2.1
136.01581	0.4
137.02347	4.5
139.03909	1.9
144.24762	0.4
145.02856	3.6
146.03656	2.7
147.04428	28.6
148.01636	0.4
148.05244	4.7
149.02356	8.2
149.05977	1.6
150.03160	3.0
151.03932	0.6
154.02640	1.7
161.04482	0.6
162.03123	0.5
163.03915	4.7
164.04700	4.5
165.05513	1.4
171.10268	0.8
173.02350	0.8
173.05940	0.5
174.03149	0.6
183.13832	4.2
186.92073	0.5
191.03441	4.8
192.04196	3.7
193.04971	1.2
193.12276	1.6
195.13829	3.5
209.11768	0.6
211.13345	35.4
212.13718	2.1
217.01375	4.3
218.02168	6.5
219.02643	0.5
223.13339	1.4
235.08221	0.6
253.09265	3.0
254.04285	10.2
255.04829	0.6
275.20139	1.8
277.21951	0.5
287.16449	0.8
293.21240	13.4
294.21527	1.0
315.15970	1.2
323.16272	0.4
341.17621	0.9
342.07233	0.5
343.08173	1.3
447.22256	0.5
655.52417	0.4
723.43787	0.5
887.47900	0.6
915.47522	1.6
917.45258	3.5
918.46246	0.6
941.44702	0.9
959.46252	6.4
960.46674	1.5
977.47522	100.0
978.47894	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	975.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79556	0.1
70.79839	0.1
71.01247	0.5
71.02393	0.2
72.47116	0.1
72.99181	0.1
73.02829	0.3
76.65769	0.1
77.46088	0.1
83.01262	0.1
85.02828	0.2
87.00765	0.4
89.02349	0.1
93.03387	0.1
95.04923	0.3
99.00777	0.1
101.02329	0.3
105.03362	0.1
113.02353	0.2
121.02837	0.2
123.04411	1.3
133.02856	61.8
134.03174	2.3
137.02362	0.3
145.02914	0.1
146.03641	0.2
147.04424	0.9
148.05194	0.4
149.02417	0.1
153.89661	0.1
159.04480	0.2
163.07471	0.1
163.61072	0.1
165.90034	0.1
172.05191	0.3
173.06020	0.4
174.06743	0.2
180.81010	0.1
184.42317	0.1
185.05920	0.1
186.06769	0.1
187.03943	0.2
187.07588	0.2
189.05441	0.1
191.03632	0.1
192.04204	0.1
193.04970	0.2
195.63773	0.1
201.05498	0.2
201.09164	0.2
209.06020	0.7
209.11690	0.1
211.13313	0.3
213.05699	0.1
215.07190	0.2
216.07884	0.2
218.02103	0.2
223.07588	1.6
224.08383	2.5
225.08795	0.2
228.03932	0.1
239.10750	100.0
240.11081	7.0
256.07477	0.3
285.15356	0.1
297.14960	0.3
311.13120	0.1
313.03583	0.1
315.15973	0.2
323.16495	0.3
331.07742	0.1
341.17700	0.5
343.08145	0.4
417.73505	0.1
443.17145	0.5
444.17484	0.2
683.41699	0.1
862.36212	0.1
887.48486	0.1
899.28711	0.1
931.46613	0.3
957.44275	0.3
975.46063	1.6
976.45856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.9
69.44325	3.2
71.01261	3.6
73.02829	0.4
81.03350	1.3
83.01247	0.5
83.04906	1.3
85.02837	1.7
86.19656	0.4
87.00743	1.0
89.02341	0.8
89.03848	0.5
93.03339	29.5
94.03699	0.4
95.01270	1.7
101.02305	0.7
107.01292	1.5
109.02850	1.2
111.00776	0.9
111.04408	4.1
117.03378	1.1
119.04919	30.3
120.05228	1.9
121.02842	0.4
123.00766	1.1
125.02311	0.7
127.03867	0.8
134.03624	0.6
135.04459	0.6
137.02376	3.5
138.01877	0.4
145.02852	3.9
149.02350	1.3
151.00279	4.1
153.01918	0.5
155.03410	4.2
160.01540	0.5
161.02333	4.1
163.03923	22.0
164.04268	1.3
166.02864	0.4
169.01335	0.6
173.04477	68.7
174.04802	2.6
182.11462	0.4
189.01865	2.0
191.05540	11.9
192.05920	0.7
210.03214	0.7
226.02721	0.9
227.03329	0.6
233.01003	0.9
242.02206	0.8
243.02954	1.0
248.20958	0.4
254.02170	1.1
255.02995	2.6
255.06787	1.1
269.04590	0.5
270.01697	2.7
271.02463	5.1
281.08191	1.0
283.02426	0.6
284.03259	0.7
285.03986	7.6
296.10611	0.6
297.03970	1.9
298.01147	2.0
299.05615	1.9
300.02737	6.7
301.03253	1.6
311.12933	0.7
312.02554	0.9
313.03537	37.7
314.03912	2.8
319.08163	1.8
327.05066	2.9
328.05875	15.8
329.06210	1.6
337.09286	19.3
338.09784	0.9
343.08215	100.0
344.08542	7.5
382.10013	0.4
459.57980	0.4
463.13977	5.4
464.14227	0.8
484.62668	0.4
507.13098	3.5
579.72858	0.4
608.70294	0.4
637.17712	5.2
638.17957	1.0
663.17175	0.9
681.18182	9.1
681.26807	0.4
682.18005	1.3
682.42407	0.4
741.18805	6.3
742.18982	1.0
801.22400	1.1
975.27667	6.1
976.27924	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	971.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	1.5
69.22814	8.4
71.01257	26.9
72.99174	2.2
73.02814	6.0
75.00754	1.1
83.01266	3.6
85.02824	14.8
87.00752	7.2
88.61156	0.8
89.02316	8.3
95.01289	4.2
96.95871	1.7
97.02829	2.6
99.00748	2.7
101.02322	11.9
111.00785	1.0
113.02328	17.0
119.03392	2.9
119.04869	1.0
124.01557	2.6
125.02349	5.2
130.99800	1.6
134.03641	1.9
135.08026	2.7
137.02330	1.3
139.00269	0.9
143.03427	1.8
147.04437	2.3
149.02304	0.9
149.05949	1.4
150.06779	4.8
151.00319	1.0
159.04366	1.1
161.04501	1.3
163.07559	100.0
164.07884	4.3
173.06010	1.1
175.03943	1.0
185.05872	1.0
191.03484	1.4
191.05257	0.8
193.04948	1.2
209.11792	1.9
211.13266	1.6
211.88736	0.8
218.02171	1.1
221.01080	0.8
271.02441	1.3
299.01920	1.2
314.04361	0.9
317.21082	1.8
343.08041	1.9
457.33145	2.2
475.34219	13.1
476.34549	1.9
601.37762	1.7
619.38525	63.0
620.38611	9.1
637.39618	32.7
638.40070	5.4
661.39496	23.6
662.40125	3.2
679.40613	57.5
680.40833	10.9
721.41736	8.3
722.41516	1.9
763.42737	11.0
764.42780	1.2
781.43890	11.4
782.44080	2.7
799.44965	2.5
823.44891	6.8
824.44989	1.2
831.28479	0.9
841.45746	8.9
842.46558	1.7
883.46661	1.1
971.41681	5.1
972.43549	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	971.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
69.22868	1.9
69.23289	4.9
71.01256	41.5
72.99183	2.4
73.02820	9.9
75.00750	1.0
81.03335	0.8
83.01270	5.4
84.02013	0.9
85.02827	22.6
87.00758	5.9
89.02318	14.6
95.01266	6.2
96.18256	0.6
97.02832	2.1
99.00762	3.0
101.02325	17.1
107.86935	0.7
108.01048	0.7
113.02338	23.8
119.03391	4.6
121.02810	0.6
124.01537	1.9
125.02335	7.4
129.38969	0.6
135.08015	1.9
143.03400	1.9
143.10638	1.0
147.04425	2.3
149.06018	1.3
150.06769	3.1
161.04483	1.8
163.07556	100.0
164.07852	4.0
201.09160	1.2
211.13242	0.8
252.89911	0.7
299.01944	0.7
313.03482	1.3
314.04385	1.0
343.08398	1.7
345.24103	1.0
442.31168	0.8
457.33252	2.9
475.34244	15.1
476.34824	1.4
545.34961	1.1
561.28418	0.8
601.37634	2.3
619.38519	77.7
620.38916	12.2
637.39563	43.4
638.40021	7.6
661.39587	31.2
662.40045	6.2
679.40637	81.3
680.40796	13.2
703.41650	0.7
721.41595	9.7
722.41846	2.3
763.42615	15.4
764.43280	2.3
781.30444	0.5
781.43927	13.8
782.44690	3.9
799.45288	4.0
800.45361	1.1
819.38733	0.8
823.44659	7.4
824.45068	1.5
841.45709	10.6
842.46875	2.6
883.46722	2.5
953.40417	1.3
971.42908	3.1
972.42963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.2
69.44447	0.4
71.01255	15.4
72.99159	1.8
73.02824	2.9
75.00749	0.6
81.03319	0.8
83.01253	2.3
85.02834	3.4
87.00765	4.0
89.02319	14.8
95.01242	1.1
97.02843	2.8
98.20541	1.3
99.00747	1.5
99.92496	0.6
101.02325	14.3
102.02670	0.5
111.00770	0.5
111.04342	0.6
113.02326	6.8
116.92719	2.0
116.93525	0.4
119.03400	4.5
121.02796	0.6
125.02330	6.4
131.03371	0.7
134.03621	0.5
137.02287	0.5
143.03360	1.7
147.04395	0.7
148.05258	0.5
151.77113	0.5
161.04448	3.7
171.10181	1.0
172.05215	0.6
179.05518	3.7
179.14354	0.5
185.04446	0.6
195.13817	6.9
196.14514	0.7
201.09126	0.9
205.12413	0.7
209.11902	0.5
211.13370	1.2
217.07048	0.8
221.06573	1.0
223.13316	5.3
224.13786	0.6
228.13559	0.7
235.08185	8.1
253.09305	1.7
256.13135	1.2
268.94098	0.4
275.20096	5.0
276.20486	0.5
279.23291	47.4
280.23615	3.6
287.07745	2.1
293.21222	100.0
294.21594	7.1
305.08783	2.9
323.09796	1.2
379.12302	0.9
397.13498	76.3
398.13873	5.1
415.14587	26.3
415.19034	0.3
416.14978	1.7
486.77646	0.5
487.47229	0.5
677.37561	3.5
678.38104	0.8
837.68933	0.5
941.48145	0.5
971.45355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.3
71.01254	1.8
73.02838	0.6
85.02834	4.4
87.00752	18.2
89.02335	0.8
93.03333	2.6
96.55795	0.7
97.06454	2.5
98.19795	1.8
99.00724	0.7
101.02325	1.2
108.02052	14.3
109.02866	3.5
111.04322	0.6
113.02325	1.0
115.00287	0.7
117.03349	1.0
119.04915	1.9
121.02873	2.1
122.03637	1.3
123.04433	2.7
130.25705	0.6
130.99776	4.4
134.03635	7.3
135.04381	2.4
137.02351	1.2
145.02853	0.9
146.03642	4.2
147.04420	2.7
149.02319	0.6
149.05969	2.0
151.00270	0.6
151.03853	0.5
152.01068	28.8
153.01605	1.9
159.04396	1.1
160.01587	1.0
160.05034	0.6
161.02382	1.2
161.04480	0.6
161.05856	0.6
163.03914	2.6
163.07558	1.5
172.05214	2.5
173.04494	1.5
173.05998	1.6
174.03140	1.2
175.03928	2.7
175.07578	12.6
176.04768	1.2
176.08038	0.8
177.01869	1.1
179.03442	2.0
185.06076	0.8
186.06746	1.5
187.07558	3.6
188.04668	1.9
189.05501	1.7
189.09155	0.7
190.06190	3.0
191.05550	32.3
191.10712	0.7
193.04991	3.6
200.04771	6.3
201.05467	1.4
201.09151	5.5
203.07115	4.2
204.07782	2.3
215.07112	1.6
216.07925	0.8
217.08650	4.7
219.10197	7.8
225.08989	0.7
227.07179	0.7
227.10704	4.2
228.07756	1.1
229.08659	20.5
229.42979	0.8
230.09016	1.8
235.36116	0.6
241.04927	0.7
242.63882	0.6
243.10184	0.9
245.08173	3.0
245.11769	2.1
247.09766	2.0
253.05208	0.8
254.04341	1.4
261.11426	0.7
271.09775	1.9
273.07721	12.1
273.10583	0.8
274.08008	0.8
285.04019	1.3
289.10818	1.6
313.03555	6.6
315.08633	0.7
327.05270	0.7
328.05972	2.8
333.09772	10.8
337.09433	3.0
343.08206	11.6
351.10855	100.0
352.11282	8.1
354.27560	0.6
429.10443	3.9
442.42303	0.7
447.11429	10.1
448.11539	0.8
489.12262	1.1
507.13577	0.9
576.35602	0.6
623.16193	72.0
624.16467	10.6
626.24292	0.7
637.18402	0.8
659.09375	0.7
681.18011	8.1
682.18652	1.7
723.18481	0.8
801.22681	1.7
839.64014	0.7
975.27557	2.5
976.26532	0.8
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
69.03322	0.6
70.67953	0.1
70.68276	0.2
71.01258	7.3
71.04905	0.1
72.01608	0.1
72.99184	0.5
73.02813	0.9
75.00710	0.1
78.95788	0.2
81.03333	0.3
83.01267	0.7
83.04906	0.1
84.02034	0.1
85.02827	1.8
87.00751	1.9
89.02321	5.8
93.03400	0.2
95.01292	0.5
95.04912	0.3
97.02826	1.1
98.54158	0.1
99.00746	0.3
99.65125	0.1
101.02328	4.9
102.02651	0.2
103.03937	0.1
111.00813	0.1
111.04413	0.2
111.08034	0.5
113.02335	2.9
113.09600	0.4
119.03389	1.7
121.02840	0.1
121.10111	0.2
121.72581	0.1
125.02339	1.9
127.03867	0.1
131.03368	0.3
133.05000	0.2
137.02322	0.2
139.03934	0.1
141.01814	0.3
143.03407	1.0
149.04434	0.2
152.99458	0.2
161.04477	1.2
167.10693	0.2
169.12097	0.1
171.10181	0.6
177.12791	0.3
179.05553	1.6
179.10701	0.2
179.14325	0.8
181.12244	0.2
195.13841	7.2
196.14479	0.7
205.12296	0.7
205.15948	0.3
209.11673	0.3
211.13344	0.5
221.06567	0.8
223.13345	5.4
224.13843	0.4
225.14873	0.4
228.13602	0.8
230.36781	0.1
231.21158	0.4
231.66646	0.1
235.08199	1.9
249.18636	0.2
249.22089	0.2
253.09213	0.5
255.23270	1.1
256.13129	1.1
256.23621	0.1
263.07745	0.2
265.21774	0.5
275.20166	5.3
275.39362	0.1
276.20523	0.4
277.21814	0.2
287.07706	0.6
293.21225	100.0
294.21558	7.7
305.08813	0.7
317.21216	0.4
323.09888	0.5
379.12363	1.1
380.12820	0.2
397.13492	16.5
398.13892	1.2
415.14560	9.9
416.14795	0.7
483.27188	0.7
484.27304	0.2
569.42297	1.4
570.42383	0.2
581.30890	0.1
636.26068	0.2
654.27692	0.3
664.01862	0.1
673.34509	0.8
674.34906	0.3
689.61292	0.1
691.35522	2.4
692.35779	0.3
737.39648	0.1
930.49860	0.2
968.52002	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	967.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.4
71.01255	24.3
72.99187	2.5
73.02835	3.7
81.03329	1.2
83.01277	3.1
85.02817	5.3
87.00750	7.9
89.02317	21.3
91.03854	0.6
95.01259	2.0
95.04918	0.6
96.95902	2.4
97.02837	3.6
99.00735	1.7
101.02321	17.9
109.02805	0.6
111.04381	1.0
113.02336	8.9
114.57603	0.5
116.92692	0.5
119.03397	7.3
121.02851	0.8
125.02336	8.1
129.94043	0.4
131.03389	1.5
133.05037	0.7
134.81870	0.5
137.02370	0.6
139.03899	0.5
143.03424	3.6
147.04440	0.8
150.10381	0.7
161.04459	5.0
163.11162	0.8
165.12766	9.0
166.12970	0.6
179.05533	5.1
181.05087	0.6
209.11749	1.6
217.06982	0.8
221.06612	1.6
224.74229	0.5
235.08217	11.1
245.06575	0.7
247.20682	5.3
251.68518	0.6
253.09267	1.8
263.07513	0.7
273.18677	2.5
277.21713	58.5
278.22086	4.7
287.07715	3.1
291.19653	33.4
291.23013	0.9
292.20029	3.0
305.08783	4.3
323.09943	1.2
354.44467	0.5
379.12469	0.8
397.13489	100.0
398.13766	7.5
415.14554	34.1
416.14511	2.4
675.35931	2.7
967.54980	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	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.4
71.01255	24.3
72.99162	2.2
73.02815	3.7
75.00794	0.7
81.03358	1.2
83.01258	2.6
83.04935	1.3
85.02821	6.2
87.00755	5.3
87.01189	0.4
89.02319	18.7
91.03905	0.6
93.03398	0.5
93.06997	0.4
95.01305	1.6
95.04914	0.5
97.02834	5.7
97.06472	0.7
98.19775	1.4
99.00811	1.7
101.02322	17.2
109.02889	0.5
109.06549	0.4
111.00831	0.6
111.08041	7.9
113.02332	11.7
113.03050	0.9
119.03388	5.1
119.04111	0.5
120.91235	0.4
125.02336	8.6
125.09657	0.7
127.07564	0.8
127.11192	0.5
131.03429	0.9
133.05099	0.6
134.21799	0.4
137.09637	0.9
139.03934	0.5
143.03375	2.9
149.04440	0.6
151.11249	0.8
153.12805	0.7
154.17430	0.4
159.02922	0.4
161.04469	3.6
163.11237	0.5
165.12778	1.9
165.34628	0.5
167.03455	0.5
169.12299	3.0
171.10164	3.1
173.80365	0.4
179.05521	6.3
181.12314	1.3
183.13824	0.6
191.14441	0.6
193.12363	0.8
193.16043	0.5
195.13889	0.7
197.11771	39.3
198.12152	1.7
199.06059	0.5
199.13341	2.0
209.11794	0.9
209.15463	0.8
211.13327	5.8
221.06665	2.6
221.11862	0.5
223.13326	0.5
223.17113	0.5
225.14867	0.9
227.12801	2.9
235.08186	7.5
245.06795	0.5
247.20612	2.3
249.14948	0.6
251.16536	0.9
253.09317	1.6
255.23167	0.8
259.20819	0.8
263.07678	1.2
263.20166	1.9
265.18063	0.9
273.18533	1.3
274.25916	0.5
277.21729	56.0
278.22046	4.3
287.07706	1.9
291.19681	29.3
292.20004	1.6
305.08896	1.8
309.20709	100.0
310.21005	6.3
323.09772	1.9
333.20584	0.9
379.12439	4.8
397.13501	48.7
398.09085	0.5
398.13718	2.9
415.14542	16.7
416.14981	0.9
569.41681	0.8
577.23987	0.5
654.37567	0.5
675.35675	1.3
689.33771	1.7
707.34760	1.7
984.71924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.5
69.72117	1.4
73.02821	0.3
73.65993	0.2
78.46033	0.2
81.03320	0.4
85.02850	0.5
87.49563	0.2
90.62695	0.2
95.04906	0.5
97.06461	0.3
98.19862	0.3
101.02332	3.1
101.02928	0.4
109.02833	0.7
116.29640	0.2
119.04928	0.2
121.02858	0.4
123.00742	0.3
123.08020	0.3
124.09012	0.2
129.03371	0.4
133.02870	0.2
135.04462	0.4
137.02342	2.1
139.03905	0.6
143.04971	0.2
145.02902	0.3
145.06464	0.3
146.03642	0.8
147.04419	8.3
148.05254	1.8
149.05949	0.5
159.04443	4.2
160.05133	0.9
161.02228	0.2
161.05994	1.4
163.07585	1.2
172.04082	0.2
172.05209	7.4
173.05998	10.5
173.09567	0.4
174.03146	0.6
174.06761	1.3
175.02481	0.2
175.03912	1.0
175.07545	1.4
175.11177	0.2
176.04713	3.7
176.06140	0.4
183.04323	0.5
183.08041	0.3
185.05971	0.4
186.06760	2.4
187.03993	1.7
187.07574	8.6
188.04631	0.4
188.08298	1.2
189.05511	3.9
189.09114	3.5
191.03448	0.3
192.04164	1.3
193.04750	0.2
196.05196	0.6
197.06010	4.4
198.06787	2.1
199.07492	1.1
199.11241	0.5
200.04733	1.0
200.08302	0.3
201.05534	5.0
201.09148	20.7
202.06088	0.4
202.09532	1.4
203.07056	1.1
203.10762	0.4
204.04398	1.0
204.07867	10.6
205.08397	0.7
209.09589	0.5
211.07632	0.7
212.08409	1.1
214.06374	0.4
215.07085	9.6
215.10429	0.4
216.07858	8.5
217.05070	0.5
217.08383	0.5
217.12289	1.9
218.05730	0.5
225.09152	2.4
226.09807	0.5
227.10735	22.4
228.11055	1.4
229.08672	2.3
230.09366	0.3
232.03690	0.3
236.03195	0.7
242.05838	0.2
243.10176	1.0
245.08011	0.7
245.11797	19.5
246.12178	1.3
260.06888	0.9
271.09756	3.6
289.10825	18.7
290.11075	1.1
333.09793	100.0
334.10126	8.7
334.14160	0.4
343.08154	0.3
475.05838	0.2
579.14282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	1.2
69.03331	2.4
71.01256	30.5
72.99195	2.7
73.02811	4.2
75.00723	1.6
78.95744	1.2
83.01247	2.9
83.04881	0.9
85.02814	7.4
87.00745	7.9
89.02322	23.8
95.01238	3.4
95.04937	1.0
97.02845	5.6
98.19858	2.7
99.00790	1.4
99.79376	1.0
101.02327	24.4
113.02341	12.3
116.92731	1.9
119.03367	5.6
119.04910	0.9
121.10090	3.5
125.02341	13.7
125.09589	4.2
139.03926	1.2
143.03355	3.6
150.50531	1.0
161.04469	7.4
167.03369	1.1
167.14339	1.0
171.10194	23.8
179.05547	7.9
185.11809	4.5
195.13892	1.5
197.11824	1.9
209.11723	4.6
211.13342	69.0
212.13696	2.7
214.66620	1.0
221.06541	3.4
235.08243	8.2
253.09328	1.6
255.23230	2.3
263.07736	1.3
273.18384	1.3
277.21722	100.0
278.22043	8.6
287.07755	3.1
289.18085	1.7
291.19666	67.9
292.19965	4.4
293.21213	1.5
305.08746	2.9
309.20819	5.0
323.09811	2.5
348.46674	1.1
361.10983	1.3
375.44495	1.1
379.12445	19.3
380.12698	1.7
397.13513	82.1
398.13858	4.8
415.14554	17.6
551.23419	1.9
631.40009	1.3
657.34778	1.5
671.32495	2.5
675.35931	5.1
689.34412	2.7
967.56116	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	967.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	2.0
71.01254	22.9
71.04882	0.4
72.01614	0.4
72.99181	2.1
73.02818	3.3
75.00731	0.7
75.97392	0.3
81.03333	1.3
83.01260	2.4
83.04900	1.2
85.02821	5.6
87.00749	5.6
87.04398	0.4
89.02319	18.0
90.02667	0.4
91.03892	0.4
93.03323	0.3
95.01248	1.7
95.04909	0.5
97.02833	5.0
97.06463	0.8
98.19645	0.6
99.00765	1.4
99.04406	0.5
101.02325	16.5
102.02626	0.3
104.03217	0.3
109.02886	0.7
109.06471	0.5
111.00774	0.5
111.04427	0.7
111.08034	6.2
112.01585	0.3
112.08398	0.3
113.02332	9.1
115.03961	0.4
119.03393	4.7
119.08527	0.3
123.08028	0.3
125.02334	7.6
125.09659	0.8
127.07549	0.8
131.03406	1.3
133.04953	0.6
137.02263	0.3
137.09630	0.8
139.03903	0.5
139.11212	0.3
141.01826	0.3
143.03412	3.4
145.04895	0.3
149.04507	0.7
151.11176	0.6
153.09142	0.6
153.12756	0.8
159.02965	0.2
161.04457	4.2
163.11208	0.9
165.12737	2.0
167.03471	0.3
167.10725	0.6
169.12248	2.9
171.03014	0.3
171.10185	3.4
179.03320	0.3
179.03767	0.4
179.05534	5.8
179.10706	0.4
181.05112	0.3
181.12270	1.2
183.13823	0.8
185.04512	0.6
185.11737	0.5
191.14336	0.3
193.12216	0.6
195.13858	0.3
197.11769	34.4
198.12074	1.6
199.06120	0.3
199.13347	2.1
209.11760	0.9
209.15419	1.1
211.13356	5.7
211.15297	0.3
212.13699	0.6
217.07114	0.4
219.05110	0.4
221.06616	2.3
221.11777	0.8
221.15546	0.4
223.13278	0.6
223.17033	0.4
225.14911	2.2
227.12755	1.9
233.15416	0.7
235.08215	6.8
245.06651	0.4
247.20546	1.4
248.21095	0.3
251.16479	1.4
253.09267	1.1
255.23355	0.3
259.08154	0.3
259.20569	0.4
263.07764	0.7
263.20181	2.1
265.18109	0.6
273.18674	1.5
277.21719	58.1
278.22070	4.5
287.07718	1.4
291.19669	28.7
292.20007	1.9
305.08725	2.1
309.20706	100.0
310.21048	7.2
323.09930	1.4
329.23499	0.3
333.20868	0.6
351.21597	0.3
379.12451	4.5
380.13324	0.3
397.13495	48.0
398.13885	3.1
415.14590	16.7
416.14944	1.1
569.42090	0.4
595.26080	0.3
675.35876	1.3
689.33923	2.0
690.33624	0.3
707.35181	1.6
800.41345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
71.01254	20.0
71.04881	1.6
71.32685	0.5
72.99174	1.8
73.02812	2.7
78.95786	0.4
80.02536	0.9
81.03328	2.0
83.01262	2.2
83.04900	0.8
85.02824	4.8
87.00747	4.4
89.02316	15.8
90.02666	0.5
93.03329	0.5
95.01244	1.3
95.04915	0.7
97.02828	3.1
97.06510	0.4
98.03639	0.5
98.93220	0.4
99.00738	1.0
101.02319	15.5
106.04106	0.6
107.04869	0.5
109.02842	0.7
109.06479	6.8
111.00755	0.8
111.04404	3.2
111.08012	0.8
113.02330	8.8
115.03955	0.4
119.03390	5.2
119.08555	1.3
121.00918	0.3
121.02832	0.8
123.04358	0.6
123.08029	1.1
125.02341	5.7
127.07565	1.2
131.03413	0.4
135.04405	0.4
135.08051	0.8
137.09711	0.5
139.03934	0.4
141.01840	0.4
143.03410	2.6
143.10674	0.8
145.06496	1.3
149.04414	0.4
149.09647	0.8
151.11143	0.4
161.04474	3.5
163.11166	0.6
167.03410	0.5
167.10683	1.3
171.10120	0.7
177.12782	0.7
179.05537	4.9
179.10628	0.7
181.12231	0.6
189.61235	0.4
191.14328	0.7
195.13838	1.6
199.06044	0.4
209.11722	0.6
211.13377	0.9
217.07088	0.5
221.06584	1.8
223.13084	0.4
235.08171	5.9
235.13298	0.8
245.19046	3.5
251.16505	0.4
253.09236	0.9
255.23294	0.6
263.07611	0.5
271.16928	1.0
277.21716	59.0
278.22025	4.3
287.07724	1.4
287.16544	1.4
289.18091	100.0
290.18427	8.9
291.19659	0.7
305.05725	0.4
305.08841	2.6
307.19104	5.0
309.20767	0.4
323.09869	1.1
327.21826	2.3
328.22278	1.8
328.25897	0.4
361.11227	0.6
379.12421	4.6
380.12662	0.6
397.13477	46.5
398.13846	3.4
415.14548	10.9
415.61829	0.4
416.14688	1.0
669.31158	1.2
675.36218	0.9
687.32080	1.2
942.51440	0.4
947.53912	1.6
961.02289	0.5
965.52954	1.0
966.54352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99672	0.4
69.03315	0.6
69.29276	1.9
69.29705	1.7
71.01259	1.1
73.02811	2.2
79.05399	0.4
87.00755	7.4
91.05411	3.1
93.03387	0.5
95.04920	0.7
97.06474	2.0
98.19817	0.6
99.00804	0.4
101.02322	4.1
103.05437	0.9
105.03352	1.4
108.02040	1.0
109.02846	4.7
113.02338	0.6
119.04907	2.3
121.02839	2.9
122.03648	0.7
123.04419	0.9
130.99727	1.1
134.03668	0.7
135.04419	12.0
136.04814	0.4
137.02348	2.3
139.03877	0.7
145.02852	0.8
145.06474	1.0
146.03629	1.4
147.04422	14.1
147.08070	0.7
148.05206	2.7
149.05994	3.2
150.03125	1.3
152.01018	0.6
153.01805	0.6
156.05708	0.9
158.03621	1.2
159.04465	2.2
160.05145	0.7
161.05980	0.7
165.05478	1.2
169.06528	0.4
171.04485	2.0
171.08063	1.5
172.05188	2.1
173.02347	1.0
173.06001	7.8
174.03105	0.7
174.06670	1.7
175.03949	0.6
175.07585	3.5
183.13721	0.4
185.06032	2.1
186.06769	2.5
187.03946	1.0
187.07582	4.0
188.04788	0.6
189.05441	0.7
189.09134	1.8
191.03377	2.3
192.04152	0.9
193.04942	0.8
195.04482	0.6
195.06490	0.8
196.05244	3.3
197.05997	1.9
198.03082	0.9
198.06596	0.5
199.03957	0.9
199.07591	6.1
200.04655	1.1
200.08376	2.5
201.05510	1.3
201.09149	6.1
202.06320	2.4
203.07065	2.5
210.06781	1.4
211.07530	1.3
211.13368	3.8
213.05611	0.9
213.09204	0.4
214.06268	4.8
215.07103	6.7
215.10643	2.4
216.07570	1.0
216.11221	0.5
217.08656	2.7
218.02180	2.4
218.09453	2.9
223.07607	1.1
224.08376	0.8
225.09146	7.4
226.09941	2.5
227.07129	3.0
227.10660	1.5
228.07770	2.1
229.08638	3.7
231.06477	0.9
238.06497	0.6
241.08769	0.9
243.06589	1.5
243.10260	10.1
244.07379	0.6
244.10927	4.1
245.08147	3.0
245.11781	1.1
259.09940	0.5
271.09763	18.1
272.10104	1.4
281.11182	0.4
287.09174	1.7
288.10010	1.0
289.10873	0.4
297.15082	1.0
313.14459	1.0
313.18039	0.8
323.16614	0.9
325.14410	2.4
339.16132	0.5
341.13824	1.4
341.17596	1.2
343.08212	0.6
343.15610	0.8
350.09909	1.0
353.10156	0.4
359.18610	0.6
369.13443	1.2
385.16626	2.5
386.17114	0.5
403.17554	3.5
429.15515	3.5
430.16190	0.5
445.15164	0.7
447.16586	100.0
448.16910	12.4
474.88712	0.5
475.16119	5.0
476.16324	0.9
476.79825	0.4
684.19952	0.5
753.31006	0.7
967.41827	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	965.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.6
68.99691	2.0
69.03313	1.0
71.01254	22.4
71.54488	0.3
72.01566	0.3
72.99189	2.3
73.02818	5.9
75.00747	12.8
83.01258	2.6
85.02824	18.3
85.99973	1.7
86.03160	0.3
87.00754	8.7
87.04397	1.8
89.02312	2.4
95.01263	2.8
96.95866	0.3
97.02828	0.3
99.00759	13.6
99.04379	0.5
101.02309	2.5
103.03897	1.4
111.00772	0.5
112.01563	0.4
113.02335	10.6
115.00253	0.6
115.03896	2.5
118.95549	0.2
119.03371	0.3
125.02276	0.3
129.01834	0.2
131.02467	0.5
131.03403	5.2
137.02348	0.6
139.00298	0.6
143.03398	3.6
145.04961	1.2
147.04427	1.0
148.05150	0.6
149.05971	0.6
157.01314	0.8
163.05997	0.8
175.03940	0.2
191.03432	0.3
192.04172	0.6
193.04958	0.4
205.07083	2.0
209.11885	0.4
249.01173	0.2
293.30774	0.2
389.28094	0.3
405.31497	0.3
423.32608	0.5
439.35947	0.6
441.37579	0.4
485.36050	0.3
509.36115	1.9
511.37906	2.1
512.38397	0.3
537.35608	0.4
539.37384	0.3
555.40222	0.5
579.40411	0.7
599.39337	0.4
607.40417	0.2
625.41016	2.5
626.40942	0.4
642.61316	0.2
669.40149	0.5
763.25665	0.3
947.50348	1.6
948.50525	0.7
965.51111	100.0
966.51501	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.7
71.01255	14.9
71.04903	1.7
71.52872	0.5
72.01574	0.4
72.99174	1.3
73.02827	1.7
75.00758	0.5
80.02538	0.5
81.03327	1.3
83.01281	1.7
83.04877	0.9
85.02819	3.9
85.75599	0.3
87.00748	3.2
89.02319	13.2
95.01257	1.5
95.04898	1.4
97.02809	1.8
97.06459	0.5
99.00762	1.1
101.02325	11.9
106.04132	0.4
107.04893	0.5
109.02834	0.5
109.06480	6.3
111.00760	0.5
111.04404	2.6
111.08047	0.9
113.02325	7.6
115.03884	0.5
119.03379	3.7
121.02881	0.5
121.06505	0.5
123.08019	1.2
125.02341	4.8
125.09543	0.5
127.07541	1.2
131.03447	0.6
137.06075	0.5
137.09608	0.7
139.03877	0.9
141.01778	0.5
143.03404	1.8
143.10669	0.8
145.06476	1.9
149.04440	0.4
149.05946	0.4
149.09607	0.8
149.43030	0.3
151.11166	0.5
161.04475	3.2
163.11238	0.4
167.10689	1.5
169.12239	0.4
171.10117	0.5
177.12796	0.4
179.05521	4.7
179.10629	0.6
181.12299	0.5
185.11606	0.4
191.14447	0.7
195.13881	1.6
211.13449	0.4
215.14240	0.5
221.06578	2.4
233.15559	0.4
235.08202	4.1
235.13353	0.5
245.19077	4.8
253.09274	1.0
263.07727	0.4
265.17538	0.4
271.16989	1.1
273.14883	0.5
277.21719	42.8
278.22037	3.8
287.07663	1.0
287.16464	1.6
289.18094	100.0
290.18466	8.3
291.19495	0.7
305.08768	1.8
307.19128	6.2
308.19446	0.6
323.09872	1.4
327.21771	0.4
331.19269	0.9
379.12497	4.6
380.12891	0.6
397.13492	31.9
398.13937	2.2
415.14548	9.9
416.14536	0.6
445.15219	0.4
669.31512	0.9
687.32275	2.4
936.16315	0.4
947.52856	0.4
965.52130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.59
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	0.4
69.03336	2.5
70.91430	0.7
71.01255	18.6
72.01603	0.4
72.99170	2.1
73.02825	2.5
73.50911	0.3
75.00710	0.4
78.95779	0.3
79.44283	0.3
81.03315	0.7
83.01265	2.1
83.04888	0.6
84.02033	0.4
85.02824	11.6
86.03126	0.3
87.00750	4.6
87.04413	0.3
87.62569	0.3
89.02318	15.5
93.03323	0.4
95.01255	1.2
95.04901	0.6
96.11613	0.3
97.02831	3.6
97.06470	1.9
99.00756	1.3
99.04399	0.4
101.02325	13.7
102.02667	0.3
104.08221	0.3
109.02811	0.6
111.04413	0.8
113.01544	0.4
113.02328	7.0
119.03390	4.2
119.08541	0.6
121.02831	0.6
125.02332	5.2
125.09613	0.9
127.11185	1.0
130.99783	0.4
131.03407	0.7
133.04950	0.6
137.09627	2.2
139.03915	0.5
143.03416	2.4
145.02835	0.3
147.04425	0.4
155.10634	0.5
161.04486	2.4
165.12794	0.6
167.14235	0.4
171.10179	24.4
172.10529	1.0
177.12671	0.5
179.05551	3.1
183.13811	2.3
185.04482	0.3
185.11743	0.5
188.04907	0.3
193.12267	0.7
201.11230	1.3
209.11755	1.2
211.13347	9.5
212.13823	0.4
217.07236	0.7
221.06625	1.0
221.11765	1.7
229.14418	7.4
230.14595	0.4
235.08176	4.8
236.08571	0.3
239.12874	1.2
245.06592	0.4
253.09268	1.0
255.23267	36.8
256.23636	2.3
263.07718	0.6
277.09222	0.5
277.21634	0.5
287.07776	1.0
291.19647	2.7
292.20010	0.5
305.08801	1.6
305.17587	1.0
309.20746	6.3
310.20877	0.3
315.94235	0.3
323.10104	0.7
327.21762	100.0
328.22116	7.0
351.21814	0.5
379.12411	0.9
397.13501	51.6
398.13812	3.6
415.14572	15.0
416.14838	1.0
454.39905	0.3
565.44946	2.1
653.37701	5.4
654.37518	0.7
707.34839	5.4
708.35645	0.7
725.35919	3.0
726.37152	0.5
963.49255	0.9
963.58917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	1.5
71.01251	3.5
71.24480	1.0
73.86772	0.5
75.84850	0.5
78.95830	0.4
79.05376	0.6
81.03355	0.5
85.02836	1.3
87.00751	43.0
89.02315	2.0
91.05407	6.2
92.05724	0.6
93.03338	5.6
93.52285	0.5
95.04920	3.9
101.02328	2.3
103.05411	2.4
105.03357	5.9
105.93370	0.6
108.02027	2.4
113.02304	1.2
119.03429	0.6
119.04919	7.4
121.02846	24.6
122.03639	15.8
123.04420	4.1
124.01593	0.9
129.03363	1.1
130.99760	17.9
133.02824	1.4
135.04420	1.8
136.21242	0.5
137.02365	5.7
139.03893	2.1
145.02861	3.7
146.03647	2.5
147.04422	34.9
148.01534	0.7
148.05229	5.4
149.02345	8.8
149.05945	1.5
150.03093	2.0
151.03786	0.6
154.02603	2.8
161.04497	1.0
162.02965	0.6
163.03900	7.7
164.04721	4.6
165.05463	2.1
167.14232	0.8
183.13834	4.8
191.03383	4.8
192.04225	3.0
193.04941	1.1
193.12297	1.1
211.13342	42.6
212.13643	2.4
217.01399	3.9
218.02191	7.6
247.09445	0.7
253.09242	3.0
254.04276	12.2
255.04843	1.0
265.10474	1.0
277.21725	32.8
278.21991	2.2
287.16507	1.2
315.15985	1.5
316.97653	0.5
341.17767	1.0
447.22305	0.9
502.11395	0.6
551.14117	0.6
612.06726	0.6
707.43585	1.2
899.48157	1.5
900.48981	0.6
901.45966	4.3
902.46643	0.9
925.45740	1.0
943.17450	0.6
943.46777	6.5
944.47327	2.1
961.47986	100.0
962.48267	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	961.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	1.9
69.03318	1.6
70.68586	2.3
71.01254	17.6
72.99159	0.9
73.02825	2.4
74.37765	0.7
79.05383	1.0
81.03324	0.9
81.45094	0.7
83.01259	1.6
85.02840	3.6
87.00751	43.2
88.01095	0.8
89.02319	11.2
91.05430	5.5
93.03333	2.1
95.01244	1.0
95.04913	4.3
97.02839	1.6
99.00763	1.3
101.02328	10.0
103.05406	2.5
105.03349	5.0
108.02058	1.9
108.39997	0.6
113.02322	5.7
117.03393	0.8
119.03409	2.5
119.04913	7.7
121.02841	8.4
122.03674	1.4
122.45117	0.7
125.02368	5.4
126.54816	0.7
129.03371	1.2
130.04112	0.8
130.99757	21.2
133.02869	0.9
137.02316	4.2
139.03903	2.3
141.01630	2.9
143.03395	1.6
145.02872	3.7
146.03632	3.7
147.04427	40.4
148.05238	5.7
149.05968	2.8
161.04475	2.8
161.05730	0.7
163.03870	0.9
167.03360	0.7
167.14240	0.8
171.10158	0.9
175.03989	0.7
179.05528	3.4
183.13846	6.7
187.07813	0.7
191.03485	4.8
192.04239	1.5
193.05037	1.5
193.12222	1.6
199.06064	0.9
211.13339	100.0
212.13680	4.6
217.01387	5.1
217.07217	1.0
218.02135	10.1
219.02786	1.0
235.08195	4.9
236.02950	0.7
253.09402	1.9
254.04297	12.4
255.05020	1.0
255.23393	1.1
277.21725	50.4
278.22113	4.5
281.84247	0.8
287.07751	1.8
287.16595	0.9
289.17957	1.4
292.05020	0.7
305.08887	1.1
315.16071	1.7
323.09619	1.6
323.16595	0.8
327.21832	0.8
341.17310	0.8
379.12448	11.3
397.13495	32.7
398.13913	2.8
415.14548	5.9
591.26526	8.6
592.27081	0.9
609.27576	7.5
657.34845	1.4
675.35974	2.0
819.70081	0.8
899.48218	2.7
925.46375	2.6
943.46960	16.7
944.47723	5.0
961.48065	29.1
962.30432	1.4
962.48212	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	963.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	0.6
71.08761	0.7
76.48071	0.4
78.95776	29.8
87.00748	2.9
87.39843	0.3
96.96840	2.3
101.02349	0.4
106.39137	0.3
121.02828	0.4
122.03671	0.4
122.18272	0.3
130.99777	0.9
135.51178	0.4
146.03658	1.0
147.04359	1.2
150.97888	0.6
152.99495	45.3
153.99794	0.5
162.03183	1.1
163.03679	0.5
171.00557	11.7
172.05165	0.8
173.05675	0.4
209.11794	1.5
211.07317	0.3
211.13235	1.1
212.13634	0.4
218.02092	0.4
227.03244	3.1
245.04295	61.9
246.04683	1.5
253.21716	26.7
254.22031	1.2
277.21655	2.3
278.22055	1.2
288.16769	0.8
301.20847	0.4
305.17648	0.5
315.15933	0.7
316.16190	1.1
330.92337	0.3
333.17081	0.5
388.56241	0.4
436.19794	0.4
481.25720	100.0
482.26047	9.7
482.31317	0.3
592.49506	0.5
945.47272	0.7
963.48767	10.5
964.48633	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	961.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.4
68.99686	1.0
69.03322	0.7
69.56056	0.3
71.01255	15.2
71.45198	0.3
72.01581	0.2
72.65210	0.3
72.99178	1.5
73.02439	0.4
73.02818	3.8
73.03461	0.3
75.00748	7.9
76.02934	0.3
76.17810	0.3
83.01254	1.8
83.04904	0.3
85.02824	10.8
85.99974	0.8
87.00750	9.3
87.04397	1.2
89.02315	1.8
91.05419	0.7
93.03340	0.7
95.01278	2.3
99.00760	11.0
99.04405	0.5
101.02312	2.0
103.03883	0.8
108.02053	0.6
109.02836	1.8
111.00754	0.3
112.01546	0.5
113.02328	6.9
115.00267	0.4
115.03891	1.6
119.04913	0.6
121.02851	3.2
122.03610	1.3
123.00749	0.4
123.04401	1.1
125.02315	0.6
129.01776	0.5
130.99753	1.1
131.03401	3.7
134.03635	1.2
135.04417	3.8
137.02336	1.2
139.00288	0.4
143.03398	3.4
145.02843	0.6
145.04921	0.3
146.03639	0.7
147.04428	2.3
149.02347	0.5
149.05960	1.2
150.03076	0.4
151.03947	0.4
153.05423	0.4
157.01317	1.0
159.04428	2.8
160.01508	0.5
160.05148	0.4
161.02325	1.0
161.04597	0.3
161.05971	0.7
163.03943	0.9
163.05966	0.8
163.11066	0.4
164.04439	0.5
173.02274	0.3
173.06004	2.4
175.00241	0.3
175.03880	0.9
183.13806	0.3
186.03230	0.4
187.03905	1.0
189.01866	0.5
191.05476	0.3
193.05005	0.9
195.04433	0.3
199.03920	0.6
203.03400	0.4
205.07089	0.8
209.11775	2.5
211.07559	0.4
211.13330	2.3
217.01324	0.5
227.03267	0.3
239.07169	0.4
249.05502	1.7
250.06172	0.7
251.07079	1.4
253.05084	0.5
253.09137	0.4
261.05637	0.4
265.04999	0.5
267.06805	1.1
271.09747	1.8
277.05072	4.2
278.05664	1.2
279.06516	0.8
281.04480	0.6
282.05405	0.4
290.02533	0.3
293.04617	1.2
294.05319	1.3
295.06110	2.5
296.06778	0.5
297.07608	1.9
305.04526	2.0
306.05188	0.5
307.06021	0.8
309.07648	0.4
310.08377	0.8
311.09088	0.7
312.10141	1.6
321.03976	0.9
321.07416	0.4
322.04770	2.0
322.08319	0.7
323.05606	4.3
323.09183	0.4
324.06024	0.7
325.07101	1.0
325.10739	0.7
327.12314	1.9
328.12503	0.4
333.04169	0.3
336.06641	0.6
337.07141	3.6
338.07922	5.1
339.08472	0.8
351.08691	2.8
352.09256	0.4
353.10284	10.8
354.10599	1.2
371.11163	0.4
379.08063	0.7
380.04086	0.3
397.09122	1.6
423.07205	3.9
424.07553	0.5
453.33313	0.3
469.33237	2.2
471.34860	4.6
472.34677	0.4
513.35864	1.6
539.37482	3.6
540.37604	0.6
553.35309	1.1
567.36743	0.6
585.38013	6.9
586.38007	1.1
603.38373	1.3
604.39386	0.3
623.89954	0.4
629.36993	4.4
630.37268	1.1
699.41174	0.5
717.42047	1.3
787.25269	0.4
801.24152	0.9
829.26642	2.7
830.27679	1.2
863.48444	0.8
873.26056	2.0
874.27094	0.6
875.23999	1.2
899.23804	3.3
900.24603	1.0
905.73004	0.3
907.48309	0.5
911.38507	0.4
917.24585	2.6
918.25134	1.2
925.48029	100.0
926.48370	28.3
943.41687	5.2
944.42059	1.6
961.42633	1.3
962.42798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	0.5
70.02084	1.0
70.71588	0.3
73.02807	0.7
74.09275	0.3
81.03333	0.5
83.87296	0.3
85.02821	0.5
87.00770	2.2
95.04888	0.6
97.06461	1.3
98.20586	0.4
101.02310	3.3
106.47478	0.4
109.02846	2.0
119.04914	0.7
121.02843	0.7
128.01013	0.4
129.03374	0.4
133.02850	0.5
135.04393	0.9
137.02333	1.2
145.02896	0.4
146.03653	1.1
147.04411	13.4
148.05228	2.2
149.05934	1.0
151.00293	1.0
159.03163	0.6
159.04433	7.5
159.86800	0.4
160.05223	2.5
161.02397	0.5
161.06007	2.7
163.03943	0.5
163.07550	1.8
172.05212	13.7
173.05992	18.7
173.09625	0.7
174.03136	1.4
174.06525	2.2
175.03944	2.4
175.07611	2.1
175.11292	0.7
176.04692	4.5
176.08409	0.4
178.99678	0.6
183.04454	1.3
185.06018	1.0
186.06799	5.1
187.04004	3.4
187.07581	13.8
188.04611	0.6
188.08130	2.1
189.05510	6.9
189.07198	0.6
189.07527	0.4
189.09108	4.1
191.03366	0.7
192.04233	1.7
196.05212	1.1
197.05989	6.1
198.06741	3.8
199.07539	1.3
199.11261	0.5
200.04707	1.9
200.08414	0.7
201.05521	9.7
201.09142	30.0
202.02527	0.4
202.06052	0.9
202.09534	1.2
203.07047	2.7
203.10744	0.5
204.04306	1.4
204.07852	12.7
205.08405	0.9
209.09668	1.1
211.07506	1.0
212.08351	1.6
213.05515	0.4
214.06271	0.7
214.77385	0.3
215.07083	12.9
215.10686	1.2
216.07863	13.8
217.05014	0.7
217.08278	0.7
217.12291	2.2
218.05855	0.9
225.09169	2.6
226.09775	0.3
227.03494	0.6
227.10724	26.5
228.11060	2.1
229.08620	2.4
232.03693	0.6
243.03012	1.4
243.10255	1.0
245.08040	0.8
245.11800	21.3
246.12106	1.4
254.01974	0.4
255.02917	4.6
256.03387	0.7
259.13333	1.0
260.06812	0.8
271.02472	10.4
271.09732	4.7
271.12439	0.7
272.02930	0.8
277.14410	1.7
278.14532	0.4
289.10812	28.3
290.11230	1.9
299.02121	0.7
300.02744	15.8
301.03397	2.3
302.03516	0.5
321.13419	2.1
333.09799	3.5
347.11285	0.4
365.12399	100.0
366.12747	8.6
371.11102	0.4
454.66495	0.4
595.13007	18.0
596.13269	2.4
970.59656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	5.0
71.54313	1.4
73.02820	2.3
82.60070	0.9
85.02808	2.2
87.00729	4.7
89.00228	1.8
89.02288	1.7
93.41166	1.0
97.06472	1.1
99.00745	5.8
101.02325	2.5
104.53074	1.0
106.00461	1.1
109.02834	5.3
113.02348	2.5
115.05469	1.4
119.04867	1.8
121.02853	11.9
123.00788	8.7
123.04396	2.3
124.01559	2.8
125.02330	5.3
130.99715	1.0
131.04907	4.1
134.03596	2.1
135.04396	4.5
137.02338	13.1
138.03145	10.8
139.03899	1.0
142.11623	1.1
143.04906	1.5
145.02878	2.1
145.06494	2.4
146.03648	5.5
147.04424	12.0
149.02335	2.3
149.06013	1.1
150.03117	1.0
151.03893	2.6
152.01057	2.7
152.04675	2.6
153.05528	5.1
158.03522	1.5
159.04430	99.4
160.05217	17.8
161.02368	6.0
161.05988	26.3
162.03094	1.5
163.03972	5.2
164.04608	0.9
164.51752	1.0
165.03944	1.3
165.05350	1.8
171.04349	1.1
172.05179	4.3
173.02344	4.4
173.06003	38.6
173.07487	1.9
174.03104	2.1
174.06371	2.4
175.03905	6.4
175.06252	1.2
179.03371	2.8
184.03589	1.5
186.03134	1.5
187.03969	6.3
188.04669	1.2
189.05334	1.2
189.12842	1.2
191.03387	3.3
191.05394	2.7
193.05045	1.6
199.03908	4.3
200.04633	1.2
201.09113	4.0
203.03464	8.4
204.04085	1.4
211.03952	1.3
213.09067	1.9
217.01393	3.3
219.02884	2.8
223.07668	5.9
225.05586	1.3
225.09261	1.6
226.06290	1.1
227.03429	2.0
228.04251	1.7
229.01346	3.7
229.08578	2.3
233.05962	1.2
234.05533	1.2
235.07506	1.4
236.04749	1.3
237.05460	1.3
238.06287	1.2
239.07086	3.7
241.08643	3.3
243.02856	2.0
249.05502	7.0
249.07727	3.0
250.06367	2.0
251.07097	27.2
252.07494	2.2
253.05054	2.4
253.08647	3.1
254.05696	2.8
255.02953	1.8
256.03647	3.8
257.04449	1.1
261.05518	2.1
263.07181	1.4
264.04199	2.6
265.05014	3.8
266.05624	1.8
267.06549	4.9
268.07217	2.0
269.04718	2.5
269.08102	9.2
269.98004	1.1
271.02985	0.9
271.06076	6.9
276.04309	2.4
277.05045	26.6
278.05661	5.0
279.06595	20.8
280.03745	1.7
280.07214	3.3
281.04486	3.4
282.05292	9.3
283.06097	2.0
284.06683	1.8
286.08359	1.9
293.04526	5.8
293.07843	1.5
294.05328	6.1
294.08328	1.5
295.06027	15.4
296.06842	4.7
297.07660	48.6
298.07968	4.8
299.02103	1.2
299.09183	3.5
305.04565	13.9
306.05081	2.4
307.05844	3.2
308.06747	1.9
309.07635	2.6
310.08429	5.8
311.09271	5.7
312.09991	37.5
313.03479	3.1
313.10266	3.4
321.04166	5.2
321.07236	1.2
322.04956	7.7
322.08286	2.3
323.05621	24.2
323.09201	2.2
324.05978	2.1
325.10623	7.0
326.11093	2.1
327.12354	49.2
328.12637	5.7
336.06329	3.3
337.07108	13.7
338.07932	26.5
339.08267	2.9
343.08282	5.5
351.08624	7.1
351.10760	8.4
353.05991	2.5
353.10300	42.1
354.10663	3.5
369.10059	1.3
370.04358	1.3
371.11377	19.1
372.11649	2.0
379.08127	5.2
382.06665	1.4
397.09265	23.5
398.09869	2.0
415.10260	4.2
423.07199	16.5
441.08356	2.3
455.11871	2.5
491.11780	2.9
513.30786	1.1
617.17438	3.0
873.34949	6.5
874.34735	1.6
899.34485	2.0
917.34589	16.7
918.34552	4.3
943.32526	37.6
944.33215	7.7
961.33441	100.0
962.33752	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	0.9
71.01252	4.9
72.99126	1.0
73.53186	0.8
85.02822	2.6
87.00755	34.1
89.02310	2.1
93.03318	1.2
95.01249	1.2
97.06489	1.0
101.02338	2.8
107.04899	2.0
108.02047	1.7
109.02841	4.4
112.29614	0.8
115.05428	1.4
117.03392	1.2
117.06955	1.1
119.04917	3.2
121.02859	2.1
121.06468	1.6
123.04426	1.5
125.09618	4.1
130.04204	1.4
130.99783	1.8
131.04921	2.8
133.06523	2.5
135.04448	6.4
137.02301	1.0
139.00299	0.8
143.04945	8.1
145.02859	4.9
145.06438	1.4
146.03633	15.3
147.04434	24.5
148.05254	4.5
149.02391	1.2
149.05991	48.7
150.06409	1.2
157.06461	2.7
159.04428	19.9
159.08022	1.1
160.05136	3.8
161.02354	2.1
161.05991	33.7
162.03148	4.0
162.06560	1.2
163.03934	19.3
164.04587	2.2
171.04448	10.2
172.05220	7.7
173.02347	3.7
173.05978	7.3
174.03143	18.4
174.06560	1.3
175.03917	7.7
175.07558	4.7
176.04536	1.4
183.04298	1.0
184.05119	1.6
185.06001	14.0
185.11742	11.9
186.06696	4.8
187.03951	15.5
187.07582	23.0
188.04716	26.8
189.05501	46.1
190.06042	3.9
193.05016	14.3
197.05949	1.5
199.03983	1.1
200.04669	2.5
201.05501	11.2
202.06233	3.5
203.07080	21.8
204.07413	1.4
205.04955	2.0
209.11865	1.5
210.06834	1.6
211.03804	1.2
211.13440	1.1
212.04796	1.1
213.05545	3.9
214.06273	4.5
215.03549	1.6
218.05705	1.8
223.07547	0.9
227.07094	1.0
229.05040	8.1
231.02965	1.8
233.04533	3.2
234.13106	0.9
237.04054	16.0
240.04205	1.3
247.06136	2.3
253.09288	0.9
257.04562	1.0
266.13040	1.0
271.13425	1.6
273.04034	10.1
273.14700	1.1
277.21735	13.5
278.22125	1.8
283.13443	2.2
285.14984	2.0
287.12964	1.0
289.14304	1.4
295.13382	2.2
295.17053	2.1
301.14508	1.9
309.15140	1.1
311.16666	5.3
313.14618	6.3
313.18030	1.6
321.14960	5.2
323.16376	1.5
329.17538	2.5
331.15646	1.2
339.16025	36.7
340.16437	3.4
343.08273	2.7
355.15308	1.7
357.17142	20.5
358.17477	1.6
365.13971	1.4
375.18179	2.3
383.14944	2.4
401.16083	1.7
427.14090	1.1
447.95889	1.1
458.19623	1.1
567.24878	1.2
575.24329	1.1
593.26331	5.1
601.95044	1.0
604.42163	1.1
611.26849	2.7
637.25122	2.4
655.26727	2.5
827.46478	3.4
828.46326	1.1
835.46356	3.2
853.47308	14.2
854.47791	2.8
871.48413	10.6
872.48669	2.9
879.45294	2.1
897.45880	8.5
898.47131	2.0
915.47430	14.2
916.47717	3.2
923.44257	1.9
941.45557	9.8
942.45728	2.6
959.46552	100.0
960.46808	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25790	2.6
70.17274	9.8
71.01264	5.5
75.00789	2.5
87.00748	9.0
88.98679	8.0
89.02312	4.2
91.05399	4.3
93.03327	4.0
95.04901	5.4
98.20425	3.0
102.31931	2.8
105.03359	6.5
119.04905	7.2
121.02830	10.7
122.03636	3.2
125.86151	2.5
129.03325	3.8
133.02885	3.0
136.54494	2.5
137.02342	48.4
138.02679	8.4
139.03899	16.3
140.04147	3.5
145.02818	5.0
146.03694	4.5
147.03299	5.6
147.04427	100.0
147.05595	4.9
148.05212	39.5
149.05560	8.8
158.03558	3.6
161.05879	2.7
173.06084	3.0
175.02013	2.7
181.10526	2.5
191.03424	5.8
192.04211	38.2
193.04654	5.6
196.57579	3.0
207.02884	6.0
211.13335	8.7
217.01317	5.8
218.02084	8.0
223.13315	8.9
224.03204	5.0
224.13626	3.6
235.07951	3.2
236.03270	17.2
237.03687	3.6
293.21225	13.3
294.21436	5.3
295.22000	4.8
313.03241	2.9
336.64230	2.8
342.07361	4.0
397.13464	5.0
705.90649	3.9
854.47540	4.3
860.96692	3.0
898.48157	4.3
916.47980	8.8
942.46228	4.9
960.47070	54.3
961.47943	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	957.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52126	0.5
69.03336	0.6
71.01256	17.3
71.32944	0.8
71.70860	0.4
72.99184	1.2
73.02818	3.8
79.99536	0.5
83.01251	3.1
85.02824	8.3
85.99969	0.8
87.00759	4.2
88.98626	0.5
89.02322	2.6
93.86105	0.4
95.01247	2.2
96.95908	0.5
97.02843	1.8
99.00754	2.2
101.02318	7.7
101.02927	0.7
102.02659	0.5
105.66575	0.4
111.00747	1.3
112.01572	1.3
113.02324	7.8
115.28185	0.4
116.89973	0.5
119.03380	1.3
119.04937	0.5
121.02813	0.7
123.00775	0.5
124.01543	2.2
125.02331	5.0
130.58080	0.5
135.08061	2.6
137.02361	1.0
143.03418	1.3
145.02780	0.5
147.04416	1.9
148.05275	0.5
149.06042	1.0
150.06743	3.5
161.04456	1.1
163.07555	100.0
164.07874	5.3
165.61789	0.5
173.06064	0.6
176.08333	0.8
192.04256	0.8
201.09213	0.6
201.11143	0.5
211.13245	0.6
218.02110	0.6
243.10370	0.7
255.06584	0.6
270.73874	0.5
285.03952	0.6
293.21417	0.7
313.03531	0.8
343.08197	1.1
442.21371	0.5
446.33914	0.6
461.30237	1.0
461.36346	8.7
462.36420	0.7
531.36926	1.1
587.39514	1.5
605.40546	55.0
606.40985	9.4
623.41595	31.8
624.42078	5.1
647.41663	17.7
648.42004	3.1
665.42670	54.1
666.43036	10.2
707.43634	6.4
708.44250	1.8
749.44690	7.5
750.45422	2.1
767.45874	10.4
768.46063	2.2
785.46893	2.9
809.47229	3.9
810.47217	0.8
827.47943	6.7
828.48181	1.3
869.48126	1.2
895.50500	0.7
957.44196	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	958.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01745	0.3
68.99682	1.1
69.03313	0.8
70.40571	0.6
71.01254	18.6
72.99199	1.5
73.02441	0.4
73.02816	5.4
75.00746	8.5
83.01254	2.9
85.02825	15.4
85.99961	0.8
86.56791	0.3
87.00750	5.3
87.04379	1.9
89.02317	2.7
95.01269	2.2
99.00760	8.3
101.02326	2.9
103.03867	0.9
111.00765	0.3
112.01505	0.4
113.02332	7.6
115.00240	0.3
115.03890	2.4
119.03355	0.4
131.02483	0.3
131.03404	5.0
132.03755	0.3
139.00246	0.4
143.03409	3.6
145.04941	0.7
147.04449	0.4
149.06136	0.3
157.01300	0.8
163.06026	0.8
163.07547	2.7
164.07912	0.6
205.07146	2.7
439.35779	2.0
440.36472	0.5
482.23926	0.3
509.40350	1.4
510.40634	0.3
553.39166	0.3
599.39429	0.4
605.40430	0.7
606.41028	1.3
623.41473	0.4
624.41284	0.6
647.41840	0.4
665.42828	0.5
666.42896	1.2
733.53625	0.3
877.49359	0.5
895.50568	100.0
896.50958	23.3
958.48816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41338	41.3
69.41742	100.0
84.22832	17.1
122.76497	17.6
255.23351	18.0
320.62338	20.4
348.73965	20.8
447.99527	19.8
503.66449	18.8
507.74615	18.6
576.40680	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	959.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.9
69.23525	4.7
69.23948	3.2
71.01260	3.7
75.00752	1.1
82.67707	0.7
85.02829	1.6
87.00761	2.3
89.02332	1.8
93.03342	0.7
95.01266	0.9
95.04884	1.1
95.61253	0.8
98.19807	1.2
101.02323	4.4
103.05412	0.9
105.03342	0.9
108.02083	0.8
109.02824	1.4
113.02288	1.1
119.03383	0.7
119.04910	1.8
121.02797	1.7
122.03649	1.0
124.01533	1.0
129.03345	1.2
133.02901	1.3
135.04404	1.3
137.02359	9.3
139.03922	2.6
143.04823	1.0
145.02843	1.2
146.03653	3.1
147.04419	33.1
148.05228	7.3
158.26392	0.8
159.04431	12.8
160.05197	5.0
161.05978	8.2
171.04414	1.1
172.05205	9.2
173.06000	23.5
174.03152	3.1
174.06790	7.2
175.03888	2.6
175.07419	1.2
176.04652	1.3
183.13722	0.8
185.06032	5.3
186.06796	8.8
187.03929	7.4
187.07581	7.0
188.04675	2.2
188.08305	2.7
189.05460	8.0
189.09126	0.9
191.03447	1.6
192.04198	4.5
195.13821	3.1
196.05229	2.3
197.05981	7.2
198.06738	3.9
199.07605	2.6
200.04715	3.2
200.08311	3.6
201.05502	13.7
201.09111	2.8
202.05968	1.8
204.04277	0.8
209.11780	0.9
211.03969	1.4
211.07541	3.4
211.13306	6.2
212.08176	1.7
213.05518	2.6
213.09076	1.6
214.06290	1.9
215.07065	9.2
216.07866	16.3
217.05464	0.7
217.08292	1.2
218.05762	1.6
225.09116	1.1
227.07170	1.0
229.08722	0.8
229.12334	0.9
236.03163	1.3
241.04796	1.1
241.12482	1.7
242.05794	2.1
245.11592	1.0
253.09126	0.9
253.15945	1.2
255.13957	1.1
257.15396	1.0
258.22937	0.8
260.06909	1.5
269.11807	1.0
269.15424	1.7
271.13440	1.7
271.16818	0.9
283.13409	5.7
284.13681	1.2
285.15140	6.2
291.19601	0.8
293.21191	3.2
293.87607	0.8
295.17133	1.1
297.14978	45.9
298.15274	3.5
299.13013	1.1
300.13708	4.1
301.14331	2.3
305.15421	1.6
311.12897	5.9
311.16293	1.5
312.13596	2.1
313.14453	1.8
313.18045	4.3
315.15973	11.3
316.16180	1.0
321.14917	1.3
322.15588	1.1
323.16547	23.3
324.16956	1.8
325.14459	1.8
329.14066	1.9
330.14667	0.9
339.15952	2.8
341.17581	42.6
342.17822	5.5
357.17166	1.6
359.18668	8.6
367.15457	2.7
385.16614	4.6
403.17520	1.8
411.14304	1.5
577.26477	3.0
595.27533	5.1
621.25690	2.0
639.26837	5.2
640.27710	1.2
731.51233	0.9
841.45166	1.2
853.47089	2.3
871.48083	8.3
872.49017	1.6
897.46674	4.6
898.46130	1.3
915.47491	32.9
916.47839	4.7
923.43640	1.1
924.24176	0.9
941.45404	14.8
942.45520	2.9
959.46448	100.0
960.46722	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	959.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	1.0
69.03335	1.3
70.77044	0.7
71.01256	9.0
71.25152	1.0
72.30128	0.6
72.99170	1.0
73.02803	1.1
75.00744	2.3
76.88612	0.6
77.82160	0.7
83.01244	1.3
84.27523	0.6
85.02816	4.3
87.00769	4.0
88.98653	1.2
89.02313	1.9
91.05402	1.1
92.76056	0.7
92.89252	0.7
93.03346	1.3
95.01247	1.1
95.04901	1.6
99.00758	1.9
101.02347	3.5
103.05434	1.3
105.03347	1.7
108.02060	1.1
109.02813	1.9
113.02319	3.1
119.04898	3.0
121.02811	2.8
121.05713	0.7
122.03612	1.0
129.03334	1.2
131.03389	0.8
133.02808	1.9
135.04417	1.8
137.02333	7.2
139.03885	2.6
143.03320	0.9
144.05695	0.7
145.02866	1.2
146.03624	4.2
147.04424	36.2
148.05228	8.3
149.05977	1.6
159.04402	12.2
160.05234	4.0
161.06006	6.3
164.04672	0.9
172.05212	8.5
173.06015	23.9
174.03081	4.5
174.06738	3.9
175.03836	2.2
175.07617	1.4
176.04594	1.9
183.04425	1.1
185.06003	5.3
186.06808	5.8
187.03946	7.1
187.07524	6.5
188.04626	2.8
188.08319	2.2
189.05515	8.6
191.03377	2.4
192.04202	2.5
193.04791	1.4
195.13820	2.8
196.05267	2.7
197.06029	6.7
198.06816	3.5
199.07538	2.5
200.04649	3.7
200.08391	3.6
201.05516	12.9
201.09077	2.2
202.05833	1.3
207.10173	1.5
209.11736	2.7
210.06598	1.1
211.07600	3.5
211.13303	4.1
212.04784	0.8
212.08289	1.9
213.05452	2.3
213.09105	1.7
214.06223	2.0
215.07074	6.6
216.07867	15.4
217.08139	1.0
218.02119	1.9
218.05818	2.1
223.13326	1.7
225.09158	1.2
225.11139	1.6
225.14879	0.9
226.09766	0.9
227.07050	0.9
229.08621	1.8
232.03664	0.9
241.12299	1.7
242.05765	2.3
244.07484	0.8
255.13968	1.6
257.15460	1.5
260.06894	2.6
267.13757	1.5
268.11145	1.1
269.11862	1.3
269.15396	2.0
271.13428	1.3
271.17032	1.0
275.20172	1.9
283.13394	5.7
285.14993	4.4
293.21191	8.3
295.17139	2.6
296.17413	1.0
297.14963	37.9
298.15332	3.4
299.12961	1.1
300.13678	2.8
301.14240	2.0
311.12827	5.7
311.16437	1.5
312.13541	2.4
313.14639	1.2
313.18097	4.9
315.16025	7.0
321.14819	1.3
323.16501	21.4
324.16833	1.9
325.14426	2.8
329.13858	1.4
339.15997	2.1
341.17560	40.2
342.17935	3.8
349.14328	1.5
359.18585	3.6
367.15384	4.5
385.16580	3.7
411.14111	0.9
554.45825	0.8
577.26416	1.6
595.27478	2.7
621.25562	2.0
623.25775	1.3
630.42517	0.9
639.26520	3.8
853.47028	2.4
854.48547	0.9
871.48260	8.8
872.48877	1.6
894.48956	1.0
895.50433	3.4
896.50043	12.6
897.46948	5.1
899.46454	2.3
915.47552	25.8
916.47833	5.7
941.45398	13.7
942.45813	3.5
959.46417	100.0
960.46698	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.0
69.23982	0.6
69.24308	5.4
69.99497	0.5
70.04153	0.5
71.01254	23.6
72.99181	1.7
73.02821	4.8
75.00739	1.0
81.03358	0.9
83.01259	2.9
85.02824	12.2
85.99989	1.2
87.00761	3.1
89.02320	6.0
90.30389	0.4
95.01275	2.9
97.02805	2.6
99.00773	2.6
100.66634	0.4
101.02319	9.4
112.01540	0.7
113.02329	11.8
114.84023	0.5
119.03392	2.0
124.01558	1.6
124.80978	0.6
125.02334	6.8
128.33810	0.5
130.99759	0.7
135.08087	3.0
137.02374	1.7
142.02547	0.7
143.03397	2.2
147.04425	2.1
148.05173	1.1
149.06029	2.5
150.06747	2.6
159.02873	0.8
160.01511	0.6
161.04472	0.9
163.07555	100.0
164.07904	6.0
175.03918	0.7
191.03433	0.6
192.04214	1.5
193.04990	2.0
236.03218	1.4
237.03999	1.0
314.03799	0.5
360.90640	0.6
443.35452	1.3
446.34262	1.2
461.36377	11.3
462.36661	1.6
487.38254	0.7
531.36902	1.2
564.79150	0.6
587.39447	0.6
605.40582	55.9
606.40894	10.2
623.41614	38.1
624.41907	6.8
628.27966	1.7
628.78217	0.5
635.81927	0.6
647.41656	18.8
648.41760	2.9
650.64362	0.5
665.42700	61.7
666.43030	10.5
678.36328	0.6
707.43774	7.4
708.44269	1.8
731.44458	0.9
749.45020	8.3
750.45056	1.8
767.45819	11.2
768.45892	2.4
785.47028	2.8
786.47589	0.7
809.47131	5.8
810.47540	1.5
827.47955	10.3
828.49164	1.5
869.48566	1.2
957.42688	0.9
979.56085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	18.4
72.99200	1.2
73.02820	4.0
80.40046	0.7
81.03352	1.0
83.01266	3.5
85.02831	10.2
87.00760	3.3
89.02322	3.7
89.73635	0.7
95.01282	1.7
97.02840	1.8
98.19769	1.8
99.00790	1.4
101.02339	9.7
104.86086	0.6
111.00752	0.9
113.02337	10.0
115.03954	0.7
118.51974	0.7
119.03378	0.8
121.02841	0.8
124.01550	2.3
125.02332	5.5
135.08061	2.9
137.02452	0.7
143.03438	1.5
147.04448	1.3
149.05963	0.8
150.06776	2.7
159.04364	0.6
161.02240	0.7
161.04492	1.1
163.07564	100.0
164.07925	4.4
211.13327	2.0
229.81354	1.0
239.07118	0.8
294.85837	0.7
313.03378	0.7
343.08325	0.7
414.20081	0.7
444.32532	0.9
459.34879	10.5
460.35004	1.0
464.72226	0.7
493.93384	0.7
529.34668	0.8
585.37207	1.4
603.39038	51.6
604.39532	6.3
621.40137	32.0
622.40332	5.2
645.40106	16.9
646.40857	2.6
663.41168	49.5
664.41388	9.1
705.42133	5.3
706.41595	0.7
747.43201	7.0
748.43744	1.5
765.44379	11.7
766.45386	2.1
774.50409	0.7
778.37610	0.7
783.45984	2.1
807.45221	4.2
825.46252	6.1
826.47809	0.9
867.47449	1.5
955.43408	3.3
956.43701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	0.5
68.80605	0.4
68.99686	1.8
69.03327	0.8
71.01252	23.5
72.99188	2.5
73.02820	6.5
75.00742	9.9
83.01257	3.2
85.02827	14.5
85.99964	2.3
87.00748	8.5
87.04390	2.6
89.02315	5.3
95.01265	4.7
97.02827	0.8
98.20595	0.8
99.00758	14.6
99.04368	0.4
101.02318	7.6
103.03887	1.6
112.01564	1.0
113.02332	9.1
115.00239	0.6
115.03913	2.4
119.03397	1.2
125.02348	0.9
131.03407	4.0
137.02336	0.8
139.00298	0.4
143.03397	4.2
145.04921	0.9
148.05180	0.6
157.01285	0.9
161.04402	0.7
163.06021	1.0
205.07085	2.3
209.11801	0.5
320.63565	0.5
324.46637	0.4
339.15988	0.7
453.33838	1.2
469.33261	2.3
471.34933	4.0
513.35718	1.6
539.37415	5.5
540.37701	0.7
553.35406	1.4
567.36603	0.8
585.37878	8.8
586.38354	2.0
603.38885	1.7
629.37042	4.4
630.37128	1.0
706.61658	0.5
747.42657	0.9
893.49274	1.4
899.64447	0.4
937.47675	1.9
955.49011	100.0
956.49426	26.5
956.69415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	1.6
69.03314	1.1
71.01253	22.2
72.01598	0.3
72.99171	1.3
73.02814	5.8
75.00748	10.2
78.20541	0.3
83.01246	3.3
85.02822	17.4
85.99961	1.3
87.00751	6.2
87.04391	2.1
89.02335	2.9
95.01259	2.0
98.04129	0.5
98.20564	1.1
99.00755	9.7
101.02327	3.4
103.03871	1.0
109.45764	0.3
111.00749	0.6
112.01563	0.5
113.02326	9.2
115.03910	1.7
119.03452	0.5
121.38567	0.4
124.62380	0.3
125.02277	0.4
131.03398	5.8
139.00291	0.3
143.03380	4.7
145.04901	1.0
146.03787	0.4
157.01344	1.0
163.06049	0.7
172.53725	0.3
196.05113	0.3
205.07106	2.0
213.05450	0.4
214.06186	0.4
218.05916	0.4
229.95630	0.4
274.42935	0.4
274.72409	0.3
298.47665	0.4
321.14911	0.8
339.15930	1.2
407.79108	0.4
437.34351	3.5
438.34631	0.8
439.35849	0.5
470.07889	0.4
507.38318	1.2
508.39368	0.5
509.11398	0.4
551.37177	0.5
597.38361	0.5
869.46393	0.7
875.47644	0.6
893.49036	100.0
894.49286	27.1
913.45898	0.6
957.45276	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	957.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	0.9
71.01254	19.4
71.54114	0.4
71.54516	0.6
72.99168	1.1
73.02819	4.3
75.00798	0.6
77.39323	0.5
81.03342	0.5
83.01250	3.4
85.02824	11.7
85.99954	0.8
87.00738	3.2
89.02332	3.7
89.32000	0.4
95.01259	2.7
97.02842	1.6
99.00762	2.6
101.02327	8.1
111.00768	1.1
112.01527	0.6
113.02332	9.6
119.03391	1.6
121.02861	0.6
124.01547	1.2
125.02350	5.6
135.04385	0.5
135.08061	3.9
137.02299	1.2
139.03860	0.6
139.12907	0.4
142.02597	0.7
143.03400	1.4
147.04405	1.8
148.05255	1.0
149.05972	1.8
150.06790	3.0
151.17096	0.5
160.01535	0.6
161.04434	1.0
163.07559	100.0
164.07899	4.5
175.03979	0.5
176.08305	0.5
192.04254	1.1
193.04880	0.7
211.13371	0.7
236.03221	0.7
268.03723	0.6
283.06281	0.6
337.32617	0.5
443.34906	0.7
446.33911	0.8
461.36362	9.6
462.36667	1.9
531.36957	1.0
587.39569	1.1
588.04132	0.5
605.40582	53.4
606.40881	8.0
623.41632	35.7
624.41901	6.8
647.41705	17.9
648.41815	3.5
665.42719	54.3
666.43115	10.4
707.43695	7.4
708.43555	2.1
731.43323	0.6
749.44830	7.9
750.45197	1.9
767.45959	11.6
768.45795	2.2
785.46179	2.5
809.46515	4.5
810.47296	0.9
827.47894	6.8
828.48840	1.4
869.49115	1.4
870.49683	0.7
957.45135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.0
71.01257	14.0
71.33104	0.6
72.01594	0.6
72.99183	1.3
73.02813	2.4
75.00740	0.6
78.95782	0.5
81.03330	0.7
83.01264	1.4
85.02831	3.2
87.00751	4.3
89.02321	14.0
91.03921	0.3
91.61184	0.3
92.25121	0.3
95.01280	1.2
95.04935	0.3
96.95888	0.4
97.02830	2.5
97.06439	0.4
99.00760	1.2
101.02325	10.6
109.02837	0.6
111.00848	0.4
111.04411	0.4
113.02332	5.8
113.09603	1.6
119.03398	3.6
121.02863	0.4
123.04407	0.4
125.02341	6.0
128.78391	0.3
131.03404	0.4
133.04944	0.5
135.02895	0.5
138.46805	0.4
139.03958	0.5
141.01752	0.5
143.03377	2.0
146.62560	0.4
161.04469	3.1
171.10249	0.4
179.05516	2.3
179.14343	1.0
181.12335	0.8
195.13849	14.5
196.14201	0.9
199.05983	0.5
209.11777	1.3
221.06619	0.7
235.05916	0.3
235.08174	5.3
237.81229	0.3
253.09262	1.1
255.23280	33.7
256.23572	3.1
263.07718	0.6
277.21732	13.3
278.22137	1.3
287.07727	2.2
295.22784	100.0
296.23117	8.3
305.08786	2.6
306.09177	0.3
323.09875	0.6
379.12778	0.4
397.13504	60.9
398.13803	4.3
415.14581	18.3
416.15070	1.3
421.24887	0.4
560.08118	0.4
653.37622	4.7
654.37775	0.6
887.47156	0.5
905.49475	0.4
949.55237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
70.37628	0.9
71.01254	15.7
72.99177	1.5
73.02813	1.8
75.00768	0.6
77.44544	0.2
79.89464	0.2
81.03352	0.7
83.01256	1.3
83.04917	0.5
85.02824	4.1
87.00743	4.0
89.02323	12.1
91.03926	0.3
93.03371	0.3
95.01279	1.7
95.04977	0.3
97.02838	2.1
99.00791	0.9
101.02322	10.7
111.00769	0.4
111.04455	0.5
111.08074	0.4
113.02334	6.6
113.03063	0.4
113.09620	0.4
114.02671	0.3
115.03925	0.3
119.03386	3.4
121.54372	0.2
125.02346	4.7
131.03450	0.7
133.04984	0.4
139.00354	0.3
140.13344	0.3
143.03401	2.1
149.04454	0.6
157.23817	0.2
161.04459	2.6
171.10220	0.8
179.05537	4.4
179.10712	0.3
179.14322	0.6
195.13831	7.9
196.14359	0.7
199.06128	0.3
203.05582	0.3
205.12346	0.8
205.16025	0.4
209.11852	0.6
211.13335	0.5
217.07127	0.3
221.06569	1.8
223.11346	0.5
223.13373	5.1
224.13889	0.4
228.13612	0.6
231.21071	0.3
235.08183	4.6
235.16957	0.4
239.12823	0.3
247.56476	0.2
253.09267	0.9
256.13116	1.4
263.07565	0.4
265.21686	0.5
275.20151	7.7
276.20471	0.7
277.21725	41.2
278.22049	3.7
287.07739	1.5
293.21225	100.0
294.21542	8.8
305.08716	1.5
317.21082	0.7
323.09824	1.0
361.10669	0.3
371.55115	0.3
379.12479	3.5
397.13504	28.7
398.13763	2.7
403.32275	0.3
415.14529	11.1
416.14682	0.8
475.66647	0.3
673.34222	0.9
675.35791	0.4
691.35114	1.1
873.28278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.6
69.03323	0.6
70.56230	1.4
70.56618	1.1
71.01254	36.9
72.01569	0.8
72.99190	3.5
73.02438	1.0
73.02821	10.9
75.00743	17.4
78.95797	0.8
81.20518	0.6
83.01257	6.1
83.04887	0.6
85.02821	26.7
85.99956	1.8
86.03167	0.8
87.00750	13.4
87.04408	4.0
88.98678	0.6
89.02328	5.2
93.03349	0.7
95.01254	3.5
96.95879	1.3
99.00756	14.1
101.02307	4.5
103.03911	1.3
111.44113	0.5
113.02337	12.2
115.00249	0.7
115.03899	3.0
117.03375	0.5
119.03364	0.8
121.02834	2.1
125.02300	1.1
126.70818	0.6
130.10263	0.7
130.99730	0.6
131.03404	7.5
133.02812	0.6
134.03616	2.2
135.04419	0.5
137.02325	1.9
139.03885	0.7
143.03372	4.1
147.04422	1.7
148.05164	1.0
149.02328	0.7
149.05977	1.6
157.01302	1.2
159.04449	0.9
161.02313	0.7
163.03934	1.2
163.06049	1.3
165.05374	0.8
172.05194	0.6
173.06071	1.2
174.03171	0.6
175.03859	1.5
193.04988	2.0
205.06992	3.1
209.11708	0.7
215.07111	0.8
218.02158	0.8
238.05830	0.5
271.02429	0.7
300.02826	0.9
313.03592	0.9
343.08179	1.5
497.36374	1.8
567.40936	1.0
695.45105	0.6
791.36353	0.6
935.49786	1.8
953.51239	100.0
954.51489	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.548
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	1.3
69.03313	2.1
69.87887	0.9
71.01257	31.6
71.53310	1.4
72.99195	4.3
73.02828	7.5
74.41860	0.8
75.00359	1.3
75.00751	15.4
77.99985	0.9
81.26235	0.7
83.01254	4.5
85.02826	24.0
85.99988	1.3
87.00755	8.5
87.04378	2.7
88.61732	0.9
89.02322	3.8
93.38506	0.8
95.01266	4.1
96.95892	1.2
99.00757	12.9
101.02316	3.6
103.03899	1.2
103.43661	0.8
111.00818	0.8
113.02332	7.8
115.03916	2.5
116.92741	5.4
128.54306	0.7
131.03404	4.9
143.03439	6.0
145.04907	0.8
157.01366	1.3
163.06015	1.2
189.67459	0.9
201.11203	0.8
205.07097	2.8
209.11798	2.3
244.93671	0.8
253.21613	0.8
255.23297	2.0
397.13464	2.0
397.21698	0.9
408.04233	0.8
497.39886	4.1
935.54547	1.6
953.54803	100.0
954.54980	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	947.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99660	0.5
70.09982	1.2
70.10386	1.7
70.39824	0.5
71.01237	0.6
78.89907	0.6
78.95794	1.3
95.04903	0.6
98.20583	0.6
106.06471	0.6
113.84245	0.6
145.47284	0.5
147.00844	0.6
147.04391	1.7
148.04787	0.7
170.03485	0.5
173.05908	0.5
185.59689	0.5
197.02348	0.9
198.03131	1.4
201.01816	1.2
209.11720	1.8
213.01865	1.3
213.05348	0.5
214.02667	1.2
225.01961	0.7
226.02737	2.9
227.03297	1.0
239.03362	1.0
240.04161	0.7
242.02193	3.3
243.02795	0.6
254.02103	1.6
255.02910	1.3
256.03690	0.7
267.03131	0.6
268.03821	0.7
269.00955	1.7
270.01660	4.3
271.02292	0.7
278.22266	0.7
279.23166	1.3
282.01633	0.7
283.02402	1.2
284.03253	2.3
285.04001	4.4
297.00610	0.7
297.03915	1.2
298.01184	1.6
299.05661	2.0
311.01984	0.8
312.02707	3.1
313.00232	1.0
313.03568	14.6
313.06879	0.5
314.04004	1.4
314.07791	0.8
327.05145	3.2
328.05765	3.4
342.07343	1.8
342.44476	0.7
343.08255	4.6
356.09131	0.6
397.13480	1.2
445.20386	0.7
457.85092	0.6
733.57904	0.6
815.22601	0.8
889.30145	0.7
917.31152	0.9
932.34222	0.7
947.34973	100.0
948.35315	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	948.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82363	26.1
71.01277	27.7
87.00755	37.9
88.98677	19.2
89.02324	15.2
96.95869	11.3
101.02367	16.9
122.42651	10.0
123.04399	41.9
141.87526	10.0
159.04395	14.7
162.03079	17.6
175.03920	15.5
180.49840	13.2
181.04948	19.6
209.11778	90.4
211.13248	12.1
227.82214	11.0
277.21741	51.9
283.13367	31.5
292.02960	13.1
299.12851	16.4
300.13214	17.2
301.14398	20.1
311.12680	13.2
315.69159	12.3
525.09839	14.5
718.19769	13.4
868.45947	14.0
886.46594	23.3
904.48108	52.7
948.46210	100.0
949.46960	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.246
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32420	0.9
69.32928	9.1
71.01251	5.6
73.02812	1.8
85.02818	3.5
87.00751	21.9
89.00214	1.2
89.02328	1.6
93.03334	2.3
95.01247	1.7
99.00751	1.4
101.02330	4.1
104.26558	0.9
106.82768	1.2
108.02065	1.6
109.02845	3.6
113.02362	4.7
115.05425	0.9
117.03368	1.0
119.04916	1.4
120.03448	0.8
121.02850	8.1
122.03661	1.1
123.00740	3.9
123.04404	2.4
124.01537	2.1
125.02328	3.5
130.99728	2.9
131.04924	1.5
133.02881	1.4
134.03662	5.0
135.04387	2.9
137.02344	6.0
138.03091	4.8
139.03935	2.0
145.02829	3.6
146.03572	4.3
147.04436	16.3
148.04909	1.0
149.02359	2.1
149.05972	2.1
149.50607	1.0
150.03117	4.1
151.00273	1.3
151.03845	1.2
153.05498	3.6
155.07172	1.0
159.04424	39.2
160.01553	2.6
160.05217	7.5
161.02359	13.2
161.04529	1.8
161.05991	11.4
162.03168	6.0
163.00317	1.0
163.03957	5.7
164.04695	1.3
165.05475	3.2
168.29294	0.9
171.04253	1.0
172.05222	1.1
173.02348	3.8
173.04575	1.8
173.05966	13.0
174.03085	3.4
175.03935	13.6
176.04599	1.0
177.01878	1.7
187.03899	3.5
188.04723	2.6
189.01868	1.6
189.05481	3.6
190.02585	1.3
191.03419	2.6
191.05519	1.7
192.04161	1.5
193.04968	4.4
195.06461	1.4
197.06012	4.1
199.04024	1.2
199.07530	2.4
203.03355	5.0
204.04109	2.2
205.04915	2.0
209.06062	2.3
211.03967	1.6
211.07541	1.3
213.05450	1.7
215.07065	3.2
217.05125	1.1
219.02827	1.4
224.04637	1.4
225.05539	23.9
225.07602	0.9
226.05946	2.1
227.03407	2.1
227.96982	0.9
228.04179	1.7
229.01453	1.4
229.04845	1.5
239.03239	1.2
239.06998	1.2
240.04303	1.4
241.05035	4.3
242.05742	3.0
243.03035	1.2
243.06641	5.7
249.05476	1.9
251.03557	3.2
251.07088	6.8
252.04060	1.9
252.07541	1.3
253.05026	25.0
254.05554	4.0
255.02892	3.2
256.03632	3.8
257.04428	1.2
266.05457	1.4
267.06702	2.8
268.03738	1.7
269.04523	10.8
269.07843	2.0
270.05298	4.0
270.08322	1.2
271.06125	37.7
272.06671	3.1
277.04944	3.9
278.05829	1.9
279.03195	4.9
279.06345	4.7
280.03424	2.6
281.04523	15.6
282.05252	3.9
283.06085	1.4
284.03589	1.9
284.06824	4.8
285.07632	3.1
286.08478	27.1
287.08881	3.9
293.04526	2.2
294.05362	2.8
295.06027	6.5
295.09344	1.4
296.03290	2.5
296.06912	4.3
297.03995	13.6
297.07651	13.6
298.04562	2.1
298.08163	1.9
299.02097	1.1
299.06006	1.7
299.09222	8.8
300.02658	3.3
301.07669	1.8
301.10831	22.4
302.11050	2.6
305.04437	2.7
311.05530	5.4
311.09195	3.6
312.06332	12.4
312.09995	6.8
313.03604	3.0
313.07101	3.9
314.07941	2.8
322.04761	2.8
323.05682	6.0
323.08847	1.5
325.07104	14.9
325.10718	2.3
326.07892	8.7
327.08670	34.5
327.12375	17.2
328.09180	5.7
329.10315	11.6
333.09720	2.2
337.07019	4.3
338.07956	4.7
339.04950	2.0
339.08716	1.4
340.05908	2.3
343.08121	5.1
343.11917	8.4
345.09698	3.5
351.11139	7.2
352.11264	1.3
353.10312	10.9
355.08228	7.2
356.08685	1.7
369.09656	7.1
370.09903	1.3
371.11322	14.8
372.11938	1.5
387.10928	2.6
397.09238	16.5
397.14160	1.8
398.09424	2.1
399.07193	4.0
415.10236	3.9
423.07184	4.2
441.08270	8.4
459.09311	10.6
460.09589	1.4
579.14044	1.5
595.13245	2.1
771.25726	1.4
799.24506	3.2
813.26270	1.4
825.22583	1.2
841.26166	2.1
843.23260	7.6
844.24109	2.4
861.24585	15.3
862.25104	4.3
867.23584	4.4
868.23584	1.4
885.23944	2.3
903.25537	100.0
904.25916	25.7
929.23383	3.3
947.24371	5.8
948.24518	1.6
961.14691	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	948.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95075	12.3
69.95479	9.4
71.01252	35.6
72.99186	4.4
73.02849	6.9
78.95773	18.2
85.02837	11.1
87.00772	15.5
89.02306	28.0
92.77256	5.0
97.02843	7.3
101.02328	21.3
111.63567	5.0
112.59863	5.3
113.02329	11.9
113.09618	8.1
113.13000	4.8
119.03378	6.0
123.04441	7.0
125.02383	11.9
143.03384	5.7
173.05984	5.8
179.05437	5.3
187.23871	5.8
209.11755	26.2
211.13121	5.9
227.12866	6.0
235.08174	10.7
242.69897	5.5
255.23253	77.4
256.23642	24.9
277.21664	10.3
278.22107	10.0
283.13379	9.1
293.21213	43.4
294.21631	14.7
313.45532	5.0
365.23511	5.0
397.13455	100.0
398.13721	31.7
415.14545	29.6
416.14685	11.1
654.38422	6.7
840.86450	5.7
872.29718	6.8
948.47986	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	11.3
72.99159	4.3
78.95780	2.9
80.96390	1.4
83.04896	4.4
84.02028	1.4
85.02822	2.9
87.00733	4.9
88.98687	2.4
89.02313	10.2
97.02852	1.9
101.02335	10.7
113.02314	5.2
119.03342	1.6
125.02332	5.6
143.03349	1.5
147.04376	2.0
159.04257	2.0
161.04546	3.4
163.11186	3.2
165.12692	2.1
173.05942	3.8
179.05521	2.5
181.12137	1.5
209.11768	100.0
210.12083	6.3
227.12904	10.8
235.08141	4.4
253.09372	2.5
255.23351	2.3
277.21732	53.4
278.21979	6.0
291.19583	1.5
297.14923	3.2
299.16580	2.0
305.08984	2.0
342.18143	2.0
379.12366	8.1
397.13513	34.8
398.13858	2.1
415.14502	8.5
589.25037	1.9
607.25739	1.9
626.27820	1.5
675.36407	1.9
777.96301	1.8
857.47485	1.7
901.48083	2.7
945.47101	11.8
946.46649	3.0
982.72913	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	945.509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91990	0.8
71.01258	16.2
72.99179	1.6
73.02815	2.0
75.00761	2.6
78.95776	5.0
79.73347	1.1
80.02547	1.4
80.96400	2.3
81.03364	1.3
83.01245	1.6
83.04896	4.2
83.93814	0.9
85.02808	3.6
87.00759	5.5
89.02327	11.9
91.05408	1.2
95.01261	1.1
97.02847	2.7
99.00739	1.0
101.02327	10.9
111.33619	0.9
113.02347	6.2
119.03427	2.3
121.02813	1.7
125.02367	5.3
143.03387	2.4
145.98686	0.8
146.03577	1.4
147.04459	7.1
148.04898	2.0
148.45305	0.9
152.99530	3.7
159.04353	1.4
160.05034	1.2
161.04443	2.5
161.05838	1.4
163.11176	3.6
165.12788	2.8
171.00494	1.3
173.05931	3.6
174.06398	1.8
175.03629	1.0
179.05540	3.6
181.12196	1.0
182.12596	0.9
185.06004	1.4
185.11890	1.0
187.03969	2.3
188.04666	1.9
189.05411	1.9
191.10730	1.1
192.04207	1.1
193.04871	1.0
197.05949	1.3
200.04689	1.0
201.05402	2.1
207.10248	1.0
209.11783	100.0
210.12047	4.9
215.07082	1.2
216.07799	2.0
225.00716	1.3
225.11143	1.6
227.12872	11.7
231.14209	0.9
235.08224	3.7
245.04250	1.5
253.09177	1.8
265.81039	1.0
277.21732	68.4
278.22116	5.9
283.13263	1.1
287.07584	1.4
287.16504	1.4
297.14957	5.1
298.15213	4.7
305.08755	2.3
315.15854	1.2
316.01599	0.9
316.16397	1.0
323.16510	3.1
324.16724	2.4
325.17474	1.3
341.17648	5.4
342.17847	4.0
343.18271	2.7
379.12476	9.7
397.13547	37.4
398.13757	2.7
415.14462	6.5
481.25647	2.7
607.25787	1.3
675.35797	2.2
857.48901	1.8
885.47290	2.0
901.48193	8.1
927.45740	4.3
944.47455	1.1
945.47736	31.1
946.48505	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	947.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	8.3
72.99162	1.2
73.02819	3.0
74.81715	0.9
75.00766	1.3
76.89584	0.8
83.01256	1.9
85.02824	3.4
87.00751	23.9
89.02365	1.2
91.05391	1.3
93.03333	2.9
95.01257	2.0
99.00742	1.8
101.02322	2.9
107.01341	0.8
108.02070	1.2
109.02814	4.6
111.00748	1.2
113.02327	4.9
117.03406	1.7
119.04944	2.3
121.02843	9.7
122.03597	1.3
123.00762	5.4
123.04436	2.8
124.01546	3.7
125.02375	5.0
129.03328	1.1
130.99780	2.1
131.04897	1.5
132.02040	1.2
133.02821	1.9
134.03613	4.1
135.04416	4.8
137.02345	10.8
138.03105	6.7
139.00333	1.3
139.03874	3.4
143.04947	1.8
145.02875	4.8
146.03627	4.6
147.04425	20.4
148.05118	1.1
149.02339	2.8
149.05966	2.6
150.03174	4.2
150.04221	0.8
151.00281	1.5
151.03903	2.4
152.01096	1.0
152.04681	2.3
153.05453	2.8
155.45644	0.8
159.04424	48.7
160.01546	2.8
160.05214	10.0
161.02359	21.9
161.04501	2.5
161.05977	14.8
162.03139	8.6
162.06271	1.0
163.03905	7.5
164.04680	2.6
165.05489	3.6
171.04376	1.2
172.05203	2.0
173.02367	6.7
173.04559	1.0
173.05981	16.0
174.03101	4.6
175.02493	1.8
175.03920	21.0
176.04567	1.7
177.01868	2.2
179.03337	1.6
179.07013	1.0
180.05797	0.9
185.06099	0.8
187.03983	3.7
187.07552	0.9
188.04668	2.9
189.01776	1.2
189.05449	5.5
191.03452	3.3
191.05569	1.9
192.04143	1.2
193.04988	6.1
195.06570	2.0
197.05959	3.8
199.03908	1.5
199.07550	3.1
200.04776	1.3
203.03506	6.1
204.04207	2.5
205.04955	2.5
209.06017	2.0
211.03897	2.6
211.07625	1.0
213.05498	2.2
215.03508	1.3
215.07085	3.4
217.04991	2.3
219.02878	2.4
223.07803	1.4
224.04752	3.8
225.05524	35.0
226.02716	0.9
226.05930	3.1
227.03499	3.2
227.07091	3.0
228.04196	2.5
229.01410	1.3
234.05383	1.1
235.03929	1.2
238.02809	1.1
239.03284	1.5
240.04196	1.4
241.04984	6.2
241.08694	1.0
242.05721	2.2
243.03024	1.5
243.06586	4.9
249.05493	2.3
249.07884	1.3
251.03505	5.9
251.07118	9.4
252.04128	2.1
253.05045	34.8
254.05811	5.9
255.02985	4.5
255.06554	1.9
256.03741	3.8
256.07428	0.9
261.05493	1.0
264.04248	1.0
265.05164	1.3
267.06879	4.7
268.03726	3.5
268.07254	1.7
269.04532	14.3
269.08020	3.8
269.10535	1.5
270.05255	5.8
271.02744	2.5
271.06097	51.4
272.03183	0.9
272.06522	4.6
277.05038	7.3
278.05734	2.2
279.03012	6.2
279.06479	7.5
280.03668	2.5
280.06808	1.2
281.01434	1.7
281.04544	22.3
282.05191	5.9
283.02417	1.0
283.06033	1.6
284.03168	2.5
284.06860	5.5
285.04187	2.3
285.07706	5.3
286.08466	43.0
287.08936	4.1
293.04547	2.1
294.05215	2.7
295.06073	8.6
296.03265	4.8
296.06796	5.8
297.04028	18.3
297.07648	17.9
297.10770	0.7
298.04553	3.0
298.08179	2.8
299.02078	1.1
299.05847	1.5
299.09253	9.7
300.02716	3.9
301.03409	1.5
301.10812	33.6
302.11230	3.1
305.04538	2.8
307.05850	1.3
310.08557	2.4
311.05594	6.1
311.09265	3.9
312.06357	17.4
312.10028	13.5
313.03424	2.7
313.07050	5.9
313.10544	1.8
314.07892	5.2
322.04828	3.1
323.05777	7.4
324.06091	1.0
325.03433	2.0
325.07153	20.6
325.10803	3.9
326.07895	10.6
327.08688	43.5
327.12390	23.2
328.05859	1.5
328.09277	9.1
328.12805	1.6
329.06525	1.6
329.10205	12.0
330.10672	1.2
333.09818	2.1
337.07043	6.0
338.07910	7.7
339.04922	2.8
339.08508	1.4
340.05731	1.6
341.06619	1.2
343.08148	6.5
343.11914	10.0
345.09677	3.4
351.11118	7.6
353.10364	14.8
355.08148	7.9
356.08740	2.2
359.07919	1.1
361.16452	2.1
369.09592	6.3
371.11377	16.6
372.11273	1.3
387.10742	2.2
397.09253	19.0
398.09634	1.3
399.06973	5.0
415.10605	4.4
423.06998	4.9
433.11472	1.9
441.08228	10.3
443.15533	1.1
448.46243	1.2
459.09360	12.1
460.09579	1.3
511.57135	1.1
579.13245	1.5
595.13293	3.0
693.90692	1.1
771.25739	2.1
799.23352	1.7
813.26019	1.8
841.25879	2.8
843.23541	8.0
844.23950	2.9
861.24475	16.2
862.24518	2.8
867.23749	6.3
903.25574	100.0
904.26044	23.2
929.23596	2.0
947.25464	4.3
948.22534	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	945.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	0.7
71.52458	0.6
87.00751	17.7
88.01070	0.4
99.00773	0.5
105.25729	0.4
107.01257	0.6
109.02843	0.8
115.00250	0.5
128.36363	0.4
130.99741	2.5
145.06581	0.5
146.03595	0.9
147.04404	1.2
149.06003	0.9
151.00237	1.1
155.04974	0.7
158.03748	0.5
159.04404	3.8
160.05188	0.7
161.05978	2.1
163.03908	1.0
171.04419	0.6
171.08054	0.6
172.05237	2.6
173.05995	14.4
174.03181	1.3
174.06638	1.3
175.03862	0.7
175.07527	1.0
178.99783	0.8
181.06433	0.6
183.04375	0.5
185.05951	1.9
186.06764	1.5
187.03943	3.0
187.07600	3.4
188.04709	7.8
189.05542	2.9
189.09116	2.0
193.04968	0.4
196.05263	0.7
197.05927	1.9
198.03178	0.4
198.06758	1.3
199.04002	0.5
199.07576	5.7
200.04886	0.5
200.08206	1.1
201.05511	5.0
201.09163	1.5
202.06227	3.0
203.07014	1.8
204.04153	0.5
204.07750	0.4
209.06102	2.1
210.06677	0.4
211.03925	0.5
212.04726	2.3
213.05464	1.2
214.06250	2.1
215.07083	2.1
215.10715	1.3
216.04135	0.5
216.07678	0.7
217.08650	8.5
217.12202	0.6
218.08920	0.7
218.51869	0.4
225.05504	1.3
225.09068	2.3
226.06294	0.9
227.03580	0.7
227.07091	9.4
228.07466	1.0
230.05859	1.3
237.03893	0.4
241.08679	0.7
243.02963	1.2
243.06642	1.4
243.10255	6.0
244.07292	0.6
244.10434	0.5
245.08182	8.9
246.08435	0.8
254.04326	0.6
255.02948	2.8
259.09802	3.5
261.11279	1.7
269.08368	1.0
271.02487	6.4
271.06100	6.8
272.02914	0.8
272.06104	0.5
287.09290	1.8
300.02753	11.6
301.03290	2.7
305.10318	0.5
313.07153	0.6
331.08206	2.4
337.86505	0.4
345.47647	0.4
349.09277	100.0
350.09616	9.2
421.84976	0.4
509.85925	0.4
595.13031	18.3
595.22754	0.9
596.13458	3.1
634.03271	0.4
770.59167	0.4
966.62109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18708	0.7
69.03319	0.9
71.01258	12.9
71.37676	1.6
72.99184	1.5
73.02821	1.9
73.36177	0.7
75.00753	1.3
78.95798	1.5
80.96389	1.0
81.03322	2.0
83.01278	1.8
83.04903	4.8
85.02814	3.8
87.00764	3.4
89.02319	9.7
95.01241	1.3
95.04931	0.9
97.02822	3.0
99.00770	0.8
101.02319	10.7
109.02818	0.8
113.02340	5.5
119.03388	2.9
121.02852	1.0
125.02361	4.3
137.02341	1.6
139.03935	1.8
143.03322	1.4
147.04466	7.7
148.04912	2.5
152.99478	1.1
159.04414	3.0
160.05099	1.1
161.04472	2.6
161.05977	2.0
163.11183	3.8
165.12802	2.0
169.22282	0.7
172.05124	2.3
173.05974	5.5
174.06506	2.7
175.03758	1.1
179.05508	2.8
181.12206	0.8
186.06761	1.8
187.03860	1.5
187.07561	1.8
188.04503	0.7
189.05469	1.9
190.05843	0.8
191.10640	1.2
192.04112	1.0
196.05214	0.9
197.05966	1.8
198.06422	1.1
200.08075	1.0
201.05490	3.0
202.05699	0.9
207.10323	0.8
209.11780	100.0
210.12140	6.0
211.13290	1.8
215.07091	2.4
216.07890	3.9
217.08203	1.3
221.06799	1.1
225.11221	1.7
227.12831	8.9
235.08182	4.9
253.09247	1.7
277.21741	53.9
278.22052	6.9
279.22476	0.8
283.13281	0.8
285.14966	1.4
286.15125	1.2
287.07724	0.8
297.14847	7.7
298.15350	6.1
299.15646	2.0
302.14737	1.0
305.08704	1.5
311.12836	1.5
314.18500	1.0
315.15823	2.0
316.16275	0.9
323.16660	4.5
324.16833	4.0
325.17227	2.4
341.17560	6.4
342.17871	6.9
343.18253	3.0
356.05185	0.8
359.18619	1.5
379.12479	9.5
380.13763	0.8
385.83191	0.8
397.13477	28.6
398.13824	2.8
415.14511	6.2
476.97757	0.8
589.24762	2.0
596.28052	1.2
607.26178	2.5
721.69824	0.9
839.47662	1.0
857.49713	2.5
883.47784	1.5
885.47858	1.7
900.48419	1.7
901.48895	11.1
902.49219	1.2
927.46472	5.6
928.48926	0.8
944.47205	1.2
945.47668	34.8
946.48035	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	943.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	8.9
71.53342	3.3
73.02820	3.5
85.02847	4.8
87.00745	11.4
93.03303	3.9
94.22591	2.5
95.01289	3.5
97.06425	4.3
99.00732	13.6
101.02296	3.4
105.03362	3.4
108.02046	6.0
109.02839	7.1
113.02317	6.3
119.04903	4.5
121.02843	18.7
121.48401	2.4
123.00761	10.2
123.04387	3.1
125.02341	8.4
131.04939	4.5
131.24254	2.5
133.02863	2.6
134.03603	4.1
135.04440	2.2
137.02332	14.7
138.03104	12.7
143.04922	3.3
145.02890	5.1
146.03589	6.4
147.04408	38.9
148.05190	4.5
149.02310	4.9
149.05989	5.7
151.00230	3.0
152.01041	6.6
153.05490	5.9
159.04428	100.0
160.05260	16.4
161.02332	7.9
161.05984	36.9
163.03918	8.3
164.04675	4.0
173.02415	6.1
173.05995	41.2
174.03024	5.6
174.06390	4.4
175.03975	5.6
177.01836	2.8
187.03900	13.7
191.03426	9.0
191.05342	3.4
192.03989	2.3
193.04909	6.4
203.03444	11.3
217.01331	5.6
217.12202	3.1
219.02994	3.4
223.07605	3.8
225.09172	2.7
227.03415	3.9
229.01471	4.4
233.06273	2.7
249.05565	9.5
250.06151	3.1
251.07166	19.4
252.07587	3.1
253.05005	12.2
253.08630	3.9
256.03613	2.6
263.04086	3.1
266.05896	3.3
267.03241	2.9
267.06708	7.2
269.04416	3.6
269.08170	8.2
271.02750	3.1
271.06131	8.2
277.05038	22.5
278.05835	5.3
279.06641	23.3
280.07352	5.2
281.04599	5.9
282.05347	9.5
283.05872	3.6
286.08362	2.7
289.10776	7.0
293.04617	8.7
294.05350	5.9
295.06091	15.2
295.09088	3.5
296.06796	7.1
297.07666	56.5
298.07993	3.8
299.09290	3.3
300.02637	3.6
305.04724	13.0
307.05896	4.0
310.08417	5.8
311.09204	8.7
312.09988	38.9
313.10480	5.1
321.04086	3.8
322.04889	9.8
323.05707	27.9
325.06989	2.8
325.10855	6.7
327.12344	68.0
328.12656	8.3
329.06631	3.2
333.09897	18.0
336.06393	2.7
337.06964	15.1
338.07962	35.3
343.08112	6.5
347.51859	2.6
349.09570	2.7
351.08682	9.8
351.10843	17.3
353.10281	59.8
354.10571	5.7
371.11307	21.6
379.08133	4.3
397.09207	30.4
398.09702	3.8
408.04636	3.4
415.10373	8.1
423.07260	30.7
443.13425	11.6
487.12332	10.2
488.12473	3.6
545.16840	7.5
547.13995	3.3
589.15411	8.8
615.13611	3.5
733.41132	2.7
735.17871	3.8
899.34363	5.8
925.31030	31.0
926.31610	12.6
943.32458	97.4
944.32825	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03351	1.2
70.54787	2.4
71.01260	5.5
85.02796	1.5
87.00742	1.4
89.02298	1.3
91.05457	1.9
95.01232	1.0
95.04890	2.4
99.00776	1.2
101.02326	3.9
103.05428	1.1
105.03328	1.5
108.02035	1.1
109.02826	1.2
119.04913	3.6
121.02861	3.2
129.03323	1.5
133.02846	2.3
135.04465	2.2
137.02336	9.0
139.03899	2.1
144.05748	1.1
145.02867	1.7
145.06424	0.9
146.03630	4.0
147.04430	40.4
148.05232	8.3
159.04431	12.8
160.05212	5.0
161.06001	9.0
163.03873	1.2
163.84122	0.8
172.05228	12.5
173.06001	31.0
174.03160	4.1
174.06799	4.6
175.03868	1.4
176.04683	1.4
183.04466	1.5
185.05992	5.3
186.06778	8.4
187.03949	8.0
187.07544	9.1
188.04659	2.0
188.08328	2.5
189.05486	10.4
190.06052	0.9
191.03456	1.3
192.04207	4.7
196.05196	2.2
197.06073	6.7
198.06721	5.2
199.04031	1.2
199.07547	2.7
200.04677	4.8
200.08408	4.1
201.05510	17.0
201.08998	2.8
202.06149	0.8
207.10226	1.6
210.06978	1.0
211.07596	2.7
211.13286	4.5
212.08409	1.5
213.05495	2.0
213.09142	1.3
214.06252	1.6
215.07091	9.2
216.07864	19.1
217.04924	0.9
217.08113	1.1
218.02203	1.3
220.09398	0.8
224.04753	1.1
225.09280	1.3
225.11307	1.2
226.09981	1.3
232.03767	1.3
236.03156	1.1
241.12343	1.5
242.05782	2.0
255.13840	1.9
257.15485	2.0
260.06918	2.3
268.10999	1.2
269.15588	2.4
271.13300	1.8
277.21753	20.6
283.13330	6.8
285.15021	7.9
295.16971	2.8
297.14975	45.0
297.18311	2.4
298.15305	3.3
300.13754	4.7
301.14386	2.1
311.12881	7.0
311.16483	2.1
312.13538	2.7
313.14505	1.9
313.18115	7.0
315.16043	7.4
316.16507	0.9
321.15051	1.0
323.16534	31.9
324.16873	2.6
325.14365	1.9
329.13986	1.5
339.15997	2.7
341.17581	48.7
342.18091	4.1
359.18704	4.6
367.15424	5.4
370.03247	1.1
385.16647	6.7
397.13504	1.2
411.14334	1.8
577.26514	1.9
595.27515	4.3
621.25098	1.5
639.27057	4.1
710.11218	0.9
837.48004	3.3
838.46625	1.0
855.48859	12.8
856.49280	4.0
881.46533	5.1
882.48352	1.4
883.46893	1.7
899.47986	38.5
900.48535	7.1
904.03564	0.9
907.45361	1.3
911.80646	1.1
925.46014	15.3
926.47601	4.5
943.46924	100.0
944.47131	22.6
953.89148	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	943.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15774	0.6
68.99688	0.8
69.03327	1.0
71.01257	4.7
83.01241	0.7
85.02820	1.9
87.00729	0.8
87.72063	0.6
89.02326	2.0
91.05429	0.8
91.45109	0.8
93.03326	0.7
95.01247	0.7
95.04890	2.0
99.00764	0.7
101.02327	3.9
105.03333	0.7
108.02068	0.6
109.02852	1.4
113.02343	1.2
119.04905	2.7
121.02837	1.2
129.03336	1.3
130.04189	0.9
130.72034	0.7
133.02821	1.6
135.04449	1.7
136.05115	0.6
137.02351	7.5
139.00325	0.7
139.03891	2.0
144.05704	0.8
145.02844	0.7
145.06473	0.9
146.03624	3.4
147.04427	32.4
147.63292	0.7
148.05246	9.1
158.03662	0.8
158.07210	0.8
159.04428	13.9
160.05286	4.3
161.04735	1.0
161.05988	7.3
162.03017	1.0
168.75981	0.7
172.05217	10.0
173.05998	26.9
174.03127	3.8
174.06746	7.4
175.03923	2.0
175.07387	1.0
176.04721	1.5
180.05623	0.8
183.04425	1.4
185.06033	4.8
186.06802	7.8
187.03935	9.6
187.07550	7.9
188.04681	1.3
188.08270	2.3
189.05510	9.7
189.09149	1.1
191.03401	1.7
192.04205	4.0
194.07246	0.7
196.05180	2.4
197.05980	5.8
198.06805	4.6
199.03818	0.8
199.07579	4.2
200.04724	4.0
200.08345	4.5
201.05511	18.1
201.09122	2.4
202.05968	1.1
204.04059	0.8
207.10161	0.7
210.06731	0.8
211.07564	2.8
211.13353	4.9
212.04800	0.7
212.08398	2.1
213.05511	2.0
213.09111	1.3
214.06300	1.5
215.07065	7.6
216.07872	17.0
217.08279	1.1
218.02263	1.0
218.05681	1.6
225.09163	0.8
226.10022	1.2
227.03581	0.7
227.07155	1.2
236.03146	1.4
241.04941	0.9
241.12256	1.7
242.05798	1.9
242.12994	0.7
255.13789	1.2
257.11639	0.8
260.06927	2.1
267.13901	0.9
268.11047	0.9
269.15555	2.6
271.13339	1.2
277.21710	9.5
278.21957	0.8
283.13446	5.5
285.14969	5.8
295.17111	2.1
297.14966	42.3
298.15359	4.3
299.16107	0.8
300.13586	2.9
301.14288	1.6
305.15344	1.2
311.12936	7.3
311.16324	0.8
312.13452	1.3
313.14511	1.5
313.18103	3.8
315.16003	10.9
316.16309	0.9
318.14539	0.9
321.14899	1.5
323.16522	26.3
324.16882	2.3
325.14450	1.5
329.13962	1.5
339.15967	2.9
341.17566	42.9
342.17801	3.5
349.14505	0.8
357.16772	0.8
359.18564	8.1
359.79453	0.7
367.15363	2.9
385.16556	6.2
403.17581	1.4
500.72772	0.7
577.26630	4.3
595.27551	8.9
621.25128	2.2
639.26538	7.2
640.27478	1.0
665.24432	0.9
837.47955	2.5
853.47723	0.9
855.49097	13.3
856.48676	2.6
881.47137	6.5
882.46429	1.0
883.45764	1.0
899.47900	33.1
900.48248	7.4
907.44263	0.9
925.45911	17.8
926.45435	4.3
943.46912	100.0
944.47192	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	941.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	1.0
68.18867	0.8
68.99716	2.0
69.03325	2.1
69.26806	7.2
71.01256	27.3
72.99192	1.9
73.02823	9.0
75.00746	7.5
81.03341	0.8
83.01264	2.4
83.04398	1.8
83.04897	34.8
84.05249	1.2
85.02821	21.3
85.99964	2.0
87.00750	11.4
87.04393	2.2
89.02331	2.8
95.01273	2.4
99.00758	21.4
101.02335	3.1
103.03896	0.9
108.02071	2.8
113.02335	9.9
115.00266	0.8
115.03909	3.2
119.04932	1.9
121.02848	1.3
131.03391	5.3
134.03622	1.8
137.02393	1.2
139.00343	0.8
143.03398	4.4
146.03618	1.1
147.04431	2.2
149.02415	1.0
149.05978	1.9
150.03110	0.8
152.01083	2.6
153.01849	1.5
157.01398	1.1
159.04457	2.9
163.03912	2.5
172.05217	2.3
173.05963	1.4
174.03242	0.9
185.06029	2.1
186.06725	1.6
187.03986	0.9
187.07527	2.1
189.01717	0.8
190.02527	1.0
190.06389	0.8
191.03423	1.7
193.05029	2.9
197.06055	1.1
201.05545	1.3
201.09120	3.8
205.07184	1.6
209.11877	1.7
211.07536	1.2
212.04878	0.9
214.06322	1.2
215.07059	3.5
226.09895	1.0
229.08682	2.1
237.03900	1.5
243.10263	2.2
245.08218	2.3
285.15137	0.9
297.14944	1.7
315.15820	1.1
343.08197	1.2
349.46616	0.9
405.31732	2.0
425.34015	0.9
487.34293	12.7
487.40732	1.1
488.34674	1.4
555.37000	1.6
569.34930	1.8
601.37555	1.0
645.36444	3.8
879.48077	1.3
909.33197	2.5
941.47949	100.0
942.48364	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99714	0.3
75.56886	0.2
81.03352	0.3
83.04907	0.6
87.00758	14.2
91.05420	0.5
93.03350	2.4
95.01281	0.3
95.04904	0.8
97.06474	9.3
98.20654	0.4
103.05437	0.4
105.03340	1.3
107.04912	6.0
108.02089	0.5
108.05210	0.4
109.02849	0.5
111.04413	2.2
112.05190	4.4
117.03385	0.4
119.04918	1.4
121.02853	30.6
122.03671	7.5
123.04488	1.3
124.01550	0.2
127.59576	0.2
130.99768	3.6
131.04948	0.3
134.03625	0.9
135.04427	1.5
136.01567	0.6
136.04849	0.2
137.02354	2.5
139.03926	0.7
145.02873	1.4
145.06543	0.3
146.03583	0.8
147.04430	15.1
148.05243	2.5
149.02368	1.1
149.06035	1.6
150.03165	0.4
154.02608	0.4
159.04407	0.3
161.02376	1.0
162.03061	0.2
163.03917	4.1
163.05194	0.3
163.07648	0.3
164.04732	1.4
165.05518	0.9
175.07559	0.8
176.04520	0.3
177.01842	0.3
191.03438	6.4
191.10750	0.9
192.04240	2.4
193.01392	0.5
193.04990	1.3
194.02167	1.6
194.05421	0.2
195.06621	0.3
196.14204	0.2
201.09140	2.1
202.09366	0.3
217.08611	0.4
219.10204	2.3
230.20522	0.3
243.10144	0.3
245.11850	1.5
254.04289	4.0
261.11307	2.4
262.11499	0.3
273.07648	0.2
285.04153	0.7
289.10794	3.4
291.08774	7.7
292.09152	0.6
297.07339	0.3
300.02835	0.3
307.12064	0.6
313.03564	2.9
314.04074	0.6
328.05841	1.3
329.05817	0.2
333.09790	1.3
343.08234	5.9
344.08636	1.0
345.08911	0.5
349.09320	0.9
350.09732	0.6
351.10855	100.0
352.11188	9.5
368.58682	0.2
731.96161	0.3
943.28046	0.3
976.26898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.8
68.99696	2.6
69.03314	1.1
69.57856	5.9
71.01251	34.4
72.99175	4.6
73.02823	10.3
75.00749	14.1
83.01247	4.6
85.02824	19.5
85.99981	1.9
87.00751	19.8
87.04401	2.5
89.02325	7.3
93.03339	1.3
95.01270	5.2
96.25017	0.9
97.02808	1.8
99.00754	13.3
99.04400	0.9
99.76181	0.8
101.02316	14.7
101.02925	1.2
103.03883	2.2
109.02853	1.5
111.00757	1.1
113.02332	13.2
115.03905	3.7
119.03387	1.5
119.04914	1.2
121.02869	1.4
122.03591	0.9
123.04445	1.0
123.80202	0.7
126.79449	0.8
131.03398	5.8
134.03683	0.9
137.02332	1.5
143.03387	5.5
145.02892	1.8
145.05005	1.4
146.03574	1.6
147.04420	3.8
149.02338	1.1
149.06007	3.4
150.03072	1.0
157.01395	0.9
159.04408	4.3
161.02383	0.9
161.04556	1.6
163.03961	2.5
163.06024	1.4
164.04678	0.9
172.05193	2.1
173.02344	0.9
173.06015	3.7
174.03217	2.0
174.06683	0.9
175.03944	2.0
179.03383	1.0
185.06042	2.2
186.06763	2.4
187.03987	2.2
187.07614	3.1
188.04678	1.6
188.08124	0.8
189.05482	1.5
190.81416	0.8
191.03404	2.4
193.05006	2.4
196.05252	1.0
197.06018	2.4
199.07697	0.9
201.09138	6.7
202.06506	0.9
205.07072	3.9
209.11812	3.4
211.13345	1.2
214.06322	1.4
215.07089	4.5
226.09840	1.3
227.10797	1.0
229.08630	3.8
231.06967	1.0
243.10258	2.6
244.11140	1.0
245.08191	3.6
259.06342	1.2
271.13342	1.0
283.13547	1.4
295.16962	1.0
297.15067	2.7
311.09256	0.9
311.13055	1.3
311.16504	1.5
313.03629	1.2
313.14517	3.3
315.16049	1.7
321.14816	1.0
329.13901	0.9
333.10043	1.0
339.16028	2.3
343.08188	2.8
357.16837	1.7
392.76736	0.9
437.34329	1.3
455.35660	2.1
479.19589	1.7
525.39728	1.8
578.36652	1.0
593.25879	1.4
738.30963	0.9
756.32324	1.6
757.29803	1.1
803.39038	0.9
883.25977	0.9
909.36578	1.0
911.24963	1.0
923.51538	1.9
941.51587	100.0
942.52142	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11981	2.6
65.48772	2.7
69.37630	25.5
71.01250	17.8
73.02805	4.5
74.84914	2.5
74.93417	3.0
75.00748	6.4
84.63342	2.8
85.02809	10.5
87.00755	36.2
89.02345	3.9
93.03356	3.8
94.69773	2.9
98.20554	5.4
99.00755	9.8
101.02316	5.5
104.61967	2.9
108.02056	30.0
109.02843	10.1
113.02328	8.1
121.02886	4.2
121.80602	2.8
122.06015	6.7
124.01531	3.2
125.02340	3.6
134.03604	5.8
134.05989	8.9
135.04369	3.6
137.02328	4.7
137.82864	3.8
143.06192	3.1
146.03696	3.9
147.04424	11.2
148.01544	3.1
148.05179	4.4
149.02330	3.7
149.05949	7.8
152.01045	23.8
152.07080	4.5
153.01828	8.6
159.04401	5.3
161.02339	10.1
162.03065	2.8
163.00235	3.4
163.03929	5.4
165.03920	4.2
173.05981	4.4
173.84283	2.7
175.03938	5.3
175.07570	12.4
177.01836	6.8
185.06000	3.4
186.06868	4.1
189.01862	4.8
191.03394	3.5
192.04135	4.0
193.04973	6.3
198.02872	4.2
199.03934	5.7
199.07355	3.5
201.05446	4.5
201.09181	3.3
209.11740	21.3
213.01897	6.0
213.05513	4.1
227.03395	11.0
227.12738	3.4
240.04294	3.9
241.04956	4.9
242.02139	5.2
243.02837	5.1
253.01532	3.7
253.04958	4.0
255.02946	4.6
267.02972	3.3
269.04648	7.8
270.01736	7.2
271.02481	5.1
277.05118	3.7
280.07355	2.9
283.02542	4.2
284.03201	7.4
285.04181	8.5
285.12234	4.2
285.18527	4.6
291.06915	3.7
293.04715	3.4
294.62219	3.2
297.03989	3.5
299.02014	6.8
299.05551	8.0
311.16534	19.5
312.02765	5.6
313.03510	44.1
314.04031	5.9
315.07092	3.8
327.04962	8.1
327.16022	19.6
328.05811	12.7
329.17563	7.9
342.07642	16.0
343.08264	41.9
344.08368	6.9
345.16983	5.9
355.15439	10.3
371.15527	3.8
373.16510	6.6
374.04178	3.7
375.05316	3.1
384.13171	4.8
387.04892	5.4
389.06412	3.4
415.04349	6.3
416.05011	4.1
431.07483	7.0
445.09280	11.8
447.10825	4.4
463.10413	5.3
789.18182	4.4
807.19305	9.8
819.38275	4.3
849.20581	23.4
850.21490	6.0
863.36914	10.6
877.19867	30.1
878.20099	7.9
879.17865	45.5
880.17908	12.1
889.33984	7.9
903.17719	83.2
904.18573	22.4
907.30396	27.8
908.31165	5.9
921.18561	20.8
921.38165	9.1
922.19177	6.3
925.48499	3.6
939.19617	100.0
939.38367	73.5
940.19672	32.4
940.36053	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	937.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	9.5
65.21817	1.0
69.44817	7.0
69.80204	1.0
80.93694	1.0
83.01275	6.0
85.10069	1.0
95.01266	6.0
99.00746	1.5
107.01280	18.0
111.11247	0.9
121.02834	1.2
123.00761	3.2
124.01569	16.1
125.02383	1.1
149.02438	1.5
151.00285	48.8
152.01074	32.6
153.01500	1.2
163.00281	3.3
169.01329	6.1
171.04456	1.5
178.99796	51.5
180.00117	2.0
183.07263	1.0
192.00583	1.9
193.01401	5.1
199.03955	3.2
219.61310	1.0
226.02716	1.2
227.03453	20.2
228.03798	2.3
241.01302	1.2
242.02155	1.1
243.02939	3.5
245.00764	1.3
251.03670	1.1
255.02939	4.9
269.00778	1.1
271.02493	10.4
295.02460	2.0
299.01898	3.2
300.02698	7.7
301.03333	5.1
329.04807	1.3
345.04153	2.6
361.03589	1.3
373.03482	1.4
401.02954	2.1
403.04303	2.6
416.05386	1.1
417.06296	1.5
431.04092	3.1
433.05521	3.0
445.09427	1.5
447.07080	2.4
448.07950	1.6
461.08801	4.6
463.10608	1.4
472.07843	1.1
597.10364	1.1
624.09576	1.1
625.09802	1.8
643.10986	10.4
644.10529	2.6
706.52014	1.1
937.20477	100.0
938.20935	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	5.3
65.17267	0.8
66.85033	0.7
69.50303	7.0
71.01247	1.8
71.89319	0.8
80.83170	0.9
83.01263	3.0
93.03316	1.0
98.20589	0.9
99.00719	1.1
104.90369	0.8
107.01270	10.7
109.02866	1.2
121.02835	5.0
122.03603	1.0
125.02322	1.0
132.02039	2.5
134.03607	4.8
135.00766	1.4
135.04372	1.1
136.01494	1.2
143.04912	1.3
145.02838	2.1
147.00764	1.2
147.04410	3.3
148.01540	1.2
149.02321	2.4
150.03131	3.9
151.00275	35.2
152.00957	1.5
155.04971	1.9
159.04398	2.3
160.01575	8.0
161.02336	2.9
163.00229	2.3
165.05489	2.3
169.01279	1.3
171.04454	3.2
173.04022	0.9
175.03914	9.3
177.01849	1.1
178.99791	10.5
182.03714	1.2
183.04448	4.9
185.02388	1.7
185.06105	1.0
186.03143	1.8
187.03883	3.2
189.01836	1.5
193.05009	4.9
195.06584	1.7
198.03145	2.4
199.03934	11.4
200.04320	1.1
201.01878	2.0
203.03491	2.2
211.03946	2.4
212.04660	1.1
213.01758	0.8
213.05447	1.6
214.02629	3.2
215.03377	5.5
216.00751	0.9
216.04062	1.1
225.01930	1.3
225.05327	0.9
226.02663	3.2
227.03427	16.0
228.03917	2.4
229.05028	2.2
231.02975	1.1
239.03410	1.5
241.01369	13.9
242.02148	9.9
243.02954	27.3
244.03413	1.8
245.00841	7.5
245.04521	1.2
254.02246	1.9
255.02966	41.8
256.03580	5.8
257.04385	1.7
269.00769	1.7
270.01694	18.6
271.02478	89.7
272.02914	8.9
283.02426	5.5
284.03235	7.6
285.04010	16.3
286.04688	1.9
297.00577	1.6
298.01187	5.7
299.01974	88.9
300.02719	79.0
301.03412	24.0
302.03815	1.4
312.02747	2.0
313.00134	0.9
313.03522	23.9
314.04153	2.0
318.03873	1.1
327.01535	9.7
327.05167	1.9
328.05859	7.5
329.02881	1.0
329.06546	2.5
333.09854	1.4
342.03735	2.9
342.07434	2.3
343.04459	1.4
343.08179	14.6
344.08554	1.5
357.06161	17.1
358.06775	2.3
359.07492	1.5
361.16760	1.4
379.10300	2.4
593.11438	3.9
595.13080	26.7
596.13489	3.6
625.09503	2.0
637.52765	1.0
642.09943	1.9
643.10840	17.8
644.11145	2.4
937.20374	100.0
938.20660	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01755	1.0
68.99672	1.7
69.03329	2.2
69.78386	2.8
71.01254	31.0
72.99181	1.9
73.02821	7.0
75.00743	7.1
83.01266	4.3
85.02824	20.2
85.99975	1.5
87.00748	11.2
87.04382	2.0
88.72678	0.8
89.02312	2.1
95.01281	4.0
97.02834	5.7
97.06437	0.8
99.00755	19.6
101.02347	4.5
103.03930	0.9
108.79566	0.7
111.00880	0.9
112.01524	1.0
113.02328	12.0
115.03888	1.9
117.97085	0.7
119.03379	0.8
119.04909	0.7
121.02834	1.3
129.01820	0.7
131.03404	5.4
133.02876	0.7
134.03595	0.8
137.02328	1.8
143.03374	4.2
145.04839	0.8
146.03664	0.9
147.04399	3.0
148.05142	1.6
149.05978	1.0
157.01311	0.9
161.02333	1.0
163.03854	0.8
173.05992	0.8
181.49533	0.8
187.03905	1.0
189.05495	1.1
193.04973	1.5
201.05405	0.9
211.13371	1.2
216.07790	0.9
297.14899	1.3
313.03546	1.2
323.16449	1.2
341.17532	2.1
343.08197	1.3
437.30661	2.0
439.32129	2.4
441.29822	0.7
507.35101	1.2
546.46283	0.8
553.35419	1.7
597.34369	2.2
608.20410	0.7
641.33466	2.1
744.24243	0.8
892.21881	0.8
893.42181	1.1
919.42426	2.3
937.44299	100.0
938.44653	23.3
962.28589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99681	2.0
69.03341	1.1
71.01254	31.6
72.99166	2.3
73.02824	9.5
75.00747	14.4
83.01263	4.9
85.02824	24.9
85.99969	1.8
86.03184	0.5
87.00754	11.0
87.04404	2.8
87.04883	0.4
89.02316	4.0
95.01274	4.0
96.95865	0.8
97.02797	0.7
99.00760	14.0
101.02320	3.2
103.03889	1.8
110.03218	0.4
111.00720	0.7
113.02330	11.1
115.00260	0.5
115.03917	2.4
116.92715	1.0
117.03390	0.4
119.04851	0.6
121.02850	0.5
123.04387	0.6
125.02356	1.0
131.02473	0.8
131.03400	7.6
135.04381	0.8
137.02327	1.7
139.00214	0.9
139.03873	0.5
143.03413	4.8
145.02826	0.5
145.04961	1.0
146.03563	0.6
147.04419	3.6
148.05197	0.7
149.06003	0.9
157.01321	0.9
163.06032	1.0
171.10120	0.6
173.54591	0.4
175.03844	0.8
191.03369	0.8
192.04184	0.5
193.04916	0.8
205.07147	2.2
209.11700	0.7
211.13324	0.9
213.67184	0.6
271.02408	0.5
299.01941	0.8
313.03369	0.6
343.08517	0.8
481.36981	3.8
551.41064	0.8
641.40454	0.9
919.50476	1.9
937.51825	100.0
938.52161	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	937.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	10.2
69.35504	11.4
71.01234	1.6
83.01270	9.2
87.00758	6.2
95.01249	3.7
107.01279	20.2
107.90840	1.2
111.00799	1.6
112.09281	1.3
119.04916	1.3
121.02823	4.7
123.00761	2.2
124.01563	14.5
125.02310	2.9
132.40466	1.2
133.02831	1.2
134.03625	2.4
135.00821	1.4
136.01509	1.4
137.02315	2.0
139.00226	1.5
141.01845	1.5
145.02875	1.7
146.03639	1.4
147.04390	6.3
149.02382	2.9
149.05981	2.2
151.00284	62.5
152.01062	30.5
153.01765	4.4
159.04358	1.5
163.00256	4.5
163.03841	1.2
169.01320	10.0
175.03917	1.5
177.01773	2.0
178.02518	1.3
178.99794	77.2
180.00000	2.2
192.00554	2.7
192.04205	2.8
193.01385	7.3
193.05037	2.1
198.03117	2.4
199.03899	1.5
211.03941	2.0
219.02959	1.2
220.88191	1.5
227.03444	9.4
241.01323	1.7
254.02103	5.3
255.02945	10.0
271.02390	5.0
299.01993	2.8
299.46881	1.6
300.02570	3.1
320.03394	1.5
351.10959	6.8
373.03458	2.2
387.05069	2.3
389.02734	1.5
389.07001	2.0
403.04849	1.6
407.03873	3.0
409.16913	1.5
416.04947	1.8
417.06262	2.8
431.03320	6.6
432.08725	1.6
433.09457	1.6
445.09152	3.6
447.10776	4.2
451.10251	1.6
461.08936	14.0
462.09579	2.9
463.10208	3.3
473.08514	2.3
611.09552	1.6
613.07147	1.5
625.10022	2.5
642.09686	1.9
643.10944	13.6
699.24902	1.9
785.19336	2.1
805.16174	2.5
937.20319	100.0
938.20752	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	8.4
69.71677	1.9
69.72089	3.7
83.01270	5.4
85.31860	1.0
91.90513	1.1
95.01250	3.9
98.19838	1.4
99.71994	0.9
107.01275	16.3
108.02081	1.5
111.00732	1.2
117.95196	1.1
121.02824	1.5
123.00758	3.9
124.01560	15.7
128.22639	1.1
129.39809	1.2
151.00276	53.0
152.01059	42.1
163.00249	4.7
169.01364	7.6
171.04344	1.7
178.99785	63.4
180.00200	3.0
193.01355	5.2
198.03188	1.4
199.03882	1.9
226.02750	1.4
227.03453	22.6
228.03847	1.6
242.02249	1.1
243.02960	4.5
249.05562	1.2
255.02896	4.7
271.02432	10.1
295.02359	2.4
299.01910	4.4
299.05142	1.3
300.02737	13.3
301.03430	6.0
317.04514	1.2
343.08420	1.3
345.04111	2.2
358.17206	1.3
373.03473	1.7
401.03061	3.2
416.05518	2.4
417.06027	1.9
431.03333	2.2
431.08295	1.9
433.05240	2.7
446.10193	1.3
447.07214	4.0
448.07913	1.6
449.08606	1.9
451.10242	1.7
461.08786	8.1
462.09534	1.6
463.10278	2.9
472.07843	1.7
476.73825	1.1
595.12506	1.4
625.09521	2.2
643.10779	10.8
644.10315	1.2
805.15558	1.5
919.20294	2.2
937.20453	100.0
938.20734	25.3
938.38531	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	929.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73476	0.9
71.01274	0.2
77.39655	0.2
77.54782	0.2
83.32961	0.2
83.97653	0.2
87.00775	0.2
88.12433	0.2
98.19888	0.4
134.03638	1.7
147.04404	0.3
149.06009	0.2
151.00214	0.3
159.04381	0.5
160.01503	0.2
171.04347	0.4
174.40921	0.2
175.03893	0.4
183.04405	0.9
187.03885	0.7
193.04985	2.4
199.03938	1.1
201.01900	0.4
203.03505	0.3
211.03889	1.1
213.01913	0.3
215.03371	0.9
226.02620	0.2
227.03459	4.0
229.01364	0.8
231.02975	0.4
237.01631	0.2
242.02145	0.4
243.02922	2.3
253.01431	0.5
255.02980	2.4
257.00845	0.4
260.38297	0.2
270.01721	0.6
271.02475	23.7
272.02823	1.8
281.00793	0.9
283.02383	2.1
299.01965	49.8
300.02356	3.9
301.59204	0.2
314.04315	20.7
315.04657	1.5
329.06659	100.0
330.07001	8.2
330.10150	0.1
371.11722	0.2
397.09262	0.2
459.44980	0.2
599.19745	0.5
607.16772	0.3
671.66687	0.2
911.24237	0.2
929.20978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99685	0.3
71.01231	1.0
75.73449	0.3
79.05417	0.3
82.90498	0.3
83.01279	0.3
83.04886	0.4
85.02805	0.4
87.00749	35.8
88.01096	0.5
91.05405	0.7
93.03340	1.4
95.04876	0.5
97.06474	1.8
101.05942	0.3
103.05405	0.7
105.03354	1.6
107.04902	5.6
108.02044	0.6
109.02869	0.3
111.04390	1.0
112.05197	1.5
114.93269	0.4
117.03324	0.4
119.04901	2.2
121.01962	0.6
121.02837	12.2
121.64658	0.3
122.03648	5.8
123.04443	0.5
124.01527	0.8
129.03313	0.5
130.99759	14.4
132.00578	0.3
133.02872	0.4
134.03635	4.1
135.04462	1.6
136.01559	0.5
137.01378	0.5
137.02333	4.9
139.03893	1.2
140.35368	0.3
146.03601	0.7
147.04419	18.0
148.01559	0.4
148.05240	4.2
149.02348	1.2
149.06035	1.6
152.73047	0.3
154.02684	1.4
161.02354	1.1
162.03111	0.3
163.03911	4.2
164.04680	2.4
165.05472	0.6
166.02615	1.0
173.05966	0.4
175.03940	0.4
175.07581	0.4
176.04683	0.6
176.84586	0.3
189.01981	0.3
190.02599	0.3
190.06297	0.4
190.09824	0.3
191.03421	4.6
191.10695	6.6
192.04158	3.8
193.04968	1.9
194.02116	1.3
201.09146	1.1
201.11072	0.3
209.11804	0.4
219.10172	2.2
220.10553	0.3
222.08893	0.5
229.08548	0.4
234.62732	0.3
254.04289	20.8
255.04720	1.4
261.11377	0.5
289.10831	1.0
291.08768	2.6
296.06494	0.4
297.46152	0.3
299.12778	0.3
300.02676	0.5
307.11884	0.4
313.03464	0.3
315.16089	1.0
333.09912	0.8
341.17392	0.4
343.08151	0.7
347.94785	0.3
351.10825	100.0
352.11172	8.4
423.07166	0.4
478.63611	0.4
584.82336	0.3
613.97876	0.3
747.19550	0.3
841.16907	0.3
911.38904	0.6
928.50232	1.4
929.39203	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	931.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69855	1.0
70.70201	1.4
71.01254	8.5
71.10300	0.9
72.99188	1.8
73.02808	0.9
75.00749	7.1
83.21649	0.9
85.02824	10.6
87.00754	3.2
89.02328	2.5
93.03370	1.1
95.01249	2.7
99.00768	3.7
113.02330	11.7
117.01831	0.9
117.03338	2.2
126.64015	0.8
133.02913	1.0
134.03635	26.8
134.04655	1.5
134.91371	0.8
135.04510	1.2
142.00229	0.8
144.20145	0.7
149.06003	2.0
152.00999	0.9
154.01315	0.8
160.01569	2.3
161.02242	1.5
173.04393	1.3
175.02493	1.2
175.03917	3.5
183.38310	0.9
191.05551	2.8
193.04999	16.5
194.05412	0.9
203.68564	0.9
217.59808	1.0
249.06142	10.5
267.07150	27.7
268.07373	1.5
310.41739	0.8
351.10849	1.4
425.10818	1.0
443.11926	100.0
444.12198	8.9
579.13751	1.0
770.62714	0.9
911.15857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87624	1.1
65.58714	1.0
69.95621	4.5
71.01252	4.8
72.99194	1.2
73.02819	1.5
83.01244	2.0
85.02810	2.2
87.00756	5.5
89.00204	2.0
93.03320	1.7
95.01289	1.7
99.00768	3.5
101.02316	3.2
106.00412	1.2
108.02058	2.0
109.02839	6.7
111.00861	1.3
113.02303	2.8
114.04065	1.2
119.04956	1.7
121.02852	12.1
123.00786	7.2
123.04465	2.8
124.01556	2.9
125.02380	5.8
131.04912	4.5
133.02821	1.6
134.03619	8.4
135.04387	1.9
137.02336	15.2
138.03140	12.1
139.03893	3.2
143.04955	1.6
145.02841	4.0
145.06499	1.7
146.03601	4.3
147.04436	16.0
148.05035	1.7
149.02284	3.3
149.05954	1.7
151.00304	1.5
151.03868	2.9
152.04665	3.4
153.05450	7.8
158.03583	1.9
159.04427	100.0
160.01561	1.7
160.05200	19.0
161.02359	4.9
161.04616	2.2
161.05983	25.4
162.06282	1.3
163.03935	3.5
165.05479	1.4
172.05267	1.8
173.02386	5.7
173.06006	43.3
174.03069	1.4
174.06386	2.7
175.03934	6.4
177.05507	1.5
186.03207	1.5
187.03915	9.5
188.04570	1.1
189.01875	2.1
190.02647	1.5
191.03409	3.4
191.05353	1.5
192.04141	1.4
193.04999	5.9
197.05927	1.8
199.04015	5.5
203.03455	9.9
204.04066	2.2
209.06064	1.5
213.09134	3.0
217.01338	4.7
219.02901	1.5
221.05995	1.9
222.06752	1.5
223.07716	5.6
225.05536	2.4
225.09148	2.0
227.03459	1.7
228.04141	3.0
229.01352	4.4
231.02763	1.4
235.07738	1.4
237.05533	2.0
239.03412	1.9
239.07109	3.8
241.08670	4.1
249.05530	8.8
249.07594	2.3
250.06339	1.9
251.07140	28.8
252.04509	1.4
252.07492	2.8
253.04980	4.0
253.08670	1.9
254.05724	1.9
255.02887	2.0
256.03784	4.9
261.05362	1.5
264.04276	2.3
265.05081	3.4
266.05847	2.4
267.02875	1.9
267.06644	7.3
269.04605	3.4
269.08118	8.6
269.10602	1.7
271.06213	6.4
277.05087	22.8
278.05780	5.5
279.06622	20.3
279.81100	1.3
280.04178	1.2
280.07312	3.5
281.04437	4.0
281.07840	1.9
282.05334	10.8
282.08160	1.6
283.06012	2.1
284.06656	1.7
286.08371	2.1
289.11093	1.8
292.03506	1.4
293.04553	8.0
294.05316	8.1
295.06113	13.4
296.06790	4.5
297.04190	2.6
297.07660	49.7
298.08112	5.5
299.09296	5.4
300.02682	3.3
305.04556	13.3
306.05200	2.6
307.06024	2.7
308.03140	1.9
308.06818	1.7
309.04346	1.3
309.07706	4.0
310.05252	1.6
310.08484	7.5
311.09210	7.0
312.10007	38.3
313.10272	4.7
319.06061	1.7
320.06982	1.5
321.03995	6.5
321.07422	2.2
322.04761	12.3
322.08310	2.7
323.05618	29.6
323.09317	2.7
324.06107	2.0
325.07077	3.3
325.10770	9.9
327.12369	71.7
328.12772	5.4
333.09814	5.0
336.06534	3.4
337.07080	17.7
338.04916	1.0
338.07907	27.9
339.08426	4.3
343.08243	7.4
349.03302	1.6
351.08392	10.9
352.09024	2.0
353.10303	67.3
354.10648	4.2
371.11316	38.3
372.11682	2.8
379.08188	6.7
397.09247	40.3
398.09509	4.1
415.10385	9.7
423.07239	30.7
424.07367	2.6
429.69522	1.4
441.08261	3.5
443.16064	1.9
448.07669	1.8
449.21597	1.5
493.07159	1.2
595.13055	2.0
640.56482	1.2
674.27881	1.4
755.25732	2.3
769.24023	3.2
797.26941	8.0
798.28235	1.8
799.24792	3.0
825.22021	2.1
841.25671	18.6
842.25421	3.0
843.23547	16.1
844.23584	3.4
867.23553	38.1
868.23462	7.3
885.24414	49.9
886.24713	11.7
911.24805	1.5
929.23248	6.4
930.24017	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	926.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	49.6
71.53238	54.2
78.95777	100.0
87.00751	46.6
147.04402	46.2
152.99472	48.9
201.29276	38.7
209.11777	64.7
227.12769	47.7
241.23151	41.5
243.84312	37.8
256.23645	51.8
317.96402	44.7
363.06680	42.4
473.13712	44.7
597.13550	45.4
927.42426	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76282	0.6
67.01763	0.6
68.99698	2.2
69.03333	1.6
69.52332	3.5
71.01253	26.1
71.04877	0.9
72.99184	2.8
73.02822	8.4
75.00751	15.0
81.03352	0.7
83.01260	2.0
83.04890	4.9
84.05251	0.5
85.02827	24.5
85.99986	1.5
87.00753	20.4
87.04381	3.5
89.02324	3.8
91.05388	0.8
93.03339	1.3
95.01261	3.3
95.04916	0.9
97.02824	0.8
99.00762	14.8
99.04401	1.9
101.02347	5.6
105.03349	1.3
108.02058	1.7
109.02838	1.9
111.00767	1.1
112.01574	0.9
113.02332	13.2
115.03910	2.4
119.04937	2.2
121.02842	2.9
122.03607	1.2
123.04399	2.3
125.02365	0.7
130.99759	1.7
131.03378	6.6
132.02057	1.2
133.02867	1.0
133.30414	0.5
134.03633	1.3
135.04431	2.2
137.02361	3.2
139.00298	0.8
139.03964	0.8
140.58786	0.5
143.03380	4.8
145.02837	1.2
145.04996	1.1
146.03656	2.4
147.04422	14.3
148.05087	3.3
149.02406	0.9
149.05954	2.3
151.07518	0.6
157.01346	1.2
159.04439	9.6
160.05119	2.6
161.02345	2.1
161.05940	2.1
162.06363	0.9
163.03902	1.7
163.06076	0.7
164.04524	0.6
165.05544	0.6
171.04498	0.7
171.08040	0.6
171.10181	1.2
172.05202	2.4
173.02364	1.4
173.05984	7.7
174.03117	1.5
174.06506	2.5
175.03903	2.4
177.01863	1.3
185.06050	1.7
186.06737	1.7
187.03934	2.8
187.07481	2.1
188.04494	1.2
188.08067	1.1
189.01868	1.3
189.05495	2.1
190.06117	0.6
191.03403	1.9
192.04195	1.8
193.04932	1.3
195.04439	0.9
197.05869	1.3
198.06741	1.0
199.03941	2.3
199.07631	0.6
200.04796	0.9
200.08299	0.7
201.05507	3.8
201.09035	1.3
202.05907	1.3
203.03374	0.7
205.07101	2.3
205.44806	0.7
207.02846	0.8
209.11818	4.8
210.12097	2.1
211.13405	2.9
213.05489	1.3
213.09172	0.6
214.06148	1.1
215.07030	1.4
215.10577	0.8
216.07802	2.8
217.01422	2.0
217.05000	1.0
217.08167	0.9
218.02168	1.7
223.03926	1.4
225.11392	0.6
241.04906	1.1
243.02811	0.7
243.10257	1.3
251.03429	1.1
251.07170	0.7
252.04248	10.5
252.07007	0.8
252.07935	0.6
252.14478	0.7
253.04887	0.9
255.13963	0.7
261.05502	1.5
263.07025	1.4
264.04214	0.7
265.05005	1.5
266.05862	1.2
267.06619	11.9
268.06906	1.1
271.09964	0.8
277.04996	1.2
277.52707	0.6
278.05862	1.5
279.06729	4.5
280.07364	2.4
281.08142	1.4
282.08939	2.3
283.13474	0.8
285.14923	1.1
289.05072	1.1
290.05771	1.5
291.06641	0.9
292.07224	0.7
293.04575	0.7
295.09723	2.4
297.11353	3.7
297.14981	6.8
298.15192	4.0
299.15631	2.4
301.14157	1.2
306.05365	1.6
307.06110	12.1
308.06818	9.7
309.07352	0.7
311.12881	1.5
312.13461	1.0
313.14383	0.8
313.17871	1.0
314.18506	0.7
315.15918	1.1
316.16028	0.8
321.07733	4.3
323.09253	22.2
323.16174	3.1
324.09592	3.3
324.16864	2.5
325.17480	0.7
339.16080	1.0
341.10406	3.1
341.17471	5.4
342.17856	5.4
343.08514	1.2
343.18488	2.8
349.07300	0.8
352.05823	0.8
359.18716	0.9
367.08182	6.8
368.08398	0.9
385.09103	0.7
385.16669	1.1
393.06094	6.4
394.06506	1.4
409.31049	0.9
439.32138	0.9
441.33884	1.6
447.16467	2.7
465.17816	1.2
471.34616	1.4
473.36218	1.0
479.19055	0.8
555.36987	2.9
571.14661	1.8
584.24542	0.9
587.39667	3.2
588.39874	0.7
597.12500	0.9
789.39447	0.9
807.40631	1.3
833.39148	0.8
837.34912	1.0
850.38690	1.0
851.39746	5.1
877.37823	2.6
883.20740	2.6
895.39777	3.0
909.37054	5.2
910.38232	1.2
927.50928	100.0
928.51025	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.3
69.82883	1.0
70.27312	1.0
71.01251	18.4
71.53725	1.4
72.99188	3.9
73.02821	5.3
75.00748	27.0
78.25427	1.1
79.65598	1.2
83.01265	2.5
85.02820	20.0
87.00743	13.1
88.98704	7.5
89.02322	5.5
90.90154	1.2
95.01265	3.5
95.04925	1.3
96.95877	1.4
97.02831	1.3
99.00745	10.4
101.02317	5.6
113.02354	12.1
119.04922	2.1
121.02860	3.5
122.93288	1.1
125.02335	1.7
130.99789	1.5
131.03334	1.2
137.02335	3.7
139.03960	1.3
143.03467	1.5
144.23409	1.2
146.03696	1.2
147.04405	13.1
148.05124	3.6
149.05984	1.5
152.31117	1.2
175.03914	1.3
191.03484	2.7
192.04192	3.3
193.04991	2.1
209.11766	1.4
211.13374	3.5
218.02068	2.3
223.13353	1.3
236.03331	1.5
253.09135	1.4
254.79951	1.3
334.07315	1.2
343.08270	1.2
353.10373	1.3
409.20764	1.2
410.08759	1.3
455.35330	7.9
456.35278	1.5
569.38196	2.2
631.38367	7.3
632.38922	1.6
759.75330	1.3
763.43005	1.8
847.56122	1.5
907.39532	6.3
908.40820	1.3
925.48517	100.0
926.48877	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	4.8
69.03342	1.5
71.01256	24.6
72.99191	2.5
73.02798	6.0
74.03180	1.4
75.00739	9.9
79.05399	3.2
83.01255	1.8
83.04877	1.5
85.02827	15.4
86.79619	1.1
87.00750	22.3
87.04385	1.6
89.02310	4.1
91.05401	14.2
93.03333	5.6
95.01254	3.7
95.04901	11.6
99.00759	13.2
101.02317	5.3
103.05421	7.0
105.03354	17.9
108.02034	6.5
111.00756	1.3
113.02327	11.1
114.01643	1.4
117.03310	1.5
119.04919	18.3
120.05191	1.2
121.02843	19.2
122.03642	2.8
123.08055	1.5
124.01533	2.2
129.03343	5.6
130.70096	1.3
130.99719	1.2
131.03397	3.7
133.02847	2.0
134.03635	1.8
135.04454	2.6
137.02333	12.6
139.03925	1.8
143.03413	2.5
145.02870	12.0
146.03673	9.4
147.04422	100.0
148.05214	15.1
149.06004	9.4
157.01248	1.5
159.04413	6.0
160.01558	2.1
160.05179	2.9
161.02376	2.4
161.04475	1.6
161.05969	4.7
162.06731	2.4
163.03909	4.9
171.10161	1.2
172.05287	3.1
173.02332	1.9
173.05984	4.8
174.03093	4.0
174.06764	1.4
175.03857	4.0
175.07603	6.9
175.08968	1.2
183.13818	4.6
185.05968	2.7
186.06641	2.4
187.03894	4.6
187.07509	3.1
188.04680	2.1
188.08272	2.1
189.01802	2.1
189.05435	2.2
190.02618	1.5
191.03432	12.8
192.04163	5.2
193.04924	4.9
199.07634	2.7
200.04581	1.7
200.08311	1.4
201.05519	3.5
201.09041	2.5
205.07118	1.8
207.02858	1.7
209.11780	25.3
211.07599	2.5
211.13324	26.1
212.13756	1.6
213.05411	1.7
214.06322	2.8
215.06952	3.1
216.07899	3.1
217.01352	9.4
218.02135	20.3
219.02637	2.5
227.12866	1.7
235.08223	1.5
243.10190	1.6
252.04210	4.0
253.04948	1.8
253.09270	2.3
257.15475	4.9
267.06647	5.6
283.13559	1.6
285.14954	3.7
289.39728	1.4
297.14883	8.1
311.12839	1.9
311.16568	1.5
313.14716	2.2
313.17993	9.4
315.16019	2.3
323.16562	3.9
329.13907	2.4
329.17719	1.5
331.19125	1.9
337.06985	3.3
339.08759	2.4
339.15900	5.7
341.17514	7.1
343.08282	2.4
350.04297	1.8
357.16986	2.5
359.18491	2.2
365.06744	1.5
409.05710	2.9
469.33490	1.7
471.34641	5.7
539.37390	1.5
569.12799	3.0
585.38000	9.5
629.36829	5.7
670.28271	4.1
781.45227	1.3
799.27374	1.4
805.40997	2.9
831.37122	1.6
837.20172	2.7
849.39270	6.6
875.36823	2.3
889.40527	1.6
893.38654	3.6
907.38306	8.4
908.39203	3.5
925.46375	82.8
926.43628	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	925.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	0.4
68.99685	1.7
69.03336	1.4
71.01253	31.5
71.41240	0.4
72.01587	0.6
72.99184	2.8
73.02819	9.9
75.00747	13.2
79.65775	0.3
81.03324	0.5
83.00797	0.4
83.01255	4.5
83.04853	0.3
84.02016	0.4
85.02823	19.0
85.99963	1.7
86.03154	0.3
87.00227	0.6
87.00750	10.1
87.04397	3.3
87.46115	0.2
89.02319	6.2
95.01263	5.0
96.71313	0.2
97.02829	1.0
99.00761	12.3
99.04388	0.5
100.01116	0.3
101.02322	12.0
103.03909	1.7
109.02788	0.2
111.00761	0.7
112.01525	0.5
113.02333	12.6
114.02689	0.4
115.00281	0.6
115.03895	3.6
119.03379	1.6
125.02299	0.8
127.03880	0.2
131.03403	5.1
137.77431	0.2
139.00238	0.9
143.02354	0.5
143.03400	6.1
144.03627	0.3
145.04962	1.1
146.03354	0.2
147.04411	0.5
157.01315	0.9
159.02890	0.4
161.04449	1.1
163.06065	1.4
205.07144	3.3
230.00745	0.3
247.08145	0.4
297.94568	0.3
401.13730	0.3
439.35861	4.2
440.35965	0.9
509.39981	2.3
553.38861	0.5
554.46979	0.3
599.39417	0.4
717.45050	0.4
752.10944	0.3
863.52045	0.3
866.64777	0.2
907.50513	2.1
908.51288	0.5
925.51672	100.0
926.52057	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	925.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	2.5
69.03339	1.5
71.01257	27.5
71.52811	1.0
71.53270	1.2
72.99172	2.6
73.02811	5.9
75.00745	12.2
76.04298	1.1
82.02337	1.2
83.01263	2.6
84.91926	1.2
85.02827	16.5
85.99965	2.4
87.00745	22.9
87.04402	2.9
88.98692	2.1
89.02325	3.8
91.05380	1.8
91.34879	0.9
95.01278	3.2
95.04909	1.5
96.95886	1.2
99.00760	18.9
99.04353	1.2
101.02338	4.1
108.06162	1.1
112.01565	1.1
113.02310	9.5
115.00294	1.1
115.03936	2.0
119.04883	2.2
121.02858	4.5
123.04477	1.6
130.99715	1.3
131.03395	4.4
135.04456	1.0
137.02357	3.6
139.00278	2.1
139.03951	1.3
143.03418	4.0
145.02896	2.1
146.03664	2.5
147.04428	14.0
148.05194	3.6
149.05991	2.1
159.04521	1.3
163.03922	2.3
165.05446	1.5
185.11821	1.2
189.41240	1.1
191.03502	1.1
192.04163	2.1
193.05013	2.6
205.07135	2.8
209.11786	3.2
211.13303	7.4
217.01500	1.6
218.02150	2.9
223.13454	1.9
254.04295	1.1
254.63110	1.0
313.03418	1.3
325.25366	1.8
343.08276	2.1
443.35458	2.7
453.12540	1.5
469.33417	1.3
471.34985	2.8
539.37427	2.1
557.38873	4.0
585.38055	5.7
601.36835	1.4
629.37225	3.3
907.38910	4.9
908.39923	1.9
925.48480	100.0
926.49030	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	1.4
71.01250	17.4
73.02782	4.0
75.00712	4.5
76.05535	1.1
80.02530	1.3
83.01235	2.6
83.04876	3.7
85.02821	10.7
87.00758	17.5
89.02283	5.5
90.48794	1.2
91.05373	4.0
93.03310	2.6
95.01231	1.7
95.04857	4.3
99.00724	5.2
101.02327	6.9
103.05385	3.0
105.03339	6.1
108.02023	2.5
109.02800	2.3
113.02267	5.3
117.03328	2.2
119.04929	8.1
121.02785	5.6
122.03582	3.3
129.03305	2.8
130.99745	2.2
134.03560	3.5
135.04361	4.5
135.07974	1.3
136.04964	1.2
137.02365	7.1
139.03871	1.3
143.03299	1.6
145.02771	4.1
146.02739	1.1
146.03630	10.9
147.04422	43.3
148.05205	14.2
149.02260	1.4
149.06042	8.8
150.03091	2.0
159.04425	9.3
160.01512	2.2
160.05077	4.4
161.02290	3.4
161.06026	9.8
162.06764	20.4
163.03836	5.1
163.07274	1.4
163.11139	3.2
164.04677	2.8
165.05399	1.5
165.12631	1.9
172.05109	5.1
173.02339	1.3
173.05956	7.3
174.03156	9.3
174.06659	2.6
175.03795	5.3
175.07558	13.3
176.04626	3.4
179.03439	1.7
183.13855	6.3
185.05995	5.8
185.11537	1.3
186.06638	3.7
187.03821	4.2
187.07489	5.6
188.04749	5.9
188.08243	5.3
189.01840	3.0
189.05458	6.7
189.08965	1.5
190.06171	2.3
191.03403	8.5
191.05037	1.9
192.04047	4.6
193.04854	5.4
193.12157	1.3
194.05453	1.3
196.05164	1.4
197.11569	1.3
199.07504	2.2
200.04662	1.9
201.05412	3.7
201.09038	3.6
201.10843	1.1
203.07031	1.9
209.11783	33.2
210.12044	1.4
211.07437	2.2
211.13358	14.1
212.08185	1.3
213.05440	2.2
214.06134	2.5
215.06944	3.9
216.07632	2.2
217.01219	3.9
218.02180	7.1
225.08995	1.6
227.12730	5.5
237.03746	2.5
243.10187	1.3
253.05023	2.2
253.09161	2.3
257.12875	1.9
257.15451	31.7
258.15686	1.7
259.13342	1.2
266.48932	1.4
271.13412	2.2
283.13239	2.4
285.14767	5.8
285.18420	4.0
287.16351	2.0
287.19742	1.5
295.16806	3.0
297.14993	8.7
301.14343	2.1
311.12808	2.5
311.16245	2.6
313.03375	2.1
313.18088	57.0
314.18295	6.2
315.15799	4.6
321.14798	2.2
323.16498	10.0
324.16541	1.4
329.13678	4.9
329.17279	2.3
331.19205	14.8
332.19275	1.5
339.15958	10.0
341.17615	17.1
343.07898	4.9
348.15421	1.8
357.17023	13.0
358.17599	1.5
359.18579	7.9
385.16281	5.7
434.19064	3.0
540.25287	2.2
556.19836	3.5
556.70123	2.3
595.26843	3.9
642.56708	1.3
670.28436	5.8
714.54712	1.3
775.35699	2.1
787.38062	1.9
805.40399	8.4
806.39532	1.5
831.36401	2.0
849.38702	14.0
850.38611	2.4
875.37262	8.9
876.36475	2.5
881.41003	1.6
893.37732	8.8
894.38013	2.4
907.38885	14.6
908.38898	2.3
925.40143	100.0
926.40814	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01257	15.9
72.99185	1.2
73.02811	2.5
79.73908	0.6
80.96363	1.0
81.03324	1.7
83.01256	1.8
83.04895	3.8
84.02051	1.0
84.17558	0.6
85.02831	3.5
87.00758	4.3
89.02316	11.5
95.01278	1.7
95.04901	1.0
97.02823	4.0
98.19791	2.3
99.00780	0.7
101.02326	12.0
113.02329	7.2
116.92747	1.4
119.03381	3.4
125.02352	5.8
130.40483	0.8
143.03413	2.1
151.78853	0.7
157.16161	0.6
161.04472	2.9
163.11168	3.8
165.12747	2.1
169.56180	0.7
179.05568	3.2
181.12347	1.2
191.10777	1.0
199.06064	0.9
207.10147	1.2
209.11775	100.0
210.12135	6.1
217.07179	0.9
221.06584	1.4
225.11531	0.8
227.12852	11.4
229.69839	0.8
235.08148	5.1
253.09154	0.9
255.23273	58.5
256.23639	6.2
261.30746	0.7
262.74216	0.6
269.75696	0.6
287.07687	2.2
305.08926	1.6
341.17325	0.7
379.12445	13.9
380.12851	1.1
397.13501	43.3
398.14044	3.1
415.14639	8.9
475.29370	0.8
589.02502	0.7
589.24829	3.9
607.25977	2.4
635.37018	2.2
653.37518	6.4
654.38110	1.2
768.45966	0.7
863.49072	2.0
923.50610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03297	1.1
70.73502	1.0
70.73817	0.9
71.01257	7.2
72.99182	0.7
73.02794	1.2
75.00741	1.8
80.02531	1.2
81.03329	1.5
83.04895	2.7
84.02031	1.1
85.02839	4.1
87.00757	6.8
89.02299	2.7
91.14184	0.8
93.03362	1.1
95.01281	1.0
95.04878	1.6
99.00748	2.1
101.02349	5.1
105.03290	1.0
108.02055	1.0
109.02833	1.8
111.00790	0.9
113.02305	4.1
119.04916	2.7
121.02851	1.9
122.03617	1.0
123.04380	1.4
124.01599	0.8
124.35589	0.9
129.01741	1.0
129.03320	1.1
133.02844	1.7
134.03622	0.8
134.06189	0.8
135.04391	2.4
135.08014	0.7
137.02341	7.6
139.03917	3.4
140.03485	0.7
145.02847	1.5
146.03587	4.4
147.04425	33.2
148.04295	0.7
148.05231	10.3
149.05933	2.9
159.04425	12.4
160.05237	4.8
161.02339	0.9
161.05978	7.0
162.02994	1.1
163.03882	3.1
163.11122	2.5
165.12703	1.4
171.10141	1.2
172.05200	9.5
173.06004	27.1
174.03174	4.7
174.06786	6.5
175.03851	3.1
175.07466	2.5
176.04721	1.6
183.04372	1.5
184.05264	0.8
185.05983	5.1
186.06781	6.5
187.03934	8.5
187.07520	6.2
188.04631	2.8
188.08237	1.5
189.05479	9.3
189.09047	1.4
191.03459	1.8
192.04176	2.9
193.05038	1.7
196.05188	2.5
197.06035	7.4
198.06786	6.1
199.07492	2.7
200.04703	3.6
200.08321	5.4
201.05510	14.2
201.09006	1.3
202.05878	1.2
204.04134	0.9
209.11780	23.1
210.12064	1.3
211.07484	3.4
211.13313	4.7
212.04727	1.0
212.08266	2.1
213.05501	2.5
213.09030	0.9
214.06194	1.7
215.07082	7.3
216.07861	16.3
217.01414	1.1
217.08125	1.4
218.05789	1.5
225.09190	0.8
227.06961	1.3
229.05070	1.1
236.03056	1.4
241.05212	0.9
241.12289	1.5
242.05731	3.2
253.15970	1.0
255.13916	1.6
257.15442	0.9
260.06812	2.2
268.10794	1.1
269.15387	2.2
271.13376	1.9
271.16888	1.3
283.13406	6.3
284.13821	1.5
285.14990	6.6
289.14600	1.0
295.13776	0.9
295.17020	2.0
297.14972	46.1
297.18280	2.4
298.15265	5.0
299.12997	1.4
299.16333	0.8
300.13651	3.7
301.11108	0.9
301.14230	2.9
305.15219	1.1
311.12796	8.7
311.16406	1.9
312.13510	2.2
313.14429	1.9
313.17944	3.6
315.16019	12.7
316.16370	1.7
319.06296	0.8
321.14871	2.5
323.16516	29.7
324.16812	3.1
325.14377	2.2
329.13828	3.2
329.17368	1.3
339.15900	3.7
340.16122	1.2
341.17578	50.0
342.17822	5.0
343.08093	1.1
357.17050	1.1
359.18652	7.4
360.18860	1.0
367.15329	3.1
385.16501	4.8
403.17389	1.1
551.25183	0.9
577.26465	1.5
595.27625	3.6
621.25348	1.9
639.26373	4.5
665.23828	0.8
775.36066	1.0
787.39178	1.5
805.40295	6.1
806.40149	1.9
831.38068	3.0
849.39111	20.6
850.39282	4.6
875.37164	11.2
876.37427	2.3
881.40326	1.6
893.38269	11.8
894.38251	4.0
907.39374	4.8
908.38696	0.9
925.40472	100.0
926.40900	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	0.3
68.99682	1.6
69.03308	1.1
69.68712	1.8
69.85316	0.3
71.01254	22.7
72.99190	1.7
73.02821	6.3
75.00744	8.6
81.03345	0.4
83.01257	2.3
83.04893	1.1
85.02823	14.8
85.99967	1.3
86.03184	0.5
87.00752	7.2
87.04394	2.3
89.02324	2.3
95.01262	2.7
97.02828	0.5
98.19858	0.5
99.00757	18.8
99.04378	0.4
100.01094	0.4
101.02329	2.2
103.03873	1.0
110.92421	0.3
111.00758	0.6
112.01531	0.8
113.02331	7.1
114.02673	0.6
115.00262	0.7
115.03888	2.6
121.02962	0.4
121.06440	0.3
123.08031	1.2
129.01839	0.4
131.03401	4.1
135.04495	0.3
137.02330	0.4
137.73734	0.3
139.00333	0.4
143.03413	3.1
145.04936	0.9
147.04405	0.9
157.01321	1.2
163.05998	0.4
166.11383	0.3
175.04013	0.3
193.04951	0.4
205.07108	1.1
211.13315	0.4
357.82382	0.3
369.28186	0.4
409.30966	0.3
423.32916	0.6
425.34195	0.7
451.32074	0.3
467.31775	1.3
469.33310	3.9
470.33566	0.6
511.34189	1.0
537.35822	2.9
538.36053	0.5
551.33508	1.4
565.35382	0.6
583.36401	5.4
584.36804	0.9
601.37305	0.8
627.35297	6.0
628.35907	1.3
666.42017	0.4
697.39355	0.6
715.41107	1.5
716.40686	0.5
861.46173	1.5
862.46063	0.5
905.45642	1.5
906.44995	0.5
923.46442	100.0
924.46814	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	923.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52251	0.5
67.01752	0.8
68.99699	2.5
69.03338	1.0
71.01257	32.6
72.99187	2.3
73.02823	10.3
75.00748	16.7
83.01246	4.4
83.04900	10.5
85.02826	26.7
85.99973	2.3
87.00753	10.5
87.04393	2.5
89.02322	4.2
95.01276	3.8
95.04818	0.5
96.31310	0.5
96.95955	0.6
98.19663	1.0
99.00760	17.3
101.02309	4.5
103.03886	1.5
111.00774	1.2
113.02335	14.1
115.00277	0.6
115.03883	3.1
116.92724	2.3
119.03369	0.5
121.02876	0.7
123.04448	0.7
125.02334	0.9
131.03406	8.6
134.03609	1.0
135.04471	0.6
137.02414	1.4
139.00328	0.6
143.03412	5.6
145.04953	0.6
146.03647	1.7
147.04427	2.1
149.05991	0.9
157.01352	1.2
159.04489	0.9
161.02283	0.7
161.05972	0.8
162.03142	0.9
163.03903	0.7
163.06096	0.9
171.21231	0.5
175.07458	0.7
187.03937	0.6
189.01820	0.8
191.03502	0.8
193.04997	0.9
205.07109	2.9
209.11823	1.7
210.50691	0.6
211.13365	1.3
239.33464	0.5
263.78448	0.6
299.02130	0.6
313.14316	1.1
339.15811	0.6
343.08133	1.3
397.99829	0.6
405.31570	1.9
423.32700	3.0
493.36871	1.4
537.36591	0.6
591.70447	0.6
803.38654	1.1
879.47473	6.5
880.48218	1.5
905.43604	1.0
923.46570	100.0
924.46936	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	923.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	1.5
69.03342	1.7
69.22560	7.2
71.01254	33.6
72.99193	2.3
73.02808	8.5
75.00740	16.2
83.01272	4.2
85.02823	27.1
85.99969	1.7
87.00741	9.9
87.04404	3.4
88.98701	1.3
89.02322	3.7
95.01270	3.2
99.00756	13.0
101.02328	4.0
103.03899	1.5
111.00791	1.3
113.02337	12.4
115.03902	2.2
117.07703	0.9
121.46259	1.1
129.30397	1.0
129.82796	0.9
131.03380	8.9
139.00279	1.4
143.03415	5.2
151.72430	0.9
157.01353	0.9
162.22643	0.9
171.01062	1.3
205.07021	1.3
209.11717	1.6
225.11014	1.0
241.59749	1.0
271.02057	1.0
397.13342	1.6
444.65796	0.8
467.35223	3.5
537.39551	1.2
905.49103	1.9
923.50153	100.0
924.50439	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5014
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
67.01759	0.8
68.99681	2.4
69.03333	1.6
71.01254	32.5
72.99184	3.6
73.02815	8.6
75.00748	14.1
83.01250	4.0
85.02826	20.2
85.99978	2.3
87.00754	11.3
87.04379	2.7
89.02326	6.2
95.01268	5.5
97.02818	1.1
98.19792	1.2
99.00758	15.4
101.01702	1.0
101.02322	11.5
103.03897	2.4
111.00763	0.6
112.01562	0.8
113.02337	11.8
115.00207	0.7
115.03921	3.5
119.03384	2.2
123.00725	0.8
125.02308	1.0
131.03375	5.9
141.05545	0.5
143.03406	6.2
145.04999	0.9
157.01294	0.7
159.02896	0.6
163.05984	1.8
173.05846	0.4
188.18597	0.6
205.07080	3.5
266.69894	0.6
346.45132	0.4
359.80234	0.5
376.95462	0.5
421.30795	0.6
437.34204	5.5
438.34631	1.1
507.38342	2.2
597.38202	0.6
905.48645	3.8
923.50110	100.0
924.50366	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	923.522
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30104	3.6
71.01253	30.8
71.45181	6.0
78.95780	9.5
80.96375	8.0
83.04871	8.1
85.02818	7.3
87.00752	7.6
88.54528	4.1
89.02315	17.3
96.95868	6.1
101.02318	15.6
113.02333	4.7
116.92708	4.6
119.03371	5.7
125.02300	6.3
125.05809	3.7
125.48097	3.7
161.07054	3.6
163.11157	4.9
171.10141	5.1
174.03442	3.5
201.11073	4.3
209.09894	6.9
209.11774	100.0
210.12050	6.4
227.12840	16.1
235.08292	4.8
244.18837	5.1
250.53183	3.8
255.23302	62.7
281.24930	8.9
379.12473	16.0
397.13528	45.5
398.13977	4.9
415.14517	11.6
553.59161	4.2
559.40240	4.5
923.45056	9.1
924.45862	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	921.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	1.0
68.99698	1.9
69.03317	3.5
71.01256	42.1
71.52912	1.3
72.99168	3.1
73.02816	8.7
75.00745	14.8
83.01265	4.0
85.02826	23.9
85.99953	1.4
87.00741	11.5
87.04399	2.8
89.02325	9.9
95.01277	4.4
97.02824	7.2
97.06433	2.9
99.00759	25.7
101.02320	11.1
103.03925	1.2
110.03616	1.9
113.02328	13.4
115.03887	1.7
116.92747	2.6
119.03363	1.1
125.02314	4.0
125.09595	5.2
131.03415	7.5
138.67145	1.3
142.02609	3.2
143.03394	5.0
145.04953	0.9
147.04408	2.2
157.01440	1.1
161.04478	1.6
163.11194	8.4
173.06039	1.8
176.08389	0.9
181.12263	12.2
191.00195	0.9
199.13281	2.3
199.96031	1.1
205.07106	2.5
207.10210	36.9
208.10582	2.2
209.11737	2.5
221.06558	1.0
224.39607	1.0
225.11275	60.2
226.11539	2.5
235.08223	1.6
243.12367	18.0
253.09312	0.9
255.23277	47.7
256.23615	2.8
297.15051	1.7
323.16672	1.3
341.17468	1.6
379.12482	1.3
397.13474	8.0
406.04575	1.1
411.45377	1.1
415.15186	1.4
465.37216	3.0
536.42383	1.1
591.13135	1.1
605.24548	14.5
623.25781	5.0
861.48523	81.5
862.48737	13.2
877.49255	1.4
903.50446	2.3
921.52051	100.0
922.52582	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	923.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	11.8
69.32864	6.0
69.33289	7.2
71.01241	1.8
75.20055	1.6
83.01241	7.5
86.17410	1.8
87.00748	4.0
94.16014	1.5
95.01260	7.7
98.19810	2.9
107.01269	23.7
111.00748	2.8
121.02826	2.2
123.00758	4.9
124.01542	17.7
134.03622	2.4
137.02313	5.1
139.00241	2.5
145.02803	2.1
147.04408	4.4
149.02338	3.4
151.00275	76.2
152.01065	47.8
153.01793	2.7
159.04391	3.0
163.00325	8.5
164.00882	1.9
169.01384	10.1
169.02608	2.1
174.97218	1.4
175.03960	2.0
177.01825	6.0
178.99777	98.2
180.00075	5.4
190.99698	2.0
191.03432	2.6
192.00539	2.5
193.01346	9.1
193.04970	4.0
199.03888	5.5
211.07365	1.6
215.10721	2.5
217.01385	2.2
226.02643	1.8
227.03477	39.7
228.03975	3.2
241.01407	3.3
243.02933	6.9
243.10196	5.2
250.92593	1.9
253.01341	2.2
255.02942	6.0
256.03271	2.0
269.01007	3.2
270.01672	4.1
271.02438	12.1
295.02243	2.6
295.05435	1.9
299.02060	8.8
300.02621	22.3
301.03348	8.1
309.03720	1.9
313.03421	2.7
319.11948	2.4
328.05798	2.6
333.03931	2.7
345.04077	3.6
361.03613	3.1
363.10791	6.3
389.02826	5.7
401.02908	3.2
417.01349	1.8
417.06534	3.2
419.03955	7.2
433.05280	2.3
434.06229	4.6
447.07193	9.3
448.07996	2.5
449.08176	1.8
458.06564	2.2
493.98337	1.9
553.04120	1.9
611.08807	2.0
629.09662	10.2
923.18671	100.0
924.19244	22.8
933.72186	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	921.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54512	1.3
87.00743	1.2
89.81170	1.1
91.01756	17.9
98.20576	2.5
99.00709	2.4
108.01981	2.3
109.02796	2.7
113.43201	1.0
116.43600	1.0
121.02817	2.1
123.00739	4.3
124.01503	1.5
125.02217	1.2
134.03516	1.2
135.00778	43.7
136.01164	1.7
137.02295	3.0
147.04411	2.1
153.00687	1.8
153.01845	28.7
154.02109	1.2
155.04805	1.2
159.04382	2.0
161.02324	2.8
161.05742	1.1
163.00279	49.4
164.00652	1.2
164.87921	1.2
165.01912	1.5
167.91698	1.0
171.04358	2.4
175.03894	2.1
176.01012	1.1
177.01830	2.9
179.03369	1.3
191.05409	1.4
193.04968	2.7
195.06590	1.3
199.03894	3.9
203.25243	1.2
211.03947	1.9
213.01810	1.2
224.18546	1.1
226.02596	1.5
227.03430	34.0
228.03752	3.1
239.03458	2.9
243.02849	1.8
255.02946	12.5
256.03366	1.7
269.00873	2.1
272.02643	1.4
283.02478	3.1
284.03241	13.8
285.03824	6.1
300.02695	1.7
303.03275	1.6
315.06879	1.5
317.04355	1.5
329.04318	1.3
331.05911	1.3
344.03278	1.4
344.78448	1.3
345.03976	3.5
357.04053	1.9
373.03439	3.5
374.04068	1.9
375.04910	2.1
385.02914	1.3
387.05145	2.0
390.56619	1.1
397.10248	1.3
400.65561	1.2
401.02963	2.1
403.04398	6.6
404.04517	1.4
413.02991	1.3
415.04391	1.8
416.05045	1.8
417.06339	2.1
430.06885	1.3
431.03323	6.5
432.03967	2.3
433.04669	2.0
433.09717	2.6
447.06970	2.3
461.08679	18.1
462.09186	2.5
463.10037	2.6
472.07837	2.8
535.06738	1.5
579.13361	1.9
581.09961	1.6
609.09875	1.8
627.11487	7.9
628.11615	1.5
644.53253	1.2
649.19543	1.2
726.66022	1.3
921.20697	100.0
922.20868	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99944	1.1
65.00201	11.8
69.44084	2.5
69.44489	8.3
71.01257	2.4
83.01250	8.1
85.02844	1.5
87.00751	4.5
93.03319	1.2
95.01256	6.7
95.55912	1.1
107.01277	23.0
109.02833	2.4
111.00777	3.0
112.46571	1.3
113.02338	1.8
121.02846	4.1
123.00761	4.9
123.04436	1.6
124.01555	16.0
125.02312	3.1
126.56886	1.1
134.03612	1.6
137.02332	3.2
138.75771	1.2
139.00267	2.0
145.79924	1.2
147.04416	3.9
149.02301	3.4
149.05916	1.6
151.00284	64.7
151.03894	1.5
151.99937	2.2
152.01077	38.0
153.01680	2.6
159.04417	8.0
161.02347	2.1
161.05913	2.1
163.00241	5.7
163.03908	2.7
165.01918	1.4
169.01361	11.5
173.05948	2.1
175.03864	2.2
177.01848	2.5
178.99789	75.8
180.00151	3.4
187.03928	2.1
191.03467	1.8
191.05528	2.1
192.00554	3.7
193.01407	7.1
198.03137	2.2
199.03883	3.8
203.03397	1.5
211.03960	1.9
215.03452	1.3
226.02727	2.0
227.03455	37.0
228.04097	3.1
229.08603	1.4
242.02162	3.3
243.02988	9.1
251.07057	2.7
255.03004	7.7
257.04398	1.6
269.00952	1.8
269.04355	1.9
270.01596	3.0
271.02524	12.9
271.05359	1.8
272.02969	2.2
279.06726	1.7
283.02588	2.2
284.03265	1.6
285.03561	1.5
293.41208	1.3
295.02390	2.5
297.07657	3.6
299.01859	7.1
300.02756	17.7
301.03339	8.4
305.04520	2.3
312.09732	1.8
313.03391	5.7
313.07089	2.5
314.03906	5.1
317.04559	2.6
321.04071	1.6
327.08832	1.8
327.12259	2.7
333.03833	1.6
333.09760	5.2
338.07806	1.5
343.08237	2.1
345.03879	1.6
346.04871	2.5
347.05392	1.7
348.02744	1.4
349.03256	1.6
351.10876	1.4
353.10175	2.0
357.03790	1.8
360.02698	1.8
361.03424	3.0
371.11606	1.3
373.03430	2.8
374.04385	2.8
375.05170	2.0
385.03369	1.5
389.02621	2.1
401.02933	2.2
402.03717	3.2
403.04373	1.9
417.02048	2.6
419.03754	3.6
432.08740	1.9
433.05457	1.6
434.06284	2.7
435.06711	1.6
447.07227	6.7
448.08041	1.9
449.08676	2.1
458.06503	2.0
549.12762	2.0
579.13336	2.7
595.13007	1.6
611.08606	1.6
628.08630	2.4
629.09204	11.1
630.09552	2.5
652.12439	1.6
784.68011	1.8
905.17700	1.8
923.18738	100.0
924.18976	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.21
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31622	1.2
71.01249	3.7
73.02802	4.1
74.66835	1.1
85.02811	2.1
87.00735	2.0
89.02305	1.2
93.03313	2.8
98.19733	2.8
99.00748	7.6
99.29855	1.4
113.02282	1.5
121.02863	2.9
123.04400	1.9
134.03560	1.7
135.04378	1.5
137.02254	2.2
142.74751	1.4
147.04379	3.5
149.02307	3.2
151.00284	1.8
151.03893	1.6
155.26221	1.3
159.04410	4.3
165.05418	2.4
175.03900	2.0
179.03482	1.6
181.89842	1.2
187.03781	1.5
189.01912	2.0
193.04984	3.8
196.94460	1.3
211.03935	1.5
227.03346	4.1
230.08569	2.0
255.02988	12.1
256.03723	1.5
277.04965	1.4
283.02441	4.5
284.03226	8.9
285.03998	10.3
297.07813	1.3
300.02640	1.8
313.03372	2.1
327.12469	2.0
329.06552	1.4
343.08041	4.2
361.03409	1.5
376.02530	2.5
377.02802	2.0
391.04474	5.2
401.02960	1.9
405.06152	2.7
417.02213	2.4
418.03336	6.0
419.04099	35.9
419.12805	1.4
420.04346	3.5
431.03900	4.3
433.05557	5.3
434.06287	6.4
445.01828	22.5
446.02203	2.5
447.03220	2.4
448.07941	8.9
449.08777	44.2
450.08975	5.0
459.03299	4.8
460.04141	4.3
475.01010	1.8
475.06833	21.5
476.06918	4.1
477.08289	2.6
489.08231	2.0
579.05072	3.3
579.13397	1.6
609.10461	1.7
626.10413	3.3
627.11334	5.0
801.18439	2.0
880.48853	1.5
921.20770	100.0
922.20966	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30688	0.8
69.03333	1.6
69.32294	2.2
69.32703	4.7
71.01254	100.0
72.01569	1.0
72.99187	2.1
73.02804	5.4
73.51540	0.9
76.76913	0.8
78.95748	1.8
80.96397	1.3
81.03336	1.8
83.01254	2.8
83.04903	1.5
85.02828	5.0
87.00748	6.7
89.02316	17.9
95.01256	2.5
97.02842	5.5
98.20561	1.7
99.00765	3.2
101.02325	15.5
109.06507	5.4
111.00815	0.9
111.04404	1.3
113.02322	7.7
113.88905	0.8
119.03368	5.6
121.02861	1.1
125.02342	8.4
125.09604	2.2
127.11166	2.5
131.03470	0.9
137.09595	1.1
143.03397	4.1
147.04372	1.1
155.10677	1.9
161.02354	1.1
161.04462	3.7
163.11201	3.1
171.10182	47.9
172.10541	1.7
179.05595	4.3
179.21126	0.7
181.12234	2.5
197.67790	0.8
199.09706	9.7
201.11246	13.8
207.10205	18.5
208.10600	1.2
215.12766	1.3
221.06557	1.8
225.11264	14.7
225.13326	1.4
235.08188	6.0
243.12311	2.6
243.27074	0.9
253.09250	1.2
263.07803	1.2
272.90677	0.8
277.21716	66.9
278.22095	7.2
287.07663	2.2
298.12558	1.0
305.08719	2.5
379.12491	5.6
397.13489	38.2
398.13739	3.7
415.14532	10.6
438.60992	0.8
472.44617	0.9
577.27081	2.2
605.24365	1.6
623.25507	1.7
857.45044	1.6
858.45593	1.2
883.46838	8.8
884.47272	3.7
901.47913	2.9
919.48859	15.6
920.49493	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	919.528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03294	4.3
71.01249	25.5
71.53427	4.3
73.53218	3.4
77.33949	3.2
85.02853	5.6
87.00737	5.8
89.02328	17.1
101.02334	16.6
105.29294	4.3
113.02332	13.3
116.92734	27.5
119.03382	6.4
125.02383	5.7
167.10539	4.9
195.13876	9.9
203.76558	3.5
205.12355	8.6
223.13359	100.0
224.13699	3.8
235.08340	4.9
255.23274	86.2
256.23630	5.3
314.77798	3.2
362.00656	3.6
379.12323	13.8
397.13519	55.6
407.79160	3.1
415.14532	6.9
512.14880	4.1
603.26227	10.2
621.27295	7.7
653.37805	6.2
672.32416	3.7
859.50403	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	919.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87764	1.5
69.18931	16.1
71.01250	6.2
73.02827	2.4
77.00414	1.5
80.16573	1.4
81.03330	1.9
83.01263	1.8
85.02789	2.3
87.00739	8.6
88.65390	1.5
89.03856	1.9
93.03336	2.6
96.95862	2.3
105.03326	2.3
108.02064	2.5
109.02790	2.3
113.02336	2.3
117.03348	3.0
119.04927	24.1
121.62628	1.5
123.04382	1.8
132.02081	2.2
133.02867	11.7
134.03647	13.7
135.04405	2.7
137.02332	4.6
138.80617	1.3
145.02826	5.2
147.04399	6.8
148.01608	1.8
149.02333	4.2
149.05963	5.0
150.03099	4.1
153.01883	1.7
159.04411	2.5
160.01585	4.1
161.02357	30.8
163.03926	15.0
164.04633	1.8
165.05508	2.3
173.04529	2.1
175.03862	4.6
177.01852	34.8
178.02554	3.8
187.00290	4.4
187.07620	2.5
189.01851	53.3
190.02266	3.4
190.47902	1.5
191.03519	2.6
191.05478	2.3
193.04990	13.8
203.03410	1.5
223.05931	1.7
227.03448	3.2
227.12840	3.7
228.43385	1.6
239.03407	1.8
242.02217	1.7
254.02086	2.5
255.03009	2.2
269.00830	2.3
270.01636	2.3
271.02405	1.9
283.02341	2.3
284.03287	2.5
285.04031	6.1
297.00653	2.2
298.01190	2.1
299.01901	4.6
299.05615	7.8
301.03549	1.8
311.01968	3.1
313.03598	15.6
315.04822	2.3
327.01410	2.1
327.05145	4.3
328.05829	6.8
329.03043	3.3
329.06586	3.5
342.07446	5.6
343.08267	24.5
353.10638	2.4
357.06497	1.8
359.07593	5.6
463.06839	1.9
487.10507	3.6
489.04822	4.2
501.04547	3.4
503.09619	4.7
504.10333	2.0
505.07874	4.6
517.11212	3.5
519.09265	34.2
520.09625	4.4
531.09290	100.0
532.09644	16.6
535.11737	16.9
575.08264	6.5
578.27448	1.6
642.87665	1.6
875.18439	10.6
876.18756	1.9
919.27509	10.9
920.26318	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	919.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72713	0.9
68.99680	1.3
71.01255	100.0
71.53497	1.1
72.99179	2.0
73.02809	3.6
78.95777	2.0
83.01242	3.0
83.04881	1.2
85.02831	4.8
87.00755	6.3
89.02312	14.9
95.01269	1.9
96.86199	1.0
96.95872	3.0
97.02822	6.3
99.00750	3.0
101.02309	15.2
107.39238	1.1
108.31562	1.1
109.06471	6.5
113.02342	6.9
114.79249	1.2
115.03924	1.3
119.03403	4.0
125.02345	7.9
125.09608	3.1
127.11172	2.6
127.65861	1.1
137.02357	1.3
137.48312	1.0
143.03397	3.1
155.10658	1.6
161.04459	3.8
163.11214	2.9
167.28706	1.0
171.10185	61.9
172.10574	1.9
179.05583	5.7
181.12206	2.5
197.11644	1.8
199.09688	11.1
199.13370	1.9
201.11266	18.4
207.10201	17.4
208.10519	1.8
209.11714	2.2
215.12862	1.6
221.06723	2.8
225.11259	17.4
226.11588	1.4
235.08153	6.3
243.12483	1.7
253.09238	1.6
258.60052	1.2
263.07712	1.1
277.21725	52.2
278.22052	5.9
278.24680	1.1
287.07697	1.6
305.08978	1.2
379.12384	4.5
397.13486	28.1
398.13782	3.9
415.14661	11.3
597.23938	2.1
605.24390	2.1
623.25543	3.8
640.82190	1.5
669.36188	1.3
857.44855	1.9
883.46991	8.2
884.47290	3.3
901.47620	2.9
919.48853	13.8
920.49512	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	917.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99680	1.4
69.48859	1.3
70.04665	3.9
71.01258	18.1
72.99192	1.5
73.02834	1.5
78.95763	2.3
80.02584	1.4
80.96405	1.9
81.03322	2.9
83.01241	1.4
83.04895	6.3
85.02811	4.1
87.00750	4.9
89.02331	11.5
94.08652	1.3
95.04935	1.5
96.95889	4.8
97.02848	2.6
101.02321	10.1
113.02322	7.6
119.03407	1.8
125.02328	4.4
143.03368	3.4
147.04451	2.9
161.04456	2.2
163.11169	3.7
165.12746	3.1
179.05504	3.5
209.11775	100.0
210.12137	5.1
211.13379	1.4
221.06592	1.4
227.12814	12.7
235.08221	2.6
251.66548	1.6
277.18643	2.2
277.21729	44.0
277.24802	2.2
278.22034	5.7
287.07675	2.5
290.87051	1.7
305.08502	1.8
341.17551	1.4
343.26932	1.2
379.12372	7.2
388.98529	1.2
397.13455	33.6
398.13739	2.9
415.14865	8.7
607.25800	2.7
741.70709	1.4
874.48462	1.5
917.46429	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99680	1.4
69.48859	1.3
70.04665	3.9
71.01258	18.1
72.99192	1.5
73.02834	1.5
78.95763	2.3
80.02584	1.4
80.96405	1.9
81.03322	2.9
83.01241	1.4
83.04895	6.3
85.02811	4.1
87.00750	4.9
89.02331	11.5
94.08652	1.3
95.04935	1.5
96.95889	4.8
97.02848	2.6
101.02321	10.1
113.02322	7.6
119.03407	1.8
125.02328	4.4
143.03368	3.4
147.04451	2.9
161.04456	2.2
163.11169	3.7
165.12746	3.1
179.05504	3.5
209.11775	100.0
210.12137	5.1
211.13379	1.4
221.06592	1.4
227.12814	12.7
235.08221	2.6
251.66548	1.6
277.18643	2.2
277.21729	44.0
277.24802	2.2
278.22034	5.7
287.07675	2.5
290.87051	1.7
305.08502	1.8
341.17551	1.4
343.26932	1.2
379.12372	7.2
388.98529	1.2
397.13455	33.6
398.13739	2.9
415.14865	8.7
607.25800	2.7
741.70709	1.4
874.48462	1.5
917.46429	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	918.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31630	100.0
71.01234	53.3
73.02197	9.7
78.95764	25.1
87.00733	48.7
87.71996	10.8
96.95877	11.6
97.02778	10.6
98.19634	10.5
105.38513	12.2
110.01360	12.7
147.04385	31.5
171.10143	44.4
192.04163	13.0
197.11748	16.4
199.94008	9.9
209.11734	28.7
210.12119	12.8
211.13312	20.2
277.21548	12.8
289.17917	11.8
293.21237	20.1
307.19196	20.0
313.03491	15.0
383.62650	12.3
397.13403	24.5
546.61780	13.1
740.82947	11.8
821.37762	13.2
918.46173	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67699	1.0
69.03314	4.9
71.01254	28.3
71.53871	1.6
71.91883	1.1
72.99184	2.7
73.02824	5.0
75.73312	1.0
81.03334	1.5
83.01266	2.2
83.04896	1.2
85.02827	8.1
87.00760	7.9
89.02311	19.4
93.03345	0.9
95.01256	2.0
95.04880	1.2
97.02826	6.4
99.00763	2.1
101.02328	18.4
103.61865	1.0
106.50430	0.9
109.02886	1.0
109.06474	1.9
111.08044	9.2
112.98666	1.3
113.02344	12.7
119.03363	5.3
125.02328	5.1
125.09644	1.8
137.09651	2.1
139.03918	1.1
143.03416	3.1
147.04457	1.5
149.09630	1.6
151.11258	1.2
153.12740	1.2
161.04465	3.4
163.11107	1.1
165.12750	2.5
167.10667	3.5
169.12230	3.8
171.10210	2.7
177.12788	1.1
179.05585	5.8
179.10692	2.8
179.14307	4.0
181.12352	1.6
183.13834	2.4
195.13853	10.5
197.11768	39.9
198.12076	2.0
199.13408	1.7
205.12265	9.4
209.11891	5.0
211.13394	6.9
221.06625	2.4
221.11777	2.5
223.13354	92.5
224.13663	5.4
227.12810	2.6
235.08257	6.0
239.12852	2.0
253.09172	2.2
263.07898	1.4
263.20108	2.7
265.17953	1.1
272.99167	1.0
289.18048	1.6
291.19666	26.5
292.20132	1.9
293.21231	4.1
305.08716	2.8
307.19040	2.7
309.20712	100.0
310.21069	8.6
323.09970	1.4
326.66727	1.1
327.21677	2.0
346.04178	1.0
379.12311	3.5
394.97531	1.2
397.13507	54.3
398.13766	4.2
415.14584	17.2
603.27063	5.2
621.27618	15.1
689.33679	2.0
707.34839	2.9
708.36401	1.3
913.47668	1.9
914.49182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	4.2
69.88424	7.4
71.01252	27.4
71.04881	1.6
72.99156	2.2
73.02811	5.3
81.03342	1.8
83.01261	3.6
83.04909	6.1
85.02825	6.1
87.00753	10.7
89.02328	15.0
92.64353	1.4
95.04900	3.0
96.95867	2.7
97.02848	5.0
97.06471	3.4
97.10693	1.5
99.00764	2.6
101.02329	18.0
109.06468	2.5
111.00770	2.1
113.02335	7.4
119.03398	2.2
119.04949	1.5
125.02326	5.7
125.09666	3.6
130.19450	1.6
137.02356	1.7
137.09682	2.1
141.01897	2.0
143.03400	1.9
147.04414	5.9
151.11116	1.6
161.04478	3.2
161.09637	2.0
163.11195	5.2
165.12819	3.0
171.10233	2.2
179.05565	2.4
179.10655	5.6
181.12242	2.7
185.11818	3.5
195.13789	4.0
197.11772	51.0
197.13550	3.1
198.12114	2.8
207.10242	5.0
209.11766	68.5
210.12090	5.0
211.13353	5.5
221.06546	2.8
223.13470	2.5
225.11235	4.8
227.12933	8.1
235.08214	3.8
241.10725	2.3
245.19058	4.8
253.09109	3.0
275.19992	1.9
289.18115	20.8
293.21243	13.1
307.19135	21.9
309.20572	2.5
343.08282	1.9
379.12518	1.9
397.13513	20.4
415.14755	7.1
512.43555	1.5
607.26221	1.7
682.78973	1.5
688.39276	1.5
830.96277	1.7
881.34149	1.8
897.45508	2.7
915.45966	100.0
916.46265	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	30.2
72.99184	4.6
73.02826	6.4
78.91775	4.0
78.95778	4.5
83.01295	4.3
85.02856	3.9
87.00748	12.8
87.54086	3.6
88.79738	3.9
89.02318	23.0
92.01132	3.7
95.98936	4.7
97.02827	6.9
98.19762	10.9
101.02334	19.7
111.46253	3.8
113.02340	16.3
115.03752	3.8
119.03384	8.5
125.02333	9.4
125.88406	3.7
137.02336	4.3
147.04427	5.8
161.04398	7.4
169.10818	5.7
169.12251	78.5
171.10133	22.8
193.04976	4.5
197.11778	4.8
207.10242	7.7
209.11705	8.1
211.13307	6.9
225.11330	4.8
235.08182	6.7
255.81783	3.9
277.21701	100.0
278.21945	7.1
305.08624	4.4
379.12479	22.5
397.13443	56.7
415.14581	7.6
496.36908	3.9
549.26245	8.9
567.26660	12.6
657.35095	4.7
821.37079	4.2
871.47095	20.4
889.48059	13.9
904.86127	4.4
916.45837	12.3
917.46503	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	917.2358
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
64.44490	0.6
65.00195	2.1
70.28735	2.3
83.01263	1.0
85.02839	0.9
93.03338	0.6
107.01275	4.0
108.02055	2.2
108.90773	0.7
109.02786	0.7
114.77477	0.6
123.00800	0.7
134.03650	2.3
135.00752	1.0
141.56750	0.7
146.34154	0.7
148.01608	2.2
151.00261	9.3
160.01585	2.2
161.02342	1.4
163.00278	1.5
164.01079	1.0
169.01332	1.2
175.03873	1.6
178.99799	5.5
183.04489	0.8
187.03911	1.0
189.87285	0.7
193.04950	1.3
198.03140	0.6
199.03961	1.6
201.01979	0.7
211.03932	1.8
215.03389	1.0
226.02740	1.5
227.03473	4.2
230.02229	0.7
243.02951	13.6
244.03473	1.4
254.02235	2.2
255.02963	31.1
256.03326	2.7
271.02475	75.4
272.02936	9.7
298.21835	0.6
299.02054	5.6
300.02750	100.0
301.03296	16.2
302.03894	0.9
525.52069	0.7
723.17828	4.4
724.17365	0.9
741.18842	19.8
742.18860	4.6
755.20648	0.8
759.79266	0.7
767.16589	0.9
887.63141	0.7
917.23511	30.8
918.24005	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	911.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79238	0.6
71.01255	47.0
71.04853	0.6
72.99170	3.1
73.02829	2.4
73.98529	0.5
75.00742	2.6
78.95773	0.6
81.03317	0.9
83.01258	6.8
83.04903	1.3
85.02816	8.3
87.00751	14.0
89.02317	48.4
90.02666	1.1
95.01278	3.0
97.02818	1.4
97.06461	1.2
99.00734	0.9
101.02325	23.9
102.02660	0.7
105.87930	0.6
109.06464	0.9
113.02334	22.1
113.22842	0.6
114.02685	0.8
115.03905	0.8
119.03397	18.8
123.04426	1.4
125.02341	1.3
125.09602	2.5
131.03389	3.4
139.11179	1.9
141.01802	1.3
143.02493	0.8
143.03430	8.4
147.04436	1.0
149.04500	1.4
151.07510	0.8
159.02927	0.7
161.04483	9.6
163.11206	2.5
164.02635	0.6
165.12778	4.2
167.10728	1.7
171.10202	1.6
179.05530	22.3
180.05904	0.7
181.12253	1.9
191.10703	1.9
193.15894	1.1
197.11679	1.1
209.11795	18.6
210.12135	0.9
211.13353	0.9
222.72122	0.6
229.82886	1.0
247.20737	2.4
273.22235	0.9
277.21725	100.0
278.22055	10.9
279.22342	1.5
289.18277	0.8
291.19672	16.3
291.23227	4.1
292.20010	2.0
301.21921	1.1
309.20706	26.3
309.24280	1.3
310.21182	3.3
319.22760	5.0
323.09854	33.0
324.10187	2.9
341.10886	70.1
342.11191	5.3
348.83710	0.7
572.03656	0.7
601.32330	24.3
602.32666	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	913.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90321	0.4
64.08863	0.4
69.03342	0.9
71.75738	0.5
73.02827	0.5
81.03333	0.8
85.02834	0.7
91.14217	0.4
93.90775	0.4
97.06459	1.0
98.20610	0.9
101.02324	3.3
109.02837	1.6
119.04878	0.9
122.03581	0.6
125.29550	0.4
135.88603	0.4
137.02345	1.7
139.03944	0.9
144.05721	0.6
145.02817	0.5
145.06540	0.5
146.03589	1.0
147.04420	12.8
148.05194	3.2
149.05949	0.9
154.96472	0.5
159.04431	8.0
160.05222	2.3
161.05981	2.4
163.07596	2.1
171.04434	0.5
172.05226	12.7
173.05995	21.3
173.09637	0.9
174.03120	1.2
174.06561	1.6
175.03809	1.1
175.07556	2.0
176.04723	4.2
183.04408	0.6
185.06030	1.3
186.06796	3.5
187.03979	2.8
187.07578	12.4
188.04599	0.5
188.08188	2.5
189.05518	5.8
189.09087	4.0
191.03423	0.5
192.04176	1.5
196.05173	1.5
197.06042	6.0
198.06729	3.3
199.07503	1.6
200.04689	2.0
200.08353	0.8
201.05530	8.5
201.09143	25.9
202.06090	0.7
202.09651	1.1
203.07109	1.6
204.04308	0.7
204.07860	12.6
205.08321	0.7
209.09474	0.5
211.07616	1.1
212.08380	1.7
213.05583	0.9
215.04950	0.7
215.07065	13.6
215.10405	0.7
216.04486	0.6
216.07864	9.8
217.05103	0.8
217.08235	0.7
217.12253	1.7
218.05595	0.5
223.07516	0.5
225.09160	2.8
226.09767	0.9
227.10739	26.4
228.11130	2.1
229.08710	2.4
241.08707	0.6
243.10251	1.0
244.07428	0.5
245.11806	23.2
246.12161	1.5
251.84944	0.4
260.06873	0.6
271.09741	4.5
289.10809	22.1
290.11209	1.4
333.09787	100.0
334.10126	8.3
400.18427	0.4
740.42053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.8
68.99693	1.9
69.03339	1.5
71.01254	30.7
71.40405	0.5
72.99185	2.7
73.02824	9.7
75.00748	15.8
79.05413	0.5
83.01249	3.7
83.04874	0.8
85.02821	23.3
85.99977	1.3
87.00750	24.0
87.04380	3.2
89.02322	5.0
90.96017	0.4
91.05418	0.7
93.03367	0.8
95.01263	2.6
95.04923	1.1
97.02841	0.6
99.00751	15.3
101.02327	4.8
101.05984	1.9
103.03931	1.3
103.05484	0.5
105.03367	1.8
108.02080	0.8
109.02870	0.5
111.00786	0.7
113.02329	11.3
113.03067	0.8
115.03895	2.7
118.32569	0.4
119.03354	0.5
119.04939	2.1
121.02822	4.0
122.03658	3.6
123.04401	1.1
125.02327	0.5
129.03368	0.5
130.99777	4.9
131.03389	7.0
133.02856	0.5
134.03670	0.4
137.02332	3.8
138.02805	0.5
139.00325	0.6
139.03906	1.1
143.03409	4.8
145.02872	1.7
145.04993	1.2
146.03661	1.9
147.04433	11.0
148.05231	2.5
149.02377	1.7
149.06004	1.3
150.03191	0.7
157.01326	0.7
163.03944	0.7
163.06105	0.9
164.04716	0.9
175.07549	0.5
183.13843	5.3
184.14160	0.8
187.04025	0.6
191.03482	1.2
192.04254	1.8
193.04962	0.8
205.07132	2.6
209.11784	2.5
211.13341	6.3
212.13771	0.8
217.01404	0.9
218.02089	2.6
227.13077	0.6
236.03329	0.5
254.04225	2.4
255.05142	1.1
287.16489	1.3
297.15027	0.7
313.18350	0.7
315.15964	0.6
341.17667	0.9
343.08301	0.8
347.26654	0.5
423.33057	0.6
455.35272	3.9
455.81866	0.5
457.37271	1.4
501.36005	0.7
525.39886	1.0
565.21564	0.8
571.40021	0.6
615.39178	0.8
658.34369	0.5
875.36877	0.6
893.36591	4.2
894.39294	1.8
911.50897	100.0
912.51251	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.7
68.99689	2.0
69.03336	1.1
69.24655	2.1
71.01255	31.1
71.04878	0.3
72.01601	0.4
72.99173	1.9
73.02821	9.1
75.00749	14.9
76.80635	0.2
81.03373	0.2
83.01261	3.9
85.02827	23.4
85.99960	2.1
86.03169	0.4
87.00755	9.5
87.04398	2.7
89.02322	3.4
91.05415	0.4
95.01267	2.9
97.02831	0.5
99.00758	14.0
99.04392	0.5
101.02322	2.7
103.03874	1.5
105.03339	0.6
111.00780	0.5
112.01566	0.6
113.02336	9.5
115.03902	3.3
119.04953	0.6
121.02915	0.5
125.02371	0.3
127.03854	0.3
129.01804	0.2
131.03401	6.6
137.02373	0.4
137.52098	0.2
139.00221	0.4
143.03406	5.2
145.04971	0.9
146.03662	0.4
147.04427	2.6
148.05174	0.4
157.01363	0.7
161.04489	0.3
163.06067	1.0
191.03438	0.3
201.11198	0.3
205.07175	2.2
211.13362	0.6
218.02106	0.5
247.08290	0.3
339.27640	0.3
403.94531	0.2
437.34152	0.9
455.35306	1.8
525.39685	1.0
551.16260	0.3
641.65643	0.3
659.32031	0.3
893.34534	0.4
893.49371	1.0
911.50232	100.0
912.50659	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01767	0.5
68.99686	1.8
69.03326	1.0
71.01254	31.5
71.41166	0.6
72.01563	0.4
72.99171	2.3
73.02818	10.1
74.03152	0.4
75.00747	16.1
81.03347	0.4
83.01266	4.2
84.02039	0.4
85.02823	24.9
85.99963	1.9
86.03169	0.4
87.00749	11.8
87.04385	3.2
89.02318	3.7
91.05421	0.3
93.03318	0.3
95.01276	2.5
97.02852	0.5
99.00757	16.0
99.04424	0.7
101.02322	4.2
101.05954	0.4
103.03898	1.4
111.00757	0.6
112.01568	0.5
113.02327	12.2
115.00262	0.6
115.03893	3.8
119.03426	0.5
119.04949	0.5
121.02818	0.6
122.03620	0.3
125.02299	0.4
129.01834	0.3
130.99777	0.5
131.03391	8.0
137.02335	0.5
139.00270	0.4
139.03896	0.3
142.04729	0.3
143.03404	6.1
145.02808	0.4
145.04926	0.7
146.03603	0.3
147.04440	2.1
148.05161	0.3
149.06067	0.4
157.01369	1.0
163.06046	1.2
171.86484	0.3
191.05568	0.3
192.04326	0.3
200.20775	0.3
205.07092	2.6
209.11749	1.0
211.13249	1.4
271.13470	0.3
423.32639	0.4
439.32098	0.4
453.33859	0.5
455.35269	3.3
456.35568	0.5
457.37009	0.9
499.70084	0.3
501.36258	0.6
525.39423	1.6
568.25165	0.4
569.38440	0.4
571.40228	0.9
615.38788	0.7
630.56622	0.3
893.35547	0.6
893.49438	0.9
894.37079	0.3
911.50189	100.0
912.50586	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07594	0.4
65.55590	0.4
65.79826	0.4
67.01762	0.4
68.99696	2.3
69.03325	1.6
70.56216	1.1
70.56544	0.6
71.01256	33.1
72.99178	2.5
73.02818	9.8
73.03194	0.8
74.13109	0.4
75.00746	13.8
79.05382	0.4
83.01263	5.2
85.02825	23.7
85.99986	1.9
87.00757	17.3
87.04383	3.5
89.02329	5.1
91.05437	0.8
93.03322	0.6
95.01241	2.6
95.04935	0.9
96.55854	0.5
97.02849	0.7
99.00762	15.5
99.04424	0.8
101.02316	4.0
101.06027	0.7
103.03921	1.2
103.05480	0.7
104.47095	0.4
105.03370	0.6
108.02060	0.7
109.02860	0.5
111.00754	0.8
112.44749	0.4
113.02338	11.9
115.00253	0.7
115.03893	3.4
119.03399	0.7
119.04938	1.0
121.02870	2.3
122.03651	1.5
129.03394	0.6
130.99780	1.0
131.03410	9.1
133.02879	1.0
135.04335	0.7
137.02361	10.1
139.00319	0.9
139.03912	3.6
140.04292	0.6
143.03406	6.0
145.02884	0.6
145.05064	1.0
146.03659	1.4
147.04425	20.9
148.05238	9.2
148.99321	0.5
149.05841	1.0
157.01357	1.0
159.04451	0.7
163.03967	1.4
163.06113	0.6
164.04767	0.6
174.03206	0.6
183.13869	0.9
185.06046	0.6
186.06834	0.5
187.03923	0.5
189.05505	0.5
190.06296	0.6
191.03436	0.8
192.04207	6.7
192.05728	0.6
193.04942	1.1
195.96263	0.4
205.07121	3.2
207.02922	0.8
209.11844	1.8
211.13364	2.4
215.07181	0.6
216.07870	0.4
217.01469	0.7
218.02228	1.6
224.03314	1.1
236.03241	2.6
237.04002	1.0
271.13467	1.1
287.16647	0.8
297.14999	1.1
313.14551	0.6
313.18063	0.8
315.16174	1.7
323.16650	0.9
325.59756	0.5
333.17380	0.7
339.16260	0.8
341.17731	1.4
341.46246	0.5
423.32767	0.6
455.35400	3.1
491.66345	0.4
525.40204	1.4
539.37561	0.8
547.02026	0.5
568.25177	1.0
569.38403	0.9
585.38348	0.6
615.39130	0.8
629.37451	0.8
823.39447	0.8
849.39209	0.9
875.38153	0.9
893.35669	2.8
893.52832	0.9
894.37805	0.7
911.50842	100.0
912.51343	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	911.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29851	1.0
68.99683	1.0
69.03307	1.5
70.49137	2.1
70.49501	2.2
71.01234	6.1
73.02819	1.2
75.00701	1.1
78.95820	1.0
79.95589	1.4
83.04930	1.5
85.02825	2.4
87.00764	5.6
89.02314	2.0
91.05405	2.9
93.03339	2.0
95.04886	1.4
96.16972	1.0
96.49911	1.1
96.95894	39.4
99.04362	0.9
101.02325	3.9
103.05391	1.5
105.03335	2.4
108.02026	1.4
109.02803	1.7
113.02325	2.1
119.04907	4.0
121.01979	0.9
121.02852	4.4
122.03614	1.5
123.04374	1.2
125.09596	1.2
129.03348	1.3
133.02797	1.6
134.03667	1.1
135.04453	1.8
135.97311	0.9
137.02342	13.7
139.03914	4.6
145.02867	2.2
146.03625	3.3
147.04420	56.1
148.05220	12.5
149.06007	1.6
159.04404	9.7
160.05170	4.5
161.02357	2.9
161.05946	5.6
163.03925	2.9
163.11194	1.6
164.04619	1.1
165.05490	1.0
172.05185	7.2
173.05991	20.8
174.03120	2.8
174.06714	4.0
175.04008	4.9
176.04698	3.2
183.04459	1.3
185.06024	4.2
186.06792	6.0
187.03922	6.2
187.07524	4.8
188.04657	2.5
188.08301	3.3
189.05533	7.1
191.03438	6.7
192.04247	6.0
193.04965	2.4
196.05247	1.5
197.06007	6.7
198.06822	2.7
199.07698	2.6
199.09566	1.2
200.04688	3.2
200.08330	3.7
201.05545	11.6
201.09296	2.6
201.11243	8.4
209.11787	9.6
211.07594	2.3
211.13292	3.3
212.08499	2.2
213.05556	2.4
213.09079	1.2
214.06204	1.6
215.07054	4.8
216.07866	14.0
217.08310	1.4
218.05783	2.0
241.12260	2.9
242.05804	2.3
245.11818	1.2
253.15877	1.4
255.02898	1.2
260.06900	1.9
269.15454	2.9
271.13327	1.3
283.13455	5.1
285.14984	7.1
289.10770	2.3
295.17035	1.9
297.14954	36.2
297.18396	2.0
298.15390	3.6
300.13742	3.9
301.14423	1.6
311.12888	4.2
312.13519	1.6
313.03476	4.1
313.14542	1.4
313.18179	3.5
314.38263	1.2
315.16003	9.7
316.16351	1.3
323.16531	20.8
324.16779	2.5
325.14444	2.9
333.09802	35.3
334.10214	3.6
339.16031	2.3
341.04993	1.3
341.17581	39.3
342.17935	3.9
343.08316	7.2
344.08594	2.4
357.17136	1.7
359.18677	6.6
367.15543	3.0
385.16559	4.5
400.78598	1.0
401.76813	1.0
424.14587	1.4
455.13388	1.1
577.26251	1.7
595.27600	2.1
621.25714	1.3
639.26086	2.3
779.37616	2.4
805.39777	3.3
823.37878	4.9
824.38232	1.7
831.37872	1.5
849.38550	15.4
850.38977	2.4
867.38885	3.5
875.22528	1.1
875.36847	6.2
876.38098	1.7
893.38556	11.4
894.39880	2.7
911.39246	100.0
912.39587	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	0.6
68.99677	0.7
69.03333	1.1
69.47899	1.2
69.48312	3.3
69.55296	0.6
71.01257	18.0
72.99187	4.4
73.02814	6.2
75.00747	34.1
83.01260	4.0
85.02824	15.6
85.99988	0.6
87.00748	10.7
89.02316	2.4
91.09041	0.6
95.01252	2.5
97.02834	0.9
99.00748	5.8
101.02330	9.5
111.00799	0.7
113.02319	7.8
115.00262	0.9
115.03876	0.9
117.01847	1.1
119.00410	0.7
121.02865	0.9
122.03645	0.8
125.02327	0.9
129.01819	0.7
130.99786	1.2
131.03395	2.0
137.02371	1.6
139.03862	0.6
143.03336	1.4
145.02820	0.8
146.03648	0.7
147.04427	4.0
148.05153	1.5
149.02370	0.9
149.05992	1.4
163.03899	0.7
191.03413	0.8
192.04190	0.8
209.11821	1.2
211.13368	2.1
213.18704	0.7
218.02104	0.7
236.03127	0.6
289.18124	0.7
315.85455	0.7
397.14005	0.8
403.91675	0.7
414.54645	0.7
468.39340	0.7
475.73553	0.6
617.40118	1.2
726.34204	0.7
771.18384	0.9
893.37909	1.7
894.37451	0.8
911.50214	100.0
912.50726	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	909.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.5
68.99699	4.3
69.03327	1.2
71.01257	32.9
71.69921	0.5
72.01600	0.5
72.99191	2.7
73.02823	9.2
75.00747	13.8
79.05433	1.8
81.03356	0.5
83.01266	3.8
85.02826	24.5
85.99978	1.7
87.00751	13.0
87.04396	3.0
88.98689	1.6
89.02326	3.8
91.05404	5.7
93.03336	1.6
95.01273	3.2
95.04916	4.8
97.02850	0.5
99.00761	13.8
99.04404	0.7
103.03914	1.4
103.05427	4.7
105.03348	7.3
108.02069	2.3
109.02892	1.2
111.00770	0.7
112.01543	0.6
113.02337	11.3
113.03064	0.7
115.00233	0.7
115.03912	2.7
117.03420	0.6
119.04922	8.3
119.05719	0.7
121.02840	7.0
121.03531	0.5
122.03656	1.4
123.04446	0.8
129.01878	0.6
129.03358	2.7
130.04118	0.6
130.99760	0.9
131.03404	6.6
133.02869	1.8
135.04404	0.5
137.02350	5.5
139.03943	2.0
143.03400	4.2
145.02872	4.4
145.05025	1.2
146.03619	3.1
147.04428	46.6
148.05222	9.8
149.06006	6.3
157.01419	1.0
159.04425	0.5
163.03935	0.7
163.06104	1.4
164.04761	0.7
170.65657	0.5
171.10176	3.8
173.06021	1.3
174.03114	0.9
174.06729	0.5
175.04001	0.6
175.07625	0.8
183.13847	0.7
185.06093	0.5
189.01756	0.7
191.03438	8.4
192.04211	4.4
193.04973	4.8
201.05690	0.9
201.09138	0.6
205.07018	2.6
207.10201	0.9
209.11935	1.7
211.13351	11.3
215.07272	0.8
217.01382	4.8
218.02156	9.5
219.02988	2.0
235.02519	2.2
236.03244	0.7
253.09276	0.8
271.13342	0.5
297.15051	0.8
313.18335	1.8
330.86130	0.5
331.19278	1.0
339.16055	1.0
341.17676	0.9
343.08447	0.6
357.17117	0.8
437.30594	0.6
447.22839	0.8
453.33731	3.1
455.35657	2.0
523.38074	0.9
569.38641	2.6
570.39453	0.6
613.37726	0.9
736.18402	0.6
833.39697	0.8
837.35767	3.3
838.36298	1.4
891.48767	1.1
909.49310	100.0
910.49768	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	1.7
69.03345	1.6
69.19926	8.1
71.01257	29.8
72.99192	2.5
73.02815	10.2
75.00743	13.7
79.89139	0.7
83.01259	4.2
85.02825	23.3
85.99974	1.9
87.00756	21.8
87.01278	1.4
87.04416	2.8
89.02340	3.4
91.05426	2.1
93.03341	1.2
95.01289	2.4
95.04906	1.0
97.02897	0.9
97.06444	0.9
99.00761	13.5
103.05444	1.6
105.03372	2.1
108.02076	1.2
109.26791	0.8
111.00747	1.2
113.02326	12.9
113.03044	0.9
115.03880	4.0
119.04936	2.9
121.02855	3.7
123.04425	1.9
130.99832	1.3
131.03380	6.7
134.03682	1.7
135.04460	1.8
137.02359	6.2
139.04013	2.4
143.03395	4.8
145.02905	2.3
145.05008	0.9
146.03641	4.2
147.04427	22.9
148.05197	6.9
149.02486	1.0
149.05963	3.8
153.01871	0.7
157.01389	1.4
159.04449	2.4
160.05118	1.2
161.02380	1.6
161.06046	0.9
163.04002	2.3
163.06158	0.9
164.04768	1.6
165.05556	0.9
172.05283	1.0
173.06024	2.4
174.03194	1.1
175.03943	1.8
175.07579	1.4
183.13838	1.8
185.06100	1.7
186.06781	1.0
187.03928	2.0
187.07561	2.2
188.04776	2.6
189.05544	1.1
190.02806	1.1
191.03575	2.7
191.05569	0.9
192.04260	2.9
193.05064	3.5
196.05284	1.0
199.07756	0.8
200.08388	1.1
201.05559	1.1
201.09259	1.8
202.06459	0.8
203.07028	0.8
205.07266	1.7
207.10268	1.1
208.15274	0.8
209.11859	2.3
211.03937	0.8
211.13344	5.2
213.05634	0.7
213.55528	0.7
215.07095	1.1
215.10800	1.0
216.07892	1.2
217.01401	1.5
218.02113	4.6
219.02621	0.8
225.11360	1.0
229.08716	1.2
236.03317	1.3
237.03958	1.0
243.10249	1.8
255.05197	2.4
271.13446	1.4
283.13528	0.9
289.14688	0.9
297.15076	1.9
311.12982	0.9
313.14673	1.7
313.18051	1.6
315.16354	1.5
323.16516	1.7
333.42743	0.8
339.16190	1.3
341.17673	2.2
343.08420	1.7
357.17230	1.8
429.15387	1.1
447.16843	4.0
453.33911	2.2
479.19733	1.1
523.38147	1.8
821.40692	2.3
833.40399	1.0
891.37195	2.6
909.49542	100.0
910.50830	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	909.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01745	0.7
68.99677	2.3
69.03328	2.0
71.01251	41.4
72.01604	0.9
72.99180	3.0
73.02823	11.4
75.00746	17.4
78.95795	0.8
81.03339	0.9
83.01256	4.1
83.04879	0.7
85.02824	28.9
85.99968	2.6
87.00750	24.4
87.04397	2.7
89.02316	5.3
91.05379	2.5
93.03341	1.9
95.01262	2.7
95.04895	2.0
97.02841	1.5
98.20628	0.5
99.00753	19.0
103.03871	2.0
103.05412	1.5
105.03326	2.6
108.02036	1.3
108.16993	0.6
109.02795	0.8
111.00767	1.1
113.02330	14.3
114.02638	0.7
115.03915	3.8
119.04903	3.1
120.60915	0.6
121.02841	6.1
122.03627	2.0
123.04409	1.1
123.08044	0.6
130.99747	1.9
131.02464	0.8
131.03406	8.3
133.02853	0.9
134.03662	1.0
135.04384	1.2
137.02344	5.8
139.03925	2.0
143.03404	6.4
145.02887	3.1
145.04979	1.3
146.03590	2.6
147.04417	24.1
148.05206	7.1
149.02325	1.2
149.06013	3.1
150.23537	0.6
157.01282	1.3
159.04399	1.8
161.02318	1.0
161.04556	0.6
161.05969	1.4
161.28729	0.7
162.03094	0.9
162.06804	1.0
163.03874	2.5
163.06009	1.2
164.04654	1.3
170.19879	0.7
172.05191	1.2
173.05954	2.0
174.01512	0.6
174.03075	1.4
175.03931	2.5
175.07486	0.8
177.01779	1.5
183.13826	2.8
185.06010	1.1
186.06781	1.6
187.03947	2.0
187.07515	1.5
188.04672	2.3
189.01904	0.7
189.05478	1.5
191.03462	3.3
192.04233	4.4
193.04999	1.5
197.06001	1.4
201.05447	0.7
201.09087	1.0
202.06230	1.0
205.07039	3.1
207.02840	0.9
207.10207	2.9
209.11781	1.2
211.13336	8.3
214.06303	1.1
216.07889	0.9
217.01300	2.1
218.02164	4.6
219.02895	0.9
225.11261	2.3
229.08604	0.8
229.63338	0.7
236.03282	1.2
253.09128	0.8
254.04283	0.8
285.14957	1.8
297.14905	3.7
311.12991	0.9
313.03391	0.7
313.14490	1.5
313.18060	2.3
315.16101	1.3
323.16406	2.4
339.15851	1.8
341.17487	3.8
343.08371	1.2
355.15637	1.2
359.18219	0.6
423.32770	1.1
425.34335	0.9
428.93225	0.8
439.32056	0.8
453.33774	2.7
455.35123	1.8
477.32642	0.8
523.38171	1.6
524.38196	0.7
789.40460	0.7
821.38812	0.8
833.39935	1.6
847.37128	1.2
877.38654	1.3
891.34644	3.4
892.36285	0.8
909.49597	100.0
910.49823	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57582	0.6
66.45731	0.6
68.99677	2.0
69.03320	1.9
71.01254	38.5
71.11081	0.8
71.43524	0.5
72.99194	3.1
73.02821	11.0
75.00746	14.7
79.05387	0.7
79.29752	0.6
83.01267	5.2
83.04906	0.7
85.02826	26.5
85.99966	1.5
87.00751	26.3
87.04396	2.9
88.98662	1.3
89.02325	5.1
91.05405	3.0
92.11608	0.6
93.03337	1.7
95.01264	3.6
95.04919	1.9
96.95862	0.7
97.02846	1.0
99.00758	16.0
103.03886	1.5
103.05373	1.3
103.36556	0.6
105.03339	3.0
108.02060	1.7
109.02839	0.8
109.06483	0.7
111.00774	1.1
112.01569	0.7
113.02333	10.4
115.03884	3.2
119.03427	0.6
119.04949	3.1
121.02862	4.7
122.03652	1.3
123.04404	1.0
125.02358	1.2
129.01801	0.6
129.03381	1.2
130.04129	1.1
130.99741	2.1
131.03395	7.6
133.02856	1.6
134.03619	1.0
135.04391	1.5
137.02336	6.1
139.03909	1.8
143.03383	5.9
145.02882	3.6
145.05002	1.0
146.03633	3.3
147.04425	26.8
147.05605	1.4
148.05240	7.0
149.02397	1.0
149.06012	3.6
150.03110	0.9
157.01349	0.9
159.04425	2.3
160.05154	0.8
161.02274	1.1
161.05937	0.9
162.03082	1.5
163.03882	2.2
163.05988	1.5
163.11191	0.9
164.04654	0.8
171.10172	1.2
172.05223	2.6
173.05949	5.0
174.03151	1.6
174.06798	1.0
175.03902	2.4
183.13849	1.7
185.05971	1.8
186.06714	1.5
187.03960	1.7
187.07570	2.0
188.04741	1.9
189.05478	1.6
191.03395	3.2
192.04179	3.9
193.04947	2.5
198.06783	1.1
199.07594	1.0
200.04660	0.7
200.08255	0.9
201.05533	2.4
201.09129	1.9
202.06223	0.6
205.07077	2.8
207.02850	0.6
207.10167	1.6
209.11745	0.8
211.13329	10.0
213.05542	1.0
214.06183	1.3
215.07103	1.6
216.07811	2.5
217.01311	2.0
218.02139	4.5
219.02628	0.6
225.11287	2.4
237.04001	1.2
255.02733	0.8
257.15329	0.7
285.14960	1.0
297.14969	6.1
298.15277	0.7
300.13696	0.9
311.13043	1.0
311.16519	1.0
312.13351	0.7
313.14584	1.2
313.17935	1.3
315.15918	1.4
323.16409	3.0
339.15952	1.9
341.17667	5.7
343.08096	2.1
357.17178	1.1
359.18631	0.8
367.15381	0.7
447.16599	0.8
453.33688	2.9
523.37683	1.2
777.36847	1.1
789.40259	1.9
803.37231	1.1
815.38074	0.8
833.39105	3.6
834.70239	0.6
847.37207	1.2
859.37628	1.2
865.39703	1.1
877.37994	1.6
891.34253	3.7
892.39594	0.9
909.49603	100.0
910.50574	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	909.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99706	2.3
69.03343	1.5
71.01254	36.7
71.08128	1.2
72.99193	2.5
73.02824	9.9
75.00752	16.2
76.84588	0.6
83.01250	4.1
84.02060	0.8
85.02827	25.1
85.99984	1.4
86.03154	0.8
87.00752	22.5
87.01278	1.2
87.04404	2.6
89.02328	5.1
91.05431	2.0
93.03330	0.7
95.01289	2.8
95.04917	1.7
97.02888	1.3
97.25573	0.6
99.00757	15.8
99.01347	1.0
103.03919	1.6
103.05440	1.3
105.03362	1.6
109.02853	1.3
111.00748	1.2
111.92856	0.7
113.02344	14.2
115.03913	3.9
119.03409	0.6
119.04948	2.7
121.02872	3.0
122.03651	1.1
123.04440	2.4
125.09652	0.9
129.03400	0.8
130.99806	1.7
131.03406	7.3
132.02086	0.8
133.02898	1.0
134.03674	1.6
135.04469	2.7
137.02367	5.5
137.88791	0.6
139.03972	1.4
143.03406	5.7
145.02808	3.3
145.05011	1.5
146.03674	3.0
147.04431	17.4
148.05214	5.0
149.06023	4.0
159.04489	2.2
161.02374	0.8
161.05984	0.8
163.03972	2.9
163.06114	1.7
164.04681	1.4
165.05455	1.1
171.04532	0.8
171.10216	1.0
172.05292	1.9
173.05896	1.5
174.03191	1.9
175.03979	1.4
175.07541	0.9
183.13907	2.9
185.05966	1.2
186.06830	1.1
187.03929	1.6
187.07635	1.1
188.04825	2.0
189.01924	1.1
189.05499	1.3
191.03470	1.9
192.04321	3.2
193.05089	2.0
198.06653	0.8
199.03967	0.6
199.07651	1.1
200.04761	0.7
201.05566	1.5
201.09207	0.9
202.06230	1.0
205.07184	2.4
207.10185	1.0
209.11732	1.2
210.07030	0.6
211.13350	4.7
213.05621	0.6
214.06335	1.5
215.07150	1.2
216.07849	0.9
217.01395	1.2
218.02179	2.5
219.02730	0.7
225.11395	1.4
236.03328	1.1
237.04018	1.0
240.98550	0.7
242.17245	0.7
242.74184	0.6
243.10214	0.8
245.08197	0.8
255.05128	3.3
271.09891	1.5
271.13364	1.1
279.43381	0.7
297.15033	1.8
313.14667	1.9
313.18115	1.1
323.16632	1.1
324.16992	0.9
331.15591	1.1
339.16199	1.5
341.17584	1.5
343.08539	0.9
357.17233	2.2
385.16614	0.7
386.53848	0.7
429.15726	0.9
447.16721	3.3
453.34039	2.3
455.36041	1.1
466.16876	0.7
479.19727	1.5
520.72833	0.7
523.38342	1.6
803.39008	0.9
821.40356	3.1
847.38171	1.0
865.38562	0.8
877.40375	1.1
891.35529	3.2
892.36469	1.5
909.49463	100.0
910.50128	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	903.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99689	0.5
66.96666	0.5
69.03332	1.3
71.01255	23.5
72.99203	2.1
73.02842	3.5
75.00787	0.8
75.16338	0.6
80.02597	1.0
80.96424	0.9
81.03364	1.6
83.01265	2.7
83.04909	4.8
84.02043	1.2
85.02831	4.4
87.00751	5.4
87.68635	0.5
89.02319	16.0
89.02818	1.1
89.34633	0.5
95.01294	2.1
95.04915	1.0
97.02833	3.6
98.20613	1.1
99.00748	0.9
101.02323	16.6
104.08731	0.6
113.02321	8.2
115.03922	0.6
119.03407	4.8
125.02342	7.4
125.09616	2.3
127.03955	0.7
127.11190	3.0
133.04990	0.6
135.08020	0.6
143.03392	2.9
155.10722	1.4
161.04431	4.5
161.38181	0.7
163.11211	3.1
165.09128	1.7
165.12764	2.1
171.10233	2.8
179.05533	6.1
181.12242	0.9
183.10199	0.8
191.10623	0.9
199.09676	0.9
201.11259	75.6
202.11612	3.7
207.10234	0.8
209.11771	100.0
210.12143	5.1
210.93420	0.6
217.07092	0.8
221.06635	2.1
225.11247	1.4
226.11708	0.7
227.10779	0.8
227.12868	10.7
227.15083	0.7
228.13272	0.6
235.08156	7.1
243.12384	0.6
251.12885	0.7
253.09344	1.4
269.06525	0.8
277.21719	62.3
278.22083	5.9
280.56287	0.7
287.07654	1.9
293.21011	0.7
305.08899	2.9
307.17694	0.6
323.09781	1.4
358.22162	0.7
379.12469	10.0
380.12585	1.1
397.13522	54.7
398.13843	4.3
415.14618	15.3
416.14923	1.0
461.01990	0.7
461.32849	1.2
581.24548	3.3
589.24426	1.1
599.25409	3.2
600.25916	0.6
607.26514	1.4
657.34045	0.6
675.35663	3.3
773.06848	0.6
775.48816	0.7
776.25812	0.6
859.47131	0.8
903.48029	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	907.5271
Annotation	7(1)-Hydroxychlorophyll a
Peak:m/z	Relative Intensity
70.76233	5.1
70.76573	7.5
71.01249	21.5
71.23254	3.5
80.96385	4.6
84.76096	3.1
85.02813	5.5
87.00756	6.3
89.02324	8.3
97.02821	5.4
99.00748	12.0
100.41888	3.3
101.02320	15.0
113.02353	4.2
119.03413	4.3
125.09608	6.0
126.09971	3.5
139.96109	3.6
161.04395	3.4
163.11162	10.0
171.10156	6.0
181.12253	15.0
199.13313	8.2
207.10254	27.8
225.11275	42.2
240.89455	3.3
243.12375	9.2
283.26483	54.8
332.94229	3.0
397.13580	9.5
554.21014	3.4
596.87482	3.5
889.51898	10.3
890.52930	5.6
907.52844	100.0
908.53809	23.0
938.92798	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	909.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44712	5.3
69.45146	5.6
71.01257	2.5
75.00756	2.1
85.02849	2.1
87.00761	2.9
94.27254	1.7
95.01256	2.1
99.00756	2.3
108.02037	2.1
109.02842	3.2
111.28628	1.3
113.02325	5.1
116.58813	1.5
121.02864	3.3
122.03639	5.4
123.04417	13.6
125.02305	2.0
134.03645	8.0
135.04424	12.3
136.05188	4.1
137.05969	3.5
148.01578	4.6
149.02252	3.5
150.03157	3.0
151.02792	2.1
151.03902	15.0
159.04370	1.7
161.02341	9.0
162.03177	17.7
163.03938	17.2
164.04678	3.0
167.03400	2.2
175.03932	3.8
177.00659	1.4
178.02731	1.4
179.03415	2.5
181.05006	4.2
189.01837	4.0
190.02652	25.4
191.03436	25.2
192.03883	2.9
193.05020	13.5
203.03502	2.1
207.02924	1.6
208.03801	1.7
209.04495	11.8
220.03741	13.3
221.04536	13.8
232.03716	2.3
233.04768	1.4
239.05547	6.4
248.15343	1.4
249.06082	4.2
256.07373	2.0
267.07101	11.0
273.11240	3.4
299.09335	1.8
312.06332	1.5
317.33563	1.4
327.08719	16.1
329.10333	3.6
345.09799	100.0
346.10129	11.6
357.09814	5.8
374.14624	1.7
375.10825	36.5
376.11243	2.0
387.11075	2.5
443.11975	41.5
444.12170	3.3
447.12799	8.1
465.14090	85.4
466.14194	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	909.375
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03825	1.0
68.99693	4.2
70.02222	0.8
71.01254	16.1
71.42937	0.8
71.54314	1.0
72.99197	1.4
73.02817	4.6
75.00738	7.2
79.05387	4.0
83.01247	1.6
85.02823	10.7
87.00759	12.7
87.04391	1.3
88.98677	4.6
89.02310	1.8
91.05407	16.3
93.03329	3.7
95.01256	2.1
95.04902	10.4
96.95880	1.4
99.00777	6.3
101.02306	3.7
103.05412	9.3
105.03349	13.9
108.02067	4.2
111.00704	1.1
113.02337	6.5
113.63251	0.8
115.03878	1.6
117.03355	1.5
119.04922	17.4
120.05192	1.0
121.02853	15.2
122.03596	3.3
123.04382	1.6
126.77961	0.8
129.03355	4.7
130.04108	1.0
130.99757	3.0
131.03404	2.0
131.04871	0.8
132.48161	0.7
133.02823	2.8
134.03627	0.9
135.04402	2.5
135.12929	0.8
137.01378	1.3
137.02350	12.5
139.03873	4.6
143.03391	1.9
145.02835	9.1
145.04933	0.8
146.03633	7.2
147.04420	100.0
148.05237	18.4
149.05994	16.1
150.06363	1.1
151.03867	1.1
159.04430	1.6
161.05960	1.2
163.03889	2.8
164.04706	2.0
165.05556	1.1
171.10194	8.8
172.05191	1.9
173.02341	1.1
173.05934	1.2
174.03146	1.7
175.03889	1.6
175.07542	1.1
182.97487	1.0
183.13771	2.8
185.06015	1.7
187.07489	2.0
189.01929	1.0
191.03419	16.8
192.04211	9.2
193.04985	10.1
199.09802	0.8
201.05385	1.1
201.09073	1.4
207.02859	1.1
207.10144	2.0
209.11845	4.7
211.07629	0.8
211.13338	21.5
212.13585	1.6
213.05414	1.4
215.07004	2.1
216.07758	0.8
217.01376	9.6
218.02147	18.5
219.02832	3.3
224.09001	0.8
225.11205	0.9
229.08630	1.1
235.02391	3.6
235.07988	1.1
236.03090	1.2
253.09210	1.8
255.05038	1.8
257.15414	1.6
283.13449	0.9
297.14966	1.8
313.18115	3.1
315.15863	1.2
323.16501	1.2
331.19125	2.3
339.15970	1.2
341.17645	2.2
343.08163	1.2
357.17004	1.5
447.22452	1.6
453.33386	1.3
508.61331	1.0
547.46381	0.9
619.33453	0.9
765.10071	1.0
793.36639	1.3
819.34503	0.9
837.35590	9.4
838.36053	1.6
847.37421	1.3
891.38251	1.9
901.84174	1.0
909.37598	17.1
909.48474	25.7
910.38483	4.7
910.48627	3.4
936.05133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	1.0
67.64677	0.6
71.01257	1.5
76.18886	0.5
78.80889	0.6
83.01285	1.2
87.00752	1.4
89.02338	1.0
90.95103	0.5
93.03360	2.3
96.95898	2.6
99.00793	0.7
101.02338	0.7
107.01279	3.1
108.02055	1.1
109.02858	1.3
121.02811	1.4
133.02858	5.5
134.03683	0.7
134.88828	0.5
135.00822	0.6
135.04420	1.9
137.02350	3.1
142.06500	0.6
145.02867	1.1
147.04430	1.5
148.01620	1.3
149.02373	0.6
149.06000	0.6
151.00278	8.9
153.01865	1.6
157.59966	0.5
159.04419	1.4
161.02365	10.4
162.02924	0.9
163.00305	1.2
163.03979	0.8
164.01106	0.9
172.05150	0.9
174.03047	0.6
175.04030	0.9
178.99802	5.5
179.03439	0.7
185.06079	2.0
187.03835	0.7
187.07558	2.0
189.05463	1.0
190.02467	0.7
193.05011	0.6
196.05228	1.4
197.06049	0.9
198.06813	0.8
199.03931	1.3
199.07535	1.6
201.09270	0.6
204.07893	1.4
209.06055	1.7
211.04143	0.9
214.06310	2.4
215.10725	0.8
223.07632	3.8
225.09192	2.3
226.02670	1.5
227.03473	3.3
227.10768	1.3
243.03015	10.0
243.10266	8.6
244.03387	1.4
244.10574	0.7
245.11722	0.9
247.09689	0.6
254.02281	1.8
255.00258	0.9
255.02979	23.4
256.03357	2.6
271.02490	58.3
272.02902	5.6
284.03207	0.9
285.03967	0.8
287.09293	1.0
289.10699	0.7
299.02023	5.7
300.02768	100.0
301.03387	16.0
313.03339	1.3
331.08167	2.0
333.09888	2.7
343.08218	1.4
513.08881	0.9
515.08789	0.8
551.94202	0.7
741.06171	1.1
741.18781	14.5
742.19275	2.5
767.17554	0.9
903.21967	32.6
904.22778	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01803	0.3
69.03326	1.0
70.06232	1.8
71.01257	15.8
72.99185	1.4
73.02816	2.3
75.00724	0.6
76.82084	0.3
80.02553	1.7
81.03327	2.1
83.01264	1.3
83.04896	5.5
84.02038	0.8
85.02825	3.7
85.99969	0.4
87.00742	4.7
89.02317	12.2
95.01236	1.0
95.04913	0.9
96.95881	1.1
97.02825	2.5
98.20483	0.5
99.00758	1.1
101.02323	12.2
102.02648	0.4
109.02878	0.4
111.00768	0.5
111.04374	0.5
111.08049	0.4
113.02328	6.9
119.03383	3.1
119.04906	0.5
121.02808	0.6
123.04429	0.4
125.02338	5.0
125.05991	0.5
127.26846	0.3
129.41319	0.4
130.99847	0.4
131.03378	0.5
134.03607	0.4
135.08034	0.8
137.02342	0.6
138.09206	0.4
143.03415	2.3
147.04433	1.8
147.11731	0.5
148.05142	0.5
149.04494	0.5
149.05981	0.5
161.04440	3.0
163.11192	4.8
163.23814	0.4
165.12782	3.1
167.10741	0.5
171.10138	2.4
172.05209	0.4
175.03920	0.6
179.05548	4.0
179.14285	0.6
181.12239	1.3
183.13834	0.9
185.04442	0.4
185.11786	0.4
187.07483	0.4
191.10686	1.2
192.04256	0.4
193.04936	0.7
195.13821	5.1
196.14401	0.6
197.11772	1.0
199.13316	0.6
207.10216	0.4
209.11772	100.0
210.12112	5.8
211.13339	5.3
217.01541	0.4
217.07178	0.4
221.06631	1.8
223.13322	4.5
227.12848	13.2
228.13414	1.0
235.08188	5.5
235.17035	0.9
240.04213	0.4
253.09274	1.2
256.13135	0.6
257.04492	0.4
263.07678	0.6
263.20285	0.4
265.21768	0.5
275.20151	8.4
276.20554	0.6
287.07742	1.2
291.19669	1.2
293.21222	91.8
294.21570	8.8
300.02713	0.5
305.08719	1.6
309.20712	3.2
323.09695	0.7
343.08063	0.5
357.17041	0.5
377.56058	0.4
379.12408	3.5
397.13495	37.0
398.13855	2.7
415.14597	14.8
416.15015	1.3
485.32764	0.7
566.78003	0.5
607.25995	2.0
608.26678	0.5
653.25702	0.4
673.34296	0.6
691.35272	0.7
702.33667	0.4
832.40778	0.5
901.41229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26758	0.7
71.01253	2.3
71.43962	0.8
71.53984	1.0
73.03452	0.8
73.07830	0.9
87.00738	1.3
89.03840	1.1
93.03326	0.9
94.89214	0.7
99.00772	1.5
104.26471	0.8
111.00764	5.5
117.03298	1.3
119.03622	0.8
120.93343	0.8
121.02898	0.9
121.11610	0.8
127.77325	0.9
131.01292	0.8
133.02856	6.8
149.02298	2.5
159.04373	1.3
161.02353	43.3
162.02747	1.3
175.03830	0.9
177.01805	2.0
185.14270	0.8
187.00293	13.0
188.00659	0.9
189.01860	91.9
190.02188	4.8
191.05551	5.2
201.02037	1.1
205.01347	5.5
211.03796	1.1
217.01459	1.5
222.03081	1.1
227.03444	1.2
230.99385	1.6
231.02972	2.2
232.00006	1.2
233.00897	1.6
239.03488	1.3
240.04233	1.1
253.01463	1.1
255.03008	1.4
266.02078	1.5
267.03073	1.2
268.03729	1.2
269.00946	2.4
269.04657	1.1
274.68640	0.8
283.02353	2.5
284.03220	2.7
285.03961	1.3
294.01712	1.2
295.02411	1.4
296.03348	0.9
297.00458	1.1
299.05627	2.1
310.01099	1.4
311.01990	1.8
312.02682	5.1
313.03387	6.3
314.08124	1.3
327.05103	1.9
328.05679	2.4
330.05368	1.3
331.26025	0.8
335.05536	0.8
339.01529	4.0
342.07492	15.5
343.08249	9.1
354.04852	0.9
355.06180	1.0
357.07852	0.9
358.04617	2.2
358.47314	0.9
361.03568	1.1
369.03943	1.0
374.04071	0.9
385.03491	0.9
396.03387	0.9
397.03329	1.1
411.05124	1.9
412.01920	1.3
415.03918	0.9
425.03125	1.0
427.04636	1.9
429.06049	2.1
433.02332	1.8
439.04312	1.9
441.02390	1.6
444.94962	0.8
455.04138	4.2
456.04663	1.2
457.05728	2.4
463.06659	6.7
469.01807	1.4
470.06662	1.0
473.05066	2.8
474.06372	0.9
483.03537	20.2
484.03787	1.8
485.08936	1.0
487.10406	3.8
488.07141	1.2
498.05954	6.1
499.06436	2.0
501.04727	9.0
503.10107	5.0
505.10934	1.1
513.08270	29.9
514.08752	5.4
515.05951	1.0
516.07037	3.8
531.09332	100.0
532.09589	11.8
533.07855	1.2
557.07214	5.6
563.12061	1.3
573.10162	2.7
574.08667	1.0
575.08313	62.2
576.08575	10.7
705.81580	1.0
757.15948	1.4
807.17169	1.2
825.18878	24.6
826.19434	3.7
851.16205	6.9
852.17798	1.8
869.17786	61.3
870.18188	14.3
901.25116	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	902.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98389	10.8
67.29160	4.2
71.00937	5.1
71.01301	48.7
71.01672	11.3
72.99168	5.6
73.02827	7.0
80.02557	4.7
80.96388	7.5
83.01303	5.6
83.04860	9.4
85.02836	12.2
87.00753	13.0
89.02316	30.5
95.74969	4.7
97.02838	8.1
101.02318	29.7
113.02338	18.6
116.92758	6.8
119.03362	5.8
125.02380	9.2
125.09624	4.6
127.11159	5.9
137.33511	4.8
163.11185	6.7
169.37473	5.1
171.10199	36.1
172.10446	9.2
176.03831	4.9
179.05513	10.8
199.13393	5.7
201.09540	3.1
201.11247	87.5
207.10098	14.9
209.11755	100.0
225.11345	21.4
226.11600	5.2
227.12793	14.1
235.08138	7.8
253.09258	6.2
277.21701	89.1
278.22058	16.7
293.21213	11.1
300.33365	4.9
339.49408	4.4
355.80429	5.4
379.12341	16.9
397.13486	67.0
398.13760	13.9
415.14600	16.3
451.17450	4.7
505.98706	4.9
579.02234	6.1
675.77625	5.9
902.45813	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	899.465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.4
69.03336	3.9
71.01254	15.5
71.04877	1.2
72.99169	1.5
73.02809	2.4
74.48434	0.4
80.96392	0.5
83.01251	1.8
85.02811	3.7
86.88131	0.4
87.00753	3.2
89.01772	0.4
89.02316	8.8
95.01267	1.4
95.04905	0.5
97.02818	2.4
97.06446	0.9
98.19749	0.8
98.48317	0.4
98.58722	0.5
99.00740	1.3
101.02320	10.1
109.06497	0.6
111.04411	0.6
113.02354	3.9
113.96790	0.4
119.03408	1.7
121.02852	0.5
123.08053	1.3
125.02332	1.7
125.09595	1.7
143.03392	0.8
149.09616	0.7
151.11197	2.2
153.12798	0.9
161.04431	1.3
161.09642	3.0
162.67897	0.5
165.03488	0.4
169.12262	1.9
179.05547	0.6
179.10707	5.2
197.11765	36.5
198.12090	1.4
207.10229	0.6
209.11792	0.6
211.13364	2.5
213.14923	1.0
221.06618	1.0
223.09732	0.9
235.06061	0.4
235.08142	1.1
241.10783	1.7
241.14417	1.5
253.09152	0.6
277.21729	38.1
277.99976	0.5
278.22073	3.8
293.21109	0.7
310.21094	0.8
316.89749	0.4
397.13434	3.8
415.14767	0.9
471.14050	0.5
621.23877	0.8
639.25226	0.7
737.45251	0.7
899.46484	100.0
900.46826	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94010	8.4
70.51479	12.5
70.51852	14.8
71.01255	32.3
73.02827	9.1
80.96396	22.7
85.02831	21.4
87.00762	11.6
89.02309	26.6
94.65562	7.4
100.41632	9.1
101.02326	30.1
108.70663	7.5
113.02317	14.4
161.04515	11.3
166.26520	8.8
171.10175	27.5
185.92302	8.5
186.81558	8.6
195.10315	11.8
197.11801	8.8
205.08609	14.1
207.10213	12.5
209.11835	22.3
211.13379	22.2
223.09749	17.6
223.13496	7.9
235.08226	15.4
241.10823	24.0
253.09253	32.5
261.69986	7.7
277.21759	35.4
289.18127	8.7
293.21198	100.0
294.21463	9.5
299.43753	7.4
309.20593	14.1
327.21786	64.8
397.13474	26.7
415.14774	14.8
563.30688	12.6
800.61047	8.4
881.44861	8.9
899.45416	42.7
900.46814	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	900.497
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98405	13.9
63.89845	7.8
63.99132	9.3
71.01270	41.5
78.95789	8.4
79.95588	9.8
80.96396	15.7
83.01257	8.8
85.02793	8.7
87.00769	13.6
89.02312	29.4
101.02318	22.4
113.02325	15.0
115.24652	7.4
116.92753	23.5
125.02320	8.8
171.10197	66.6
195.47430	8.3
199.13275	14.7
207.10229	12.8
211.13394	12.0
225.11324	34.9
229.95132	10.5
243.12320	7.9
253.09341	9.4
277.21707	100.0
278.22079	15.9
281.53217	7.0
293.21219	13.0
379.12457	18.0
397.13367	48.3
415.14651	11.0
900.46173	42.3
901.46820	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11883	1.1
69.14829	1.0
71.01246	2.5
71.09423	2.4
73.02775	1.5
84.44514	1.1
85.02830	1.6
87.00719	2.6
89.02274	2.1
89.03813	1.5
93.03317	1.7
99.21210	1.1
109.02846	1.8
111.00759	3.3
133.02861	7.1
134.03606	2.5
137.02327	1.2
145.02852	1.5
147.04370	1.3
149.02342	2.5
151.03891	2.0
153.01762	1.8
159.04414	1.4
161.02354	45.6
163.03943	2.1
165.87582	1.2
176.01180	1.4
177.01854	2.5
187.00305	15.0
189.01859	90.0
190.02216	4.3
191.03467	1.4
191.05515	2.9
193.05003	2.4
202.99857	1.3
205.01335	5.0
206.01781	1.4
214.31172	1.2
231.02975	2.0
233.00856	1.8
241.01434	1.5
267.02963	2.4
268.03711	1.9
283.02420	2.1
284.03299	3.2
299.05515	1.8
310.01233	2.6
311.01871	2.7
312.02722	4.8
313.03418	6.2
323.01974	2.3
327.04971	2.2
328.05820	1.7
339.01398	4.8
342.07364	15.0
343.08261	9.4
411.05081	2.0
414.03922	1.8
427.04224	1.3
429.06290	1.7
433.02045	1.5
439.04324	2.0
455.04071	9.9
457.05515	2.9
463.06665	4.0
469.01837	2.2
473.05237	3.7
483.03494	24.2
484.04059	3.3
487.10547	3.4
488.07486	1.5
498.05960	7.2
499.06479	2.2
501.04401	9.2
503.09839	3.7
513.08282	35.6
514.08612	6.0
516.07056	3.6
531.09326	100.0
532.09564	13.4
545.03363	1.3
557.07074	4.9
573.10431	2.8
575.08319	62.1
576.08807	9.2
757.16425	2.1
807.17810	2.0
825.19012	22.1
826.19336	4.9
851.16583	8.3
869.17786	53.1
870.18579	14.1
894.67157	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	901.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78779	1.5
71.01273	1.8
71.02628	3.1
71.02971	1.4
77.49892	1.3
81.57621	1.5
81.98882	1.2
85.79055	1.1
89.19444	1.3
99.00790	1.4
103.58824	1.4
111.00764	4.4
133.02898	7.0
145.59314	1.5
149.02321	3.8
153.13383	1.3
159.00729	2.0
159.04475	1.7
161.01071	2.7
161.02357	44.7
163.00253	1.4
173.02371	1.7
187.00328	12.0
189.01857	86.4
190.02188	4.5
191.05566	2.1
205.01346	4.0
211.03903	1.8
217.69901	1.5
221.04565	1.5
231.03041	1.7
239.03339	1.6
255.02969	1.8
256.03662	1.8
284.03250	3.2
291.89917	1.6
296.03357	2.5
297.00409	2.2
299.05518	2.3
310.01193	2.3
311.01855	2.5
312.02753	3.2
313.03418	6.3
327.05109	1.7
328.06027	2.3
339.01413	4.4
342.07602	12.3
343.08221	8.1
357.03891	1.7
383.05768	1.5
386.04111	1.6
409.33557	1.5
411.05154	2.9
413.02808	1.6
427.04919	2.2
455.03983	4.8
456.04465	2.2
463.06616	5.2
473.04938	3.2
483.03461	12.4
484.04144	2.4
487.10516	2.8
498.05804	4.6
499.06729	1.8
501.04373	8.8
503.09424	7.4
513.08221	21.8
514.08752	3.2
516.07178	2.0
518.48645	1.6
531.09357	100.0
532.09729	11.9
541.90033	1.5
557.07404	4.7
575.08270	62.2
576.08551	8.5
657.01849	1.5
747.42908	1.5
807.17822	2.9
825.18707	23.1
826.19537	2.1
851.16785	6.1
869.17749	65.3
870.18542	11.4
901.20685	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	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.7
71.01255	25.6
71.04886	2.1
71.53252	0.7
72.99172	2.1
73.02827	3.3
75.00793	0.5
79.95604	0.8
80.96397	1.9
81.03323	1.1
83.01259	1.7
83.04887	1.1
85.02825	4.9
87.00750	4.8
89.01769	0.6
89.02321	11.5
93.03350	0.5
94.26865	0.5
95.01268	1.7
95.04903	1.3
97.02829	6.7
97.06462	1.8
99.00761	12.2
101.02328	11.9
109.06475	1.5
110.03673	0.5
111.00742	0.9
111.04423	0.5
113.02341	5.2
116.92741	3.0
119.03403	3.2
123.07991	1.0
125.02344	3.9
125.09607	5.4
127.03902	0.6
127.11185	1.8
129.01865	0.6
131.03363	0.6
135.08028	1.0
137.51244	0.5
141.01726	0.7
142.02592	1.6
143.03427	1.6
161.04477	2.3
161.09650	0.9
163.11201	8.3
164.11542	0.5
171.10196	9.2
172.10548	0.7
179.05566	2.6
179.10643	0.9
181.12267	13.9
182.12599	0.8
189.09187	0.7
195.13922	0.6
197.11780	2.1
199.13332	13.8
200.13632	0.9
201.11256	4.6
207.10216	34.2
208.10484	1.9
209.11684	0.6
211.13341	0.8
215.12895	0.8
218.81273	0.6
221.06586	4.1
225.00685	0.6
225.11276	54.4
226.11674	3.2
235.08202	3.6
243.12363	16.6
244.12666	0.7
253.09383	0.9
263.07950	0.6
277.21729	32.8
278.22052	2.7
317.16006	1.0
379.12418	2.2
393.77838	0.6
397.13522	12.1
398.13943	1.1
415.14600	2.9
416.15042	0.5
439.14447	0.6
461.20099	0.6
605.24719	3.6
623.25464	6.5
641.26178	0.9
675.35834	0.7
883.46814	13.2
884.47015	2.3
901.47968	100.0
902.48285	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	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28889	0.9
69.03322	2.0
71.01257	22.0
71.52943	1.3
72.99203	1.2
73.02795	2.3
79.95621	4.6
80.96401	1.1
83.01241	2.1
85.02840	4.8
87.00753	5.4
87.50819	0.9
89.02325	13.6
95.01260	1.5
97.02825	3.3
99.00768	1.2
101.02322	13.7
111.00723	1.2
111.04353	1.0
111.08021	1.2
113.02321	6.8
113.18509	0.9
116.92698	1.2
119.03400	3.2
121.02847	0.9
125.02330	3.9
143.03418	1.7
147.04462	1.2
153.12794	3.4
161.04372	1.4
165.12798	5.9
171.10190	2.1
179.05568	2.1
183.13834	62.0
184.14146	2.9
195.13879	5.2
197.11736	3.8
207.10098	1.3
209.11800	9.2
211.13278	4.8
221.06602	2.2
223.13310	2.6
225.11263	2.1
227.12865	5.1
235.08173	2.0
235.16957	0.9
235.19449	0.9
275.20087	3.1
277.21909	1.0
291.19727	1.2
293.21262	22.9
294.21588	2.1
309.20383	2.1
397.13492	11.5
415.14545	3.7
455.33679	1.0
607.26074	1.5
625.27411	2.8
901.47955	100.0
902.48199	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98409	1.2
69.03308	1.8
71.01255	19.5
71.04897	2.1
71.52674	1.2
72.99184	2.3
73.02816	3.1
80.96377	2.7
83.01278	1.2
85.02811	4.4
87.00747	4.0
89.02323	9.4
95.01264	1.9
95.04888	1.0
97.02821	4.9
97.06475	2.7
99.00744	11.6
101.02329	12.9
109.06483	2.2
113.02317	5.8
113.32486	1.0
119.03399	3.0
119.85120	0.9
123.08018	2.1
125.02319	4.9
125.09603	4.4
127.11147	1.6
135.08086	1.0
142.02603	0.9
143.03384	1.7
155.10851	0.9
161.04427	2.3
161.09612	1.5
163.11238	6.5
171.10179	9.0
179.05527	1.7
181.12260	11.3
197.11812	2.0
199.13313	8.8
201.11249	3.9
207.10205	27.2
221.06696	2.1
225.11284	39.7
226.11601	1.3
235.08151	3.1
243.12341	10.8
277.21722	45.1
278.22025	2.6
309.14050	0.8
367.57510	0.8
379.12485	1.9
397.13528	12.0
415.14560	2.5
533.43573	1.0
571.85004	1.0
605.24323	3.3
623.25159	1.6
641.27209	0.8
755.69720	0.9
883.47021	12.7
884.47498	2.4
901.47919	100.0
902.48175	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	901.2416
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02267	1.1
65.00187	1.3
65.86478	0.6
66.15133	0.5
67.85008	0.6
70.68207	0.5
70.74330	0.5
73.88799	0.5
77.26042	0.5
83.01264	1.3
84.14860	0.5
85.02776	0.5
87.00759	0.7
93.03352	0.9
98.20570	1.3
107.01304	3.4
107.03672	0.5
117.03367	2.1
121.02853	1.1
122.53880	0.6
123.04474	0.7
124.46469	0.6
131.78435	0.5
132.02097	5.3
133.02852	2.2
134.03613	5.1
135.00786	1.4
135.04424	1.5
137.02460	0.7
143.04935	0.6
145.02873	2.7
148.67415	0.5
149.06012	1.2
151.00285	6.4
159.04480	1.0
160.01575	11.3
161.02359	5.8
163.00313	1.3
164.01025	0.6
165.05446	0.9
169.01460	0.7
171.04390	0.7
175.03952	7.0
178.99788	1.6
183.04456	2.0
185.05992	0.8
187.03969	1.3
193.05048	3.0
199.03908	1.1
211.03976	2.5
213.05473	1.3
227.03467	48.4
228.03876	3.0
229.05075	4.1
239.03471	1.7
241.05023	0.9
243.03014	0.8
243.10341	0.8
255.02986	92.7
256.03534	11.4
257.04578	3.5
271.02469	0.7
283.02454	5.9
284.03271	100.0
285.03983	30.5
286.04343	1.6
298.04865	1.7
299.02063	1.1
299.05533	2.6
300.02744	1.3
327.05048	0.9
351.10889	0.8
467.09763	0.6
586.67725	0.6
659.54602	0.6
707.18427	13.9
708.18506	2.5
725.19281	12.3
726.19635	2.2
739.21320	2.9
755.20233	0.7
901.24097	44.6
902.24408	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	899.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	2.4
71.54433	2.5
73.02839	1.9
85.02819	4.4
87.00769	6.7
89.02328	2.1
91.01779	2.9
96.95901	2.3
97.06483	2.7
101.02342	3.3
108.02053	10.7
109.02826	13.1
113.02350	2.0
119.04922	3.6
121.02857	8.6
122.03633	4.8
123.04414	9.5
131.04959	2.2
134.03702	2.1
137.02356	2.6
143.04919	2.0
145.02936	2.8
146.03633	7.1
147.04419	16.4
149.06064	2.7
158.03604	1.7
159.04427	100.0
159.55806	1.8
160.05223	20.5
161.02315	3.1
161.04665	3.3
161.05972	23.2
163.03911	10.0
166.05051	2.5
171.04338	2.3
172.05190	3.4
173.02415	5.6
173.04585	3.7
173.06000	41.7
173.07445	1.4
174.06223	2.2
175.03963	4.1
187.03966	7.0
191.03442	6.5
193.04939	3.2
199.03972	6.2
203.03397	5.3
204.04271	5.0
213.05499	2.3
217.01404	3.7
219.06622	2.0
224.04747	3.1
239.07115	5.5
241.05009	12.3
245.11597	1.8
249.05444	2.5
251.07150	4.2
252.04074	3.3
253.05058	6.1
253.08675	2.4
254.05865	3.9
261.05511	5.4
262.06320	2.8
263.07141	3.2
264.07813	2.6
265.05069	5.4
266.05783	8.0
267.06625	27.3
268.07037	4.7
269.08124	5.6
271.02325	3.0
277.05054	5.0
278.05872	4.8
279.06616	18.5
280.07343	10.6
281.08215	18.5
282.05780	3.9
282.08969	56.4
283.09326	4.3
289.05112	3.4
290.05774	2.2
291.06473	3.1
292.03854	2.2
292.07318	2.3
293.04593	3.2
295.06259	3.4
295.09766	9.3
297.11292	63.0
298.11639	4.2
299.01953	3.9
305.04449	1.9
306.05316	6.5
307.06076	36.8
308.06839	39.9
309.07346	3.6
313.07208	3.6
321.07660	16.1
323.09207	65.3
324.09616	6.0
329.06729	6.0
341.10355	31.8
342.10699	4.8
349.07126	5.7
351.10864	27.0
352.06238	2.3
352.11310	2.0
367.08258	30.0
368.08276	3.9
378.26370	2.0
385.09412	8.9
393.06177	22.9
394.06400	2.7
409.28143	1.9
443.15222	2.5
559.92676	2.4
569.19061	3.7
767.25891	6.6
811.24182	14.6
812.25226	4.9
813.22644	11.6
814.23175	3.3
837.22522	35.0
838.23151	6.7
855.23444	41.8
856.23114	10.1
899.23755	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	899.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	3.9
70.40033	1.7
71.01260	13.8
71.04885	2.1
72.99174	1.8
73.02822	2.7
79.95584	0.5
80.96412	0.9
81.03331	0.5
83.01254	1.4
83.04884	0.8
85.02834	3.8
87.00767	2.8
89.02319	8.2
95.01261	0.9
97.02810	1.7
97.06477	0.9
99.00771	1.6
101.02325	10.6
111.04400	1.0
113.02318	3.7
119.03374	1.9
122.26653	0.5
123.08016	1.1
125.02314	1.9
125.09615	1.9
143.03394	0.8
151.11191	2.2
153.12750	1.5
161.04424	1.3
161.09679	2.9
171.10455	0.5
179.05473	0.7
179.10701	3.9
195.10094	0.6
197.11772	57.4
198.12117	2.5
211.13354	1.3
221.06668	2.5
221.11839	0.7
222.12170	0.7
223.09714	1.6
241.10797	3.8
241.14474	0.8
253.09058	0.6
267.42526	0.5
277.21741	20.1
278.22034	2.1
287.24915	0.5
293.21301	0.6
295.22702	0.6
306.69183	0.5
309.20532	0.9
397.13556	3.4
415.14490	0.9
494.07654	0.6
639.25031	0.9
808.88458	0.6
881.45856	1.1
882.45856	0.6
899.46478	100.0
900.46851	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98401	1.9
69.03313	3.5
71.01245	9.9
71.53727	2.1
73.02850	1.6
75.00761	3.9
80.96426	2.0
83.04895	2.4
85.02817	3.9
87.00767	5.7
89.02340	4.9
96.95879	1.9
97.02815	5.6
97.06507	1.7
99.00768	3.5
101.02341	5.5
101.28378	1.8
109.06453	2.1
111.08021	2.7
112.98680	5.5
113.02309	4.9
124.98692	3.9
135.48396	1.8
137.09595	2.1
161.04442	2.9
163.11226	1.9
165.12775	3.7
169.12320	2.2
171.10193	5.9
173.00768	2.7
197.11772	15.7
209.11760	17.2
211.13371	8.8
215.10941	1.9
221.11754	7.2
223.13383	2.1
227.12819	3.2
235.08205	5.4
239.12808	2.3
247.20757	1.9
253.09285	19.9
277.21753	12.7
278.22040	3.2
291.16348	2.5
291.19666	44.6
292.19955	2.8
293.21341	1.8
309.20731	100.0
310.21161	10.1
397.13550	3.6
418.28995	1.8
527.29364	2.9
533.66339	2.0
545.29700	8.4
867.43896	2.7
897.46600	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	897.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98135	2.7
67.39646	2.7
71.01253	3.9
74.40102	3.2
78.95781	3.9
88.98666	21.8
89.02316	8.7
97.06466	6.8
101.02317	5.4
143.03329	2.9
171.10210	7.9
187.02876	3.4
193.12309	11.2
211.13408	5.3
225.14919	18.5
235.08195	8.6
239.16342	4.2
243.15936	5.9
253.09253	20.0
277.21713	80.9
278.22052	3.7
281.54675	3.3
341.23294	100.0
345.20953	3.2
559.31726	2.8
577.32507	4.4
601.44818	6.8
731.67053	3.6
897.48975	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	898.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10458	12.4
71.01263	85.2
71.08374	22.2
72.90368	9.9
72.99184	10.6
75.00745	100.0
78.95797	13.6
80.96390	12.1
83.01279	11.5
85.14153	10.2
87.00756	12.2
87.07723	11.8
89.02306	32.6
99.77966	9.7
101.02354	19.4
106.93378	8.8
113.02328	20.0
114.62926	9.7
116.09928	10.9
119.03397	11.4
120.99937	12.3
132.78275	11.8
152.99513	11.2
171.10251	39.4
195.35069	11.0
201.11142	11.7
207.10226	23.0
208.10774	10.8
209.11769	22.1
214.09854	10.6
219.43927	9.9
221.11841	30.2
225.11351	14.0
239.12930	12.2
240.13213	14.8
248.58025	10.8
255.23215	27.6
256.23676	19.7
277.21851	32.5
278.22125	17.4
293.21198	12.7
309.20694	10.8
326.50327	11.1
348.78778	10.6
397.13541	35.1
398.13995	16.6
415.14441	12.3
497.84280	11.5
588.65015	10.6
613.01306	10.5
661.07239	11.1
898.48871	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	38.6
71.44881	29.9
75.00761	19.6
85.02816	19.7
101.02328	26.3
126.37830	17.4
198.12148	20.4
198.64891	19.7
207.10318	31.4
209.11778	20.7
211.13390	24.5
221.11757	45.5
225.11205	22.8
239.13055	24.1
253.09187	24.0
277.21725	100.0
278.22104	23.8
293.21100	44.5
393.30374	19.7
397.13538	42.9
415.14261	23.3
876.18561	21.7
898.48236	31.5
899.45477	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	895.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03867	1.1
68.99698	3.8
69.03337	1.9
71.01257	44.5
72.01541	1.2
72.99196	4.2
73.02819	12.4
75.00745	16.9
78.72421	1.1
78.95786	1.6
83.01261	4.2
85.02824	24.1
85.99995	2.9
87.00748	25.9
87.01276	1.8
87.04388	3.8
88.98662	1.3
89.02304	7.4
91.05431	3.8
93.03351	3.4
95.01284	4.5
95.04910	3.3
96.95876	2.6
97.06579	1.2
99.00768	15.9
101.02337	6.9
103.03910	1.6
103.05435	2.7
105.03343	4.1
108.01991	1.4
109.02850	1.7
111.00774	1.7
113.02328	12.3
115.03869	2.5
119.04910	5.8
121.02846	8.4
122.03615	2.6
125.02360	1.7
129.03371	1.5
130.99771	4.1
131.03436	8.9
133.02855	1.6
134.03636	1.4
137.02361	10.7
138.02678	1.5
139.03931	2.1
143.03387	3.9
145.02844	2.5
146.03615	5.1
147.04431	37.9
148.05151	12.8
149.02335	1.8
149.05930	2.1
159.04445	1.2
162.07919	1.1
163.03909	2.9
163.06044	1.6
164.04620	2.4
165.12750	1.2
171.10284	1.3
173.06094	1.8
183.13846	5.5
184.14227	1.6
191.03383	2.7
192.04172	7.2
193.04736	3.4
197.11720	1.6
202.98199	1.2
205.07156	3.3
207.02829	2.5
209.11792	6.5
210.12192	2.0
211.13351	17.2
212.13725	2.6
217.01341	3.8
218.02199	7.5
219.02539	3.4
236.03273	1.9
297.15005	1.8
313.03851	1.7
343.08148	2.5
439.35864	2.6
447.16479	2.1
470.74591	1.2
591.26776	1.3
833.39069	2.7
859.38464	1.5
877.38373	4.0
895.52069	100.0
896.51953	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30560	0.4
67.01741	0.6
67.02547	0.4
68.99677	2.1
69.03310	0.7
71.01253	35.0
71.53839	0.6
72.99185	3.2
73.02818	8.7
75.00744	14.8
83.01261	4.9
85.02821	24.5
85.99966	1.7
87.00745	13.4
87.04404	2.4
89.02321	3.5
91.05382	1.1
93.03366	0.5
95.01258	3.7
95.04885	0.6
97.02824	0.8
99.00755	14.5
99.04388	0.8
101.02325	4.6
103.03904	1.4
103.05403	0.5
105.03314	1.1
108.02063	0.4
109.02844	0.6
111.00754	0.6
112.01547	0.6
113.02331	11.1
115.00251	0.6
115.03873	2.6
119.03390	0.6
119.04893	1.2
121.02831	1.1
122.03640	0.6
125.02312	1.0
130.99706	0.7
131.03395	8.2
133.02800	0.7
134.03667	0.8
137.02341	4.2
138.02632	0.7
139.00247	0.8
139.03896	1.4
143.03416	5.7
145.02823	0.7
145.04964	0.8
146.03622	0.6
147.04425	10.7
148.05194	3.7
149.05954	0.6
157.01320	0.7
157.06407	0.4
161.02312	0.6
163.03961	0.8
163.05997	1.3
165.05423	0.5
175.03975	0.5
183.13824	0.8
191.03397	0.6
192.04254	2.8
193.04836	1.0
201.09103	0.5
205.07063	3.5
209.11786	0.6
210.12262	0.4
211.13373	2.5
212.13785	0.6
214.06099	0.5
218.02135	1.5
219.02721	0.6
236.03215	0.9
253.09273	0.4
297.14944	0.5
334.65381	0.4
339.16003	0.7
343.08243	1.0
432.86542	0.4
439.35922	3.0
456.29001	0.5
509.40094	2.0
599.40424	0.7
620.67957	0.5
705.42633	0.7
849.76282	0.5
877.50140	1.3
878.37463	0.5
895.50897	100.0
896.51166	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79839	1.7
69.41517	11.8
71.01256	48.4
72.99196	3.5
73.02823	8.6
75.00777	3.0
75.24371	1.6
83.01250	11.0
85.02825	13.9
87.00754	63.0
89.02321	32.2
95.01281	4.8
97.02838	3.0
98.36086	1.4
99.00758	3.4
101.02328	29.0
113.02337	31.1
115.03899	1.8
119.03406	9.1
121.10094	3.4
125.02357	2.6
129.01817	3.7
131.03413	3.2
139.29245	1.5
141.01813	2.9
143.03419	7.9
147.04439	1.8
161.04491	16.5
171.10176	7.1
179.05533	14.7
225.82413	1.5
260.32550	1.6
273.22269	3.7
275.20175	7.6
277.21732	100.0
278.22116	11.1
289.18073	2.0
291.20175	3.3
291.23349	22.6
292.23663	3.0
293.21246	11.0
294.51108	1.8
301.21710	2.8
309.20709	2.5
319.22781	16.8
320.23221	2.4
323.09808	49.2
324.10266	3.9
331.22736	2.2
331.95258	1.5
341.10864	97.3
342.11182	6.8
349.23709	2.2
552.74908	1.6
601.32404	26.0
602.32568	5.6
608.44269	1.8
692.64001	1.9
723.13898	1.7
766.50769	1.7
852.01813	2.0
895.50134	7.9
896.51825	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	897.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02250	1.9
63.96287	1.5
83.01262	2.6
93.03333	3.8
102.84447	1.7
107.01282	4.0
121.02855	2.9
134.02606	1.5
134.03651	4.1
151.00276	10.9
172.64937	1.6
178.99789	6.3
193.05013	4.0
209.69142	1.7
227.03474	3.5
243.02888	8.6
244.03368	1.8
255.02997	27.6
256.03217	2.6
271.02490	70.6
271.05417	3.6
272.02939	6.1
299.01978	6.2
300.02710	100.0
301.03366	20.2
307.00934	1.7
325.18338	1.8
427.66913	1.6
723.17609	7.5
741.18732	50.3
742.19232	8.4
879.21375	4.3
897.22937	20.5
898.22296	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	897.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	24.7
71.53122	1.8
72.88025	1.0
72.99174	3.2
73.02815	3.3
75.00745	38.5
78.95770	2.8
79.95654	1.3
81.03311	3.0
83.01273	2.4
83.04924	2.3
85.02831	7.9
85.03274	1.4
87.00743	5.7
89.02324	16.1
95.04905	1.6
97.02830	4.6
97.06435	1.3
101.02315	14.6
109.06506	1.9
113.02332	10.2
119.03360	3.4
125.02351	3.9
143.03418	2.0
149.43524	1.3
159.11633	1.5
161.04300	1.6
171.10164	3.0
177.12834	7.2
179.05534	2.9
186.79529	1.3
195.13832	56.2
196.14154	3.2
211.13400	2.3
216.03645	1.3
221.06622	3.6
221.11780	28.9
222.12135	1.5
235.08188	2.8
239.12828	22.7
253.09378	2.7
255.23312	4.4
277.21722	35.9
278.22061	2.9
379.12640	1.6
397.13544	19.4
415.14694	5.5
448.24908	1.6
554.33240	1.5
619.26312	2.6
637.26630	2.3
640.13519	1.3
897.48639	100.0
898.48865	22.5
905.42865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99665	0.3
69.03310	3.3
69.80751	1.6
71.01254	15.4
71.04903	0.7
72.99179	1.1
73.02826	2.5
75.00764	0.3
81.03323	0.7
83.01241	1.8
83.04895	0.6
85.02826	3.6
85.06466	0.5
87.00751	3.2
89.02316	14.0
93.03342	0.5
93.50583	0.3
95.01258	1.4
97.02828	2.4
97.06520	0.3
98.20440	0.5
99.00774	1.2
101.02322	10.9
109.02856	0.3
109.06450	0.6
111.08003	0.4
113.02327	6.5
115.03822	0.3
119.03402	3.6
125.02340	3.9
131.03455	0.4
136.25644	0.3
139.03941	0.5
141.09131	0.3
143.03412	1.9
149.09639	0.8
161.04465	2.6
161.13290	0.5
167.03287	0.3
167.10670	2.7
171.10287	0.5
177.12697	0.9
179.05525	4.0
179.10699	1.1
179.14333	3.5
195.13837	15.6
196.14275	0.9
199.17590	0.3
205.12277	7.6
207.38525	0.3
211.13370	0.8
217.07164	0.4
220.48810	0.3
221.06589	1.6
223.13347	70.5
224.13661	4.3
225.14938	0.7
228.13518	0.5
235.08182	3.9
253.09261	0.8
256.13116	1.0
263.07721	0.5
265.14441	0.3
275.20135	5.1
276.20319	0.4
287.07700	1.2
293.21213	100.0
294.21524	7.8
305.08765	1.5
317.21051	0.6
323.09778	0.8
335.22430	0.3
369.77823	0.3
379.12509	2.8
397.13483	35.0
398.13791	2.3
415.14569	12.9
416.14917	1.0
499.34186	0.8
541.43219	0.3
603.26422	3.4
604.26758	0.5
621.27655	8.9
622.27814	1.1
654.27655	0.3
673.34790	1.5
691.35358	2.5
897.48187	1.1
898.48907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	1.6
69.03321	1.7
69.62534	1.7
71.01257	100.0
71.53638	2.3
72.99184	9.3
73.02823	5.5
75.00751	5.4
78.95773	10.5
80.96392	2.1
81.03339	1.7
83.04891	2.4
85.02802	6.7
87.00748	8.5
89.02315	20.3
95.01299	2.4
96.56454	1.5
97.02820	5.5
99.00745	4.7
101.02332	19.4
109.06470	7.0
111.04415	2.4
113.02348	11.8
119.03387	7.7
123.04443	1.9
125.02322	6.8
125.09586	2.5
127.11176	2.9
139.37183	1.6
141.01642	2.5
143.03397	2.8
143.47479	1.7
145.30779	1.7
152.99532	3.3
161.04420	3.8
163.11177	5.0
171.10179	49.5
172.10555	3.0
179.05539	4.5
181.12291	1.9
185.79115	1.5
199.09694	11.7
199.13370	1.9
201.11269	16.3
207.10216	18.8
208.10432	1.9
209.11801	5.1
225.11249	14.7
235.08156	6.7
241.01080	2.8
243.12471	2.5
253.09224	2.5
255.23283	81.5
256.23627	5.3
277.21695	5.0
279.23309	3.0
305.08545	2.8
379.12341	5.2
397.13464	40.4
398.13898	4.2
415.14441	12.2
552.57605	2.0
555.28809	1.8
623.25958	2.0
835.46552	4.7
861.48743	11.6
862.48328	3.5
897.50342	35.9
898.50830	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	897.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01787	1.3
68.99670	1.6
69.03318	3.5
71.01257	100.0
71.53335	1.3
72.01607	1.8
72.99178	4.7
73.02819	6.5
75.00750	64.3
78.95776	1.8
81.03336	5.1
83.01270	4.2
83.04903	7.3
85.02827	16.4
87.00745	8.4
89.02322	25.1
95.01244	3.5
95.04903	1.7
97.02832	8.6
99.00771	4.2
101.02333	28.0
103.76189	1.1
108.03172	1.1
108.58836	1.4
109.02926	1.2
109.06493	9.0
110.03654	1.1
111.00743	1.8
111.04391	1.4
113.02345	15.9
116.58001	1.1
118.00850	1.3
119.03415	8.4
123.08015	1.6
125.02343	11.0
125.09600	3.0
127.11185	1.6
137.02348	1.3
142.02586	1.4
143.03436	4.5
149.04486	1.4
155.10698	1.9
161.04465	6.3
163.11212	2.7
166.95956	1.1
171.10187	43.0
172.10541	2.4
177.12752	8.0
179.05447	6.8
181.12239	1.9
185.04489	1.4
195.13828	4.5
199.09703	11.0
201.11273	9.7
203.10736	1.3
207.10202	16.6
209.11613	1.3
221.06940	2.4
221.11792	72.0
222.12154	5.0
225.11310	9.1
225.21573	1.5
235.08237	8.4
239.12869	38.9
240.13226	2.7
243.12267	2.0
253.09283	2.5
255.23280	59.2
256.23596	4.7
257.14005	1.3
263.07660	1.9
269.24762	1.8
277.21729	43.4
278.22092	4.2
279.22980	1.3
287.07751	3.1
293.21210	1.9
305.08865	3.0
335.14120	1.2
335.77209	1.2
344.38940	1.1
379.12473	9.3
394.64697	1.0
397.13525	61.2
398.14053	5.6
415.14603	13.3
529.13208	1.3
619.26245	6.4
637.27313	8.8
835.46826	2.0
861.48120	8.3
862.49194	4.8
879.48682	2.1
897.49207	26.6
898.49951	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	895.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34523	2.0
63.99066	2.2
69.03327	1.9
71.01259	14.5
71.53318	2.0
71.53709	2.9
81.03335	2.4
81.64646	1.9
83.01255	2.9
83.04893	2.7
85.02793	2.0
87.00746	6.3
89.02328	9.3
95.04894	3.4
97.02829	5.8
97.06450	6.2
101.02327	9.6
103.23695	2.2
109.06514	2.9
111.08058	13.2
113.02317	4.2
121.06390	2.2
123.04452	4.8
125.09608	9.6
137.09669	4.2
141.12854	2.2
143.03481	2.0
146.12529	2.1
151.11241	2.1
160.46593	2.0
161.04428	5.3
163.11165	9.3
165.12788	4.8
169.12311	2.5
171.10245	5.3
181.12262	3.0
185.11780	8.7
191.14346	11.3
197.11758	56.5
198.12021	2.7
199.13451	3.8
207.10216	6.9
207.13715	2.3
209.11786	23.2
211.13383	18.3
225.11369	3.7
227.12856	5.0
235.08189	6.3
237.11313	7.0
237.14795	3.3
245.19090	20.9
253.09264	35.9
254.09247	2.3
263.20209	9.3
265.17920	2.9
273.18665	2.8
277.21793	4.4
289.14819	2.9
289.18109	87.8
290.18399	6.5
291.19675	42.4
307.19159	86.5
308.19461	8.6
309.20718	100.0
310.20996	9.4
333.14236	2.6
525.27148	5.2
543.28540	3.3
895.47723	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	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.7
69.03326	0.7
69.43183	4.1
69.43588	1.0
71.01257	32.4
72.99165	2.6
73.02442	1.1
73.02824	12.0
74.18546	0.7
75.00752	15.4
83.01248	5.0
85.02827	23.8
85.99983	1.5
87.00751	8.1
87.04379	3.2
89.02341	4.0
95.01270	4.1
98.19804	1.4
99.00767	13.2
101.02335	3.7
103.03887	1.9
111.00725	0.8
112.01563	0.7
113.02334	9.0
115.03906	4.2
119.03430	0.8
131.03378	6.1
143.03398	5.0
145.04913	0.7
157.01228	1.0
163.06058	1.5
205.06972	3.3
276.14520	0.7
276.57169	0.8
439.35754	3.3
509.39941	1.4
520.94531	0.7
631.84576	0.8
801.47595	0.8
877.49744	1.8
895.50574	100.0
896.50989	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.6
68.99683	1.7
69.03320	1.3
69.26498	2.7
71.01253	31.6
72.01578	0.4
72.99185	3.1
73.02820	8.6
75.00748	13.4
81.03307	0.5
83.01249	3.9
85.02824	23.9
85.99971	1.8
86.03133	0.4
87.00751	8.9
87.04393	2.5
88.98669	0.5
89.02331	3.6
95.01266	3.3
95.29759	0.3
98.19852	0.9
99.00760	13.4
101.02322	4.5
103.03885	1.4
105.57621	0.3
110.99487	0.3
111.00769	0.6
112.01546	0.6
113.02336	9.7
115.00269	0.5
115.03883	2.3
125.02307	0.4
131.03400	6.2
137.02361	0.5
137.09593	0.4
139.00276	0.6
143.03403	4.6
145.02800	0.4
145.04944	0.7
147.04416	1.5
157.01334	0.8
163.06056	1.4
164.31897	0.4
168.61691	0.4
171.10246	0.5
191.03355	0.4
205.07170	2.6
209.11885	0.9
211.13330	0.7
260.46793	0.4
279.34622	0.4
291.19632	0.9
439.35745	1.5
491.38995	0.5
509.39880	1.3
553.39185	0.5
877.49231	1.6
895.50659	100.0
896.51074	25.0
916.48340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33498	0.4
66.95239	0.4
68.99693	2.0
69.03320	1.3
71.01254	32.5
71.04901	0.6
72.01582	0.6
72.99179	2.2
73.02823	9.7
75.00749	14.1
83.01254	4.1
85.02824	24.1
85.99963	1.5
87.00755	10.0
87.04383	2.4
88.01053	0.4
88.98644	0.5
89.02318	4.2
91.05440	0.4
93.03341	0.6
95.01266	3.7
96.95868	0.5
97.02811	0.8
99.00758	14.6
99.04402	0.5
101.02314	4.3
103.03900	1.5
105.03413	0.4
109.02800	0.4
111.00748	0.4
113.02326	9.2
115.00246	0.6
115.03865	2.6
119.03397	0.6
119.04871	0.4
121.02858	0.8
122.03655	0.4
125.02338	0.9
130.99763	0.9
131.03403	6.3
137.02321	1.0
139.00229	0.8
139.03835	0.6
143.03403	4.8
145.04890	0.6
147.04434	3.8
148.05133	1.2
157.01341	0.8
163.06056	0.9
171.10257	0.6
183.13921	0.5
191.03387	0.9
192.04190	1.1
193.04875	0.5
205.07054	2.3
207.10147	0.7
209.11699	0.9
211.13321	4.3
212.13620	0.6
218.02086	0.5
225.11253	0.5
236.03256	0.6
247.08116	0.6
295.35272	0.4
343.08450	0.6
439.35831	4.2
440.36029	0.9
509.40225	1.7
599.39551	0.5
599.77319	0.5
629.79114	0.5
650.00232	0.4
676.15942	0.4
799.39117	0.5
877.49823	1.3
895.50690	100.0
896.51141	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	3.1
69.03332	1.3
71.01254	37.6
72.99192	2.5
73.02821	8.5
75.00753	12.9
83.01257	4.9
85.02823	26.2
85.99973	1.8
86.03168	0.9
87.00755	16.3
87.01281	1.2
87.04405	1.8
88.17355	0.6
89.02327	4.1
91.05445	0.8
95.01286	2.9
96.95920	0.8
97.02848	0.9
99.00756	13.9
101.02334	3.6
103.03907	0.9
103.66367	0.7
105.03368	0.7
111.00767	0.8
112.01523	0.8
113.02328	9.9
115.03898	1.6
119.03426	1.1
121.02864	2.5
122.03677	1.1
124.63085	0.6
125.02415	0.7
128.32538	0.8
129.01837	0.7
130.99792	2.5
131.03391	6.9
133.02875	1.0
137.02357	7.4
137.48224	0.6
138.02718	1.2
139.03920	2.1
140.04274	0.8
143.03374	4.5
145.02823	0.7
145.04982	1.1
146.03711	1.0
147.04419	15.7
147.05577	0.8
148.05214	6.6
149.05621	1.9
157.01344	1.1
159.04558	0.9
163.03983	1.1
163.06009	1.5
173.05937	0.6
183.13867	0.7
191.03464	1.5
192.04279	3.4
193.04787	1.6
201.09248	0.8
205.07184	2.4
209.11801	1.4
211.13347	5.6
217.01379	1.0
218.02164	2.0
219.02719	0.7
236.03340	1.8
237.03625	0.8
247.08485	0.7
293.21405	1.5
310.71948	0.7
313.18274	0.8
438.50519	0.6
439.35742	3.1
447.16357	0.8
509.39908	1.2
628.29517	0.8
789.38849	0.9
810.26373	0.8
877.38464	2.9
895.51215	100.0
896.51514	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	1.7
69.03328	1.0
71.01257	28.9
71.53715	0.8
72.99169	2.5
73.02823	8.1
75.00748	12.9
83.01250	3.4
85.02825	24.6
85.03355	1.2
85.99947	1.3
87.00748	8.5
87.04390	2.7
88.98675	2.1
89.02306	3.0
95.01279	3.5
99.00763	14.0
101.02333	4.0
103.03858	1.9
113.02338	10.6
115.03905	2.4
116.92699	0.8
121.02867	0.9
127.03891	0.9
131.03394	7.6
140.78236	0.6
143.03409	6.1
145.04927	0.8
146.03676	0.8
147.04395	2.3
157.01260	0.9
163.05981	0.9
171.10146	0.8
192.03996	0.7
195.65285	0.7
205.07106	2.4
209.11736	1.4
211.13364	1.3
219.80676	0.7
343.07993	1.3
373.18588	0.7
421.31149	0.9
437.34216	1.1
507.38217	1.1
875.48108	1.4
893.49158	100.0
894.49524	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.4
68.99683	2.6
69.03328	1.0
69.95367	1.7
71.01253	34.2
72.99180	2.9
73.02821	9.8
75.00747	17.0
83.01260	4.4
84.02067	0.5
85.02824	28.1
85.99953	1.9
86.03134	0.7
87.00752	15.9
87.04378	2.9
89.02311	3.9
91.05416	0.5
93.03339	0.8
95.01267	3.7
95.04902	0.4
97.02811	1.0
99.00755	17.1
99.02859	0.4
101.02316	4.8
103.03900	1.6
105.03333	0.8
111.00748	0.6
112.01561	0.5
112.41102	0.4
113.02337	11.4
115.00228	0.6
115.03889	2.6
119.03394	0.5
119.04893	0.9
121.02846	2.6
122.03651	1.4
123.04388	0.4
124.39902	0.4
129.01804	0.4
130.99747	2.8
131.03394	8.1
137.02345	1.3
137.09612	2.5
139.00287	0.6
143.03400	5.0
145.02881	0.5
145.04977	1.2
147.04416	4.1
148.05199	1.3
149.02383	0.9
150.03181	0.5
157.01353	1.1
163.03920	1.2
163.06007	1.0
164.04750	0.5
183.13858	0.6
191.03464	0.5
192.04193	0.7
205.07120	2.2
209.11758	3.9
211.13338	3.6
217.01390	0.5
218.02248	0.4
246.27960	0.4
254.04317	1.7
437.34192	5.8
438.34457	0.6
507.38614	1.7
833.36548	0.6
875.48682	1.2
876.49622	0.7
893.49451	100.0
894.50067	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13513	5.2
71.01254	4.3
81.03324	1.4
87.00748	2.6
89.02264	1.9
97.06455	1.8
98.20460	1.5
101.02328	3.3
109.06496	7.0
111.04427	1.8
111.08054	1.5
113.02373	2.0
113.97357	1.5
123.08014	1.6
125.09621	2.4
127.07513	2.2
137.09550	1.9
161.13141	1.7
171.10159	2.2
185.11726	2.9
188.00206	1.3
191.14354	3.4
194.30856	1.3
195.13911	2.1
197.11732	3.7
197.45410	1.3
204.32184	1.4
209.11769	8.6
211.13354	1.5
245.19113	8.2
253.09325	10.5
263.20197	1.8
287.16519	2.7
289.18106	100.0
290.18460	10.6
291.19595	1.8
293.21338	9.6
307.19159	31.3
308.19440	2.3
309.20703	5.6
372.40637	1.6
478.75073	1.5
525.27484	2.9
563.59113	1.7
753.06836	1.4
783.64899	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	895.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.8
68.99687	1.8
69.03334	1.1
71.01255	30.6
71.53862	0.7
72.01598	0.5
72.99180	2.4
73.02824	8.3
75.00749	14.3
81.03316	0.6
83.01257	4.8
85.02827	22.5
85.99975	1.6
87.00752	9.3
87.04395	2.5
88.98695	0.9
89.02320	3.7
95.01256	3.1
97.02858	0.5
99.00764	13.4
100.01076	0.5
101.02313	3.6
101.42067	0.5
103.03898	1.6
112.01546	0.4
113.02335	10.3
115.03886	2.0
119.03439	0.5
119.04913	0.5
121.02842	0.6
131.03400	6.7
137.02367	0.6
143.03416	4.2
145.04918	1.0
145.96024	0.4
147.04433	1.4
148.78578	0.5
157.01366	0.7
163.06012	0.6
171.10165	0.6
173.09761	0.4
205.07108	2.7
209.11772	0.6
211.13435	1.0
309.20673	0.7
342.07019	0.5
397.13409	0.5
439.35730	4.4
440.36432	0.7
509.39996	1.6
599.39380	0.7
820.80493	0.6
877.49475	0.7
895.50702	100.0
896.51062	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.4
71.01245	7.9
71.54634	1.3
73.02789	1.4
80.02576	1.4
81.03346	3.0
83.04903	2.2
85.02825	2.7
87.00739	7.9
89.02324	3.3
91.05429	2.8
93.03319	2.5
101.02317	4.8
105.73582	1.4
108.02068	2.3
109.02843	14.5
113.02320	2.1
119.04925	3.5
121.02852	7.6
122.03595	1.9
133.02879	3.6
134.03619	3.9
135.04414	40.3
137.02336	11.1
138.03165	1.5
139.03931	2.7
141.92039	1.3
144.73901	1.4
145.02890	2.2
146.03645	4.0
147.04419	33.3
148.05215	8.8
149.02368	2.6
149.05879	2.2
153.05487	4.1
155.04796	1.5
159.04431	13.0
160.01541	1.4
160.05157	4.7
161.02405	1.5
161.06004	6.5
163.03947	1.9
163.11217	2.4
164.04697	3.3
165.05424	1.8
172.05206	11.1
173.05995	21.5
174.03142	5.6
174.06766	7.2
175.03905	2.5
175.07544	2.1
176.04601	1.8
179.07072	3.3
185.06029	6.1
186.06866	8.1
187.04001	7.8
187.07600	8.7
188.04707	2.3
188.08281	4.3
189.05519	9.1
191.03421	3.4
192.04160	3.3
193.04974	3.7
196.05186	2.2
197.06056	5.1
198.06799	3.4
199.03853	2.1
199.07610	2.9
200.04735	3.8
200.08318	4.7
201.05534	13.3
201.09053	3.7
202.06076	1.5
209.11766	21.7
211.07590	4.5
211.13350	3.6
212.08527	2.3
213.05344	3.6
213.09242	2.3
214.06224	3.0
215.07092	8.3
216.07823	13.5
218.05762	2.0
223.07532	1.4
225.09247	2.3
226.06229	1.6
227.03339	1.5
227.07166	3.4
229.08617	2.4
241.05206	1.9
241.12119	1.7
243.10347	1.6
254.05925	2.5
255.13916	2.3
257.15762	1.5
260.06894	1.9
267.13892	1.4
269.08212	4.4
269.15591	2.5
271.06339	1.5
283.13406	5.8
285.14996	6.8
286.08591	1.6
295.17230	1.9
297.14951	44.1
297.18365	2.8
298.15335	4.1
299.01971	1.6
300.13715	4.4
301.10812	95.5
302.11084	9.9
311.12854	6.1
311.16235	2.1
312.13608	3.2
313.03470	3.8
313.14508	2.2
313.18109	3.8
315.15976	9.6
321.15015	2.4
323.16516	23.8
324.16968	2.1
325.14786	1.4
327.98450	1.6
329.06613	2.0
329.13953	3.1
339.15872	5.8
341.17612	39.3
342.18057	3.9
343.08252	5.2
357.16840	2.5
359.18521	5.9
367.15381	4.0
385.16522	5.8
408.82401	1.4
424.08261	1.7
429.15732	1.6
595.27899	8.8
621.25311	1.8
639.26898	4.6
787.40295	2.2
805.40338	6.1
806.41705	1.6
831.37579	4.5
849.39148	20.5
850.39551	4.1
875.36761	12.1
876.37848	2.9
891.42676	1.9
893.38141	100.0
894.38440	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01744	0.8
68.99680	1.8
69.03316	1.4
69.34733	1.6
71.01254	31.3
72.01567	0.3
72.99184	2.8
73.02821	9.3
75.00748	14.7
76.65530	0.2
81.03371	0.2
83.01264	4.1
85.02822	24.3
85.99978	2.0
86.03146	0.3
87.00754	10.3
87.03864	0.3
87.04382	3.3
88.98660	0.3
89.02315	3.7
90.58823	0.2
95.01260	3.1
97.02825	0.6
97.30004	0.2
98.19775	0.2
99.00756	14.6
99.04383	0.3
100.01109	0.3
101.02327	3.2
103.03879	1.4
111.00763	0.6
112.01525	0.6
113.02333	10.3
115.00304	0.5
115.03896	3.2
115.91553	0.2
116.04263	0.2
119.03393	0.5
125.02326	0.3
129.01878	0.3
130.99779	1.2
131.03392	6.9
137.09633	0.3
139.00285	0.6
143.03404	5.0
145.04974	1.1
147.04410	0.5
157.01328	1.0
163.06046	1.2
205.07080	2.6
206.07401	0.2
209.11783	0.3
211.13348	0.4
247.08241	0.4
254.04272	0.9
292.26633	0.2
306.31573	0.2
405.27802	0.4
421.31168	0.8
437.34201	4.0
438.34595	0.7
498.67590	0.3
507.38321	1.5
579.37610	0.4
597.38159	0.5
875.48706	1.6
876.48492	0.5
893.49072	100.0
894.49402	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.7
65.03841	0.9
69.33151	2.9
69.33573	2.6
71.01260	1.2
73.02808	1.0
76.51606	0.6
85.02844	0.7
87.00769	1.2
91.05405	2.7
93.03318	1.8
101.02345	1.2
108.02052	9.6
109.02857	8.2
113.02334	0.9
119.04929	1.2
121.02834	3.7
123.04443	0.8
133.02840	1.7
134.03664	1.4
135.04417	25.1
136.01563	14.6
136.04758	1.3
137.02336	1.6
139.03993	0.7
147.04398	4.2
149.02332	1.2
151.03912	38.7
152.01059	5.6
152.04251	1.9
153.01785	2.7
153.05496	1.5
159.04308	0.8
160.01476	1.4
162.03075	0.8
163.03908	1.2
165.05489	1.2
172.05173	1.0
175.03864	1.0
177.01862	1.9
179.07056	2.2
185.05876	0.6
187.03947	0.8
187.07399	0.8
191.03351	0.7
193.05000	1.8
197.02257	0.9
199.07631	1.5
201.09178	1.4
209.11786	1.1
211.03926	0.7
211.13214	0.8
213.01799	1.0
214.06215	0.7
215.07162	0.9
223.07579	0.8
224.79472	0.6
225.01851	1.3
225.09248	0.8
225.34561	0.7
227.07124	1.0
229.05048	0.7
239.03453	1.1
240.04292	1.3
241.01404	1.5
241.04941	0.9
242.02048	1.2
243.02885	1.2
243.10123	0.8
253.01305	1.2
255.02946	1.0
256.03708	0.9
257.04538	0.9
268.03772	1.2
269.00934	3.5
269.08142	1.4
270.05307	0.9
271.06137	0.9
283.02359	1.2
283.06311	0.8
284.03293	5.4
285.07654	1.1
291.02841	0.7
296.03354	1.4
297.00284	2.0
297.03531	0.8
299.05573	4.1
301.10825	10.3
302.11166	1.4
311.01889	1.1
312.02805	7.8
313.03427	2.5
314.07886	3.9
315.07175	6.3
321.14966	1.2
327.04816	3.2
328.05640	1.1
339.07144	1.4
339.16016	1.9
342.07455	15.8
343.08054	4.5
383.06369	2.0
403.04623	1.1
405.05969	0.8
429.15475	1.8
431.03952	2.8
432.04709	0.9
445.05594	1.7
446.06125	1.1
447.07043	0.9
449.08875	1.1
461.08719	3.0
461.18301	1.8
462.09192	1.0
463.10669	1.4
475.10330	1.4
493.11139	5.2
494.11700	1.0
507.12793	1.6
581.10034	1.0
593.26294	0.9
643.18207	5.1
644.18518	1.4
726.12555	0.8
760.16992	0.7
785.17279	0.8
805.23315	2.2
847.24512	100.0
848.24902	26.1
891.38074	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	889.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.2
69.03324	1.3
71.01256	17.1
71.53185	0.5
72.99174	1.2
73.02824	2.3
75.00746	0.9
78.95781	0.5
79.95579	0.4
80.96392	0.5
81.03319	0.6
83.01279	1.6
85.02821	4.7
87.00749	4.7
89.02325	12.7
95.01289	1.3
97.02814	2.3
99.00762	0.8
99.04430	0.4
101.02328	12.0
102.38848	0.4
111.04380	0.5
113.02324	8.6
113.03073	0.6
116.92729	0.7
119.03395	3.5
121.02789	0.4
125.02351	6.2
125.09637	1.3
127.11183	2.2
131.03439	0.7
139.03925	0.9
141.01834	0.8
143.03394	2.5
152.99567	0.5
154.47194	0.4
161.04468	3.4
167.03439	0.7
171.10184	100.0
172.10576	3.8
179.05528	3.5
185.11722	0.5
195.49190	0.4
199.06145	0.5
209.11716	1.6
213.11241	0.9
217.07140	1.3
221.06688	1.7
227.12941	0.4
234.11792	0.5
235.08188	5.5
245.04207	0.6
253.09328	0.9
259.08224	0.9
277.21729	55.7
277.75488	0.4
278.22031	5.0
281.24832	1.0
287.07764	2.0
301.09213	0.5
305.08972	2.1
319.22757	0.5
323.09601	1.1
361.11276	0.4
379.12457	15.2
380.12869	1.1
397.13501	39.8
398.13721	2.9
415.14557	8.3
446.22873	0.5
481.25720	1.1
551.23517	4.1
569.24487	3.9
657.34814	1.0
675.36377	1.1
797.58435	0.5
889.48889	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	3.0
69.03336	1.2
71.01254	18.7
71.95232	0.5
72.99182	1.4
73.02836	2.6
75.00761	0.7
78.95778	0.5
79.95555	0.5
80.96355	0.5
81.03345	0.9
83.01262	2.5
83.04899	0.6
85.02836	4.2
86.91070	0.4
87.00753	4.7
89.02317	13.6
95.01276	1.9
97.02842	3.9
99.00756	0.9
101.02325	14.5
109.02855	0.8
111.04414	1.1
111.72381	0.4
113.02331	7.8
119.03396	3.9
121.02801	0.5
125.02340	8.1
125.09630	1.4
127.11169	1.7
131.03426	0.9
139.03941	1.0
141.01857	0.5
143.03392	2.6
149.04448	0.7
154.64275	0.5
161.04483	4.1
171.10179	100.0
172.10489	3.8
179.05531	3.4
183.71979	0.5
199.06175	0.7
209.11754	6.2
211.13251	0.5
217.07156	1.4
221.06639	1.9
227.12852	0.6
229.67992	0.5
233.22665	0.5
235.08163	7.0
253.09294	0.9
255.23344	0.6
259.08224	1.5
263.07745	0.7
277.21716	70.7
278.22052	6.4
281.24841	3.2
287.07639	2.2
301.09244	0.6
305.08881	2.6
323.09882	1.5
379.12448	14.7
380.12701	1.4
397.13489	45.7
398.13910	2.9
415.14539	9.3
481.25778	0.7
551.23602	2.8
569.24713	2.1
657.34607	1.2
675.02527	0.5
675.36395	2.6
889.46649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24318	0.9
69.32861	5.7
69.33278	1.9
71.01265	3.7
71.68890	0.8
85.02832	2.5
87.00745	4.1
89.02321	1.2
91.05406	9.3
93.03339	2.5
93.06968	1.1
95.04890	1.2
98.20571	1.5
99.00748	2.3
108.02051	11.0
109.02862	5.1
111.00782	1.9
113.02348	1.2
117.03354	6.5
119.04060	1.5
119.04919	31.3
120.05267	1.3
121.02840	3.9
123.00820	1.0
123.04406	1.2
125.02343	1.6
133.02849	1.3
134.03613	2.4
135.04427	2.8
137.02347	4.0
137.05975	3.8
139.03856	0.9
145.02859	8.2
147.04430	6.3
148.05147	1.3
149.02371	1.6
149.04486	1.0
149.05994	1.4
150.03073	1.0
151.00267	3.7
151.03900	1.3
152.01065	16.0
153.01805	1.7
159.04391	1.7
161.02348	1.3
162.02905	1.1
163.00307	0.8
163.02647	0.5
163.03920	15.3
164.04486	1.1
165.01860	0.8
165.05354	1.1
173.04338	0.8
175.03966	1.4
177.01840	1.5
177.33777	0.8
178.99623	1.0
181.05031	1.3
189.01889	10.0
190.02451	0.9
191.03419	2.8
191.05550	1.1
192.04279	1.1
193.04977	1.8
203.03604	1.1
207.02914	13.9
208.03374	1.0
225.05566	1.7
226.02637	1.5
227.03488	1.9
233.00868	7.4
241.04951	1.4
242.02177	1.5
243.02902	4.5
254.02219	1.1
255.02924	9.2
256.03589	1.1
269.04666	1.3
270.01736	3.8
271.02478	18.2
272.02951	1.8
284.03204	2.8
285.04025	9.7
292.07294	0.8
295.06396	0.8
297.03912	1.7
298.01163	2.8
299.01990	0.9
299.05716	1.3
300.02780	24.6
301.03317	3.4
313.03543	43.2
314.03818	2.0
327.05164	3.4
327.08636	1.3
328.05893	15.3
329.06482	2.1
329.11340	1.7
343.08224	100.0
344.08594	8.8
351.10901	2.5
397.09338	1.3
423.07233	1.8
447.11508	17.6
448.11960	1.7
501.12308	2.4
527.10291	1.2
545.11517	2.1
637.17737	3.9
671.21423	0.9
741.18890	1.4
845.21393	1.7
889.22705	15.6
890.22540	3.3
913.76984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	1.0
65.00201	1.2
70.28688	2.7
83.01262	1.1
83.16817	0.7
83.77477	0.7
107.01293	3.2
109.02857	1.3
121.02886	1.1
151.00305	9.2
152.01057	1.0
157.45509	0.6
163.00247	1.1
168.75764	0.7
169.01318	1.5
178.99731	3.8
183.04387	0.9
199.03947	2.3
201.43121	0.7
215.03487	2.7
216.03914	0.6
226.02721	1.3
227.03470	3.7
243.02928	6.0
245.04575	0.9
255.02977	5.7
256.03281	0.7
271.02496	64.9
272.02908	4.8
273.04095	0.8
299.01981	100.0
300.02713	64.6
301.03488	33.2
301.08661	0.9
302.03876	2.6
313.03482	1.9
314.03931	0.8
329.03018	2.3
343.04529	1.4
420.81009	0.7
463.08868	2.6
594.12250	8.9
595.12970	16.9
596.13538	2.4
866.57587	0.8
889.22540	74.0
890.23083	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	889.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	3.2
71.01257	10.5
71.05656	1.3
73.02832	1.8
75.67822	1.3
83.01275	2.3
85.02833	4.9
87.00749	7.1
88.98643	1.6
89.02337	4.3
93.03389	1.7
95.04901	2.8
96.95889	2.5
97.67379	1.4
99.00772	2.2
101.02318	7.9
109.02853	3.4
113.02344	3.5
116.92735	1.8
117.12392	1.3
119.04906	3.2
121.02856	3.3
129.71288	1.5
133.02867	1.5
134.03650	4.6
135.04393	2.7
137.02318	7.9
139.00258	2.1
139.03918	4.5
145.02861	1.7
146.03636	5.1
147.04416	37.5
148.05217	9.8
149.05971	3.2
159.04433	13.5
160.05157	5.5
161.02327	3.4
161.04706	1.3
161.05980	7.4
163.03902	2.2
163.07626	2.1
165.04050	1.6
165.05516	2.0
172.05168	9.8
173.05991	24.4
174.03096	4.5
174.06641	5.3
175.03902	4.2
175.07455	2.5
176.04713	3.5
185.06010	7.0
186.06757	9.3
187.03920	11.7
187.07530	8.3
188.04597	2.4
188.08257	2.6
189.01944	2.1
189.05466	8.6
191.03543	1.8
192.04213	5.3
193.04990	4.9
196.05162	2.0
197.05980	9.6
198.06770	4.6
199.03943	2.2
199.07596	3.2
200.04749	4.1
200.08359	3.2
201.05560	14.8
201.09128	3.0
205.12288	2.1
209.11833	3.4
211.07544	3.1
211.13350	6.6
212.08305	1.9
213.05530	3.5
214.06236	1.9
215.07104	10.9
216.07863	19.0
218.05890	2.3
223.13310	11.5
225.05441	1.9
241.12288	3.3
242.05719	2.3
255.13870	2.3
260.06824	1.7
267.14038	1.9
269.15445	2.5
271.13620	1.6
283.13354	6.6
285.14896	7.5
295.16971	3.1
297.14960	43.5
297.18362	3.0
298.15298	5.2
300.02747	1.6
300.13687	2.5
301.14600	1.8
302.15106	1.9
305.15488	1.8
311.12936	6.1
311.16284	2.2
312.13385	2.2
313.03473	2.2
313.18201	4.5
315.15906	12.7
323.16504	28.9
324.16800	4.6
325.14673	1.7
327.15945	2.2
327.21936	2.3
339.15918	2.5
341.17587	49.7
342.07355	2.2
342.17911	7.2
343.08337	4.3
357.17178	1.6
359.18701	7.5
367.15668	3.6
385.16507	6.6
411.14539	1.8
577.26538	3.2
595.27289	9.9
596.27936	1.9
597.36847	3.4
621.25500	3.5
639.26764	10.2
641.42279	1.9
783.39313	2.9
801.40680	11.3
802.39319	2.3
827.38611	4.3
845.38434	28.8
846.38721	7.7
871.37415	16.2
872.37244	4.9
889.38464	100.0
890.38788	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4649
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98703	12.4
62.38494	1.0
63.96079	1.2
71.01256	17.9
71.08760	2.5
72.99183	2.1
73.02824	2.8
75.00744	3.4
79.95624	2.4
83.01247	1.7
83.04882	1.3
85.02831	3.8
87.00742	4.7
88.58901	1.1
89.02316	10.7
95.01249	1.9
97.02814	2.6
97.06461	1.3
99.00773	2.0
101.02338	11.7
113.02317	5.2
116.92765	2.1
119.03394	2.7
125.02330	3.6
125.09587	2.2
139.11188	1.4
143.03403	1.9
161.02277	2.0
161.04417	2.9
167.10684	2.6
171.10202	2.3
179.05544	3.1
185.11757	58.1
186.12050	3.0
199.13412	1.5
201.11154	2.0
209.11836	6.0
210.12090	2.5
211.13312	1.7
221.06485	2.5
227.12906	6.6
228.13202	2.5
229.14450	1.8
235.08167	1.4
277.21741	27.2
278.21982	2.2
279.23099	1.8
295.22961	2.4
397.13626	9.0
398.13684	1.9
415.14413	2.8
609.24438	1.9
869.46417	2.0
887.46490	100.0
888.46783	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	889.205
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.7
87.00764	2.1
89.02297	0.3
93.03380	0.5
98.19736	0.5
99.00751	0.5
101.02314	0.5
108.02095	0.4
112.98708	0.4
116.92760	0.7
123.04429	0.4
135.04437	0.5
137.02258	0.6
145.02827	0.4
147.04411	0.8
150.03142	0.4
151.03830	0.3
163.00290	0.3
163.03864	0.5
165.05467	0.5
175.03938	0.4
177.01790	0.4
178.02634	0.4
179.50478	0.3
193.05003	0.5
206.19281	0.3
227.03377	0.6
229.01384	0.3
229.32561	0.3
243.02974	1.9
254.02443	0.3
255.02942	1.2
271.02493	1.0
284.03287	0.8
285.04047	0.8
296.03284	0.5
300.02698	1.0
301.03015	0.5
313.03421	0.9
328.02203	0.6
343.08279	3.2
345.04071	0.6
346.04474	0.5
347.02045	0.4
351.10687	0.5
361.03629	0.4
371.05331	0.4
373.03403	0.6
374.04346	0.4
376.06033	0.4
377.06583	0.3
388.06070	0.5
389.02960	3.2
390.03723	0.7
403.04919	0.4
404.05280	0.4
415.04398	0.7
416.05420	0.5
417.02567	1.1
418.03207	0.6
432.05005	2.0
433.05655	1.4
435.10669	0.5
443.03644	0.4
447.07349	3.8
448.07614	0.9
457.05658	0.9
459.07434	0.7
461.09512	2.0
462.09387	1.0
463.10544	2.1
475.06726	24.0
476.07150	3.5
486.02744	0.4
489.07846	2.0
490.09000	3.0
491.09894	1.8
494.08536	0.8
495.09344	0.7
501.04578	0.7
503.06244	7.8
504.06363	1.1
505.11423	19.3
506.11942	3.1
517.07794	0.7
518.08783	0.9
529.04199	5.7
530.04541	1.1
531.09424	0.7
533.10919	7.7
533.18494	0.5
534.11316	1.0
535.08850	7.3
536.09320	1.0
543.06122	0.5
544.06268	0.8
549.10168	0.6
550.10999	0.4
559.08771	8.4
560.09167	1.3
577.09894	100.0
578.10187	16.1
594.09094	0.4
595.10962	43.8
596.11407	6.3
889.22498	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	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	1.8
68.99695	0.2
69.03333	0.8
70.82401	0.5
71.01256	12.6
72.01589	0.4
72.49931	0.2
72.99183	1.0
73.02808	1.9
75.00735	0.2
78.95795	0.2
80.02552	1.3
80.96389	0.2
81.03329	2.2
83.01255	1.8
83.04901	4.7
84.02041	0.8
84.02498	0.2
85.02825	3.2
87.00755	3.4
89.02320	10.8
91.03883	0.3
93.03320	0.3
95.01276	1.1
95.04906	0.7
97.02829	1.9
99.00760	0.8
99.47205	0.2
101.02328	10.4
109.02837	0.4
109.06456	0.6
113.02335	6.7
119.03397	3.3
120.03664	0.2
120.60113	0.2
121.02843	0.3
125.02340	5.0
125.05966	0.5
125.09592	0.2
127.03893	0.3
131.03404	0.7
133.04980	0.2
135.08038	0.7
139.03911	0.7
143.03424	2.5
147.11763	0.3
149.04486	0.3
161.04492	2.8
163.11201	4.2
164.11600	0.4
165.12775	2.7
167.03378	0.4
179.05540	3.6
181.04985	0.2
181.12325	0.7
185.04515	0.2
185.11861	0.2
191.10742	0.9
199.05922	0.3
199.13315	0.3
207.10220	0.8
208.10568	0.5
209.11777	100.0
210.12119	5.6
211.13443	0.3
217.07108	0.8
221.06587	1.4
225.11278	1.0
226.11542	0.4
227.12851	12.7
228.13187	0.7
235.08205	5.2
236.08475	0.2
245.06660	0.4
251.10368	0.2
251.12906	0.6
253.09319	0.7
259.08206	0.4
262.88446	0.2
263.07742	0.3
264.07956	0.2
277.21725	42.7
278.22076	4.4
287.07755	1.6
305.08774	1.8
323.09708	1.0
355.86826	0.2
361.11642	0.3
379.12473	5.8
380.12762	0.5
397.13498	30.7
398.13898	2.4
415.14575	8.4
415.18909	0.2
416.14984	0.8
497.20499	0.3
516.25519	0.2
589.25061	0.5
607.26050	1.0
625.26477	0.2
653.95679	0.2
690.55261	0.2
885.47009	1.8
886.47302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.189
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03819	1.5
71.01257	2.3
71.52535	1.8
71.52953	2.1
93.03333	3.2
107.04945	1.7
119.04873	2.6
134.03610	2.0
135.04417	23.2
137.02350	4.9
145.02847	5.6
148.01579	2.7
159.04462	2.1
161.02333	7.1
162.02985	2.0
163.03923	93.5
164.04239	2.4
173.06267	1.5
175.03754	1.6
177.01878	1.9
189.01770	1.7
225.01959	2.1
239.07141	2.1
240.04143	4.3
245.75105	1.9
255.02997	3.2
257.04501	1.8
267.02856	3.4
268.03638	3.9
269.00900	4.4
284.03308	12.1
285.03903	4.3
295.02386	2.5
297.00543	2.4
299.05609	5.2
312.02762	11.1
313.03702	2.6
314.07928	4.9
327.05078	5.3
342.07483	42.5
343.08054	5.3
385.07709	1.9
386.04001	1.8
403.08093	3.4
429.06284	4.0
430.07150	1.8
447.06601	1.9
457.05405	15.1
458.05859	2.6
472.08133	2.9
473.89282	2.0
475.06708	6.9
487.10385	38.8
488.10535	5.6
505.11404	100.0
506.11789	17.1
531.09436	10.8
549.10419	42.6
550.10742	7.6
725.19818	3.1
799.20850	25.1
800.20917	7.5
825.19122	9.5
826.19086	2.4
843.19727	27.0
844.19952	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	887.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.6
65.00201	1.0
69.56147	2.6
75.27527	0.4
76.38756	0.4
80.80668	0.4
83.01286	0.4
91.01758	0.4
107.01257	2.6
108.02051	1.3
117.03350	2.1
119.04917	0.8
121.02837	1.0
122.45583	0.4
133.02820	0.5
135.00766	0.8
136.09079	0.4
145.02855	3.5
148.01579	1.2
151.00272	7.0
161.02353	1.2
163.00270	1.2
164.01131	0.5
169.01399	0.5
178.99805	3.9
187.03908	0.5
189.78842	0.3
189.80566	0.4
197.62512	0.3
199.03967	0.7
211.03937	0.8
215.03354	0.7
216.04283	0.6
226.02571	2.0
227.03458	3.7
228.04111	0.4
243.02945	10.2
244.03508	0.6
254.02222	2.6
255.02969	29.6
256.03351	2.0
271.02472	62.9
272.02911	5.6
273.03860	0.5
283.02505	0.5
284.03366	0.5
299.02057	4.3
300.02737	100.0
301.03317	14.8
302.03906	0.7
513.17267	0.4
558.86481	0.4
741.18835	21.6
742.19360	3.6
767.16895	1.3
887.22479	34.8
888.22858	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	887.225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	0.7
65.00204	1.1
68.33324	0.4
69.38136	1.4
69.38555	2.2
81.27612	0.4
83.01254	1.0
91.86327	0.4
93.03333	0.6
107.01273	2.7
108.02061	1.6
109.02841	0.8
117.03389	0.9
119.04910	0.7
121.02847	1.6
135.00778	0.7
145.02844	1.8
148.01544	1.8
149.05934	0.5
151.00275	9.8
152.00951	0.5
161.02373	0.7
163.00322	1.1
163.03896	0.5
164.01097	1.0
169.01360	0.7
175.03923	0.5
177.54585	0.4
178.99808	4.9
192.00452	0.4
193.05057	0.5
199.03922	1.0
201.01903	0.5
205.05026	0.5
211.03906	0.5
215.03363	0.7
216.04198	0.4
226.02718	1.7
227.03447	3.3
229.05257	0.6
232.10863	0.4
243.02962	11.4
244.03395	1.2
254.02219	2.5
255.02959	29.7
256.03232	1.8
271.02472	64.4
272.02945	7.2
273.03943	0.9
284.03159	0.7
299.01971	4.0
300.02731	100.0
301.03311	15.4
302.03860	0.6
339.05688	0.5
681.27435	0.6
723.17737	3.0
741.18848	19.4
742.19568	2.8
834.18329	0.6
887.22461	22.8
888.22839	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	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.6
69.03349	0.9
70.67457	0.2
71.01257	13.5
72.01598	0.2
72.99174	1.1
73.02821	1.9
75.00760	0.2
80.02551	1.0
80.96377	0.2
81.03327	1.7
82.03710	0.2
83.01261	1.5
83.04894	4.9
84.02044	0.9
85.02819	2.8
86.50488	0.2
87.00751	3.1
89.02320	11.3
93.03324	0.2
95.01260	0.8
95.04922	0.9
97.02815	2.1
97.06449	0.3
99.00777	0.7
101.02325	10.2
102.02641	0.3
109.02760	0.2
109.06502	0.3
111.00787	0.3
111.04427	0.5
113.02338	6.0
115.03934	0.2
119.03391	3.2
121.02827	0.3
125.02335	5.2
125.05974	0.5
126.13889	0.2
131.03398	0.3
133.04956	0.5
135.08052	0.7
139.03915	0.6
141.01819	0.5
143.03401	1.9
147.11647	0.3
149.04449	0.2
161.04485	3.1
163.11212	4.3
165.12767	2.4
167.03380	0.3
169.04886	0.2
179.05536	3.8
180.05820	0.2
181.12277	0.6
191.10689	0.9
199.06053	0.5
209.11777	100.0
210.12128	6.1
210.13622	0.1
217.07146	0.7
219.04976	0.3
221.06607	1.2
225.11072	0.2
227.12840	10.8
228.13298	0.5
229.72574	0.2
233.11627	0.2
235.08186	5.4
245.06670	0.5
251.12865	0.8
253.09273	0.8
253.92038	0.3
259.08313	0.4
263.07813	0.4
269.06696	0.3
277.21732	42.8
278.22018	4.0
284.52618	0.2
287.07733	1.6
288.82111	0.2
291.23346	0.4
301.09503	0.2
305.08810	1.7
323.09802	1.0
379.12466	5.7
380.12747	0.5
397.13504	31.6
398.13889	2.7
401.59854	0.2
415.09024	0.4
415.14560	7.9
416.15048	0.6
418.69452	0.2
589.25171	0.6
607.26202	1.3
608.26263	0.3
675.36078	0.3
885.47363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	25.7
68.35078	0.4
68.85080	0.4
69.03319	1.5
70.70301	1.2
71.01250	19.0
72.99181	1.6
73.02811	3.1
75.00751	0.7
78.98474	0.5
79.95594	1.2
80.96393	4.1
81.03333	0.8
83.01265	2.3
83.04883	0.4
83.21137	0.4
85.02817	4.8
87.00742	3.8
89.02318	13.3
94.97993	0.7
95.01262	1.3
97.02834	2.6
99.00758	1.7
101.02321	13.7
111.08123	0.6
113.02328	6.8
119.03384	3.5
125.02349	3.8
127.03907	0.5
131.03384	0.8
143.03397	2.1
148.99065	0.5
161.04459	2.4
164.98602	0.6
165.12749	6.2
179.05510	2.4
183.13826	65.0
184.14191	3.5
207.10329	0.5
209.11833	3.6
221.06662	2.3
225.00748	1.5
227.12833	5.7
235.08150	1.8
277.21710	28.1
278.21918	2.9
338.93204	0.4
379.12259	1.7
397.13464	12.1
398.13782	1.2
415.14520	2.4
416.14481	0.6
525.88300	0.5
528.03772	0.5
607.25800	1.3
625.27100	2.3
626.27039	0.6
867.48010	0.6
885.48413	100.0
886.48651	25.6
889.14124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4826
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98705	100.0
62.98405	0.7
62.99134	0.3
63.99133	0.6
69.03333	0.4
71.01257	5.7
72.99196	0.4
73.02823	1.1
75.00741	0.2
79.95618	0.4
80.96397	0.9
81.03315	0.2
83.01247	0.8
83.04926	0.2
85.02831	1.7
87.00727	1.1
89.02316	4.1
94.97959	0.2
95.01273	0.4
97.02830	0.7
97.06524	0.2
98.10056	0.2
99.00764	0.4
99.04429	0.2
101.02323	3.5
111.04417	0.3
111.08031	0.2
113.02325	1.6
119.03365	0.9
125.02354	0.8
139.03903	0.2
143.03415	0.5
148.99057	0.2
149.04469	0.2
161.04488	0.6
162.69867	0.2
165.12785	1.6
179.05528	0.5
183.13834	13.5
184.14130	1.0
209.11775	0.8
221.06642	0.6
225.00746	0.2
227.12880	1.1
235.08144	0.9
241.00035	0.2
264.79239	0.2
273.32581	0.2
277.21732	14.2
278.22079	1.2
379.12344	0.3
387.63516	0.2
397.13467	3.7
398.13708	0.2
415.14536	0.9
625.26843	0.3
676.54315	0.2
867.46045	0.3
885.48523	29.7
886.31079	0.4
886.48712	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	883.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	100.0
69.03331	2.4
71.01257	5.1
75.42341	1.0
79.95629	1.3
80.96370	2.3
83.01260	1.7
85.02810	5.6
89.02338	3.0
97.06515	1.4
101.02332	2.7
113.02344	2.9
127.11196	2.0
137.09651	3.0
137.62709	1.1
161.04436	2.4
171.10190	28.1
179.05634	1.8
194.91995	1.3
207.10123	2.2
211.13289	5.7
225.11407	1.3
229.14413	3.1
229.41037	1.4
235.08174	4.3
253.09273	18.7
277.21735	45.5
278.22122	3.9
291.19632	3.5
309.20709	12.5
327.21796	59.1
328.22037	3.8
357.33847	1.4
545.29889	6.5
563.30792	10.2
564.31592	1.5
587.43402	1.9
620.45374	1.5
883.46210	1.9
899.31274	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	884.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98400	0.1
62.99130	0.1
66.10123	0.1
67.31194	0.1
68.45317	0.1
71.01254	0.5
73.02815	0.1
78.95750	0.1
80.96404	0.2
85.02826	0.1
87.00774	0.1
89.02328	0.3
97.02843	0.1
101.02324	0.3
113.02311	0.1
125.02353	0.1
165.12787	0.2
165.94925	0.1
179.05562	0.1
183.13843	0.7
201.11295	0.2
202.11737	0.1
207.10234	0.1
209.11737	0.4
210.12195	0.2
210.97443	0.1
225.11320	0.1
227.12888	0.2
235.08231	0.1
239.13565	0.1
255.23244	0.1
256.23700	0.1
277.21741	0.9
293.20874	0.1
294.21457	0.1
397.13541	0.3
398.13773	0.1
456.70377	0.1
494.37146	0.1
557.10370	0.1
628.62909	0.1
756.33527	0.1
837.80176	0.1
856.47339	0.1
884.47040	0.1
885.48181	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	884.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98418	0.2
68.76375	0.1
69.03326	0.1
71.01256	1.3
72.99175	0.2
73.02839	0.2
78.98483	0.1
79.95618	0.4
80.96396	0.9
81.03327	0.2
83.01268	0.1
83.04933	0.2
85.02850	0.2
85.17008	0.1
87.00770	0.3
89.02322	0.8
94.97959	0.3
97.02860	0.6
98.19771	0.3
99.00797	0.1
99.47881	0.1
101.02338	0.9
109.06483	1.2
110.06854	0.2
113.02338	0.4
119.03401	0.1
119.60867	0.1
125.02357	0.4
141.01953	0.1
142.02631	0.1
161.04480	0.2
162.77248	0.1
163.11188	0.8
164.11580	0.3
164.98459	0.1
179.05574	0.2
181.12381	0.1
183.13882	0.2
199.13458	0.1
200.18912	0.1
207.10213	3.2
208.10553	1.1
209.11765	0.7
211.13403	0.1
211.54546	0.1
225.00722	0.2
225.11272	1.3
225.12921	0.1
226.11684	0.4
227.12900	0.5
235.08328	0.2
236.08104	0.1
243.12321	0.1
277.21732	2.0
278.22037	1.1
291.69193	0.1
293.21323	0.1
305.08286	0.1
314.97797	0.1
379.12622	0.2
397.13464	1.5
398.13791	0.6
415.14716	0.4
523.00598	0.1
605.24194	0.2
606.24664	0.2
623.25446	0.2
884.47327	2.5
885.47125	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	885.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35319	0.8
61.98701	4.4
71.01254	39.4
71.54494	1.4
72.99185	3.3
73.02829	5.4
76.26079	0.9
83.01263	4.6
84.02063	1.1
85.02827	16.4
87.00751	7.1
89.02317	17.2
89.02843	1.4
95.01266	4.0
96.95898	2.3
97.02861	1.1
99.00744	2.6
101.02325	19.9
113.01538	1.0
113.02331	17.9
119.03400	6.2
119.04941	1.6
125.02319	1.0
134.03613	1.4
135.08051	3.9
137.02379	1.3
139.00243	1.5
145.02988	0.9
147.04407	3.7
148.05205	1.6
149.05977	2.4
150.06787	3.6
159.02988	1.1
159.04422	1.1
161.04448	1.2
163.07555	74.0
164.07896	3.9
175.03958	1.5
177.68756	0.8
187.03952	0.8
193.04973	1.8
197.05893	1.0
209.11685	1.1
211.13358	1.8
215.07056	1.3
255.02719	1.1
267.06607	1.4
313.56384	0.8
331.22842	1.1
342.07666	1.1
343.08337	2.8
369.15271	1.0
396.39542	1.0
431.31470	1.1
475.34250	11.2
476.34833	1.8
489.45981	1.0
590.93805	1.1
619.38562	38.2
620.38776	5.1
637.39575	100.0
638.39893	16.2
679.40649	51.9
680.40900	10.1
781.43793	10.7
782.44360	2.0
796.19806	1.0
799.44196	5.7
800.45306	1.2
841.45526	6.7
842.46863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	5.0
71.01253	38.8
71.53640	1.2
71.54013	0.8
72.99192	2.3
73.02813	7.2
83.01245	4.8
85.02821	15.5
87.00745	6.1
89.02316	13.8
93.03362	1.6
95.01262	4.6
95.35561	1.0
96.95899	3.1
97.02831	1.6
99.00760	3.1
101.02319	17.2
109.02835	1.3
111.00764	1.2
113.02332	16.8
119.03387	5.3
121.02838	1.2
123.04401	1.1
125.02335	2.9
134.03583	2.2
135.08046	2.2
137.02333	1.9
143.03432	1.9
147.04457	2.2
149.05991	1.7
150.06761	5.6
151.00270	1.6
153.01819	0.9
154.05107	0.8
160.01651	1.1
161.04459	2.2
163.07555	100.0
164.07919	4.7
170.33084	1.0
193.05029	1.8
209.06317	1.0
218.02217	0.9
224.62155	1.0
248.10143	1.0
255.02946	1.9
268.03818	1.7
271.02493	3.4
282.28165	0.9
283.06177	5.4
300.02740	5.7
305.51212	1.0
317.21329	2.1
343.07983	1.9
457.33185	1.2
475.34113	11.1
476.34705	1.8
477.35876	1.4
619.28271	2.0
619.38470	42.9
620.38751	7.1
621.40302	5.8
637.39551	92.2
638.39984	16.0
639.41339	3.1
663.41089	2.9
679.40662	48.8
680.40955	9.4
681.41962	6.1
765.44177	1.6
781.43805	11.3
782.43695	1.4
799.44843	4.5
825.45654	1.3
841.45825	3.6
885.33679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	34.5
66.85774	1.2
67.65357	1.4
67.77521	1.1
69.03317	1.6
71.01253	31.7
72.99167	2.5
73.02808	4.5
78.41089	1.1
80.02527	1.7
80.96375	1.5
81.03321	4.1
82.81107	1.1
83.01219	1.4
83.04867	3.1
85.02824	6.6
87.00739	6.8
89.02322	22.1
93.03297	1.4
95.04903	3.1
97.02837	11.7
99.00732	2.9
99.04388	1.3
101.02316	21.3
107.04915	1.4
109.06474	36.6
110.03632	1.8
110.06845	1.6
111.05142	1.3
113.02350	9.4
115.00258	1.3
119.03382	7.2
119.86039	1.4
121.06459	2.3
123.04357	1.9
125.02342	7.8
125.09570	2.0
131.03333	2.1
135.08038	3.1
136.05206	1.7
141.01787	1.8
142.02580	3.1
143.03395	3.2
150.25871	1.2
161.04453	5.2
161.09555	2.4
163.05815	1.4
163.11203	24.9
179.05525	8.4
179.10628	2.9
181.12228	5.0
189.09102	3.4
199.05872	1.3
207.10197	100.0
208.10579	6.0
209.11700	4.9
211.13341	2.5
221.06573	5.3
225.00714	1.5
225.11273	84.3
226.11612	5.5
235.08170	7.6
243.12239	2.0
253.09297	2.0
277.21710	58.8
278.22250	5.9
287.07727	2.0
293.21121	2.3
299.15182	1.8
305.08890	3.1
310.00024	1.7
323.09595	2.0
356.15396	1.5
379.12329	4.8
397.08414	2.8
397.13486	44.4
398.13730	4.5
406.79977	1.5
415.14603	13.9
454.48758	1.6
456.23547	1.7
587.23285	2.0
605.24634	11.6
606.24591	3.0
623.25458	18.1
624.25964	2.2
883.46832	68.6
884.47223	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	882.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98417	0.1
71.01264	0.4
78.95790	0.3
80.96400	0.4
85.02837	0.1
87.93318	0.1
89.02329	0.2
98.19770	0.2
101.02352	0.2
109.06452	0.2
123.67004	0.1
125.02334	0.1
163.11192	0.2
171.10216	0.2
207.10228	0.3
209.11717	0.1
211.13380	0.2
225.11331	0.2
229.14461	0.1
235.08325	0.3
253.09293	0.4
277.21707	1.6
284.33557	0.1
289.18130	0.2
290.18765	0.1
291.19150	0.1
293.21301	0.4
294.21439	0.5
295.21942	0.2
307.18967	0.1
309.20667	0.3
327.21762	0.9
367.04022	0.1
397.13434	0.2
461.55704	0.1
506.39642	0.1
586.95593	0.1
882.49896	0.2
883.46228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.05693	0.1
62.98401	0.1
71.01250	0.2
78.68559	0.1
78.95792	0.1
85.02844	0.1
87.00758	0.1
89.02335	0.1
97.84053	0.1
98.20547	0.2
101.02345	0.1
106.73769	0.1
109.06476	0.1
125.02394	0.1
175.02380	0.1
207.10226	0.3
209.11797	0.2
211.13425	0.2
225.11336	0.2
255.23395	0.1
256.23682	0.1
277.21634	0.4
278.22314	0.1
288.84973	0.1
289.17896	0.1
290.18283	0.1
302.89734	0.1
397.13602	0.2
883.46722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	6.2
73.02819	2.2
85.02828	4.4
87.00752	12.7
87.45320	0.7
93.03333	1.1
98.02427	0.7
98.19746	1.3
99.00746	2.4
101.02327	3.3
109.02815	2.3
113.02317	2.1
113.90536	0.7
121.02875	4.1
123.00768	3.1
123.28396	0.7
124.01488	1.2
125.02335	2.1
133.02869	0.9
135.04405	2.0
137.02332	3.2
138.03120	4.7
139.03880	1.6
145.02869	1.3
146.03622	2.1
147.04430	7.2
149.02368	0.9
153.05544	1.1
159.04419	28.9
160.05246	5.4
161.02371	7.1
161.04460	2.6
161.05962	10.0
162.03163	4.9
163.03894	4.1
164.04587	0.8
171.04286	0.7
173.02368	2.0
173.05963	7.9
174.03133	3.1
175.03954	8.1
176.04553	1.1
177.01862	1.4
182.52129	0.8
187.03938	1.6
187.07547	1.5
188.04674	1.4
189.05452	3.3
191.03638	1.3
191.05507	10.7
197.05934	1.8
199.03943	1.2
199.07587	1.1
203.03432	4.2
204.04155	2.3
205.04984	2.8
212.04495	0.7
215.07082	2.3
217.04944	0.7
219.02895	0.8
223.04091	0.9
224.04672	1.4
225.05502	18.7
226.05991	1.0
227.07072	1.6
228.04234	1.9
229.47878	0.9
234.05174	0.9
235.07700	0.8
239.03448	0.9
239.06982	1.2
241.05016	2.2
242.05910	1.6
243.06561	3.3
251.03461	2.5
251.07127	4.3
253.05038	18.8
254.05672	3.8
255.06755	0.8
256.03723	1.6
265.05029	0.9
266.05994	1.3
267.06577	2.4
268.03720	1.2
268.07428	1.0
269.04602	9.5
269.07733	1.5
270.05350	4.4
271.06091	27.8
272.06540	2.0
277.05026	3.2
278.05429	1.0
279.03006	3.7
279.06650	4.3
280.03738	1.2
281.04547	13.5
282.05109	2.9
283.06094	1.1
284.06799	3.0
285.07730	3.6
286.08478	22.3
287.09128	2.5
293.04581	0.9
294.05313	1.0
295.06073	4.6
296.03189	2.1
296.06876	3.6
297.04016	10.8
297.07620	9.0
298.04672	1.6
298.08112	1.8
299.06024	1.0
299.09140	5.2
300.09854	1.1
301.10812	22.6
302.11188	1.8
305.04562	2.1
310.08362	1.7
311.05557	2.6
311.09225	3.3
312.06360	10.3
312.10034	9.0
313.07068	3.2
314.07928	2.1
322.04794	2.0
323.05627	5.1
325.07135	8.8
325.10742	1.6
326.07813	6.4
327.08679	32.2
327.12396	14.5
328.09332	5.6
328.12686	1.3
329.10333	7.4
333.09970	1.3
337.07181	2.8
338.07852	3.4
339.05060	1.0
340.05734	1.7
343.11807	5.4
345.09619	1.0
351.10602	0.9
353.10364	7.2
355.08301	5.2
369.09698	2.9
371.11386	8.7
372.11697	0.9
387.10889	1.1
397.09216	9.0
398.09656	0.9
399.07245	2.2
415.10300	1.9
423.07202	1.5
433.11188	1.2
441.08203	5.7
459.09305	10.7
460.09628	1.8
754.77234	0.8
765.06512	0.9
793.26160	1.4
821.25061	1.4
823.23279	5.0
847.23230	4.2
848.21588	0.8
866.23157	0.9
883.25153	100.0
884.25439	19.8
884.42633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	6.2
65.82304	0.7
69.03317	1.5
69.73804	3.9
71.01257	23.8
72.99168	2.0
73.02824	4.4
78.95774	0.7
80.02551	0.9
81.03323	2.1
81.04356	0.7
83.01252	2.6
83.04892	4.0
85.02829	5.2
87.00751	6.8
89.02320	19.0
95.01279	1.7
97.02836	4.1
98.82892	0.7
99.00758	2.3
101.02324	16.6
109.02872	0.9
111.00806	1.0
111.04417	1.0
112.98679	1.5
113.02325	10.4
115.00278	0.9
115.03916	0.6
119.03374	5.1
125.02355	8.3
125.09605	2.4
127.11156	3.2
131.03424	1.1
142.99782	1.9
143.03433	3.3
152.99564	1.1
155.10709	1.4
161.04506	4.6
163.11201	2.9
165.08998	1.0
165.12759	1.5
171.10165	2.4
174.01677	1.9
175.02408	1.8
179.05548	5.1
181.12170	0.8
191.10735	1.0
195.13835	1.0
197.11681	1.2
201.11259	73.5
202.11618	3.8
209.11774	100.0
210.12099	5.4
211.13322	6.3
217.07126	1.6
221.06624	2.0
223.13356	1.0
225.11195	0.9
227.12846	13.2
235.08189	9.0
252.17870	0.7
253.09196	4.3
255.23265	71.0
256.23575	4.9
277.21704	7.8
278.22171	1.1
287.07755	2.2
291.19714	2.0
293.21191	7.2
294.21536	0.8
305.08719	2.8
309.20685	6.6
310.21103	0.7
323.09644	1.1
379.12488	13.0
380.12753	1.1
397.13516	66.9
398.13852	5.4
415.14523	12.7
581.24481	3.1
582.23724	0.9
589.24854	1.5
599.25757	1.7
607.26117	1.8
635.36377	1.3
653.37512	6.8
654.37628	1.2
837.48785	1.5
895.17529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	7.3
69.03339	2.3
70.83618	1.5
71.01257	27.8
72.99197	3.3
73.02826	5.3
83.04896	4.8
85.02830	5.5
87.00758	6.5
89.02322	22.7
97.02807	3.3
98.19855	4.7
99.00731	2.2
99.42609	1.8
101.02332	20.7
111.08036	3.1
113.02331	11.2
119.03401	6.0
125.02322	8.7
125.09605	3.7
127.11156	3.5
139.03873	1.7
143.03448	3.6
161.04468	7.5
163.11206	4.1
165.09142	2.3
165.12796	2.7
171.07726	1.9
171.10175	3.0
174.01544	2.3
179.05502	6.6
195.13837	5.8
197.11760	19.4
201.11259	82.6
202.11554	4.4
209.11778	100.0
210.12129	6.1
211.13335	6.2
221.06628	2.1
223.13319	2.4
227.12849	13.7
235.08131	8.3
253.09267	18.5
255.23274	81.3
256.23654	7.2
275.20111	3.3
277.21786	7.8
287.07806	2.2
291.19788	6.3
293.21231	58.3
294.21631	4.4
305.08905	1.9
309.20721	35.6
379.12549	13.9
397.13504	74.0
398.13666	5.6
415.14587	15.2
581.24054	2.1
622.01306	2.1
635.37146	2.0
653.37512	10.6
861.46509	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	879.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	2.7
69.03309	2.5
71.01260	22.1
72.99171	1.4
73.02816	4.8
78.95777	1.5
83.01245	1.7
85.02823	4.6
87.00754	4.3
89.02314	14.2
95.01290	1.8
95.04929	1.8
97.02817	6.3
97.06458	3.1
98.20585	3.8
99.00729	4.9
101.02332	10.1
109.00291	1.3
109.06421	1.9
110.85159	1.6
111.00829	1.5
113.02334	7.0
118.05003	1.4
119.03374	1.9
123.08065	1.9
125.02309	4.0
125.09600	5.3
127.11230	1.6
142.02603	1.4
143.03366	2.9
159.28123	1.4
161.04459	3.9
163.11253	6.9
165.04507	1.5
165.12753	1.9
171.10188	14.5
180.95816	1.6
181.12277	5.7
185.11758	3.7
191.14282	2.6
191.66222	1.4
195.13791	8.0
197.11710	5.1
201.11243	7.8
207.10191	17.4
209.11719	9.4
211.13205	1.5
223.13391	7.1
225.11298	28.2
235.08235	4.0
237.11311	2.1
243.12361	7.8
245.18993	6.5
253.09282	22.6
255.23279	39.0
256.23679	3.0
275.20203	7.4
281.38989	1.6
289.18097	45.0
290.18420	2.2
291.19531	7.2
293.21216	100.0
294.21579	6.6
307.19150	39.7
308.19476	3.3
309.20804	2.2
321.91373	1.5
379.12778	3.4
397.13425	12.4
398.13727	2.5
415.14279	3.4
525.26996	2.7
543.28375	1.8
605.23639	2.1
623.25018	2.7
653.37244	1.6
756.56610	1.5
861.48743	20.0
862.48370	5.3
879.49933	9.8
880.49554	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	881.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.9
67.01755	0.8
68.99699	2.0
69.03322	0.5
71.01255	39.8
71.45668	0.5
71.45999	0.7
72.01575	0.6
72.22718	0.4
72.99176	1.5
73.02818	7.5
75.00311	0.6
75.00745	12.5
83.01254	5.5
85.02826	27.0
85.99982	1.1
86.03172	0.7
87.00745	5.0
89.02320	6.3
91.59260	0.4
95.01266	4.2
96.95874	0.9
97.02809	0.9
99.00754	13.9
101.02330	3.9
111.00793	0.6
113.02328	13.0
119.10355	0.4
124.05312	0.5
130.99800	0.5
131.03397	14.0
131.04384	0.7
139.00243	1.2
147.04419	1.0
149.04436	1.1
157.01303	1.0
167.77199	0.5
171.10178	0.5
191.05548	5.4
209.11787	1.2
299.05887	0.4
439.35818	3.3
509.39972	3.5
510.40442	0.5
553.39288	1.1
581.37897	0.6
700.90649	0.5
863.48132	1.8
880.48273	0.8
881.49017	100.0
882.49469	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	881.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03625	1.3
61.03952	1.3
61.98705	13.0
69.03309	2.0
69.14696	1.2
69.53257	1.3
70.76360	2.5
70.76691	1.7
71.00899	2.2
71.01255	28.4
72.99174	3.6
73.02835	2.2
76.24909	1.4
78.95770	5.9
80.96363	2.1
81.03316	2.5
83.01251	2.6
83.04898	4.7
85.02818	6.5
87.00757	8.7
89.02314	22.3
94.42490	1.3
97.02816	4.8
101.02323	20.7
111.04406	2.0
113.02332	12.2
115.00256	1.3
118.02348	1.3
119.03387	5.4
125.02343	7.9
125.09592	3.4
127.11182	3.4
143.03398	3.8
152.99512	9.8
161.04442	4.4
163.11215	1.9
165.09090	1.4
165.12799	2.5
167.14162	1.3
171.10164	5.7
179.05515	5.7
197.11745	3.6
201.11258	79.8
202.11533	2.9
209.11780	100.0
210.12100	6.8
211.13271	6.0
217.07051	1.8
221.06593	2.2
225.11275	1.9
227.12839	15.5
235.08197	10.0
247.71939	1.4
253.09229	5.7
255.23270	85.4
256.23657	7.3
263.73810	1.4
275.20151	3.7
277.21744	6.7
279.23315	1.8
288.37982	1.4
291.19574	5.4
293.21274	14.2
309.20819	7.6
323.09698	1.9
379.12344	13.0
397.13522	69.0
398.14081	6.8
399.14008	1.5
415.14474	14.9
433.23663	3.3
545.29675	1.6
581.24554	2.0
589.25104	1.9
599.25360	1.7
635.36694	2.3
653.37311	9.1
654.37842	2.4
687.98523	1.5
688.92883	1.6
837.47784	1.9
881.45074	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	879.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	6.8
67.31828	1.4
68.99693	2.1
71.01263	10.8
72.99164	5.0
73.02810	4.2
75.00746	42.8
83.01243	2.3
85.02822	22.6
87.00753	6.7
88.98685	3.1
90.36062	1.3
92.38644	1.4
95.01273	2.5
98.20660	3.5
99.00749	3.7
101.02334	2.1
103.31583	1.7
113.02345	13.2
114.43549	1.5
121.02805	1.8
130.99800	2.0
144.87863	1.5
154.06116	2.8
157.01283	1.9
168.15874	1.5
171.10158	1.9
175.82068	1.6
188.56479	1.4
191.03578	1.7
209.11653	2.0
243.32870	1.5
351.10803	1.5
396.58054	1.5
455.35089	4.9
456.35004	2.7
497.36588	2.1
527.56830	1.5
569.38312	6.5
631.38690	13.9
632.38800	2.7
673.39655	3.6
835.44904	100.0
836.45453	18.7
879.46356	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	879.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.9
65.30405	0.5
69.03322	1.4
69.22942	3.8
69.23368	1.6
71.01250	17.7
71.04890	3.8
72.01611	0.6
72.99173	1.8
73.02820	2.7
75.00739	0.9
78.09246	0.5
81.03326	0.8
83.01251	1.9
83.04907	1.1
85.02828	4.9
87.00758	3.2
89.02324	11.3
95.01245	1.3
95.04890	1.0
97.02831	6.1
97.06457	1.7
99.00753	11.2
101.02316	11.3
109.06428	1.5
110.03612	0.8
111.04380	0.8
113.02330	6.5
119.03374	2.7
123.08026	1.6
125.02328	3.6
125.09631	4.5
142.02594	1.4
143.03424	1.1
153.12805	0.7
161.04500	1.7
161.83546	0.6
163.11186	6.9
171.10181	6.6
179.05560	1.3
181.12268	10.7
182.12564	0.7
197.11771	2.2
199.13333	9.7
201.11247	2.1
207.10205	23.5
208.10513	1.9
211.13301	0.9
220.27858	0.7
221.06543	1.8
225.11269	40.2
226.11601	2.2
235.08180	2.0
243.12363	9.3
253.09303	1.5
255.23264	53.8
256.23654	4.7
289.18048	2.4
291.19577	3.0
293.21173	2.6
305.38568	0.6
307.19055	1.2
309.20663	1.0
379.12289	2.2
397.13516	9.5
398.13693	1.0
415.14575	2.1
437.61142	0.6
605.24365	2.2
623.26038	1.7
653.37640	0.9
784.84857	0.7
861.48431	13.3
862.48694	2.6
879.49554	100.0
880.49866	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	879.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	4.5
63.59864	2.0
69.37581	13.1
69.37993	5.1
71.01257	22.9
71.04887	3.1
80.96380	3.5
85.02780	2.8
87.00764	2.6
89.02334	5.8
92.95190	2.1
97.06463	3.4
101.02337	5.2
125.09643	2.7
149.73964	2.3
151.11163	3.8
153.09102	2.6
154.09258	1.8
165.12698	6.4
171.04929	2.0
171.10156	6.3
177.12863	3.9
181.12251	4.6
191.10751	2.5
195.13910	6.4
197.20413	2.0
209.11742	15.8
211.13336	2.7
223.13290	4.7
225.11295	3.3
227.12859	6.2
235.08206	6.3
245.19167	5.0
253.09285	17.5
255.23294	9.9
263.20184	8.6
275.20093	7.1
277.21741	11.6
287.16290	3.7
289.18121	12.7
293.21231	100.0
294.21573	4.8
305.17471	3.2
307.19159	40.8
308.19525	3.5
397.13446	3.2
445.20724	6.9
525.27881	2.3
543.28180	9.4
721.41492	5.1
736.40076	2.9
819.48743	6.0
820.48944	2.7
824.30176	2.4
879.48511	12.3
880.48663	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	875.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.9
65.07432	1.3
69.03323	3.4
71.01254	7.2
73.02795	2.5
75.00742	2.3
79.08826	1.4
85.02791	2.7
87.00746	8.3
89.02317	3.4
95.01249	2.0
96.95884	2.8
98.20589	3.0
99.00748	1.8
101.02313	6.0
103.73961	1.4
108.01986	2.4
109.02871	1.8
113.02322	4.0
119.04920	1.6
121.02868	2.2
130.99672	1.7
133.02853	2.0
134.03526	1.3
135.04381	2.4
137.02333	6.8
139.03899	2.5
145.02878	2.1
146.03621	5.8
147.04427	25.3
148.05132	6.4
149.06007	11.4
159.04405	11.8
160.05099	2.4
161.05997	4.8
165.03915	4.5
165.05261	2.1
165.12741	1.3
171.04472	1.3
172.05246	9.1
173.05969	20.5
174.03191	3.4
174.06696	4.4
175.03879	3.8
176.04460	1.9
183.13802	2.1
185.06018	9.9
186.06764	12.0
187.03946	20.0
187.07533	6.1
188.04692	2.2
188.08408	3.5
189.05482	5.5
190.02663	2.0
191.03348	2.3
191.10741	1.6
192.04239	4.1
193.04947	6.3
196.05261	10.7
197.05959	6.6
198.06761	5.2
199.04008	2.9
199.07571	6.5
200.04755	2.9
200.08278	5.0
201.05525	10.5
201.09067	1.9
204.04071	2.1
209.06055	2.8
209.11804	7.4
211.07582	2.0
211.13333	17.4
212.08376	2.4
213.05482	7.9
213.09117	1.7
214.06302	13.2
215.07100	6.8
216.07889	10.8
217.08470	1.3
218.05817	2.4
223.07564	2.3
225.05450	2.3
226.81209	1.3
228.07628	1.5
241.12286	2.8
253.09000	1.6
255.13849	2.4
260.06952	2.0
267.13693	1.8
269.12006	2.5
269.15298	3.2
283.13403	5.1
285.14932	3.6
295.13382	9.2
295.16910	3.8
297.15009	34.0
297.18469	3.0
298.15198	2.5
298.98645	1.5
299.13263	1.6
300.13733	1.9
301.14505	3.3
311.12802	4.6
311.16528	8.8
312.13397	2.0
313.14346	3.9
313.18161	4.4
315.15997	6.7
321.14966	10.3
323.16544	13.7
324.16742	1.6
339.09402	1.6
339.15985	39.2
340.16254	4.5
341.17615	27.1
342.17807	3.2
343.08456	2.0
357.17139	6.9
359.18607	3.7
367.15665	3.8
373.41614	1.5
385.16483	4.1
575.25464	1.6
593.26141	2.2
595.27557	4.2
639.26373	2.9
746.34320	2.2
769.38556	2.5
787.38800	17.0
788.39166	3.8
813.36694	4.1
831.38086	23.6
832.38666	4.2
857.35834	10.5
858.35748	2.4
875.37030	100.0
876.37390	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	1.1
63.15408	0.2
67.01753	0.9
68.99696	3.2
69.03329	5.6
69.41722	1.6
70.03660	0.3
71.01254	25.0
72.01574	0.3
72.99182	2.0
73.02814	2.7
73.29092	0.3
75.00749	19.0
81.03345	0.5
83.01254	4.5
84.82967	0.2
85.02827	15.8
85.99991	0.6
87.00764	0.8
89.02319	9.2
92.06053	0.3
95.01255	3.6
97.02832	7.7
98.19832	0.5
99.00758	15.8
101.02335	1.8
103.00232	0.4
111.00754	1.1
112.01540	0.6
113.02337	7.4
115.00239	0.5
116.92731	0.8
121.13789	0.2
125.02340	13.7
126.02670	0.6
129.01842	0.8
131.03342	0.5
137.11412	0.2
139.00266	0.4
147.04457	0.3
157.01283	1.4
178.77550	0.2
211.13477	0.3
342.63763	0.4
433.11621	0.3
465.37265	0.6
565.38983	0.7
681.44067	0.4
725.42023	0.7
729.94287	0.3
775.46710	0.4
875.48010	100.0
876.48346	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	8.2
70.42539	8.7
71.01233	3.9
88.98679	5.1
89.02333	5.1
103.19471	2.4
113.02350	5.3
163.03807	3.2
170.45856	2.7
171.10185	9.3
195.13852	4.6
211.13345	5.3
229.14503	8.3
235.08192	10.9
235.31015	2.7
241.79829	2.9
253.09261	51.6
269.39230	2.7
275.20364	4.4
291.19659	4.2
293.21228	100.0
294.21677	9.7
309.20621	5.8
309.91986	3.0
327.21768	76.4
328.22180	4.9
508.08685	2.9
529.30170	8.1
545.29736	10.4
563.30719	20.9
839.51331	13.7
875.49835	38.7
876.49438	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	877.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	6.7
71.53965	5.7
82.32430	4.1
87.00758	6.2
89.02358	4.6
89.35048	3.7
91.01797	4.2
93.76378	4.1
99.00806	4.2
101.87151	4.1
108.02064	11.4
109.02856	12.6
119.04904	5.5
121.02863	7.0
122.03599	5.9
123.04388	7.1
125.02301	6.8
134.03659	8.1
135.04468	3.9
137.02347	12.0
146.03662	5.4
147.04393	11.6
149.02376	25.2
149.06097	4.7
151.00250	7.7
153.76659	5.0
159.04417	100.0
160.05034	18.5
161.02307	7.5
161.06030	22.2
173.06030	23.2
175.00317	4.4
177.01845	12.5
187.03951	4.6
191.03490	8.5
191.05461	6.2
193.05022	6.2
241.05023	8.8
251.07120	5.0
256.07431	4.5
265.05103	4.8
266.05774	9.6
267.06665	19.0
279.06546	9.9
280.07376	5.5
281.08368	8.9
282.08813	33.3
284.03275	7.3
295.09607	5.3
297.07834	8.6
297.11322	46.7
299.05573	8.4
300.02786	6.5
307.05923	7.0
308.06818	5.3
309.03979	6.6
323.09201	9.6
327.05017	26.6
328.12869	5.8
341.10193	22.1
345.05988	7.6
357.06216	4.9
367.08170	21.3
369.06174	11.2
385.09143	25.3
386.09805	4.8
389.18216	18.2
392.77585	5.2
411.07074	26.2
429.08441	32.1
447.09378	15.0
461.11096	6.2
497.05099	4.4
516.41656	4.8
555.92297	4.6
859.21484	5.0
876.22900	6.6
877.21704	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	879.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23335	0.4
69.03320	0.8
69.18403	3.3
69.18809	0.8
69.68525	0.4
73.02809	0.8
81.03323	0.4
86.32199	0.4
87.00771	0.6
95.04874	0.7
97.06481	1.2
101.02332	3.6
109.02850	0.8
113.50276	0.4
135.04456	0.5
137.02365	2.1
139.03929	0.6
144.07469	0.4
146.03680	0.8
147.04442	8.9
148.05196	1.8
149.06004	0.8
159.04454	5.3
160.05202	1.2
161.05968	2.4
163.03888	0.4
163.07523	1.4
169.02849	0.4
172.05229	9.3
173.06000	14.0
173.09494	0.6
174.03226	0.5
174.06674	1.9
175.03958	1.1
175.07568	1.7
176.04698	3.3
183.04443	0.5
185.06061	0.5
186.06827	2.2
187.03911	1.7
187.07591	9.1
188.04684	0.5
188.08311	1.6
189.05521	4.4
189.09128	3.8
190.05952	0.6
192.04202	1.7
196.05283	0.6
197.05995	4.7
198.06796	3.3
199.07597	0.8
200.04745	1.1
201.05486	5.3
201.09145	20.4
202.06053	0.4
202.09583	1.2
203.07071	1.2
204.04196	1.5
204.07872	10.4
205.08444	0.4
209.05861	0.5
209.09628	0.9
211.07585	1.1
212.08360	1.6
215.07098	9.1
216.07849	8.7
217.05075	0.7
217.08305	0.6
217.12341	1.3
225.09138	3.4
227.10739	23.6
228.10954	1.9
229.08742	2.2
230.09138	0.6
236.03329	0.7
242.10429	0.5
243.10242	0.7
245.11810	19.4
246.12054	1.8
248.26810	0.4
260.06915	1.1
267.68655	0.5
271.09723	3.9
272.10260	0.5
289.10825	23.0
290.11215	1.6
333.09808	100.0
334.10132	9.4
343.08194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.5
67.01774	0.3
69.03334	4.8
71.01257	13.8
71.04884	1.0
72.99189	1.6
73.02827	2.5
81.03339	0.6
83.01250	1.6
83.04899	0.7
85.02832	3.6
87.00753	3.0
89.02322	10.3
95.01273	1.2
97.02834	2.5
97.06483	0.7
98.20618	0.6
99.00762	1.0
99.04427	0.4
101.02321	9.9
111.00795	0.6
111.04420	0.6
113.02338	4.1
119.03412	2.3
121.02884	0.5
123.08054	1.3
125.02332	2.2
125.06049	0.4
125.09599	2.3
131.03345	0.4
141.01906	0.5
143.03387	1.2
151.11180	2.9
153.12811	0.8
156.36829	0.4
161.04485	1.3
161.09657	3.0
169.12277	0.4
171.10150	0.4
179.05531	0.9
179.10692	5.4
197.11769	35.7
198.12109	2.2
207.10085	0.3
209.11787	2.8
221.06564	1.7
223.09698	1.1
229.34795	0.4
235.08186	1.1
241.10826	2.1
255.23273	46.1
256.23615	3.6
269.24860	1.7
277.21796	0.5
291.19806	0.4
397.13446	4.0
415.14664	1.0
427.62735	0.4
553.36981	0.4
621.24200	0.4
844.87787	0.3
877.48016	100.0
878.48285	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45045	0.5
63.79907	0.4
67.10506	0.4
69.18434	1.0
69.18845	3.4
78.10055	0.4
87.00742	0.6
95.01256	0.5
108.22878	0.4
147.04387	0.5
148.01567	1.0
158.03540	0.4
183.04486	1.0
187.03909	1.2
199.03941	1.9
203.03476	0.9
209.24678	0.5
211.03957	1.9
212.04703	0.9
213.01955	0.5
215.03432	0.8
223.05945	0.8
227.03439	6.9
229.01343	0.8
231.02843	0.8
240.04095	0.5
243.02943	3.0
253.01421	0.5
255.02940	5.2
256.03729	1.0
257.00906	0.6
268.03775	0.5
269.04507	0.5
270.01593	0.9
271.02469	28.0
272.02792	1.7
281.00827	0.6
283.02539	6.4
283.05652	0.7
284.03262	50.4
285.03601	4.2
289.73050	0.4
297.04102	1.9
298.04602	0.9
299.01974	56.6
299.05597	69.8
300.02313	4.0
300.05948	5.1
306.05435	0.5
314.04315	22.0
315.04645	2.4
321.07751	0.6
326.04306	0.7
329.06656	100.0
330.07028	8.6
341.06668	6.8
342.06934	0.7
355.46722	0.4
355.57001	0.4
365.06677	0.7
795.63666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	1.0
65.00198	0.8
69.28945	2.1
69.29367	1.3
72.01006	0.3
75.32851	0.3
75.99583	0.4
83.01266	1.1
85.02828	0.5
87.00767	1.4
90.95752	0.4
93.03333	4.7
99.96301	0.4
101.02366	0.5
107.01273	1.6
108.02105	0.4
108.59182	0.4
109.02834	0.5
113.02326	0.4
117.03344	16.2
118.03739	0.5
119.04922	2.1
122.33516	0.4
125.02337	0.4
132.02061	1.1
134.03648	0.9
135.00760	1.2
136.22189	0.4
137.02335	6.6
145.02855	31.8
146.03247	0.8
147.04413	1.5
148.05244	0.4
149.02356	0.4
149.05989	0.9
151.00279	5.5
152.01086	0.9
159.04446	0.5
161.02330	0.9
161.04533	0.4
162.03229	0.4
163.00293	1.3
163.03952	1.3
164.01064	0.7
169.01344	0.9
169.06485	0.4
175.03923	0.4
178.99763	2.1
182.03641	0.5
183.04407	1.2
185.02303	0.4
185.06004	0.7
187.03905	0.9
191.05472	0.4
193.04996	1.4
196.05400	0.4
199.03918	0.8
211.04027	2.7
212.04826	0.4
213.05527	0.9
223.27467	0.4
227.03447	35.2
228.03864	3.0
229.05077	2.6
239.03537	1.2
241.05029	1.0
243.10141	0.4
255.02963	72.4
256.03571	10.2
257.04504	2.7
269.04315	0.4
283.02496	3.5
284.03256	100.0
285.03946	30.1
286.04282	2.3
310.39096	0.5
313.03635	0.5
313.11206	0.4
327.05075	1.0
349.09393	1.2
351.10858	0.6
575.13971	0.5
597.23206	0.4
665.28040	1.2
707.18256	4.2
708.18048	0.8
725.19336	27.2
726.19910	3.9
751.17365	1.2
871.22943	40.9
872.23206	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	871.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	5.3
71.01254	15.5
71.08820	3.5
72.99187	2.1
73.02831	2.0
78.95750	2.1
79.75359	1.5
85.02821	3.4
87.00739	3.6
88.61179	1.5
89.02320	11.2
97.06475	2.2
101.02316	10.7
113.02339	4.2
119.03405	3.0
125.02357	2.3
140.84766	1.4
151.11183	10.5
153.13748	1.4
168.57483	1.5
169.10811	2.8
169.12263	56.8
170.12622	2.5
213.11226	9.6
221.06543	2.2
276.39429	1.4
277.21692	17.1
278.22037	2.7
280.21686	1.6
397.13388	5.9
597.00684	1.6
871.46893	100.0
872.47235	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.9
69.03320	1.2
70.00239	1.1
71.01254	33.6
71.54183	1.7
72.99172	1.6
73.02821	7.1
75.00720	1.0
75.30087	1.2
83.01255	4.7
85.02822	14.5
87.00762	5.4
88.98694	1.6
89.02306	9.4
95.01256	3.4
95.04922	1.3
96.95879	5.4
97.02835	1.3
99.00754	3.4
100.52932	1.2
101.02316	15.1
111.00755	2.6
113.02345	12.7
116.92725	1.7
119.03400	4.4
124.01553	1.6
125.02362	1.6
125.09619	1.3
135.08078	2.7
137.02379	2.5
147.04378	3.2
149.06041	1.8
150.06744	2.5
161.37543	1.3
163.07556	100.0
164.07925	10.2
165.76100	1.1
171.10159	3.2
191.05635	1.3
193.04919	1.6
197.11739	3.4
199.09778	1.3
209.11809	1.2
211.13351	5.2
227.03555	1.2
253.09283	4.2
255.03030	5.1
283.02429	2.1
284.03244	4.7
285.03928	1.8
309.20892	7.3
325.20285	1.5
327.21823	1.6
343.08444	2.0
343.21252	8.9
344.21765	1.8
397.13339	2.2
461.36310	10.4
588.98761	1.3
605.40540	31.3
606.40985	6.8
607.41199	1.8
623.41602	83.7
624.41937	16.5
625.41730	1.4
665.42694	42.1
665.54132	2.0
666.43188	9.8
667.43048	2.3
767.45435	7.4
768.46008	2.9
785.46246	6.4
786.47266	2.4
827.48102	6.0
828.46765	1.5
871.33502	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	871.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01655	1.2
61.98710	3.4
62.29848	1.1
63.67709	1.0
71.01254	30.8
72.87957	1.1
72.99187	1.2
73.02822	7.8
75.00745	1.6
75.23573	1.1
78.95764	1.0
83.01257	5.4
85.02829	16.1
87.00755	4.4
89.02298	6.8
95.01276	3.4
96.25317	1.3
96.95885	5.9
99.00764	3.5
101.02319	13.4
107.01237	1.2
113.02342	15.3
116.92748	1.7
119.03360	2.6
122.90059	1.1
125.02333	2.3
130.99773	1.2
135.08046	2.2
137.02327	2.2
143.03426	1.2
147.04411	1.7
149.05902	1.9
150.06789	2.4
152.00905	1.3
156.52357	1.3
157.38353	1.2
159.02798	1.4
161.04431	2.3
163.07558	100.0
164.07901	8.7
171.10187	2.8
187.07571	1.2
189.36465	1.2
193.05002	1.4
197.11786	3.2
209.11833	1.9
211.13289	3.6
219.03000	1.1
227.03444	5.9
253.09181	5.4
255.02959	14.6
283.02426	9.4
284.03180	15.2
285.03906	4.2
291.19611	2.3
300.02762	1.8
309.20816	5.4
312.03067	1.3
313.03427	2.4
325.20160	1.8
327.21503	1.7
343.08170	3.4
343.21182	7.4
461.36536	5.8
462.36914	2.5
605.40607	33.1
606.40594	10.7
607.41028	6.7
623.41632	70.4
624.42151	13.5
625.41974	3.3
649.42432	1.8
665.42688	60.5
666.43152	12.9
667.43237	7.5
709.43237	1.3
767.46393	7.4
768.46216	2.0
785.46820	5.1
826.02148	1.8
827.47668	4.6
871.33972	8.5
872.34210	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	871.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	4.1
69.03340	1.4
71.01254	25.3
71.52982	1.0
71.53393	1.4
72.99165	1.6
73.02824	6.1
75.00751	1.2
78.58067	1.2
78.95795	1.1
83.01270	3.6
85.02822	14.4
87.00728	5.8
89.02312	8.6
95.01275	2.5
96.95888	20.1
96.96837	1.3
97.02847	1.8
97.06454	1.1
99.00757	2.7
101.02325	14.2
109.06467	2.9
111.00789	1.8
113.02338	10.2
119.03397	2.6
121.02896	1.0
125.02349	1.3
125.09599	1.4
131.03464	1.2
135.04390	1.3
135.08051	3.1
143.03459	1.3
147.04405	3.1
149.02473	1.2
149.05927	2.0
150.06750	3.0
160.34924	0.8
161.04500	1.8
163.07555	100.0
164.07895	5.0
171.10214	8.8
171.88559	1.1
183.13765	0.9
193.04933	1.4
197.11771	6.3
199.13423	1.1
205.12329	1.1
209.11749	3.2
211.13374	7.8
215.25214	0.9
227.03459	3.0
227.12939	1.0
229.14435	2.5
235.08054	1.8
253.09290	8.2
255.02940	5.2
256.03482	1.0
284.03201	6.3
285.03955	2.1
291.19571	1.2
309.20712	3.6
313.07062	1.5
325.20200	18.0
326.20605	1.7
327.21732	19.3
328.22134	2.0
343.08359	2.3
343.21454	2.2
358.04877	0.9
450.58344	1.0
461.36368	8.1
462.36563	1.1
561.28632	1.2
563.30658	1.7
605.40601	33.7
606.41150	4.3
623.41608	78.6
624.42010	16.0
665.42682	39.8
666.42908	8.2
767.45911	9.1
768.46759	1.1
785.46625	4.8
786.48425	1.5
827.47833	3.2
871.34424	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	875.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66167	0.7
67.01752	1.8
69.03301	1.1
69.32410	2.2
69.32827	4.2
71.01273	4.2
73.02827	1.0
83.01260	1.4
85.02819	2.1
87.00748	6.1
89.02328	4.4
89.30695	0.7
93.03345	1.4
95.01266	18.5
97.02789	1.2
97.06452	1.7
99.00755	3.5
101.02329	1.4
103.40024	1.0
107.01267	17.5
107.04900	1.0
108.02072	1.8
109.02845	2.2
109.99942	1.1
111.00764	2.1
117.03329	1.3
119.04914	1.8
121.02856	4.1
122.03632	3.3
123.00765	17.1
123.04395	1.2
124.01559	30.9
125.02403	5.1
128.38837	0.9
130.99792	1.0
131.04895	1.1
133.02858	1.8
134.03627	2.1
135.04422	1.4
137.02347	10.9
137.49158	0.8
138.01880	6.0
139.02217	1.2
139.03920	2.7
145.02835	4.7
146.03604	3.5
147.03299	1.5
147.04425	19.8
148.05208	7.2
149.02333	3.9
149.04486	1.8
149.05972	6.7
150.03090	1.0
151.00272	56.5
152.01067	21.5
153.01849	3.7
159.04430	13.2
160.04886	1.4
161.02374	3.7
161.05977	1.9
163.03877	4.8
164.04716	1.2
165.05376	1.2
169.01340	4.9
173.02293	1.3
173.04539	1.2
173.05954	1.6
174.03149	2.0
175.00243	0.8
175.03896	4.5
175.07587	1.8
177.01846	6.5
183.11166	0.7
187.03879	4.6
188.04431	0.7
189.01817	1.3
190.02660	1.1
191.03400	3.4
191.05524	2.5
192.04207	4.7
193.05048	4.1
197.96083	0.9
201.09093	1.4
203.03436	1.7
205.01328	0.8
215.06992	0.7
217.01363	2.7
218.02097	1.9
219.02942	11.5
219.10170	1.9
227.03430	1.5
229.08601	2.1
231.02966	9.0
236.03163	1.8
237.03963	4.6
249.05576	0.9
251.07382	1.0
253.04968	1.4
255.02977	1.4
255.06294	0.8
258.01767	1.2
269.04407	1.0
270.01746	1.1
270.05099	0.9
271.02551	1.5
273.07492	1.6
277.05008	1.9
278.05789	1.6
279.06540	2.8
280.07227	1.1
282.05405	0.9
284.03152	2.1
285.04047	2.5
286.01370	1.1
289.10928	1.1
293.04425	1.0
293.07999	0.9
294.05399	0.9
295.06195	1.2
296.06879	1.1
297.04269	0.9
297.07660	2.5
298.08173	1.0
299.05533	1.1
300.02664	1.2
301.03589	11.1
301.06937	1.7
302.03809	1.4
307.06174	1.1
307.09531	1.0
309.04025	1.3
309.07425	0.9
310.04706	1.3
311.09250	0.8
312.09894	1.1
313.03519	8.8
315.05109	1.5
316.05969	7.5
317.06161	0.9
320.34720	0.9
323.05600	3.1
324.06244	3.0
325.07214	6.1
327.05042	3.4
328.05859	3.3
328.12665	1.7
329.06705	2.1
331.08234	5.5
337.07019	1.1
338.07941	2.1
339.08643	8.9
339.12326	1.4
340.09317	2.9
343.08157	13.6
344.08923	8.6
345.09644	2.5
351.10867	12.4
353.10309	2.6
354.10382	1.1
355.11938	3.0
369.06085	2.9
369.11856	8.9
371.11771	1.0
379.08014	1.0
381.05948	1.2
383.07724	2.9
384.08313	1.9
395.04041	5.0
396.08472	2.0
397.09033	1.8
399.10696	2.6
410.06128	1.7
411.10962	8.2
423.07083	0.9
424.07596	1.6
425.08585	4.3
427.06686	5.0
428.06830	1.5
437.08548	1.0
493.15335	1.3
498.01572	0.9
537.13989	13.8
538.14172	1.9
563.11926	100.0
564.12311	15.7
581.12958	41.6
582.13336	7.6
747.70215	0.9
857.20770	4.5
858.21637	1.2
863.23743	1.0
875.22266	24.1
876.22211	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	871.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31247	1.3
71.01263	3.8
71.53855	1.8
87.00772	2.3
89.02332	4.0
93.48196	1.3
110.15819	1.5
113.02273	1.5
121.09069	1.5
135.04395	1.9
147.04408	14.2
147.06520	1.5
159.04483	1.9
161.02408	2.6
163.03842	1.4
173.06120	1.4
175.03914	1.5
187.03862	1.8
189.01906	2.9
191.03435	21.4
192.03780	1.7
225.05594	1.9
241.05029	1.4
252.04240	2.1
265.05347	1.5
268.03775	5.1
271.02417	1.8
277.05167	1.8
280.03671	1.4
282.05429	1.6
284.03290	2.8
285.03860	2.0
295.05865	1.3
297.04037	3.4
312.02808	5.1
313.03476	3.9
323.05823	1.7
327.05225	2.9
328.05957	1.8
342.07422	19.6
343.08258	3.4
344.06924	1.9
354.05173	1.5
355.06125	1.7
359.05832	1.4
371.05566	3.2
372.06277	2.5
377.06534	1.6
387.08929	2.7
388.05624	1.5
398.04187	2.3
399.04660	3.7
400.05453	2.1
403.08365	1.6
413.06638	5.2
426.03864	1.4
427.04211	1.6
431.07599	3.2
441.06073	9.1
442.06876	1.6
444.04352	2.0
448.07971	2.1
455.07428	1.6
456.08328	5.0
457.09509	3.0
459.07169	20.2
460.07562	3.1
461.12299	1.5
471.11017	8.5
473.08749	6.2
474.09253	7.4
475.07959	1.3
488.10742	1.6
489.11966	25.3
490.12302	2.6
503.06226	22.2
504.06509	2.9
515.88623	1.4
518.08569	3.4
529.04260	1.5
532.09882	1.8
533.10901	100.0
534.11249	16.3
559.08899	9.0
575.11810	3.2
577.09869	63.9
578.10272	11.1
715.68066	1.5
827.20215	13.5
828.21039	1.8
853.18134	5.3
871.19165	23.3
872.19409	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	871.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55125	0.2
68.78158	0.2
69.75014	0.8
71.01265	1.4
72.99169	0.3
73.02801	0.6
85.02823	0.2
87.00759	0.2
89.02323	1.8
98.19868	0.2
99.00764	1.0
101.02304	0.8
113.02274	0.2
117.03252	0.2
119.04891	0.3
121.02866	0.3
127.99848	0.2
131.03375	0.3
137.02275	0.3
145.02831	0.6
147.04405	0.3
149.02324	0.3
149.04434	0.5
150.03088	0.3
151.00279	0.2
160.01663	0.2
160.90038	0.2
161.02322	0.2
163.03976	0.3
165.05515	0.2
175.03922	0.3
187.03860	0.2
190.02626	0.2
191.05461	0.4
193.01375	0.2
193.04982	0.4
199.03877	0.2
201.11275	0.3
203.03474	0.2
223.03970	0.3
223.06062	0.5
227.03445	2.0
229.01305	0.4
229.04845	0.3
244.65147	0.2
251.03639	0.2
255.02969	2.9
256.03485	0.6
267.03104	0.3
267.06772	0.2
284.03296	4.6
285.03903	1.5
295.02499	0.4
339.01633	0.2
342.04883	0.2
343.08188	0.5
358.04807	0.6
370.04782	0.5
386.04291	0.6
387.04739	0.2
397.03250	0.3
397.13388	0.2
398.03970	0.2
414.03674	1.1
415.04395	0.6
417.02411	0.4
418.02960	0.3
429.06216	0.8
430.03333	0.8
439.05139	0.2
442.03171	0.8
457.05695	4.0
458.05966	0.7
469.01846	0.2
471.07382	0.3
475.06903	0.3
485.05023	0.6
486.02319	1.7
487.03317	0.2
487.10306	0.7
501.04730	2.7
502.04868	0.3
503.06064	1.6
515.06543	0.6
516.06305	0.2
529.04126	27.1
530.04462	3.8
533.10815	0.6
543.05664	2.3
544.06445	2.0
545.06836	0.3
559.08807	100.0
560.09149	16.0
577.09937	3.5
578.10248	0.7
707.18530	0.5
725.19293	0.7
871.22498	1.8
872.22852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	0.5
65.00203	0.9
70.54184	0.7
71.01250	0.5
79.07006	0.3
83.01266	1.1
85.02836	0.3
85.85712	0.3
87.00769	0.5
91.01759	0.5
93.03352	0.3
96.95872	0.7
107.01258	1.9
108.02042	2.3
109.02851	0.4
111.00787	0.6
119.04858	0.3
121.02824	1.1
124.01547	0.3
130.28777	0.2
134.03595	0.7
135.00801	1.3
137.02373	0.5
147.04427	0.9
148.01559	1.3
149.02269	0.3
149.05960	0.5
151.00282	6.8
151.01503	0.3
152.01030	0.4
153.01820	0.6
159.04442	0.5
160.01567	0.5
160.07701	0.3
161.02382	0.5
163.00258	1.0
163.03984	0.4
164.01027	0.7
164.04744	0.3
169.01425	0.5
174.03189	0.3
175.03915	0.4
177.01962	0.3
178.99754	3.1
183.04405	0.3
187.03966	0.6
188.04668	0.4
191.05754	0.3
192.00540	0.5
193.04987	1.1
198.03110	0.3
199.03885	1.2
201.01804	0.4
203.03430	0.6
208.66019	0.3
211.03955	0.8
214.02542	0.3
215.03453	1.0
216.04178	0.9
223.06041	0.4
226.02718	1.6
227.03448	3.8
228.03885	0.4
229.01221	0.4
237.03822	0.5
243.02963	12.7
244.03560	1.3
254.02228	2.3
255.02971	31.6
256.03284	2.6
271.02478	64.5
272.02893	6.1
273.03809	0.7
283.02451	0.4
284.03259	0.4
299.02008	4.4
299.05338	0.4
300.02744	100.0
301.03271	12.9
302.04016	0.4
333.09827	0.3
343.04373	0.3
351.10669	0.4
383.45657	0.3
434.59717	0.2
475.08383	0.3
719.42767	0.3
723.17761	0.8
724.17426	0.3
871.23010	40.9
872.23187	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	871.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	0.4
65.00210	1.3
69.32021	3.0
71.01261	0.5
82.47264	0.3
83.01244	0.9
87.00764	1.7
93.03347	0.5
96.95892	0.7
101.02305	0.6
107.01263	2.3
108.02081	2.4
109.02866	1.0
109.48215	0.4
113.02324	0.7
117.03365	0.6
119.04932	0.7
121.02850	1.4
134.03603	1.1
135.00784	0.8
137.02405	0.4
145.02841	1.0
147.04391	1.8
148.01570	1.4
149.02347	0.6
149.05963	0.7
151.00272	5.5
152.01007	0.8
153.01862	0.9
153.71591	0.3
159.04451	0.4
160.01601	0.5
161.02379	0.9
162.22798	0.3
163.00313	1.3
163.03931	0.6
164.01053	0.9
165.05486	0.5
175.03900	0.8
177.01852	1.6
178.99788	4.7
183.04341	0.6
187.03896	0.7
189.01825	0.6
191.05472	0.5
192.00584	0.6
193.04996	1.9
199.03902	1.3
200.04707	0.4
201.01785	0.5
202.02621	0.5
203.03300	1.0
209.11884	0.4
211.03918	0.8
215.03482	1.0
216.04260	0.5
226.02682	2.1
227.03432	4.3
243.02960	13.0
244.03358	1.3
254.02208	2.4
255.02980	31.7
256.03403	2.6
271.02475	63.4
272.02948	6.8
273.03799	0.8
284.03250	3.2
285.03915	0.9
299.01990	4.3
299.05264	0.6
300.02747	100.0
301.03323	12.0
302.03882	0.4
313.03543	1.4
315.07254	0.5
325.03601	0.4
333.09723	1.2
343.08246	3.5
351.10999	0.7
707.18066	0.5
723.17621	1.6
725.18134	0.7
871.22906	45.9
872.23248	11.1
872.40155	0.5
901.12158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40904	0.5
65.00208	1.3
65.56115	0.4
67.47083	0.4
70.06343	0.4
83.01262	1.1
84.38519	0.5
85.02816	0.6
87.00729	1.1
93.03356	1.1
96.95879	0.6
101.02306	0.6
107.01264	2.2
108.02106	0.5
109.02847	1.0
117.03355	15.9
118.03628	0.6
119.04919	1.7
121.02843	0.9
123.04470	0.6
123.63096	0.5
130.93758	0.5
132.02092	1.1
134.03638	0.9
135.00810	1.1
135.04411	0.6
142.07063	0.5
143.04852	0.6
145.02863	32.2
146.03220	1.4
146.41933	0.5
147.04446	0.8
151.00278	5.8
152.01048	0.8
153.01799	0.6
159.04404	0.9
160.01578	0.7
161.02400	0.6
163.00308	1.8
163.03880	0.5
164.04504	0.5
165.01796	0.8
167.04955	0.5
169.01236	0.8
175.03969	0.8
178.99792	1.7
182.03589	0.6
183.04480	1.4
185.05925	1.3
187.03979	1.0
189.05327	0.6
193.04929	0.6
199.03964	0.6
200.04852	0.6
201.11157	0.5
209.11800	0.7
211.03944	2.3
213.05560	1.1
223.06052	0.8
227.03455	36.5
228.03754	2.3
229.05089	2.7
239.03448	1.8
243.02884	0.6
255.02974	71.5
256.03595	9.8
257.04523	2.8
271.02454	0.7
283.02484	3.2
284.03265	100.0
285.03946	27.4
286.04379	1.2
297.04108	0.6
322.86353	0.5
327.05042	1.0
337.37119	0.5
358.65332	0.5
430.95844	0.5
559.09039	0.7
658.69995	0.5
666.13586	0.5
707.18201	2.8
709.21002	0.6
725.19403	21.1
726.19324	3.0
751.17352	1.5
807.54724	0.6
871.22980	43.7
872.23407	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	865.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	49.2
63.23083	1.4
67.48096	1.6
69.18011	1.8
71.01254	11.3
71.53983	2.0
72.99202	3.6
73.02818	2.8
75.00754	41.0
78.95782	2.5
83.01257	2.7
85.02820	24.3
87.00744	8.0
88.98713	2.0
89.28230	1.7
96.95878	3.1
99.00744	3.0
101.02332	4.8
113.02361	11.8
116.89579	1.5
118.16019	1.7
134.03654	1.6
141.62793	1.8
147.04413	3.3
166.24377	1.6
205.28372	1.7
209.11786	4.8
211.13406	2.7
220.46979	1.8
246.56299	1.6
326.67142	1.8
589.25122	2.1
718.85529	1.8
821.46899	100.0
822.47076	23.1
865.48804	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	865.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93229	0.4
61.98708	5.7
63.96112	0.9
69.03325	2.0
71.01255	8.3
72.99224	0.5
73.02826	1.4
78.98460	2.5
79.95609	8.4
80.96394	35.3
81.03328	1.2
83.01276	0.9
83.20168	0.6
85.02839	2.7
87.00764	2.2
89.02325	3.1
94.97957	6.3
95.04890	0.8
97.02831	5.1
99.00798	0.6
101.02330	4.3
106.97969	1.7
111.08041	0.7
113.02335	2.4
117.73923	0.5
119.03360	0.7
119.08531	0.5
122.97459	1.9
125.02343	2.0
125.09631	1.2
134.97496	3.1
136.99023	0.8
137.09625	1.9
143.03491	0.6
148.99028	3.6
152.98514	2.5
161.04443	2.8
163.11194	1.5
164.98546	5.6
165.12785	5.0
171.10190	4.2
179.05539	0.9
179.14316	0.7
181.12305	1.0
182.61407	0.6
183.13812	1.4
185.11691	0.7
193.12257	0.6
193.16008	0.7
206.99683	1.4
207.10208	0.8
209.11714	2.4
211.13361	2.8
225.00716	8.8
227.12813	4.0
229.49902	0.7
235.08209	4.5
247.20624	3.4
248.01164	0.5
253.09265	16.4
255.23441	0.7
259.20612	0.7
273.18643	2.0
277.21732	100.0
278.22064	8.7
291.19672	40.8
291.23041	1.0
292.20096	3.0
296.49713	0.6
300.54654	0.5
309.20721	76.1
310.21054	6.4
329.62030	0.5
337.85089	0.6
352.41800	0.6
513.30695	0.6
527.28619	1.4
537.27405	1.0
545.29443	3.1
569.42114	1.5
865.49927	36.2
866.50354	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	866.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
71.44804	0.4
71.45142	0.4
78.98495	0.2
80.96402	1.3
107.48551	0.3
108.74973	0.3
121.02852	0.4
154.44200	0.4
171.10251	0.5
225.00780	0.4
253.09256	0.3
277.21805	0.7
278.22037	0.3
287.42310	0.3
289.18231	0.4
291.19553	0.6
346.10522	0.3
413.94861	0.4
641.14874	0.3
648.50653	0.3
866.49866	1.5
867.48932	0.6
874.34406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98405	0.1
71.01262	0.2
80.96405	0.1
89.02323	0.1
101.02345	0.1
145.04240	0.1
171.10248	0.1
211.13365	0.6
225.66000	0.1
245.20258	0.1
255.23148	0.1
277.21655	0.3
293.21289	0.2
294.21674	0.1
295.21823	0.1
397.13626	0.2
415.15024	0.1
487.31561	0.1
841.27808	0.1
869.46906	0.2
872.09711	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98404	0.1
67.97518	0.1
75.48232	0.1
79.95613	0.1
80.96400	0.5
88.78578	0.1
94.64118	0.1
94.98006	0.1
127.05612	0.1
156.90359	0.1
199.16750	0.1
220.88609	0.1
277.21805	0.1
278.22098	0.1
441.46518	0.1
607.67712	0.1
792.68304	0.1
868.50836	0.2
869.47803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.6
69.03323	2.4
71.01258	7.1
71.20399	1.4
72.01643	0.8
73.02824	2.1
78.95778	1.0
81.03331	0.9
83.01266	1.0
83.04876	1.5
84.02034	3.5
85.02821	2.4
87.00755	2.5
89.02301	5.6
95.04922	1.2
96.95874	3.4
97.02845	4.2
97.06472	8.4
99.04411	1.8
101.02327	8.2
102.05480	3.3
109.06444	0.9
111.00800	0.8
111.08038	6.7
113.02354	3.9
116.92714	2.1
119.03361	2.0
125.09587	2.3
127.11118	0.9
128.03424	3.2
134.03639	11.3
135.08096	0.9
137.09648	2.2
145.06075	3.2
146.04498	6.4
147.04491	0.8
149.05933	0.9
151.11127	0.8
155.42926	0.8
160.01492	1.0
161.04446	2.5
163.11186	0.9
165.12735	2.7
169.12241	3.2
171.10184	17.8
172.10466	0.8
175.03917	1.8
179.05556	1.1
181.12300	1.3
183.13844	1.6
185.11763	1.1
193.05032	9.6
193.12271	9.8
193.83894	0.8
197.11772	31.6
198.12146	2.1
199.13301	1.3
209.11713	2.5
211.13364	10.5
221.11786	1.4
225.14873	14.3
226.15282	0.9
227.12784	2.3
235.08299	5.1
243.15933	5.6
243.60777	0.8
247.20546	1.3
253.06702	1.7
253.09274	31.6
253.14549	1.0
254.09590	1.3
263.20154	1.7
273.18546	2.7
277.21765	1.0
291.19666	24.5
292.20007	2.4
293.21219	5.6
309.20712	73.0
310.20987	7.1
323.22202	2.5
341.23315	100.0
342.23682	8.8
357.22867	4.4
365.04465	0.9
527.28534	0.9
545.29626	2.5
577.32092	2.9
578.33142	1.1
633.43860	6.2
634.44037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32893	1.0
64.45745	1.1
69.03314	1.7
71.00895	1.8
71.01259	24.7
72.99184	1.7
73.02813	3.9
78.95775	1.0
80.96389	1.9
81.03336	1.4
83.01273	1.7
85.02821	5.5
87.00760	4.1
89.02316	19.9
95.01289	1.2
97.02837	4.5
99.00759	1.4
101.02325	15.6
104.89227	0.9
111.00700	1.0
113.02338	10.1
116.92743	1.7
119.03385	4.4
125.02340	5.0
129.30753	1.0
132.87741	1.0
139.03870	1.2
143.03410	2.5
161.04439	3.1
163.11134	1.2
165.12766	6.3
176.04419	1.1
179.05516	2.8
183.13834	69.6
184.14182	3.5
199.13318	3.0
207.10127	1.5
209.11800	9.2
221.06615	2.5
227.12854	10.3
235.08197	2.9
255.23285	49.0
256.23679	4.3
277.21777	1.3
291.19617	2.9
293.21396	2.6
297.99673	1.3
379.12473	3.7
397.13513	14.4
398.13937	1.4
415.14508	3.5
625.27075	3.6
660.01599	1.2
863.50079	100.0
864.50427	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	1.9
66.22751	0.5
71.01238	3.8
71.04877	0.9
71.07993	0.6
73.02812	1.0
80.96387	2.3
82.92833	0.6
83.01289	0.7
85.02818	0.9
87.00747	1.1
89.02302	1.9
98.19674	1.1
101.02325	3.8
109.06480	3.0
111.04403	2.0
111.08102	0.7
113.02341	1.3
119.03368	1.1
125.02319	0.9
127.07571	0.8
135.08034	0.9
145.04979	0.9
145.06514	0.9
161.04471	1.2
163.11177	0.6
167.01799	0.6
195.13889	0.8
209.11751	0.8
222.79527	0.6
224.52774	0.6
235.08188	5.2
245.19124	1.9
253.09232	9.0
277.21713	100.0
278.22089	9.3
287.16449	1.0
289.18094	59.6
290.18408	6.4
307.19037	2.9
525.26923	1.7
796.07391	0.6
863.48804	3.5
864.47870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32229	6.5
69.58853	41.7
70.31624	6.1
83.63114	7.0
87.00769	12.2
93.03347	19.2
95.04896	8.9
111.00761	71.5
119.04921	30.8
135.04422	24.6
137.02322	23.1
137.06015	40.2
147.04553	7.1
163.03935	24.1
165.01791	7.1
186.02470	6.9
197.06157	6.4
203.06798	8.4
207.02979	33.0
213.05492	10.4
225.05617	7.4
229.01382	8.0
241.05038	11.5
242.05746	6.9
246.01773	7.2
247.02396	8.5
257.04520	7.7
269.04614	9.2
280.90109	6.6
284.03265	9.3
285.03970	9.0
295.02481	10.8
299.02008	6.3
312.03085	6.6
313.03540	27.2
315.05319	9.3
317.04184	6.4
323.02072	9.6
327.05087	16.3
328.05951	17.8
329.06604	7.1
339.05194	19.6
343.08307	38.8
351.04987	9.6
373.06897	7.7
385.09348	74.7
391.08286	14.1
397.09354	28.2
403.11951	11.8
419.11353	12.9
421.12976	25.7
433.09384	10.4
437.12323	8.0
439.13940	37.4
447.10925	100.0
448.11481	11.7
465.11804	97.3
466.12228	9.0
483.12891	44.6
484.13324	7.8
491.10324	16.0
509.10684	21.4
513.90424	6.9
594.06317	7.0
679.18646	26.1
691.18170	15.6
741.20398	36.2
759.21161	37.4
777.21393	8.2
778.85040	6.5
785.20135	10.4
803.20093	35.2
847.19379	80.7
848.20612	18.3
865.19788	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03803	1.4
61.91672	1.2
71.01263	8.0
73.02811	2.9
74.09031	1.3
85.02808	3.3
86.57024	1.3
89.00169	1.8
90.48218	1.4
99.00769	3.5
101.02360	2.7
109.02827	6.6
113.02330	2.6
121.02843	11.8
121.20022	1.2
121.61059	1.3
123.00780	6.3
124.01519	2.4
125.02341	3.5
131.04930	4.1
137.02347	9.6
138.03159	11.8
139.03900	1.5
143.04904	3.1
145.02890	2.1
145.06473	2.5
146.03648	4.0
147.04424	8.4
151.03902	3.3
152.04694	2.7
153.05499	4.8
159.04431	100.0
160.05193	14.3
161.02374	2.8
161.04735	1.2
161.05994	27.2
162.06448	1.9
163.03931	4.1
172.05200	1.8
173.02338	5.2
173.05997	36.1
175.03917	2.9
176.73470	1.4
177.05510	1.7
187.03937	8.3
191.03412	2.7
199.03888	2.4
203.03473	7.3
213.09045	2.6
217.01331	2.9
219.03043	2.2
223.07585	4.4
228.04199	2.1
229.01344	2.9
234.05293	2.2
237.05707	1.9
239.03493	1.8
239.07112	2.1
241.08630	4.0
247.13914	1.5
249.05453	5.6
250.06232	2.6
251.07124	23.0
252.07419	1.9
253.05054	1.7
253.08661	2.1
264.04205	1.7
265.04965	2.3
266.05765	2.1
267.06573	3.9
269.04407	2.2
269.08179	6.9
271.06085	5.3
277.05084	22.4
278.05634	6.6
279.06601	17.6
280.07166	3.0
281.04578	3.9
282.05432	10.6
286.08472	4.2
293.04507	3.9
294.05298	7.7
295.06149	15.0
295.09332	2.4
296.06757	6.0
296.10156	2.6
297.07684	52.0
297.11090	2.5
298.07968	3.6
299.09277	4.5
305.04538	9.0
306.05231	2.0
307.05817	2.3
309.07614	3.8
310.08524	4.7
311.09262	6.4
312.10052	39.8
313.10483	3.4
314.09750	1.5
321.03879	4.4
321.07590	2.6
322.04910	7.9
323.05600	22.8
324.05841	2.7
325.10757	7.5
326.11346	2.2
327.12384	53.2
328.12659	4.2
336.06183	2.2
337.07211	15.2
338.08002	23.5
339.08252	3.2
343.08224	4.5
351.08716	11.7
353.10339	42.5
354.10660	5.8
371.11322	23.2
372.11386	2.3
379.08218	4.3
397.09302	26.9
415.10422	4.9
423.07257	20.9
423.15317	1.7
424.07199	3.0
441.08356	2.5
483.11026	1.7
643.94116	1.8
777.25690	7.5
778.26575	2.2
793.95612	1.7
821.25256	13.9
822.25757	3.3
847.23102	25.9
848.23260	6.2
865.24072	61.2
866.24298	15.8
896.85852	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	863.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98769	0.6
67.52712	0.3
69.68790	0.7
69.69204	1.3
70.30096	0.3
71.01005	0.3
71.01352	1.1
73.02883	0.5
87.00838	0.7
89.02429	0.6
93.03429	0.3
95.09821	0.3
99.00887	1.6
101.02428	0.5
108.02130	0.5
109.02982	0.3
117.26967	0.3
119.05090	0.3
121.02973	0.6
130.92189	0.3
134.03818	0.6
135.04536	0.4
139.00352	0.3
145.02957	0.4
147.04532	0.6
148.01678	0.4
149.02533	1.2
149.06143	0.5
151.00336	0.4
151.04041	0.4
152.01167	0.3
159.04492	0.5
160.01781	0.4
161.02528	1.1
162.03273	1.1
163.00410	0.9
163.03932	0.5
164.01202	0.6
173.02512	0.4
174.01909	0.4
174.03328	0.6
175.04137	1.2
176.01263	0.6
176.04695	0.4
177.02046	1.0
179.03487	0.5
187.04077	0.4
189.01880	1.5
190.02650	2.6
191.03520	0.6
193.05106	0.6
201.01959	0.5
203.03400	1.6
204.04338	0.4
209.11887	0.6
211.13501	0.4
217.01378	3.0
218.02161	0.4
227.03630	0.4
229.01563	0.5
230.02359	0.9
231.03102	0.6
245.04718	0.4
251.07008	0.4
253.05104	0.4
269.12033	0.3
281.04538	0.4
295.06406	0.4
296.06964	0.4
299.02069	0.3
299.05447	0.3
300.02832	0.4
309.04236	0.5
311.02106	0.5
313.03568	0.4
314.04300	0.4
315.12375	0.7
319.12048	0.5
325.03519	0.6
326.04407	0.5
327.01569	0.4
328.02237	0.4
329.06790	0.6
332.12680	2.0
333.13513	0.9
337.03577	0.4
339.05243	0.5
340.05914	0.5
342.03912	0.7
343.04739	0.6
343.08490	0.6
351.05267	0.5
353.03134	1.2
354.03549	0.4
357.06274	1.2
358.07047	2.2
359.11380	1.6
367.04556	0.6
368.05432	0.6
369.06042	0.4
372.08539	2.6
373.09106	0.3
381.06348	0.4
383.07684	0.8
384.08505	0.7
395.03918	0.4
397.09369	1.3
398.10065	3.0
399.10400	0.4
404.07614	1.3
411.11401	0.6
425.08499	2.2
426.09552	6.3
427.09970	1.0
437.12457	0.5
439.09760	0.5
453.11096	0.4
467.17447	0.4
493.15152	0.6
507.16473	0.4
511.16025	4.3
512.15985	0.4
521.14349	0.6
525.17737	1.1
526.18036	0.7
539.15656	2.6
540.15900	0.4
541.20801	1.1
551.18976	2.0
553.17163	0.5
554.18268	0.7
569.20258	100.0
570.20618	16.1
581.16656	0.6
611.21289	5.0
612.22211	0.8
845.27850	0.5
863.29437	10.7
864.30048	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	863.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53509	9.9
71.53883	5.2
78.95782	76.2
96.96834	15.8
135.23325	5.5
152.99492	17.4
197.11763	14.7
241.01122	25.2
255.23291	40.1
291.19754	8.8
863.49219	100.0
864.49475	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	863.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.5
69.03320	1.0
71.01258	13.9
71.53571	0.9
72.99173	1.5
73.02819	2.4
79.27950	0.6
79.42473	0.5
80.02552	1.2
80.25276	0.5
81.03322	2.1
83.01249	1.5
83.04911	5.2
85.02820	3.8
85.61928	0.5
87.00761	4.1
89.02320	13.3
95.01275	1.3
95.04905	1.0
97.02840	2.3
99.00769	1.0
101.02328	11.8
109.06490	0.6
113.02335	5.7
119.03411	3.9
125.02333	5.2
125.05942	0.9
126.02659	0.6
131.03320	0.6
143.03424	3.0
143.75124	0.5
161.04459	3.8
163.11230	3.5
165.12782	3.2
167.54236	0.5
179.05533	3.9
181.12216	0.7
191.10762	0.9
207.10208	1.0
209.11783	100.0
210.04623	0.6
210.12100	6.6
217.07236	0.7
221.06662	0.7
225.11320	0.6
227.12859	17.6
228.13184	1.3
235.08257	4.8
251.13097	0.7
253.09387	0.7
255.23279	46.7
256.23611	4.8
259.08151	0.8
277.21912	0.6
287.07681	1.5
305.08856	1.6
315.04523	0.6
323.09824	1.0
325.51974	0.6
328.22244	0.5
344.07288	0.5
379.12488	8.6
380.12811	0.6
397.13519	34.3
398.13818	3.7
415.14597	8.9
416.15201	0.7
589.24567	0.8
607.25934	1.9
716.82129	0.6
863.49634	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	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.9
70.82268	0.4
71.01256	15.7
72.01582	0.2
72.99171	1.4
73.02811	1.9
75.00754	0.3
80.02560	0.7
80.33191	0.2
80.46926	0.2
80.96404	0.4
81.03333	1.5
83.01270	1.8
83.04899	5.0
84.02035	0.7
85.02832	3.5
87.00752	3.9
89.02319	12.2
91.03927	0.2
93.03331	0.3
95.01281	1.2
95.04906	0.9
97.02834	2.5
97.06473	0.2
99.00757	0.9
101.02327	11.8
109.06475	0.3
111.00770	0.6
111.04422	0.6
113.02335	6.9
114.02619	0.3
115.03905	0.3
119.03396	3.1
121.02860	0.4
123.00800	0.3
123.04423	0.3
125.02338	5.4
125.05975	0.5
125.09486	0.2
131.03371	0.4
133.04974	0.4
134.87477	0.2
135.08070	0.4
137.02350	0.3
139.03911	0.4
141.01857	0.6
143.03418	2.9
145.04984	0.3
148.04921	0.2
149.04485	0.3
161.04468	3.2
163.11211	3.8
165.12759	2.0
167.03366	0.5
179.05547	3.9
181.12279	0.7
183.88646	0.2
191.10742	1.2
199.06064	0.6
199.13239	0.3
209.11777	100.0
210.12122	5.7
214.51703	0.2
217.07121	0.8
219.05130	0.2
221.06616	0.9
227.12856	14.3
228.13199	0.9
235.08188	4.6
236.08568	0.4
245.06805	0.3
251.12848	0.4
253.09219	0.7
255.23277	50.0
256.23639	4.1
259.08194	0.5
263.07770	0.5
269.24811	0.5
287.07663	1.4
297.24368	0.5
298.92743	0.3
305.08737	2.1
323.09888	1.0
379.12473	7.6
380.12787	0.5
383.41162	0.3
397.13507	37.4
398.13895	2.7
415.14603	8.1
416.14938	0.5
474.40659	0.3
533.44928	0.3
589.25262	0.6
607.26208	0.9
614.42554	0.2
635.37207	0.5
653.37341	1.3
657.94037	0.2
863.49048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.7
69.03336	1.1
71.01254	17.3
71.53892	0.2
72.99187	1.5
73.02821	2.4
75.00738	0.4
77.58252	0.2
80.02540	1.1
81.03335	2.0
83.01260	2.5
83.04898	5.0
83.34602	0.2
84.02033	0.8
85.02821	4.0
86.03132	0.2
87.00751	4.1
89.02315	14.5
92.83125	0.2
93.03318	0.4
95.01254	1.3
95.04893	0.6
96.33897	0.2
97.02826	2.5
97.82876	0.2
99.00732	1.0
101.02324	13.7
102.02641	0.3
109.02825	0.4
109.06439	0.3
111.00767	0.4
111.04388	0.5
113.02324	7.3
114.02682	0.2
119.03394	4.2
121.02841	0.4
125.02338	5.9
125.05962	0.5
126.02682	0.3
131.03407	0.8
133.04945	0.4
135.08026	0.9
139.03911	0.7
143.03429	2.2
145.04924	0.3
147.11700	0.2
149.04509	0.3
161.04486	2.8
163.11180	3.6
164.11484	0.3
165.12766	2.7
167.03392	0.5
179.05530	3.8
181.12271	0.6
191.10715	0.9
199.06009	0.4
200.08241	0.2
203.05695	0.3
209.11768	100.0
210.12105	5.8
217.07103	0.9
219.05051	0.3
221.06598	1.2
227.12846	11.7
228.13181	0.9
235.08214	4.9
235.10471	0.5
236.08644	0.3
245.06566	0.3
251.12946	0.4
253.09210	1.0
255.23265	53.9
256.23605	4.4
259.08438	0.3
263.07654	0.6
269.24875	0.9
287.07608	1.9
305.08752	2.5
319.26282	0.2
323.09900	0.9
379.12418	8.8
380.12851	0.3
397.13492	40.4
398.13797	3.1
415.14557	8.6
416.14948	0.9
429.00522	0.3
589.25037	0.5
590.25403	0.4
607.26166	1.0
635.36676	0.3
653.37445	1.6
654.38428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	1.5
69.03317	1.6
71.01254	19.2
72.99172	1.6
73.02832	3.0
75.17696	0.5
78.95759	0.6
80.96379	1.4
81.03329	0.6
83.01257	2.5
85.02820	4.1
87.00751	3.2
89.02322	14.9
95.01241	1.3
97.02834	3.1
97.06456	1.1
99.00762	1.0
99.91259	0.6
101.02328	13.2
111.08008	0.8
113.02334	6.4
119.03372	2.4
125.02335	3.2
129.01799	0.6
132.04877	0.5
138.50694	0.7
143.03365	2.2
153.62091	0.6
161.04440	2.0
165.12769	6.5
179.05504	1.8
183.13831	44.3
184.14211	2.9
209.11755	2.2
221.06607	1.8
225.00693	0.9
227.12834	3.4
235.08168	2.3
253.09280	0.6
255.23279	58.7
256.23615	6.8
256.46741	0.5
274.83273	0.5
277.21503	0.9
379.12436	1.5
382.31360	0.6
385.70062	0.6
397.13513	9.8
398.13733	1.0
415.14584	2.0
607.25427	1.3
625.27460	1.0
645.04797	0.7
863.50061	100.0
864.50415	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03831	0.6
67.01771	0.2
71.01273	0.3
71.54376	0.1
75.00765	0.2
81.03361	0.2
87.00777	0.2
91.05412	1.8
92.78775	0.1
93.03365	0.7
95.01273	0.2
101.02320	0.1
108.02048	1.5
109.02838	10.9
110.03178	0.4
111.00759	0.5
121.02845	10.1
122.03655	2.9
123.04422	2.5
128.01105	0.2
133.02841	0.3
134.03632	2.0
135.04414	18.7
136.04773	0.8
137.02316	0.2
146.03604	0.2
147.04434	3.5
148.05148	0.2
149.05980	4.3
150.06293	0.2
151.00290	0.2
161.02299	0.2
171.04478	0.2
172.05121	0.2
174.02998	0.2
177.01712	0.1
185.06067	0.1
186.03162	0.2
186.06808	0.4
187.07520	0.3
188.04770	0.1
197.06120	0.6
198.03125	0.7
199.03876	0.4
200.01108	0.2
202.02538	0.2
203.10725	0.2
210.03171	0.7
211.03819	0.2
211.07431	0.3
212.08363	0.8
213.01970	0.2
213.05530	0.6
214.02654	0.5
214.06284	0.8
215.03386	0.1
223.19852	0.1
225.05508	0.6
225.09196	0.1
226.02640	1.8
227.03448	0.6
229.01389	0.4
229.08685	0.9
230.02080	0.3
238.06299	0.5
239.03519	0.4
240.04143	0.2
241.05026	1.4
242.02141	2.2
242.04848	0.2
243.02846	0.2
245.04581	0.2
253.01480	0.3
253.08644	0.8
254.02191	1.2
255.02954	0.4
255.06624	0.3
256.07385	2.0
257.07968	0.2
267.02847	0.4
269.01038	0.3
269.04587	0.5
270.01700	4.7
270.04684	0.2
271.09747	100.0
272.10095	9.0
281.00839	0.6
282.01669	0.4
283.02457	0.7
284.03204	0.4
285.04050	7.3
286.04437	0.5
295.02612	0.2
297.00681	0.2
297.03964	1.3
298.01178	2.3
298.04327	0.2
299.01874	0.3
299.05667	1.1
311.05453	0.2
312.02768	0.6
313.03537	32.4
314.03885	3.0
327.01315	0.3
327.05035	2.6
328.05853	12.0
329.06204	1.2
343.08206	56.0
344.08557	5.3
357.06189	1.7
358.06842	2.2
359.07684	0.5
415.13934	0.4
475.16080	5.9
476.16373	0.8
519.20905	0.2
569.20111	0.8
652.16467	0.5
871.43115	0.1
881.09088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	0.7
64.94885	0.2
65.03824	0.7
67.01758	0.4
69.38523	0.7
69.38953	0.7
71.01270	1.0
72.99171	0.2
73.02843	0.3
75.00748	0.6
75.31620	0.2
78.95772	0.3
79.95635	0.2
83.01249	0.2
83.04819	0.2
85.02832	0.5
87.00761	1.4
89.02320	0.4
91.05402	1.9
93.03336	0.9
95.01266	0.4
96.95891	3.0
100.32152	0.2
101.02341	0.4
107.04936	0.4
108.02061	3.1
109.02837	20.0
110.03178	0.6
111.00748	0.3
113.02317	0.4
115.00220	0.2
115.83904	0.2
119.04909	0.7
119.16089	0.2
119.27235	0.2
121.02845	5.7
121.06615	0.3
122.03625	0.6
123.00718	0.3
123.04403	4.4
124.01541	0.2
124.04659	0.3
125.02326	0.7
130.99731	0.3
132.02090	0.2
133.02855	0.8
134.03638	3.5
135.04416	23.7
136.04765	1.1
137.02339	0.6
139.03915	0.2
146.03625	0.5
147.03291	0.4
147.04419	5.3
148.05214	0.5
149.02383	0.4
149.05992	6.5
149.07188	0.4
150.03117	0.7
150.06279	0.3
151.00230	0.3
151.03969	0.2
152.01059	1.5
153.01822	0.6
159.04411	0.4
160.01591	1.2
160.05240	0.3
161.02277	0.6
161.04657	0.2
161.05968	0.4
163.03912	0.6
165.04005	0.4
165.05457	0.4
168.00597	0.3
172.05197	0.2
173.04433	0.3
173.05942	0.4
174.03174	0.2
175.02592	0.3
175.03896	1.3
177.01860	0.3
178.02673	0.2
179.03409	0.3
186.06770	0.6
187.03943	0.2
187.07651	0.3
188.04712	0.6
191.05490	0.3
192.04156	0.4
193.05045	1.3
194.07297	0.4
195.06386	0.2
197.06007	1.6
199.04039	0.3
201.01862	0.3
201.05421	0.3
201.09169	0.4
201.11188	0.3
203.07085	0.3
203.10709	0.7
209.11778	0.6
211.07544	0.5
212.04509	0.2
212.08405	1.0
213.05504	0.5
214.06322	1.1
219.02739	0.3
226.02727	0.3
227.03401	0.5
227.10716	0.3
228.07726	0.2
228.75191	0.2
229.08636	1.0
237.05663	0.3
238.06415	1.5
239.06982	0.6
241.05020	1.8
243.10222	0.6
245.12331	0.2
251.01894	0.3
253.08713	2.2
255.02777	0.3
255.06551	0.6
256.07413	2.0
269.08298	0.2
271.09747	100.0
272.10095	8.4
285.03940	1.1
287.05493	0.3
295.09821	0.3
299.01920	0.5
299.05603	0.4
300.02869	0.3
313.03525	1.9
314.03879	0.3
327.01462	0.4
327.05066	0.3
328.05811	0.7
331.06873	0.7
343.04266	0.3
343.08185	3.0
344.08377	0.2
353.10263	0.3
357.06192	1.7
358.07065	0.9
359.07843	0.3
475.16220	0.5
569.20544	1.3
571.18372	0.8
652.16711	0.4
667.20605	0.3
863.22571	1.1
864.23431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	5.9
73.02820	1.2
83.01247	1.2
85.02814	2.7
87.00755	17.8
95.01256	0.8
98.20551	2.0
99.00766	2.1
101.02328	4.0
102.28266	0.8
109.02824	2.0
113.02319	2.5
117.03343	0.8
121.02850	4.7
123.00766	3.2
123.04306	0.8
124.01517	1.6
125.02332	3.0
130.99748	1.5
133.01334	1.0
133.02811	0.8
135.04408	1.3
137.02370	3.6
138.03127	5.5
139.03926	1.5
145.02837	1.7
146.03627	3.3
147.04413	9.8
152.04636	1.4
153.05539	3.3
159.04433	33.4
160.01605	0.9
160.05229	6.8
161.02359	10.4
161.04489	2.0
161.05986	13.9
162.03159	5.1
163.03935	3.5
173.02385	3.1
173.04750	1.0
173.06015	8.2
174.03180	3.7
175.03925	11.4
176.04564	1.0
177.01859	1.5
187.03920	3.1
187.07526	0.9
188.04701	1.1
189.01894	1.5
189.05527	2.5
191.03444	2.3
193.71185	0.7
197.06067	2.1
199.03922	0.8
199.07489	1.7
200.04599	0.9
203.03409	4.5
204.04182	2.7
205.04982	2.5
209.05949	1.0
211.07629	0.7
212.04646	0.8
213.05534	1.4
215.07083	1.6
217.04950	1.3
219.03082	0.9
224.04753	0.8
224.08685	0.7
225.03505	1.4
225.05559	20.2
226.05972	2.2
227.07071	2.3
228.04089	1.3
229.18982	0.8
234.05247	0.8
235.04117	0.8
241.05025	2.8
242.05673	1.2
243.03018	0.9
243.06580	3.3
249.05495	1.3
249.07693	1.5
251.03456	2.8
251.07141	4.7
253.05037	19.0
254.05681	3.1
255.06683	1.2
256.03732	1.8
265.05099	0.8
266.05563	0.8
267.06549	2.3
268.03775	1.0
268.07141	1.3
269.04538	8.2
269.07993	1.9
270.05093	3.9
271.06125	33.8
272.06555	2.4
277.05084	3.7
279.03027	3.6
279.06570	3.0
280.03595	1.0
281.04581	14.0
282.05170	2.1
283.05917	1.5
284.06891	5.3
285.07602	3.6
286.05295	1.6
286.08487	33.4
287.08838	3.6
293.04547	1.1
294.05240	1.6
295.06091	3.3
296.03317	1.9
296.06824	5.0
296.09784	0.9
297.04019	9.7
297.07666	13.5
298.04514	1.5
298.08328	1.3
299.05908	1.5
299.09225	8.3
300.09570	1.2
301.10831	27.2
302.11130	2.6
305.04648	1.7
309.07593	1.0
311.05612	3.7
311.09247	4.2
312.06360	12.0
312.10016	10.8
313.07031	4.5
313.10297	0.8
314.07870	3.8
322.04901	1.7
323.05579	4.7
324.02777	0.9
324.06155	1.1
325.07196	12.3
325.10831	1.7
326.07913	9.1
327.08691	44.8
327.12396	20.0
328.09244	7.8
328.12827	2.2
329.10330	11.0
330.10733	0.9
337.07147	4.4
338.07977	6.0
339.05035	1.3
340.05740	1.4
343.11865	8.3
344.12192	0.9
345.09760	2.7
351.08527	0.9
353.10220	10.3
355.08163	7.1
355.34680	0.7
356.08701	1.1
369.09668	3.5
371.11362	15.3
372.11737	1.3
373.09183	1.2
387.10941	1.5
397.09299	13.8
399.07233	3.6
401.14600	1.1
415.10550	3.6
423.07104	1.9
433.11520	1.1
441.08200	7.6
442.08698	1.0
459.09366	12.6
460.09805	1.2
477.10577	0.9
729.23322	1.8
757.23810	0.8
771.25684	1.5
799.24017	1.6
801.22107	6.7
802.22400	1.7
825.22461	3.7
840.46613	0.9
843.23126	1.0
861.24591	100.0
862.24988	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	1.4
70.20803	1.6
70.21179	0.9
71.01254	3.9
72.99175	0.6
73.02821	0.9
75.00733	1.1
83.01286	0.7
84.46317	0.4
85.02833	2.5
87.00758	3.4
89.02314	0.9
89.03854	0.6
93.03339	4.0
95.01259	0.6
95.04917	0.5
96.95883	1.2
97.73685	0.4
99.00774	1.3
99.04376	0.5
101.02334	1.5
105.03367	1.0
106.04139	0.6
107.04906	0.8
108.02071	1.6
109.02866	1.2
109.56095	0.5
111.00761	0.7
113.02348	2.6
117.03352	2.9
119.04897	2.2
121.02847	14.0
122.03656	5.2
123.04428	1.6
124.01585	0.9
125.02327	0.9
130.75847	0.5
130.99762	0.9
132.02065	3.5
132.02931	0.5
133.02846	2.2
134.03639	69.9
135.04222	2.0
136.01534	1.0
137.02362	8.8
139.00337	0.5
139.03914	2.2
141.26657	0.6
145.02892	0.5
147.04425	5.5
148.05202	1.0
149.02351	22.0
149.05981	13.5
150.03137	42.9
151.00331	0.6
151.03767	2.1
152.03453	0.5
159.04393	0.8
159.61043	0.6
160.01578	8.6
161.02312	1.6
163.03928	1.9
164.04694	4.0
165.05492	40.3
166.05838	1.7
167.03410	1.3
173.04445	0.9
175.03935	16.5
176.04500	0.8
178.02640	21.7
179.03107	0.9
180.04239	3.0
191.03485	1.4
191.05478	1.0
192.04221	1.2
193.05000	100.0
194.05354	4.5
195.06561	23.2
196.06859	0.9
202.52879	0.5
205.06602	0.9
221.06110	1.3
228.27374	0.5
233.06050	1.1
234.06935	0.7
235.07782	0.6
239.07100	2.2
249.05594	0.7
250.06416	3.3
251.07114	0.9
253.08661	0.9
254.09471	1.0
265.08844	0.6
267.06622	2.6
269.10455	1.0
271.02579	1.2
282.08984	7.8
283.09222	0.8
285.03989	0.7
289.10739	0.7
297.11285	1.0
299.01910	1.5
299.05276	0.8
300.02744	1.9
301.03482	0.7
313.03345	1.2
315.05051	0.8
317.10422	1.1
326.07867	0.7
328.05698	1.0
333.09830	3.1
337.09409	1.2
341.10327	35.6
342.10736	2.8
343.08255	3.3
351.10867	1.4
352.11349	0.6
353.10645	0.8
359.07739	1.9
371.11401	6.3
383.13449	0.9
389.12445	27.6
390.07288	0.5
390.12637	2.2
390.17511	0.5
425.14215	0.6
447.16434	0.9
492.01105	0.6
521.23938	1.1
546.57013	0.5
565.16821	1.0
577.19745	0.6
611.19434	1.6
619.20374	12.9
620.21185	1.2
815.27161	2.7
848.99280	0.6
859.33203	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	859.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	16.4
71.01250	7.5
71.53300	9.2
77.76320	5.5
82.25230	5.3
113.02286	7.3
116.92688	7.2
145.30006	5.5
155.43085	5.5
171.10204	12.8
173.19016	6.2
209.11757	6.2
211.13394	9.8
235.08153	21.3
253.09320	26.7
277.21704	77.4
278.22156	9.1
309.20697	14.1
327.21783	100.0
328.21927	8.2
545.29779	9.7
563.30481	19.6
595.93237	6.6
619.38000	6.9
823.52325	12.7
859.49286	26.6
860.49670	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	861.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86446	3.0
71.01259	7.4
87.00760	27.4
87.14474	2.9
98.19776	11.9
99.00761	6.1
101.02386	4.5
109.02847	5.9
113.02357	5.5
116.92712	8.2
121.02823	8.4
123.00773	4.2
124.01614	4.0
125.02325	11.8
131.04944	4.0
135.04375	5.6
137.02341	16.4
138.03142	9.5
146.03658	3.7
147.04413	9.3
149.05992	3.9
151.00238	5.3
153.05382	5.2
159.04410	100.0
160.05237	20.1
161.02359	6.8
161.04697	3.7
161.05965	21.9
163.03947	6.5
173.02368	5.4
173.05986	35.0
175.03976	6.1
187.03879	8.4
199.03934	6.6
203.03386	8.3
213.14461	3.0
217.01300	4.0
234.05199	3.4
249.05551	8.6
251.07088	19.8
253.05084	5.1
265.05099	4.0
267.06534	6.0
269.04584	3.7
269.08295	5.0
271.06058	7.3
277.05017	24.2
278.05603	5.5
279.06567	17.4
281.04572	7.9
282.05362	10.7
286.08554	3.9
294.05515	4.3
295.06125	11.3
296.06790	5.1
297.07684	52.8
298.07971	6.5
299.09213	5.4
305.04758	6.0
310.08560	5.3
311.09396	3.7
312.10046	33.9
313.10349	5.7
321.03955	7.3
322.04788	7.8
323.05585	22.9
325.10812	7.9
327.12329	44.7
328.12961	4.9
337.07242	16.8
338.07877	24.5
343.08334	4.8
351.08698	12.1
353.10272	42.3
354.10538	6.0
371.11215	29.1
397.09250	26.3
407.14890	4.0
415.10544	6.7
423.07202	17.7
479.09894	10.7
735.17188	5.9
754.23828	4.1
773.23199	9.7
817.21796	12.8
843.19427	20.2
844.19910	4.2
861.20074	46.9
862.21436	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	855.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98681	0.9
69.03333	3.4
71.01255	8.3
71.04843	0.7
73.02773	2.0
77.90173	0.4
81.03291	0.9
83.01196	0.9
83.04835	1.3
85.02825	8.9
87.00756	2.6
89.02331	5.2
95.01192	0.9
95.04859	1.4
96.95826	1.4
97.02838	5.1
97.06464	3.6
99.00691	0.8
101.02319	8.3
109.06415	0.5
111.08036	6.8
113.02336	4.0
114.44250	0.4
119.03335	1.5
119.08512	0.8
123.04375	0.5
125.02298	0.6
125.09540	1.9
127.07471	0.5
127.11117	1.7
131.26494	0.5
137.09624	3.2
139.06197	0.4
139.11153	0.6
145.04900	1.6
147.04424	0.5
151.11180	0.8
153.12720	0.8
154.42334	0.4
155.10626	1.4
161.04443	3.9
163.11134	1.4
165.12799	3.7
167.10616	0.6
167.14313	1.0
169.12283	2.7
169.65553	0.5
171.10182	26.8
172.10535	0.8
177.12682	0.6
179.05475	1.0
181.12256	1.6
183.13823	3.4
185.11684	1.4
193.12212	1.9
193.15810	1.0
195.13747	0.7
197.11772	33.2
198.12029	1.8
199.13371	2.7
201.11183	1.4
203.10770	0.8
209.11736	2.1
211.13342	20.1
212.13640	1.2
221.11806	3.0
223.13322	1.2
227.12848	2.8
229.14388	11.4
230.14716	1.0
235.08200	10.1
236.08533	0.7
239.12813	1.6
247.20644	2.2
253.09273	39.1
254.09601	1.7
263.20142	1.8
265.18063	1.3
273.18582	1.4
284.03448	0.5
291.19678	32.7
292.20032	3.6
293.21198	3.3
309.20709	93.6
310.21030	8.4
325.20084	0.8
327.21765	100.0
328.22113	7.5
343.21262	2.8
381.47159	0.5
433.20834	0.9
463.78683	0.5
530.31317	0.5
545.29742	5.1
563.30780	5.8
564.31281	1.0
619.42017	5.1
620.42725	0.8
855.51630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	8.1
71.53831	2.4
73.02805	1.7
74.32130	1.3
85.02831	4.9
87.00758	7.4
93.03365	2.6
99.00755	2.6
101.02315	2.9
108.02057	69.5
109.02869	16.0
113.02314	3.1
121.02814	2.8
123.00828	2.1
123.04407	3.7
134.03664	1.8
135.04404	1.7
137.02339	2.7
142.82445	1.5
146.03627	3.1
147.04408	5.3
151.00281	3.1
151.03905	2.7
152.01067	100.0
153.01717	5.7
159.03159	2.8
159.04436	39.6
160.05141	5.8
161.02344	5.7
161.04665	1.8
161.05992	9.8
163.03911	10.4
172.05211	1.5
173.02405	2.1
173.05994	12.5
175.03908	3.5
177.01826	1.7
178.99773	1.4
187.03896	4.5
189.01935	2.0
191.05571	4.2
203.03459	3.3
204.04251	2.3
209.06012	1.7
225.05469	3.6
228.04431	1.7
229.01419	1.8
236.04755	1.5
239.07162	1.8
241.04980	4.9
249.05424	1.8
251.03284	1.7
251.07251	1.8
253.05016	6.3
254.05745	2.5
262.05981	2.2
266.05753	2.6
267.06693	9.8
269.04611	2.6
269.08163	3.6
271.06082	6.4
277.05042	4.2
278.05832	3.4
279.06583	10.0
280.07288	5.3
281.04535	5.9
281.08096	4.5
282.08987	15.7
286.08478	7.7
290.05905	3.2
293.04730	2.2
293.07962	1.6
295.09720	4.4
297.04065	3.5
297.07715	2.9
297.11249	13.7
301.10837	8.8
305.04672	1.7
306.05331	5.3
307.05994	12.7
308.06964	11.9
309.07568	2.0
312.06424	3.7
312.09940	3.0
315.07129	3.6
321.07687	11.7
323.09299	11.1
325.07214	5.3
327.08688	10.9
327.12335	3.2
329.10208	2.6
334.04773	3.4
343.11920	2.1
349.07108	5.4
353.10019	1.8
355.08267	2.2
361.41260	1.5
366.07364	2.0
367.08182	11.3
393.06342	9.6
397.09174	2.1
429.10342	5.4
441.07840	1.9
447.11508	15.7
448.11600	2.8
459.08948	2.9
771.21759	3.6
783.14514	1.9
797.19080	3.7
815.20239	8.9
841.18188	41.5
842.18597	8.0
859.24884	25.3
860.23987	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	855.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.1
66.30790	1.0
71.01259	16.9
72.99174	2.1
73.02813	8.9
83.01239	1.2
83.04893	4.4
85.02819	5.7
87.00755	10.5
89.02316	11.6
93.03317	1.6
95.01291	2.2
98.20673	2.1
99.00756	28.4
101.02333	7.8
107.04922	5.6
108.02054	3.1
109.02847	2.0
113.02325	8.0
114.43861	1.0
119.03387	2.3
119.04942	1.3
120.05708	3.3
122.03614	1.4
125.02358	1.7
131.03380	2.6
134.03624	3.3
135.04395	2.9
137.02348	1.4
143.03334	1.5
147.04398	2.8
149.04443	6.2
149.06023	1.3
152.04700	1.4
153.01907	1.3
159.04308	1.1
161.04434	1.8
161.09627	13.1
161.13251	8.4
163.11221	7.8
175.03888	1.3
187.11201	14.3
189.09131	5.4
189.12723	3.0
191.03894	1.3
191.05582	7.7
193.04933	2.3
203.05531	2.7
203.10751	2.1
205.12277	10.6
207.10216	11.4
208.10486	1.2
211.13481	1.5
223.13341	35.9
224.13701	1.8
224.47488	1.2
249.11296	19.0
254.00659	1.3
267.12387	18.7
284.03036	1.2
315.07291	2.1
339.07343	2.1
343.08005	1.5
429.21439	2.0
519.24316	2.6
561.25580	28.6
562.25903	5.2
668.07959	1.6
716.06049	1.2
769.36359	2.5
811.37598	100.0
812.38007	27.6
855.36725	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	8.8
63.65683	1.9
71.01255	21.4
71.04900	2.7
71.54232	1.8
71.54676	3.8
73.02797	12.2
75.00742	2.4
78.95805	3.3
80.96391	2.9
83.01279	4.2
83.04909	4.9
85.02827	8.3
87.00761	21.5
88.08401	1.9
89.02320	15.9
93.03325	3.4
95.01262	2.8
95.04896	2.2
96.95877	3.9
99.00764	34.7
101.02346	9.9
107.04915	6.7
108.02038	4.1
109.02775	2.3
112.32285	2.0
113.02358	12.7
116.92728	2.0
119.04931	3.6
121.02861	5.0
121.67939	2.1
122.03590	2.1
125.02357	3.6
131.03436	4.9
132.02094	3.1
134.03658	8.8
135.04417	5.9
137.02328	4.3
145.02890	3.3
147.04442	9.8
148.05078	1.9
149.04472	6.7
149.05965	5.6
150.03102	2.4
151.03864	2.0
152.01054	3.3
155.03395	3.5
160.01570	3.0
161.04466	2.8
161.09685	14.7
161.13272	9.2
163.03896	3.3
163.11200	8.6
165.05486	5.5
173.06027	2.3
175.03865	3.3
187.11250	20.4
189.09113	7.8
191.03612	2.6
191.05568	7.5
193.05011	11.5
205.12263	9.1
207.10205	13.4
211.13417	2.8
212.74991	2.2
223.06047	3.1
223.13341	45.0
223.15378	3.9
249.11305	21.8
250.11571	2.2
255.02776	2.6
267.06662	3.1
267.12436	16.6
268.12585	3.0
297.04086	4.7
300.02695	2.3
313.03622	4.0
327.08798	2.5
343.08200	9.3
344.08588	2.2
353.10410	4.6
358.07492	2.6
387.19897	2.4
423.15030	2.2
519.24561	3.4
561.25574	31.4
562.25940	5.2
565.80981	2.2
769.36963	2.4
811.37555	100.0
812.37952	27.1
855.38568	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	855.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20895	1.1
71.01263	16.2
71.03098	2.5
72.99190	1.4
73.02825	9.7
74.42093	1.2
78.69176	1.1
83.01256	3.0
83.04913	3.2
85.02828	4.7
87.00763	6.8
89.02325	13.7
93.03301	1.8
95.01251	1.0
97.06456	2.8
99.00765	27.7
101.02309	6.8
107.04935	6.9
107.37191	1.2
108.02057	1.8
109.02829	1.7
113.02350	10.2
119.03349	2.1
120.05692	2.3
121.02833	1.4
123.04434	1.0
125.02330	2.9
131.03394	2.6
134.03639	2.9
135.04422	3.2
135.11749	1.2
137.02368	2.4
145.02835	1.5
147.04422	4.3
149.04451	7.3
149.05966	2.1
150.03117	1.7
152.01013	1.5
152.04643	1.4
155.03448	1.2
159.08104	1.8
161.02322	1.8
161.04524	2.6
161.09644	10.6
161.13287	6.0
163.03979	1.3
163.11177	5.1
175.03844	1.2
187.11220	18.2
189.09210	5.5
189.12772	2.2
191.05530	8.2
192.04269	1.6
193.04967	3.8
203.05553	2.1
205.12285	10.8
207.10159	11.4
223.13359	35.9
224.13795	3.2
227.03494	2.1
233.06581	2.1
249.11311	20.8
255.02946	4.3
267.12405	16.1
284.03183	3.7
327.44611	1.5
333.09686	2.0
482.50208	1.2
501.23294	1.8
519.24420	1.9
561.25537	32.8
562.26178	5.1
562.33722	1.4
563.34491	2.0
769.36768	1.5
811.37640	100.0
812.38092	24.0
855.38763	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	855.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	1.2
63.02274	0.9
63.18173	0.6
65.00205	1.6
67.60770	0.6
71.52882	1.1
80.43202	0.7
83.01275	1.1
85.02834	0.8
87.00762	2.8
93.03327	1.6
96.51328	0.7
99.00817	0.6
101.02348	1.1
107.01280	2.8
109.02810	1.0
113.02370	1.0
117.03353	0.8
119.04931	1.2
120.44096	0.6
121.02865	1.4
129.78909	0.6
132.02042	2.0
134.03661	2.5
135.00755	1.3
135.04417	1.0
137.02353	1.3
143.04895	0.9
147.04494	3.7
149.05988	0.9
150.03108	0.9
151.00287	5.0
152.01114	1.2
153.01851	0.7
159.04376	1.3
160.01552	0.8
163.00270	1.5
163.03896	0.9
164.01083	0.9
165.05547	1.1
169.01350	0.8
173.05844	0.7
175.03891	1.5
178.99835	1.8
183.04390	2.4
185.02333	0.7
185.06009	1.1
187.03947	2.2
190.02588	0.8
191.03386	3.0
191.05428	1.2
193.04993	2.5
199.03970	1.0
209.11787	1.2
210.12007	0.8
211.03934	3.0
223.13420	0.8
227.03452	54.0
228.03828	4.6
229.05083	3.0
239.03452	1.3
255.02975	95.8
256.03503	11.3
257.04358	3.0
257.39291	0.6
269.93857	0.7
283.02454	4.0
284.03265	100.0
285.03906	25.1
286.04425	1.7
313.03427	2.1
327.05008	1.2
333.09711	1.9
343.08206	2.5
344.08548	0.9
351.10797	0.7
648.22528	0.7
707.18250	8.8
708.18140	1.8
728.55664	0.7
811.37231	1.9
855.23334	47.6
856.24023	10.5
856.39746	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	855.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	0.6
63.02277	1.5
63.85149	0.6
65.00203	1.4
69.37571	1.8
69.37989	3.3
73.02822	0.7
75.00768	0.8
83.01270	1.4
85.02836	0.8
87.00771	2.1
89.02322	1.1
91.01757	0.7
93.03351	2.5
96.95885	2.3
98.19712	1.3
101.02338	1.1
107.01263	2.4
108.02071	1.0
109.02843	0.7
113.02305	1.2
117.03324	0.9
119.04912	1.8
120.29108	0.7
121.02864	1.7
123.04403	0.7
132.02086	1.4
134.03647	3.3
135.00777	1.5
137.02321	1.6
140.30684	0.6
147.04446	3.6
148.01581	0.9
149.02364	1.3
149.05969	1.5
150.03055	1.5
151.00250	3.8
152.01057	1.3
153.01830	1.6
159.04445	1.2
160.01552	0.8
163.00270	1.9
163.03914	1.4
164.01039	0.8
165.01823	0.9
165.05460	1.3
175.03972	1.4
178.99858	1.4
180.04323	0.8
183.04449	2.6
185.06032	0.8
191.03383	1.6
191.05467	0.9
193.04979	2.5
199.03986	1.9
201.11308	1.5
209.11787	2.3
210.12157	1.1
211.03923	4.1
213.05577	1.1
227.03453	53.2
228.03873	3.2
229.04959	3.4
239.03543	3.9
241.05074	0.9
255.02969	100.0
256.03491	12.6
257.04526	4.1
283.02524	3.2
284.03262	98.6
285.03918	23.2
286.04510	1.1
309.73413	0.7
313.03351	0.8
333.09781	1.0
343.08218	0.8
454.51996	0.7
483.94583	0.7
707.18347	14.1
708.18262	2.2
811.38416	1.1
822.37946	0.7
855.23419	38.3
856.23676	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	855.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.7
63.02264	0.8
65.00191	1.5
71.01245	0.6
71.52949	0.3
79.60231	0.2
83.01241	0.7
83.51644	0.2
89.02308	0.2
91.01750	0.3
93.03344	0.3
95.01303	0.2
96.95898	1.3
98.36586	0.2
100.55913	0.2
101.02320	0.4
107.01279	2.4
108.02060	1.9
109.02850	0.8
116.92738	0.8
121.02856	1.4
124.01518	0.4
125.02331	0.2
130.08681	0.2
133.23479	0.2
135.00792	1.1
135.53276	0.2
147.00792	0.2
147.04495	0.2
148.01561	1.4
151.00275	8.6
152.00679	0.4
163.00266	1.2
164.01044	0.7
169.01350	0.8
171.10162	0.4
174.03229	0.2
175.03906	0.3
178.99796	5.3
180.00266	0.3
183.04430	0.4
187.03970	0.6
192.00655	0.3
193.12234	0.3
197.11810	0.5
198.03149	0.5
199.03975	1.2
203.03413	0.4
209.11749	0.3
211.03926	0.8
211.13348	0.4
215.03427	0.9
216.04179	0.4
225.14911	0.6
226.02669	2.0
227.03432	3.1
228.03821	0.3
229.01364	0.4
229.05090	0.3
235.08199	0.3
239.03465	0.2
241.14456	0.3
243.02975	12.5
244.03362	1.2
245.04408	0.5
253.09300	1.1
254.02182	2.6
254.09552	0.3
255.02963	29.6
256.03308	2.0
271.02472	65.8
272.02917	6.6
273.03949	0.9
277.21606	0.9
283.02457	0.6
293.21173	1.8
294.21460	1.2
295.21832	0.2
299.01996	2.9
300.02737	100.0
301.03351	18.0
302.03894	0.9
309.20670	0.3
327.21756	0.3
341.23300	2.7
342.23676	1.8
343.04578	0.3
343.23859	0.4
355.04596	0.2
445.07770	0.5
463.08890	0.5
577.11969	7.4
578.12329	0.9
578.32642	0.2
595.13037	16.7
596.13391	2.1
618.44836	0.2
708.53790	0.2
855.34436	35.4
856.34723	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	855.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24336	0.6
61.98700	1.3
63.02279	0.8
65.00204	1.4
69.03321	0.9
69.43382	0.7
71.01242	2.7
80.96367	0.9
83.01258	0.8
84.51350	0.7
85.02816	0.9
85.60764	0.6
87.00780	1.0
89.02328	1.6
96.95881	7.6
97.06467	2.7
101.02322	2.0
101.26640	0.7
107.01306	2.7
108.02062	1.8
110.19817	0.9
116.92744	1.3
121.02812	1.1
134.03610	3.1
135.00792	1.0
139.62708	0.7
148.01579	1.8
148.66078	0.8
151.00279	6.9
161.04504	1.4
163.00214	1.0
169.01338	0.7
171.10223	4.4
178.99779	4.4
193.04973	2.7
193.12238	2.5
194.05408	0.8
194.12634	0.7
195.13824	1.3
197.11745	2.0
199.04039	0.9
209.11743	1.1
211.13272	2.2
223.13400	1.5
225.14864	4.1
226.02652	1.9
226.15283	1.9
227.03490	3.4
235.08153	1.3
241.14415	2.8
243.02959	13.4
243.15990	1.4
244.16425	0.7
253.09254	8.3
254.02194	3.2
254.09642	2.6
255.00253	1.5
255.02953	31.3
256.03336	1.7
271.02472	69.4
272.02957	5.4
277.21747	6.6
293.21191	17.1
294.21579	11.9
295.21704	1.1
299.02023	2.6
300.02747	100.0
301.03345	12.1
309.20572	1.0
327.21835	1.3
341.23337	21.5
342.23654	16.7
343.23880	2.4
595.13037	2.3
617.44403	0.9
618.44080	1.2
619.44366	1.0
855.34412	54.3
856.34784	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	855.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95431	2.4
69.40092	16.8
69.86378	2.3
70.53925	2.1
71.01254	36.1
72.99178	11.3
73.02782	2.3
75.00761	17.7
83.01263	2.8
85.02826	27.4
87.00748	16.0
89.02332	6.4
89.03806	2.4
91.01800	3.3
95.01257	8.6
96.95894	4.8
98.20533	4.3
99.00765	15.5
101.02331	5.5
103.00221	2.6
108.02037	10.7
109.02872	5.9
111.00765	2.9
113.02335	28.4
115.00253	6.0
117.01795	2.7
117.03339	5.8
121.02882	5.6
123.04402	7.4
125.02361	2.9
131.04922	3.1
132.02072	6.7
133.02834	8.9
134.03630	68.3
135.04420	4.4
137.02357	4.3
139.00269	2.7
139.03929	2.2
143.04936	2.5
145.02837	6.3
146.03622	5.8
147.04410	8.3
149.02365	3.9
149.05997	9.6
150.03145	5.2
153.01904	2.9
159.04436	41.5
160.01558	19.6
160.05159	10.5
161.02344	14.0
161.04462	3.0
161.05956	8.0
163.03894	9.2
165.05460	6.7
171.04512	2.5
172.05211	6.2
173.02322	6.2
173.04562	4.3
173.05975	34.1
175.02510	4.4
175.03911	22.8
177.01814	3.2
178.02625	3.0
187.03908	8.0
188.04465	2.7
189.01822	11.0
191.03508	3.7
191.05531	3.3
193.03503	3.6
193.04997	28.2
195.06651	2.5
198.03026	3.7
199.03923	10.0
203.03589	3.8
209.06129	3.8
213.05585	3.3
217.01402	3.2
229.01373	9.0
237.05702	3.1
241.05029	4.2
242.02170	6.6
249.06061	12.2
251.07088	5.7
252.04306	2.6
253.04974	4.4
254.05568	3.1
261.05521	6.6
262.06299	5.9
263.07202	7.6
264.07834	3.2
265.05087	7.3
266.05801	9.5
267.06958	35.3
268.07327	4.2
269.08240	3.2
277.04984	8.7
278.05801	11.8
279.06555	25.9
280.04083	3.0
280.07327	19.4
281.08118	14.7
282.05994	3.8
282.08960	22.9
289.05063	7.4
290.05804	8.9
291.06693	8.7
293.04672	3.9
295.09576	11.5
296.10339	2.6
297.07935	3.9
297.11209	21.5
300.83893	2.5
305.04523	3.5
306.05295	17.9
307.06122	53.2
308.06891	51.4
308.10455	2.0
309.07468	4.4
313.03818	2.3
321.07639	19.1
322.08157	4.3
323.05362	2.8
323.09247	55.8
324.09518	4.2
327.08768	4.2
333.09872	2.5
334.04813	7.1
339.08563	2.4
349.07019	13.5
351.10681	5.5
361.16641	3.5
365.06775	3.3
366.07352	11.6
367.08130	13.1
393.06131	27.8
394.06458	4.9
423.07755	2.5
428.24979	2.6
443.11966	33.8
531.09314	17.1
575.07935	7.3
591.17255	9.4
635.16504	8.8
643.12781	3.2
661.14508	8.1
679.17389	3.2
735.16077	3.2
767.21600	15.9
793.19702	4.8
811.21112	23.9
812.21246	9.4
819.17078	4.8
837.18823	100.0
838.19403	25.0
855.19086	39.2
856.20239	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	853.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12999	0.3
61.98698	1.3
69.03334	1.2
71.01254	5.2
72.01590	0.4
72.99175	0.5
73.02793	0.5
73.25876	0.4
75.00735	0.5
81.03335	0.4
83.01241	0.8
83.04888	1.0
84.02042	1.6
85.02828	1.6
87.00760	1.1
89.02314	4.1
95.01240	0.5
95.04884	0.6
96.95876	0.7
97.02824	0.6
97.06471	7.2
98.20638	1.1
99.00766	0.8
99.04394	1.1
101.02325	4.7
106.58198	0.4
111.08057	0.6
113.02326	2.8
113.09605	0.4
119.03389	0.8
121.10131	0.4
123.08038	0.5
125.02370	0.5
125.09618	1.4
134.03635	8.9
135.03894	0.5
137.09657	1.0
149.05980	0.5
160.01590	0.9
161.04457	2.4
165.12790	0.8
167.10741	0.4
171.10178	9.1
175.03943	1.1
175.11285	0.7
177.12791	0.5
179.05560	1.0
179.14337	0.7
185.11722	0.7
193.05003	8.0
193.12268	10.8
194.05370	0.4
194.12697	0.6
195.13841	6.5
196.14444	0.6
197.11771	1.0
197.15378	0.6
205.12239	0.4
209.11800	1.1
211.13335	4.0
221.11789	0.9
223.13380	5.2
225.14911	16.8
226.15273	0.9
228.13509	0.5
230.26096	0.4
235.08171	2.3
235.12871	0.4
235.17020	0.7
239.12770	0.6
243.16000	8.2
244.16020	0.4
253.09270	27.9
253.14476	0.9
254.09618	1.6
255.02818	0.5
256.13181	0.6
265.21652	0.6
273.18506	0.4
275.20145	5.1
277.21567	0.4
289.18231	0.5
291.19659	1.9
293.21225	81.7
294.21536	7.5
307.19107	0.8
309.20618	0.9
323.22391	1.5
341.23312	100.0
342.23679	9.8
405.36191	0.4
506.40900	0.4
529.30145	0.8
577.32355	4.1
578.32550	0.6
617.44171	7.9
618.44470	1.8
853.48383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	7.4
69.03317	2.8
71.01250	9.9
71.04873	2.0
71.54105	0.9
73.02811	1.9
75.00716	3.2
75.59332	0.6
78.95778	1.0
79.95575	0.8
80.02538	0.7
81.03307	1.2
83.01249	1.9
83.04891	1.3
85.02818	9.6
87.00735	2.3
89.02323	4.2
95.01274	1.1
95.04915	1.0
96.95883	6.7
97.02776	1.1
97.06445	1.6
98.03615	0.9
99.00742	3.0
101.02325	5.7
106.04086	0.9
109.06461	7.7
111.04404	2.3
111.08020	1.3
112.72981	0.7
113.02326	5.2
119.03373	2.0
123.04510	0.8
123.08035	1.5
127.07561	1.0
127.11141	1.2
137.09608	2.5
143.10701	1.0
144.60455	0.7
145.04977	1.0
145.06442	1.3
149.05853	0.7
149.09598	0.8
161.04446	2.6
165.12808	0.8
167.10648	2.1
171.10172	16.5
172.10562	1.0
179.05362	0.8
179.10556	1.0
183.13867	1.8
185.11868	1.2
195.13815	3.0
197.11780	1.4
201.11049	1.0
209.11781	1.5
211.13312	9.5
221.11714	1.5
227.12852	0.8
229.14377	4.8
235.08182	9.5
236.38464	0.7
239.12650	1.0
245.19090	4.3
253.06697	1.2
253.09264	18.0
254.09645	1.3
271.17148	1.4
273.14801	0.8
287.16483	1.4
289.18091	100.0
290.18396	9.9
291.19580	2.9
307.19180	5.5
309.20663	6.4
310.63205	0.8
327.21756	64.0
328.22086	5.2
525.26892	5.9
545.29877	0.8
563.30640	1.9
599.40009	1.2
852.48523	2.3
853.48773	23.3
854.48242	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	853.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61866	0.6
61.98705	5.5
69.03332	2.8
69.12759	0.6
71.01259	10.2
71.04887	0.9
71.53825	0.9
72.99181	0.9
73.02810	2.0
78.95773	1.9
80.02564	0.7
81.03333	2.3
83.01249	2.7
83.04873	2.1
85.02828	9.1
87.00752	2.8
89.02322	4.4
95.01288	1.0
95.04894	2.3
96.95875	1.7
97.02843	2.6
97.06467	6.1
99.00776	0.9
100.03812	0.7
101.02334	9.2
107.04968	0.7
108.87677	0.6
109.06461	1.9
111.04401	0.8
111.08027	1.4
113.02320	4.1
119.03374	1.0
119.08557	1.0
121.06486	0.6
121.10095	0.6
123.04408	2.2
123.08025	1.0
125.02328	1.2
125.05989	0.8
125.09606	5.5
127.11211	1.2
135.08046	0.9
137.09610	4.7
139.11162	0.6
143.03386	0.9
145.04980	1.0
147.28607	0.6
149.05956	0.7
149.09587	0.6
151.11183	0.9
155.10664	1.3
161.03275	0.7
161.04446	3.7
161.09578	0.7
162.10257	0.9
163.11197	5.6
165.12787	3.0
167.10629	0.6
167.14417	0.8
171.10181	27.6
172.10559	1.3
175.11194	0.6
177.12691	1.3
179.10632	0.6
181.12247	1.6
183.13826	3.4
185.11739	6.3
186.12102	0.6
191.10672	0.9
191.14351	6.4
193.12259	1.4
195.13841	1.1
197.11763	6.0
201.11185	1.3
203.14555	0.7
207.10193	2.4
209.11742	19.0
210.12122	1.3
211.13342	17.9
212.13643	1.0
221.11775	2.7
221.15520	0.7
223.13295	2.0
225.11363	2.7
225.14877	0.8
227.12839	1.8
227.17862	0.6
229.14432	8.7
235.08205	9.6
237.11319	2.8
237.14830	1.0
239.12778	1.6
243.17320	0.7
245.19084	11.6
246.19446	0.8
247.20584	0.7
253.09264	33.5
254.09729	1.6
263.20032	3.1
271.16919	1.4
279.19852	0.6
281.21158	0.9
289.18100	53.0
290.18420	3.4
291.19702	7.7
292.20059	0.6
293.21176	7.5
294.21835	0.6
307.19138	56.2
308.19421	5.5
309.20712	17.9
310.21115	1.4
325.20218	7.8
327.21759	100.0
328.22144	7.2
337.74786	0.6
341.19724	2.3
355.37109	0.6
445.20709	1.1
525.27008	1.3
543.28198	2.8
545.29773	1.2
563.30316	3.5
617.40247	2.0
755.41681	0.6
808.05780	0.7
848.03937	0.7
853.49164	2.5
854.49860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	0.6
69.03321	0.6
71.01250	4.4
73.02849	1.0
74.97870	0.4
83.01265	0.6
83.04952	0.4
84.02061	2.2
85.02835	1.7
87.00757	1.0
89.02320	1.9
89.03847	1.7
95.01266	0.6
95.83592	0.5
96.95912	1.3
97.02850	1.0
97.06466	2.2
98.19776	1.3
99.00754	0.5
99.04391	0.7
101.02339	2.7
106.04174	0.5
111.08058	0.5
113.02316	2.6
114.30898	0.5
117.03347	6.0
119.03409	0.5
119.04913	0.6
125.09675	0.7
132.02066	2.9
134.03636	97.9
135.04001	3.6
137.02321	1.0
137.09612	0.5
149.05992	7.7
160.01578	8.7
161.02205	0.6
161.04469	1.4
163.11299	0.5
171.10191	10.3
175.03926	12.2
176.04237	0.7
177.01857	1.4
178.02611	2.1
179.05508	0.7
181.12213	0.5
193.04999	100.0
193.12241	3.2
194.05325	4.9
195.13828	6.4
197.11708	1.3
203.03426	0.6
209.11784	1.9
211.13354	2.7
223.13365	2.7
225.14912	4.8
235.08255	3.0
243.15973	2.1
253.09273	15.9
253.14505	0.7
256.13214	0.5
269.10242	0.5
275.20163	4.5
289.17950	1.0
291.19696	2.4
293.21228	65.1
294.21545	3.3
307.19150	1.3
309.20782	1.0
323.22098	0.9
327.21765	1.6
331.14105	0.5
341.23337	46.3
342.23627	2.0
377.72659	0.4
383.13516	2.9
529.29840	1.1
577.32477	1.7
592.53943	0.4
617.44019	3.4
659.34601	0.7
821.24689	0.7
853.40472	1.6
854.39178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98405	0.2
69.88312	1.1
79.98804	0.3
88.86308	0.2
105.12318	0.2
141.04445	0.2
174.04492	0.2
189.69440	0.2
471.02850	0.3
503.31891	0.3
853.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	1.8
62.22822	0.9
65.00191	1.2
70.53969	0.9
71.01254	9.3
71.21809	1.0
72.99169	1.1
73.02808	2.7
73.36716	1.1
75.00744	1.3
83.01258	1.2
85.02813	5.7
87.00748	18.8
87.16335	1.0
91.01756	1.5
93.03366	1.4
95.01231	1.2
96.95889	2.6
99.00737	5.3
101.02322	2.9
108.02061	6.6
109.02831	9.8
113.02346	5.1
117.03342	2.0
119.04916	5.9
121.02821	1.8
122.03620	1.5
123.04401	5.8
130.99747	1.0
131.04915	2.0
132.02074	1.5
133.02855	1.4
134.03622	1.9
135.04433	3.2
137.02312	2.5
137.05818	1.1
145.02855	7.9
146.03606	3.0
147.04443	10.8
147.06427	1.3
149.06055	1.2
150.03094	1.7
159.04419	37.5
159.05763	2.0
160.05193	7.0
161.02365	11.1
161.04543	2.3
161.05971	12.6
162.03107	6.9
163.03931	9.2
165.05418	1.9
172.05205	1.5
173.02342	7.4
173.05971	12.1
174.03160	3.7
175.03908	13.3
176.04657	2.5
177.01840	1.7
178.33896	1.1
185.05972	2.0
187.03894	4.1
188.04675	2.0
189.01822	1.8
189.05453	4.0
191.03348	1.9
193.05003	3.0
195.06544	1.3
196.05219	1.2
197.05971	1.0
199.03941	1.9
199.07576	1.1
203.03436	3.8
204.04201	3.7
205.04974	2.7
209.05983	1.2
211.07512	1.2
212.04747	2.3
213.05482	4.9
219.03043	1.2
219.06532	2.2
224.04639	2.0
225.05540	2.4
226.06197	1.8
227.06982	3.6
237.05431	3.1
238.06258	3.4
239.07030	4.5
240.04237	3.7
240.07788	1.0
241.05017	14.8
242.05421	1.6
243.85556	1.4
249.05620	1.4
253.05122	6.2
253.08571	1.0
254.05800	11.5
255.06602	17.5
256.07376	60.4
257.07794	5.4
264.04434	1.9
265.04968	5.5
266.05804	12.7
267.06750	13.9
268.07260	1.4
269.08200	8.8
270.08789	1.5
271.09738	32.0
271.12671	1.8
272.09998	3.6
278.05612	1.3
279.06583	4.2
280.03629	1.9
280.07321	2.7
281.04535	12.0
281.08145	8.8
282.05316	22.7
282.08896	16.3
283.05783	3.6
284.06738	2.5
290.05884	2.1
295.06165	16.4
295.09424	1.8
296.06918	11.0
297.07657	37.7
297.11288	19.9
298.08252	7.0
298.11493	2.1
299.09280	8.9
306.05405	1.6
307.06201	8.6
308.06894	7.5
309.03925	1.5
309.07315	1.6
310.70749	1.3
313.10846	8.9
315.08762	1.7
321.07526	1.7
323.09293	10.7
324.06003	1.4
325.07269	8.4
326.07742	2.2
339.08698	3.8
341.10278	8.7
367.08173	10.2
369.06186	3.0
385.09338	2.4
393.06412	2.1
411.07132	4.9
423.14786	1.8
429.08163	14.2
430.08426	1.5
484.01743	1.1
707.19940	1.1
721.23102	1.3
793.22095	5.1
817.22192	2.7
836.65967	1.4
853.24054	100.0
854.24353	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	847.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
61.98705	0.9
63.96136	0.6
69.03336	0.7
69.97436	2.2
71.01255	4.9
73.02818	1.2
74.09704	0.4
78.95779	58.6
78.98479	3.4
79.95611	8.9
80.96396	38.7
81.03351	0.6
82.95996	0.7
82.96867	0.4
85.02814	1.4
86.62431	0.5
87.00762	1.8
94.97968	8.3
95.04932	0.5
96.96851	13.0
96.97485	0.8
97.02821	1.1
99.00743	0.9
101.02344	1.3
106.97985	1.6
110.98399	0.5
111.08131	0.5
113.09602	0.8
114.16093	0.5
116.15869	0.5
116.97138	0.5
122.97504	2.3
124.48158	0.4
125.02326	1.4
134.97476	2.2
134.98419	0.8
136.99071	0.7
139.69463	0.5
141.01602	1.5
141.09230	0.5
147.04332	0.7
148.99048	3.3
152.99532	14.1
164.98557	4.5
171.10181	0.8
179.14346	0.9
195.13844	4.5
196.14435	0.6
201.08968	0.4
202.13698	0.5
206.99637	0.9
211.13286	1.3
223.00092	4.2
223.13408	2.5
225.00703	6.2
241.01173	25.2
242.01448	0.8
255.23285	36.4
256.23627	4.0
259.02310	2.1
269.24860	0.6
275.20230	2.8
276.20193	0.5
277.21713	1.0
279.23224	1.0
293.17984	1.1
293.21222	15.6
294.21637	1.3
297.03741	1.1
315.04675	0.6
391.22507	3.3
429.20401	1.3
537.26770	0.6
544.51807	0.5
553.27753	2.8
591.25262	1.5
669.45447	0.6
847.49548	100.0
848.49805	24.3
859.91522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.8
60.45750	0.4
61.98704	21.5
63.78676	0.5
67.01743	0.9
68.99689	2.9
70.03975	1.2
70.04386	1.0
71.01254	26.2
72.01579	0.5
72.99173	2.1
73.02820	3.3
75.00745	14.8
75.17620	0.4
77.18298	0.4
83.01258	3.5
85.02822	18.1
87.00738	2.1
89.02317	6.1
95.01254	4.2
96.95904	2.2
98.20485	0.7
99.00755	17.8
101.02312	2.8
111.00776	0.8
112.01553	0.6
113.02332	10.3
129.01740	0.6
131.03401	0.8
133.02827	0.7
134.03645	0.7
147.04361	1.2
157.01372	1.2
171.10156	1.4
185.11798	0.5
193.05005	0.7
206.12868	0.4
209.11755	1.6
211.13329	1.0
225.11194	0.6
227.12895	0.5
255.50557	0.6
260.39441	0.6
274.02121	0.4
289.18021	1.6
306.18784	0.5
389.28333	0.6
397.13593	0.8
439.35934	0.7
465.37265	1.7
701.42419	1.6
775.46661	1.0
775.89581	0.6
851.47974	100.0
852.48328	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	850.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98703	100.0
62.99171	0.2
71.01261	0.9
71.20097	0.4
80.96369	0.2
87.00782	0.5
89.02316	0.4
90.38929	0.2
96.95914	0.5
121.02829	0.2
125.02323	0.2
133.02869	0.2
134.03717	0.2
137.02359	0.3
147.04448	0.2
153.31570	0.2
165.51242	0.2
171.10265	0.4
193.05029	0.4
199.21849	0.2
209.11801	0.8
211.13524	0.2
225.11380	0.3
269.37909	0.2
289.18130	0.3
291.19925	0.2
350.68115	0.2
397.13647	0.3
402.94748	0.2
438.15884	0.2
477.57047	0.2
488.75195	0.2
602.20868	0.4
851.44177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19141	1.8
69.73243	5.9
69.73643	3.9
71.81908	1.7
87.00743	17.5
89.24550	1.5
97.90111	1.7
98.19860	2.1
98.62604	1.5
99.00754	1.8
109.02795	3.9
121.02811	5.5
124.01521	2.4
137.02341	1.9
148.01488	2.0
158.44408	1.7
159.04440	2.9
161.02330	2.0
162.03154	2.1
163.03896	5.6
184.05029	2.0
185.05923	3.4
187.03934	5.4
199.03885	2.3
201.05473	1.9
201.15977	1.8
211.03795	1.9
212.20943	1.6
213.05353	2.8
227.03378	7.2
228.04123	5.1
229.01212	2.0
229.05016	10.3
230.05296	1.8
241.05072	3.8
242.02177	2.5
243.02922	5.8
244.03792	4.0
253.04951	2.4
255.02809	7.3
255.06548	3.6
256.03711	2.7
257.00827	3.0
257.04590	3.4
258.01566	5.0
259.02332	2.3
267.02933	3.8
269.00967	3.4
271.02469	9.3
271.05182	1.6
272.03183	6.1
273.03967	14.6
280.03680	2.4
281.04575	2.4
283.02438	2.9
283.05688	2.1
285.04257	2.3
296.03442	2.3
297.03799	2.8
299.05536	4.9
300.02661	2.6
301.03485	6.0
326.62186	1.9
330.05084	2.0
335.05600	1.9
347.05441	3.2
349.07034	4.7
365.06570	3.8
375.04965	4.6
377.06747	2.4
393.06104	9.5
394.06674	4.6
404.05197	2.0
404.13159	1.8
405.06058	3.9
407.04132	4.0
418.03372	3.5
419.04196	3.7
421.05600	7.3
422.06427	80.9
423.07089	21.2
448.08032	8.4
450.05847	3.3
464.07297	5.4
465.08133	2.3
474.05850	3.7
555.07709	5.0
717.16425	4.6
729.18622	2.1
760.51349	1.9
787.17145	4.0
789.15094	13.6
790.15564	3.3
809.09528	1.8
813.14246	8.3
849.17212	100.0
850.17566	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	849.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67701	4.0
79.38595	1.5
85.34998	1.4
87.00756	16.5
109.02821	5.1
111.00755	1.8
121.02841	7.4
124.01540	2.4
129.36340	1.6
133.02861	1.9
137.02286	2.0
139.03914	2.0
143.61203	1.6
148.01662	2.2
149.02351	3.6
151.00253	2.8
163.03886	4.9
187.03926	7.0
189.01874	2.1
205.04980	3.4
211.03931	1.7
213.05460	2.4
215.03528	2.3
217.04929	1.5
227.03419	4.2
228.04213	4.2
229.05011	11.4
240.04175	2.8
241.05020	3.0
242.02129	3.6
243.02963	5.5
244.03720	2.3
253.04932	2.8
254.05779	2.5
255.03009	7.5
255.06474	3.5
256.03464	2.1
257.00864	5.0
257.04413	4.0
258.01617	4.4
259.02295	2.8
267.02939	2.9
268.03555	1.7
269.00961	1.9
269.04492	2.4
271.02524	10.5
272.03162	4.4
273.03973	13.2
280.03485	2.4
281.04465	5.9
283.02258	1.8
286.26376	1.8
298.04926	2.0
299.01895	2.6
299.05450	4.0
300.02753	3.4
301.03531	5.7
325.03183	2.4
343.04727	2.0
344.37085	1.6
347.05292	2.0
349.07010	4.3
365.06631	5.1
375.05112	4.2
377.06537	3.4
393.06223	9.2
394.06931	2.4
404.05490	1.9
405.06293	3.7
406.03210	2.0
407.04123	4.7
418.03394	2.6
419.04074	2.2
421.05432	5.8
422.06433	78.9
423.07056	21.3
424.07440	2.7
431.07556	2.3
448.08023	8.8
449.08841	2.9
450.06113	2.6
464.07428	5.2
465.07874	2.3
474.05725	1.9
555.07605	7.7
717.16681	5.1
743.18640	2.2
759.17889	4.9
787.16998	3.8
789.15155	16.6
790.15759	2.5
813.15497	6.2
849.17285	100.0
850.17737	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
61.98689	1.6
62.35835	1.4
62.72102	1.4
64.20966	1.4
68.99667	1.4
69.03329	1.4
69.24518	1.5
69.43948	1.6
71.01254	5.1
72.99164	1.8
85.02822	2.0
87.00757	5.1
92.38663	1.3
93.03350	3.0
96.95876	2.0
99.00769	1.9
101.02347	2.4
108.02066	1.8
109.02827	8.1
109.43761	1.5
113.02292	1.7
119.04928	1.6
121.02853	3.8
123.00791	4.1
124.01600	2.2
125.02357	2.2
134.03629	4.7
135.00679	1.5
135.04399	3.1
137.02342	30.5
139.03877	2.5
145.02844	1.8
147.04449	10.9
148.04997	1.8
149.02379	3.1
149.05931	2.2
150.03166	3.5
151.00285	17.5
151.03906	5.0
152.01042	3.1
152.04646	2.3
153.01834	2.0
159.04462	2.0
161.02336	3.5
163.03850	2.9
164.01067	1.6
165.01843	100.0
165.05521	4.8
166.02628	36.6
167.03383	2.9
174.03110	1.6
175.02618	1.5
175.03979	5.8
177.01857	3.2
177.05472	3.2
178.99834	1.6
179.03403	20.6
180.04196	60.9
181.04996	42.5
182.05298	1.9
187.03929	3.1
190.02621	1.6
191.03374	3.2
191.05432	1.3
192.04233	3.5
193.05009	7.3
194.05740	3.2
195.06558	74.3
196.06927	3.3
203.03401	1.9
205.05006	6.3
207.06456	2.5
210.05278	12.9
217.01393	1.8
220.07338	3.8
225.07642	65.6
226.08003	2.9
226.62280	1.7
243.03055	1.9
255.02983	3.4
271.02502	5.8
272.02856	2.3
273.03177	1.5
295.42078	1.6
300.02667	9.6
301.03140	4.6
302.03201	2.4
314.04276	1.6
333.09778	3.7
338.08264	2.6
341.10294	2.7
343.08313	3.5
344.08777	2.1
353.10339	6.4
371.11514	1.6
386.13370	2.3
387.10529	4.6
387.14526	5.5
388.11069	2.2
402.13321	6.2
403.13864	3.6
416.14859	3.3
417.15561	60.0
418.15854	7.3
565.20728	2.1
580.19440	2.0
595.21863	58.3
596.22107	10.7
597.37225	1.5
625.22205	1.8
643.23901	23.4
644.24127	5.9
724.18848	1.7
725.19507	1.8
829.30286	2.8
847.20435	3.2
847.33234	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	847.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.0
60.43174	0.7
61.98699	1.0
71.01257	4.1
71.54450	0.8
73.02821	0.9
83.01280	1.6
85.02817	1.6
87.00748	15.2
88.18544	0.7
89.02355	0.9
89.51343	0.7
91.01770	1.0
93.03342	2.2
101.02334	1.7
108.02059	1.0
109.02855	1.3
113.02311	1.8
119.04898	0.7
121.02854	2.6
122.03587	1.0
123.00793	2.8
123.04462	1.2
123.08068	0.9
124.01527	1.5
125.02309	1.1
130.99773	1.0
133.02849	0.8
134.03656	2.0
135.04407	1.7
137.02365	2.3
138.03127	2.5
145.02892	2.2
146.03604	1.3
147.04410	6.9
148.05075	1.1
149.02344	2.8
149.05989	1.5
149.99471	1.4
150.03136	4.3
151.00308	0.7
151.03928	1.5
152.01085	1.2
153.01874	0.9
153.05334	0.8
159.04427	12.8
160.01584	2.0
160.05168	3.0
161.02357	6.9
161.04713	0.7
161.05995	4.4
162.03098	2.1
163.03928	2.8
163.11168	1.3
165.05472	2.5
168.00566	1.6
172.05185	1.0
173.02457	4.1
173.05997	5.1
174.03168	1.3
175.03918	3.5
177.01698	0.9
178.02646	1.0
180.07901	0.8
187.03937	2.6
188.04655	1.4
189.01939	1.5
189.05557	1.4
189.12834	1.3
190.02705	0.9
191.03476	1.7
191.05600	1.7
192.04324	1.0
193.05032	3.4
193.80595	0.8
195.06517	1.2
197.06082	1.1
199.03926	1.5
201.01881	0.9
203.03482	2.4
204.04192	2.0
205.05042	2.8
207.02875	2.4
207.13849	1.4
209.06058	1.2
213.05557	2.5
214.06010	0.7
223.04018	0.8
224.04741	1.1
225.05566	7.2
227.03429	1.6
239.03290	0.9
239.07242	1.1
240.04161	0.8
241.05045	6.7
243.06572	0.8
249.05569	1.3
250.06671	0.8
251.03397	2.7
251.07018	2.3
252.04208	1.6
253.05072	12.0
254.05875	3.8
255.02888	2.1
256.03439	1.6
265.05060	1.2
267.06598	2.0
268.03836	2.1
268.07364	3.1
269.04535	22.7
269.07736	1.5
270.05234	7.7
271.02936	1.4
271.06085	11.2
272.02985	1.3
272.06647	1.2
277.05020	5.1
279.03003	4.1
279.06372	1.3
280.03833	2.0
280.06888	0.9
281.04645	7.5
282.05255	1.6
282.08942	0.8
283.06015	1.3
284.03680	1.3
284.06833	10.6
285.07626	7.7
286.08499	9.7
287.08969	1.2
293.04459	2.2
294.05194	2.3
295.05957	3.9
296.03293	2.8
296.06827	2.4
297.04044	15.2
297.07712	4.8
297.10709	1.0
298.04694	1.8
298.08154	1.6
299.09241	13.3
300.02798	3.8
300.09494	1.2
301.03113	1.9
301.10797	7.9
302.03311	1.4
302.11505	1.0
305.04575	2.7
307.02344	0.8
307.06180	1.1
308.06573	0.8
309.07654	1.1
311.05591	4.9
311.09329	2.4
312.06387	13.3
312.10083	3.0
313.07083	2.9
313.10406	1.0
322.04886	3.2
323.05594	5.7
325.03604	1.5
325.07159	5.9
325.10641	1.3
326.07935	9.5
327.08731	24.1
327.12372	5.7
328.09149	3.0
337.07224	5.3
338.08063	6.8
339.08499	1.5
340.05936	1.8
341.10364	1.2
343.11984	2.6
351.08661	1.5
353.10318	11.1
354.07227	1.7
354.10999	1.1
355.08182	3.5
369.09647	5.3
371.11279	3.1
382.07239	1.0
387.11008	2.3
397.09378	6.8
399.07129	1.3
421.17459	1.0
423.07504	1.1
441.08453	2.4
459.09338	5.2
715.29742	3.8
743.29364	2.1
785.29700	1.3
787.27698	4.7
829.30133	1.5
847.30463	100.0
848.30786	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	14.5
61.98703	26.0
66.71320	0.8
69.03307	1.7
71.00890	1.3
71.01260	13.1
72.99191	0.9
73.02813	2.6
75.00732	1.2
83.01240	0.9
83.04896	1.0
85.02827	3.3
87.00755	4.2
88.98674	1.8
89.02320	9.4
97.02811	2.0
97.06469	15.3
101.02335	9.1
113.02321	5.5
119.03374	1.4
123.08064	8.2
125.02380	2.1
125.09616	98.5
126.09928	3.1
143.03343	0.8
143.10641	2.0
147.04472	0.9
161.04488	1.1
169.08572	2.0
179.05542	1.6
187.09686	70.0
188.10037	3.4
191.05568	3.0
207.10132	1.2
209.11757	3.9
217.82391	0.7
221.06757	3.8
229.34909	1.1
235.08173	1.5
255.23271	1.4
277.21719	13.6
278.21967	1.7
312.68060	0.9
357.21924	0.9
368.31857	1.2
397.13617	2.4
397.67389	1.0
415.14819	1.7
567.22986	2.2
585.23932	6.8
616.28864	0.9
720.72961	1.0
782.50775	1.3
827.45654	0.9
845.45367	100.0
846.45673	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.2
61.98679	0.9
70.92222	0.9
71.01245	2.6
72.99173	0.8
75.00720	1.0
78.95772	1.4
81.03353	0.6
83.01271	0.8
85.02801	1.6
87.00748	6.0
89.02316	0.9
93.03328	0.7
96.95876	0.6
99.00765	0.7
101.02324	1.0
108.02030	1.3
109.02858	1.2
113.02320	1.2
121.02821	0.7
123.04404	0.6
125.02361	0.7
130.99709	1.0
133.02754	0.7
134.03584	1.9
135.04411	2.5
136.01520	1.5
137.02313	1.7
145.02794	0.8
147.00702	0.6
147.04407	1.7
149.02368	0.8
149.05934	1.3
150.03171	0.8
151.03888	3.1
152.00955	1.3
160.01483	0.6
161.02327	1.0
163.03931	0.6
163.07558	0.6
165.01820	0.7
165.12703	0.7
171.10242	0.5
173.00722	0.6
175.02341	0.6
175.03879	1.1
175.07498	0.5
177.01836	1.5
179.10539	1.3
180.10889	0.5
183.13858	1.1
185.05939	0.6
190.99669	0.6
191.03374	0.6
192.04149	0.9
193.04971	2.1
201.01720	0.6
209.11725	2.4
211.13359	0.8
226.02534	1.0
227.03151	0.5
227.12791	0.9
229.01309	0.8
236.76503	0.6
241.01271	0.8
241.05055	0.5
241.89803	0.5
242.02094	1.3
267.02991	0.8
268.03641	0.7
269.01013	1.1
269.04211	0.7
270.01593	2.2
271.02249	0.6
283.02557	1.1
284.03152	1.9
285.04022	5.4
295.02728	0.8
297.00519	1.0
297.03888	1.3
298.01016	1.3
299.02454	0.6
299.05594	2.0
301.10666	0.8
312.02679	2.0
313.03537	30.5
314.03851	2.6
314.07669	0.6
327.04974	3.9
328.05887	11.4
329.06277	1.5
331.02322	0.8
342.07388	3.7
343.08203	43.4
344.08533	4.1
359.02200	0.7
361.03394	0.8
375.01038	0.8
390.03732	0.9
403.00763	1.1
418.03427	4.6
419.03964	2.7
432.04453	0.7
433.05396	2.1
434.06281	0.7
448.07941	9.1
449.08591	3.3
461.09021	0.6
475.09100	0.8
477.08502	0.6
505.13132	1.9
581.09094	2.2
602.31897	0.5
611.14215	1.1
623.08417	0.6
636.12109	0.6
637.09467	0.7
643.18182	2.2
655.11450	1.9
667.14258	0.8
685.15991	3.6
686.15936	0.7
754.28021	0.5
787.22339	0.5
847.21002	100.0
848.21338	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	847.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
61.98689	1.6
62.35835	1.4
62.72102	1.4
64.20966	1.4
68.99667	1.4
69.03329	1.4
69.24518	1.5
69.43948	1.6
71.01254	5.1
72.99164	1.8
85.02822	2.0
87.00757	5.1
92.38663	1.3
93.03350	3.0
96.95876	2.0
99.00769	1.9
101.02347	2.4
108.02066	1.8
109.02827	8.1
109.43761	1.5
113.02292	1.7
119.04928	1.6
121.02853	3.8
123.00791	4.1
124.01600	2.2
125.02357	2.2
134.03629	4.7
135.00679	1.5
135.04399	3.1
137.02342	30.5
139.03877	2.5
145.02844	1.8
147.04449	10.9
148.04997	1.8
149.02379	3.1
149.05931	2.2
150.03166	3.5
151.00285	17.5
151.03906	5.0
152.01042	3.1
152.04646	2.3
153.01834	2.0
159.04462	2.0
161.02336	3.5
163.03850	2.9
164.01067	1.6
165.01843	100.0
165.05521	4.8
166.02628	36.6
167.03383	2.9
174.03110	1.6
175.02618	1.5
175.03979	5.8
177.01857	3.2
177.05472	3.2
178.99834	1.6
179.03403	20.6
180.04196	60.9
181.04996	42.5
182.05298	1.9
187.03929	3.1
190.02621	1.6
191.03374	3.2
191.05432	1.3
192.04233	3.5
193.05009	7.3
194.05740	3.2
195.06558	74.3
196.06927	3.3
203.03401	1.9
205.05006	6.3
207.06456	2.5
210.05278	12.9
217.01393	1.8
220.07338	3.8
225.07642	65.6
226.08003	2.9
226.62280	1.7
243.03055	1.9
255.02983	3.4
271.02502	5.8
272.02856	2.3
273.03177	1.5
295.42078	1.6
300.02667	9.6
301.03140	4.6
302.03201	2.4
314.04276	1.6
333.09778	3.7
338.08264	2.6
341.10294	2.7
343.08313	3.5
344.08777	2.1
353.10339	6.4
371.11514	1.6
386.13370	2.3
387.10529	4.6
387.14526	5.5
388.11069	2.2
402.13321	6.2
403.13864	3.6
416.14859	3.3
417.15561	60.0
418.15854	7.3
565.20728	2.1
580.19440	2.0
595.21863	58.3
596.22107	10.7
597.37225	1.5
625.22205	1.8
643.23901	23.4
644.24127	5.9
724.18848	1.7
725.19507	1.8
829.30286	2.8
847.20435	3.2
847.33234	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	845.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.7
61.40242	0.7
61.98685	2.3
63.47572	0.7
69.32115	7.2
71.01242	3.6
72.99174	0.8
85.02862	1.1
87.00759	3.1
88.98737	0.9
89.02319	1.8
91.05389	2.7
93.03332	2.5
95.04914	1.2
98.10308	0.8
98.19709	1.4
99.00809	0.9
101.02328	2.7
103.05410	1.3
105.03325	2.4
108.02034	1.3
109.02831	2.3
111.00742	1.1
113.02309	0.9
119.04897	4.0
119.55170	0.7
121.02829	7.3
122.03623	3.6
124.01530	2.1
125.02383	1.0
129.03305	0.9
133.02858	6.7
134.03693	4.9
135.04317	1.3
137.02344	66.0
138.02693	3.1
139.03909	22.1
140.04199	0.9
145.02846	3.3
146.03593	2.9
147.04422	100.0
148.05217	54.3
149.05728	3.6
151.00339	0.8
158.03513	1.0
159.04500	1.4
160.05226	1.1
163.03918	7.4
164.04662	4.4
165.01804	2.1
172.05214	1.6
173.06023	1.7
175.03923	2.4
179.03369	1.1
186.06812	1.0
187.03937	1.9
188.04723	1.9
189.05392	0.8
191.03426	2.8
192.04211	34.8
193.05000	9.4
194.05383	1.5
195.06458	1.3
207.02879	4.3
211.13300	2.0
216.07773	0.9
217.01346	2.8
218.02127	3.5
219.02875	1.0
224.03249	4.8
235.02464	1.5
236.03221	16.1
237.03989	4.1
243.02922	0.9
257.15274	1.0
271.02411	1.1
285.14923	1.4
297.14908	2.3
300.02753	2.8
301.03445	1.0
313.03561	2.6
313.18002	3.8
323.16504	5.9
341.17590	7.8
343.08252	5.3
357.17160	1.1
358.06897	2.0
359.18701	3.0
385.16574	1.5
403.17242	1.2
670.19763	0.9
739.31891	2.4
757.32819	3.3
783.31232	2.8
799.30939	1.0
801.31824	6.3
827.29999	6.6
828.29816	2.0
841.61749	1.0
845.30908	37.5
846.31451	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	845.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.2
69.26740	16.0
69.27168	10.0
71.01253	14.9
73.02792	3.9
74.95174	2.7
75.00713	3.3
85.02836	4.2
86.35455	3.0
87.00746	11.3
89.02319	4.8
93.03310	6.5
95.01237	3.4
98.20624	5.5
99.00794	3.6
101.02318	6.2
108.02054	3.8
109.02831	8.4
113.02345	6.0
119.04903	4.9
121.02837	5.4
132.60269	2.9
133.02824	4.8
134.03625	5.7
137.02324	11.7
139.03882	3.0
145.02806	2.5
147.04411	35.8
148.05167	11.5
149.02328	4.6
149.05988	6.4
150.03096	5.2
152.01071	3.7
153.01898	4.0
158.33408	2.6
159.04448	14.4
160.05275	4.7
161.02332	12.4
161.05943	6.9
163.03937	4.2
172.05193	9.6
173.05984	32.3
174.03072	7.1
174.06725	9.1
175.03827	4.2
175.07301	2.6
185.05992	10.2
186.06773	10.3
187.03941	12.7
187.07503	7.0
188.04633	4.0
188.08391	3.5
189.01918	4.2
189.05530	10.7
191.03435	4.0
193.04906	3.7
197.06036	5.8
198.06697	4.3
199.07393	4.3
200.04695	5.8
200.08327	6.5
201.05518	16.5
211.07538	5.0
212.08357	2.8
213.05400	4.8
215.07103	5.8
216.07825	16.6
217.04987	3.3
218.05882	3.1
236.14055	2.8
241.12328	3.3
255.02971	5.7
267.13895	4.4
271.02618	7.1
285.14905	8.2
297.14948	52.3
298.15329	5.9
299.01907	4.6
300.02737	9.1
300.13623	4.0
301.03427	5.7
311.12695	5.1
313.17838	3.5
315.16037	11.8
316.16373	3.5
323.16492	27.4
324.16907	4.6
327.01498	3.5
327.05124	4.8
328.02203	5.1
329.03012	4.3
332.71811	3.1
339.16229	4.0
341.17563	40.8
342.17627	4.0
343.04419	4.6
343.08191	3.4
351.10938	6.5
357.06223	9.0
358.06909	8.3
359.07828	5.7
359.18637	10.0
367.15900	3.9
378.12183	3.1
385.16623	5.6
475.55630	3.4
500.21854	2.9
507.12961	58.3
508.13141	10.5
533.11090	4.7
739.94696	3.6
752.04932	3.5
757.32861	9.0
783.30316	3.4
796.79584	3.5
801.31500	26.3
802.33563	4.7
827.29675	15.3
828.29944	4.7
845.30878	100.0
845.66254	3.7
846.31616	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	18.4
61.98707	8.7
69.03324	1.5
70.64799	1.3
71.00905	1.4
71.01256	15.7
71.19849	2.2
72.99184	1.4
73.02800	2.3
83.01251	2.2
85.02802	3.3
87.00731	4.0
88.98659	4.2
89.02313	12.4
95.04880	2.4
97.02834	1.8
97.06475	12.0
99.23151	1.2
100.68275	1.1
101.02322	9.0
113.02338	4.7
119.03403	2.4
123.08036	8.7
125.02335	3.6
125.09618	70.9
126.09946	4.0
161.04507	1.7
164.34758	1.1
171.10242	1.9
187.09694	37.7
188.10167	1.8
209.11739	3.2
221.06693	1.7
235.08284	1.7
255.23315	2.3
277.21722	29.1
278.22031	3.5
397.13535	7.1
415.14401	2.1
476.63287	1.2
544.57379	1.2
567.22900	2.6
585.23529	2.7
771.68243	1.3
845.45374	100.0
846.45740	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.4
64.51269	1.1
69.03328	2.1
71.01258	11.6
71.41219	1.5
73.02824	1.9
76.15678	1.0
76.90997	1.1
80.54890	0.9
83.01232	1.2
85.02824	4.2
87.00747	6.4
89.02323	4.9
93.03322	2.2
95.01240	1.1
95.04907	1.1
97.02909	1.1
99.00768	1.5
101.02326	5.0
108.02045	3.0
109.02848	4.0
113.02324	2.2
119.04916	2.3
121.02805	3.7
125.02367	1.5
133.02805	1.8
134.03592	1.9
135.04427	2.6
137.02361	12.0
139.00267	1.9
139.03891	2.6
141.62248	0.9
143.04884	1.1
145.02832	1.9
145.06558	1.3
146.03612	4.0
147.04419	29.3
148.05229	9.2
149.02325	3.1
149.05943	2.4
151.00226	1.3
152.01053	2.3
153.01927	1.5
159.04419	15.2
160.05193	5.5
161.02362	6.3
161.06003	5.9
163.03862	2.0
164.04669	1.2
165.05379	1.7
169.38341	1.1
172.05182	10.4
173.05988	26.5
174.03139	5.0
174.06795	8.9
175.03899	3.3
175.07280	1.1
176.04729	1.9
177.01793	2.1
183.04475	1.5
185.05984	7.1
186.06749	8.3
187.03970	10.4
187.05475	1.6
187.05992	1.3
187.07597	8.1
188.04588	2.1
188.08231	1.2
189.01904	1.5
189.05537	9.5
189.09129	1.7
191.03459	1.8
192.04187	1.7
193.05038	2.4
196.05205	1.5
197.05957	5.3
198.06746	4.0
199.07529	4.4
200.04726	3.4
200.08267	5.0
201.05501	16.2
201.09073	2.4
202.06003	1.2
211.07579	3.8
211.13324	3.5
212.08376	2.7
213.05434	3.3
213.08974	1.9
214.06343	1.9
215.07150	6.1
216.07863	17.3
217.08363	1.3
218.05742	2.0
221.06572	1.6
225.09225	1.4
229.12184	1.5
241.12303	2.4
242.05774	3.0
245.11948	1.5
260.06998	1.9
267.14084	1.4
269.15515	2.1
271.02734	1.5
271.13394	1.8
271.17157	1.1
283.13382	4.0
285.15085	5.0
295.06314	1.3
295.17032	1.3
297.14960	53.6
297.18054	2.1
298.15350	4.2
299.01825	1.5
300.02774	3.3
300.13690	3.4
301.14349	2.1
311.12988	5.5
311.16003	1.4
312.13568	2.1
313.18103	4.0
315.07394	1.9
315.16031	12.9
316.16290	1.6
318.14728	1.4
323.16501	28.5
324.16724	2.5
325.14441	2.1
327.04956	1.4
327.08588	1.1
329.02963	1.6
329.13849	2.0
330.14795	1.4
339.16019	2.9
341.17599	37.7
342.17868	4.0
343.08231	1.4
351.10776	3.1
357.06216	1.4
358.06799	1.4
359.18579	6.3
367.15494	3.5
383.05759	1.1
385.16599	4.2
403.17422	2.6
453.85654	1.1
493.30417	1.5
507.12982	9.7
508.13211	3.0
727.28174	1.9
739.31915	2.5
757.32910	11.1
758.33167	2.9
783.30933	6.1
801.31866	21.0
802.32562	4.2
809.28595	1.7
827.29742	16.6
828.30542	6.0
845.30847	100.0
846.31378	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.5
59.13295	0.7
60.54813	0.6
61.98698	1.4
68.99692	1.5
71.01262	4.3
71.53080	0.9
74.25185	0.7
75.00739	1.2
77.34225	0.6
79.05408	1.2
85.02828	1.6
87.00762	2.7
89.02321	2.4
91.05405	6.0
93.03338	3.0
95.04874	3.6
101.02334	2.8
101.03828	0.9
103.05421	2.1
105.03339	3.5
108.02088	2.5
109.02844	1.7
109.65351	0.8
111.00764	1.1
113.02353	1.4
117.03344	1.1
119.04917	6.1
121.02845	8.5
122.03685	4.3
123.04406	1.0
124.01569	1.4
129.03342	2.3
133.02875	6.2
134.03671	4.6
135.04410	2.4
135.32242	0.8
137.02348	50.5
138.01871	2.3
138.02795	1.0
139.03912	19.9
139.04947	1.1
145.02861	6.8
146.03661	5.0
147.04427	100.0
148.05219	47.4
149.02350	2.1
149.05988	3.7
150.03123	2.2
151.00192	1.6
151.03909	1.1
159.04364	1.2
161.02382	1.1
163.03940	6.2
164.04774	3.9
165.01828	0.7
165.05435	1.9
173.05942	1.4
174.03102	1.4
175.04004	2.2
176.84874	0.7
178.02640	1.5
178.99763	1.7
183.13815	1.0
187.03946	1.6
188.04781	1.7
190.02673	1.1
191.03473	4.2
191.05557	0.9
192.04216	32.2
193.05003	7.3
195.06563	1.3
207.02954	4.8
209.08086	0.8
211.13338	6.7
217.01324	5.0
218.02145	8.4
219.02824	1.1
224.03140	4.2
235.02530	1.5
236.03223	14.8
237.03827	4.4
243.02988	1.6
255.02982	4.2
271.02438	7.9
297.15073	2.0
300.02753	12.4
301.03351	2.9
313.18143	2.8
313.47095	0.8
315.16052	1.1
323.16547	5.7
331.19086	0.8
341.10468	2.4
341.17548	7.3
343.08337	2.5
358.06970	0.9
359.18640	1.1
368.90778	0.8
378.94620	0.8
389.12469	0.8
397.13736	1.5
415.14807	0.9
430.89404	0.8
441.07983	0.8
521.34167	1.1
551.15741	2.0
595.13403	3.2
618.38464	0.8
739.32538	1.7
757.33179	3.9
783.30908	2.8
793.74225	0.8
801.32074	5.9
802.32800	1.4
827.29742	8.2
828.30701	2.0
845.30890	49.3
846.31372	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	843.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.4
69.54713	5.5
71.01253	7.0
71.04858	1.0
73.02816	3.0
85.02856	4.2
87.00742	3.9
87.28635	0.9
88.55176	0.8
89.00197	3.0
89.02311	1.2
93.03308	1.2
95.01269	1.5
98.19897	1.9
99.00739	2.2
101.02319	4.0
106.00493	2.0
109.02831	7.1
110.22286	0.8
113.02309	2.8
119.04913	0.9
121.02850	14.8
123.00759	6.9
123.04389	1.4
124.01546	2.0
125.02364	5.0
130.99796	1.3
131.04903	4.1
134.03693	1.1
135.04405	1.8
137.01407	1.0
137.02353	11.5
138.03140	10.5
139.03900	2.3
143.04901	2.4
145.02835	1.8
145.06488	2.9
146.03618	3.7
147.04431	11.9
149.02315	2.2
149.05914	1.0
150.03123	2.0
151.03905	2.0
152.04642	2.6
153.01794	1.7
153.05473	5.2
155.01419	0.8
158.03711	0.9
159.04427	100.0
160.05226	20.0
161.02327	3.9
161.04567	1.4
161.05980	27.1
162.06299	1.4
163.03958	4.3
164.04671	1.3
165.05449	0.9
171.04434	1.9
172.05194	3.6
173.02393	6.8
173.06000	38.9
174.03120	1.8
174.06380	2.2
175.04005	4.6
177.01952	0.9
179.07025	1.1
184.03696	1.0
185.02446	1.0
187.03966	7.7
190.02603	1.3
191.03369	2.2
193.04892	1.7
196.05403	0.9
199.03940	3.4
200.04617	1.2
203.03419	8.3
204.04013	1.4
205.04988	2.5
209.05933	1.1
211.07555	1.3
211.87003	0.9
213.09193	2.5
217.01353	5.0
217.04974	1.4
219.02910	1.5
221.06108	1.1
223.07686	4.1
225.05582	1.5
225.09131	2.1
227.03490	1.4
228.04166	2.7
229.01314	2.9
233.06004	1.6
234.05203	2.1
236.04564	1.1
237.05568	1.3
238.06273	1.0
239.03532	1.0
239.07082	2.9
240.04315	1.1
241.08624	1.8
249.05502	6.4
249.07750	1.7
250.06149	2.6
251.07127	26.7
252.07565	2.7
253.04973	2.9
253.08781	1.7
254.05806	2.2
256.03659	3.5
257.08105	1.0
261.05667	1.4
262.06293	1.5
263.06995	0.9
264.04163	1.9
265.05035	2.4
266.05713	1.6
267.02975	1.0
267.06488	4.6
268.07364	1.6
269.04605	2.5
269.08142	8.7
270.08444	1.0
271.06155	7.1
272.06534	1.4
277.05057	24.1
278.05679	5.8
279.03702	0.8
279.06595	20.6
280.07263	2.9
281.04507	4.6
281.07516	1.3
282.05301	7.6
282.08514	1.6
283.05978	3.0
284.06409	1.2
286.08371	3.0
287.09372	1.1
293.04749	6.3
293.07687	1.5
294.05307	5.1
294.08643	1.0
295.06137	14.1
295.09259	1.2
296.06726	6.5
296.10159	1.6
297.07663	54.8
298.08008	3.7
299.09302	4.8
303.03021	1.3
305.04584	10.7
306.04959	2.9
307.06128	2.7
308.06778	2.0
309.07608	2.6
310.08359	4.7
311.09161	7.3
312.06918	1.4
312.10028	38.3
313.03503	4.0
313.10272	4.3
319.06000	1.5
320.06665	1.6
321.04193	4.4
321.07318	1.5
322.04727	9.0
322.08365	1.7
323.02628	1.1
323.05600	27.0
323.09262	2.3
324.05939	3.5
325.07028	2.3
325.10754	9.7
326.11356	1.4
327.12366	58.8
328.05902	2.7
328.12665	6.4
336.06302	2.9
337.07178	16.5
338.07956	27.9
339.08377	3.4
341.10355	1.4
343.08224	13.9
344.08447	1.4
351.08395	12.0
352.08966	1.5
353.10324	66.6
354.10617	5.1
355.15524	1.0
358.29901	0.9
364.05786	1.5
369.09906	1.4
370.72406	0.9
371.11340	32.8
372.11633	3.1
379.08347	4.3
397.09265	37.4
398.09500	3.4
401.14365	1.8
415.10422	7.4
423.07217	21.4
423.15244	1.2
424.07559	1.9
441.08173	2.6
491.11874	1.7
531.09113	2.0
727.22540	3.2
728.21765	1.1
755.25330	7.9
756.25629	1.7
781.23096	1.8
799.24524	17.0
800.24518	4.5
825.22638	32.3
826.23004	7.6
843.23486	59.5
844.23962	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	843.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.3
69.64635	1.3
71.01237	4.2
83.01253	1.5
85.02824	2.4
87.00755	10.8
87.31535	1.3
87.54794	1.3
93.03329	1.6
99.00763	1.5
99.92457	10.3
101.02342	3.0
113.02281	1.9
116.92748	100.0
117.92760	8.0
119.04884	2.3
121.02843	2.7
123.00807	3.0
125.02324	2.3
137.02327	4.8
138.03090	4.5
145.02853	2.3
146.03683	1.9
147.04417	5.9
149.06038	1.8
159.04399	18.3
160.05185	5.4
161.02368	8.2
161.04543	2.8
161.05969	7.4
162.03139	4.3
163.03862	6.7
164.04601	1.6
173.06029	6.3
174.03224	1.5
175.03920	6.8
182.54425	1.3
187.03975	1.5
189.05515	1.9
191.05284	1.8
193.04916	1.5
197.06075	2.2
225.05585	12.0
228.04208	1.4
241.04950	2.2
243.06516	3.3
251.03508	1.6
251.07115	3.1
253.05022	11.3
254.05626	2.3
255.02979	2.5
256.03488	1.5
269.04553	6.0
269.08264	1.7
270.05237	1.8
271.06165	17.1
272.06400	2.2
277.05048	1.9
279.02954	1.9
279.06592	2.0
281.04642	7.8
284.03079	2.2
284.06882	3.1
285.07620	2.4
286.08466	18.3
287.08804	1.9
295.06201	2.9
296.06879	2.7
297.04047	6.2
297.07620	7.8
299.09189	4.4
301.10754	16.5
311.05588	2.6
311.09073	2.0
312.06329	7.0
312.10086	5.4
313.07117	2.8
314.08002	1.7
323.05542	2.7
325.07236	9.2
326.07953	5.6
327.08691	23.1
327.12430	10.0
328.09314	3.2
329.10376	4.4
338.07935	3.1
343.08157	4.9
343.11981	4.2
353.10449	6.4
355.08224	3.3
369.09875	2.0
371.11273	6.4
397.09344	8.3
399.07095	2.1
415.03995	1.7
415.10001	2.4
423.07425	1.5
441.08142	1.9
459.09387	9.0
505.11673	2.3
725.19281	2.0
783.23126	3.3
784.24164	1.5
807.23523	3.9
825.62439	2.0
843.25714	75.4
844.26086	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	2.0
63.02342	0.6
65.00274	1.3
68.99749	0.7
69.25613	4.4
71.01341	1.8
72.99265	0.6
79.05510	0.7
83.01327	0.9
85.02903	0.7
87.00825	1.2
89.02412	0.9
91.05510	1.8
93.03411	1.2
93.54553	0.5
95.05013	1.5
99.00862	0.5
101.02443	0.8
103.05475	1.0
105.03346	2.4
107.01267	2.8
108.02070	2.5
109.02910	1.1
113.02431	1.0
119.04925	2.5
121.02851	4.6
122.03716	0.6
122.58245	0.5
125.02409	0.8
128.44316	0.5
129.03462	0.7
133.02922	0.6
134.03702	1.1
135.00848	0.9
137.02333	3.9
139.04039	1.4
145.02946	2.0
146.03699	0.8
147.04419	14.2
148.01686	1.6
148.05231	2.9
149.06110	1.3
150.03191	0.6
151.00281	8.1
152.01126	0.7
153.01898	0.7
160.01714	0.5
163.00391	1.0
163.03996	0.6
164.04781	0.6
175.03972	0.9
178.99788	4.7
179.03452	0.6
183.04549	0.6
191.03558	1.4
192.00708	0.7
192.04187	3.1
193.05040	1.3
199.04062	1.1
207.06743	0.7
211.04118	0.8
211.13318	3.2
215.03474	1.0
216.04088	0.8
217.01457	1.5
218.02104	3.0
226.02721	2.0
227.03481	3.6
229.01480	0.7
229.05092	0.5
236.03282	1.0
237.03993	0.6
243.02983	12.2
243.05388	0.9
244.03606	1.2
254.02191	3.3
255.02966	30.6
256.03387	2.1
270.01669	0.7
271.02472	60.9
272.02911	6.7
273.03857	1.0
283.02359	1.1
284.03232	0.8
285.04092	2.0
299.01965	4.0
300.02740	100.0
301.03345	15.9
302.03848	0.7
313.03558	7.3
314.03909	3.8
315.04037	1.3
327.05103	0.7
328.05698	3.7
329.06107	1.3
331.06488	1.0
343.04236	1.1
343.08209	16.5
343.12341	0.9
344.08603	8.3
345.08902	3.0
397.13419	0.9
609.14600	0.6
723.17847	11.3
724.17096	1.5
732.72925	0.5
801.31476	0.8
845.20044	30.6
846.20752	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	843.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	22.0
61.55870	2.5
61.98710	3.6
66.15197	2.4
66.27074	2.5
67.55437	2.9
68.12529	2.8
69.86745	5.5
69.87137	6.7
71.01248	7.7
72.68240	2.9
78.34981	2.4
85.02818	5.4
87.00748	16.1
93.03315	3.3
98.20456	4.7
103.05422	13.2
105.03336	4.1
108.02047	4.4
109.02846	7.2
113.02357	3.7
116.92773	4.0
117.03307	5.0
119.04912	14.1
120.18555	2.6
121.02860	15.2
122.03613	6.5
123.04375	3.8
129.03331	5.3
130.04173	3.7
131.04924	20.4
132.02095	2.6
133.02824	5.2
133.06482	13.9
134.03609	8.4
135.04391	5.0
136.01547	12.1
137.02324	8.4
145.02872	27.7
146.03632	22.5
147.04424	94.8
148.05235	25.7
149.02376	5.9
149.06003	56.8
150.03119	5.4
152.01082	3.2
153.01799	3.7
159.04408	8.0
160.01654	4.2
161.05948	3.4
163.03896	15.1
164.04637	7.6
165.05350	3.3
173.02354	9.3
174.03117	12.1
174.06453	2.4
175.02515	4.9
175.03935	78.9
176.04315	4.2
177.05424	7.2
178.02730	2.6
179.03400	5.0
185.02380	3.7
187.03979	6.9
189.01888	7.8
189.05528	6.3
191.03403	11.6
191.05334	5.2
191.07016	3.1
193.04999	16.3
194.05563	3.3
201.01781	3.1
203.03400	8.0
205.01614	2.3
205.05031	9.1
207.02962	3.7
213.01778	4.3
214.79509	2.3
218.02150	11.5
219.02890	29.9
220.03581	3.0
221.04482	6.9
231.02792	5.2
232.03835	2.9
233.04553	5.3
234.01595	7.7
237.03978	25.4
245.00873	10.9
246.01613	4.6
247.02464	10.6
249.03999	6.5
261.04010	3.7
263.01984	100.0
264.02292	5.6
273.00418	11.8
275.01923	18.8
276.02722	10.0
277.03540	6.3
281.03024	2.9
289.03571	3.2
291.01321	4.2
302.00638	10.2
303.01376	7.4
313.03494	7.3
343.08176	10.4
357.03387	2.6
359.06107	4.0
375.05444	3.0
386.04333	4.4
402.03528	3.0
403.03763	3.2
417.06073	6.4
429.06287	4.5
445.05484	5.9
449.08673	14.6
459.06577	3.2
473.04422	5.3
475.10126	5.2
477.07599	4.1
479.13428	11.7
487.06586	17.9
488.07385	3.5
501.08060	3.6
503.09869	44.8
504.10056	7.5
505.11227	10.8
517.11237	11.7
523.12183	5.9
535.12366	17.1
608.74750	2.9
612.66449	2.9
617.12360	3.2
637.57715	3.0
655.18488	3.7
677.13251	3.4
679.13776	2.9
683.18530	3.5
705.12292	7.2
709.14740	3.9
711.16382	4.3
725.15216	10.8
727.16748	5.4
731.10895	6.3
735.13379	5.1
737.14911	9.0
744.82739	3.3
749.11084	4.7
753.14838	43.4
754.15033	11.4
763.12366	8.3
781.14154	32.3
782.14276	9.8
799.15839	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	843.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.8
66.90057	0.9
69.24982	2.0
69.25395	5.5
71.01260	5.9
71.01593	1.3
73.02811	3.6
73.08397	0.9
83.01224	1.2
85.02827	4.8
87.00726	5.2
88.83449	0.9
89.00220	2.3
89.02327	2.0
91.80580	0.9
93.03333	1.5
95.01266	1.9
96.95895	0.9
97.86996	0.8
99.00739	2.6
101.02329	5.9
106.00449	0.9
108.02045	1.4
109.02835	6.2
113.02308	2.8
115.05457	1.0
116.58114	0.9
119.04876	1.9
121.02860	13.2
123.00769	7.5
123.04375	2.9
124.01533	3.3
125.02327	4.8
130.04176	1.0
130.99744	1.2
131.04883	3.5
134.03600	2.1
135.04379	2.5
137.01384	1.4
137.02351	15.0
138.03139	11.9
139.03918	2.5
143.04875	3.2
145.02876	1.7
145.06493	1.8
146.03642	5.2
147.04434	13.3
148.05063	0.9
149.02335	2.6
150.03070	1.3
151.03833	2.7
152.04681	3.1
153.01813	1.7
153.05473	4.7
158.03654	1.4
159.04427	100.0
160.01524	1.9
160.05219	18.2
161.02353	5.2
161.04805	1.2
161.05997	27.3
162.06393	0.9
163.03891	3.4
165.05396	1.9
172.05147	2.7
173.02386	7.3
173.05997	42.0
174.03075	1.6
174.06232	1.6
175.00334	1.0
175.03909	8.2
177.01863	1.9
177.05293	0.9
178.02409	1.0
184.03560	1.0
187.03918	7.7
188.04550	1.5
189.01794	1.5
190.02565	1.6
191.03413	2.5
191.05334	1.4
193.04980	1.7
199.03854	3.6
199.07652	1.2
200.04527	1.1
203.03413	7.9
204.04015	1.4
207.08084	1.5
211.04051	1.6
211.07544	1.4
213.09154	2.5
217.01389	4.2
217.04985	1.2
219.02850	2.2
221.06041	1.6
222.06812	1.3
223.05731	1.4
223.07570	3.8
225.09178	2.1
227.03580	1.4
228.04234	3.0
229.01350	3.4
233.05865	1.3
234.05246	2.4
235.07671	1.5
236.04669	1.8
237.05513	1.3
239.03407	1.7
239.06995	4.5
241.04871	1.1
241.08601	3.6
243.02814	1.3
243.06581	1.0
248.04802	1.5
249.05502	8.6
249.07652	1.4
250.06139	1.8
251.07109	25.7
251.25471	0.9
252.07477	2.6
253.04982	2.8
253.08632	2.3
254.05757	2.0
255.02934	1.0
256.03748	3.7
258.56781	0.9
261.05551	1.8
262.06311	1.4
263.03546	1.0
264.04211	2.2
265.04971	3.4
266.05722	3.3
267.06641	5.8
268.07318	1.7
269.04764	1.8
269.08105	8.7
271.06116	7.5
277.05054	24.2
278.05667	5.4
279.03656	1.4
279.06604	18.7
280.07077	3.0
281.04471	3.9
281.07764	1.5
282.05261	9.0
282.08627	1.3
283.05884	1.4
284.06662	2.1
286.08408	3.2
291.06442	1.2
293.04697	5.0
294.05292	7.3
294.08340	1.3
295.06110	13.7
295.09439	1.3
296.06760	6.1
296.10165	2.0
297.07684	54.2
297.11002	2.6
298.07996	5.9
299.09085	3.2
300.02618	1.3
305.04572	13.0
306.05084	3.3
307.06015	4.7
308.06686	2.0
309.07666	1.9
310.08472	5.6
311.09128	5.8
312.06610	2.0
312.09995	37.7
313.03528	1.5
313.10367	3.7
320.06912	1.7
321.03958	3.8
321.07422	2.0
322.04724	8.3
322.08426	2.9
323.05573	27.5
323.08972	2.2
324.05850	2.5
325.07169	1.6
325.10675	9.5
326.11169	1.4
327.12366	60.9
328.12637	5.6
336.06317	4.1
337.07135	16.3
338.07944	27.5
339.08170	2.8
343.08203	4.8
349.03702	1.3
351.08398	10.6
352.09204	1.4
353.10303	52.4
354.10715	4.2
364.05743	1.2
369.09598	1.5
371.11340	31.1
372.11557	2.9
379.08255	4.2
382.07056	1.6
397.09286	28.8
398.09573	2.9
401.14520	1.4
408.05026	1.0
415.10297	8.3
423.07220	18.8
424.07309	1.2
441.08237	2.4
459.09009	1.2
531.08936	2.8
575.08441	1.3
665.70685	1.1
727.21796	2.7
755.25964	8.3
756.26855	0.9
781.23975	1.6
799.24506	15.5
800.24597	3.1
825.07178	1.6
825.22467	25.6
826.22528	6.6
843.23529	52.5
844.23865	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	841.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.2
71.01263	4.9
71.03272	2.0
72.99178	0.9
73.02794	2.0
82.63929	0.8
85.02827	2.0
87.00740	2.1
89.02339	1.3
92.83208	0.8
93.03373	1.4
96.95862	1.3
99.00768	2.7
101.02341	2.5
108.02063	1.6
113.02310	3.3
119.04926	1.1
121.02872	2.1
123.04407	1.6
132.06094	0.9
134.03619	2.4
137.02348	1.3
145.02850	2.9
146.03642	1.1
147.04434	4.1
148.05179	2.9
149.02454	0.9
149.05952	1.0
155.54323	0.8
159.04424	1.2
160.01543	1.0
161.02345	1.0
161.06099	1.0
161.09642	1.3
173.02422	1.1
174.03159	4.1
175.03874	1.6
177.01826	1.0
179.03404	0.8
188.04710	1.1
191.03452	2.2
191.07065	3.8
192.04137	1.4
193.04985	2.2
202.02658	1.3
206.02165	0.8
207.08224	1.2
208.08740	0.9
215.03476	1.0
219.08211	0.9
221.06009	1.6
223.07648	2.8
223.13432	1.4
225.14063	0.9
231.46828	1.1
233.06067	1.1
234.06854	1.3
235.07831	1.6
236.08336	0.9
237.05637	1.7
239.07166	3.2
249.05618	2.6
249.11401	1.3
250.06229	2.1
250.11557	1.4
251.07103	8.1
252.07692	1.4
262.06345	2.2
263.07242	3.8
263.09720	0.8
264.07855	2.8
265.05063	1.7
265.08661	2.7
266.05753	1.7
267.06613	17.6
267.12671	1.0
268.06946	0.9
269.10315	1.0
277.05066	1.2
277.08560	1.3
278.05881	1.1
279.06641	12.9
279.10202	3.4
282.08972	8.5
286.93469	0.9
293.08035	1.2
294.05362	3.2
294.08963	6.5
295.06165	4.2
295.09119	1.2
296.06744	1.2
297.11374	2.7
305.04102	0.9
307.06116	2.6
308.06824	3.2
309.07608	5.5
310.08380	1.6
313.03384	1.8
321.07382	1.9
322.08441	6.9
323.05594	11.6
323.09232	4.5
326.07834	2.7
337.07184	0.9
338.07944	13.8
341.10315	20.7
342.10593	2.3
343.08142	4.4
353.10281	100.0
354.10764	8.8
371.11462	5.8
418.77972	0.9
678.63403	0.9
767.25610	8.5
768.24591	1.2
779.25623	8.9
780.25720	1.3
796.38684	3.3
797.25952	4.3
797.38977	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	841.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.8
61.98691	1.8
69.03323	3.7
71.01242	6.4
71.54771	1.6
73.02820	5.2
74.89877	1.1
78.95754	1.5
83.01270	1.6
85.02822	2.2
87.00748	10.8
87.25947	1.1
88.98694	1.3
89.02328	2.5
93.03357	2.1
96.95889	5.7
97.06475	2.1
99.00742	3.4
101.02325	11.0
111.00788	1.7
113.02320	5.4
119.04927	1.9
121.02870	1.5
124.32755	1.1
134.03624	4.0
135.04457	2.5
137.02330	2.4
143.04895	1.2
145.02849	3.2
146.03642	2.9
147.04443	6.3
149.02411	1.2
149.05980	3.0
151.00269	1.5
152.01105	1.2
156.05768	1.6
159.04428	7.8
161.02359	1.6
161.05902	1.3
163.03938	1.8
171.04404	4.1
171.08075	3.3
172.05220	16.8
173.02444	1.9
173.04524	2.4
173.05981	7.0
174.03099	2.5
174.06801	2.1
175.03877	2.9
175.07596	3.0
180.71825	1.1
185.06013	8.1
186.06834	8.0
187.03940	2.7
187.07594	13.8
187.11220	1.6
189.05458	1.6
190.02663	1.3
191.03438	4.7
192.04108	1.4
193.04956	5.9
196.05127	5.2
197.05971	5.2
198.06836	1.1
199.04002	2.3
199.07579	12.3
200.04701	4.6
200.08353	6.7
201.02023	1.4
201.05447	3.0
201.09157	37.3
202.06317	8.7
202.09479	2.2
203.03664	1.6
203.07033	4.9
209.11736	1.5
210.06714	1.9
211.07602	3.9
211.13319	1.7
213.05519	3.7
214.06293	10.1
215.07103	16.9
215.10635	9.3
216.07602	1.6
216.11412	2.3
223.07658	2.6
223.13423	1.9
224.08473	1.5
225.09135	14.3
226.09900	6.4
227.03421	3.4
227.10678	2.1
228.07843	4.1
229.08670	16.4
230.09067	1.7
231.06581	4.4
243.02982	6.1
243.06474	2.1
243.10245	44.1
244.07420	1.3
244.10934	11.1
245.08148	21.2
246.08600	1.4
252.04344	1.9
267.06500	4.0
271.02505	10.0
272.03006	1.4
287.09259	4.1
288.09998	5.3
289.10666	1.5
299.02026	21.9
313.03519	4.1
314.04340	31.2
315.04739	3.1
323.16531	3.5
343.08173	5.2
385.16547	9.5
429.15540	100.0
430.15686	12.3
581.96906	1.5
661.39154	2.5
781.47491	1.3
797.39886	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	839.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85451	0.6
59.01250	100.0
60.01585	1.4
61.98676	0.9
64.43454	0.6
67.01733	0.7
69.03335	2.8
71.01254	44.2
71.40365	0.6
72.01591	0.9
72.99174	3.2
73.02819	12.0
74.50832	0.6
81.03339	1.2
81.77708	0.6
83.01259	10.3
84.02060	0.8
85.02820	19.1
85.99975	0.6
87.00752	8.1
88.98655	1.0
89.02319	14.3
89.02833	1.0
93.03368	0.9
93.06979	1.7
95.01265	5.9
95.37605	0.6
96.95889	1.3
97.02834	5.7
99.00770	6.7
99.04436	1.2
101.02323	26.0
102.02676	1.0
107.04909	1.0
108.02073	0.8
109.02871	0.6
111.00783	3.4
111.04435	0.7
111.08070	0.9
112.01584	2.2
113.02334	25.9
114.02633	0.7
115.03929	0.7
119.03400	5.5
119.04936	1.4
121.02879	1.4
124.01565	2.7
125.02343	10.2
129.01860	1.2
131.03452	1.5
134.03645	1.8
135.08093	1.4
137.02359	0.8
139.03900	1.1
143.03438	5.4
147.04463	0.7
148.49869	0.6
149.04465	1.4
149.06160	0.6
159.02951	0.8
161.04465	5.2
161.13239	0.6
179.05595	1.4
187.11362	1.0
189.09245	0.9
191.05621	0.7
193.05040	1.9
200.79222	0.6
211.17073	0.8
213.18549	4.3
214.18797	0.9
223.13499	2.4
229.67970	0.8
249.11343	0.8
267.12518	1.0
275.57639	0.6
343.08374	1.2
343.28540	1.9
357.22867	1.8
375.24042	2.0
469.31781	1.2
487.32825	8.6
488.33243	1.8
505.33926	5.4
506.34451	0.8
511.32840	1.0
515.25476	0.7
529.33392	0.8
583.35516	1.0
595.35022	1.4
601.36145	1.3
613.35889	1.4
631.36963	36.7
632.37280	8.7
649.38031	70.4
650.38342	14.6
667.39081	21.3
668.39490	3.3
691.39124	19.2
692.39282	3.8
709.40063	31.3
710.40619	7.6
751.41284	4.4
752.42065	1.3
795.38208	5.9
796.37836	1.2
839.35345	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	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.2
61.98680	0.4
69.03308	1.2
70.14291	0.9
70.14705	0.6
70.41765	0.3
71.01253	6.5
72.48013	0.3
72.99190	0.3
73.02814	1.4
75.16383	0.3
80.21616	0.3
83.01233	0.9
83.04884	0.5
85.02354	0.5
85.02824	5.9
87.00716	0.9
89.02322	4.8
91.03840	0.3
93.70505	0.3
95.01238	0.6
95.04890	0.8
95.18089	0.3
97.02843	0.8
97.06479	2.7
99.00752	0.4
101.02323	5.8
111.08006	0.6
113.02335	3.6
113.09561	0.4
119.03357	0.9
119.04865	0.5
123.08015	0.3
125.09603	1.4
127.11131	0.9
137.09598	1.3
143.03404	0.7
145.04961	0.4
155.10626	1.2
155.14287	0.5
161.04500	2.6
163.11215	0.5
165.12772	0.9
167.10646	0.6
167.14281	0.5
171.10190	15.7
177.12737	1.1
179.05447	0.8
179.10677	0.3
179.14305	0.7
181.12216	0.5
183.13852	2.7
185.11719	1.3
193.12247	1.0
195.13853	8.4
196.14420	0.8
197.11691	0.5
201.11363	0.7
205.12248	0.7
205.15947	0.5
209.11748	1.5
211.13341	16.6
212.13646	1.0
221.11781	3.2
222.12038	0.3
223.13365	5.7
224.13731	0.4
227.12881	0.4
228.13637	0.8
229.14401	11.4
230.14676	0.5
231.21100	0.6
235.08202	6.1
239.12845	1.9
247.20654	0.5
253.09270	34.2
254.09596	1.1
256.13162	0.8
273.18430	0.5
275.20169	5.4
276.20541	0.5
291.19666	5.0
292.19989	0.6
293.21222	100.0
294.21548	9.3
309.20691	6.9
310.21042	1.0
327.21759	79.4
328.22098	7.0
492.21844	0.6
529.30145	1.5
545.29700	1.6
563.30652	5.9
563.38928	0.5
564.31152	1.0
603.42712	4.6
604.43378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	4.6
63.39562	2.1
70.79694	2.1
71.01246	8.1
85.02792	5.1
87.00753	3.6
88.54695	2.1
89.02319	3.2
93.03364	2.8
98.20678	4.8
99.00777	3.5
99.93178	2.1
101.02312	2.9
109.02803	3.9
113.02312	5.8
121.02863	11.6
123.00778	6.7
125.02304	5.1
134.03651	2.8
137.02367	10.3
138.03107	9.8
145.02837	2.8
145.06487	3.0
146.03624	4.2
147.04407	9.0
151.03812	2.4
153.05478	4.2
159.04430	89.2
160.05185	17.1
161.02322	3.9
161.04694	3.5
161.05975	23.4
163.03949	4.4
173.02322	4.1
173.04465	8.8
173.05951	39.4
175.03938	3.8
177.05424	2.5
187.03889	6.9
189.01846	2.8
191.03589	2.3
191.05502	6.0
199.03992	3.0
203.03398	6.3
217.01237	3.6
219.02927	2.5
229.01324	3.4
230.01741	2.7
239.07240	2.2
249.05524	6.0
251.07066	20.4
252.07358	2.5
253.04852	3.0
261.05493	2.8
265.04861	2.8
267.06723	6.4
269.08173	5.4
271.06128	5.7
277.05096	18.1
278.05612	6.8
279.06735	17.0
280.07181	3.5
282.05252	8.9
284.07062	2.5
286.08554	3.6
293.04407	4.5
294.05380	7.4
295.06085	10.3
296.06769	5.3
297.07693	47.0
298.08035	5.5
299.09158	2.8
305.04587	8.4
306.05200	3.7
309.07538	3.0
310.08453	4.2
311.09323	5.4
312.10022	39.7
313.10464	3.5
321.03876	4.6
321.07489	2.8
322.04587	6.0
322.08328	3.0
323.05737	19.8
323.09210	4.0
324.06018	3.1
325.10876	8.3
327.12372	54.1
328.12775	9.0
336.06546	3.0
337.07144	11.1
338.07968	24.9
339.08362	4.2
343.08450	3.5
351.08609	11.6
353.10309	48.5
354.10776	4.2
364.05939	3.2
367.10413	3.0
371.11273	22.9
379.08176	6.9
384.77783	2.2
397.09232	31.8
415.10449	7.0
423.07169	28.7
424.07581	3.1
441.08615	3.6
443.12021	3.2
725.22797	2.7
753.26154	13.5
797.24860	21.2
798.25720	3.4
823.23132	48.9
824.23126	11.7
838.19458	2.7
841.24060	100.0
842.24280	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	839.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	92.0
61.98699	4.4
63.74801	1.0
63.79544	1.1
71.01257	19.5
71.02789	2.8
73.02821	12.8
83.01273	1.7
83.04877	2.3
85.02820	5.1
87.00745	14.6
88.29917	1.2
89.02321	14.1
95.04930	1.2
96.95900	3.1
97.06467	3.1
99.00753	35.1
101.02348	7.9
107.04911	4.3
107.11322	1.2
109.02891	1.4
113.02336	8.4
117.37016	1.4
119.03403	1.7
119.79895	1.1
120.05727	2.2
121.02824	2.0
123.04465	2.2
125.02332	2.3
130.99828	1.3
131.03403	2.3
134.03630	4.4
135.04434	2.5
135.22961	1.2
137.02324	2.8
147.04420	4.0
149.02451	1.6
149.04446	10.7
149.05911	2.3
152.04665	2.0
161.02379	1.2
161.04478	3.8
161.05933	1.6
161.09628	13.1
161.13257	7.5
163.03896	1.3
163.11168	6.8
171.10138	1.4
175.03938	3.1
177.01874	1.6
179.10718	1.7
187.07559	1.8
187.11230	16.7
188.11563	1.4
189.09123	4.2
191.03839	1.7
191.05481	8.9
192.04189	1.7
193.04950	4.4
203.05411	2.5
203.10631	1.6
205.12271	11.1
207.10185	10.3
209.37727	1.3
223.13351	31.1
224.13614	2.6
233.06631	2.5
249.11279	18.4
267.12363	14.9
272.13864	1.2
343.07898	1.4
503.25168	2.6
530.45386	1.3
545.26068	18.8
546.26288	2.5
688.63647	1.3
717.82605	1.4
753.37024	2.2
759.23694	1.3
795.38116	100.0
796.38428	23.6
839.37268	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	839.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63586	0.9
59.01251	100.0
60.01600	1.0
69.03344	2.1
71.01255	38.9
72.99184	2.6
73.02812	12.2
75.00743	1.7
81.03342	2.8
83.01256	9.9
83.04934	1.3
85.02828	20.6
85.31843	1.2
87.00759	7.7
89.02323	14.3
93.06973	1.9
95.01276	4.4
96.77386	1.2
97.02847	4.1
99.00761	4.1
101.02321	25.7
111.00763	2.4
112.01524	2.4
113.02334	24.7
113.03067	1.1
115.03947	1.3
119.03369	3.8
124.01566	1.3
125.02325	12.3
134.03638	1.3
135.08066	1.5
143.03421	4.1
147.04424	1.6
158.05843	1.1
159.02933	1.1
161.04448	3.9
179.05536	2.7
191.05379	1.2
211.17108	1.8
213.18582	4.5
223.13333	1.3
243.63472	1.2
342.03531	1.3
343.28455	1.7
357.22815	1.8
372.51135	1.2
375.23788	2.1
469.31360	2.2
487.32693	10.0
505.34009	5.7
583.35284	1.6
595.34747	1.5
631.36938	37.0
632.37531	4.9
649.38007	59.1
650.38397	10.8
667.39056	16.7
668.40344	2.5
691.39020	17.4
692.39435	2.4
709.40125	30.7
710.40552	7.4
751.41327	4.3
795.38202	2.8
796.39264	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	837.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.7
69.03316	0.8
71.01254	5.1
73.02805	1.5
84.02033	1.8
85.02827	1.9
87.00748	1.1
89.02326	3.3
97.02851	0.9
97.06470	5.1
101.02335	3.9
103.66158	0.6
113.02335	2.3
119.03390	1.2
125.09631	1.0
132.02058	0.7
133.04930	0.7
134.03638	5.9
143.03395	0.7
145.05028	0.8
154.97633	0.5
155.92096	0.6
160.01563	1.2
161.04471	1.8
171.10176	8.8
172.10472	0.7
175.03955	1.6
179.05527	0.9
183.13893	0.7
183.74524	0.5
185.11691	0.7
193.04987	6.0
193.12274	7.7
211.13310	3.2
221.11742	0.8
225.14919	10.7
226.15312	0.6
235.08214	10.8
243.15961	6.0
253.09276	17.5
253.14638	1.0
254.09520	0.8
277.21719	100.0
278.22076	9.8
287.94400	0.6
291.19595	1.5
305.21429	0.6
323.22223	2.6
341.23312	79.9
342.23663	8.3
559.31946	0.7
577.32245	2.0
578.33545	0.7
601.45032	3.3
602.44873	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	839.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.4
61.98706	2.8
69.65985	7.8
71.01242	4.8
73.02823	2.6
83.01256	1.2
85.02810	2.8
87.00751	20.9
89.02292	4.1
91.01776	1.1
93.03328	1.4
95.01238	1.6
96.95868	1.4
99.00735	7.1
101.02306	2.4
102.05484	3.5
109.02836	3.4
113.02338	3.1
115.00251	1.4
119.04942	2.0
121.02818	6.3
123.00755	3.4
123.04391	2.0
124.01577	2.3
125.02331	2.7
128.03419	3.3
130.99785	1.3
133.02802	2.1
134.03633	2.9
135.04399	2.8
137.02315	4.6
138.03099	6.6
139.03862	2.3
145.02872	2.4
146.03491	1.4
146.04550	7.9
147.04437	13.4
149.05963	2.4
151.03902	2.2
153.01767	1.8
153.05470	3.3
159.04431	28.7
160.05254	5.8
161.02393	10.3
161.04645	1.5
161.05995	11.4
162.03107	4.5
163.03893	4.4
164.04613	1.7
165.05431	1.2
167.03317	1.2
173.02332	4.0
173.04561	1.7
173.05963	9.9
174.03064	2.3
174.35448	1.3
175.03934	12.8
177.01877	1.9
177.05505	1.7
187.03906	4.2
188.04677	1.3
189.01820	1.9
189.05460	2.6
191.03502	2.4
191.05482	4.3
193.04965	5.5
197.06068	2.2
199.07506	1.6
203.03429	2.8
205.04987	1.9
213.05472	1.9
215.07094	2.3
219.02899	1.7
225.05548	19.9
226.05998	1.3
227.07079	2.5
239.07074	1.7
241.04985	2.7
243.06561	2.6
249.05424	1.6
251.03561	3.3
251.07043	5.4
253.05066	19.4
254.05699	2.2
255.02829	1.4
256.03726	2.5
267.06650	2.3
269.04486	9.4
269.07889	1.6
270.05234	5.1
271.06128	30.1
272.06601	2.4
277.05042	3.3
279.02948	3.8
279.06500	3.4
280.03720	2.2
281.04556	12.8
282.05045	3.4
284.03796	1.5
284.06857	4.4
285.07620	3.1
286.08463	29.7
287.08997	2.8
294.05499	1.4
295.05997	4.8
296.03357	3.2
296.06833	3.9
297.04019	7.9
297.07645	9.4
299.05908	1.9
299.09250	7.6
301.10843	24.6
305.04532	2.2
311.05481	3.5
311.08997	2.2
312.06284	9.2
312.09979	9.7
313.07101	2.7
314.07837	2.7
322.04852	2.2
323.05524	3.2
325.03656	2.0
325.07092	11.2
325.10666	1.8
326.07788	6.3
327.08655	32.5
327.12390	16.5
328.09296	5.6
329.10321	9.5
337.07059	4.5
338.07928	4.2
343.07947	2.4
343.11771	7.6
353.10315	9.7
355.08209	6.4
369.09729	4.6
371.11398	12.7
383.15726	1.7
387.10632	1.5
397.09421	13.0
398.09549	1.5
399.07153	4.2
415.10214	3.6
423.07156	1.8
433.11487	1.2
441.08389	6.2
459.09290	11.9
685.23950	1.4
735.24615	1.9
758.60663	1.5
777.25751	1.8
779.24323	9.1
780.24731	2.6
803.23535	3.4
839.26086	100.0
840.26379	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	839.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	1.1
67.20484	0.8
67.49333	0.9
88.33385	1.0
89.03833	3.1
89.22240	0.8
96.95896	1.0
105.03329	3.8
116.92754	2.3
133.02879	6.5
137.02362	10.4
161.02295	5.7
162.03142	3.4
177.01857	40.1
178.02200	1.7
189.01872	8.6
190.02698	4.7
190.81445	0.9
222.01627	1.3
229.25064	1.0
239.76520	1.1
277.21716	2.3
278.22086	1.0
429.17474	1.1
430.17975	1.4
443.18304	1.1
444.19382	2.3
445.20245	8.5
459.21744	4.6
460.22345	1.5
484.35669	1.2
503.20889	1.3
518.23108	1.2
605.27881	6.8
606.27667	1.5
610.41821	1.1
763.28558	1.4
764.27887	1.6
795.30353	100.0
796.30640	28.5
796.45270	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	839.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
61.48736	1.2
61.98706	3.6
71.01260	6.3
78.95815	2.2
82.24664	1.3
83.04904	2.0
87.00784	2.1
89.02336	4.0
89.03854	3.9
89.17934	1.5
95.04936	1.8
96.95892	9.1
101.02319	2.8
105.03350	2.6
108.02033	2.3
109.02794	2.0
113.02355	2.0
116.92680	1.5
133.02859	6.8
137.02335	9.5
143.73990	1.5
161.02318	6.5
161.04437	1.9
162.03059	4.0
171.10188	7.0
177.01843	39.8
186.40248	1.4
189.01851	9.6
190.02640	5.0
201.11244	9.3
202.11638	3.0
209.11798	2.4
211.13336	2.7
229.14307	3.4
235.08165	4.4
253.09213	11.0
277.21713	29.5
278.22015	3.3
293.21231	2.9
325.20309	3.7
327.21460	1.8
343.21280	30.4
400.13757	1.6
429.17227	1.6
430.17471	1.8
443.19232	1.8
444.19595	2.9
445.20309	7.9
459.21884	4.1
470.20639	1.6
519.23041	1.8
605.27649	5.9
629.57507	1.7
744.51050	1.6
763.28259	3.6
795.30298	100.0
796.30621	32.9
821.28198	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	839.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.7
61.98695	3.0
69.03334	1.8
71.01246	6.2
71.53255	1.2
73.02815	1.1
76.25784	0.7
78.95787	1.7
80.91555	1.1
82.95258	0.8
83.01281	2.0
83.04865	0.9
85.02824	1.9
87.00758	1.3
88.80653	0.7
88.98685	3.1
89.02307	4.4
93.03334	1.4
96.95886	11.0
97.94753	0.9
99.32165	0.7
101.02324	3.8
107.01278	2.4
109.06542	0.8
111.08038	13.3
112.08395	2.3
113.02323	2.9
116.92725	0.9
127.07587	1.0
132.02078	1.3
135.00706	1.2
136.42253	0.7
143.04962	0.9
151.00360	4.3
151.11215	0.9
153.12756	1.3
161.04434	2.3
163.00247	2.1
164.00974	0.8
169.01353	1.3
169.12289	6.2
170.12543	1.2
171.10152	1.2
178.99866	1.0
181.12273	1.4
182.12593	1.1
183.04431	1.2
185.02277	1.1
185.05997	1.3
187.03960	1.6
197.11765	52.8
198.12109	20.6
199.12070	1.0
199.13460	1.1
200.13651	1.1
211.03941	3.5
211.13329	8.5
212.13708	2.8
227.03445	40.6
227.12915	2.1
228.03862	3.0
229.04921	4.9
235.08244	2.7
239.03508	1.1
253.09261	18.8
254.09454	5.2
255.02966	75.6
256.03549	9.1
257.04565	4.1
263.20139	3.4
264.20511	1.3
265.18106	1.5
265.20740	1.2
273.18393	1.0
277.21701	5.2
283.02493	1.4
284.03253	100.0
285.03976	38.9
286.04330	1.9
291.19638	18.5
292.20035	12.4
293.20663	4.2
309.20712	55.5
310.21063	46.4
311.21320	11.0
327.21692	1.7
343.21234	1.5
404.05246	0.9
546.29236	0.8
561.12469	29.7
562.12921	5.1
579.13361	9.9
580.13342	1.1
603.41595	1.2
681.84827	0.9
839.34918	38.9
840.35406	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	837.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.6
61.98698	0.6
69.03336	0.8
71.01255	3.0
71.23543	0.4
71.23912	0.7
73.02827	1.1
76.35822	0.4
83.01240	0.6
84.02068	1.9
85.02828	1.5
87.00751	0.8
89.02322	1.5
89.03845	2.5
95.01281	0.7
97.02852	1.0
97.06452	2.8
99.04389	0.7
101.02332	2.4
101.99745	0.4
106.04128	0.6
113.02341	2.0
117.03356	6.2
119.03427	0.5
132.02069	3.5
134.03632	92.1
135.03957	3.1
137.02357	0.6
143.03256	0.5
149.05974	6.1
160.00247	0.5
160.01569	9.4
161.01964	0.7
161.04483	1.3
171.10175	6.6
175.03925	8.9
178.02626	1.7
183.13817	0.7
193.04991	100.0
193.12175	2.2
194.05341	4.4
211.13330	1.8
225.14914	3.2
235.08130	3.9
243.16022	1.9
253.09274	7.5
277.21719	42.0
278.22083	1.9
291.19638	0.5
323.22226	1.3
341.23303	34.4
342.23645	1.6
383.13300	1.6
512.67651	0.5
577.32068	0.5
601.44556	1.5
661.36005	0.8
721.27997	0.4
837.41504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.0
61.98697	3.9
69.03301	1.7
70.13828	4.5
71.01248	10.0
73.02817	3.2
78.95793	1.8
83.04894	1.6
85.02830	3.0
87.00750	2.4
87.04373	1.0
89.02329	6.9
95.04873	1.4
96.95891	3.4
97.02837	3.0
97.06470	1.2
98.20502	1.3
98.78172	1.2
101.02321	6.9
109.06483	2.0
111.08038	10.1
113.02315	4.0
115.46700	1.2
119.03395	2.1
121.10088	2.9
123.08186	1.6
125.09628	5.2
134.03600	1.1
137.09561	2.3
147.04445	2.0
151.11143	1.3
152.44791	1.1
153.09109	1.3
153.12752	2.0
161.04475	5.0
165.12814	1.7
167.87564	1.0
169.12227	4.7
171.10188	22.3
181.12247	3.1
183.13722	1.6
185.11732	4.3
193.12349	1.3
195.13844	2.5
197.11774	60.4
197.74663	1.1
198.12088	3.2
199.13286	4.5
201.11111	1.4
209.11719	3.8
210.62904	1.3
211.13339	76.0
212.13657	4.1
223.13313	2.9
227.12910	1.7
233.15581	1.2
235.08249	9.1
241.01047	1.3
250.20461	1.1
251.16512	2.6
253.06721	2.2
253.09267	36.3
254.09546	2.0
263.20105	3.8
265.14792	1.6
272.09644	1.1
273.18787	2.4
275.20221	2.4
277.21878	2.6
289.18036	2.1
291.19690	82.4
292.19971	8.5
293.21277	26.7
294.21625	2.2
307.19073	2.7
307.38513	1.2
309.20728	100.0
310.21002	12.0
323.22348	1.2
325.20206	14.8
327.22000	1.6
347.46848	1.1
351.18307	1.2
433.20490	1.4
447.22318	2.3
527.28784	8.1
528.29309	1.3
545.29645	4.7
601.41357	2.4
777.91040	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	837.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.8
61.98699	1.1
62.23339	0.3
69.03328	1.0
71.01255	5.0
72.99199	0.3
73.02789	0.8
78.95836	0.3
83.01276	0.6
83.04910	1.0
85.02831	1.5
87.00755	1.2
89.02309	4.5
93.06920	0.5
93.46712	0.3
93.89691	0.4
95.01289	0.4
96.95902	0.4
97.02837	1.0
97.42915	0.3
99.00818	0.6
101.02325	4.7
102.86834	0.3
109.06517	0.6
111.08044	12.2
112.08400	0.4
113.02348	2.6
114.71531	0.3
119.03407	1.3
122.47169	0.3
125.09613	0.3
127.07557	1.3
137.09622	0.6
137.31827	0.3
143.03377	1.0
145.05017	0.4
151.11194	1.1
153.09149	0.6
153.12740	1.7
161.04465	2.1
163.11182	0.4
165.12769	1.2
167.10674	0.6
169.12253	5.6
170.12584	0.4
171.10149	1.3
173.47343	0.3
179.05522	0.7
179.10719	0.9
181.12241	1.8
183.13791	1.0
193.12202	0.8
197.11772	65.0
198.12129	2.9
199.13303	4.1
209.11772	0.6
211.13345	10.4
212.13675	0.8
227.12814	2.0
229.19536	0.3
230.11526	0.4
235.08232	2.5
247.17029	0.3
247.20624	0.9
251.58051	0.3
253.09268	23.6
254.09592	1.2
263.20163	3.8
265.18079	1.9
273.18616	1.5
275.57559	0.4
277.21796	0.5
282.36844	0.4
291.19669	27.8
292.20096	1.9
309.20715	100.0
310.21066	9.6
414.35376	0.4
433.20651	0.8
527.28479	0.7
545.29907	2.7
546.29956	0.4
559.96588	0.4
601.40991	2.2
602.41132	0.4
608.37994	0.3
655.03955	0.3
699.28113	0.3
753.37762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.2
59.01255	16.2
61.98700	6.1
67.01767	1.2
69.03331	3.4
71.01254	13.4
71.04901	1.1
73.02805	2.4
75.00729	0.9
78.95776	2.4
81.03336	2.7
83.01265	2.2
83.04895	2.9
85.02827	5.4
87.00758	3.7
89.02315	7.5
95.01266	1.1
95.04873	2.0
96.95868	1.4
97.02810	4.9
97.06495	4.9
98.20592	2.0
99.00723	1.4
101.02326	10.7
106.04048	1.1
109.06477	3.3
111.00756	1.0
111.08043	17.5
113.02337	5.6
119.03412	1.2
119.32748	1.0
121.06448	2.1
123.04444	2.9
123.08033	3.0
125.02347	1.6
125.05978	1.3
125.09616	8.1
127.07586	1.1
135.08101	2.3
137.09625	4.3
137.47536	0.9
141.09143	0.9
141.12775	1.8
142.02667	1.1
143.03413	2.0
149.05972	1.6
151.11224	2.2
153.12714	1.6
161.04460	4.2
163.11250	6.9
165.12746	4.7
167.10667	1.2
169.12239	7.5
171.10207	3.7
179.05487	1.6
179.10721	1.6
181.12276	3.6
183.13873	1.5
185.11763	8.2
191.10669	1.7
191.14343	9.6
193.12378	1.2
197.11772	89.8
198.12108	4.1
199.09734	2.2
199.13330	3.5
207.10139	3.6
209.11781	26.5
210.12148	1.6
211.13332	17.7
217.15941	1.4
223.13414	1.1
225.11246	3.9
227.12851	4.9
235.08180	5.8
237.11284	7.6
245.19055	18.6
247.17088	1.0
247.20628	2.0
249.14902	1.3
253.09277	36.9
254.09546	1.9
255.23235	2.4
263.20166	10.8
265.14423	1.9
265.18097	2.2
271.17007	3.2
273.18616	2.2
281.21066	1.4
284.83044	0.9
289.18106	97.4
290.18402	10.3
291.19666	40.9
292.20050	3.0
293.21313	4.8
305.17484	1.4
307.19153	92.6
308.19427	8.5
309.20715	100.0
310.21060	9.2
397.08380	1.1
397.13284	1.7
525.27271	1.9
527.28455	1.6
543.28082	3.8
545.30188	1.5
599.39276	1.1
723.39313	1.2
835.47467	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	837.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	9.2
68.36385	2.8
71.01252	8.8
73.02828	3.1
85.02820	3.6
87.00741	11.7
89.02317	4.2
90.64642	2.8
96.95913	3.2
99.00742	10.7
101.02384	3.4
108.02058	16.2
109.02840	12.6
113.02305	3.5
121.02824	13.7
123.00756	7.7
124.01596	3.4
125.02288	5.8
131.04932	4.1
137.02330	14.0
138.03088	9.4
143.04875	3.0
146.03590	5.2
147.04405	12.1
150.03162	2.7
151.03787	3.9
152.01068	22.0
153.05498	4.3
159.04428	100.0
159.05754	5.5
160.05240	16.6
161.02245	5.2
161.06012	26.5
163.03905	4.6
172.05107	4.4
173.02316	6.6
173.05989	41.5
175.03906	5.6
187.03934	10.1
191.05527	7.7
199.03912	5.6
203.03471	4.5
223.07625	4.6
239.07043	4.1
241.08339	2.7
249.05455	9.6
250.06139	3.3
251.07076	24.4
252.07312	2.7
265.04977	3.5
267.06628	5.1
269.04376	3.2
269.08154	8.8
271.06067	6.9
277.05045	25.3
278.05856	6.3
279.06677	19.6
281.04456	6.4
282.05304	10.3
282.08649	2.9
283.06064	8.2
284.06754	3.5
286.08270	3.3
293.04541	3.0
294.05304	7.1
294.21161	3.0
295.06046	11.5
296.06827	4.1
297.07660	59.4
298.08032	4.2
299.09195	4.1
305.04492	13.1
306.05286	3.9
310.08423	4.4
311.09360	6.4
312.10031	39.0
313.10220	4.3
321.03976	6.3
322.04660	6.3
323.05624	26.9
323.09103	4.3
325.10651	6.1
327.12378	59.3
328.12607	3.5
337.07248	17.5
338.07901	25.7
339.08173	3.9
349.09122	5.8
351.08759	13.4
353.10291	49.9
354.10666	4.5
371.11392	33.2
372.11478	5.3
379.08154	3.6
397.09280	26.3
415.10312	7.6
423.07227	16.8
429.10587	5.1
441.08136	4.5
489.12399	5.7
725.49982	3.8
749.26917	13.7
793.25848	15.6
794.25592	6.0
819.23865	28.7
820.24243	8.8
822.06378	3.1
837.24585	85.5
838.24683	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	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.3
59.01255	5.6
60.06496	0.3
61.98702	4.1
66.61553	0.3
68.17271	0.2
69.03323	1.0
71.01254	5.2
71.04886	1.6
72.99187	0.5
73.02839	0.7
78.95780	0.3
80.02547	0.7
81.03346	1.0
82.95324	0.3
83.01267	0.7
83.04892	0.8
85.02828	1.5
87.00768	0.9
89.02314	3.6
93.03452	0.3
95.01295	0.4
95.04928	0.9
96.29224	0.2
96.95885	2.8
97.02824	2.3
97.06469	0.7
98.03642	0.5
101.02327	4.5
103.03889	0.3
106.04085	0.4
107.04897	0.5
109.05714	0.6
109.06474	8.2
111.00731	0.3
111.04418	2.5
111.08038	6.0
113.02333	2.1
119.03362	0.8
119.04877	0.3
120.05728	0.3
121.06496	0.5
123.04391	0.3
123.08049	1.7
125.09637	0.7
127.07534	1.5
133.04980	0.3
135.08080	0.5
135.11613	0.4
135.47888	0.3
137.09662	1.4
143.03429	0.4
143.10663	1.2
145.04974	0.3
145.06503	1.7
149.09619	1.2
151.11229	1.2
153.09096	0.3
153.12788	0.8
158.01680	0.3
159.08121	0.4
161.04475	2.1
161.09616	0.4
162.83746	0.3
163.11211	0.6
165.12772	0.9
167.10664	1.7
169.12238	2.6
171.10181	2.2
177.12833	0.6
179.05556	0.8
179.10727	1.0
181.12306	1.7
183.13791	0.6
184.25681	0.2
185.11697	0.3
189.12782	0.3
191.14374	0.6
193.12346	0.5
195.13829	2.7
197.11771	27.5
198.12201	1.4
199.13365	1.6
207.17389	0.3
209.11734	0.9
209.13530	0.3
209.15627	0.4
211.13356	4.3
223.13327	0.4
227.12759	1.5
229.73927	0.3
233.15559	0.4
235.08171	3.2
235.13373	0.7
236.08644	0.3
236.13501	0.3
243.17599	0.3
245.19095	3.8
246.19295	0.4
247.20737	1.0
249.15007	0.5
251.16504	1.2
253.09270	16.4
254.09633	0.8
263.13412	0.3
263.20193	1.2
265.18137	0.7
271.17020	1.1
273.14941	0.6
273.18634	0.5
287.16495	2.2
289.18100	100.0
290.18448	9.8
291.19666	18.0
292.19995	1.7
293.21188	1.0
307.19138	4.8
308.19662	0.4
309.20712	48.2
310.21036	4.5
324.34793	0.3
337.71823	0.3
392.58154	0.3
429.28387	0.3
433.20676	0.5
525.26917	2.9
527.29102	0.4
545.29303	0.6
581.37836	0.4
738.16364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.2
61.98705	23.0
65.03835	1.9
69.42170	1.0
71.01256	6.9
71.04906	1.9
71.52869	1.0
73.02797	1.2
81.03319	1.4
83.01218	1.2
83.04887	1.0
85.02831	1.5
87.00778	1.3
89.02319	3.6
93.03363	1.2
95.04874	1.1
96.95891	13.7
97.02822	2.0
97.06474	2.1
101.02307	5.5
109.06474	7.2
111.04398	1.3
111.08044	6.9
113.02336	3.9
117.06973	1.1
119.08552	2.3
121.06474	3.2
125.02345	1.3
125.09669	1.9
134.03595	1.4
135.08064	2.6
137.09668	1.8
145.02759	1.2
153.09079	1.0
161.04442	1.5
163.11163	1.5
165.12733	1.4
167.10800	1.3
169.12271	3.0
171.10190	10.2
177.12762	1.4
179.10628	1.7
180.68277	0.9
181.12297	1.4
185.11751	3.2
192.13278	1.0
193.04958	1.9
193.12248	1.3
195.13802	2.8
197.11760	27.2
198.12132	1.8
199.13284	1.3
205.76106	1.0
207.10312	1.0
209.11768	3.4
211.13284	7.0
227.12866	1.6
233.15466	1.2
235.08185	3.7
235.13303	2.3
245.19102	3.6
253.09227	18.5
254.09612	1.1
263.20288	1.2
265.18130	1.2
271.17108	1.7
273.15518	1.1
273.18579	2.0
287.16162	1.5
289.18091	100.0
290.18448	7.7
291.19647	20.1
292.20148	1.7
293.07449	1.0
293.21249	1.4
307.19131	14.2
309.20688	57.7
310.21167	5.5
313.22214	1.1
462.53818	1.2
489.41183	1.2
525.26953	4.0
734.18372	1.1
743.66650	1.1
817.47198	1.6
835.42383	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	1.1
59.01254	6.3
61.45480	0.4
61.98698	4.7
69.03327	0.9
70.82273	0.6
70.82616	0.8
71.01257	4.9
71.04890	2.3
73.02818	1.4
80.02530	0.6
81.03320	1.2
83.01257	0.6
83.04893	1.0
84.42132	0.3
85.02831	1.2
86.01321	0.3
87.00754	1.0
89.02319	3.1
95.01261	0.6
95.04912	1.9
97.06475	0.6
98.03622	0.4
101.02320	5.2
106.04109	0.5
109.06482	7.4
111.04424	2.2
111.08051	6.3
113.02336	2.1
119.03390	0.9
123.08023	1.5
125.09595	0.7
126.61502	0.3
127.07526	1.5
135.08089	0.6
137.05956	0.4
137.09587	0.7
141.09113	0.5
143.03336	0.6
143.10713	0.6
145.04929	0.9
145.06477	1.4
149.09590	1.0
151.11174	1.3
153.12778	0.9
161.04472	2.3
163.11151	1.1
167.10629	1.8
169.12253	2.9
171.10182	2.4
179.05505	1.1
179.10674	0.8
181.12270	1.6
183.13724	0.4
185.11757	0.5
188.13527	0.4
191.14346	0.5
193.12292	0.8
195.13867	2.9
197.11768	30.5
198.12080	1.5
199.13326	2.2
201.11194	0.7
207.10245	0.6
209.11766	1.2
211.13329	5.0
217.15982	0.4
223.13295	0.6
227.12827	0.5
233.15529	0.4
235.08165	4.4
235.13416	0.9
245.19101	4.3
247.17155	0.5
251.16499	0.9
253.09273	17.3
254.09564	0.7
263.20135	2.5
265.18030	0.8
271.17136	1.0
273.15170	0.6
273.18491	0.6
277.21713	0.6
280.54443	0.4
287.16577	2.0
289.18097	100.0
290.18430	8.9
291.19696	12.8
292.19910	0.8
293.21313	4.0
305.17593	1.1
307.19110	5.7
309.20709	50.0
310.21045	4.7
327.48505	0.4
465.18661	0.4
483.75681	0.4
525.27332	3.2
527.28589	0.5
545.29962	0.4
631.44629	0.4
817.48279	0.5
835.49475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.1
61.87090	0.1
61.98704	100.0
62.98399	0.1
65.39272	0.1
65.71692	0.1
71.01277	0.2
71.24342	0.2
78.95788	0.1
80.77261	0.1
83.32527	0.1
87.00782	0.1
96.95890	0.2
129.06259	0.1
168.86472	0.1
171.10182	0.1
193.89784	0.1
209.11801	0.2
211.13487	0.1
289.18271	0.5
291.19745	0.1
309.20724	0.2
491.23883	0.1
502.33224	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.9
69.34467	12.9
69.49474	1.4
71.01249	7.3
73.02816	2.8
85.02795	3.6
87.00770	1.7
91.01755	3.6
99.00721	3.0
101.02297	2.7
108.02034	11.6
109.02843	11.8
110.14207	1.7
111.00747	1.8
113.02312	1.5
114.74121	1.4
121.02856	3.5
122.03632	2.6
123.04381	8.7
124.24493	1.4
131.04852	2.1
134.03595	3.9
137.02325	3.7
143.04977	2.3
145.06384	2.5
146.03596	7.6
147.04424	9.3
149.05931	1.7
152.01079	2.3
158.03627	1.6
159.04419	100.0
160.05196	21.4
160.37645	1.5
161.02415	3.0
161.04550	3.1
161.05965	31.3
161.07239	3.2
163.03896	4.1
171.04350	2.8
172.05161	4.6
173.02350	4.7
173.05997	46.7
174.03090	2.5
174.06337	2.4
175.03912	3.8
187.03973	8.3
191.03391	2.1
193.04950	3.8
199.03915	6.1
203.03391	7.0
204.04138	4.4
205.04999	2.0
209.06085	1.5
213.05499	2.7
217.01344	2.6
219.06552	3.8
224.04770	3.0
229.01369	2.7
230.50078	1.6
237.05615	2.9
239.07101	6.4
241.05043	12.9
242.05771	2.1
249.05672	1.8
250.06288	2.9
251.07097	3.5
252.04175	2.8
253.05002	7.2
253.08644	2.4
254.05757	4.6
256.07349	5.7
261.05511	5.9
262.06311	3.2
263.07010	5.3
264.07806	2.7
265.05054	5.1
265.08295	1.9
266.05820	6.8
266.09464	1.5
267.06625	32.3
268.07321	3.7
269.08179	3.5
277.05008	4.1
278.05838	6.1
279.06665	16.4
280.04349	1.7
280.07233	9.5
281.08160	22.5
282.05832	3.3
282.08978	57.0
283.09271	4.3
289.05170	2.9
290.05771	5.1
291.06534	4.6
292.07556	2.1
293.04562	3.6
293.07877	1.8
295.06369	2.0
295.09573	8.6
297.11292	65.8
298.11615	6.0
305.08038	1.9
306.05396	10.0
307.06122	40.8
308.06857	42.3
309.07239	4.2
321.07632	11.5
322.07904	2.0
323.09229	54.3
324.09479	6.3
333.09561	2.0
339.08722	1.7
341.10287	29.5
349.07144	5.0
352.05679	2.6
367.08258	21.5
385.09348	7.8
393.06122	24.5
411.07312	3.4
423.15216	3.5
747.24786	5.9
791.23792	18.1
792.24652	3.1
817.22021	29.4
818.22607	6.2
835.23071	65.4
836.23242	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	835.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.0
59.01254	21.8
59.12916	0.5
61.88060	0.5
61.98706	12.2
62.48372	0.4
63.21276	0.5
68.99688	0.4
69.03336	1.9
69.44149	3.8
71.01255	21.6
71.04951	0.5
72.99182	1.9
73.02821	3.7
75.00742	1.1
78.95786	0.9
80.96385	0.5
81.03339	1.1
83.01259	2.8
83.04911	0.8
85.02819	4.5
86.77657	0.5
87.00755	6.0
89.02320	14.2
93.03340	0.6
93.67323	0.4
95.01283	1.5
96.95899	0.8
97.02834	2.7
97.06478	0.7
99.00778	1.3
101.02331	12.2
109.02874	0.5
111.00784	0.9
111.08040	1.7
113.02352	5.5
119.03405	2.9
121.02852	0.8
123.00758	0.6
125.02365	4.0
125.23969	0.5
134.03671	1.3
135.04424	1.0
137.02333	0.6
139.03871	0.6
143.03438	0.7
145.02849	0.6
146.03548	0.5
147.04437	1.5
148.05212	0.6
149.02400	0.8
149.06026	0.7
159.04312	0.7
161.04469	1.6
163.03917	0.7
165.12764	9.9
166.13109	1.0
175.03871	0.9
177.01804	0.6
179.05533	0.8
182.30806	0.5
183.13835	100.0
184.14163	4.9
193.05022	0.8
201.11314	0.8
202.06119	0.6
203.03378	0.6
209.11751	5.3
211.13318	1.3
221.06647	2.3
227.12834	8.5
228.13112	0.6
235.08192	1.7
237.04092	0.6
253.09436	0.5
280.23911	0.6
294.95428	0.5
343.08099	1.1
379.12134	0.5
397.13464	3.9
415.14569	0.5
521.18152	0.5
549.38928	0.5
607.25854	0.8
625.27216	2.9
626.26746	0.9
757.58661	0.6
791.40576	6.9
792.41498	1.3
817.39386	4.2
835.39716	92.8
836.40100	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.47
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
61.16078	0.4
61.98709	4.2
65.04318	0.4
71.01259	4.8
71.04877	2.5
71.53231	0.6
73.02818	0.8
75.00748	1.2
78.95757	0.5
80.02551	0.7
80.96323	0.5
81.03351	1.5
82.95271	0.6
83.01262	1.2
83.04902	1.4
83.37650	0.4
85.02834	1.4
87.00758	2.7
89.02316	2.3
93.03362	0.6
95.04925	1.7
97.02836	1.3
97.06479	1.4
98.03559	0.6
101.02322	3.4
106.04104	0.6
107.04918	0.5
108.02011	0.5
109.06474	7.0
111.04416	2.1
111.08035	0.6
113.02331	2.4
119.03345	0.7
121.06458	1.2
123.04440	2.0
123.08071	1.5
125.02323	0.8
125.05989	0.6
125.09618	3.3
127.07540	1.2
130.99767	0.5
134.03621	0.7
135.08058	0.8
137.09618	2.0
143.10648	1.4
145.06483	2.0
147.04411	0.9
149.06027	0.6
149.09592	1.2
161.04465	1.3
163.11217	3.1
165.12811	0.9
167.10669	1.9
171.10167	1.2
177.12798	1.0
179.10747	1.1
181.12206	1.1
185.11771	4.7
191.10675	0.5
191.14420	2.9
195.13872	2.4
207.10222	2.3
209.11781	8.8
210.12199	0.7
211.13322	1.3
217.15895	0.9
225.11311	1.6
235.08214	2.1
237.11235	1.3
237.14987	1.3
243.17331	0.5
245.19055	8.6
246.19423	0.5
251.16417	0.6
253.09274	9.6
263.20166	1.9
271.17108	1.6
277.21771	1.5
287.16373	2.6
289.18097	100.0
290.18448	8.7
291.19504	1.2
305.17554	1.5
307.19144	26.3
308.19501	3.0
309.20731	1.5
313.18167	0.5
456.19763	0.5
499.30692	0.9
525.27118	1.4
543.28271	0.8
579.36908	0.8
597.37738	1.2
615.38824	0.9
645.72491	0.5
677.36041	0.5
717.39081	0.9
815.45184	1.3
833.45306	2.7
834.45325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	10.7
69.74646	7.2
71.01260	7.7
84.07808	1.8
85.02833	3.8
87.00742	10.2
89.02335	3.1
90.35537	1.6
91.15852	1.7
93.03373	3.1
98.19852	3.4
102.89373	1.7
108.02048	3.9
109.02854	2.9
113.02317	1.9
117.03374	3.3
121.02840	5.9
122.03659	2.6
123.00767	2.8
123.04405	27.7
124.01569	3.1
128.17043	1.6
133.02858	10.2
134.03642	4.4
137.02386	3.0
138.03120	3.1
145.02864	2.4
147.04422	7.6
149.02351	5.6
149.05960	8.7
150.03061	3.3
151.00313	4.9
152.01138	1.9
158.03554	1.7
159.04437	11.0
160.01671	2.0
160.05028	1.8
161.02354	43.9
161.06003	2.6
162.02826	2.4
162.77068	1.8
163.03915	5.0
165.01836	1.9
165.05458	6.0
172.05347	2.9
173.02348	4.4
173.04628	1.8
173.05911	8.9
175.03940	6.2
177.01884	2.8
187.00290	9.6
187.03937	4.7
189.01859	71.5
190.02252	5.0
191.05479	2.3
193.04979	7.0
195.02936	4.0
199.03941	4.8
217.01416	2.1
221.06010	2.6
223.04060	1.8
223.07677	3.0
225.05457	3.3
227.03445	3.9
238.06154	2.0
239.03510	3.2
239.07106	6.5
240.04134	2.1
243.03017	2.2
244.03636	2.2
249.05531	9.3
250.06331	2.3
251.07211	3.5
253.01653	1.8
255.02956	4.8
255.05171	30.3
256.03354	3.0
256.05765	2.1
265.04959	3.1
267.06598	6.0
270.01825	2.0
277.05029	28.9
278.05640	8.3
279.06619	7.8
281.04489	4.1
283.02383	2.3
284.03220	6.3
285.03961	4.8
293.04733	3.6
294.02319	1.9
294.05353	6.7
295.02695	3.0
295.06009	15.8
296.06644	3.7
297.00598	1.8
297.04044	2.9
297.07349	4.0
299.05695	3.1
305.04492	11.3
306.05368	2.6
307.06131	2.5
309.07779	2.7
310.00995	2.3
310.08392	7.1
311.01944	3.0
311.05588	3.4
312.02707	6.0
312.10114	3.0
313.03354	11.5
314.07947	2.1
322.04779	12.1
322.08206	3.3
323.05545	28.1
324.06104	4.3
325.10895	5.7
327.04977	3.9
328.05768	5.6
337.07166	20.1
338.07889	30.7
339.08374	4.6
342.07431	13.7
343.08194	21.1
351.08768	4.8
353.10281	43.6
354.10620	5.8
369.09827	5.6
397.08960	8.5
429.06772	3.1
493.15366	2.5
501.04620	7.3
502.04959	2.5
503.09543	6.0
519.13110	6.9
531.09314	100.0
532.09613	20.8
537.13953	17.9
538.14508	3.7
575.08319	14.4
576.08649	4.0
743.33228	8.9
787.31903	17.2
788.32825	4.8
813.29376	5.1
831.31287	36.9
832.31537	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	831.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.8
78.95776	100.0
79.95617	1.5
80.96385	4.8
90.26321	1.2
94.97941	1.7
96.96844	25.1
113.26688	1.2
134.98409	2.3
152.99510	32.7
223.00110	12.0
224.45566	1.2
229.18152	1.5
236.37140	1.3
241.01144	49.2
241.03615	2.6
242.01598	1.2
255.23262	86.8
256.23566	10.3
259.02182	4.1
264.79822	1.2
277.21719	52.0
278.22012	4.8
294.65063	1.2
297.03693	3.4
391.22620	7.3
392.22675	1.5
392.95837	1.4
413.20834	2.1
553.27612	6.1
831.50220	89.6
832.50476	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85587	6.2
87.00747	21.0
99.00785	2.9
123.04411	3.3
163.03900	6.4
187.04039	3.1
191.05499	3.5
193.25635	2.8
193.27487	2.4
213.05510	4.3
215.03365	5.5
225.05466	2.9
226.06258	2.4
227.03459	7.7
228.04196	3.9
229.04982	11.7
241.05022	4.5
243.02991	2.8
254.05832	3.8
255.02905	9.3
255.06609	5.7
255.99934	3.4
257.04388	2.9
271.02457	9.3
272.03085	4.5
273.04102	6.4
280.03662	2.8
281.04501	4.7
285.03973	4.3
297.03894	5.6
333.07574	3.6
334.08597	3.0
349.07117	12.7
363.05020	3.9
377.06647	6.5
378.07513	3.4
389.06564	3.1
391.04340	3.6
403.04468	5.5
405.06079	6.3
406.06943	56.7
407.07578	31.0
432.08627	6.2
433.09302	5.0
435.07858	2.8
448.07666	2.9
449.08557	4.0
503.06549	3.5
539.08289	12.0
610.41058	2.8
701.17139	8.3
727.18665	4.3
771.17871	7.1
773.15662	10.9
774.15509	2.7
797.15619	6.4
833.17780	100.0
834.18152	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	8.3
61.98699	4.9
69.03352	1.7
71.01245	7.9
71.53226	2.2
85.02831	3.4
87.00758	11.6
89.02340	2.9
93.03358	2.8
97.02882	1.6
99.00774	2.9
101.02351	2.6
108.02063	3.5
109.02886	2.0
113.02368	3.3
121.02875	3.1
123.00758	2.7
123.04408	8.8
124.01587	1.9
125.02324	1.7
129.43201	1.4
131.04866	1.4
133.02783	2.3
134.03607	1.8
137.02318	7.3
138.03114	3.3
139.03915	2.0
145.02818	3.6
146.03668	2.6
147.04428	6.9
148.04866	1.6
149.02313	3.8
149.05959	3.6
150.03107	4.5
151.03883	3.6
152.01006	2.5
153.01869	2.3
153.05482	2.4
155.10689	1.8
159.04428	15.6
160.05165	3.3
161.02339	13.1
161.05945	2.6
162.03052	1.6
163.03917	6.4
164.04674	2.6
165.05466	3.8
171.04451	2.7
172.05231	2.5
173.02377	7.0
173.05989	11.9
175.03940	4.0
177.01855	2.0
177.05495	2.2
179.07114	2.2
182.86050	1.4
187.00262	3.4
187.03943	9.8
189.01869	14.7
190.02313	1.9
191.03482	1.9
191.05513	2.3
193.05014	5.6
195.06508	2.8
199.03970	6.1
217.01381	5.6
223.07716	1.8
225.05629	2.3
227.03452	2.2
227.16588	2.1
229.01407	2.1
233.06165	1.9
238.06140	1.8
239.07112	4.8
248.04659	1.6
249.05569	11.4
250.06197	2.7
251.07126	7.2
255.02821	2.4
255.05118	9.7
261.05560	2.2
264.04373	1.7
265.05182	1.8
267.02780	1.9
267.06635	11.0
270.05280	2.2
271.02661	1.9
277.05109	39.5
278.05753	8.3
279.06638	10.3
280.07303	2.2
281.04553	3.8
284.03177	2.4
293.04495	5.1
294.05362	10.1
295.02988	2.9
295.06070	20.1
296.03305	2.0
296.06726	7.9
297.04117	1.7
297.07629	6.3
305.04565	19.4
306.05310	3.4
307.06128	3.7
309.07608	2.0
310.08493	8.5
311.05661	2.5
311.09219	4.3
312.10022	4.2
313.03571	3.2
319.06137	2.8
321.04120	4.4
322.04807	17.8
322.08334	4.4
323.05603	43.3
324.05981	5.3
325.10785	8.4
327.12381	4.4
328.05545	3.1
337.03500	4.4
337.07172	39.9
337.11099	3.2
338.07919	55.0
339.08438	6.3
342.07401	3.8
343.08130	12.3
351.08447	7.7
353.10315	100.0
354.10715	11.7
371.11420	2.1
379.07867	1.9
382.06769	2.8
397.09219	20.5
398.09744	3.2
423.07321	7.1
455.19415	2.1
463.07230	1.8
473.04916	2.0
501.04584	3.8
503.09830	2.4
531.09332	44.9
532.09723	9.2
575.08258	8.1
576.09113	1.8
592.51221	1.6
743.32898	18.8
744.33240	5.4
769.30182	2.1
787.31824	39.1
788.32483	12.8
813.30151	11.7
814.30554	4.2
831.30939	89.7
832.31561	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.5
71.01249	7.5
83.01247	1.7
85.02830	2.7
87.00754	23.8
91.01772	2.7
99.00732	1.2
101.02321	4.0
108.02044	12.0
109.02850	11.7
113.02306	2.5
121.02861	1.6
122.03618	2.7
123.04414	6.5
131.04848	1.4
133.02838	2.2
134.03625	2.7
135.04381	3.9
136.01558	2.1
137.02347	2.4
138.45605	1.0
143.04900	1.6
145.02873	6.1
146.03577	3.4
147.04440	7.3
149.02193	1.3
149.06018	3.1
150.03203	1.3
151.00275	1.7
151.03896	2.6
152.01065	7.7
153.01758	1.6
156.59285	1.1
159.04433	35.6
160.05212	10.0
161.02339	11.7
161.04541	2.0
161.06001	13.5
162.03120	6.8
163.03915	6.8
165.05536	1.7
171.04419	1.4
172.05223	1.9
173.02354	8.3
173.06001	14.3
174.03062	3.1
175.03934	12.7
176.04457	1.3
181.04970	1.3
185.06012	2.7
187.03873	3.5
189.01942	1.6
189.05466	2.9
193.05000	2.0
195.06575	1.5
199.03961	2.5
199.07617	1.2
203.03395	4.5
204.04210	5.3
205.04877	2.3
209.05890	2.2
211.07402	1.3
212.04713	1.3
213.05516	4.8
217.05020	1.6
219.06604	1.4
224.04613	1.8
225.05482	3.1
226.06239	1.6
227.07054	4.0
229.71524	1.4
235.02428	5.7
236.04852	1.2
237.05489	4.3
238.06282	2.4
239.07069	5.1
240.04221	3.9
241.05031	14.9
242.05815	2.8
253.05084	5.9
254.05797	10.4
255.06612	21.1
256.07382	68.1
257.07794	7.4
263.03522	1.4
263.07007	1.6
264.04422	1.8
265.04999	5.9
266.05844	12.9
267.06570	7.9
268.07254	2.0
269.08124	8.3
270.08411	1.5
271.09747	32.7
272.10059	3.2
279.06509	5.0
279.09225	1.3
280.03973	2.4
280.07211	3.5
281.04526	10.5
281.08145	9.6
282.05307	21.2
282.08932	16.0
283.05850	3.9
284.06870	3.4
285.03842	1.4
290.05563	1.4
295.06073	12.4
295.09616	2.9
296.06937	9.0
297.07632	47.8
297.11276	22.3
298.08389	8.4
299.09262	13.8
300.02557	1.8
307.06058	9.7
308.06918	7.8
309.03995	1.5
310.04654	2.2
313.03348	3.1
313.10767	9.4
315.08755	1.5
321.07739	2.7
323.09229	10.2
324.05972	1.5
325.07071	8.8
339.08600	3.9
341.10327	12.1
342.10754	1.3
343.08188	5.9
351.11139	1.8
357.09802	2.1
367.08160	11.5
369.06122	3.2
385.09222	3.9
393.05954	1.8
401.14377	1.2
411.07126	7.9
429.08289	12.8
447.11337	1.4
541.48004	1.1
727.22559	1.6
741.23639	1.4
769.22821	2.8
771.21600	6.0
795.21533	2.8
831.23413	100.0
832.23920	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	5.7
70.31840	9.8
93.03325	8.1
99.00739	3.8
109.02804	14.7
111.00769	7.9
121.02863	19.8
123.00774	9.0
124.01551	9.5
136.07375	3.1
137.02357	6.1
148.01591	6.1
149.02335	6.3
151.00259	3.3
159.04436	5.1
160.05194	5.0
161.02269	3.2
161.05995	4.1
163.00252	5.2
171.04462	4.8
175.00215	5.4
183.04419	3.8
184.05275	4.2
187.03912	5.9
188.04738	3.6
189.01819	4.0
189.05489	9.7
195.62538	2.9
203.07246	3.8
209.06024	5.9
211.03949	5.6
211.07683	3.4
212.04623	5.0
213.01955	3.7
213.05525	10.8
214.02660	4.5
214.06204	3.3
225.05487	8.2
226.06165	3.1
227.03334	10.6
227.07071	7.6
229.01389	5.8
229.05173	3.2
231.06538	8.7
235.04057	3.4
237.05522	11.2
239.03416	3.4
239.06970	5.3
240.04167	7.7
241.05011	9.0
242.02086	3.3
252.04156	5.6
253.04974	20.3
254.01663	3.3
254.05775	16.0
255.02971	9.7
255.06625	33.8
256.00101	13.9
256.06989	4.1
257.00864	13.3
258.01624	3.1
259.02264	3.5
264.04291	3.7
265.04993	9.4
266.05719	3.8
267.02966	4.4
267.06625	8.1
269.00864	21.3
269.04471	9.2
270.01257	3.2
270.05301	6.9
271.02451	4.8
279.02936	5.0
280.03595	8.0
281.04547	34.5
282.01871	5.9
282.05130	8.2
283.02432	8.9
283.06079	13.8
293.04529	9.1
294.05115	4.8
295.02475	4.0
295.05963	3.5
297.03979	15.1
298.04694	14.0
299.05649	23.3
309.03925	4.0
311.05643	9.1
313.03436	4.7
325.03552	9.3
326.04443	5.2
327.04962	7.8
346.36157	3.0
347.05597	6.8
353.02713	3.2
371.03952	3.2
384.28790	3.4
405.05978	6.6
406.02545	4.0
407.04105	13.5
417.58820	3.3
418.03250	16.0
419.03839	21.0
430.06870	8.1
431.07565	22.2
433.05774	5.0
447.06839	5.2
448.07928	100.0
449.08496	30.6
475.06519	4.2
492.07019	5.3
493.07642	4.0
713.13696	9.7
743.18164	78.5
744.18848	14.3
769.16431	6.4
787.17065	55.6
788.17365	11.0
813.15149	69.7
814.15765	9.9
831.16223	46.6
832.16644	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	831.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.3
69.33920	10.7
69.34324	5.4
69.62743	1.7
71.01243	7.7
73.02821	3.9
75.30312	1.7
78.39964	1.9
83.01235	2.1
86.30225	1.7
87.00734	10.9
89.02336	2.2
91.01753	4.3
91.11826	1.8
93.03335	4.3
98.20628	2.8
99.00742	5.1
101.02328	4.1
104.60674	1.6
108.02067	9.9
109.02853	11.5
110.01454	1.9
110.47641	2.0
114.24022	1.8
119.04903	6.0
121.02825	3.7
122.03634	5.5
123.00687	1.8
123.04432	9.4
125.02373	5.4
126.18895	1.7
129.03343	4.1
130.99762	2.0
131.04913	3.0
134.03651	3.7
137.02321	4.4
145.06496	2.6
146.03630	8.3
147.04408	28.6
149.02379	2.5
149.05913	6.0
150.03139	3.0
151.00247	2.9
159.04430	100.0
160.05212	24.6
160.55623	1.8
161.02354	4.2
161.05991	20.6
163.03947	2.6
165.01778	2.9
165.05553	2.5
172.05148	2.9
173.02393	4.7
173.05995	46.2
174.06224	2.9
175.03960	4.0
178.99692	2.7
187.03873	7.7
191.03386	7.8
193.04944	4.0
195.06569	2.5
196.05270	2.4
199.03909	4.4
203.03423	8.7
204.04155	4.5
212.08028	2.1
213.05449	4.7
217.01355	3.9
219.02779	2.0
219.06531	3.0
223.07541	2.0
224.04796	2.3
237.05501	3.2
238.06279	3.0
239.07083	4.3
241.05023	12.6
242.05679	2.9
243.02847	2.1
249.05482	3.1
250.06332	4.3
251.07091	6.5
253.04977	8.0
253.08719	3.3
254.05753	6.8
255.02876	4.8
255.06462	3.0
256.07373	3.3
261.05499	4.3
262.06119	3.2
263.07126	5.1
265.05008	5.2
265.94107	1.9
266.05792	8.2
267.06628	32.2
268.07095	3.6
269.08203	3.9
271.02475	9.4
277.05078	4.6
278.05768	4.1
279.06622	18.2
280.07385	14.6
281.08127	20.8
282.05814	3.0
282.08975	52.7
283.09268	5.9
289.05014	4.5
291.06586	4.6
293.04642	3.2
295.06424	4.2
295.09634	10.5
297.11304	61.0
298.11447	4.1
300.02710	19.5
305.04565	2.9
306.05157	7.8
307.06122	39.1
308.06870	38.4
309.07147	5.0
313.07190	2.6
321.07660	12.1
323.09225	61.9
324.09473	5.7
339.08588	2.7
341.10297	26.7
343.08057	6.2
349.07309	5.8
352.05820	2.7
367.08173	30.1
385.09183	5.5
393.06161	20.8
411.07004	2.7
421.40900	2.0
617.18500	3.6
643.15906	2.4
661.16125	3.8
666.21826	4.4
687.15540	2.8
705.17004	4.4
741.18945	17.8
743.21680	5.7
787.20349	14.8
788.22003	2.8
813.18951	25.0
814.19427	4.1
831.19745	67.3
832.19977	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	831.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	1.9
73.02810	1.0
85.02833	2.2
87.00748	6.6
89.00220	1.0
89.03841	1.3
101.02366	1.2
111.00785	1.5
113.02326	1.3
121.02835	2.2
122.03650	1.2
123.04411	14.7
128.76707	1.0
133.02846	4.0
134.03693	1.3
137.02327	1.2
145.02820	2.2
147.04442	2.5
149.02327	3.3
149.05994	5.6
159.04420	3.5
161.02357	30.2
161.05933	1.1
163.03906	1.4
165.05466	3.3
173.02338	1.5
173.06012	1.9
175.03970	1.1
187.00334	8.8
187.03812	1.9
189.01863	46.3
190.02286	2.4
191.03485	2.0
191.05473	1.6
193.04979	3.6
195.02907	3.0
199.03741	1.4
204.48424	1.3
211.03815	1.2
239.03366	1.3
249.05461	1.5
253.05226	1.2
255.02563	2.2
255.05089	29.4
256.05481	1.4
267.06467	1.3
269.00882	1.7
277.04962	5.8
278.05484	3.3
279.02969	1.1
279.06332	2.5
283.02368	1.3
284.03104	2.3
285.03802	2.1
293.04691	1.3
294.01959	1.0
294.05142	1.2
295.06027	4.8
296.06525	2.7
297.00446	1.1
297.07587	2.0
305.04614	2.4
307.06018	1.5
310.08444	1.6
312.02762	3.4
313.03656	5.9
314.04202	1.6
322.04791	1.6
323.05490	8.0
324.05829	2.7
327.05115	3.0
328.05899	3.2
337.07205	6.1
338.07880	10.4
339.08328	4.2
342.07559	12.6
343.08221	13.5
353.10303	13.8
354.10632	5.9
355.11044	1.4
365.77911	1.1
369.09680	1.9
397.04218	1.2
397.09399	3.4
398.09512	1.8
424.07654	1.2
429.06067	1.7
457.06720	1.1
463.06693	3.0
464.06870	1.5
473.04807	2.2
483.03616	1.6
487.10593	2.8
501.04694	7.4
502.04749	1.2
503.09769	7.1
504.10165	1.4
519.12988	1.9
531.09326	100.0
532.09650	12.9
537.14044	8.9
557.06976	1.6
575.08154	16.1
576.08301	2.6
742.32159	2.0
743.31097	1.5
777.20129	1.4
786.31122	3.1
787.31335	5.1
813.30194	1.4
830.29578	5.0
831.30725	11.3
832.30072	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	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.7
61.98700	1.6
69.03333	1.4
71.01253	16.2
71.53342	0.4
72.99197	1.6
73.02827	3.1
81.03326	1.3
83.01252	2.3
85.02820	4.2
87.00756	6.0
88.98669	1.4
89.02320	12.7
91.76158	0.3
95.01258	1.5
97.02828	2.9
99.00760	0.9
101.02320	11.9
109.02822	0.4
111.04434	0.6
113.02336	7.0
115.03876	0.3
119.03392	3.5
124.01504	0.4
125.02339	6.3
125.09598	0.9
127.11175	1.8
131.03378	0.6
139.03865	0.6
143.03409	2.2
149.02345	0.4
149.04404	0.4
149.23090	0.3
153.09096	0.7
161.04456	3.5
167.03404	0.6
171.10185	100.0
172.10533	3.8
179.05544	3.4
181.05042	0.6
192.41570	0.4
199.06085	0.7
209.11809	0.9
210.12007	0.4
213.11191	0.8
217.07089	1.3
221.06648	1.2
235.08188	5.9
245.06500	0.3
252.30397	0.3
253.09250	1.1
259.08307	0.7
263.07776	0.4
275.19827	0.4
277.21722	53.7
278.22107	6.0
287.07776	2.2
291.23193	0.3
301.09125	0.5
305.08893	1.9
323.09723	0.8
379.07532	0.4
379.12433	8.8
380.12766	0.4
397.13492	33.3
398.13882	2.8
415.14569	6.8
416.14676	0.5
551.23401	1.2
569.24609	1.5
647.54706	0.4
676.37433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68300	0.7
61.62700	0.5
61.98642	0.8
69.25822	2.7
69.26250	1.9
71.01183	1.6
73.02781	0.5
75.00693	0.6
85.02780	1.2
87.00667	6.8
89.02273	0.7
89.03756	1.6
93.03288	0.7
96.95863	0.6
98.20564	1.1
101.02261	1.2
108.01996	1.0
109.02757	0.8
111.00711	1.1
117.03253	0.5
119.04885	0.5
121.02731	1.5
122.03539	0.7
123.00707	0.6
123.04417	18.2
124.01511	0.7
133.02859	5.2
134.03534	0.7
137.02269	1.2
145.02731	1.1
146.03595	0.6
147.04366	1.3
148.01524	0.8
149.02362	4.9
149.06020	4.0
150.03030	1.1
151.03838	1.1
152.00972	0.9
153.01712	0.7
153.05417	0.7
159.00752	0.7
159.04442	3.7
161.02368	26.8
162.02621	1.8
163.03806	1.8
165.01701	0.5
165.05496	3.6
172.05244	0.7
173.02249	1.5
173.06018	2.4
174.61784	0.6
175.03831	1.7
175.95348	0.6
177.01759	1.1
184.03880	0.5
187.00327	9.0
187.03809	2.1
188.00868	0.6
189.01874	46.5
190.02113	2.3
191.05341	0.6
193.05014	3.5
195.02933	3.4
195.04514	0.8
197.02332	0.5
199.03848	1.6
205.01364	0.5
211.03835	0.7
213.01779	0.8
217.01282	1.2
227.03439	1.2
229.01286	0.7
230.18849	0.6
230.99216	0.8
239.03426	0.9
239.06944	1.6
240.04117	0.8
241.04858	0.8
248.04578	0.7
249.05457	1.7
250.06123	0.6
251.07132	1.1
253.04840	0.6
255.05099	33.0
256.05402	1.4
266.02258	0.6
266.05530	0.6
267.02847	0.9
267.06528	2.2
268.03571	0.7
269.00757	1.3
270.01489	0.8
277.05038	6.8
278.05600	1.0
279.02948	0.9
279.06509	2.2
280.03656	0.7
281.04446	1.1
283.02356	1.1
284.03113	2.1
285.03714	1.0
293.04443	1.3
294.01700	1.0
294.05255	1.2
294.09030	0.5
295.02679	1.0
295.05975	4.0
296.06769	1.1
297.07672	1.2
299.05380	1.3
305.04581	2.4
306.04926	0.6
307.05981	1.1
309.07434	0.6
310.01044	1.4
310.08371	1.7
311.01794	1.4
311.05389	0.6
311.09189	0.7
312.02585	2.3
312.05951	0.6
312.09802	0.9
313.03433	3.5
314.07761	1.7
321.03912	1.1
322.04697	3.7
322.08203	1.3
323.05612	8.7
324.06073	0.7
325.10620	1.3
327.05011	1.5
327.08765	1.0
327.12207	1.0
328.05734	2.2
337.03424	0.7
337.07098	7.3
338.07965	9.6
339.04791	0.8
339.08508	0.6
341.04443	0.7
342.07504	10.9
343.04855	0.7
343.08282	8.2
351.08676	1.1
353.10287	17.5
354.10590	1.2
363.04889	0.7
369.03583	0.7
369.09915	2.0
382.06900	1.1
386.04333	1.1
387.04883	0.6
397.04230	0.9
397.09174	4.1
401.06705	1.1
403.11453	0.7
405.02463	0.7
423.07059	1.1
429.06290	1.4
441.02591	0.6
455.04443	0.6
463.06403	3.6
473.05121	2.4
483.03476	1.5
487.10333	2.2
498.06201	0.7
501.04584	4.8
503.09741	7.8
504.10193	1.1
513.08112	1.4
516.07141	0.8
519.13171	1.6
531.09338	100.0
532.09692	13.7
537.14075	4.7
557.07666	1.4
575.08246	18.0
576.08875	1.8
743.32928	3.4
787.31873	8.2
806.65857	0.6
813.30298	1.9
830.28906	1.0
831.31158	17.8
832.31464	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	829.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	5.4
67.74146	1.2
69.23889	9.1
69.24303	2.9
71.01241	5.0
72.99209	1.6
85.02818	2.3
86.07941	1.4
87.00742	3.0
89.02306	1.3
101.02314	2.6
101.97794	1.5
107.57190	1.1
107.86353	1.2
108.02020	1.9
109.02823	2.3
113.02320	3.9
119.04929	2.1
121.02828	2.3
123.00760	3.9
123.04453	2.2
124.01548	2.4
125.02312	2.1
131.04935	2.0
133.02806	2.1
134.03645	1.5
135.04398	1.8
137.02341	5.9
138.03119	4.1
139.03864	1.7
143.04935	1.3
145.02843	3.0
147.04393	6.4
148.01509	2.4
149.02359	3.2
149.05978	2.1
152.01044	2.2
153.01906	1.6
153.05457	1.4
159.04439	18.8
160.05072	4.2
161.02386	3.5
161.05946	3.7
163.03868	6.6
163.11217	1.5
167.03505	1.3
171.04411	2.1
172.05156	2.9
173.02292	8.2
173.05978	13.5
174.03137	3.1
175.03917	4.2
177.01862	1.4
177.05544	2.1
179.03442	1.3
185.02373	1.5
186.03107	2.6
187.03951	8.0
189.12776	2.8
193.04874	2.6
199.03896	7.3
203.03441	3.0
205.04935	1.4
211.07619	1.7
215.03494	1.4
217.01340	6.2
221.06097	2.2
223.07788	2.8
225.05498	2.0
229.01477	1.7
230.02023	1.2
233.06178	1.7
237.05678	2.0
239.07066	5.3
248.04652	2.0
249.05508	12.6
249.07582	1.5
250.06111	3.5
251.03435	1.4
251.07178	7.5
253.05006	2.3
255.02902	1.6
261.05606	2.8
263.03284	1.4
265.05066	2.3
266.05725	1.4
267.06622	8.2
270.05164	1.9
276.04227	2.1
277.05057	42.7
278.05698	8.6
279.06604	11.2
280.04041	1.7
280.07230	2.8
281.04526	5.3
282.05383	1.8
293.04514	4.1
293.07852	2.0
294.05341	11.6
294.08588	2.0
295.06125	26.8
295.09445	1.2
296.06824	5.5
297.07642	5.5
305.04556	19.8
306.05115	5.9
307.06046	6.4
308.07050	1.5
309.07874	3.0
310.08435	8.3
311.09137	3.8
312.10022	3.6
319.05771	1.6
321.03851	2.7
321.07568	2.3
322.04886	22.5
322.08398	4.3
323.05603	45.2
323.09436	2.7
324.05954	4.8
325.10745	9.0
326.11429	2.1
327.12396	4.2
336.06494	1.5
337.07193	39.3
338.07947	54.2
339.08353	5.3
343.08206	1.7
351.08652	6.0
353.10300	100.0
354.10571	8.7
367.04434	2.3
379.08353	2.0
382.06857	4.0
387.07172	3.1
397.04111	1.7
397.09277	25.5
398.09515	1.8
423.07178	8.9
491.11948	1.9
587.24286	1.7
741.31342	19.3
742.31622	3.1
767.29333	3.4
785.30292	36.0
786.30829	4.4
811.28412	9.1
812.28571	2.1
829.29303	91.5
830.29694	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	829.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	85.6
60.01583	1.6
61.98712	0.8
65.06738	0.5
68.94417	0.6
71.01257	7.5
71.41127	1.0
72.99187	1.0
73.02824	5.0
79.05435	0.6
83.01270	0.7
83.04907	2.9
85.02818	2.9
87.00763	5.6
89.02328	6.3
89.02849	0.8
90.64101	0.6
93.03342	1.0
94.51701	0.5
95.01267	0.6
96.95916	0.8
97.02795	0.7
99.00759	11.2
99.04395	2.6
99.88941	0.5
101.02322	3.1
109.02918	0.9
113.02347	3.3
117.03358	0.7
119.04906	1.8
119.08559	5.2
121.06507	1.0
123.04417	0.6
125.02337	1.3
131.03389	1.2
133.10106	1.7
134.03639	2.6
135.04433	1.5
135.08090	2.8
135.11707	1.6
137.02385	0.9
137.09630	16.2
137.10631	1.1
141.05487	0.8
143.03433	0.7
145.02933	0.8
147.04422	2.2
149.02393	0.6
149.04485	2.4
149.05956	1.2
150.03146	0.5
153.12932	0.6
160.01550	0.9
161.02351	0.6
161.04509	1.4
161.09674	3.4
163.03961	0.8
163.07550	3.1
165.05544	0.7
173.05951	0.6
175.03954	2.0
175.07487	0.6
177.01944	0.6
179.10704	7.8
181.08632	27.2
182.08990	1.5
185.06100	0.7
187.03969	0.6
188.04671	0.7
189.12730	0.6
190.02711	0.9
191.03418	1.3
191.05518	2.9
193.05009	3.7
197.11775	29.5
198.12120	1.8
215.07231	0.9
217.01277	1.0
223.09717	7.6
227.03499	0.8
233.06601	0.7
241.10791	24.7
242.11145	1.1
255.03041	0.9
284.03348	0.7
285.03943	1.0
297.15070	0.9
301.03519	0.9
329.02954	1.1
343.08191	1.0
359.07690	4.5
397.08945	0.6
429.21765	0.7
543.24408	1.5
561.25421	8.5
562.25909	0.7
565.26648	1.2
743.35376	1.1
767.34967	1.7
768.36078	0.6
785.36029	100.0
786.36371	20.2
829.34448	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	829.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	85.6
60.01583	1.6
61.98712	0.8
65.06738	0.5
68.94417	0.6
71.01257	7.5
71.41127	1.0
72.99187	1.0
73.02824	5.0
79.05435	0.6
83.01270	0.7
83.04907	2.9
85.02818	2.9
87.00763	5.6
89.02328	6.3
89.02849	0.8
90.64101	0.6
93.03342	1.0
94.51701	0.5
95.01267	0.6
96.95916	0.8
97.02795	0.7
99.00759	11.2
99.04395	2.6
99.88941	0.5
101.02322	3.1
109.02918	0.9
113.02347	3.3
117.03358	0.7
119.04906	1.8
119.08559	5.2
121.06507	1.0
123.04417	0.6
125.02337	1.3
131.03389	1.2
133.10106	1.7
134.03639	2.6
135.04433	1.5
135.08090	2.8
135.11707	1.6
137.02385	0.9
137.09630	16.2
137.10631	1.1
141.05487	0.8
143.03433	0.7
145.02933	0.8
147.04422	2.2
149.02393	0.6
149.04485	2.4
149.05956	1.2
150.03146	0.5
153.12932	0.6
160.01550	0.9
161.02351	0.6
161.04509	1.4
161.09674	3.4
163.03961	0.8
163.07550	3.1
165.05544	0.7
173.05951	0.6
175.03954	2.0
175.07487	0.6
177.01944	0.6
179.10704	7.8
181.08632	27.2
182.08990	1.5
185.06100	0.7
187.03969	0.6
188.04671	0.7
189.12730	0.6
190.02711	0.9
191.03418	1.3
191.05518	2.9
193.05009	3.7
197.11775	29.5
198.12120	1.8
215.07231	0.9
217.01277	1.0
223.09717	7.6
227.03499	0.8
233.06601	0.7
241.10791	24.7
242.11145	1.1
255.03041	0.9
284.03348	0.7
285.03943	1.0
297.15070	0.9
301.03519	0.9
329.02954	1.1
343.08191	1.0
359.07690	4.5
397.08945	0.6
429.21765	0.7
543.24408	1.5
561.25421	8.5
562.25909	0.7
565.26648	1.2
743.35376	1.1
767.34967	1.7
768.36078	0.6
785.36029	100.0
786.36371	20.2
829.34448	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	829.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.3
59.01497	0.9
64.64153	0.8
71.01263	5.2
71.52919	1.4
72.99171	1.2
73.02810	1.5
83.01268	1.7
84.64622	1.0
85.02809	3.5
87.00745	3.7
89.02332	1.8
92.94017	1.0
93.03349	1.2
95.01253	1.3
101.02332	3.8
105.48644	1.0
106.88966	0.9
108.02101	1.3
109.02846	2.1
113.02322	1.8
119.04884	1.9
121.02847	3.0
123.00758	3.9
123.04409	2.1
123.08064	1.4
124.01545	1.8
125.02322	1.6
131.04903	1.2
133.02824	1.1
134.03592	2.2
135.04411	1.7
137.02362	6.2
138.03128	3.3
139.03938	1.4
141.23624	1.0
145.02841	1.0
146.03638	2.0
147.04430	5.8
148.01544	1.3
148.05170	1.6
149.02307	2.9
149.05974	1.6
152.01027	2.2
153.05487	2.7
158.03654	1.9
159.04434	20.1
160.05005	1.6
161.02357	4.5
161.05975	2.8
163.03912	6.1
163.11270	2.2
164.04778	2.3
165.05379	1.2
171.04422	2.9
173.02408	7.7
173.04572	1.4
173.05984	12.3
174.03059	2.0
175.03891	3.6
176.04753	1.1
177.05513	2.3
187.03964	8.0
189.01944	1.0
189.05449	1.3
189.12749	2.8
190.02635	1.3
191.03348	1.4
193.05008	3.1
199.03961	8.9
203.03407	4.1
204.04176	1.3
205.04984	1.2
209.06032	1.4
211.03793	1.6
211.07608	1.6
217.01355	4.6
217.05048	1.9
221.06042	1.8
222.06819	1.2
223.07787	2.1
224.04727	1.5
225.05481	2.9
227.03586	1.0
229.01259	1.9
233.06174	1.3
238.06439	1.2
239.03284	1.3
239.07100	5.1
248.04865	1.1
249.05571	13.1
250.06256	3.1
251.07191	7.2
253.04994	2.0
255.02788	1.3
261.05496	2.6
262.06360	1.2
263.07214	1.7
264.04318	1.4
265.05072	3.5
266.05841	1.8
267.06619	10.7
268.07263	1.2
271.06085	1.5
277.05057	48.8
278.05655	8.0
279.03415	1.9
279.06604	9.3
280.03827	2.4
280.07120	2.1
281.04550	3.6
282.05310	2.2
282.08987	1.6
283.05945	1.2
285.07397	1.2
291.06781	1.6
293.04587	4.2
294.05350	11.9
295.06143	28.9
295.09567	1.5
296.06772	5.7
297.04086	2.8
297.07620	4.2
298.08133	1.3
305.04575	21.4
306.05270	4.8
307.06152	6.2
308.03250	2.8
308.06638	1.6
309.07568	3.2
310.08459	8.8
311.09186	4.5
312.06586	2.0
312.09991	4.8
313.10446	1.2
320.06790	1.5
321.03931	2.6
321.07574	2.5
322.04907	24.1
322.08582	3.5
323.05606	46.9
324.05969	5.6
325.07419	1.7
325.10800	8.6
326.11465	2.0
327.08771	1.9
327.12402	3.7
336.06332	2.1
337.03098	2.2
337.07175	37.3
338.07956	50.5
339.08344	6.0
343.08203	1.7
351.08652	8.2
352.09259	1.6
353.10309	96.3
354.10635	9.0
367.04602	1.4
382.07074	2.8
397.04095	1.6
397.09293	25.4
398.09689	1.6
423.07193	6.6
491.11993	2.7
601.23517	1.1
741.31323	19.9
742.31805	4.2
767.29706	1.9
785.30359	35.3
786.30365	9.4
811.28351	9.8
812.28455	2.6
829.29279	100.0
830.29608	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.9
61.98729	1.4
63.80730	0.6
65.00229	1.3
69.27802	4.8
73.02839	0.6
77.98843	0.5
83.01310	1.1
85.02856	0.7
87.00745	2.8
89.02390	0.7
89.81564	0.6
93.03386	1.8
98.20515	0.9
99.00774	0.6
99.68318	0.5
101.02390	1.3
107.01302	2.0
108.02106	1.2
109.02876	0.5
113.02381	1.6
117.03342	0.6
119.04958	0.9
121.02846	5.4
123.04474	0.9
125.02381	1.1
131.05008	0.6
132.02106	1.4
134.03685	1.9
135.00821	1.0
137.02393	1.3
145.02896	1.5
147.04466	2.2
149.02390	0.9
149.06003	1.3
150.03151	0.5
151.00294	4.9
153.01944	0.8
157.06549	0.6
159.04472	1.0
160.01620	0.6
163.00302	1.1
163.03970	0.8
164.01184	0.6
164.04770	0.6
165.01846	0.5
165.05466	0.9
169.01405	0.8
169.06537	0.6
173.02405	0.6
173.04567	0.7
174.03181	0.7
175.00293	0.7
175.03976	1.8
175.07509	0.5
176.01158	1.1
177.01855	0.7
178.99806	1.8
179.03622	0.5
183.04512	1.6
185.02412	0.7
185.06030	1.1
187.03952	1.9
189.05579	0.8
190.02664	1.6
190.99857	0.9
191.03482	1.5
191.05557	1.0
192.04269	0.6
193.05023	2.0
195.06543	0.7
196.05096	0.5
197.06071	0.6
199.03951	0.7
205.05051	0.8
207.03165	0.6
209.00647	0.5
211.04005	2.3
212.04649	0.7
213.05519	1.2
227.03465	43.0
228.03824	3.8
229.05037	3.5
239.03439	0.8
240.04092	0.7
241.05025	1.1
251.07185	0.7
255.02979	78.1
256.03488	9.2
257.04471	3.8
267.06717	0.6
268.04025	0.6
271.02625	1.0
283.02509	3.4
284.03278	100.0
285.03964	30.8
286.04422	1.8
297.03839	0.7
311.83865	0.5
322.04547	0.7
323.05475	1.3
337.07281	1.4
338.07651	0.7
343.08249	1.1
353.10400	0.9
367.04730	0.7
382.06842	1.0
397.09290	4.3
423.06830	0.9
449.27646	0.9
491.28403	1.3
619.39410	0.6
707.18250	34.5
708.18610	6.3
785.35339	1.3
829.21472	35.6
830.21875	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	829.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.8
69.30939	10.3
70.57734	1.1
71.01248	6.4
73.02826	2.8
81.62782	1.2
85.02824	2.7
87.00757	16.7
89.02260	1.4
94.56615	1.1
95.01221	1.5
96.68327	1.0
98.19836	2.1
101.02331	3.7
108.02090	1.8
109.02854	2.6
110.84740	1.1
113.02341	2.0
121.02847	3.0
123.00776	2.2
123.04407	1.8
125.02428	2.3
130.99744	1.5
135.04405	2.4
137.02335	3.4
138.03122	3.6
139.03961	1.8
143.04897	1.3
145.02849	1.6
146.03601	1.6
147.04431	9.5
153.05508	2.2
159.04433	29.3
160.05127	5.1
161.02351	10.4
161.04662	1.8
161.05978	12.0
162.03099	5.4
163.03894	2.8
173.02359	3.4
173.05977	9.0
174.03091	1.9
175.03888	9.5
176.04433	1.5
177.01811	1.9
185.80318	1.2
187.03987	2.7
188.04710	2.5
189.05551	2.4
191.05534	5.2
197.05914	1.8
203.03438	4.5
204.04175	2.7
205.05133	2.1
215.07112	2.7
225.05548	17.9
226.05811	1.8
227.06993	2.6
228.04268	1.8
237.09775	2.0
240.04294	2.0
241.05042	3.6
243.06544	2.1
251.03407	3.1
251.07115	3.1
253.05064	16.9
254.05664	4.7
255.06467	2.7
256.03607	2.3
256.07352	5.8
267.06689	3.0
269.04532	8.5
269.07938	2.1
270.05338	3.4
271.06116	27.6
271.09253	2.9
272.06601	2.5
277.05154	2.7
279.03275	3.0
279.06570	4.4
280.07489	1.5
281.04559	10.7
281.07761	2.4
282.05286	5.2
283.05710	1.7
284.06976	3.7
285.07678	3.7
286.08463	21.7
287.08939	2.6
295.06076	3.4
296.03467	2.4
296.06805	4.4
297.04025	10.3
297.07684	12.5
297.11014	2.4
298.04538	1.9
298.08093	1.7
299.09290	4.8
301.10803	21.6
302.10999	2.0
304.89429	1.5
307.06152	2.2
308.06613	1.6
311.05624	2.3
311.09195	3.0
312.06326	9.8
312.10004	6.6
313.07178	2.6
313.10815	2.0
323.05621	2.9
325.07388	10.3
325.10876	2.0
326.07968	7.4
327.08698	29.1
327.12418	12.2
328.09344	5.6
329.10159	6.0
338.07852	2.7
343.11896	5.1
351.08621	2.4
353.10324	7.1
355.08075	5.7
369.09650	1.8
371.11530	8.5
387.10989	1.5
397.09222	9.3
399.07291	3.2
415.10428	2.3
423.07245	1.7
441.08240	4.6
459.09531	7.5
607.12775	1.4
769.21747	6.2
793.22345	3.0
829.24084	100.0
830.10046	0.9
830.24475	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.9
61.56022	1.1
61.98695	4.1
69.03340	1.6
69.37634	4.5
69.38062	5.5
71.01252	11.4
72.99187	12.5
73.02830	4.8
75.00737	1.2
78.95777	3.7
83.01304	1.8
85.02811	1.9
87.00751	12.4
88.98674	2.2
89.02324	2.4
89.03855	2.5
91.05415	3.3
93.03327	2.1
95.01240	1.3
99.00778	3.8
101.02309	6.0
108.02060	4.6
109.02837	21.2
113.02321	4.5
115.00259	1.9
116.44985	1.2
117.03355	4.8
119.04895	2.3
121.02834	14.3
122.03671	1.2
123.04419	12.6
125.02294	1.4
130.99765	1.4
132.02061	11.1
133.02867	3.2
134.03636	98.0
135.04440	36.4
135.07996	1.1
136.04762	1.5
137.02330	9.3
139.03915	2.9
146.03534	1.3
147.04433	13.8
148.05154	2.4
149.02307	2.0
149.05991	26.6
149.07904	1.1
150.03084	1.1
159.04463	1.2
160.01567	30.0
161.02307	1.9
161.04451	2.0
163.03934	3.8
173.05983	3.2
174.03252	1.5
175.03926	51.4
175.07547	1.4
176.04315	1.9
177.05446	1.5
178.02614	19.0
179.03308	1.7
185.05974	1.5
185.66705	1.1
187.03902	1.2
187.07550	2.1
188.04788	1.9
189.05551	1.4
191.03377	1.3
191.05435	1.5
191.07146	1.4
193.04997	100.0
194.05348	5.7
195.75525	1.2
197.06075	2.8
199.03925	1.1
201.05513	2.6
201.09145	1.8
203.07095	1.5
211.13412	1.5
211.23970	1.1
240.07864	2.1
241.04967	1.5
243.03059	1.4
253.08665	2.6
255.10374	2.0
256.07489	2.1
267.06769	1.3
271.09763	48.3
271.12732	2.3
272.10056	2.5
284.03198	1.5
285.11267	7.6
309.11365	5.1
310.08389	1.6
311.12970	2.9
313.10941	1.6
325.10669	3.0
327.12384	3.8
337.10703	1.8
339.12485	7.3
343.08124	2.1
351.12341	1.4
358.06711	1.2
367.11761	8.4
369.13477	5.1
385.12900	4.1
427.14014	3.2
547.18109	3.2
589.19263	59.0
590.19550	7.6
607.20361	32.1
608.20325	4.5
754.68878	1.5
783.24994	9.4
784.24915	2.2
827.39075	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	827.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	23.5
61.98706	0.9
67.01753	1.3
69.03323	0.7
70.68322	2.3
71.01267	5.7
73.02820	1.5
74.17393	0.7
81.03329	2.7
83.01290	1.0
83.04900	9.0
85.02818	8.4
87.00745	1.7
89.02349	3.8
97.02830	1.9
101.02319	4.0
109.06477	3.3
113.02308	2.1
116.92686	1.1
119.03378	1.3
123.04401	0.9
141.26326	0.8
142.02592	1.4
161.04480	1.7
164.01248	0.7
171.10190	6.5
177.12752	8.1
188.96556	0.7
195.13805	2.5
203.10736	1.7
221.11787	89.1
222.12111	4.7
235.08170	5.0
239.12878	39.2
240.13203	1.6
253.09238	10.4
259.27893	0.7
271.15405	1.1
277.21725	100.0
278.22119	8.5
313.16611	1.0
353.21527	0.8
457.20740	5.0
475.21933	8.5
595.83868	0.8
735.43304	18.7
736.43652	3.3
827.43994	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	829.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	2.6
62.36923	2.0
65.00208	2.4
69.95396	10.4
80.47505	2.0
83.01276	2.0
87.00727	2.1
93.03358	2.1
109.02819	3.3
121.02808	2.6
133.02864	7.2
137.02348	4.7
148.01578	3.7
149.02386	4.8
151.00270	6.6
159.04474	2.2
161.02370	5.2
163.00308	11.3
163.01469	2.1
173.04449	5.5
173.05865	1.9
175.00227	3.1
176.01088	8.2
177.01869	35.0
178.99794	4.1
181.42317	2.4
183.04417	2.1
202.99771	10.1
211.03951	7.0
227.03458	5.7
228.04300	2.5
239.03455	3.2
240.04243	3.2
241.04956	3.7
243.02975	6.4
255.03052	13.2
256.03726	13.0
267.03006	8.8
267.06674	5.1
269.04593	2.5
271.02515	23.8
272.03064	4.2
281.04575	2.1
283.02521	41.2
284.03287	12.9
285.03790	6.4
286.08493	2.4
295.02490	4.0
295.06082	3.9
300.02771	87.4
301.03439	17.4
301.10895	2.3
311.02155	15.3
312.02777	61.1
313.03473	25.6
323.01956	2.2
325.03638	2.0
327.08585	3.0
338.67957	2.2
353.02991	7.0
415.10669	2.6
498.81070	2.0
549.44067	1.9
595.13055	67.3
596.13763	11.7
607.13055	100.0
608.13397	12.9
639.91821	2.0
651.12030	4.3
730.07654	2.4
785.15906	13.1
829.24811	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	825.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.8
59.43900	1.3
66.90978	1.6
71.01263	6.2
72.12496	1.3
72.99174	1.4
73.02820	2.9
76.46037	1.2
83.01235	2.2
85.02821	2.4
87.00723	3.3
89.00227	1.2
90.82234	1.3
91.01772	1.3
93.03266	1.4
99.00754	2.8
101.02306	5.5
108.02003	1.5
109.02808	5.6
113.02319	3.3
121.02861	9.8
123.00759	6.6
124.01518	3.6
125.02309	5.9
131.04947	4.2
134.03606	1.5
137.02332	12.0
138.03137	10.7
139.03941	1.7
143.04901	2.6
145.02832	1.6
145.06447	2.8
146.03627	3.8
147.04414	10.0
149.06020	1.2
151.03993	1.5
152.04665	2.9
153.05443	4.1
159.04427	100.0
160.05223	17.7
161.02310	3.9
161.04585	2.2
161.05983	22.4
163.03868	2.7
171.04425	2.3
172.05228	2.8
173.02284	4.8
173.05997	39.5
173.07500	1.9
174.03125	1.5
174.06343	2.6
175.03920	5.3
186.03098	1.8
187.03888	6.3
187.73242	1.3
188.04491	1.3
189.05482	1.5
191.03377	3.1
196.05254	1.5
199.03926	3.6
203.03542	7.5
203.05031	1.5
204.03995	1.7
211.07535	1.6
212.04494	1.3
213.09178	2.6
217.01349	3.2
223.07542	4.7
225.05402	1.9
225.09065	2.4
227.03447	1.7
228.04231	2.2
229.01413	3.2
234.05434	2.0
237.05417	2.2
239.03470	2.2
239.07062	3.0
241.04976	1.9
241.08606	2.2
249.05481	7.8
250.05997	3.0
251.07089	25.7
252.07405	1.8
253.05116	2.8
256.03732	3.0
264.04175	1.9
265.04916	2.9
266.05762	1.4
267.06491	6.1
269.04318	1.6
269.08139	8.6
270.08505	1.6
271.06046	6.6
277.05081	22.1
278.05670	5.3
279.06616	22.5
280.07022	3.8
281.04581	2.8
281.07739	1.7
282.05328	8.5
282.08594	2.8
283.05975	1.8
293.04459	6.1
294.05338	6.1
295.06131	16.0
295.09253	2.2
296.06696	5.4
297.04608	2.0
297.07681	46.8
297.11087	3.3
298.07932	3.6
299.09161	3.6
305.04437	10.9
306.05139	2.8
307.06064	3.6
308.06827	1.7
309.07590	3.4
310.08511	4.5
311.09189	5.8
312.06522	2.4
312.10065	33.3
313.06961	1.3
313.10284	3.7
321.04071	6.8
321.07516	2.3
322.04797	8.8
323.05600	22.0
323.09164	2.4
324.05817	2.1
325.07324	1.9
325.10764	6.0
326.11270	1.4
327.12360	53.7
328.12634	4.7
336.06451	1.9
337.07141	15.2
338.07993	24.6
339.08499	2.1
343.08191	2.9
351.08652	9.9
352.09033	1.9
353.05914	2.5
353.10284	49.4
354.10538	5.9
365.12192	1.7
367.04453	3.0
367.08804	1.4
371.11331	31.4
372.11682	4.4
379.08099	4.7
382.07236	1.8
383.15585	2.5
385.44354	1.3
397.09320	31.4
398.09549	3.1
415.10303	5.8
421.41489	1.3
423.07175	23.9
424.07419	3.0
441.08124	1.9
709.24176	2.6
737.26428	9.0
763.24542	2.0
781.25549	20.2
782.25623	3.2
807.23486	37.7
808.23914	9.2
825.24567	80.7
826.24854	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01251	7.5
61.98703	78.1
62.98409	0.9
66.07296	0.7
67.01765	0.9
69.03307	1.1
71.01250	5.8
73.02831	1.5
78.91751	1.8
78.95768	1.6
79.95612	0.8
80.96390	2.6
81.79446	0.7
83.04876	0.7
85.02824	1.7
87.00739	1.8
89.02313	4.9
95.04930	0.7
95.10735	0.7
96.95905	0.9
98.19753	1.3
99.00738	1.1
101.02304	4.8
110.38995	0.7
111.08044	2.0
113.02320	1.9
119.03361	1.5
121.10095	3.5
125.09591	5.0
137.09569	0.8
145.04927	1.0
152.99498	0.9
161.04454	2.1
167.14307	2.2
169.12303	0.8
171.10167	19.4
179.05629	0.7
179.10724	0.8
185.11745	5.7
186.02699	0.6
195.13838	8.8
196.14415	0.9
197.11790	1.7
209.11809	0.7
211.13336	98.6
212.13673	6.7
223.13365	6.8
235.08197	7.1
245.47372	0.8
251.16519	4.2
253.09261	22.7
254.09633	0.8
256.13095	0.9
273.18597	1.1
275.20157	7.6
276.20410	1.7
277.21680	1.2
289.18121	1.1
291.19656	70.2
292.20032	5.6
293.21222	100.0
294.21564	8.8
309.20804	8.0
381.54819	0.8
407.18994	0.8
447.22189	3.4
527.28619	7.2
528.29126	1.5
529.30145	1.0
731.36383	1.0
821.40601	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	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01248	5.4
60.04597	0.4
61.98699	3.3
69.03335	1.5
70.04483	1.4
71.01256	4.2
73.02830	1.3
80.96381	0.8
83.01238	0.5
83.04913	0.9
85.02856	0.9
87.00756	1.0
89.02317	3.5
89.02793	0.5
92.75916	0.4
96.95922	0.4
97.02838	4.0
97.06490	0.6
98.20516	0.4
101.02327	4.9
109.06508	0.7
111.08045	3.4
113.02326	2.5
119.03396	0.6
119.08560	0.5
125.09595	0.6
127.07530	0.5
137.09612	2.0
140.50713	0.4
143.03397	0.7
153.12633	0.4
161.04442	2.2
163.11191	0.5
165.12770	1.2
167.10728	1.1
169.12263	1.5
171.10173	4.9
177.12761	0.6
179.05470	0.9
179.14317	1.0
181.12312	1.1
183.13849	0.9
185.11635	0.5
193.12250	0.9
194.49928	0.4
195.13838	8.5
196.14391	1.2
197.11763	15.6
198.12079	0.7
199.13336	1.4
205.12259	1.0
209.11751	0.8
211.13350	4.0
221.11909	0.4
223.13350	5.9
224.13890	0.5
227.12929	0.9
235.08279	2.3
235.16911	0.9
239.12820	0.6
247.20831	0.6
253.09264	26.3
254.09642	1.3
256.13126	0.8
263.20172	1.2
265.17999	0.6
273.18561	1.3
275.17459	0.3
275.20166	7.3
291.19662	17.0
292.20020	1.6
293.21219	100.0
294.21582	8.9
309.20700	62.2
310.21033	6.1
456.17722	0.4
527.28418	0.5
529.30212	1.0
545.29547	1.1
585.41669	2.2
722.73975	0.5
821.42603	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	823.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93502	0.3
58.00473	0.6
59.01252	10.2
61.98689	0.3
69.03324	1.8
71.01254	8.9
71.33421	0.3
72.99161	0.6
73.02814	2.6
81.03350	0.3
83.01283	1.7
83.04897	1.3
84.02036	0.5
85.02827	8.4
87.00736	2.2
88.90720	0.3
89.02323	5.7
91.03914	0.5
95.01266	0.9
95.04903	0.7
97.02826	1.4
97.06466	3.7
99.00742	0.5
101.02330	7.8
102.62043	0.3
107.76188	0.3
110.03611	0.4
111.04414	0.3
113.02335	4.2
115.03902	0.4
119.03381	1.9
119.08564	0.4
122.80243	0.3
123.08035	0.5
125.02312	0.7
125.09610	1.1
127.07546	0.3
127.11157	1.8
133.04918	1.2
134.16597	0.3
135.09195	0.3
137.09608	1.9
142.02629	0.3
143.03409	0.9
145.04973	1.4
155.10677	1.7
157.04948	0.7
161.04477	3.3
163.11224	0.3
165.12738	1.2
167.10728	0.4
167.14326	1.1
171.10187	20.6
172.10487	0.7
176.62570	0.3
177.12750	0.9
179.05550	1.3
183.13844	3.7
185.11755	1.0
193.12277	1.2
195.05493	0.3
195.13850	0.4
197.11755	1.1
201.11209	0.7
203.10789	0.3
209.11734	1.6
211.13353	18.3
212.13715	0.9
221.11757	2.9
223.13380	0.3
227.12854	0.8
229.14420	13.0
230.14755	0.7
235.08195	15.0
236.08461	0.7
239.12927	1.8
247.20654	0.7
251.26164	0.3
253.09259	30.0
254.09686	1.3
273.18570	0.4
275.20407	0.3
277.21719	100.0
278.22064	9.3
291.19632	6.9
292.20071	0.6
293.21481	0.4
294.21408	0.4
309.20712	17.5
310.21097	1.2
311.22186	0.4
313.97473	0.3
327.21762	90.0
328.22104	8.4
442.02686	0.4
513.30750	0.7
545.29907	2.9
563.30695	4.3
564.30627	0.8
587.43213	2.4
588.43561	0.4
815.22223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.4
59.32983	1.7
61.98697	6.1
67.01784	2.8
69.03344	2.3
71.01244	3.9
71.20083	3.6
78.95784	10.0
80.02541	2.4
81.03339	5.4
83.01260	8.9
83.04916	3.5
85.02853	2.4
87.00769	3.7
90.93032	1.7
95.04938	4.0
96.95862	2.8
97.02843	4.3
97.06471	8.8
109.06467	4.2
119.08582	1.8
123.04448	6.5
123.08072	4.4
125.09634	14.6
137.09627	6.6
141.12820	3.4
142.13080	1.8
147.04448	1.9
149.06041	2.7
152.99524	1.9
163.11218	13.3
165.12785	3.3
167.10657	1.9
171.10188	2.0
179.10619	2.4
181.12256	5.1
185.11765	15.2
191.10754	5.0
191.14339	13.1
197.11874	2.8
207.10176	12.5
209.11777	76.0
210.12106	3.8
211.13278	5.5
217.15781	2.0
223.13269	2.2
225.11292	7.4
239.52863	2.0
242.08073	2.3
245.19092	29.7
253.09201	2.7
263.20251	1.9
271.16983	4.1
277.21741	95.6
278.22055	5.8
281.95355	1.9
289.18112	100.0
290.18436	8.8
293.21109	3.0
307.19153	90.4
308.19540	6.7
472.44055	2.1
502.29404	39.1
503.29712	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	825.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
60.99173	2.3
67.01762	6.7
69.03331	2.4
70.81029	1.2
71.01271	6.8
72.59375	1.2
73.02827	1.3
81.03329	1.8
85.02831	5.8
87.00761	5.6
89.02341	1.8
93.03332	39.9
94.03629	1.2
99.00773	2.8
101.02335	1.7
109.02857	2.4
111.00805	1.3
111.04408	8.3
117.03410	2.4
119.04907	18.7
121.02836	1.3
125.02403	1.6
134.03630	18.5
137.02353	4.7
145.02850	10.7
149.05943	2.2
155.03427	3.3
159.04419	5.7
161.05954	2.1
163.03915	33.3
164.04211	1.5
173.04472	77.2
174.04848	4.6
191.05539	100.0
191.06923	4.7
192.05894	2.7
193.04994	16.2
204.56557	1.4
205.05168	1.9
235.06044	9.1
277.04990	1.6
295.08279	20.4
296.08456	2.2
297.07553	1.7
297.11304	1.5
308.06854	1.9
323.09338	1.7
327.12247	1.9
337.09378	11.2
353.10138	1.5
367.10333	72.3
368.10724	6.5
397.11343	17.1
404.43088	1.2
427.24060	1.4
443.11722	1.5
457.13290	2.8
708.34198	1.3
807.23779	1.9
825.24396	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	825.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.5
71.01238	7.7
71.53498	2.4
72.23602	1.7
73.02803	2.4
83.01252	2.9
84.80680	2.0
85.02815	5.2
87.00732	5.3
89.24417	1.8
96.95892	25.7
97.11401	1.6
98.95461	10.7
98.96276	2.1
99.00764	3.7
99.01915	2.2
101.02310	2.9
105.41186	2.2
109.02829	7.8
113.02351	2.4
121.02847	13.7
123.00748	7.4
124.01528	4.2
125.02306	4.7
131.04903	2.3
137.02361	13.6
138.03180	11.1
139.03868	1.8
143.04941	5.5
145.02806	2.6
146.03647	5.9
147.04427	9.2
149.02354	2.2
151.00134	1.8
152.04713	4.6
153.05418	7.0
154.77118	1.9
159.04434	100.0
160.05228	15.1
161.02266	5.5
161.05998	26.7
163.03935	5.2
172.05127	2.9
173.02321	7.0
173.04596	3.3
173.06007	47.2
174.03139	1.8
174.06314	4.3
175.03893	3.5
187.03923	7.3
191.03517	2.2
198.03117	1.9
199.03896	4.1
203.03419	6.2
211.03862	2.2
217.01279	3.0
217.05125	2.5
223.07643	4.6
225.09131	2.6
229.01407	3.1
233.05968	2.3
234.05121	2.3
239.07111	2.2
240.04088	2.2
243.02873	1.9
249.05510	6.7
250.06046	2.7
251.07100	26.0
251.11139	1.9
252.07362	2.1
256.03592	2.8
261.05780	1.8
264.04367	3.2
265.05048	2.1
267.06668	5.0
268.07315	3.4
269.04648	2.6
269.08124	6.1
271.06097	6.9
277.05066	23.2
278.05667	6.9
279.06613	22.0
280.07010	5.0
281.08054	2.1
282.05386	8.8
283.05939	3.3
284.03210	2.2
293.04504	5.9
294.05194	6.0
295.06189	13.6
296.06750	3.6
297.04126	2.6
297.07666	54.3
298.08057	6.2
299.09180	2.9
305.04694	13.2
306.05014	3.8
307.06128	3.4
309.07651	2.8
309.11194	2.2
310.08401	7.6
311.09271	7.4
312.10043	43.2
313.10324	3.9
321.04123	4.3
322.04755	9.4
322.08261	2.9
323.05582	26.0
323.09088	2.8
325.07382	3.1
325.10767	9.5
327.12372	57.9
328.12741	6.3
336.06427	2.4
337.07001	17.3
338.07932	36.0
343.08099	4.7
351.08691	8.6
352.09277	2.3
353.10315	66.7
354.10663	6.0
371.11395	32.2
372.11713	3.4
379.08224	7.2
383.15668	2.1
397.04651	2.9
397.09320	33.7
398.09882	4.6
415.10202	7.5
423.07251	22.4
441.08350	3.3
737.27313	11.5
738.26959	4.0
745.42517	2.0
763.24622	2.2
781.25555	21.5
782.25464	5.5
807.23547	40.7
808.23840	9.1
825.24561	88.4
826.24902	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
57.65546	0.4
58.00464	0.8
58.80310	0.4
59.01249	5.6
61.24837	0.4
61.98705	5.7
69.03318	0.7
70.21664	0.4
71.00956	0.4
71.01264	5.2
73.02811	0.9
75.00247	0.4
76.46591	0.4
83.01251	0.4
85.02809	1.2
87.00742	1.0
87.23353	0.4
89.02319	3.6
93.58916	0.4
98.19684	0.8
101.02336	4.5
102.73165	0.4
109.06467	0.7
111.08046	8.2
113.02346	2.6
119.03355	0.7
127.07523	0.8
143.03389	1.0
145.04962	0.5
153.12724	0.5
161.04433	2.5
167.10666	0.7
169.12267	3.5
171.10156	1.1
179.05608	1.0
179.10614	0.4
179.14360	1.3
181.12215	1.2
183.13925	1.1
195.13860	8.2
196.14333	0.9
197.11769	38.9
198.12073	2.4
199.13310	2.3
205.12172	0.5
205.15970	0.7
211.13367	5.4
223.13354	6.8
225.15019	0.6
227.12865	1.3
228.13641	0.7
229.64473	0.5
235.08281	2.1
253.09271	24.7
254.09615	1.2
256.13223	0.9
263.20041	1.4
265.18134	1.0
265.21359	0.5
275.20178	6.5
276.20514	0.6
277.21829	0.6
291.19662	12.1
292.19998	1.0
293.21231	100.0
294.21555	9.7
299.02130	0.4
309.20715	51.6
310.21036	5.1
429.27222	0.6
433.20947	0.6
472.40924	0.4
492.21722	0.5
529.30341	1.0
531.26587	0.4
545.29694	1.2
546.29907	0.5
585.41711	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
58.00453	0.8
59.01250	6.0
61.98700	2.1
69.03316	0.7
71.01248	5.1
71.02175	0.4
71.02523	0.5
71.04885	0.4
73.02808	1.1
80.96380	0.4
82.95970	0.3
83.01247	0.9
83.04866	0.7
85.02831	1.7
87.00740	1.1
89.02325	3.7
95.01223	0.4
97.06440	0.5
101.02330	5.4
109.06461	0.6
111.08039	6.8
111.28178	0.3
112.08298	0.4
112.93168	0.3
113.02305	3.0
119.03359	1.1
127.07510	0.6
141.09138	0.6
143.03397	0.6
151.11162	0.7
153.12776	0.6
161.04460	3.0
167.10693	0.6
169.12256	2.8
177.12737	0.3
179.05606	0.7
179.10597	0.4
179.14305	1.0
181.12216	1.2
183.13847	0.4
193.12166	0.4
195.13841	8.9
196.14444	0.9
197.11768	32.9
198.12131	1.7
199.13347	1.9
205.12225	1.0
211.13335	6.0
211.15189	0.6
222.81337	0.3
223.13359	6.6
227.12799	0.5
228.13611	0.7
231.21152	0.5
235.08241	2.6
235.10300	0.5
253.09271	27.4
254.09654	1.5
256.13141	1.2
263.20108	2.3
265.18283	0.7
265.21634	0.6
273.18594	0.9
275.20163	5.0
276.20587	0.7
291.19666	11.1
292.20020	1.2
293.21228	100.0
294.21548	10.2
309.20718	51.7
310.21039	4.5
366.29477	0.4
529.30078	1.5
545.29620	0.9
585.41638	2.2
586.42303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
58.00461	0.3
59.01253	7.4
60.88009	0.3
61.98702	100.0
62.98404	0.8
63.99129	0.8
67.63033	0.3
69.03331	1.0
70.44542	0.9
71.01256	6.3
71.01618	0.5
71.04950	0.3
72.99202	0.4
73.02823	1.3
79.89700	0.3
80.02542	0.5
80.96402	0.3
81.03334	1.2
83.01273	1.4
83.04904	1.0
85.02818	1.5
85.06487	0.3
87.00764	1.0
89.02312	3.7
95.01276	0.6
95.04910	1.1
97.02840	1.8
97.06467	2.6
99.00768	0.6
101.02319	5.2
108.02122	0.3
109.06458	0.7
111.04420	0.4
111.08060	0.9
113.02332	2.3
119.03398	1.2
119.08516	0.4
121.06495	0.8
121.10143	0.5
123.04397	1.7
123.08073	1.0
125.06007	0.5
125.09604	3.5
131.04979	0.3
135.08087	1.0
137.06001	0.4
137.09618	1.9
137.10609	0.3
141.12744	0.6
143.03416	0.8
147.08145	0.3
149.05962	0.4
151.11153	0.4
161.04472	2.4
161.09621	0.6
163.07547	0.4
163.11197	4.3
165.09134	0.3
165.12808	1.2
167.10664	0.5
171.10188	1.3
174.10503	0.3
176.52750	0.3
177.12776	0.8
179.05516	0.6
179.10722	0.4
179.14372	1.2
181.12306	1.2
185.11777	5.0
189.12830	0.3
191.10675	0.8
191.14369	5.2
192.14777	0.4
195.13844	7.7
196.14252	0.9
197.11723	0.5
205.12274	1.2
205.15973	0.3
207.10144	2.1
209.11769	11.3
210.12180	0.7
211.13345	1.7
217.15958	0.7
223.13351	6.1
224.13834	0.5
225.11339	1.9
226.12091	0.4
228.13576	0.9
231.21178	0.5
235.08179	2.6
237.11310	5.0
239.12910	0.4
245.19084	11.0
246.19380	1.2
247.16951	0.3
253.09254	20.8
254.09622	0.7
256.13110	1.5
263.20111	3.0
265.21857	0.4
271.17010	1.7
275.20157	6.7
276.20316	0.7
277.21732	0.9
281.21243	0.7
287.16620	0.4
289.18091	52.6
290.18417	5.1
291.19785	1.1
293.21216	96.2
294.18271	0.5
294.21570	9.2
305.17633	0.4
307.19141	50.8
308.19482	5.2
309.20856	0.9
424.20929	0.3
445.20667	0.7
492.22266	0.3
525.27087	1.1
529.29803	0.3
543.28186	1.6
565.38336	0.4
583.40179	0.4
819.48322	1.0
820.49554	0.6
850.12268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
57.12680	0.2
59.01260	0.6
61.98704	100.0
71.01259	0.5
72.48654	0.2
79.97676	0.2
80.96379	1.5
87.00782	0.3
89.02325	0.5
94.97968	0.2
101.02317	0.3
171.10167	0.3
185.11763	0.3
195.13850	0.5
197.11809	0.6
211.13345	3.0
223.13470	0.4
235.08353	0.3
253.09273	1.6
275.20093	0.6
288.54050	0.2
289.18085	0.4
291.19678	2.3
293.21231	7.2
309.20700	1.4
310.01041	0.2
655.48138	0.2
668.56830	0.3
820.41626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.3
61.98703	100.0
62.98400	0.2
63.99111	0.2
71.01245	0.5
72.46779	0.2
74.44437	0.2
77.82001	0.2
79.95606	0.3
80.96387	0.5
87.00754	0.6
96.95921	0.4
113.02316	0.2
137.02339	0.2
163.03981	0.3
191.75417	0.2
196.19006	0.2
209.11787	0.4
211.13368	0.4
225.00867	0.3
381.64865	0.2
466.73575	0.2
482.88815	0.2
486.67264	0.2
488.82907	0.2
499.25433	0.2
565.13300	0.2
705.09833	0.2
820.39166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.9
62.19527	1.4
71.01245	8.0
71.53259	2.5
73.02816	3.8
85.02818	6.5
87.00745	5.8
89.02328	3.0
93.03336	11.2
95.01250	1.6
99.00746	9.6
101.02308	2.6
108.02066	2.5
109.02827	6.6
111.04404	2.2
113.02301	2.2
117.03256	1.5
119.04884	6.0
121.02835	15.2
123.00770	8.4
123.04409	6.6
124.01541	4.3
125.02324	5.4
130.99771	1.9
131.04918	4.3
133.02792	2.2
135.04364	3.1
137.02336	12.9
138.03133	14.1
139.03851	2.7
143.04898	2.5
145.02814	2.3
146.03619	6.5
147.04422	12.8
149.02359	3.2
149.05916	2.8
150.03142	3.8
151.03888	4.8
152.01088	3.4
152.04649	3.9
153.01785	2.0
153.05466	6.4
159.04425	100.0
160.05194	17.0
161.02361	3.1
161.04732	2.8
161.05994	29.8
163.03876	7.6
163.70306	1.7
164.04506	1.8
165.01857	1.5
165.05472	3.9
167.03384	2.7
171.04401	2.1
172.05147	2.1
173.02370	3.9
173.04457	11.1
173.05981	44.1
174.06274	3.4
175.03922	9.0
177.01804	1.6
178.60728	1.5
187.03949	10.2
191.03835	2.7
191.05536	16.8
193.05031	4.2
199.03981	4.4
200.04541	2.5
203.03372	6.9
204.27202	1.5
211.03952	2.0
211.07532	6.8
213.09192	3.8
217.01274	4.8
219.02747	2.3
221.06093	1.8
223.07603	4.3
225.09164	2.7
229.01286	3.9
233.06142	1.9
235.07640	2.2
237.05559	2.7
238.06215	2.2
239.07133	4.5
241.08554	2.4
245.72806	1.6
249.05489	7.6
249.07779	3.8
251.07108	26.0
252.07759	1.8
253.08723	2.0
254.05795	1.8
256.03745	4.2
261.05466	1.7
265.05072	2.8
266.05817	3.3
267.06589	6.1
269.04584	2.3
269.08179	6.6
271.06091	7.2
273.07578	3.1
277.05045	22.8
278.05655	5.1
279.06595	20.9
280.07074	2.2
281.04507	4.8
282.05377	9.8
283.06018	2.4
286.08536	3.2
289.41785	1.9
293.04663	4.3
294.05243	6.4
295.06094	14.6
296.06863	7.1
297.07672	51.8
298.08029	6.6
299.02121	1.8
299.09070	2.9
305.04514	10.9
306.04971	3.1
307.06110	2.1
309.07654	2.3
310.08401	5.0
311.09265	6.3
312.06503	2.3
312.10052	42.4
313.10455	3.4
313.13992	2.1
321.04092	3.7
322.04800	12.2
323.05597	31.4
323.09344	2.9
325.10669	9.2
327.08847	4.5
327.12354	58.3
328.12665	5.0
336.06277	3.2
337.06894	17.3
338.07962	31.2
339.08453	2.9
343.08154	6.5
351.08813	12.3
353.05960	2.9
353.10294	59.3
354.10696	9.6
371.11282	29.8
372.11581	2.2
379.08179	5.3
379.15909	2.1
382.06537	2.6
397.09259	29.3
398.09598	2.6
415.10239	7.3
421.18674	1.7
423.07150	19.8
424.07568	3.4
437.14145	1.7
441.08276	3.1
493.51392	1.9
569.22772	2.0
614.81396	1.7
670.78973	1.9
705.23529	2.2
733.26904	12.8
734.27618	2.2
759.25439	2.0
777.26215	19.0
778.26422	5.8
803.24310	29.4
804.25006	8.4
821.24927	74.7
822.25330	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	819.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01251	6.2
61.98702	10.7
63.98805	0.5
69.03336	0.8
71.01253	7.1
72.99178	0.6
73.02822	0.8
74.57002	0.6
78.98469	0.6
79.95612	1.4
80.96394	7.0
81.03330	0.8
83.01253	1.0
83.04887	1.2
85.02821	1.8
87.00765	1.7
88.90586	0.5
89.02325	3.7
89.78617	0.5
94.97971	1.6
95.04919	1.1
97.02819	1.3
97.06479	2.3
101.02324	4.8
109.06483	0.7
111.08008	0.8
113.02336	2.6
113.09612	0.6
119.03395	1.0
119.08533	0.7
123.04398	1.4
123.08078	0.8
125.09614	2.1
134.97412	0.6
135.08089	1.1
137.09598	1.6
148.99071	0.6
161.04456	1.8
163.11203	3.8
164.98479	0.9
165.12775	1.1
171.10181	1.5
179.14262	0.7
181.12279	0.8
185.11792	4.0
189.12440	0.6
191.14366	5.3
195.13866	7.2
196.14445	0.7
197.11769	2.3
207.10216	1.7
209.11783	7.7
211.13327	1.8
217.15938	0.8
223.13318	5.8
225.00655	1.3
225.11272	2.0
228.13499	1.0
235.08205	2.2
237.11276	2.6
245.19093	8.8
253.09291	19.4
256.13324	1.3
263.20206	1.4
271.17035	1.2
275.20163	6.8
277.21729	2.1
289.18112	51.0
290.18378	4.7
291.19699	8.7
292.20145	0.9
293.21234	100.0
294.21533	8.1
305.17651	0.7
307.19162	44.0
308.19531	3.6
309.20816	4.3
310.21463	0.6
342.96854	0.5
445.20740	0.7
525.27258	1.1
527.29236	0.7
543.28296	1.0
644.05652	0.7
819.41461	5.9
820.42871	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	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01245	7.9
61.89163	0.9
61.98696	3.8
71.01257	8.2
71.45193	1.6
72.99189	1.0
73.02817	1.9
83.01309	1.3
83.04902	1.9
85.02811	2.4
87.00744	1.7
87.33029	1.1
89.02312	3.4
94.97974	1.1
97.06467	6.2
98.20473	1.1
101.02307	4.8
109.02851	1.3
111.08057	2.0
113.02316	3.4
116.22775	1.0
119.03342	1.5
129.23923	1.1
134.03624	3.1
145.05060	1.1
151.11211	4.4
155.10629	1.7
161.04477	2.4
163.11133	2.4
165.12747	7.6
169.12340	1.8
171.10193	3.4
179.05531	1.2
179.10757	2.6
179.14369	1.6
181.12277	5.2
191.10754	3.0
191.14252	1.7
193.05020	4.3
195.13840	9.0
197.11781	1.4
199.36296	1.1
205.12196	2.2
209.11775	19.6
211.13377	3.0
223.13411	6.4
227.12854	8.1
235.08179	4.7
245.19086	5.6
249.78514	1.1
253.09308	17.0
256.13052	1.4
263.20151	11.4
275.20096	5.9
277.18829	2.0
277.21710	15.0
287.16486	2.9
289.18140	12.3
290.18277	1.3
293.21225	100.0
294.21539	7.1
305.17599	3.3
307.19162	39.5
308.19482	4.6
323.18579	2.3
445.20700	7.7
446.20999	1.2
462.73929	1.2
543.28107	7.4
721.41754	3.3
736.40100	1.6
750.36768	1.1
819.49384	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01255	5.3
61.98703	19.7
69.03332	0.5
71.01254	4.3
71.04896	1.9
71.53166	0.3
72.99173	0.4
73.02816	0.7
75.00746	0.5
78.95776	0.4
80.02551	0.7
80.96404	0.4
81.03321	1.0
83.01263	0.6
83.04892	0.8
85.02822	1.2
85.06458	0.2
87.00744	0.8
89.02317	3.0
93.03381	0.2
95.01257	0.6
95.04910	1.2
96.14929	0.2
97.02799	0.3
97.06440	0.3
98.03606	0.6
99.00751	0.3
101.01700	0.3
101.02323	3.6
106.04131	0.5
107.04922	0.3
109.02843	0.3
109.06480	7.7
110.06790	0.3
111.04399	3.1
111.08025	1.1
112.05207	0.2
113.02344	2.0
113.09581	0.2
119.03384	0.8
121.06462	0.2
121.10116	0.4
123.08062	1.3
125.02338	0.4
127.07530	1.3
131.03458	0.3
135.08047	0.5
135.11621	0.2
135.98238	0.2
137.06026	0.3
137.09610	0.8
141.09108	0.3
143.03421	0.4
143.10666	1.0
145.04970	0.3
145.06477	1.3
149.06036	0.2
149.09624	0.8
151.11177	0.6
155.10739	0.2
161.04459	2.0
161.09523	0.2
163.11140	0.4
167.10660	1.9
169.12273	0.3
171.10201	1.4
175.11269	0.2
177.08998	0.3
177.12762	1.0
179.05484	0.6
179.10736	0.9
179.14369	0.8
181.12242	0.9
191.14336	0.4
193.12357	0.2
195.13844	8.6
196.14323	0.6
205.12254	0.6
205.15840	0.2
209.11716	0.3
211.13330	0.6
215.14406	0.4
217.16022	0.3
223.13356	4.3
224.13695	0.3
225.14838	0.5
227.17844	0.2
228.13632	0.4
229.15929	0.3
231.21199	0.2
233.15332	0.3
235.08174	2.6
235.13344	0.6
245.19080	4.5
246.19646	0.3
249.14963	0.3
251.16548	0.5
253.09267	13.8
254.09669	0.7
256.13110	0.8
261.18527	0.3
265.21671	0.3
271.17014	1.0
273.15115	0.4
275.20151	5.7
276.20474	0.4
277.21722	0.2
287.16537	1.7
288.17105	0.4
289.18094	100.0
290.18423	10.3
291.19592	0.5
293.21219	70.6
294.21558	6.6
294.24216	0.1
307.19138	4.2
308.19510	0.5
460.54465	0.2
500.90781	0.2
525.27057	3.6
526.27466	0.6
529.30060	0.6
551.91791	0.2
565.39099	0.4
801.48267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35765	0.2
59.01244	0.5
61.98703	100.0
63.96127	0.4
71.01259	0.7
71.53068	0.3
73.02819	0.2
78.98479	0.5
79.95616	1.7
80.96392	7.4
85.02826	0.3
87.00752	0.8
88.98686	0.3
89.22247	0.2
94.97961	1.4
96.95835	0.3
101.02315	0.3
106.98018	0.2
112.98528	0.2
113.45509	0.2
116.92725	0.4
122.97511	0.4
134.97478	0.4
135.04425	0.2
148.51984	0.2
148.99101	0.3
152.98544	0.3
164.98598	0.5
180.11758	0.2
190.21642	0.2
207.10313	0.2
209.11880	0.7
211.13391	0.5
225.00758	0.4
309.20737	0.3
332.21185	0.2
355.08331	0.3
612.40936	0.2
669.23462	0.3
815.51794	0.2
816.50708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01165	4.6
59.01495	1.1
61.98616	14.6
61.98975	2.3
69.03274	0.7
69.96776	1.1
69.97171	1.1
71.01167	4.4
71.04800	8.7
73.02762	0.9
75.00646	0.6
78.95711	1.0
80.96350	0.9
81.03251	1.0
85.02744	1.4
87.00652	2.5
89.02221	3.3
93.03238	1.1
95.04901	6.1
97.06380	0.9
98.19826	0.8
101.02340	5.1
106.04089	0.8
107.04836	1.0
108.09533	0.5
109.06477	5.6
113.02213	2.6
119.03271	0.9
121.06373	1.9
122.03506	2.6
123.07934	0.8
130.65695	0.6
135.07986	1.2
147.04332	1.0
147.07976	1.7
149.05856	1.0
152.99335	0.6
161.04404	1.7
161.05905	1.0
161.09579	1.0
165.09105	4.7
171.10112	1.2
175.57719	0.7
179.05338	1.1
179.14337	1.1
187.79901	0.6
189.12762	5.1
195.13805	7.7
205.15829	2.3
223.13344	5.3
224.13545	0.8
231.13896	1.2
233.11789	3.2
235.08156	2.9
243.17528	4.4
244.17928	0.9
249.14934	4.6
253.09251	18.3
253.11891	1.0
254.09561	1.1
256.13116	1.3
261.18665	0.8
269.15521	1.1
275.20129	5.0
287.16528	42.6
288.16803	3.2
289.18027	0.8
293.21222	100.0
294.21555	9.1
305.17593	87.2
306.17950	6.4
333.99167	0.7
345.07785	0.7
349.05316	0.6
358.33255	0.6
471.24933	0.6
523.25861	1.9
541.26910	2.7
696.60095	0.8
817.49622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98705	100.0
62.98406	0.2
70.10275	0.4
71.01285	0.1
80.96383	0.2
116.35109	0.1
197.11771	0.1
199.76086	0.1
209.11827	0.2
210.12119	0.2
227.03430	0.1
253.09332	0.2
255.03032	0.2
256.03217	0.1
263.45532	0.1
277.21741	0.1
284.03329	0.2
285.03873	0.2
289.18362	0.2
291.19769	0.5
293.21240	0.6
307.19244	0.1
309.20776	0.2
797.03375	0.1
818.37030	0.2
819.43030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01247	1.0
69.03320	1.0
70.39323	0.6
70.39681	0.4
71.01248	2.4
71.76104	0.2
72.99181	0.9
73.02805	0.5
81.03336	0.8
83.01272	0.4
85.02814	2.7
87.00770	0.6
93.03349	1.4
95.01265	1.8
97.02841	0.8
99.00768	1.1
101.02316	0.7
105.03341	0.4
107.01289	0.9
108.02055	68.4
109.02890	10.7
110.03167	0.5
111.00751	0.5
113.02326	1.2
117.03391	0.4
119.04933	1.0
121.02857	4.2
122.03641	2.3
123.00780	1.1
123.04435	1.9
125.02343	0.8
132.02086	0.5
133.02861	3.7
134.03635	12.7
135.04443	5.8
136.01526	0.3
137.02325	2.3
139.03947	0.5
145.02829	0.4
147.04431	0.6
148.01579	0.3
149.02359	5.2
149.05989	2.3
150.03127	11.1
151.00290	2.1
151.03925	3.2
152.01059	100.0
153.01808	6.0
160.01587	1.2
161.02383	2.0
161.05870	0.3
163.03915	4.1
164.04616	0.7
165.01823	0.7
165.05484	8.1
166.02617	0.4
167.03439	0.8
173.04489	0.5
175.03937	2.0
177.01872	2.2
178.02669	3.5
179.03429	4.2
180.04140	0.9
181.04964	0.9
193.01364	0.4
193.04994	7.3
193.06767	0.4
194.05249	0.5
195.06584	1.4
207.02953	0.8
223.06068	0.7
227.10760	0.3
233.04390	0.5
238.06424	0.4
239.07166	0.9
250.06390	0.4
267.06616	0.8
282.08987	1.1
297.06177	0.6
315.07288	1.6
327.08606	0.5
333.09705	0.4
341.10208	0.9
344.09015	0.3
345.10916	0.3
351.10956	0.6
359.11337	1.1
375.10873	0.4
407.09393	0.3
429.10349	11.4
430.10757	0.7
443.11569	0.4
447.11417	1.5
463.14035	2.0
525.20300	0.3
621.14435	0.5
622.15454	3.8
623.15833	2.5
640.92078	0.3
801.22406	0.5
819.23529	59.3
820.23804	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	819.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.5
59.01245	1.3
69.03313	0.8
69.18724	2.3
69.19151	2.1
69.61736	0.4
71.01263	2.1
72.99181	1.7
73.02799	0.7
81.03339	0.6
85.02827	3.5
87.00751	0.8
89.02302	0.5
89.03851	0.5
93.03345	1.3
95.01273	1.5
96.95916	0.5
97.02805	0.6
99.00776	0.5
101.02323	1.0
107.01292	0.6
107.04919	0.6
108.02053	58.9
109.02886	10.6
110.03138	0.6
110.91319	0.4
113.02321	1.2
119.04911	0.7
121.02822	2.3
122.03651	2.8
123.00751	1.7
123.04395	1.7
125.02334	1.3
133.02849	3.5
134.03636	13.0
135.04430	4.7
136.01686	0.4
136.85840	0.4
137.02377	2.4
139.03941	0.8
147.04416	0.8
149.02356	5.1
149.05981	2.3
150.03136	15.8
151.00269	2.4
151.03914	2.9
152.01057	100.0
153.01848	7.4
160.01552	1.3
161.02356	1.6
163.03934	3.8
164.04651	0.6
165.01814	1.1
165.05479	10.5
166.02600	0.8
166.05826	0.5
167.03363	0.7
173.04506	0.8
175.03960	2.1
177.01860	2.5
178.02646	4.5
179.03424	3.7
180.04222	1.2
181.04948	1.0
182.62842	0.4
191.03185	0.5
191.05539	0.7
193.04980	9.2
195.06604	1.7
207.02966	1.0
233.04631	0.4
255.06674	0.5
297.06165	0.7
315.07285	2.5
338.57675	0.4
341.10464	0.5
359.11252	1.3
373.80539	0.5
429.10364	10.6
430.10364	0.4
447.11447	2.1
463.13968	2.8
622.15350	3.2
623.15820	2.4
819.23492	51.6
820.23816	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	814.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.2
61.08421	0.1
61.93372	0.1
61.98704	100.0
69.02448	0.1
69.35256	0.8
70.08743	0.1
71.01272	0.2
75.00742	0.2
80.01055	0.1
80.96391	0.3
87.00758	0.2
88.45522	0.1
124.34180	0.1
143.17941	0.1
147.04434	0.5
154.97610	0.1
169.03081	0.1
181.93324	0.1
196.89708	0.1
202.46106	0.1
209.11774	0.1
211.13330	0.2
223.13234	0.3
224.13678	0.2
276.46866	0.1
356.86151	0.1
751.45538	0.2
814.41559	0.2
815.39972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.1
71.01239	6.8
71.53333	5.0
85.02829	5.4
87.00747	20.4
93.03348	7.5
121.02837	4.6
125.02297	5.7
143.04901	4.3
145.02827	5.0
147.04460	8.1
159.04416	23.8
161.02318	6.8
161.05939	9.9
163.03908	6.2
171.33859	4.6
173.04442	9.7
173.05933	9.1
175.03970	9.4
182.36713	4.1
187.03897	4.4
191.05507	15.2
193.04968	5.9
225.05524	15.5
253.05159	11.4
255.02734	5.5
264.03830	4.9
269.04648	6.9
271.06061	19.7
281.04471	6.7
286.08487	13.6
297.04141	5.6
297.07751	7.0
300.02728	7.3
301.10840	20.8
312.06418	7.2
325.07153	13.6
327.08673	26.0
327.12396	12.3
329.10571	8.9
340.06055	5.0
341.05219	6.2
353.10443	10.7
367.10788	7.3
371.11292	8.6
397.09122	14.5
437.81906	4.8
459.09119	12.8
658.63367	6.5
679.65771	4.8
695.67206	5.8
725.19116	10.3
755.19739	7.0
815.22491	100.0
816.22675	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
61.98689	2.5
70.44359	3.2
71.01255	4.2
73.02818	2.2
78.95778	20.7
79.95602	1.7
80.02550	1.1
80.96399	4.5
81.03339	1.1
83.04920	4.8
85.02834	1.0
87.00735	2.3
88.98658	2.0
89.02306	1.8
92.72688	0.9
94.97944	1.5
96.96835	4.1
101.02320	3.1
106.02721	0.8
109.06451	1.1
113.02324	1.2
125.05980	1.2
149.06013	1.0
152.99489	4.1
163.11180	3.5
165.12776	1.1
171.10184	12.2
172.10487	1.1
173.99698	0.9
179.74390	1.1
201.11186	1.3
202.77112	0.9
207.10153	2.1
209.11777	100.0
210.12125	6.5
211.13333	1.3
217.94875	0.9
222.51950	0.9
225.11212	2.3
227.12868	12.5
235.08168	3.6
241.01164	10.8
253.09219	7.7
255.23274	11.4
277.21716	73.5
278.22079	7.2
352.44128	0.9
391.22391	1.4
425.87137	1.2
445.21063	2.4
570.14880	0.9
725.38635	9.2
726.39282	1.7
727.92480	1.3
797.40906	12.2
798.41235	3.2
815.42255	3.6
815.50006	1.4
816.41833	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	815.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.1
63.72392	0.5
63.96109	2.0
69.03325	0.5
69.26409	2.2
69.26836	2.6
71.01254	9.9
71.01626	1.0
73.02807	2.5
74.91219	0.5
78.95773	1.7
78.98461	8.8
79.95604	16.2
80.96391	100.0
81.03364	0.7
85.02826	4.5
87.00754	3.8
94.97962	23.7
96.95887	1.2
97.02841	2.4
98.20542	1.3
99.00733	0.6
101.02312	3.5
106.97968	5.2
113.02383	0.9
122.97484	4.7
125.02332	3.7
127.03885	0.7
134.97485	7.6
136.09044	0.5
136.99030	1.9
148.99059	10.5
152.98531	8.7
152.99641	0.8
164.98549	17.9
167.00024	0.6
188.98590	0.7
206.99615	4.0
223.16016	0.6
225.00694	26.2
226.00989	0.8
255.23160	2.6
277.21710	1.8
283.04678	0.8
372.11658	0.7
483.75525	0.6
537.27502	2.1
542.24451	0.6
559.25604	2.0
642.66461	0.7
815.49872	81.3
816.50067	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	813.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01249	1.8
61.98684	0.6
69.38176	1.3
71.01260	0.6
73.02805	0.3
78.95760	0.3
79.94180	0.2
85.02815	0.3
87.00755	2.3
89.02295	0.4
89.03835	0.7
93.03347	0.3
99.00717	0.5
113.02364	0.3
116.50130	0.2
117.03335	1.2
121.02914	0.2
130.99725	0.3
132.02087	1.0
134.03635	17.5
135.04013	0.7
137.02333	1.1
139.03926	0.4
149.05975	1.3
160.01559	2.7
173.05954	0.3
175.03923	2.1
178.02638	2.1
189.09065	0.2
191.05487	0.6
193.04991	16.3
194.05289	1.0
210.03139	0.5
211.13278	0.2
213.05496	0.5
215.07005	0.3
225.05579	0.7
226.02737	1.1
227.03389	0.4
229.01323	0.3
230.02115	0.4
241.04800	0.5
241.10855	0.3
241.91188	0.2
242.02155	1.2
243.02808	0.5
243.10010	0.2
254.02164	1.5
255.02725	0.3
257.04636	0.3
269.04568	0.6
270.01685	4.0
271.02057	0.5
281.00894	0.4
282.01669	0.3
283.02414	0.9
284.03171	0.6
285.04056	8.1
286.04294	0.8
295.02591	0.3
297.04047	1.8
298.01147	2.4
299.02206	0.3
299.05551	1.3
311.05576	0.2
312.02649	0.5
313.03534	38.4
314.03870	4.4
327.05078	3.3
328.05872	18.5
329.06189	1.8
342.07391	0.7
343.08203	100.0
344.08551	10.4
456.13745	0.3
519.13312	0.3
523.11963	0.2
619.16809	0.6
637.17615	1.6
765.91235	0.2
769.35907	0.7
812.36292	0.2
813.37555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01249	1.8
61.98684	0.6
69.38176	1.3
71.01260	0.6
73.02805	0.3
78.95760	0.3
79.94180	0.2
85.02815	0.3
87.00755	2.3
89.02295	0.4
89.03835	0.7
93.03347	0.3
99.00717	0.5
113.02364	0.3
116.50130	0.2
117.03335	1.2
121.02914	0.2
130.99725	0.3
132.02087	1.0
134.03635	17.5
135.04013	0.7
137.02333	1.1
139.03926	0.4
149.05975	1.3
160.01559	2.7
173.05954	0.3
175.03923	2.1
178.02638	2.1
189.09065	0.2
191.05487	0.6
193.04991	16.3
194.05289	1.0
210.03139	0.5
211.13278	0.2
213.05496	0.5
215.07005	0.3
225.05579	0.7
226.02737	1.1
227.03389	0.4
229.01323	0.3
230.02115	0.4
241.04800	0.5
241.10855	0.3
241.91188	0.2
242.02155	1.2
243.02808	0.5
243.10010	0.2
254.02164	1.5
255.02725	0.3
257.04636	0.3
269.04568	0.6
270.01685	4.0
271.02057	0.5
281.00894	0.4
282.01669	0.3
283.02414	0.9
284.03171	0.6
285.04056	8.1
286.04294	0.8
295.02591	0.3
297.04047	1.8
298.01147	2.4
299.02206	0.3
299.05551	1.3
311.05576	0.2
312.02649	0.5
313.03534	38.4
314.03870	4.4
327.05078	3.3
328.05872	18.5
329.06189	1.8
342.07391	0.7
343.08203	100.0
344.08551	10.4
456.13745	0.3
519.13312	0.3
523.11963	0.2
619.16809	0.6
637.17615	1.6
765.91235	0.2
769.35907	0.7
812.36292	0.2
813.37555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.8
59.01254	95.5
60.99186	1.0
61.98698	2.3
65.14068	1.0
66.03815	0.9
69.59372	1.2
70.86543	0.9
71.01252	9.8
71.04875	1.0
72.99192	1.9
73.02834	6.1
75.00745	2.3
79.05415	0.8
83.04915	3.3
85.02837	4.1
87.00753	25.9
87.01279	1.8
88.98642	2.2
89.02306	6.6
93.03338	3.3
96.95885	1.5
99.00767	17.4
99.04396	3.1
101.02335	4.6
108.02077	1.2
109.02870	2.3
111.00820	1.2
113.02328	6.5
117.03320	1.3
119.04973	2.2
119.08563	3.9
121.02845	3.1
121.06480	0.9
123.04383	2.0
125.02357	1.5
130.99782	3.2
132.02014	1.2
133.02818	1.0
133.10069	1.5
134.03636	10.4
135.04469	1.3
135.08061	3.4
135.11700	1.8
137.02376	2.4
137.09618	16.0
138.09969	1.3
145.73079	1.0
146.03618	2.0
147.04428	3.0
149.02376	1.5
149.04491	3.0
149.05998	3.1
150.03140	1.0
153.01909	1.1
153.09201	1.2
159.04478	4.6
160.01595	7.5
161.02325	3.0
161.04602	1.5
161.09648	5.5
163.03877	2.1
163.07596	2.8
164.04741	2.0
173.04466	4.1
173.05988	3.9
175.03902	9.6
175.07568	2.5
177.01839	1.2
177.05502	1.1
179.03397	1.0
179.10692	9.0
181.08623	26.3
185.06024	1.4
187.03992	2.6
187.07524	1.2
188.04782	1.2
189.05507	1.2
191.03671	2.3
191.05521	18.7
191.07135	1.8
193.05025	7.1
194.05511	1.0
197.11771	28.9
199.07610	1.2
201.05530	1.4
203.03462	1.6
205.04939	1.4
205.08609	1.7
210.06726	1.0
215.07069	2.1
216.07805	1.5
220.58165	0.9
223.09700	8.7
223.13274	1.5
227.03363	1.2
233.06421	1.1
241.08444	1.5
241.10812	22.3
242.11229	1.9
247.02586	1.7
254.02197	1.1
267.07053	1.3
268.03769	1.5
269.04614	1.1
270.01663	3.1
271.02383	1.5
271.09814	2.2
279.06754	2.3
280.07516	1.5
280.15109	1.0
281.08118	2.2
283.02451	1.6
284.03442	1.3
285.04007	5.5
286.04453	1.5
295.09689	1.5
297.04034	2.3
297.14902	1.6
298.01218	1.4
299.05463	1.2
313.03531	28.9
314.03885	3.9
327.05139	2.3
328.05780	11.3
329.06281	1.7
333.09756	1.3
337.09418	2.1
339.08792	2.3
342.07382	1.9
343.08224	58.6
344.08524	7.2
353.10284	1.6
366.07416	2.1
383.07553	1.7
420.86618	1.0
421.07645	2.0
456.13403	1.2
531.09070	1.1
545.25702	4.8
558.14313	1.5
609.19861	2.8
619.16962	1.9
637.17700	2.6
727.35675	1.3
751.35883	1.2
757.21124	1.1
769.36511	100.0
770.36835	27.2
795.31702	1.4
813.23053	10.0
813.37573	4.8
814.22400	2.7
814.35382	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	813.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25356	0.2
59.01245	1.2
61.98692	0.8
69.20481	2.0
69.20880	0.7
71.01253	0.8
73.02816	0.6
80.74588	0.3
85.02818	0.6
85.90063	0.3
87.00744	1.8
89.02326	0.3
93.03317	0.6
96.95889	0.6
109.02805	0.5
113.02332	0.4
117.03386	0.4
121.02814	0.7
123.00775	0.3
125.02357	0.3
128.03470	0.3
130.99823	0.3
132.02068	2.7
133.02856	0.3
133.71364	0.3
134.03662	2.1
135.04372	0.4
137.02354	0.6
145.02921	0.3
147.04399	0.9
149.02264	0.4
149.05977	0.9
150.03200	0.4
151.00336	0.3
152.00941	0.3
159.04414	0.6
160.01584	7.0
161.02306	1.1
161.05811	0.3
163.03966	0.5
165.01840	1.0
165.05486	0.7
174.03181	0.3
175.03929	5.4
177.01918	0.3
180.04231	0.6
187.03914	0.4
189.01855	0.7
191.03354	0.4
191.05490	0.5
193.04962	1.9
195.06512	0.7
202.02643	0.4
203.03444	0.4
210.03198	1.0
211.13326	0.3
213.05568	0.5
214.02628	0.3
215.03490	0.4
225.05444	0.9
225.07495	0.4
226.02655	1.6
227.03423	0.9
229.01382	0.3
231.67911	0.3
231.96121	0.3
241.04988	0.4
242.02232	1.6
243.02417	0.4
254.02209	1.7
255.03003	0.4
257.04510	0.3
267.02869	0.4
268.03552	0.4
269.04498	0.9
270.01703	4.8
271.02316	1.2
281.00949	0.6
281.07965	0.3
282.01505	0.5
283.02408	1.2
284.03214	0.7
285.04037	9.9
286.04300	0.5
295.02637	0.4
297.03900	2.0
298.01224	2.5
299.02106	0.6
299.05630	1.4
300.02689	0.8
301.03210	0.3
312.02701	0.8
313.03537	44.9
314.03867	3.5
327.05084	3.7
328.05865	17.7
329.06229	1.7
333.09631	0.3
334.80005	0.3
337.07175	0.3
342.07556	0.9
343.08212	100.0
344.08560	9.9
351.10989	0.4
361.16495	0.8
379.54819	0.3
469.13290	0.7
531.09381	1.0
577.81049	0.3
619.16235	0.5
813.31934	0.7
814.20190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
67.78701	0.1
69.37396	0.4
69.37813	0.6
78.91831	0.1
87.00738	0.3
89.02287	0.2
104.53789	0.1
121.02810	0.2
125.04240	0.1
125.68881	0.1
134.03633	1.5
135.34193	0.1
137.02306	0.2
147.04405	0.2
149.02351	0.3
151.00227	0.2
158.58298	0.1
160.01579	0.4
161.02240	0.1
164.04698	0.4
168.49583	0.1
172.07396	0.1
173.04495	0.2
175.03902	0.3
178.52769	0.1
185.05923	0.2
193.04994	1.6
198.03177	0.3
201.01945	0.2
202.02643	0.1
204.03944	0.1
205.01526	0.1
205.05035	0.2
210.03172	0.7
213.05487	0.4
214.02684	0.3
223.04030	0.2
223.06024	0.7
225.05528	0.9
226.02673	1.8
227.03340	0.4
229.01431	0.4
230.02126	0.4
239.03461	0.5
240.04260	0.2
241.05025	0.6
242.02150	1.9
243.02840	0.2
245.04472	0.4
253.01375	0.3
254.02122	1.1
255.02921	0.3
256.03668	0.1
260.40411	0.2
267.02991	0.2
268.03708	0.2
269.00836	0.3
269.04535	0.5
270.01703	4.8
270.04639	0.2
271.02188	0.6
281.00870	0.5
282.01648	0.4
283.02493	0.8
284.03271	0.9
285.04056	8.3
286.04358	0.7
295.02451	0.4
297.04037	2.0
298.01212	2.4
298.04492	0.3
299.01889	0.3
299.05539	1.4
300.02798	0.2
311.05579	0.2
312.02853	0.6
313.03534	43.9
314.03885	3.7
316.32568	0.1
327.05096	3.2
328.05865	19.4
329.06287	1.8
343.08206	100.0
344.08551	10.8
363.40765	0.2
469.13428	0.5
813.31177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.3
69.35520	0.8
69.35918	0.2
71.01245	0.2
87.00738	0.4
89.03835	0.7
93.03359	0.1
98.19672	0.1
106.04121	0.1
115.17271	0.1
117.03347	1.5
121.02845	0.1
122.58340	0.1
132.02055	0.7
133.02856	0.3
134.03633	19.8
135.03935	0.6
137.02344	0.9
139.03917	0.3
147.04414	0.2
149.02386	0.2
149.05986	2.1
150.06342	0.1
160.01567	2.4
161.72723	0.1
174.03163	0.1
175.03935	2.1
178.02631	2.9
179.02998	0.2
191.05629	0.1
193.04993	16.5
194.05318	0.9
198.03242	0.2
202.02562	0.1
210.03166	0.7
213.05582	0.2
214.02583	0.2
216.00601	0.1
223.03751	0.1
225.05551	0.8
226.02647	1.2
227.03394	0.3
229.01312	0.2
230.02075	0.3
237.20087	0.1
239.03548	0.1
241.01500	0.1
241.04991	0.4
242.02161	1.0
243.02879	0.2
245.04614	0.2
253.01479	0.2
254.02101	1.0
255.02896	0.3
257.04599	0.2
267.02997	0.2
269.01102	0.3
269.04495	0.5
270.01715	3.7
271.02179	0.3
281.00919	0.6
282.01547	0.3
283.02533	0.7
284.03305	0.6
285.04044	7.5
286.04333	0.4
295.02570	0.2
297.04007	1.9
298.01187	2.0
298.04294	0.2
299.02014	0.2
299.05612	1.4
300.05893	0.2
311.05542	0.2
312.02676	0.4
313.03531	41.6
314.03888	3.5
327.05106	3.3
327.09006	0.1
328.05856	20.0
329.06232	1.7
342.07465	0.5
343.08200	100.0
344.08551	10.6
385.09238	0.2
469.13477	0.2
519.12939	0.3
619.16479	0.7
620.17010	0.1
637.07379	0.2
637.17773	2.0
638.17834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97812	1.2
61.98705	1.6
65.00183	1.1
68.99660	1.2
69.74981	6.9
71.01246	5.8
73.02824	2.3
85.02827	3.8
87.00743	2.5
89.02312	1.6
89.03825	2.3
91.01753	3.0
93.03336	2.8
95.01225	1.3
101.02317	3.2
108.02058	9.6
109.02851	8.1
111.00754	1.6
113.02324	1.9
121.02861	2.5
121.56273	1.1
122.03597	1.5
123.04395	8.6
124.01533	1.6
131.04909	2.3
133.02838	6.9
134.03691	2.9
135.04416	2.4
137.02313	1.5
143.04906	2.2
145.02846	3.8
145.06528	2.4
146.03712	6.0
147.04448	7.6
148.05170	2.3
149.02347	5.6
149.06006	25.3
150.03209	1.4
151.03847	1.7
158.03590	1.4
159.04433	77.7
160.01630	1.5
160.05232	18.5
161.02359	39.3
161.06001	20.2
163.03854	3.4
171.04509	1.7
172.05186	3.4
173.02388	5.1
173.04597	2.5
173.06004	35.0
174.03091	2.2
174.06329	1.7
175.03926	3.7
177.01891	1.6
187.00284	9.9
187.03935	6.9
189.01878	59.3
190.02211	4.1
191.03535	1.6
191.05511	1.4
193.04999	8.3
199.03949	5.3
203.03419	4.6
204.04163	3.4
211.03880	1.9
212.04613	1.7
213.05486	4.1
217.01343	3.5
219.06500	3.0
224.04729	2.0
229.01558	1.9
235.07347	1.8
237.03908	13.3
239.03485	1.7
239.07076	4.5
240.04272	3.0
241.05096	9.6
242.05455	1.6
249.05586	2.2
250.06439	2.7
251.07039	3.7
252.04323	1.8
252.08000	1.3
253.05013	4.5
253.08659	2.0
254.05763	3.6
255.02992	3.2
256.03613	1.3
256.07272	2.5
257.08017	1.3
261.05493	3.1
262.06326	2.5
263.07071	3.6
264.07764	2.5
265.05066	5.3
265.08679	1.6
266.05960	6.4
267.06610	21.3
268.07025	2.9
269.01111	1.4
269.08041	3.0
271.02411	4.7
277.05072	3.4
278.05811	3.7
279.06644	13.9
280.07364	8.5
281.05008	2.3
281.08099	16.2
282.05780	2.8
282.08963	43.2
283.02475	3.0
283.09290	5.5
284.03201	3.0
289.05035	3.3
290.05844	3.1
291.06555	3.9
295.09723	9.2
296.03329	1.3
297.11328	50.2
298.11630	4.5
299.02008	1.4
299.83716	1.3
300.02771	8.1
305.04584	1.9
306.05392	6.2
306.08478	1.6
307.06107	31.6
308.06851	29.7
309.07336	3.7
312.02722	3.5
313.03348	2.5
313.06848	2.1
314.07895	1.4
321.07684	10.7
323.09219	44.2
324.09604	5.2
327.05017	2.1
328.05859	2.3
341.10291	25.3
342.07474	10.6
342.10944	1.9
343.08133	6.5
344.09119	1.5
349.07040	3.1
367.08200	22.8
368.08585	1.9
385.09131	5.6
393.06262	15.7
394.06680	2.1
401.14658	2.0
411.06802	2.8
429.06140	2.7
463.06699	4.6
473.04852	2.5
501.04459	4.8
503.09787	8.4
513.07825	2.4
531.09357	100.0
532.09619	23.0
575.08289	12.4
576.08783	4.6
697.21014	2.1
725.24994	6.7
726.24652	2.0
769.24023	10.8
770.23547	3.1
795.21423	20.3
796.22070	3.5
813.22327	35.5
813.36713	2.6
814.22937	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	813.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.1
59.01246	0.4
64.53670	0.1
67.06126	0.1
71.01252	0.4
85.02847	0.1
87.00757	1.3
89.02328	0.1
89.03848	0.8
93.03344	0.3
95.01260	0.1
98.19810	0.3
101.02336	0.2
106.04110	0.1
108.02017	0.1
109.02861	0.2
109.63340	0.1
111.00785	0.1
117.03344	1.6
118.03622	0.1
119.04956	0.1
121.02866	0.3
130.99730	0.2
132.02058	0.7
133.02852	0.2
134.03632	19.4
135.03946	1.0
137.02341	1.2
139.03917	0.3
143.29155	0.1
145.02861	0.1
146.03703	0.1
147.04414	0.4
149.02306	0.3
149.05994	2.1
150.03127	0.2
151.00275	0.2
153.01758	0.1
159.04411	0.2
160.01569	2.4
161.02245	0.3
163.03912	0.1
164.04697	0.1
165.05545	0.1
173.04532	0.1
173.05914	0.1
175.00258	0.1
175.03934	2.5
176.04269	0.1
178.02640	2.7
179.03162	0.1
187.03931	0.1
189.01787	0.1
191.03462	0.2
191.05432	0.2
193.04993	16.7
194.05296	0.9
198.03197	0.3
198.52895	0.1
200.01073	0.1
201.01886	0.1
201.09155	0.1
202.02487	0.1
210.03154	0.6
211.03941	0.1
213.05547	0.4
214.02641	0.4
215.03358	0.2
217.05144	0.1
223.03976	0.1
223.06044	0.2
225.01793	0.1
225.05537	0.9
226.02644	1.3
227.03311	0.4
229.01355	0.3
230.02231	0.3
239.03455	0.3
240.04269	0.2
241.05057	0.3
242.02170	1.4
243.02983	0.3
245.04520	0.3
246.01791	0.1
253.01294	0.2
254.02220	1.0
255.02888	0.4
257.04437	0.3
264.94379	0.1
267.02988	0.3
268.03864	0.2
269.00928	0.1
269.04523	0.6
270.01678	4.2
271.02332	0.5
281.00952	0.4
282.01532	0.4
283.02472	0.8
284.03183	0.8
285.04028	7.8
286.04349	0.6
295.02460	0.1
296.02856	0.1
297.00708	0.2
297.04019	1.8
298.01208	2.6
298.04385	0.2
299.02063	0.2
299.05627	1.3
300.05896	0.1
311.05630	0.2
312.02655	0.5
313.03528	41.1
314.03897	3.5
314.07135	0.1
327.05084	3.0
328.05853	17.8
329.02536	0.2
329.06204	1.9
342.07419	0.6
343.08200	100.0
344.08554	11.3
385.09055	0.1
469.13391	0.2
519.13104	0.3
531.09631	0.1
619.16522	0.6
620.17090	0.2
637.17749	1.7
638.18079	0.4
813.31073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.6
71.01247	6.6
71.54456	0.7
72.99162	0.9
73.02809	5.2
75.00755	1.1
83.01236	1.2
85.02834	2.3
87.00747	3.7
89.02310	2.1
89.03862	1.2
91.05444	1.1
93.03327	2.5
95.01257	1.2
99.00753	3.5
101.02315	3.1
105.03329	0.7
108.02072	0.6
109.02847	1.1
111.00771	0.9
113.02335	3.6
117.03333	2.6
118.10229	0.5
119.01320	0.6
119.04932	1.7
121.02848	13.5
121.03683	1.0
123.00776	1.6
123.04347	0.6
124.01577	0.7
125.02277	1.1
131.03419	0.7
132.02068	13.2
133.02844	2.3
134.03636	26.4
135.04514	2.5
137.02332	4.6
139.03909	0.7
143.04874	0.5
145.02841	1.2
147.00766	0.6
147.04431	5.1
149.02350	70.7
149.05945	3.5
150.02693	2.7
152.01118	0.6
155.03391	0.6
159.04401	0.8
160.01573	48.4
161.02316	3.9
162.03104	0.8
163.03894	2.2
164.04700	49.3
165.01859	1.1
165.05315	2.3
172.05240	0.6
175.00414	3.1
175.03922	38.3
176.04332	1.7
177.01852	1.8
178.02577	1.0
179.03477	1.1
179.07011	4.0
187.03967	1.0
187.07600	0.9
189.01857	1.1
189.12796	0.7
190.02654	8.6
191.03317	1.5
191.05598	1.0
191.07077	1.1
192.04080	0.8
193.01387	1.0
193.04991	21.6
194.05342	1.5
195.06583	0.6
200.04709	0.8
201.05403	0.7
205.05002	9.1
208.03703	2.8
214.02605	0.7
215.07152	1.1
223.06068	100.0
224.06395	6.7
225.05653	0.5
233.00958	1.0
235.06053	0.8
239.93060	0.5
265.07291	0.7
267.06857	0.7
311.09177	0.7
323.05447	0.9
324.06360	2.4
333.09824	0.7
339.08624	4.9
340.08792	0.7
343.08188	0.7
389.12152	0.7
406.16040	0.6
501.23523	1.5
530.61853	0.6
543.24701	0.8
577.19342	0.8
640.09003	0.6
707.28778	1.0
725.29779	1.4
767.31824	40.7
768.32190	10.6
811.34259	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	811.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01253	10.4
59.59312	0.8
61.98708	12.3
69.03343	2.5
71.01261	6.6
71.04862	0.8
72.99201	1.0
73.02820	0.9
75.00737	1.0
85.02834	2.8
87.00765	2.4
88.03923	3.2
89.02316	3.5
89.52534	0.8
89.69737	0.8
95.04880	1.4
97.02859	1.2
101.02330	4.0
109.06464	1.3
111.08056	4.2
113.02340	2.4
121.02840	1.0
137.02350	1.9
147.04420	1.3
153.12711	1.2
161.04524	2.2
165.12770	1.4
167.10738	2.4
169.12267	2.4
171.10202	2.4
177.12730	1.3
179.10721	1.6
179.14333	3.3
181.12288	1.6
195.13864	9.7
197.11781	24.1
198.12219	1.7
199.13377	1.5
205.12260	9.7
209.11830	4.2
211.13353	3.3
223.13358	100.0
224.13689	8.2
227.12836	2.6
235.08276	5.3
247.20555	1.4
253.09267	14.3
263.20206	1.4
277.21713	3.9
291.19687	17.0
292.20084	0.9
293.21094	1.0
309.20709	49.2
310.21094	3.9
365.71097	1.0
459.22385	14.4
460.22726	1.8
515.33502	1.1
545.29608	2.8
749.44531	6.1
751.42773	3.2
811.38580	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	812.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.2
61.98704	100.0
71.01252	0.2
71.51946	0.1
78.95824	0.1
83.61479	0.2
87.00801	0.2
93.03359	0.5
97.29397	0.1
97.99461	0.1
137.02379	1.1
143.25111	0.2
147.04425	0.4
177.46141	0.1
185.11688	0.2
207.10252	0.1
209.11742	0.2
211.13301	0.2
223.13469	0.2
261.05728	0.1
277.28171	0.1
289.18329	0.2
298.15280	0.2
333.18552	0.2
515.29663	0.2
749.43781	0.2
766.51233	0.2
813.41071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74195	0.9
58.90549	0.8
61.98699	1.0
69.81787	4.0
69.82198	1.8
71.01249	2.1
85.02838	1.4
87.00743	1.7
89.02328	1.1
93.03343	2.3
98.20642	1.2
101.02322	1.4
108.02043	1.2
109.02792	1.6
111.00779	1.3
111.02399	1.0
113.02347	1.5
121.02872	1.7
123.04391	1.5
133.02802	2.4
134.03603	1.8
137.02345	2.4
141.31891	0.9
145.02879	1.3
147.04466	2.1
149.05986	6.7
150.03160	1.9
157.54300	1.1
159.04384	5.2
161.02357	8.9
161.05949	1.5
163.00327	1.3
163.03920	1.3
164.01031	1.0
164.04636	1.2
165.05469	2.3
167.03296	0.9
173.04523	1.2
173.05974	2.3
175.03886	1.3
177.01820	1.6
187.00290	2.3
187.03922	1.0
189.01855	11.2
191.05524	1.4
193.05019	4.9
199.03981	1.0
211.04028	1.4
219.03046	1.2
223.04037	1.2
225.05612	1.1
237.03967	2.8
239.07069	1.3
240.04286	1.3
254.05836	1.8
255.02959	1.9
255.06538	1.4
265.04843	3.0
267.06577	2.7
271.02332	1.3
275.06805	1.2
278.05762	1.2
279.06610	3.1
280.07297	1.0
281.08011	1.3
282.08932	2.2
284.03442	0.9
289.05286	1.0
291.06531	2.3
293.07956	1.1
295.02512	1.3
295.09589	1.3
297.11288	2.8
303.06558	1.0
307.06119	3.7
308.06937	3.5
309.07394	1.2
312.02606	1.6
313.03571	3.5
314.08051	1.5
321.07504	1.6
323.09189	6.6
331.06134	1.0
337.06970	1.4
341.10333	1.8
342.07437	3.8
343.08176	5.0
349.07037	1.3
351.10693	1.9
359.05524	1.5
363.05142	2.1
367.08054	1.8
393.06088	3.1
407.04318	2.1
435.06897	1.3
445.05334	1.1
451.08191	2.6
463.07407	1.9
473.05432	1.7
495.07233	1.7
501.04773	3.3
503.09897	2.7
503.43890	1.3
523.06635	1.5
531.09375	39.5
532.09741	7.9
535.10553	1.2
547.09637	1.3
549.08264	5.5
551.05896	2.1
553.11591	5.1
565.08051	2.3
566.08398	2.0
575.08228	8.0
576.09344	1.1
578.11639	1.4
579.12646	5.2
581.10754	1.7
595.12488	3.2
596.13245	100.0
597.13641	19.5
607.12872	1.4
628.12311	5.5
629.12952	1.2
637.17352	4.5
640.12152	19.2
641.12616	2.9
651.11243	2.6
663.14838	1.3
666.10193	3.3
667.10474	1.7
677.09442	5.4
681.15857	7.1
682.15979	1.9
689.13153	1.7
707.14148	33.2
708.14069	6.8
725.15161	1.6
733.12329	2.5
751.13074	8.4
752.13495	2.1
777.10791	2.0
813.21924	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	811.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.4
69.71618	10.0
71.01253	5.3
73.02810	2.5
75.23198	1.6
85.02810	4.4
85.33134	1.6
88.04893	1.6
93.03329	2.0
94.48313	1.7
98.20496	2.0
99.00722	3.5
101.02310	5.2
108.02058	2.0
109.02860	2.6
111.00768	2.1
121.02824	11.4
123.00773	8.4
123.04449	2.8
125.02340	5.6
125.64371	1.7
125.87457	2.1
131.04913	4.0
137.02371	10.2
138.03136	11.3
139.03947	2.2
146.03673	4.4
147.04417	7.9
152.04727	3.2
153.05440	3.1
159.04427	100.0
160.05235	16.4
161.02354	3.0
161.05980	28.3
163.03958	2.9
173.02365	3.9
173.04625	2.4
173.06006	37.4
174.06372	2.4
175.03926	5.5
187.03914	8.1
191.05499	2.1
193.35675	1.9
193.83080	1.8
199.03879	4.2
203.03418	10.4
204.04124	2.7
216.88199	2.0
217.01372	3.2
223.07614	4.5
225.09163	2.3
228.04280	2.2
229.01402	3.0
237.09764	2.1
241.04822	2.0
241.08594	2.7
249.05484	7.2
249.07799	3.0
250.06171	2.2
251.07115	24.7
256.03720	2.9
261.05606	3.6
266.05609	2.1
267.06610	5.8
268.07248	2.3
269.04807	2.5
269.08179	7.9
271.06055	4.6
277.05063	25.2
278.05627	6.1
279.06616	20.4
280.07092	3.5
281.04633	4.1
282.05328	9.2
282.08612	3.2
286.08493	2.4
293.04617	6.3
294.05341	6.0
295.06012	11.5
295.09207	2.2
296.06876	4.4
297.07675	43.0
297.11090	4.2
298.08057	4.0
299.09360	4.4
305.04547	8.4
307.06305	4.0
310.08591	4.5
311.09122	5.2
312.10034	35.5
313.10486	2.7
321.04208	3.7
321.07617	3.7
322.04776	9.3
322.08438	3.7
323.05707	24.2
323.09253	4.0
324.06122	2.5
325.10818	7.1
327.12378	48.3
328.12561	3.4
336.06293	4.2
337.07123	13.7
338.07932	26.0
343.08157	2.7
351.08688	12.1
353.10303	45.4
354.10635	4.7
367.08029	2.6
371.11328	21.7
379.08224	4.4
397.09256	24.9
398.09821	4.5
415.10318	5.4
423.07169	16.1
424.07446	4.3
441.08517	2.9
723.25116	9.5
732.46509	2.2
767.23743	15.4
793.22119	34.0
794.22003	6.1
811.23071	69.6
812.23279	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	807.431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	36.2
61.98702	79.7
71.01256	16.7
71.53668	19.1
75.00777	14.0
87.00740	25.8
96.12688	12.8
96.95910	19.0
101.02386	17.0
131.03401	15.9
135.27554	12.7
139.07176	12.8
198.34338	14.0
209.11763	100.0
211.13307	35.0
211.72018	14.3
227.12901	21.6
230.25833	13.4
253.09332	28.0
255.96878	15.8
293.21216	73.2
404.09363	14.0
448.77594	12.5
509.62152	14.0
576.28357	17.4
772.09607	16.3
807.42334	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07662	0.4
57.03330	0.4
58.00470	0.9
59.01252	18.1
61.98705	1.8
68.99693	0.5
69.03323	0.9
71.01256	15.9
72.99185	1.9
73.02824	2.9
75.00744	0.6
78.95763	0.7
81.03346	1.2
83.01279	1.2
85.02824	4.7
87.00749	4.8
89.02315	12.2
95.01295	1.4
97.02818	3.6
98.20721	0.4
99.00788	1.1
101.02327	12.6
111.04433	0.8
113.02321	8.1
115.03918	0.7
119.03390	3.9
125.02328	7.9
125.09601	0.7
127.11176	2.2
131.03403	0.7
133.04942	0.7
137.02313	0.4
139.03854	0.5
141.01855	0.5
143.03403	3.1
145.04999	0.4
150.39423	0.4
153.09128	0.9
161.04489	3.4
163.03851	0.4
166.23773	0.4
167.03430	0.6
171.10182	100.0
172.10516	4.4
179.05528	3.2
185.11919	0.4
195.13849	1.2
199.06137	0.8
213.11446	0.4
217.07080	0.9
221.06624	1.4
235.08138	5.7
235.10071	0.5
245.06653	0.7
253.09264	2.6
255.23273	65.6
256.23599	5.0
259.08209	0.7
269.24774	0.7
277.21887	1.0
287.07703	1.9
293.21182	4.7
295.22800	7.1
296.23090	0.7
297.24823	0.4
305.08777	1.9
323.09824	0.8
373.29175	0.4
379.12445	13.0
380.12698	1.3
397.13501	39.9
398.13815	2.8
415.14514	7.9
551.23517	1.3
569.24854	0.9
635.36401	0.6
653.37848	1.7
807.43805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01253	22.2
61.98700	1.8
63.72761	0.6
69.03325	3.0
71.01254	5.5
71.04903	1.5
72.99169	0.7
73.02814	0.9
77.64746	0.6
80.68692	0.7
81.03327	1.0
83.01231	1.6
83.04867	0.9
85.02824	1.6
85.06472	0.8
87.00741	1.9
89.02319	3.5
93.03364	1.2
97.02851	1.1
97.06495	1.9
98.19823	2.7
101.02324	4.6
109.06487	1.2
109.96095	0.6
113.02306	2.9
119.03403	1.4
123.04460	0.7
123.08067	0.9
125.09622	3.2
137.09644	1.2
138.79053	0.6
141.09109	0.8
145.04984	1.0
149.09508	0.9
161.04468	1.8
163.11203	2.6
167.10712	3.8
177.12741	0.7
179.10727	1.5
179.14328	3.8
185.11746	3.2
191.14340	2.4
195.13855	11.0
196.14243	0.9
205.12299	11.6
206.12706	0.8
207.10136	1.3
209.11781	9.7
211.13321	0.9
223.13356	100.0
224.13667	7.6
225.11258	1.9
230.08347	0.8
235.08154	4.6
237.11360	1.2
245.19122	7.5
253.09264	10.5
263.20184	2.0
277.21585	1.0
289.18097	30.8
290.18472	2.5
307.19153	30.1
308.19394	3.2
399.12964	0.7
415.25095	1.2
459.22260	10.0
460.22601	1.5
495.30945	1.3
513.32336	1.2
522.06134	0.7
543.28027	1.0
607.31073	0.7
633.33093	4.7
634.33203	1.5
651.33624	1.9
713.39795	0.9
731.40137	1.1
749.40857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.1
61.98696	3.0
69.03327	1.1
69.23293	11.6
71.01261	3.5
83.58199	1.1
84.00790	1.3
85.02821	1.6
86.02565	1.2
87.00775	1.4
89.02328	2.1
94.82623	1.2
101.02354	2.3
108.28545	1.3
113.02338	1.6
121.10136	2.0
129.49020	1.4
148.65883	1.3
161.04524	2.5
171.10164	2.9
184.43866	1.3
185.11760	2.9
197.11716	1.6
209.11809	1.6
211.13341	25.3
223.16991	2.7
235.08142	5.0
251.16565	7.5
253.09323	10.5
255.23174	1.7
275.20160	1.7
277.21735	100.0
278.22220	9.4
291.19641	27.2
293.21188	4.4
309.20715	12.1
316.04712	1.3
632.43359	1.4
716.82178	1.3
787.49744	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	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
61.98700	3.1
67.58245	0.3
67.65629	0.3
71.01254	2.6
71.52788	0.6
80.96380	0.5
82.95256	0.4
85.02811	0.7
87.00752	0.8
89.02308	1.9
89.44035	0.3
93.03440	0.4
99.00716	0.4
101.02319	2.3
104.27784	0.3
113.02309	1.3
115.03524	0.4
119.03342	0.8
121.73341	0.3
161.04457	1.6
179.05597	0.4
179.14246	0.8
182.86198	0.4
195.13837	7.8
196.14203	0.4
200.20564	0.3
205.12331	0.9
205.15997	0.5
211.13399	0.4
223.13364	5.3
228.13625	0.6
231.21249	0.5
235.08141	0.8
235.17038	1.0
253.09253	18.8
254.09546	0.6
256.13132	1.4
275.20172	7.5
276.20401	0.8
277.21667	0.6
293.21219	100.0
294.21533	8.3
344.64182	0.4
474.89777	0.4
529.30493	0.8
569.42157	1.4
678.62805	0.4
805.41119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.3
59.00950	0.2
59.01250	3.2
69.03321	0.2
71.01257	2.6
71.01665	0.3
72.99195	0.2
73.02821	0.5
80.81978	0.1
83.01257	0.2
84.98994	0.1
85.02838	0.5
87.00747	0.4
89.02321	1.9
90.33308	0.1
95.01264	0.2
99.00763	0.2
101.02323	2.4
111.08044	0.4
113.02329	1.4
113.09573	0.4
119.03379	0.4
123.36157	0.2
131.03358	0.2
141.09181	0.2
143.03409	0.3
161.04469	1.2
162.48529	0.1
167.10719	0.3
171.10191	0.2
177.12790	0.2
179.05550	0.5
179.10629	0.2
179.14328	1.0
181.12224	0.2
195.13837	8.1
196.14493	1.1
205.12263	0.8
205.15923	0.3
211.13351	0.5
223.13344	5.9
224.13860	0.5
225.14845	0.2
228.13614	0.8
231.21112	0.5
235.08200	0.8
239.12975	0.2
249.22078	0.2
253.09268	15.0
254.09708	0.8
256.13177	1.2
265.21701	0.5
275.20148	5.9
276.20544	0.6
293.21225	100.0
294.21558	10.1
492.22253	0.5
529.29950	0.8
554.18518	0.2
569.42255	1.3
570.42810	0.4
587.21698	0.1
724.78375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	19.8
66.22346	4.8
67.99575	5.6
70.30371	18.6
71.01244	13.4
77.65275	4.9
79.20106	5.0
80.96392	5.6
81.03326	15.7
83.01259	11.2
85.02840	6.8
87.00745	17.5
89.31796	6.8
93.03326	13.9
95.01295	9.0
95.04871	9.1
97.02820	8.9
99.00739	6.0
99.04415	7.8
107.01320	10.4
109.02823	18.4
111.00776	8.4
111.04403	6.0
117.03361	5.6
119.04928	13.0
121.02862	27.7
122.03648	13.5
123.00738	6.7
123.04398	18.5
125.02332	51.5
133.02834	15.3
134.03676	35.7
134.92392	4.7
135.04410	7.6
137.02335	27.1
138.03146	8.0
139.03856	11.1
145.02811	15.0
146.03568	6.3
147.04398	23.0
148.01630	6.0
149.02341	32.4
149.05962	17.3
150.03146	50.2
151.00282	11.6
151.03819	13.0
152.00972	6.9
153.01762	10.8
159.04391	19.7
160.01613	6.3
160.05211	7.7
161.02335	21.4
163.00252	8.1
163.03912	13.6
164.04701	11.9
165.01819	22.5
165.05495	47.0
166.02579	13.3
166.05815	19.4
167.03406	38.8
172.05128	9.5
173.06050	5.4
174.03136	8.2
175.03903	45.8
177.01852	24.9
178.02541	9.8
179.03357	11.4
181.04742	5.3
185.06026	6.5
187.03978	8.8
187.07545	12.9
188.04694	14.4
189.01849	14.9
189.05362	9.1
191.03375	15.1
193.01317	19.5
193.04968	47.7
194.05312	16.1
195.06544	21.3
196.06934	5.6
197.04564	10.1
197.06038	5.7
198.06728	12.4
199.03928	12.9
199.07593	14.6
203.03522	8.2
204.07909	9.7
205.01353	16.2
209.06102	5.8
214.06190	10.2
215.03468	5.9
217.01407	10.4
217.04971	19.2
219.03014	11.4
221.00870	23.0
223.07637	19.2
224.08348	7.0
225.09052	10.2
227.03450	21.6
227.10728	16.7
239.03288	6.5
240.04301	6.6
241.04971	9.0
241.08586	5.9
243.02930	23.3
243.10191	35.7
244.03680	6.9
244.10666	5.5
245.11815	13.0
251.01907	7.9
251.07082	7.7
256.03558	6.2
257.04404	6.2
271.95117	5.1
283.02609	5.9
283.05945	11.8
285.03952	8.4
297.07687	12.0
312.09830	6.3
313.03464	9.7
327.12225	7.5
328.05652	9.1
331.08060	10.3
333.09875	48.5
341.04822	5.7
341.10153	8.8
342.07434	15.8
343.08130	15.1
353.10333	9.4
353.30469	5.6
361.16510	9.4
362.16629	7.2
415.17551	5.8
416.04663	6.0
417.05942	10.2
418.06870	8.0
447.10800	20.4
475.10382	6.5
491.09949	13.1
499.10019	8.7
503.09793	11.2
509.21997	14.0
510.21951	22.2
511.22388	14.9
517.11481	27.5
519.09003	13.4
535.12549	8.5
558.24133	14.7
559.12433	12.9
559.24335	6.1
561.10388	14.5
615.42200	5.9
643.14868	13.4
651.11029	13.4
655.15637	6.5
669.12506	100.0
670.12805	19.5
673.15472	10.1
687.13599	92.8
688.13800	25.5
699.13538	40.9
700.13104	6.8
717.14618	55.3
718.15289	8.1
761.48206	6.0
789.17322	12.1
807.19409	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63591	0.9
59.01041	0.8
59.01253	9.1
71.01254	2.8
71.52485	1.1
72.99179	1.8
73.02834	1.4
73.96077	1.0
79.46372	0.8
85.02808	1.5
87.00746	5.0
93.03320	4.3
95.01271	1.9
96.95905	1.1
99.00753	1.6
101.02303	1.7
108.02022	3.7
109.02847	5.8
111.04369	1.3
113.02339	2.1
117.03352	2.3
119.04911	1.6
121.02839	21.1
122.03634	15.5
123.00724	2.6
123.04427	5.4
124.01558	2.6
132.02058	3.7
133.02853	15.1
134.03641	36.7
135.04372	4.2
136.01561	2.2
137.02345	8.0
138.03105	2.0
139.03906	3.3
145.02855	5.1
146.03682	4.5
147.04424	11.9
148.05139	2.7
149.02353	31.6
149.04857	1.6
149.05994	24.8
150.03131	70.0
151.00288	1.0
151.03671	4.3
152.00974	1.2
153.01793	1.3
154.02574	1.7
159.04431	3.1
160.01567	3.5
160.05118	1.1
161.02316	3.2
161.04668	1.0
161.05972	4.7
162.03102	2.8
163.03903	2.5
164.04716	9.1
165.01814	2.1
165.05481	73.5
166.05811	2.8
173.04530	1.1
175.03925	7.0
175.07491	1.0
177.05490	2.9
178.02675	8.3
178.06236	1.4
178.99667	1.0
179.07042	9.9
180.04190	3.7
191.05486	3.2
193.04999	39.9
194.05321	3.3
195.06541	22.5
200.04445	1.0
209.08017	1.1
213.95457	1.0
214.06163	1.1
215.07076	1.0
221.07935	0.9
239.07118	1.5
243.10190	2.9
282.09012	2.7
283.09625	1.4
299.02158	1.0
299.12924	1.2
313.10721	1.0
315.12253	2.2
327.08463	1.1
327.12119	1.2
328.05865	1.0
329.13840	4.2
333.09796	3.0
341.10370	10.0
343.08322	1.8
346.14075	6.4
347.14941	13.8
348.15341	1.1
361.16541	47.5
362.16891	5.1
371.11331	2.5
389.12457	9.8
390.12827	1.7
415.12524	1.6
415.17380	5.5
432.07336	1.0
505.19968	1.0
509.21799	100.0
510.22162	16.2
521.21832	6.4
522.22253	1.1
539.22998	15.9
540.23102	1.9
557.23895	41.3
558.24207	6.5
599.24615	1.2
609.18414	4.9
610.18768	1.4
653.25806	1.4
713.28265	4.1
805.24316	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
60.13350	0.2
61.98705	100.0
66.91557	0.3
71.01288	0.3
71.53170	0.4
78.95793	0.4
80.96408	0.7
84.73944	0.2
87.00771	0.5
121.44354	0.2
123.98770	0.2
127.80880	0.3
141.07788	0.2
147.04485	0.3
190.02646	0.4
191.15669	0.3
211.13254	0.3
289.18350	0.3
313.03513	0.6
343.08316	1.1
802.37054	0.4
803.39960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
64.82320	0.1
71.24092	0.1
71.24442	0.2
78.95798	0.4
79.95583	0.2
80.96403	0.4
84.66542	0.1
96.71425	0.1
113.02381	0.1
161.39070	0.2
170.18945	0.1
209.11774	0.2
225.11072	0.1
277.21945	0.2
291.19669	0.2
345.50635	0.1
778.64886	0.1
802.44800	0.2
803.40045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.27017	0.2
70.65511	0.5
70.65840	0.2
73.39210	0.2
78.95794	0.3
80.96386	0.4
82.22370	0.3
85.25353	0.2
86.10262	0.2
87.24664	0.2
89.02348	0.2
122.44978	0.2
156.90399	0.2
157.41148	0.3
277.21735	0.8
289.18015	0.4
604.37299	0.3
669.40790	0.3
802.44226	0.4
803.39142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.2
61.98711	4.0
69.03343	0.5
71.01256	3.4
71.04896	1.2
73.02811	0.8
80.02531	0.8
80.96404	0.6
81.03329	0.7
83.04888	0.9
85.02821	1.4
87.00765	0.5
89.02325	2.8
95.04914	0.5
97.06438	0.5
98.03638	0.6
100.01324	0.3
101.02338	2.9
109.06477	7.6
110.06821	0.4
111.03060	0.3
111.04406	2.8
111.08036	1.1
113.02324	1.5
119.03414	0.6
120.05717	0.4
123.08060	1.2
127.07555	1.2
134.03679	0.5
135.08060	0.5
137.09546	0.4
143.03294	0.4
143.10672	0.8
145.06503	1.2
149.09581	0.8
151.11206	0.7
161.04485	1.5
161.09799	0.4
167.10693	1.5
168.44028	0.4
179.05566	0.8
179.10510	0.6
181.12244	0.5
193.05005	0.5
195.13863	2.9
204.00146	0.4
209.11548	0.4
215.14340	0.5
235.08182	1.9
235.13261	0.7
245.19118	4.3
251.16533	0.7
253.09248	10.0
254.09605	0.7
261.18207	0.4
271.17041	1.1
277.21725	62.6
278.22061	6.5
287.16501	1.4
289.18097	100.0
290.18436	11.2
307.19196	4.8
308.19238	0.6
345.80563	0.4
459.37408	0.4
484.47028	0.4
525.26965	2.9
803.43634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
60.76217	0.5
61.58113	0.5
61.98708	1.1
63.02262	0.7
65.00192	1.2
69.94025	2.7
81.80478	0.5
87.00729	0.6
107.01257	2.1
108.02043	1.0
121.02847	1.1
139.00208	0.6
141.74373	0.6
148.01579	1.4
149.02403	0.8
151.00250	6.9
155.12444	0.6
159.04440	0.9
163.00238	0.9
164.01068	1.1
169.01366	0.7
178.99768	4.8
183.99953	0.6
194.00937	0.7
217.01443	0.6
226.02710	1.3
227.03392	2.0
243.02969	8.6
254.02388	1.5
255.02974	20.8
256.03265	1.7
271.02475	51.9
272.02969	5.1
273.04163	1.0
299.01984	1.7
300.02747	100.0
301.03317	15.4
303.01318	0.9
355.49921	0.6
504.70203	0.6
741.18835	71.4
742.19055	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	805.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02268	8.1
65.00187	11.6
69.20448	11.0
77.05341	1.0
77.34022	1.2
83.01248	7.9
93.03281	1.3
94.05888	0.9
95.01270	6.0
98.19768	1.8
107.01271	25.3
109.02826	1.7
111.00773	1.4
121.02837	4.3
123.00779	2.4
124.01554	13.9
125.02338	3.4
149.02345	1.8
151.00273	73.8
152.01079	33.1
153.01721	1.5
157.44133	1.2
163.00258	7.6
165.01790	2.0
169.01331	8.6
171.04381	3.2
178.20016	1.1
178.99777	81.6
180.00090	4.2
186.56874	1.2
192.00533	3.6
193.01353	7.5
198.03163	1.3
199.03940	6.6
210.03133	1.3
211.03896	1.1
226.02718	2.1
227.03444	49.3
228.03783	4.3
242.02118	2.7
243.02898	5.7
244.03288	1.2
255.02933	5.9
267.03336	1.2
269.00821	1.4
270.01590	1.5
271.02499	8.9
273.04288	1.5
283.02432	2.6
295.02512	2.9
299.01904	5.2
300.02722	14.7
301.03412	10.1
309.04120	1.3
327.05334	1.1
333.03894	2.1
342.07410	2.3
343.08383	1.5
345.03909	2.1
346.04678	2.1
361.07086	1.6
371.05844	2.2
373.03485	3.0
374.04242	1.8
387.04874	1.4
389.06839	2.1
390.03867	1.5
401.02994	3.2
403.04684	3.3
405.06552	1.3
415.04761	2.0
417.05884	3.1
431.03607	2.3
433.05292	12.3
434.05786	1.2
445.09128	1.3
447.07114	4.4
448.07877	3.9
451.10425	1.4
453.29022	1.1
461.08859	5.3
462.09430	1.8
463.09744	4.3
523.05817	1.2
586.33887	1.1
638.67639	1.1
643.10944	32.9
644.10962	5.3
805.16205	100.0
806.16528	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	801.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
65.04168	0.3
69.03322	1.0
69.24110	0.7
69.24515	2.7
71.01259	3.3
72.99184	1.0
73.02811	1.3
83.01265	0.4
85.02838	2.9
93.03318	0.6
95.01267	1.2
97.02843	0.4
98.19856	0.9
99.00748	1.3
101.02326	1.6
101.91726	0.3
107.01276	0.5
108.02061	61.8
109.02866	12.5
113.02340	2.5
119.04905	0.7
119.50246	0.3
121.02863	1.9
123.00760	0.9
123.04429	1.0
125.02345	0.9
129.01811	0.4
133.02899	0.5
134.03639	1.3
135.00749	0.7
135.04468	1.7
137.02361	0.9
139.03964	0.5
145.02831	0.9
147.04442	0.9
148.05202	0.9
149.02370	0.4
149.05983	1.0
150.03065	0.4
151.00298	1.1
151.03920	1.6
152.01067	100.0
153.01784	5.3
159.04375	0.4
161.02347	0.5
161.04463	1.4
161.05876	0.5
162.03197	0.4
163.00371	0.5
163.03941	5.0
164.04544	0.4
167.03403	0.7
173.02332	0.4
174.03137	1.3
174.64697	0.4
175.03923	1.0
177.01863	1.1
177.05447	0.8
178.99710	0.5
179.03444	0.8
187.03757	0.4
191.03429	0.4
193.04979	0.5
207.02954	1.2
207.06534	0.4
216.04295	0.4
217.04889	0.4
243.02945	1.1
249.05458	0.6
250.06302	0.4
251.07114	1.6
252.07922	0.5
255.02988	2.9
263.07181	1.2
264.07785	0.8
265.05035	0.9
265.08484	0.5
266.05774	0.4
267.06647	4.5
268.07382	1.4
271.02518	6.9
271.08279	0.4
272.03061	0.6
278.05844	0.4
279.06619	3.1
279.09882	0.8
280.07416	1.3
282.08936	1.5
283.09644	1.5
293.04590	0.7
293.08270	0.5
294.05310	1.5
294.08670	0.7
295.06311	0.8
295.09641	0.5
297.06271	0.5
299.01962	1.1
300.02740	11.1
301.03381	1.7
308.06924	1.5
309.07684	2.0
310.08344	0.7
313.03436	0.7
315.07220	1.2
321.07690	0.7
322.08554	0.6
323.05716	1.8
323.08987	0.7
324.06271	1.1
326.07977	0.6
327.08780	0.7
338.08136	2.0
339.08740	3.2
340.09219	0.6
341.10306	1.2
343.08206	0.4
353.10300	2.6
371.11346	0.5
429.10382	8.6
429.15329	0.3
430.10754	0.9
447.11472	21.4
448.11807	2.0
595.12915	2.3
596.14166	0.5
609.14886	0.5
664.72064	0.4
665.17218	1.2
771.21265	4.6
783.21277	5.9
784.22009	1.5
801.22375	43.8
802.22925	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	805.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01257	1.6
63.02273	10.3
65.00197	12.4
68.99680	0.7
71.01251	1.2
79.98066	0.7
83.01266	9.1
87.00739	1.1
91.63483	0.8
93.03304	1.2
95.01263	5.3
97.02792	0.7
98.20646	1.6
101.02280	0.8
104.04020	0.8
105.14124	0.7
107.01280	24.4
108.02052	2.4
109.02852	2.6
111.00756	2.1
113.76614	0.6
121.02848	2.7
123.00761	2.6
123.86794	0.8
124.01565	13.0
125.02345	4.9
134.03700	3.6
137.02333	2.0
139.00264	1.0
143.04808	0.8
147.41557	0.7
149.02376	3.3
149.05905	1.0
149.99542	0.8
150.03117	1.1
151.00285	77.5
152.01076	33.8
153.01527	2.3
157.46455	0.7
161.02325	2.0
163.00307	9.0
164.01106	1.1
165.01855	3.0
165.05464	0.8
169.01343	9.7
171.04466	2.5
175.03938	1.3
178.02676	0.7
178.99794	92.6
180.00146	4.8
183.04437	1.5
190.99625	1.2
191.05666	1.0
192.00552	3.1
193.01372	8.5
193.04991	3.7
195.06555	0.9
198.03081	2.0
199.03932	6.3
201.01576	0.7
215.03508	1.1
226.02608	2.1
227.03458	57.4
228.03905	4.1
231.02922	1.2
241.01404	1.6
242.02184	1.4
243.02939	5.0
245.04530	0.8
253.01315	1.2
255.02957	6.0
256.03613	1.1
269.00876	1.1
270.01678	1.6
271.02484	10.2
272.03040	1.6
282.01489	1.0
283.02423	2.9
284.03256	0.9
290.06226	0.7
295.02481	1.5
299.02072	5.2
300.02771	12.9
301.03439	11.2
302.03848	1.1
306.05145	0.8
313.03500	1.7
317.04535	1.3
323.01733	0.9
329.04251	1.1
333.04129	1.8
342.07401	2.4
345.03995	2.4
346.04706	2.2
349.03662	0.9
357.03915	0.9
359.05527	1.0
361.03250	1.4
362.03986	1.2
373.03558	2.6
374.04163	2.9
375.04898	1.4
387.05084	1.3
389.02734	1.8
389.07050	1.8
390.03580	2.1
401.02902	2.1
402.03436	1.1
403.04581	2.8
405.06396	1.2
415.04510	1.7
417.06204	3.2
418.02896	1.0
431.03992	2.6
432.08749	1.0
433.05261	12.8
434.05676	1.8
445.09491	1.3
446.10208	1.6
447.06824	5.1
448.07806	5.0
449.08521	1.4
451.10352	2.7
461.08914	5.2
462.09381	1.5
463.09503	4.0
472.07831	1.7
473.08594	1.3
491.09839	1.1
523.06671	0.9
567.06342	0.8
600.62347	0.8
613.07532	1.0
625.09698	1.1
643.10925	33.4
644.11292	6.4
805.16156	100.0
806.16583	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	2.8
65.54539	1.0
69.51749	6.8
71.01254	6.4
73.02818	2.0
85.02815	1.8
87.00745	17.2
89.02314	2.5
91.01751	1.4
91.12157	1.1
97.02812	1.1
99.00726	1.1
101.02316	3.8
108.02036	6.7
109.02836	8.1
113.02334	2.3
121.02836	1.4
122.03621	1.9
123.04403	4.6
125.02341	1.1
130.99860	1.3
134.03584	1.4
135.04396	2.3
137.02277	1.9
143.04887	1.4
145.02817	3.3
146.03641	4.4
147.04420	5.8
149.05974	1.5
151.00227	1.2
159.04430	26.6
160.01570	1.7
160.05193	5.7
161.02338	9.4
161.04669	1.7
161.05975	9.3
162.01862	1.3
162.03122	5.6
163.03902	5.1
172.05219	1.6
173.02327	4.5
173.05988	9.9
174.03027	3.4
175.03912	9.3
176.04681	1.5
177.01849	1.7
185.05963	2.6
187.03951	4.1
188.04530	1.0
189.05508	2.1
193.04881	1.4
195.06500	1.3
203.03415	4.1
204.04266	2.5
205.04895	1.7
213.05519	5.1
219.06496	1.7
224.04465	1.1
227.07001	2.1
237.05574	3.4
237.09653	2.7
238.06271	3.5
239.07060	3.7
240.04219	3.7
241.05008	14.4
242.05675	1.5
253.04926	3.8
254.05826	10.2
255.06624	15.1
256.07388	51.3
257.07681	3.7
264.04187	1.5
265.04956	5.9
266.05807	11.0
267.06644	7.3
268.03183	1.5
269.08206	7.0
271.02612	1.5
271.09763	25.7
272.10074	1.9
279.06717	3.0
280.07495	2.3
281.04517	11.6
281.08090	6.3
282.05304	19.5
282.08911	10.5
283.05884	3.4
283.09088	1.5
284.06683	3.5
295.06122	13.0
296.06845	8.1
297.07651	32.8
297.11282	15.1
298.08145	5.5
298.11435	1.9
299.09256	7.6
300.02673	2.3
307.06149	6.2
308.06992	5.6
309.04068	1.9
310.04825	1.3
313.10822	7.6
315.08694	1.5
323.09222	7.1
324.09689	1.5
325.07144	8.4
339.08606	3.7
340.04465	1.5
341.10278	8.0
343.08148	3.6
357.09909	1.3
367.08185	6.6
369.06064	1.8
385.09222	2.2
411.06979	5.4
429.08273	11.0
430.08536	1.8
574.26990	1.4
739.21075	5.0
763.21063	3.4
781.19653	1.8
799.22980	100.0
800.23370	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	799.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.9
61.98708	0.9
69.03319	0.7
69.39100	0.3
71.01247	3.0
73.02821	0.9
78.95794	0.5
78.98477	0.4
79.95608	0.8
80.96398	5.8
82.92969	0.3
82.95973	0.7
83.01260	0.5
83.04888	0.5
85.02853	0.8
87.00747	1.9
89.02326	1.7
94.97970	1.0
97.02863	0.4
98.20551	0.8
101.02328	2.2
113.02338	0.8
119.03378	0.6
119.04892	0.4
122.97443	0.5
125.79218	0.3
132.00494	0.4
148.98997	0.6
152.98517	0.5
153.32275	0.3
161.04503	1.1
163.03886	0.5
164.98558	1.0
167.14302	0.6
179.05521	0.6
183.13828	6.0
193.12259	2.0
211.13336	100.0
212.13680	5.1
225.00632	1.6
235.08105	0.8
253.09241	5.9
254.09671	0.4
255.23376	0.4
265.52997	0.4
267.01077	0.4
277.21713	50.8
278.22049	4.2
294.60919	0.3
296.15182	0.3
405.64584	0.3
429.21390	1.1
430.21982	0.4
447.22397	8.9
448.22864	1.0
513.30707	0.5
707.43536	0.5
709.38196	1.7
781.40381	1.2
782.40295	0.4
799.43005	6.6
800.43701	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	797.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.00953	0.6
59.01249	11.0
71.01255	5.0
72.99165	0.4
73.02818	2.0
75.00751	0.7
85.02805	2.5
86.94611	0.5
87.00749	31.2
88.01070	0.5
89.02308	1.5
93.03312	0.8
95.01276	0.6
99.00759	2.1
101.02335	2.6
107.04884	0.5
108.02048	1.5
109.02799	0.5
111.34074	0.4
113.02319	1.9
119.04929	1.4
121.02837	1.7
123.04398	1.2
125.02325	0.7
130.99767	7.1
134.03632	0.9
134.14854	0.4
135.04390	0.8
137.02341	0.9
143.03438	0.6
145.02856	2.6
146.03642	2.0
147.04430	5.6
148.05234	3.3
149.02341	1.4
149.04459	0.4
149.05969	1.4
150.03065	0.7
151.03856	0.6
158.03603	0.5
159.04434	3.8
160.01561	0.6
160.05156	0.8
161.04454	1.1
161.05978	1.2
161.09581	1.0
162.03151	1.0
162.06703	0.8
163.03932	0.8
163.07480	0.6
164.04631	0.6
165.05479	0.4
171.04460	0.5
172.05215	1.0
173.02365	1.3
173.04651	0.5
173.05927	2.6
174.03140	4.9
174.06763	0.7
175.03961	0.9
175.07481	2.0
176.04607	1.0
177.01804	0.6
180.04283	0.5
185.06001	1.7
186.06723	0.7
187.03903	1.7
187.07556	1.4
187.11104	1.1
188.04701	1.6
189.05501	1.3
189.09131	0.5
190.06297	0.6
191.03511	2.7
191.05576	0.7
191.07069	3.2
192.04173	1.0
193.04945	1.3
194.05678	0.6
196.05252	0.6
197.65916	0.4
199.04111	0.6
199.07552	1.2
200.04724	0.6
200.08260	0.7
201.05519	1.1
201.09174	2.2
202.02670	0.7
202.06252	0.6
202.09785	0.4
203.07095	2.2
205.12250	0.6
206.02144	0.5
206.07326	0.6
207.08092	1.2
207.10135	0.5
208.08659	0.7
209.06053	1.0
209.11829	0.7
211.07603	1.2
211.13342	2.6
213.05458	1.1
214.02650	0.5
214.06148	0.4
215.03470	1.0
215.07108	1.9
215.10683	0.5
217.08701	0.6
218.09323	0.8
219.10025	0.4
220.03636	0.8
221.06131	0.8
222.06757	1.0
223.05708	0.5
223.07524	1.3
223.13333	1.2
224.13635	0.7
225.09180	0.6
227.10658	0.5
229.04973	0.7
229.08641	1.4
233.06096	0.9
234.06929	0.8
235.05751	0.9
235.07642	1.8
236.08203	0.5
237.05577	1.0
238.04631	0.5
239.07236	2.1
243.10069	0.7
245.08194	0.5
245.61153	0.4
249.05557	2.2
249.11154	0.8
250.06361	2.4
251.07146	7.5
252.07571	1.1
261.05655	0.5
262.06271	2.0
263.07147	5.2
264.05374	0.5
264.07922	4.0
265.05038	1.2
265.08563	1.3
266.05820	0.8
267.06613	11.0
268.07092	1.3
269.10269	0.7
271.13464	2.6
272.13586	0.5
277.05063	0.9
277.08511	0.7
278.05820	0.8
278.09387	0.8
279.06607	14.3
279.10168	3.0
280.07022	1.5
281.08099	0.7
282.08966	6.5
283.09384	0.7
283.13336	0.8
289.14523	2.4
293.04742	0.6
293.08170	1.2
294.05334	3.3
294.08963	7.0
295.06171	4.6
295.09186	0.7
297.08176	0.4
297.11276	2.1
297.14926	2.3
299.12949	0.7
304.07150	0.5
305.04492	1.0
306.05280	0.6
307.05969	2.2
307.75867	0.4
308.06876	2.4
309.07617	3.0
309.11102	0.9
310.08328	1.7
311.05554	0.6
313.03534	0.9
313.10812	0.5
313.14246	0.5
315.15897	1.7
320.06946	0.8
321.07700	1.2
322.08395	5.5
323.05582	12.7
323.09229	4.2
324.05994	0.8
326.08017	3.4
327.08777	0.8
327.12231	0.8
335.09348	0.9
337.07224	1.2
338.07941	14.8
339.08282	1.5
339.16013	0.7
341.10269	19.4
342.10638	2.1
343.08240	1.3
350.10074	1.8
351.10541	0.5
353.10284	100.0
354.10666	10.6
366.36737	0.5
371.11328	5.2
372.11713	0.5
383.13571	0.6
409.13312	0.5
524.22522	0.6
525.23114	1.5
568.25293	5.3
594.26440	0.5
700.26550	0.7
767.25513	3.9
768.25702	1.5
779.24963	5.5
780.26117	1.6
796.38855	1.3
797.32159	12.1
798.31995	2.8
814.35785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45714	0.7
59.01234	1.1
60.85984	0.6
63.96108	1.7
69.03326	0.9
70.11613	0.8
70.83652	2.0
71.01252	11.3
71.11040	0.7
73.02819	1.7
78.95777	0.9
78.98467	9.6
79.95139	0.4
79.95602	16.7
80.96391	100.0
81.03308	1.1
85.02833	3.9
87.00761	3.7
94.97960	21.2
95.01295	0.8
96.95882	1.6
97.02829	1.2
99.00752	1.0
101.02332	3.7
106.97953	5.3
122.97491	4.8
125.02337	3.7
127.03922	1.1
134.97481	7.7
136.99049	2.5
145.85944	0.6
148.99062	8.9
152.98535	8.6
159.29811	0.7
164.97104	0.9
164.98541	17.7
167.00122	0.8
179.00003	0.7
206.99654	4.0
209.11734	2.2
211.13197	0.7
225.00690	33.3
226.00926	1.1
255.23265	3.0
323.12445	0.7
325.91119	0.8
329.02020	0.7
537.27185	1.4
541.19855	4.2
765.40210	0.7
797.43610	96.9
798.43988	25.0
798.59039	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	798.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	11.3
65.00201	7.6
71.01251	13.9
71.52866	8.2
73.02821	10.0
73.40620	5.1
85.02801	5.6
87.00755	24.0
93.03327	6.2
94.24950	5.6
99.00742	17.6
109.02839	19.5
111.00743	5.8
121.02870	9.9
123.04451	5.7
125.02321	12.3
133.02837	5.0
134.02367	8.3
135.00771	7.7
137.02332	12.2
147.04395	7.3
148.01517	17.4
149.02348	16.8
151.00250	23.7
152.00945	9.2
159.04425	27.4
161.02396	10.5
162.01854	18.6
162.03122	6.3
163.00282	8.0
163.02693	13.8
164.03400	8.6
165.01913	5.5
167.03416	7.3
173.04436	6.0
173.05940	6.5
175.00220	6.8
175.03835	6.0
177.01868	92.0
178.99786	17.3
183.04137	5.0
186.01875	20.1
187.03940	7.2
189.01913	8.0
191.02188	22.9
199.03931	9.3
202.01259	13.1
202.99850	10.8
204.02937	100.0
205.03218	7.8
214.01427	14.5
227.03445	13.0
230.00876	17.0
241.05025	11.2
243.02888	20.6
244.03064	6.9
247.01268	6.9
255.02945	11.9
255.06633	9.9
256.03400	7.2
256.07379	33.2
263.39319	5.2
270.01440	5.3
271.02475	30.6
271.09683	15.2
272.03198	9.5
280.03827	5.2
282.05463	11.7
282.08997	10.4
283.02420	13.0
284.03085	13.3
285.03900	9.3
287.01950	6.5
294.04150	31.6
295.05841	7.9
296.06750	7.7
297.07623	17.4
298.08334	7.5
299.01901	40.4
299.09052	10.5
300.02576	21.5
310.03702	10.5
311.01437	6.7
311.04657	8.5
313.03415	15.5
314.04065	9.4
316.02109	15.2
317.03033	7.6
322.03574	74.6
339.03873	57.9
339.08289	10.4
340.00748	9.3
340.04532	76.6
341.05148	7.6
356.03961	6.6
357.05014	12.2
367.08566	8.7
450.45532	5.9
559.85706	5.7
633.16949	7.6
662.19299	57.6
663.19501	10.8
688.16803	31.2
689.17029	7.9
780.20313	61.4
781.20074	11.9
798.20575	42.5
799.23383	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2087
Annotation	Isorhamnetin 3-(3'''-ferulylrobinobioside)
Peak:m/z	Relative Intensity
59.01254	1.1
71.01243	2.3
71.39607	1.7
72.99191	1.5
73.02794	1.1
83.19342	1.0
85.02824	2.6
87.00747	3.4
89.02280	1.2
89.03838	1.7
93.03330	1.1
99.00733	1.1
101.02343	1.6
108.02055	80.0
108.68976	1.1
109.02869	10.2
113.02357	2.5
115.58604	0.9
117.03363	2.6
119.04953	1.2
121.02842	1.6
130.99779	1.1
132.02029	7.1
133.02863	5.7
134.02660	1.9
134.03639	35.6
135.00819	1.3
135.04442	10.7
137.02356	1.4
145.02861	1.5
147.04381	1.4
149.05954	3.5
152.01060	99.7
153.01761	5.5
160.01578	31.5
161.02342	24.8
162.02739	1.4
163.03908	3.7
175.03929	29.2
176.04274	1.3
178.02524	1.8
179.03429	7.9
193.04987	13.5
219.13246	1.0
222.40314	1.0
429.10199	3.3
447.11484	3.2
561.99536	1.3
605.15192	12.9
606.15326	2.3
623.16205	28.8
624.16553	4.3
659.92114	1.0
799.20868	100.0
800.20984	23.8
800.34631	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	799.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75261	1.0
59.01234	3.6
65.21278	1.1
69.29305	1.0
70.80626	1.0
71.01247	4.2
71.33624	1.5
73.02811	1.6
84.60863	1.0
85.02814	2.7
87.00742	15.1
92.44476	1.0
99.00753	2.0
101.02331	3.6
108.02055	3.8
109.02856	8.3
117.02421	0.9
121.02792	2.7
122.03587	1.5
123.04398	6.0
134.03639	1.2
135.04362	1.5
137.02379	1.2
145.02867	2.2
146.03632	4.1
147.04430	6.6
151.00232	2.0
158.03729	1.1
159.04417	29.6
160.01733	1.3
160.05211	5.8
161.02336	7.4
161.04643	1.9
161.05951	10.2
162.03096	3.8
163.03889	3.2
173.02440	5.1
173.05997	9.7
174.03140	1.9
175.03882	8.7
176.04800	1.0
177.01834	1.2
185.05966	1.9
187.03847	2.3
189.05492	3.4
191.03465	1.4
193.05013	1.3
199.03882	2.7
203.03435	3.3
204.04250	2.8
205.04869	1.3
213.05573	4.5
220.98886	1.0
224.04713	1.9
225.05441	1.3
226.06345	1.2
227.07036	1.4
237.05591	2.3
237.09695	1.9
238.06261	3.0
239.07030	2.2
240.04340	2.4
241.05066	11.2
242.05695	1.5
245.79756	1.0
253.05034	4.6
253.08289	1.6
254.05867	9.6
255.06630	14.4
256.07376	43.6
257.07703	3.6
265.05090	4.0
266.05859	6.9
267.06726	5.9
269.08157	6.7
271.09763	27.1
272.10104	1.6
279.06592	2.8
280.07263	2.4
281.04532	8.9
281.08139	6.1
282.05295	14.9
282.08945	13.6
283.05975	3.2
284.06653	2.7
289.69220	1.2
291.06448	1.8
293.04559	2.0
295.06165	15.9
295.09567	2.8
296.06894	8.0
296.09738	1.8
297.07651	34.2
297.11310	15.6
298.08249	4.9
298.11609	2.1
299.09222	8.3
307.06009	6.5
308.07001	6.5
309.07294	1.2
313.03268	1.4
313.10886	6.4
315.08630	2.2
321.07581	1.4
323.09183	7.2
325.07083	5.6
339.08588	3.4
340.04507	1.4
341.10120	5.9
343.08060	1.4
357.09845	1.6
367.08252	9.2
369.05991	2.1
385.09262	1.7
411.07242	5.8
429.08014	9.2
737.23059	1.8
739.20526	5.6
763.21179	3.5
781.20972	2.8
782.19775	1.4
799.23041	100.0
800.23352	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	798.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.1
61.98705	100.0
62.48515	0.1
70.13690	0.4
78.95792	0.2
80.96428	0.1
119.04927	0.1
147.04408	0.1
147.84230	0.1
156.61694	0.1
211.13412	0.2
215.15627	0.1
225.11404	0.1
277.21732	0.3
293.21396	0.2
294.21506	0.2
647.95929	0.1
798.27216	0.1
798.41766	0.2
799.42743	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
58.23225	0.3
59.01257	4.5
61.98680	1.3
63.99162	0.4
70.69902	0.7
71.01245	3.8
73.02822	0.8
83.01244	0.5
85.02831	1.2
87.00763	6.3
89.02329	3.4
92.22159	0.4
93.03291	0.9
97.02828	0.6
99.00760	0.9
101.02310	1.4
107.52336	0.3
110.28988	0.4
113.02316	1.2
116.92745	0.9
117.03367	1.8
119.04938	0.5
123.04427	0.4
125.02323	2.2
130.99771	1.0
131.03424	0.6
132.02075	6.4
134.03633	17.8
134.04651	1.0
135.00763	1.0
135.03946	0.6
137.02357	0.5
146.03651	1.2
147.04381	1.2
149.02412	0.5
149.04482	1.2
149.05972	2.3
158.03644	0.7
159.04375	2.2
160.01576	26.8
161.02061	0.9
161.05977	0.5
165.05405	0.5
172.05165	1.4
173.05980	1.6
174.03127	0.6
174.06743	0.8
175.03928	48.5
176.04300	2.0
177.01923	0.5
178.02625	2.3
185.02350	0.5
185.05977	1.4
186.06731	0.6
187.03900	0.7
187.07594	1.2
188.04745	0.6
189.05479	0.9
191.03383	1.5
191.06990	0.4
193.04996	24.9
194.05315	1.2
196.05194	0.9
197.05913	0.6
198.03131	0.5
199.07613	1.0
200.04680	0.9
200.08321	0.6
201.05411	0.7
201.09189	1.2
202.06311	0.6
203.07079	0.6
210.03154	1.6
211.07605	0.9
211.13362	1.3
213.05434	0.7
214.06210	0.7
215.07053	1.7
215.10580	0.5
217.04945	1.6
217.08728	0.4
218.09496	0.4
225.05717	0.4
225.09094	0.5
226.02635	0.8
229.08714	1.1
235.05980	0.9
238.02548	2.2
239.03297	1.0
241.05197	0.5
243.10233	1.2
245.08203	0.5
251.03358	0.5
253.05011	0.8
254.02180	6.4
255.02574	0.7
259.06100	2.8
265.01379	0.7
266.02255	0.6
267.02951	3.0
268.03641	1.2
269.04535	11.9
270.04874	1.4
271.13449	1.0
278.03796	0.5
281.01566	0.7
281.04507	3.5
282.01993	0.6
283.06122	1.8
283.13361	0.8
289.14377	0.8
296.03357	0.6
297.04044	92.4
297.14813	2.5
298.04398	8.9
301.07480	0.5
311.05612	5.2
312.06393	20.7
313.06616	2.1
315.16058	1.4
321.09708	0.5
327.08737	100.0
328.05481	0.7
328.09085	10.7
339.16168	0.8
469.13498	22.6
470.13867	3.1
526.62555	0.4
568.25244	0.8
607.36768	0.5
779.32019	2.5
797.32941	7.3
798.32452	1.3
816.78638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.1
59.01247	30.2
62.26745	1.5
68.99686	1.9
69.20743	16.9
69.81168	1.8
69.88975	1.5
71.01254	33.5
72.99176	11.0
73.02828	6.0
75.00751	24.0
79.19094	1.7
83.01273	2.1
85.02824	34.2
87.00756	37.3
89.02325	9.0
89.03848	3.8
93.03335	3.6
95.01254	7.5
96.95934	2.0
98.20583	3.7
99.00771	19.6
101.02333	5.0
103.00244	3.4
108.02060	3.5
108.92302	1.5
111.00805	2.3
113.02341	40.2
115.00266	3.4
115.15908	1.6
117.01837	3.7
117.03361	5.3
119.04912	1.7
121.02888	3.6
123.04440	4.1
129.01863	3.4
129.11412	1.6
130.99763	4.4
131.03470	2.3
132.02075	4.5
133.02847	6.4
134.03636	76.8
135.04358	2.6
137.02357	2.7
139.00256	3.6
145.02914	3.8
146.03654	4.5
147.04437	8.2
148.05200	1.9
149.05925	9.1
150.03159	1.7
157.01317	2.3
159.04411	9.8
160.01572	20.3
160.09407	1.6
161.02299	5.2
161.05992	3.0
163.03967	1.8
163.07591	1.7
171.08112	2.2
172.05231	7.1
173.02380	5.5
173.05980	7.2
174.03085	8.7
175.02406	4.4
175.03879	23.5
175.07574	5.0
176.04433	2.2
178.02655	3.1
179.03412	2.4
185.06018	6.4
186.06749	4.7
187.03940	2.5
187.07617	6.5
188.04697	4.4
189.05464	2.2
189.09204	1.9
191.03438	6.9
192.04030	1.7
193.03510	3.3
193.05013	40.8
194.05563	2.3
197.06006	3.0
199.07608	4.2
200.04703	4.1
200.08301	3.3
201.05544	3.9
201.09161	8.3
202.02646	3.1
202.06256	3.9
203.07065	5.1
206.02278	2.6
209.06097	1.7
210.06619	2.1
211.07680	2.7
211.13373	7.9
212.08093	2.2
213.05513	3.4
214.06294	3.6
215.03516	2.8
215.07040	8.3
215.10693	2.9
216.04253	2.0
216.07930	1.9
220.03703	3.1
229.04990	3.4
229.08720	5.1
235.07788	3.0
237.05539	2.2
243.10228	6.4
249.06129	19.5
250.06218	3.2
251.07069	5.2
263.07166	3.2
264.07846	4.5
265.04947	3.6
267.07086	56.3
268.07364	3.2
271.13446	5.3
278.05865	2.0
279.06622	10.4
279.10162	4.8
282.08951	4.2
283.13531	2.1
289.14429	3.2
293.04642	4.0
293.08057	2.6
294.05508	3.2
294.08948	5.8
295.06046	2.8
297.14932	13.9
299.12802	2.0
305.04520	2.6
306.05170	2.1
307.06024	2.0
308.06839	4.1
309.07635	5.0
311.12991	2.4
311.16736	1.8
313.14417	2.8
315.15973	7.0
322.08606	2.3
323.05585	6.0
323.09225	11.0
338.07861	9.3
339.08603	3.8
339.16016	3.7
341.10330	5.4
353.10269	43.0
354.10590	5.1
371.11340	7.4
381.12149	2.1
425.10846	4.5
443.11914	100.0
444.12265	10.3
525.23431	2.6
541.17590	2.2
565.23151	3.3
568.24988	2.9
573.15894	2.2
585.16254	3.8
591.16882	8.2
593.25220	2.1
594.26947	1.9
603.17206	34.2
604.17401	6.4
621.18073	20.9
622.18518	5.3
661.17975	3.4
664.23889	3.3
718.13654	1.9
735.33136	3.0
761.22620	2.3
767.21619	24.2
768.22418	3.8
779.20172	28.6
779.33087	6.7
780.22113	7.4
785.44922	1.7
797.22711	40.0
797.33215	34.7
798.21332	12.4
819.12122	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	795.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
61.98724	0.4
71.01257	0.6
72.99158	0.3
73.02827	0.3
77.42714	0.3
85.02821	0.5
86.29779	0.2
87.00771	0.4
89.03844	2.6
98.19193	0.2
98.20649	0.5
106.04128	0.6
109.40302	0.2
109.83204	0.2
113.02339	0.9
117.03352	5.8
118.03749	0.4
132.02057	2.1
133.02859	6.9
134.03641	82.5
135.03984	3.4
137.02357	0.7
139.03903	0.3
143.03455	0.3
146.16415	0.2
149.05991	6.5
160.01578	6.5
175.03928	8.9
175.05467	0.4
176.04239	0.5
178.02649	2.7
181.30435	0.3
193.04997	100.0
194.05333	5.0
200.33788	0.3
229.55608	0.3
239.10751	9.7
240.11119	0.5
308.85785	0.3
515.19208	2.1
557.20215	0.5
575.21143	0.7
686.78900	0.3
751.26416	1.2
752.26306	0.5
753.43237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
61.98709	1.4
63.16271	0.3
64.41442	0.3
70.44249	0.6
70.44649	0.6
71.01256	1.1
72.99181	0.6
75.61329	0.3
85.02840	0.5
87.00751	1.0
89.02338	0.4
89.03841	1.7
106.04152	0.6
113.02346	1.3
117.03342	5.8
119.12518	0.4
123.04430	0.4
130.99707	0.4
132.02077	2.4
133.02856	7.4
134.03632	82.8
135.03960	3.6
137.02330	1.2
147.04456	0.5
149.05984	6.6
160.01575	8.3
175.03934	10.7
176.04294	0.8
178.02632	3.1
193.05000	100.0
194.05363	5.5
209.11819	0.3
239.10741	10.4
240.11092	0.8
314.75836	0.3
336.30759	0.3
376.18451	0.3
419.88477	0.3
473.05063	0.3
515.19171	1.0
524.60736	0.3
538.26666	0.3
575.21503	0.9
751.26331	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	795.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.8
65.04800	0.5
69.20007	1.2
69.20408	4.6
71.01249	3.6
71.04890	0.8
73.02809	0.6
83.07336	0.5
85.02810	2.3
87.00738	2.4
89.02307	0.6
93.03333	3.2
99.00779	0.7
99.92443	0.7
101.02341	1.6
103.40078	0.5
108.02067	1.0
109.02847	1.1
113.02322	2.9
115.26786	0.5
116.92746	5.8
117.01789	0.6
117.03342	1.5
119.04880	1.4
121.02850	12.6
122.03658	6.2
125.02288	0.7
132.02080	1.7
133.02843	1.9
134.03638	62.8
135.04253	2.4
136.01599	0.8
137.02342	7.7
139.03909	2.6
143.03389	0.9
145.02847	0.7
147.04401	1.0
148.05173	0.7
149.02361	21.5
149.05998	13.0
150.03142	49.9
151.03558	1.3
154.44469	0.5
160.01579	6.6
161.02196	0.7
161.04488	1.4
163.03972	0.9
164.04709	3.4
165.05496	44.9
166.05841	2.1
175.02510	0.8
175.03943	11.9
176.04266	0.6
177.01894	0.7
178.02649	21.9
179.03119	1.2
180.04222	3.6
192.04260	0.5
193.05000	100.0
194.05350	5.1
195.06575	28.1
196.06900	1.2
205.06543	0.9
209.11781	0.6
221.06081	1.2
233.06097	1.0
234.06813	1.4
235.07474	1.1
238.06238	1.0
239.07091	3.5
240.07530	0.6
250.06226	3.5
253.08734	1.6
254.09389	1.8
265.08658	0.8
267.06631	1.9
271.02573	0.7
282.08987	10.9
283.09363	1.0
297.07813	1.1
297.11151	1.0
309.07959	0.7
326.08176	0.7
341.10284	41.0
342.10553	4.6
371.11261	5.7
372.11826	0.8
389.12439	47.3
390.12793	4.7
405.13959	2.9
423.14975	1.4
599.19928	12.1
600.20319	2.1
795.27283	6.2
796.28107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.0
61.98705	13.4
71.01259	5.9
71.53661	2.8
71.54021	2.0
75.00742	2.5
78.95787	8.6
80.96391	5.0
81.03333	2.2
83.01285	2.3
83.04910	10.4
84.43648	1.8
85.02836	8.7
87.00730	2.0
89.02330	2.5
95.59033	1.6
97.02828	3.1
101.02335	3.5
109.06513	3.7
116.96070	1.7
118.43220	2.1
137.24532	1.8
139.72054	2.0
161.04361	1.6
162.35548	1.7
171.10207	6.9
177.12798	8.5
195.13986	3.5
197.11722	4.0
209.15776	1.8
221.11790	98.4
222.12169	6.1
223.13374	1.9
235.08249	3.3
239.12865	43.5
240.13286	3.2
241.01250	2.4
241.10873	2.3
253.09332	9.8
255.23251	4.6
277.21744	100.0
278.22086	9.9
457.20801	2.5
475.22180	8.5
610.98730	1.8
735.43182	12.2
736.43481	3.5
795.40399	8.8
796.39996	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	797.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40340	0.4
57.03320	3.2
65.03834	0.6
69.03312	0.9
70.35945	0.8
70.36322	0.8
81.03368	0.5
85.02846	0.6
87.00694	0.5
90.75479	0.4
97.06467	0.5
98.19843	0.5
101.02314	3.6
109.02820	1.2
119.04919	1.0
124.01604	0.5
134.03577	0.5
137.02348	3.2
139.03900	1.3
146.03633	1.0
147.04427	11.6
147.05589	0.6
148.05200	2.5
149.05966	1.2
159.04405	3.6
160.05235	0.9
161.05988	1.6
163.07561	1.1
172.05225	10.0
173.05991	13.6
173.09697	0.5
174.03134	0.5
174.06541	1.3
175.03835	1.3
175.07562	0.9
176.04707	4.0
183.04469	0.9
185.05989	0.9
186.06862	2.8
187.04024	2.0
187.07576	10.3
188.08315	1.7
189.05515	4.0
189.09119	4.6
191.03430	0.6
192.04257	1.5
196.05286	0.7
197.06010	5.7
197.86073	0.5
198.06735	2.7
199.07570	1.2
199.11247	0.5
200.04692	1.0
201.05515	6.3
201.09135	23.4
202.06168	0.6
202.09517	1.9
203.07036	1.0
203.10678	0.5
204.04254	1.2
204.07878	12.9
205.08345	0.8
209.09650	0.9
211.07599	0.9
212.08408	1.1
214.06331	0.5
215.07077	11.0
215.09015	0.8
215.10559	0.8
216.07855	12.0
217.08203	0.6
217.12202	2.5
225.09196	3.3
226.09767	0.6
227.10727	27.9
228.11124	2.3
229.08597	2.4
236.03217	0.6
243.10226	1.2
245.08199	0.7
245.11797	21.8
246.12134	1.4
258.17691	0.5
260.06943	0.9
271.02383	0.6
271.09720	4.6
272.09879	0.5
289.10797	22.4
290.11255	1.9
300.02689	1.3
333.09784	100.0
334.10107	10.2
343.08316	0.5
463.08810	0.8
574.57416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.2
61.91932	2.9
71.01259	7.9
71.53661	3.8
73.02824	3.0
85.02818	5.3
91.26356	2.5
93.03355	4.3
101.02315	8.1
109.02812	6.7
121.02850	11.8
121.08844	2.9
123.00739	5.9
125.02341	4.7
133.42339	2.6
137.02359	16.2
138.03137	9.5
142.44557	2.7
146.03656	5.5
147.04424	9.7
148.78413	2.9
152.04639	4.1
153.05469	4.9
159.04439	100.0
160.05194	18.4
161.02396	3.4
161.04675	4.7
161.05989	25.8
163.03986	2.9
173.02304	3.7
173.05986	40.9
174.06441	2.9
175.03874	5.5
187.03938	8.7
191.05563	3.5
203.03421	8.8
209.04539	3.5
223.07828	4.8
228.04332	4.0
239.07202	3.8
241.08603	4.2
249.05510	9.8
250.06006	5.6
251.07132	28.6
253.08736	3.4
256.03699	3.1
267.06732	4.9
269.08163	8.1
271.06116	5.3
271.46738	2.8
277.05069	25.0
278.05533	4.6
279.06577	19.7
280.06973	3.2
281.04456	4.5
282.05258	8.6
288.99847	2.8
293.04572	4.2
294.05499	4.6
295.05945	16.9
296.06461	3.2
297.07684	53.6
298.08078	4.9
299.09213	5.6
305.04514	13.0
306.05399	3.4
309.07813	2.9
310.08347	5.7
311.09283	6.4
311.64008	2.8
312.10034	34.2
313.10449	5.2
321.04077	6.6
322.04721	13.3
323.05692	24.9
324.05984	4.1
325.10767	8.2
327.12332	58.5
328.12637	6.5
336.06320	4.5
337.07095	18.9
338.08029	31.9
351.08777	10.8
353.10300	50.6
354.10669	5.4
371.11319	31.8
379.08325	3.8
397.09311	25.3
398.09595	4.0
415.10431	6.1
416.10364	3.5
423.07281	20.6
709.23389	9.2
753.22516	18.1
779.20648	33.6
780.20386	4.9
797.21350	75.7
798.21832	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	795.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.2
61.98703	1.8
71.01244	6.5
73.02823	2.4
83.95918	1.3
85.02833	2.8
87.00742	3.9
89.02330	2.1
91.01778	4.6
93.03367	2.8
94.19814	1.3
98.19746	2.7
99.00767	1.7
101.02311	4.2
108.02037	6.3
109.02865	12.0
113.02306	2.9
117.78268	1.4
121.02831	5.1
122.03625	3.4
123.00764	3.4
123.04441	8.7
125.02386	2.4
126.56870	1.6
130.04163	1.7
131.04922	2.0
133.02872	1.5
134.03622	3.2
135.04405	3.0
137.02341	5.8
138.03093	2.9
139.24742	1.7
143.04958	2.2
145.02838	1.8
146.03619	6.3
147.04446	9.5
150.03183	1.3
151.03922	1.9
158.03632	1.7
159.04431	100.0
160.05214	22.3
161.02312	5.1
161.04565	3.0
161.05984	24.7
163.03914	4.7
171.04401	2.3
172.05255	3.8
173.02328	4.8
173.06004	41.6
174.03082	2.4
174.06335	1.8
175.03902	4.7
185.15865	1.5
187.03964	8.2
191.03409	3.4
197.06058	1.9
199.03902	6.2
203.03445	7.8
204.04156	4.8
211.07526	1.7
213.05566	2.4
217.01428	3.3
219.06612	2.6
235.07611	2.4
237.05615	1.8
238.06166	1.5
239.07127	3.1
240.04169	1.5
241.05046	10.7
242.05504	1.6
249.05623	3.5
250.06335	3.0
251.07150	10.5
252.07498	2.4
253.05005	5.5
253.08630	1.7
254.05759	2.3
255.06631	1.9
256.07352	3.4
261.05399	3.2
262.06198	3.4
263.07187	4.5
264.04538	1.5
264.07834	4.2
265.05075	5.2
265.46515	1.6
266.05981	7.1
267.06610	23.6
268.07104	4.0
269.08276	4.9
277.05081	7.2
278.05780	3.5
279.06607	15.8
280.07272	9.7
281.08188	15.4
282.05740	3.6
282.08932	46.5
283.06094	1.7
283.09305	4.3
289.05090	3.3
290.05670	4.0
291.06592	4.2
292.07541	2.0
293.04510	4.1
294.05374	2.3
295.06094	5.1
295.09775	7.7
296.10602	1.8
297.07709	11.3
297.11298	45.9
298.11649	4.2
305.04590	5.5
306.05243	6.3
307.06140	32.0
308.03653	2.6
308.06882	33.8
309.07269	3.4
312.09961	8.8
321.07651	10.9
322.04770	2.1
322.08044	2.0
323.05573	5.7
323.09192	49.2
324.09607	4.2
327.12442	12.0
328.12640	2.3
337.07321	3.8
338.07855	6.5
340.50809	1.6
341.10300	18.5
343.08130	4.1
349.07016	4.1
351.08640	1.7
353.10406	10.7
367.08246	19.2
371.11438	8.9
385.09225	6.0
393.06302	12.3
394.06430	2.0
397.09198	5.8
400.99771	1.5
411.07199	2.5
423.07211	3.2
507.07275	1.7
679.22809	2.8
707.25165	8.2
751.24683	20.8
752.24738	3.3
777.22675	31.7
778.22913	7.4
795.23541	68.4
796.23706	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	791.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	92.7
62.55414	20.2
71.01257	28.1
71.59693	18.3
78.95779	21.8
79.27849	19.3
98.99855	20.9
170.55188	21.5
200.77306	19.3
203.10754	21.5
209.11749	91.1
214.69324	19.1
227.13000	18.3
253.09325	22.4
272.16245	21.4
277.21799	91.7
279.19675	68.8
279.23203	100.0
279.96140	20.9
282.88052	21.5
293.21173	71.8
298.82205	22.4
343.08200	28.4
373.91299	20.9
408.68466	19.2
447.25085	45.8
516.47742	24.3
738.69238	22.3
791.43347	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94151	0.2
59.01252	0.7
61.98712	1.3
69.56649	1.2
71.01256	0.5
73.02821	8.4
74.02326	0.2
75.00768	1.2
87.00735	0.5
89.02323	0.3
91.62125	0.2
99.00750	1.8
99.92466	9.9
100.92484	0.4
101.02306	0.2
113.02258	0.3
114.93312	0.5
115.00212	0.2
116.03453	0.4
116.92752	100.0
116.97113	1.1
117.01828	15.6
117.92755	4.7
119.03416	0.2
124.43599	0.2
132.49010	0.2
253.09286	0.2
277.21747	0.5
278.22284	0.2
397.13513	0.8
817.10699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4417
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03329	5.7
59.01257	7.0
59.45735	0.9
61.98705	7.1
67.01762	1.3
68.99662	1.5
69.03314	1.5
71.01257	8.9
72.99181	5.5
73.02845	1.1
75.00748	44.3
76.01105	1.6
76.34687	0.8
80.96390	1.5
83.01262	1.1
83.54772	0.9
85.02827	28.9
87.00755	6.5
87.01192	1.0
89.02316	2.1
90.13479	0.9
95.01250	3.7
95.04914	0.9
95.92436	0.9
96.95886	1.8
98.20570	2.0
99.00756	3.7
101.02312	2.3
105.01820	1.0
112.01565	1.9
113.02330	14.5
115.00255	1.7
121.02859	1.7
129.01794	1.7
130.99823	1.0
134.03726	1.1
147.04420	2.3
157.01237	1.2
201.11243	2.8
209.11746	6.0
211.13377	1.0
227.12842	1.7
253.09198	2.6
267.44214	1.0
293.21259	6.1
314.12790	0.9
343.08252	1.3
445.21173	1.2
455.35223	9.4
456.36087	1.6
497.36447	2.0
509.36462	2.0
569.38599	5.2
631.38562	20.7
631.48657	0.7
632.39026	5.5
673.39581	1.6
713.42261	1.2
793.43793	100.0
794.44196	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	795.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
59.01248	22.6
61.98705	4.3
71.01262	11.2
71.54480	2.6
72.99645	2.2
73.02835	3.2
83.04900	2.0
85.02823	4.9
87.00752	40.9
87.70376	2.0
88.01621	2.2
89.02344	2.8
93.03318	5.4
94.39129	1.9
96.95896	2.1
99.00757	5.6
101.02343	4.0
109.02840	2.7
111.00751	3.4
113.02309	7.1
116.92735	4.0
119.04950	6.8
121.02854	4.3
123.04429	3.4
125.02360	2.2
130.99767	8.6
134.03632	8.7
135.04379	4.4
137.02332	3.6
146.03616	2.6
147.04437	10.0
149.02347	5.4
149.05969	4.1
159.04439	3.2
160.01579	3.6
161.02402	3.2
161.09711	2.3
162.34732	2.1
163.03799	3.7
164.04716	3.4
169.83420	2.1
172.05235	2.3
173.04538	3.0
173.05974	2.7
175.03909	8.1
175.07512	3.6
177.01880	4.6
185.05963	2.2
186.06711	2.4
187.03981	4.6
187.07489	3.1
188.04813	2.5
189.05534	3.3
189.09163	2.2
189.40048	2.3
191.03542	2.3
193.04918	10.0
197.05936	2.5
199.07574	3.0
201.05556	3.6
203.07135	2.6
211.13409	2.5
215.06923	2.1
219.02838	2.6
223.06096	3.0
255.02930	2.5
271.13416	2.4
297.14722	1.9
300.02771	2.3
313.14270	2.4
343.08435	3.6
364.69891	2.5
547.10974	2.8
566.23718	2.8
619.15979	2.9
649.38922	3.2
663.15009	11.8
677.09070	3.9
689.12921	21.1
690.13623	4.4
707.13879	6.4
715.12018	4.2
733.11945	13.0
751.13257	20.5
752.13379	5.4
759.09479	3.1
759.22638	2.8
777.11047	100.0
777.23608	5.0
778.11469	25.2
795.12115	28.7
795.30243	13.7
796.12482	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	795.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48416	1.5
59.01259	2.0
63.35889	1.4
70.55463	4.7
71.01252	5.6
73.02825	2.5
85.02820	4.0
87.00761	2.5
91.01760	5.8
95.01277	2.0
101.02319	4.5
103.73665	1.5
104.75211	1.6
108.02060	12.3
109.02861	11.7
111.00797	2.3
112.11007	1.6
113.02317	3.9
121.02831	3.2
122.03596	4.1
123.04401	9.6
124.60297	1.4
131.04903	3.8
133.02843	1.8
135.04449	2.6
137.02263	4.8
143.04948	3.5
145.02917	2.3
146.03625	5.8
147.04445	8.8
156.03519	1.4
158.03636	2.2
159.04433	100.0
160.05215	23.9
161.02309	4.1
161.04669	1.3
161.05998	27.9
163.03883	4.3
172.05147	2.9
173.02345	5.1
173.06001	48.0
174.03259	1.7
174.06329	3.7
175.03883	2.6
185.02364	2.0
187.03967	9.1
191.03508	2.4
191.05487	2.2
193.04938	2.4
199.03923	5.8
203.03514	5.3
204.04112	3.9
211.07536	2.5
213.05522	3.2
217.01376	2.7
219.06612	2.5
225.05502	2.0
229.01410	2.9
238.06197	1.8
239.07196	3.8
241.05055	13.9
249.05415	1.9
250.06296	1.7
251.07086	4.6
253.04990	6.6
253.08740	1.9
254.05827	2.9
256.07300	3.9
261.05481	2.2
262.06274	3.8
263.07092	5.1
264.07559	2.8
265.05078	4.0
266.05914	8.1
266.08490	1.7
267.03943	2.6
267.06616	29.9
268.07053	4.1
269.08160	3.2
277.04993	2.8
278.05771	4.3
279.06659	17.3
280.07288	12.2
281.08206	24.0
282.08975	55.3
283.09406	3.3
289.04971	3.1
290.05893	4.1
291.06558	3.3
295.06635	2.2
295.09631	9.6
297.07922	3.0
297.11334	60.1
298.11591	7.0
305.04526	2.0
306.05273	7.8
307.06091	37.9
308.06870	37.9
309.07248	4.6
313.06815	1.7
321.07593	10.6
323.05383	2.5
323.09232	48.3
324.09656	5.1
329.03363	1.7
341.10352	24.3
349.07150	6.3
359.70602	1.7
367.08234	24.0
368.08392	2.3
383.15372	2.1
385.09171	7.5
393.06189	16.9
394.06256	1.9
411.07098	2.1
648.86475	1.7
679.22424	2.5
707.25073	6.3
751.24268	14.4
752.24957	5.4
777.22528	31.4
778.22839	7.0
795.23499	74.1
796.23859	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	789.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	6.6
56.79883	6.9
59.01238	18.0
65.00195	9.1
67.01743	9.3
69.37580	56.6
71.01252	15.2
75.00743	11.1
80.80637	5.9
83.01308	7.5
86.20661	6.1
87.00765	6.5
89.02359	6.8
93.03330	18.6
95.01257	19.9
98.19833	12.0
99.00766	21.6
107.01245	12.7
108.02036	7.8
109.02845	25.5
111.00759	17.1
115.00323	6.4
118.10451	9.3
121.02838	6.7
123.00754	20.6
125.02333	13.1
127.00264	10.1
133.02863	8.5
137.02361	18.1
139.00287	26.9
143.04898	8.4
147.04385	8.7
149.02367	9.0
149.05983	10.1
151.00293	34.7
152.01019	14.9
153.01843	13.3
154.99756	35.7
159.04425	21.1
161.02330	8.7
163.00259	10.5
164.00989	7.7
165.99071	12.3
166.99728	28.7
169.01308	7.5
171.04329	8.1
173.04469	12.6
174.03156	12.8
175.03888	14.4
177.01904	18.2
178.99792	32.7
181.01352	17.0
184.00070	11.9
187.03969	18.5
189.01874	9.6
190.02524	9.2
190.99742	7.2
191.05542	8.0
193.01311	10.4
193.04973	13.7
194.99306	19.4
201.01791	8.9
203.03448	23.3
205.01382	11.6
205.07135	7.3
207.02820	9.1
209.19545	7.2
213.01852	10.1
215.03482	19.5
219.02867	14.8
229.01237	8.5
231.02948	26.7
241.01410	7.9
243.02951	32.7
244.03021	8.3
258.01776	8.1
259.02502	33.5
270.01709	7.5
271.02472	24.0
275.01923	15.0
286.01221	8.5
287.01974	100.0
289.02957	6.8
299.02020	14.6
300.02774	16.3
303.01514	18.7
313.00076	17.1
314.00452	8.8
315.01459	67.2
316.02130	16.4
317.02942	11.6
331.00922	69.7
332.01489	13.0
349.01501	6.8
416.32889	7.4
458.02353	6.5
494.36841	6.8
595.13080	7.5
607.18359	8.0
633.16742	16.9
653.15771	14.8
717.20380	7.1
741.18005	8.7
745.18567	9.5
771.16913	15.0
789.17712	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.7
61.98691	6.1
71.01244	3.5
73.02812	2.3
75.00752	12.4
80.04925	5.4
85.02811	2.1
87.00764	10.1
91.05426	2.5
94.06488	3.3
96.95925	2.7
104.04976	2.7
106.06473	2.9
107.03667	5.5
109.02887	2.9
113.02361	3.4
119.04887	2.7
120.08092	2.5
121.02851	2.9
121.05204	2.1
122.06008	44.5
129.01843	2.7
132.04425	3.3
134.03641	3.6
134.05997	16.1
137.02365	3.1
139.16489	1.7
147.02917	2.3
147.04442	4.8
149.06012	2.2
152.01088	2.8
152.07088	55.8
160.03911	2.6
160.06358	6.2
165.03958	11.8
174.05486	2.8
187.07512	3.0
190.02594	2.2
190.04979	4.3
192.04182	2.8
193.04967	2.7
209.11801	7.5
213.10295	22.6
226.11052	1.7
237.10309	2.6
239.11877	19.0
241.13429	11.6
245.12976	8.6
251.11790	3.4
253.09236	2.5
265.09888	2.3
267.11365	3.2
268.11682	2.0
269.00159	2.0
279.06558	3.0
282.08963	3.7
283.02402	2.4
285.12476	62.3
286.12766	6.7
293.12933	11.1
295.10840	6.8
313.03613	5.6
316.14542	3.9
323.05630	1.9
323.10168	7.5
325.11691	2.3
328.10858	4.8
338.07938	3.7
340.14420	2.8
341.10568	3.1
342.07446	4.4
343.08191	11.8
343.12906	3.5
343.21188	3.1
344.13898	4.6
353.10254	25.9
355.12927	5.9
356.13412	2.4
356.17703	3.3
357.14850	5.3
358.15604	19.5
359.15967	5.1
372.17297	3.9
384.13406	8.5
398.14746	3.8
399.86795	2.2
400.16711	17.4
401.16901	3.8
412.16806	10.6
426.14474	2.3
445.15860	2.3
523.23651	4.1
524.23999	3.4
565.24500	30.9
566.25031	7.0
581.24182	3.2
591.22858	2.9
609.23547	100.0
610.23615	19.3
623.25305	3.5
641.26141	58.1
642.26550	10.2
757.26898	16.2
758.27655	2.7
771.22101	4.4
789.29846	48.3
790.31049	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	787.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.5
61.98706	1.4
63.83353	0.4
69.39813	3.4
71.01260	1.9
73.02827	1.2
75.00752	0.6
79.95609	0.8
80.96400	1.9
81.03304	0.5
85.02837	1.4
87.00771	1.9
89.02335	0.9
93.03339	3.7
98.19865	1.0
101.02314	1.4
108.02080	0.7
109.02850	0.8
113.02334	1.2
116.84951	0.6
117.03309	0.6
121.02849	7.5
122.03635	12.5
123.00804	1.0
123.04421	0.7
124.01563	1.0
125.02309	0.7
127.10372	0.5
132.02078	0.7
133.02876	1.6
134.03638	1.6
135.04393	1.9
136.01567	10.5
137.02357	3.1
147.04433	1.9
149.02350	16.5
149.05966	1.2
150.03136	83.9
151.00307	3.4
151.03935	13.7
152.01041	1.0
161.02364	0.8
161.04503	0.7
162.03152	1.7
163.03944	1.3
164.04701	3.4
165.05490	100.0
166.02635	8.7
166.05827	5.1
167.03421	0.6
173.02434	0.4
173.04459	0.6
175.03946	2.4
177.01871	0.9
177.05479	1.1
179.03346	0.5
180.04218	6.4
181.04991	10.2
182.05283	0.6
189.05484	0.7
190.06281	1.2
191.03430	1.1
191.05510	0.8
192.04247	0.5
193.05019	2.2
195.06567	86.1
196.06937	5.9
205.05067	0.7
205.08640	0.6
221.08131	0.6
225.00729	0.6
227.03436	0.6
271.02548	0.8
271.05652	0.5
284.03217	0.7
285.03958	0.6
299.01990	0.5
329.10300	0.8
333.09802	1.2
342.11005	1.2
343.08139	1.2
357.09650	3.2
357.13483	7.7
358.13748	0.9
369.13391	0.7
372.12039	2.1
387.14493	28.0
388.15085	3.6
535.19678	2.7
553.20441	1.0
583.21893	13.0
584.21918	2.4
587.15875	0.6
787.35669	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	791.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.9
62.78663	1.1
63.02262	6.1
65.00195	8.1
70.18919	0.9
71.01255	2.7
71.53194	1.5
83.01260	6.6
87.00748	2.6
93.03342	2.7
94.95806	1.0
95.01256	3.4
103.50150	0.9
107.01276	17.5
107.79762	0.9
108.02070	2.5
109.02820	3.2
111.00752	2.3
113.02309	1.2
119.04955	1.6
121.02854	2.6
123.00749	4.1
123.04376	1.4
124.01566	8.6
125.02325	3.8
133.02806	1.4
134.03619	5.5
137.02315	3.5
139.00330	1.3
145.02875	1.4
147.04399	2.7
149.02341	4.4
149.05956	1.8
150.03047	5.6
151.00281	54.0
151.03795	1.3
152.01074	19.7
153.01834	1.9
159.04408	2.3
160.01595	1.2
161.02364	1.3
161.05879	1.2
163.00270	8.0
163.03918	2.8
164.79976	1.0
165.01834	1.2
165.05409	5.3
167.30995	1.1
169.01340	9.5
171.04398	2.5
173.05951	1.5
175.03880	2.5
177.01822	1.7
177.05528	1.1
178.02661	1.7
178.99783	56.7
180.00085	3.2
180.04164	1.0
180.07072	1.3
181.04802	1.0
191.05531	2.9
192.00525	1.9
193.01355	7.0
193.05005	5.4
195.06499	2.4
199.03882	4.7
203.03354	1.4
207.02654	1.0
226.02681	1.4
227.03447	40.5
228.03883	2.4
242.02115	2.4
243.02972	6.5
243.10211	1.2
255.02922	4.7
269.01166	2.1
270.01608	2.0
271.02451	9.7
272.02811	1.1
277.05075	1.7
282.08759	1.2
283.02512	2.7
285.87473	1.3
295.02496	2.6
297.00558	1.2
297.11285	2.2
299.01947	3.5
300.02744	10.0
301.03394	11.1
304.07278	1.5
308.06891	1.6
313.03149	1.2
317.04797	1.4
318.05280	1.4
328.06140	1.5
329.04913	1.3
340.47696	1.1
341.10144	1.9
345.03809	1.4
346.04706	1.4
347.05338	1.9
349.03436	1.2
361.03406	2.6
361.16653	1.7
373.03287	2.1
374.03876	1.2
375.05191	2.1
389.12228	2.3
391.17511	1.4
401.02740	1.7
402.03360	2.0
403.04456	1.6
418.07367	1.4
419.03412	5.4
433.05673	2.8
434.06219	3.7
437.08609	1.7
447.07355	6.2
449.08682	3.4
463.08972	1.4
539.22382	2.2
599.15051	2.2
629.09351	29.8
629.20618	1.6
630.09827	5.7
635.78271	1.3
791.14526	100.0
792.14777	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	787.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	25.6
61.98709	34.2
69.03333	8.6
71.01257	20.0
75.00744	4.7
77.81779	3.1
84.02040	4.1
85.02853	7.5
87.00766	15.9
88.98697	4.9
89.02320	7.6
96.95883	41.3
97.06476	10.0
99.00801	3.6
101.02316	8.4
103.55058	4.1
108.02047	24.1
109.02828	7.0
113.02319	8.4
116.92751	6.0
121.02881	5.1
123.04409	27.8
127.07410	3.4
134.03654	7.6
135.04442	8.8
135.33832	3.8
137.02315	5.0
147.04427	7.6
148.57167	4.0
153.05495	6.3
159.04388	4.7
163.03891	3.5
171.10182	16.2
172.05154	9.1
174.06703	4.0
183.13840	66.9
187.07558	7.5
193.04962	8.5
193.12282	10.9
195.04489	5.0
199.03883	4.0
199.07596	5.1
209.11754	17.0
211.03961	5.6
211.13400	13.3
213.05582	4.2
225.11157	4.7
225.14941	16.3
227.12794	6.6
229.24013	4.4
235.08252	5.3
240.04015	4.8
243.10298	7.4
249.09224	32.5
253.09328	11.6
257.04581	7.8
258.05194	4.9
268.03796	6.2
269.04395	4.0
287.09140	4.8
301.10776	15.9
309.07590	11.9
313.03415	5.5
339.10141	6.8
341.11899	8.2
341.23264	44.4
343.08194	7.1
357.06219	5.3
358.06711	4.7
359.07730	4.2
366.11160	6.4
400.12909	4.6
401.10199	4.8
415.15503	60.9
416.15692	6.9
507.18091	86.3
508.18280	23.2
539.20831	75.3
540.21265	17.2
573.17621	4.7
699.24536	4.6
787.31573	6.2
787.44983	100.0
788.45099	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	788.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
59.80609	0.8
61.98702	43.0
68.93971	0.8
69.37299	6.6
93.03355	1.9
98.19839	1.6
123.22773	0.9
132.02121	0.8
135.00662	1.1
137.85568	0.8
149.05992	0.9
151.00279	4.1
152.01117	1.0
154.45387	0.8
163.00330	0.7
169.01431	0.9
178.99783	2.6
187.05630	0.7
191.18942	0.8
193.04993	1.2
211.03862	1.3
227.03465	20.7
229.05103	2.2
255.02980	42.6
256.03638	6.9
257.04636	2.9
272.85025	1.0
283.02396	1.5
284.03262	100.0
285.03973	32.5
286.04364	3.1
327.05048	1.4
346.24930	1.0
459.07437	0.9
610.65619	0.9
725.19348	67.3
726.19635	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	787.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
59.01254	4.5
61.98708	1.2
63.32832	0.7
69.30978	4.8
69.31386	1.7
71.01260	2.5
85.02848	2.2
87.00767	3.2
89.02326	1.0
93.03371	4.4
95.01270	1.1
96.95859	0.9
98.19770	1.5
99.00806	1.1
101.02332	1.1
108.02055	1.8
109.02826	3.5
111.00757	1.0
113.02363	1.4
117.03326	1.2
117.66788	0.8
119.04932	1.0
121.02837	16.4
122.03641	18.0
123.00756	2.5
123.04402	2.7
124.01527	1.0
125.02358	0.9
132.02065	1.6
133.02829	3.2
134.03641	3.4
135.04422	8.4
136.01566	22.8
137.02379	6.0
139.03853	1.3
147.04411	5.3
149.02345	28.1
149.05968	2.5
150.03133	100.0
151.00316	6.8
151.03928	31.3
152.01048	2.5
152.04398	1.0
153.01830	1.1
154.02675	1.1
160.01616	1.3
160.05188	1.6
161.02299	2.0
161.04485	0.9
161.05948	1.1
163.03891	3.6
164.04720	7.3
165.05486	98.9
166.02626	18.3
166.05765	5.6
167.03459	4.1
172.05215	1.4
173.05948	1.0
175.03928	6.4
176.04625	0.9
177.01886	1.8
177.05527	1.6
178.02635	1.0
179.06969	1.0
180.04207	7.3
181.04987	21.8
182.05388	1.3
189.05545	4.6
190.06288	7.9
191.03539	2.0
191.05536	2.8
193.04993	2.7
195.06566	71.2
196.06921	2.9
196.46935	0.9
205.05034	1.2
205.08592	1.6
220.07242	0.9
221.08188	1.5
253.05029	2.5
266.05737	1.4
282.05249	1.8
284.03329	1.2
285.03931	1.4
299.01886	2.2
315.08749	2.4
325.07080	1.5
329.10303	3.0
333.09637	2.2
341.10226	1.4
342.10986	2.2
343.08276	2.1
343.11984	1.4
355.12161	1.1
356.12610	2.5
357.09671	5.0
357.13498	11.1
358.14047	1.4
372.12106	5.0
373.12686	2.6
386.13626	2.5
387.14505	56.8
388.14789	8.6
490.16309	1.6
505.18756	3.0
506.18973	1.2
517.18658	1.1
535.19739	68.9
536.20081	15.0
553.20856	2.0
565.20245	1.5
583.21869	37.4
584.22150	6.7
599.65326	1.0
703.59644	0.9
787.37561	1.5
788.27893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
61.98705	100.0
62.98427	0.2
80.96400	0.4
110.29957	0.1
170.08723	0.1
171.10196	0.1
209.11842	0.1
210.12144	0.1
277.21667	0.3
278.21918	0.2
289.18143	0.2
605.96143	0.1
787.39709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98419	0.2
65.65274	0.2
71.01292	0.2
78.95792	0.4
80.96409	0.6
87.00780	0.2
94.97945	0.2
277.21756	0.4
278.22159	0.3
354.91608	0.1
365.38202	0.2
387.20114	0.2
726.50366	0.2
748.66266	0.2
786.41724	0.3
787.40308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01248	15.9
61.98685	5.4
69.03336	1.0
69.48743	7.3
71.01263	6.8
72.99174	1.1
73.02827	2.4
83.01283	2.0
85.02829	4.4
85.99990	1.3
87.00751	5.4
89.02283	1.1
91.62673	1.0
96.95867	3.0
100.03922	9.5
101.02323	3.2
102.05508	2.1
113.02321	1.9
115.93596	1.0
116.61467	1.0
130.99744	1.2
134.03667	2.5
135.04433	1.3
142.98936	1.0
147.04390	2.6
149.05992	1.8
175.03821	1.2
193.05048	2.5
197.11859	2.2
201.05692	1.4
201.09140	1.3
209.11775	2.9
211.03825	1.2
211.13385	1.5
240.04276	1.1
253.09184	1.3
267.03137	1.7
341.23145	1.6
343.08191	3.2
355.15625	1.4
417.33557	2.0
435.34903	4.0
443.13318	1.2
579.38922	5.2
597.40210	15.0
598.40137	2.9
639.40991	4.1
640.40900	1.1
646.16943	1.9
682.45667	1.6
690.16046	1.2
700.46368	2.7
742.47455	100.0
743.47662	20.2
786.41522	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	787.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.9
59.49084	0.7
61.23466	0.9
61.98717	5.0
65.03818	0.7
68.34907	0.8
70.79782	1.4
70.80099	1.3
71.01270	3.1
83.01292	0.8
83.04919	1.3
87.00767	2.9
88.98685	1.1
96.95913	1.8
98.19960	0.9
101.02325	1.1
101.86768	0.7
108.02060	13.7
109.02854	4.9
109.06429	0.8
119.04825	0.9
121.02853	2.8
123.04410	17.4
133.02856	2.6
134.03705	2.3
135.04417	12.3
137.02367	1.6
138.03156	2.6
139.04010	1.3
147.04448	2.7
149.02380	3.9
149.06030	1.1
151.03915	1.5
153.05481	4.5
163.03947	1.7
163.11148	1.0
164.04686	4.3
171.10155	2.6
172.05321	1.0
179.07072	8.0
183.13844	11.6
186.06824	1.1
187.07468	1.5
191.07214	0.8
193.05025	0.9
197.11880	1.4
209.11763	4.3
211.03955	0.9
211.13359	1.3
213.05426	0.9
223.07619	2.4
225.09224	0.9
225.14867	1.9
227.12796	1.4
235.07861	1.0
237.05516	2.9
240.04356	1.3
241.05019	1.1
243.10210	1.1
249.05405	1.0
249.09186	20.1
250.06241	1.9
250.09505	2.4
253.04936	1.1
253.09245	2.8
254.05881	1.1
255.06432	1.5
263.07141	1.4
266.06216	1.0
267.03232	0.9
267.06519	3.4
268.03732	1.2
269.04489	2.2
281.04645	1.0
283.06299	1.5
289.18054	0.8
294.05383	1.2
301.10876	9.6
302.11526	0.9
309.07779	3.1
309.20837	0.8
312.02951	1.1
315.10211	1.3
327.10309	1.7
339.10156	1.4
339.15863	1.1
340.11069	1.2
341.11850	15.5
341.23099	4.8
342.07904	0.9
342.12354	2.3
343.08362	1.2
353.11725	1.7
358.06921	1.4
366.10809	1.1
373.14371	10.7
400.12933	1.2
401.10199	1.6
405.09634	0.9
415.15552	13.8
416.15811	2.2
487.10266	1.2
505.11258	3.6
507.18115	12.5
508.18723	1.7
539.20764	100.0
540.21021	17.8
549.10492	2.7
646.16595	1.1
690.15961	1.0
743.25098	2.5
787.45306	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	783.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	8.9
61.98706	9.6
65.19004	1.4
71.01260	6.4
76.89635	1.5
78.95757	1.6
80.96391	4.9
83.04884	1.8
85.02839	1.7
89.02325	3.3
98.20642	4.1
101.02321	3.8
105.13754	1.6
113.02320	2.4
115.74436	1.7
122.26075	1.7
126.49054	1.8
148.64162	1.6
152.99571	2.5
161.04448	2.5
161.05881	1.4
165.77577	1.7
168.69824	1.8
183.13818	6.4
195.13837	3.1
209.11763	21.4
211.13344	100.0
212.13748	4.7
223.13409	2.4
224.45782	1.9
227.10704	1.6
227.12856	4.5
230.25586	1.9
235.08115	3.9
253.09322	15.5
271.15588	2.4
275.20102	5.6
277.21756	25.3
278.22162	4.0
280.14911	1.6
293.21234	56.3
294.21652	7.9
354.40030	2.2
447.22330	7.9
507.35956	1.7
589.61176	2.0
693.52509	1.7
783.43835	6.0
784.46033	2.2
790.03827	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	783.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.7
61.58760	1.1
61.98706	18.3
66.74217	1.0
71.01258	9.0
71.53431	1.6
73.02824	2.9
78.95739	2.2
78.98468	3.6
79.95599	8.8
80.96392	57.2
81.03324	1.3
83.04896	2.8
85.02833	2.4
87.00778	2.3
89.02330	3.5
94.97952	11.2
99.72493	1.1
101.02309	4.7
106.97948	2.1
117.83021	1.1
121.37506	1.1
122.97464	2.9
125.02366	1.7
125.05959	1.3
134.97470	3.5
148.98994	4.5
152.98500	4.1
161.04459	1.8
163.11183	2.6
164.98540	10.2
165.12788	2.5
183.63472	1.1
185.11771	1.3
199.13307	2.2
206.99658	2.7
209.11771	72.1
210.12086	5.2
212.11789	1.2
225.00742	17.7
227.12843	11.2
235.08241	5.9
253.09216	7.8
277.21719	100.0
278.22034	6.5
341.73615	1.5
483.15640	2.5
527.17645	1.4
537.26788	2.1
566.17529	1.4
616.05389	1.4
739.39191	3.3
769.25537	1.3
783.42017	68.1
784.41949	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	785.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
61.98708	2.9
62.98321	0.4
71.01254	0.4
71.07137	0.3
71.53503	0.4
75.00732	0.5
87.00705	0.4
91.01772	0.6
95.01239	0.4
105.01803	0.4
113.02339	0.5
121.02847	100.0
122.03168	2.7
136.01552	0.6
165.01848	2.5
180.05986	0.4
181.06497	2.0
184.00006	0.4
191.03474	2.4
197.11824	1.1
209.04506	61.3
209.11795	1.1
210.04773	3.6
211.13307	0.6
223.13409	1.0
225.05566	2.1
226.46878	0.4
253.09250	0.5
289.18179	0.5
293.21255	0.4
313.07166	4.9
314.07574	0.6
357.06192	1.7
358.06601	0.4
401.08719	8.8
402.09055	1.4
638.81470	0.4
741.14197	0.6
753.41052	0.6
785.17499	1.3
785.41986	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	785.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	1.4
59.01242	6.7
61.87234	0.9
69.19444	8.6
71.01257	3.0
79.52762	0.9
84.57404	0.9
87.00727	2.0
91.69261	0.9
93.03307	1.7
101.02314	1.5
109.02831	3.1
113.02341	2.0
117.03353	3.8
119.04922	1.2
121.02852	5.9
122.03614	4.0
122.62947	0.8
123.04417	2.6
124.01577	1.5
126.15102	1.0
132.02074	18.3
133.02853	1.0
134.03624	36.0
135.04341	0.9
137.02309	3.1
147.04486	4.4
148.05147	1.5
149.06024	6.1
150.03209	1.0
151.03918	1.1
160.01572	78.3
161.02043	2.9
161.06041	1.2
165.05481	11.0
174.03152	1.2
175.03926	100.0
176.04251	3.9
178.02625	2.3
179.03452	1.1
179.07062	4.7
189.05557	1.3
191.05644	1.0
193.04987	52.7
194.05370	3.1
202.02649	2.9
209.08145	1.4
217.04962	1.9
230.30019	1.0
283.09778	1.9
315.12555	1.6
316.44870	1.0
343.08047	1.2
345.08673	0.9
346.14160	4.2
347.14886	1.1
361.16577	23.2
362.16840	2.5
379.10339	40.3
380.10815	4.6
396.90344	1.1
417.13705	1.6
447.14410	1.5
449.16293	1.3
491.13434	2.2
505.20905	1.4
741.27936	20.8
742.28235	5.9
785.34387	2.0
798.91980	1.1
802.18579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
59.01236	0.9
69.03317	1.2
71.01243	0.5
71.31214	0.5
73.02811	1.0
77.78667	0.3
79.05376	0.4
81.03314	0.7
83.04897	0.4
85.02813	0.9
87.00730	0.6
93.03319	0.3
94.73803	0.3
95.04888	0.7
97.06458	1.3
101.02327	5.2
108.02084	0.3
109.02818	1.5
113.02343	0.4
119.04940	0.6
121.02843	0.5
122.03640	0.5
123.00751	0.4
123.04345	0.5
123.08056	0.6
125.02373	0.4
129.03358	0.4
135.04446	0.8
137.02335	3.2
139.03925	1.7
145.06499	0.5
146.03644	1.8
147.04424	14.3
148.05222	3.8
149.02373	0.5
149.05946	1.3
157.06494	0.3
157.10106	0.5
159.04428	7.7
160.05159	1.8
161.02350	0.3
161.05977	2.8
163.07588	2.2
172.05209	14.3
173.05995	20.7
173.92355	0.3
174.03120	1.5
174.06570	2.8
175.03900	2.2
175.07516	2.2
176.04709	5.7
183.04436	1.0
183.08170	0.4
185.05992	1.4
186.06786	3.8
187.04005	3.1
187.07562	15.0
188.04655	1.2
188.08270	2.3
189.05499	7.2
189.09131	5.8
190.05962	0.5
191.03433	0.7
192.04184	2.3
196.05139	0.7
197.06017	8.3
198.06779	4.3
199.07513	1.4
199.11201	0.3
200.04723	1.9
200.08293	0.7
201.05519	8.7
201.09142	30.5
202.05957	0.9
202.09532	2.7
203.07022	1.9
203.10637	0.6
204.04420	1.4
204.07858	16.2
205.08385	1.4
209.09613	0.7
211.07588	1.3
212.08351	1.9
213.08652	0.3
214.06267	0.4
215.07077	14.3
215.10579	0.7
216.07851	13.6
217.05075	0.7
217.08385	1.0
217.12268	2.2
218.05927	0.6
225.09152	4.5
226.09787	0.5
227.10724	34.4
228.11082	3.1
229.08627	3.8
230.09167	0.7
232.03836	0.5
232.07329	0.6
236.03273	0.7
241.08696	0.4
242.05869	0.4
243.10138	1.5
245.11795	25.9
246.12134	1.7
260.06900	1.4
271.09698	4.7
272.10263	0.6
289.10809	21.7
290.11115	1.6
298.48593	0.3
314.03854	0.3
333.09787	100.0
334.10117	9.6
343.08127	0.4
344.08524	0.6
345.08847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
66.48882	0.3
71.01266	0.9
71.54531	0.2
75.00738	0.3
85.02816	0.4
87.00764	1.0
88.98679	0.6
89.02342	0.4
93.03313	0.5
96.95894	0.4
99.00753	0.6
101.02311	0.4
109.02838	0.4
111.00752	0.3
113.02329	0.4
116.92664	0.3
117.03358	7.4
118.03703	0.3
119.04874	1.4
121.02859	0.6
123.04435	0.4
124.01531	0.3
125.02364	0.5
134.03630	2.0
135.04364	0.5
137.02376	0.8
145.02864	11.9
146.03192	0.5
147.04453	1.0
149.02390	0.5
149.06013	0.7
150.03191	0.5
151.03923	0.7
160.01617	0.5
160.91917	0.3
161.02359	0.8
161.06024	0.4
163.03944	1.4
163.05098	0.3
165.05486	0.4
173.30434	0.3
175.03947	0.4
176.01122	0.3
191.03392	0.5
191.05481	0.4
193.05006	1.9
198.03168	0.5
210.03189	1.0
211.03806	0.4
213.05511	0.5
214.02638	0.7
215.03539	0.3
219.02953	0.3
225.05544	0.7
226.02618	1.5
227.03270	0.4
229.01498	0.5
230.02161	0.6
241.04961	0.7
242.02226	1.9
249.06160	0.4
253.01445	0.3
254.02219	1.5
257.04611	0.3
267.03101	0.4
267.07285	0.6
269.04453	1.0
269.98938	0.5
270.01694	5.4
271.02408	0.5
281.00995	0.7
282.01865	0.4
283.02481	1.2
284.03143	0.8
285.04041	10.1
286.04465	0.8
287.09225	0.7
295.02280	0.4
297.03983	1.9
298.01187	3.1
298.04269	0.5
299.02267	0.4
299.05426	1.7
312.02924	0.7
313.03546	46.6
314.03864	3.7
323.09341	0.3
327.05087	3.8
328.05869	17.7
329.06290	1.8
333.09735	0.3
342.07401	0.4
343.08215	100.0
344.08582	8.7
377.60788	0.3
439.12341	1.5
443.11966	0.7
491.14221	0.4
661.05994	0.3
783.30743	0.9
790.57416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.6
59.50778	0.4
64.39352	0.5
68.99697	0.4
69.03330	0.5
71.00913	0.5
71.01245	3.0
71.54507	0.6
72.99179	0.7
73.02825	1.2
75.00761	0.5
78.95779	0.4
83.01256	0.7
85.02833	1.7
87.00748	1.2
89.02335	0.8
89.03850	3.5
91.05427	0.6
93.03316	0.9
96.95864	0.6
99.00761	1.1
101.02326	1.2
105.03335	1.5
108.02065	0.6
109.02837	1.6
113.02328	1.5
116.92741	0.6
117.03365	5.9
119.04943	0.9
121.02849	1.5
122.03638	0.6
123.04435	0.6
123.05373	0.4
124.01559	1.1
125.02280	0.8
132.02078	2.4
133.02887	4.6
134.03633	85.5
135.04361	3.1
137.02339	1.9
143.03418	0.5
145.02859	0.7
147.04411	2.7
149.02399	1.4
149.05988	7.0
150.03186	1.3
151.03885	0.9
159.04475	0.5
160.01570	7.7
161.02383	2.9
161.04472	0.7
163.03925	1.1
164.04694	0.8
165.05484	1.9
173.04631	0.5
175.03922	8.0
176.04448	0.6
177.01855	26.4
178.02419	2.3
189.01863	10.0
190.02448	0.8
191.03473	0.8
192.04071	0.5
193.04994	100.0
194.05356	5.1
195.06534	1.0
197.11795	0.5
219.02797	0.5
251.03442	1.1
279.02985	1.0
283.05984	1.2
295.02460	1.7
297.03928	0.7
301.10867	2.7
313.03452	1.3
313.07245	1.2
328.05804	0.9
333.09778	0.8
343.08252	3.6
361.16660	0.5
386.55545	0.6
399.05081	1.1
415.04556	1.2
416.05341	0.5
420.01794	0.5
444.04822	4.4
445.05264	1.6
445.11185	0.7
491.13391	4.5
492.13580	1.0
503.24969	1.0
563.26770	0.6
602.78906	0.6
695.19891	3.4
696.19696	0.6
739.15094	1.7
739.31647	4.4
740.15918	0.5
740.32623	0.9
783.13696	3.0
783.34766	1.3
784.14075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00176	0.2
57.03299	0.2
59.01254	1.6
61.98698	0.4
66.33089	0.2
71.01248	1.0
71.54267	0.4
73.02821	0.3
75.00742	0.3
85.02818	0.4
85.85390	0.2
87.00755	1.2
89.02311	0.7
93.03329	0.4
99.00739	0.3
101.02312	0.4
108.02081	0.2
109.02776	0.2
113.02315	0.6
117.03326	2.5
119.04917	12.3
120.05268	0.4
121.02798	0.4
123.04408	0.2
125.02332	0.7
130.99699	0.2
132.02034	0.9
134.03629	4.3
135.04399	0.8
137.02319	0.7
145.02850	5.6
146.03210	0.2
147.04420	1.2
147.91571	0.2
149.04385	0.4
149.05991	0.7
151.03893	0.3
152.01010	0.3
152.48372	0.2
153.01772	0.2
159.04384	0.3
160.01563	3.6
161.02219	0.4
163.03922	11.4
164.04305	0.3
165.05426	0.4
175.03922	8.1
176.04350	0.3
177.01817	0.3
178.02594	0.5
187.03972	0.5
189.05363	0.4
191.03568	0.3
193.04993	7.4
194.05345	0.6
210.03160	0.4
211.03839	0.4
211.13222	0.2
223.05916	0.2
225.05534	0.9
226.02711	0.8
227.03459	0.8
229.01408	0.3
235.06158	0.3
239.03513	0.3
241.05063	0.5
242.02144	1.1
245.04575	0.3
254.02144	0.9
255.02979	7.8
256.03360	0.8
257.04504	0.3
259.06149	0.5
267.02948	0.8
269.04501	0.5
270.01700	3.4
271.02356	0.5
281.00766	0.4
282.01517	0.3
283.02472	12.6
284.03134	1.2
285.04037	6.5
286.04248	0.3
295.02628	0.3
297.04016	1.6
298.01199	1.7
298.04791	4.1
299.05344	1.2
312.02795	0.4
313.03525	35.0
313.07193	18.7
314.03873	3.1
314.07498	1.3
327.04922	2.3
328.05856	15.5
329.06223	1.7
342.07349	0.3
343.08212	100.0
344.08569	8.5
353.10284	0.4
358.07004	0.3
439.11911	0.3
458.73996	0.2
469.13464	5.1
470.13745	0.5
619.16644	0.5
637.17590	2.0
638.18481	0.3
783.32452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.2
59.01256	1.3
71.00887	0.1
71.01249	0.7
71.54578	0.2
72.15285	0.1
72.99179	0.3
73.02824	0.3
80.25947	0.1
85.02827	0.4
87.00748	0.4
88.98700	0.2
89.02296	0.3
89.03836	0.5
93.03349	0.2
95.01270	0.2
97.02734	0.2
99.00746	0.5
101.02320	0.3
109.02847	0.3
111.00759	0.2
113.02327	0.4
117.03376	1.5
118.03665	0.3
119.04916	2.0
121.02863	0.3
124.01511	0.2
125.88409	0.2
132.02042	0.3
133.02858	0.3
134.03638	14.5
135.03949	4.4
136.01563	0.2
136.04187	0.9
137.02333	0.7
145.02841	1.1
146.03650	0.2
147.04449	0.2
149.02368	0.4
149.06001	1.3
150.03134	0.8
150.06314	0.3
151.03896	0.3
157.06583	0.2
160.01550	1.3
161.02052	0.6
163.03938	3.0
165.05429	0.6
173.04509	0.2
175.02521	0.2
175.03941	1.8
176.04257	0.6
177.01880	1.4
178.02605	0.4
189.01848	0.5
191.03380	0.2
193.05000	14.9
194.05348	5.5
194.07138	0.3
195.05412	1.4
198.03165	0.5
202.02538	0.2
205.05072	0.2
210.03181	0.7
213.05586	0.4
214.02672	0.3
225.05580	1.1
226.02705	1.4
227.03345	0.6
229.01413	0.5
230.02136	0.5
239.03342	0.3
240.04192	0.3
241.05032	0.5
242.02156	1.6
245.04420	0.3
253.01431	0.4
254.02135	1.4
255.02873	0.6
256.00281	0.2
267.02979	0.3
269.00781	0.3
269.04529	0.6
270.01694	5.2
271.02243	0.4
281.00854	0.7
282.01611	0.5
283.02438	0.8
284.03049	0.7
285.04044	9.1
286.04272	0.6
297.00757	0.3
297.04022	2.2
298.01208	2.6
298.04425	0.4
299.01758	0.3
299.05600	1.2
312.02734	0.7
313.03537	48.3
314.03891	3.9
327.05118	4.0
328.05881	20.5
329.06223	1.7
337.09369	0.3
343.08218	100.0
344.08560	9.1
439.12366	2.0
445.11813	0.2
491.13400	0.4
492.14288	0.2
502.24167	0.2
739.30798	0.5
783.34644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
59.41380	0.1
67.04655	0.1
69.18716	0.6
69.19142	0.7
70.15464	0.1
74.33238	0.1
86.76638	0.1
92.81629	0.1
105.62848	0.1
116.24774	0.1
117.03352	0.6
119.04924	1.3
131.06651	0.1
134.03581	0.2
137.02351	0.2
145.02843	1.5
147.04419	0.2
150.03122	0.2
151.00301	0.2
160.01526	0.2
161.02353	0.2
161.32552	0.1
163.03931	2.1
165.05444	0.2
167.89845	0.1
173.02321	0.1
175.03926	0.2
177.01825	0.4
193.04919	0.3
198.03140	0.5
201.01933	0.2
205.05002	0.2
210.03148	0.9
211.03760	0.2
213.01904	0.2
213.05574	0.3
214.02637	0.5
215.03453	0.1
225.05516	1.0
226.02664	1.8
227.03406	0.4
229.01404	0.5
230.02097	0.4
239.03500	0.5
240.04170	0.1
241.05032	0.5
242.02164	2.1
243.02780	0.3
245.04610	0.3
253.01402	0.3
254.02193	1.9
255.02812	0.4
257.04529	0.4
267.02933	0.3
268.03769	0.3
269.01151	0.3
269.04572	0.7
270.01691	5.6
270.04636	0.3
271.02066	0.6
281.00967	0.7
282.01675	0.4
283.02518	1.1
284.03275	0.8
285.04034	10.5
286.04282	0.7
295.02411	0.2
296.03076	0.2
297.03958	2.0
298.01196	3.3
298.04367	0.2
299.01926	0.2
299.05618	1.3
311.05783	0.2
312.02856	0.7
313.03531	45.2
314.03870	4.0
327.05054	3.8
328.05856	18.1
329.06268	1.9
343.08200	100.0
344.08542	11.6
439.12543	1.3
539.22791	0.1
563.25049	0.1
619.17645	0.1
742.43774	0.2
765.78583	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.8
59.01251	17.6
59.80995	0.7
61.98707	5.8
64.50319	0.7
70.40093	2.0
71.01256	5.3
71.04873	0.6
73.02790	1.0
78.95802	1.4
78.98505	0.6
79.86072	0.6
79.95603	1.3
80.27179	0.7
80.96391	9.6
83.04907	0.8
85.02847	1.4
87.00768	1.6
89.02329	2.0
92.12366	0.6
94.92130	0.6
94.97974	2.2
95.01310	0.6
97.02827	8.0
97.06470	1.4
98.19789	0.7
99.00760	10.1
101.02326	3.9
109.06481	1.5
110.03630	1.5
113.02311	1.3
125.02290	0.9
125.09624	3.1
132.44691	0.6
134.97430	0.7
135.08054	1.1
142.02625	3.3
161.04446	1.3
161.09575	1.1
163.11188	8.0
164.98560	2.6
179.10689	1.0
181.12270	17.5
182.12576	1.4
196.91618	0.6
197.11665	0.8
199.13306	1.3
205.19464	0.6
207.10201	51.1
208.10568	3.1
209.11816	0.7
225.00677	2.8
225.11276	100.0
226.11620	4.8
235.08179	1.7
241.01038	0.8
243.12357	9.8
253.09224	2.6
277.21713	84.1
278.22067	6.3
299.14880	1.1
317.15903	1.0
443.19315	4.7
444.19214	0.7
461.20276	42.4
462.20450	3.7
721.41663	24.5
722.41968	4.8
728.79547	0.7
749.02264	0.7
781.27148	1.1
781.40601	12.9
782.41052	2.4
811.28278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
64.18276	2.1
65.00177	3.0
71.01250	9.9
71.53825	2.7
71.54182	2.4
73.02842	6.2
75.14598	2.4
84.99136	2.4
85.02831	3.1
87.00725	5.4
89.02312	6.7
93.03330	9.0
95.01251	5.2
99.00762	16.0
107.01264	8.9
108.02077	2.6
109.02834	6.9
113.02267	3.0
118.02848	4.9
121.02843	10.1
122.02370	3.7
125.02333	5.6
132.02075	3.6
133.02861	3.8
134.02391	14.3
134.03406	2.2
135.00792	4.7
136.03934	3.2
137.02296	17.2
146.02391	4.7
147.04411	3.0
149.02332	8.1
149.06003	6.0
151.00273	32.4
158.02400	3.6
162.01874	24.6
163.00264	7.5
163.06004	3.7
164.03418	16.2
169.01349	7.5
171.04405	4.1
176.00961	3.0
177.01872	39.2
178.02222	3.2
178.99776	14.1
186.01871	23.0
190.01392	13.8
191.05505	8.7
193.01393	5.9
199.03978	2.9
204.02972	47.8
208.02626	3.1
212.25586	3.1
214.01233	2.9
226.02686	4.2
226.04929	3.1
227.03485	14.2
227.05405	3.2
229.05139	5.8
239.03465	9.7
240.04164	4.7
241.05031	5.0
242.04645	4.5
250.05066	2.9
253.05032	2.9
255.02907	28.1
256.03720	3.8
266.04541	11.8
267.02820	3.1
268.03729	6.9
269.04541	27.4
270.04132	10.4
271.02444	8.8
272.03214	2.8
278.04535	7.6
279.02957	8.5
283.02338	7.9
284.03220	14.2
285.04016	7.6
294.04089	13.5
295.04861	9.5
296.03171	3.5
297.04050	17.1
298.04297	3.0
299.04282	7.1
300.02515	11.9
301.03531	28.6
302.03683	3.9
306.04114	50.4
307.04382	3.7
314.04050	3.6
323.04327	38.9
324.05121	100.0
325.05411	8.0
335.24194	2.7
340.04871	5.2
341.05386	40.7
342.05997	8.7
662.19318	23.5
688.17670	3.4
741.18921	4.7
764.20502	44.3
765.20593	13.3
782.21454	72.1
783.21417	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	782.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54057	0.1
59.01246	0.5
61.98705	100.0
62.98418	0.2
70.13361	0.4
71.01275	0.2
75.92957	0.1
78.95766	0.1
79.95613	0.3
80.10349	0.1
80.96389	1.6
81.40832	0.1
89.02292	0.1
94.97975	0.3
126.16827	0.1
148.99101	0.1
164.98531	0.4
223.13361	0.9
224.13643	0.6
225.00719	0.4
225.13968	0.2
269.98837	0.1
277.21619	0.6
278.22034	0.6
279.22397	0.3
284.47141	0.1
353.76944	0.1
470.02066	0.1
484.59518	0.1
504.12411	0.1
562.48126	0.1
782.41150	1.2
783.40686	0.8
806.10205	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03320	0.5
59.01251	12.1
61.98700	1.7
69.03318	0.4
71.01250	4.6
71.04878	0.4
72.99141	0.4
73.02819	1.4
76.56698	0.3
78.95776	1.3
78.98450	0.7
79.95620	1.3
80.96394	7.1
83.01265	0.4
83.04894	1.0
85.02820	1.4
87.00748	1.4
89.02318	1.7
92.17842	0.3
94.97959	2.1
95.01233	0.4
95.04909	0.6
97.02828	4.3
97.06467	0.9
99.00755	7.2
99.01365	0.6
101.02324	3.0
103.22757	0.4
106.97986	0.3
109.06435	0.8
110.03618	0.4
113.02369	1.8
123.04395	0.3
125.02329	1.0
125.09595	1.9
127.07555	0.3
134.97533	0.5
135.08034	0.6
136.05197	0.7
142.02603	1.3
145.05020	0.4
148.99077	0.7
161.04482	1.0
161.09671	0.5
163.11215	4.7
164.98544	1.5
181.10796	0.7
181.12262	8.1
181.13730	0.6
182.12631	0.6
183.29265	0.3
197.11716	0.5
207.10208	24.8
208.10509	1.2
209.11740	0.9
225.00748	2.6
225.11278	52.2
226.11588	3.4
227.12805	0.7
235.08165	2.9
241.01222	1.1
243.12361	6.3
253.09210	4.3
255.23268	0.8
267.12155	0.5
275.20081	0.4
277.21719	100.0
278.22067	10.0
287.25613	0.4
296.65613	0.4
405.17392	0.4
443.19113	4.5
444.19525	0.5
461.20248	6.1
462.20901	0.7
483.91742	0.3
511.98520	0.4
513.30475	0.4
721.41632	17.9
722.42096	4.4
781.40619	11.8
782.41534	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	781.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90170	0.2
59.01251	3.4
60.50883	0.2
68.89646	0.2
71.01260	1.6
72.99178	0.4
73.02826	1.0
74.81055	0.2
83.01255	0.3
85.02827	0.9
87.00766	0.3
89.02331	0.8
89.03835	1.7
94.18063	0.2
95.01281	0.3
97.02857	0.2
99.00737	1.9
101.02332	0.9
106.04104	0.6
109.05160	0.2
113.02333	1.3
117.03358	5.2
118.03718	0.2
121.02872	0.3
131.03398	0.3
132.02058	1.9
134.03635	80.1
135.03964	3.9
137.02348	0.6
147.04405	0.3
149.05998	5.7
150.03152	0.3
150.06383	0.3
156.95779	0.2
160.01573	7.3
161.01968	0.5
161.04443	0.2
165.05498	0.5
175.03923	9.8
176.04254	0.5
178.02644	2.5
191.05582	0.4
193.04996	100.0
194.05324	5.3
195.06602	0.3
282.70529	0.2
302.22980	0.2
490.03128	0.2
501.23383	1.6
502.24051	0.3
543.24286	0.8
561.25482	0.5
576.22589	0.2
616.89923	0.2
737.30328	3.8
738.30627	0.9
781.32928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.3
61.98701	0.6
69.03322	0.5
71.01260	2.6
72.99178	1.0
73.02796	1.1
75.00756	0.6
85.02821	1.0
87.00763	1.9
89.02324	2.0
89.03830	2.2
93.03366	1.0
95.36115	0.5
96.95877	0.7
99.00767	1.2
101.02340	1.4
106.04131	1.0
108.01965	0.5
109.02841	1.0
113.02339	1.5
117.03339	5.8
119.03407	0.5
119.04932	0.6
121.02841	1.2
122.03665	0.5
125.02349	0.5
131.04918	0.5
132.02061	2.3
133.02876	0.5
134.03632	92.1
135.02939	1.0
135.03995	3.3
137.01376	0.4
137.02351	1.7
141.22234	0.5
144.12813	0.5
147.04411	1.9
149.02367	2.1
149.05980	8.0
150.03159	2.6
150.06366	0.6
151.00316	0.5
154.67598	0.4
159.04414	0.6
160.01566	7.8
163.03813	0.6
164.04697	1.5
165.04132	0.7
165.05423	3.0
175.00273	0.5
175.03934	9.7
176.04201	0.6
178.02676	2.7
191.03450	1.1
191.05533	1.0
192.04155	0.6
193.04991	100.0
194.05345	5.7
195.06563	1.6
201.09061	0.6
202.06325	0.6
208.03627	0.9
223.06024	2.6
273.85706	0.6
282.30423	0.4
299.01990	0.6
333.09857	0.6
351.10782	0.7
404.97049	0.6
419.13400	1.0
447.16693	1.1
455.13434	3.4
456.13556	0.7
487.16223	1.3
501.23422	1.1
561.25201	0.8
695.29919	0.7
737.29730	3.7
738.30591	0.8
781.34027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01249	4.7
62.20547	0.4
69.03315	0.4
69.94352	1.1
71.01251	1.9
72.99176	0.6
73.02824	1.2
75.00746	0.7
85.02824	0.9
87.00763	1.0
89.02318	0.7
89.03851	1.6
95.26596	0.4
99.00765	2.2
101.02345	0.8
106.04154	0.4
109.02862	0.5
113.02320	1.5
117.03364	4.8
118.03654	0.4
132.02086	2.7
134.03633	81.6
135.02901	1.5
135.03973	2.9
137.02296	1.0
149.04803	0.7
149.05991	6.6
159.04483	0.6
160.01598	7.4
161.02328	0.5
161.04446	0.5
175.03935	10.0
176.04227	0.6
178.02617	2.0
188.35144	0.4
191.05536	0.6
193.04994	100.0
194.05330	6.4
211.35263	0.4
425.08856	0.4
455.13593	1.6
487.16138	1.0
501.23450	1.8
543.24426	0.7
737.30322	2.8
781.32648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01249	0.9
57.03336	0.9
58.87082	0.7
59.01247	1.9
61.98707	23.9
63.96091	1.1
70.72073	2.3
71.01256	4.8
78.95774	25.1
78.98456	2.9
79.95612	8.0
80.96395	43.5
83.04911	2.3
85.02821	1.8
87.00730	2.1
91.95560	0.9
94.97968	8.9
96.96846	6.0
97.02811	1.1
99.00751	1.1
99.54006	0.7
101.02324	1.3
106.97956	2.7
112.03689	0.8
113.02306	0.8
122.97469	2.0
125.02334	1.4
134.97453	3.0
136.99022	1.4
147.04398	3.7
148.99022	2.9
152.98503	2.2
152.99504	5.5
155.37589	0.8
159.04366	1.7
163.11145	2.6
164.98529	5.7
172.05226	1.1
173.05945	1.7
185.05972	1.0
201.05399	1.0
206.99678	1.5
209.09888	1.6
209.11771	21.9
223.00034	1.1
225.00711	14.8
225.11223	1.2
227.12805	2.3
241.01190	12.3
244.15590	1.0
255.23318	14.2
256.23584	2.0
277.21652	3.0
278.21985	1.4
297.03568	0.9
297.15015	2.6
311.13040	0.9
313.18436	1.0
323.16513	3.3
341.17560	4.6
363.12192	1.2
385.16528	2.8
459.20206	2.1
477.21176	2.5
537.27240	1.5
553.28168	1.5
720.18146	1.0
737.42316	3.0
763.39117	4.1
781.40906	100.0
782.41351	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03315	2.1
58.00464	0.9
59.01253	17.7
61.98704	6.2
63.41492	0.7
68.99694	1.5
69.48497	4.6
69.48916	1.0
71.01256	25.5
71.17992	0.7
72.99170	1.4
73.02825	3.9
74.95988	0.6
75.00752	13.3
83.01270	3.8
85.02826	13.3
87.00751	8.5
88.98689	1.6
89.02322	8.1
93.03329	0.9
95.01257	4.5
96.95879	2.2
99.00751	12.4
101.02322	11.7
109.02802	0.8
111.00793	0.8
113.02328	9.5
118.66301	0.7
119.03383	3.2
121.02802	1.4
130.99716	1.4
134.03633	1.2
137.02267	1.0
147.04422	3.0
149.02397	0.8
149.06004	1.1
171.10175	1.3
173.05852	0.8
175.07422	0.9
185.06030	0.9
187.07513	1.1
191.03500	1.0
193.04999	1.8
201.09235	1.2
209.11819	1.5
211.13481	1.2
229.08655	0.9
243.10222	1.5
245.08351	1.1
285.03992	0.8
314.67694	0.7
331.07605	0.8
353.10410	2.7
354.11185	0.9
399.14554	2.4
439.35971	2.3
509.40466	1.3
560.52545	0.8
779.45898	100.0
780.32397	1.4
780.46362	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	781.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30668	1.3
57.03327	1.1
59.01250	2.8
59.75978	1.0
64.02076	0.9
65.00193	1.5
69.43997	6.2
71.01254	6.8
73.02818	2.4
85.02824	2.8
87.00739	1.7
89.02264	1.2
91.01800	5.0
96.95839	1.1
99.00740	2.5
99.02572	0.9
101.02328	4.2
104.06461	1.0
108.02057	12.9
109.02854	9.5
111.00733	1.1
113.02315	2.5
119.04905	0.9
121.02811	2.1
122.03606	2.9
123.04427	11.9
130.04182	1.0
131.04910	2.6
131.50948	0.9
133.02821	1.1
134.03619	2.4
135.04436	2.7
137.02341	2.0
143.04955	2.8
145.02841	1.4
145.06483	2.5
146.03613	6.5
147.04459	9.4
149.06027	1.3
158.03656	2.6
159.04422	100.0
160.05211	21.6
161.02338	2.2
161.04575	2.0
161.05989	28.9
162.06334	2.0
163.03885	3.6
171.04410	2.7
172.05251	5.4
173.02396	6.9
173.05988	44.1
174.03075	1.7
174.06294	2.7
175.03912	2.4
186.03180	1.3
187.03914	8.8
191.03336	1.7
191.05519	3.1
193.05040	2.4
197.06013	1.4
199.03908	6.6
200.04593	2.1
203.03397	6.9
204.04199	4.5
213.05511	2.9
217.01411	4.4
219.06575	2.8
223.07649	1.4
224.04701	1.9
229.01364	3.4
231.02948	1.0
237.05563	2.8
237.09738	1.8
238.06331	1.3
239.07069	5.6
240.04179	1.1
241.05037	15.4
242.05595	2.7
249.05412	2.5
250.06288	3.1
251.07034	4.7
252.07913	1.5
253.05046	5.2
253.08614	1.5
254.05782	2.8
255.06483	1.2
256.07492	3.9
261.05447	4.7
262.06293	3.1
263.07019	5.4
264.07892	3.2
265.04962	6.1
265.08606	3.2
266.05945	7.8
267.06622	31.6
268.07098	5.0
269.08176	4.6
277.05112	4.0
278.05817	6.1
279.06628	18.5
280.07297	10.5
281.08163	22.5
282.08960	61.4
283.09274	4.8
289.05014	4.2
290.05725	5.6
291.06561	5.0
292.07199	2.5
293.08194	2.1
295.06345	1.5
295.09726	9.1
297.11316	62.4
298.11670	6.7
305.04776	2.2
306.05307	7.5
307.06094	43.4
308.06866	44.0
309.07236	4.6
313.07224	1.9
321.07602	13.1
322.08173	2.1
323.09241	53.0
324.09634	5.5
341.10275	23.2
342.10718	2.3
349.07135	3.9
352.06006	2.2
366.07040	1.3
367.08255	22.5
368.08600	3.3
369.14059	1.4
385.09174	6.1
393.06143	20.2
394.06396	1.4
411.07156	2.0
460.72873	0.9
624.45172	1.1
665.20630	1.7
693.23645	8.0
694.24097	1.9
737.23010	17.5
738.23126	3.4
763.20941	35.2
764.21448	6.8
781.21979	82.1
782.22339	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	779.4227
Annotation	Tragopogonoside A
Peak:m/z	Relative Intensity
55.01747	1.5
57.03326	2.8
58.00460	0.7
59.01253	13.1
61.98704	0.7
64.84167	0.4
68.37336	0.3
68.99667	1.5
69.03315	0.4
69.91035	2.0
71.01256	18.5
71.38367	0.4
72.99197	2.2
73.02812	1.3
73.64626	0.4
75.00748	13.4
78.31207	0.4
80.27454	0.4
83.01266	1.9
85.02824	11.1
87.00755	5.1
88.98671	0.7
89.02313	5.5
93.03335	0.4
95.01259	3.2
97.06496	0.4
99.00760	12.8
100.01054	0.4
101.02330	1.3
111.00786	0.4
113.02341	5.5
115.00239	0.7
119.04881	0.5
121.02816	0.7
130.99733	1.0
134.03581	0.9
135.04341	0.5
137.02342	1.9
139.00284	0.5
146.03630	0.9
147.04411	3.1
148.05141	0.9
149.05965	0.6
157.01328	1.4
159.04401	0.8
163.03908	0.8
170.16855	0.4
172.05247	1.0
173.05957	1.0
175.07652	0.5
185.05931	0.7
186.06781	0.7
187.07518	0.9
189.05421	0.7
192.04134	0.8
193.05020	0.8
193.81561	0.4
197.05965	0.7
201.05542	0.5
201.09071	1.4
209.11826	0.7
211.07672	0.5
211.13261	0.5
215.07002	1.1
218.02190	0.4
219.02844	0.6
226.10088	0.4
229.08623	0.9
237.03871	0.6
241.60397	0.4
243.10204	1.1
245.08063	0.6
255.02963	0.7
263.16208	0.4
297.14954	0.5
333.37030	0.4
339.15887	0.4
356.40179	0.5
357.17151	0.4
447.15921	0.4
453.33331	0.6
465.81604	0.4
469.33386	2.7
471.34735	6.8
472.35144	1.1
513.35828	1.6
539.37878	1.9
540.38269	0.6
553.35107	0.9
585.37903	8.2
586.38196	1.3
603.39099	0.7
629.37018	6.4
630.37366	1.4
660.82397	0.5
717.42401	0.7
761.24158	0.5
779.42242	100.0
780.42615	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	5.0
59.01258	6.2
61.98717	6.3
63.64443	1.0
65.49144	1.1
69.57475	7.3
71.01247	11.4
72.99177	3.5
73.02805	2.7
75.00742	41.0
77.28239	1.1
82.53883	1.1
83.01245	2.0
85.02821	23.3
85.90523	1.1
87.00743	5.2
95.01264	2.7
99.00754	5.3
101.02311	5.2
113.02332	13.0
147.04431	1.6
157.01378	1.1
171.10257	1.7
193.04996	1.3
209.11984	1.4
211.80157	1.1
214.17154	1.2
217.50458	1.1
285.88657	1.2
378.49942	1.1
647.23346	1.8
779.45819	100.0
780.46179	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	779.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03315	2.1
58.00464	0.9
59.01253	17.7
61.98704	6.2
63.41492	0.7
68.99694	1.5
69.48497	4.6
69.48916	1.0
71.01256	25.5
71.17992	0.7
72.99170	1.4
73.02825	3.9
74.95988	0.6
75.00752	13.3
83.01270	3.8
85.02826	13.3
87.00751	8.5
88.98689	1.6
89.02322	8.1
93.03329	0.9
95.01257	4.5
96.95879	2.2
99.00751	12.4
101.02322	11.7
109.02802	0.8
111.00793	0.8
113.02328	9.5
118.66301	0.7
119.03383	3.2
121.02802	1.4
130.99716	1.4
134.03633	1.2
137.02267	1.0
147.04422	3.0
149.02397	0.8
149.06004	1.1
171.10175	1.3
173.05852	0.8
175.07422	0.9
185.06030	0.9
187.07513	1.1
191.03500	1.0
193.04999	1.8
201.09235	1.2
209.11819	1.5
211.13481	1.2
229.08655	0.9
243.10222	1.5
245.08351	1.1
285.03992	0.8
314.67694	0.7
331.07605	0.8
353.10410	2.7
354.11185	0.9
399.14554	2.4
439.35971	2.3
509.40466	1.3
560.52545	0.8
779.45898	100.0
780.32397	1.4
780.46362	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	779.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01254	23.8
61.98702	1.1
62.21846	0.3
69.03333	1.7
70.72333	1.2
71.01257	4.7
71.04894	0.8
73.02839	0.6
75.03925	0.4
78.95782	1.5
79.95609	0.9
80.88050	0.4
80.96393	6.8
83.01231	0.4
83.04877	0.5
85.02831	1.3
85.06477	0.6
87.00771	0.7
89.01836	0.4
89.02306	2.9
94.97964	1.0
95.04871	0.5
96.96880	0.7
99.00759	0.5
101.02328	3.2
102.02660	0.4
107.08469	0.4
109.06454	0.6
113.02331	1.6
119.03358	0.7
143.03406	0.5
149.09677	0.5
152.98425	0.5
161.04463	1.4
161.13211	0.5
164.98540	1.4
167.10704	3.2
177.12790	0.7
179.05544	0.7
179.10690	1.3
179.14339	3.6
181.12303	0.6
195.13846	10.6
196.14169	0.7
205.12285	11.0
206.12653	0.6
206.99745	0.5
207.10257	1.3
223.13348	100.0
224.13705	5.6
225.00682	1.8
225.11282	1.0
235.08235	2.4
235.92032	0.4
241.01123	0.8
252.69577	0.4
253.09271	9.2
255.23294	1.6
277.21719	70.1
278.22058	5.9
343.94455	0.4
441.21161	1.9
457.82635	0.4
459.22333	14.6
460.22562	1.2
641.18024	0.4
719.43542	1.7
779.39166	8.2
780.39764	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	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98706	2.0
63.29330	0.2
71.01259	1.7
78.95776	8.8
79.95608	3.2
87.00736	0.4
94.97953	0.2
96.95893	100.0
96.96805	10.4
97.95865	0.4
98.02343	0.4
98.19766	0.4
101.02342	0.3
120.77573	0.2
171.10162	1.1
199.09734	0.3
201.11212	0.3
207.10225	0.6
209.11807	0.5
211.13307	0.3
219.80344	0.2
225.11349	0.3
253.09366	0.4
277.21558	0.3
288.53253	0.2
293.21268	0.9
352.41879	0.2
397.13766	0.3
435.08200	0.4
453.09326	0.6
713.30847	0.6
773.44263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	10.9
60.11395	5.7
61.42174	5.6
61.98709	54.5
67.97375	6.3
69.25984	60.2
71.01237	11.5
78.95773	19.2
87.00744	10.2
96.95907	13.0
98.19758	10.6
152.99483	8.4
165.88541	6.3
193.05052	7.0
209.11787	100.0
227.12775	20.5
233.68262	6.3
235.08281	11.2
253.09230	19.2
258.98740	7.2
276.11108	6.4
293.21237	72.6
397.56308	6.2
445.20786	12.3
775.40833	34.3
776.40253	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	777.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99773	5.7
57.00089	6.2
59.01252	10.5
64.91606	6.3
71.01283	6.9
71.52934	5.7
73.28532	6.2
73.54679	6.1
76.17120	6.9
87.00777	9.5
94.07521	6.0
106.56067	7.8
118.35011	7.4
199.92032	6.9
201.11322	36.3
209.11784	96.9
227.12863	22.9
235.08084	10.1
246.51222	9.4
253.09212	18.2
277.21756	100.0
278.21997	9.8
333.39154	6.9
398.42651	7.7
437.19974	9.6
483.06253	7.8
777.41675	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
56.22098	0.6
59.01251	8.6
69.03329	1.3
69.22330	6.0
71.01259	7.2
73.02821	4.3
75.00771	0.7
78.61202	0.5
83.01263	0.7
83.04899	0.6
85.02838	2.5
87.00768	1.9
89.02341	1.8
89.03857	1.7
97.02842	1.1
99.00768	7.0
101.02334	3.0
111.00788	0.7
111.04375	0.6
113.02336	2.9
117.03351	5.8
118.03722	0.6
125.02323	3.0
131.03416	0.9
132.02055	2.4
133.02873	1.1
134.03636	91.8
135.03951	3.9
137.02348	1.3
139.03972	0.9
143.03412	2.0
147.04424	2.3
148.05295	0.8
149.05988	12.7
150.06311	1.0
151.03957	0.8
155.03430	1.7
160.01573	12.7
164.10197	0.6
175.03931	21.6
176.04414	2.2
177.01836	0.6
178.02660	3.6
191.03487	0.8
191.05510	1.2
191.07118	1.9
192.04207	0.6
193.04996	100.0
194.05328	5.6
197.06067	0.6
201.09099	0.8
203.05537	4.8
203.07294	0.7
205.04938	0.8
206.05772	2.1
207.06435	1.0
213.09085	0.7
221.08157	8.4
235.06059	21.4
236.06407	1.6
237.07523	0.8
241.08571	0.7
243.10075	1.2
247.06114	0.7
255.02888	0.8
259.06216	0.7
265.07175	40.1
266.07510	1.8
307.08224	11.2
308.08456	1.4
325.09271	19.5
326.09671	2.1
343.08252	1.1
351.11035	0.7
367.10349	31.9
368.10745	3.1
409.11465	4.6
410.11307	0.7
451.12521	0.7
511.14590	3.7
691.33154	1.0
704.56982	0.7
761.27997	0.6
779.31232	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	779.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.4
58.63209	1.6
59.01255	14.2
69.03316	7.1
69.36116	10.1
69.36518	3.6
70.23111	1.5
71.01254	11.8
72.17999	1.7
72.40890	2.1
73.02818	2.1
83.01230	2.6
85.02828	4.9
87.00752	9.2
89.02297	6.1
90.35254	1.8
92.32191	1.6
95.01237	2.9
99.00742	4.3
101.02320	10.8
113.02324	5.0
119.04930	2.4
121.02953	2.2
127.00241	1.8
130.99809	2.5
134.03616	5.3
137.02357	3.1
139.00249	4.0
143.04898	2.0
145.02864	2.8
146.03630	6.9
147.04396	6.4
149.05965	3.7
156.05659	3.7
159.04428	26.2
159.08037	2.2
163.03868	1.7
169.34291	1.9
171.04436	7.1
171.08041	5.1
171.10135	3.0
172.05231	33.0
173.02341	4.1
173.05989	22.7
174.03099	7.2
174.06740	10.0
175.03886	3.3
175.07494	4.9
183.13977	1.9
185.06015	31.4
186.06776	21.5
187.03990	9.4
187.07588	33.3
188.08232	3.3
189.05515	3.6
191.03430	12.2
193.04971	5.5
193.08650	2.5
196.05229	9.6
197.06033	12.3
198.06688	3.1
199.03868	2.8
199.07594	20.1
200.04736	8.8
200.08304	11.1
201.05505	9.0
201.09152	53.5
202.06313	10.0
202.09412	5.4
203.03488	2.0
203.06987	3.4
204.04181	2.3
209.11758	5.7
211.07581	16.9
211.13295	17.7
212.08209	2.7
213.05557	10.6
213.09131	5.4
214.06274	15.5
215.07100	41.8
215.10600	11.2
216.07623	5.0
216.11261	3.0
218.05775	6.7
223.07603	3.7
225.09120	7.1
226.09889	5.1
227.07045	3.2
228.07903	3.9
229.05135	2.0
229.08682	28.6
230.09071	2.4
231.06635	3.1
241.12296	3.6
243.10251	30.9
244.07318	2.9
244.10896	7.4
245.08165	21.8
253.09174	3.7
255.13826	3.0
259.06085	3.3
268.25299	1.9
269.15393	3.1
270.08893	2.3
271.13391	6.8
283.13470	10.0
287.09201	3.3
288.10086	4.4
289.14484	4.3
297.14926	42.8
298.15198	3.0
301.14459	5.2
311.12823	6.7
311.16455	4.3
313.07224	3.2
313.18149	2.3
314.07779	4.8
315.15948	27.1
316.16254	2.8
317.92102	1.7
321.14944	5.2
323.16434	5.3
325.14462	6.1
327.12570	1.7
329.13928	3.8
329.17651	2.6
332.08926	5.9
339.15976	13.3
340.16379	3.0
341.13879	2.8
341.17599	3.6
343.15439	3.6
357.17108	5.8
359.18597	3.3
415.21164	2.8
433.22186	2.4
447.22327	2.2
525.23505	2.9
537.23444	6.0
538.24011	2.4
550.23932	2.7
551.25098	11.0
565.23114	5.4
568.21704	2.2
569.22693	4.7
575.24835	4.0
576.25928	10.0
579.24268	3.2
581.22717	3.4
593.26202	7.9
594.27124	11.4
595.23737	9.6
620.24225	3.7
626.96021	1.8
628.23987	2.0
638.25378	9.3
639.26331	3.0
664.23907	6.4
682.25031	3.2
735.32843	10.5
736.32758	2.4
761.29022	2.7
779.31238	100.0
780.31647	25.5
806.49017	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	771.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01248	4.5
61.98707	2.8
63.17369	0.3
66.61930	0.3
71.01250	2.1
71.30363	0.3
71.33852	0.5
72.99189	0.5
73.02815	0.6
76.96404	0.4
78.95814	0.4
83.00446	0.3
83.01283	0.4
85.02809	1.0
87.00764	1.5
87.04395	6.5
89.02345	0.8
89.03841	2.4
93.03352	0.6
96.95893	1.7
97.02847	0.7
99.00750	0.7
101.02341	1.8
109.06499	0.4
113.02336	1.4
113.58359	0.4
117.03350	5.5
120.14658	0.3
121.02831	0.5
125.02293	0.5
130.99739	0.6
132.02092	2.2
134.03632	79.7
135.03934	2.8
137.02347	1.8
137.03317	0.3
139.03865	0.6
146.56673	0.4
147.04416	1.4
148.05168	0.5
149.05974	6.4
160.01573	7.8
161.09550	0.4
163.11218	0.8
164.04582	0.6
171.10172	5.1
175.03926	10.4
176.04269	0.5
178.02614	2.1
179.10696	0.4
191.03270	0.4
192.04208	0.8
193.04993	100.0
194.05345	4.8
197.11774	1.6
201.11316	0.5
207.10291	0.8
209.11783	2.6
211.13274	0.7
225.11270	2.4
227.12863	0.6
235.08067	0.7
243.12369	0.6
253.09232	1.5
284.03217	0.4
285.04297	0.5
291.19687	1.0
303.13898	0.4
309.20572	2.5
313.03528	0.9
321.14905	0.7
325.20175	1.0
328.05905	0.4
341.23376	0.5
342.07520	1.0
343.08353	2.1
461.20193	0.5
469.55078	0.4
491.25000	1.9
495.82474	0.4
510.86737	0.4
533.25629	0.5
551.27051	0.8
727.32153	2.8
728.31488	0.6
771.41559	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	771.453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38727	2.0
55.53576	2.3
59.01254	11.0
61.98701	18.8
71.01250	8.6
71.53252	2.0
80.02518	2.8
85.02869	2.0
87.00742	3.2
89.02314	2.5
96.95898	2.0
101.02301	4.6
111.08020	2.1
113.02283	2.1
128.80904	2.1
157.80428	1.9
161.04474	2.7
163.11172	6.4
165.12720	2.6
171.10191	8.1
195.13809	3.2
197.11549	2.5
207.10184	7.5
209.11765	100.0
210.12140	6.4
211.13342	6.9
223.13330	7.2
225.11298	5.2
227.12843	11.9
235.08215	5.3
253.09268	17.0
275.20200	8.9
293.21207	59.4
294.21582	5.6
309.20767	2.5
327.21841	8.0
345.32248	1.9
771.41663	5.6
788.63794	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	773.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
60.37993	1.0
63.02283	1.7
65.00208	5.5
68.99689	1.2
71.01263	1.2
73.02826	1.2
74.16074	1.1
83.01260	3.0
93.03371	1.8
94.65132	1.1
95.01260	2.7
96.99193	1.9
98.63830	0.9
99.00775	3.6
106.00489	1.9
107.01282	5.7
109.02835	4.8
109.99989	1.4
111.00766	4.8
120.99248	1.9
121.02833	1.8
123.00777	4.9
124.98714	2.0
125.02349	3.1
133.02841	2.9
135.00760	2.4
136.98723	1.6
137.02348	2.1
139.00307	7.1
143.04886	1.2
147.04414	2.1
148.01585	1.9
148.98737	1.9
149.02386	4.2
149.99498	2.5
151.00284	25.6
151.03877	1.1
152.00984	3.2
153.01822	4.3
154.99779	2.3
157.02943	1.3
158.03708	1.2
159.04382	2.6
161.02354	3.4
163.00252	2.9
164.01038	2.0
164.98206	3.8
165.01862	1.4
165.99016	2.7
166.99750	4.9
168.00479	2.7
169.01314	4.0
170.03545	1.2
171.04405	3.4
173.02328	2.1
174.03180	3.0
175.00266	1.1
175.03896	5.3
177.01857	2.5
177.99004	6.0
178.99797	34.0
180.00272	2.3
181.98502	2.9
183.04451	1.5
185.02167	1.4
187.03909	7.0
189.01878	4.0
190.02481	1.2
191.03430	1.9
192.00563	3.0
193.01381	2.8
194.99364	2.8
197.02397	1.9
199.03911	4.3
201.01884	3.1
202.02608	1.9
203.03435	9.6
204.04169	1.7
205.01416	2.3
206.99222	2.8
209.00853	6.7
213.01860	1.8
214.02594	2.3
215.03456	6.8
217.01299	3.6
218.01944	1.1
219.02972	2.6
225.01825	1.1
227.03447	2.8
229.01408	2.4
231.02957	8.2
232.03714	4.0
233.04433	1.5
241.01396	2.1
242.02142	3.5
243.02921	13.0
244.03644	2.3
245.00984	2.7
245.04369	1.6
246.01730	1.5
247.02344	1.5
248.03412	1.1
255.02936	2.8
257.00906	1.9
258.01624	4.6
259.02435	9.5
269.00848	2.7
270.01636	1.9
270.99762	2.2
271.02502	31.3
272.03018	4.0
274.24014	1.2
277.03473	1.3
286.01193	5.6
287.01984	36.5
288.02554	8.0
289.03473	3.9
297.00525	7.4
298.00937	2.5
299.01981	16.8
300.02747	13.0
301.03464	8.1
302.03577	1.5
303.01544	1.8
307.06573	1.3
314.00574	3.5
315.01462	100.0
316.02005	10.3
317.02972	5.8
332.01709	13.0
333.02414	4.2
473.93799	1.3
495.58398	1.2
609.15277	1.5
621.16864	1.4
633.16626	3.0
637.16211	3.3
661.15900	1.9
667.25818	1.3
673.19733	1.7
701.19281	1.7
727.17224	2.0
729.18689	4.6
745.18604	1.2
755.16791	9.8
772.95575	1.4
773.17914	22.5
774.18384	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	773.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
61.98676	0.8
69.42773	3.8
71.01244	2.2
73.02836	1.1
76.65723	0.4
84.44501	0.5
85.02806	1.4
87.00758	1.0
89.03864	0.8
93.03349	3.0
101.02319	1.6
108.02014	0.9
109.02861	0.6
111.00755	0.6
113.02327	1.5
117.03345	2.5
119.04916	1.1
121.02845	12.1
122.03618	5.4
123.04385	0.9
132.02054	1.9
133.02856	1.7
134.03630	60.7
135.04256	1.9
136.01582	0.9
137.02362	4.1
139.03896	1.6
147.04414	1.9
149.02345	17.6
149.05981	12.9
149.07169	0.9
150.03130	42.6
151.03522	2.2
154.26686	0.5
160.01576	7.9
161.02020	0.6
161.04430	0.8
163.03990	0.7
164.04706	3.3
165.05484	43.4
166.05811	1.5
175.03922	16.4
176.04172	1.0
177.01732	0.5
178.02629	18.8
179.03006	1.1
180.04245	2.5
192.04256	0.5
193.04988	100.0
194.05327	5.9
195.06560	24.9
195.07997	0.4
196.06924	1.5
205.06416	0.7
221.06044	1.3
233.06012	0.9
234.06604	0.6
235.07599	0.8
239.07111	2.2
250.06357	4.1
251.06879	0.7
253.08626	1.3
254.09375	0.7
267.06638	2.2
269.10394	0.8
282.08960	8.7
283.09134	1.1
297.11307	1.0
300.02444	0.6
341.10266	39.9
342.10587	4.0
343.08362	0.6
353.10117	0.5
371.11316	5.5
372.11859	1.0
383.13477	1.9
389.12439	34.1
390.12769	4.1
401.14398	1.9
459.03867	0.5
577.19189	15.9
578.19464	3.5
698.38599	0.6
773.26147	3.3
774.26312	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	771.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
61.98230	0.6
63.02267	0.8
65.00213	1.2
67.01759	1.5
71.01248	1.1
80.48289	0.7
80.95129	0.5
87.00764	1.0
93.03341	7.2
93.03868	0.9
107.01281	2.3
108.02076	2.1
109.02840	0.9
111.04413	1.0
113.02323	0.8
123.04478	0.8
125.43945	0.5
133.02849	1.3
134.03650	1.2
135.00793	0.9
135.04420	0.6
137.02354	0.9
148.01605	1.6
148.39792	0.6
149.02362	0.9
149.05931	0.6
150.03175	1.3
151.00272	5.8
152.01149	0.6
155.03397	0.6
160.01591	3.5
161.02357	4.2
163.00349	1.6
164.01083	1.4
165.05466	1.5
173.04475	20.1
175.03908	2.2
178.99788	4.9
187.03951	0.6
193.04991	1.7
195.06548	0.7
198.03036	0.6
199.03981	1.1
211.03821	0.6
215.03381	0.6
226.02678	2.5
227.03467	2.9
243.02983	13.4
244.03564	1.2
254.02159	2.7
255.02972	30.8
256.03348	2.3
271.02478	66.3
272.02863	6.6
273.03976	0.7
299.01978	4.6
300.02740	100.0
301.03299	16.3
302.04001	0.8
314.04422	0.7
371.10895	0.7
383.11337	0.9
516.70758	0.6
577.12268	1.1
595.05780	0.5
595.12982	23.0
596.13416	3.6
609.14264	3.2
771.17639	41.2
772.17767	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	771.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.5
62.48932	0.5
65.00240	1.3
67.01820	1.9
69.03407	0.8
70.02254	2.5
71.01292	1.0
81.03392	0.7
83.01327	0.8
85.02864	0.5
87.00784	2.6
93.03343	16.4
94.03738	0.6
98.19864	0.8
99.04427	0.7
107.01354	2.4
108.02129	1.9
109.02866	0.7
111.04481	2.3
114.36914	0.5
121.02917	1.2
124.43774	0.6
132.02148	1.1
133.02885	0.7
134.03719	0.7
135.00868	0.9
135.04456	0.5
137.02376	0.9
148.01627	1.7
149.02411	1.0
150.03215	2.2
151.00285	8.0
151.01355	0.7
155.03494	1.2
160.01558	3.2
161.02342	2.8
161.46086	0.5
163.00401	1.1
165.05525	1.5
169.01369	0.5
173.04474	16.4
174.04968	0.5
175.03966	2.3
178.99776	3.2
191.05519	0.9
193.05136	0.8
193.76566	0.6
199.04060	1.5
199.85078	0.5
201.01894	0.6
211.04063	0.8
216.04300	0.7
226.02736	2.3
227.03516	3.5
243.02975	11.9
243.05350	0.8
244.03378	1.3
254.02211	2.3
255.00241	0.9
255.02982	27.0
256.03418	2.0
271.02487	61.2
272.02963	6.2
273.04004	0.5
283.02545	0.6
299.02042	4.3
300.02762	100.0
300.76471	0.6
301.03333	14.3
314.04425	0.7
404.91702	0.6
577.11066	1.0
595.13037	20.2
596.13611	3.0
609.13989	2.4
641.68665	0.7
771.17126	24.8
772.17712	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	771.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.1
59.01256	19.9
61.98703	12.4
67.01754	1.4
69.03333	2.3
69.32354	7.1
69.32774	5.5
71.01256	14.8
72.99193	3.8
73.02833	4.4
75.00755	3.9
79.05419	2.7
81.03338	5.0
83.04893	7.1
85.02837	6.7
87.00301	1.5
87.00740	9.3
88.98674	3.9
89.02306	5.8
93.03329	24.8
95.01288	2.4
97.06464	8.2
99.00775	4.3
101.02334	4.2
108.02058	4.1
109.02867	6.0
111.04414	15.3
113.02353	7.2
117.03361	1.8
119.04897	4.5
121.02873	7.9
122.03617	16.2
123.04423	4.1
123.24796	1.6
125.02386	2.3
129.01855	1.9
132.02031	2.5
133.02844	3.2
134.03639	7.2
135.04417	3.4
136.01584	3.9
137.02342	5.3
139.03920	1.8
141.05492	5.7
145.02861	3.1
146.03632	2.4
147.04416	8.9
148.05139	3.1
149.02350	31.1
149.05983	5.4
150.03131	100.0
151.00322	2.9
151.03786	6.5
152.01039	3.0
153.01776	2.7
155.03407	17.9
159.06506	3.7
160.01505	1.7
161.02341	3.3
162.06786	2.1
163.03909	3.7
164.04692	5.1
165.05484	81.7
165.12761	4.1
165.49980	1.4
166.05774	2.0
166.99242	1.4
170.67303	1.6
173.04488	44.3
173.05995	2.7
174.03214	1.8
174.04797	2.0
175.03915	4.4
176.04543	1.6
179.07124	2.5
180.04219	6.5
181.04942	3.9
183.13837	9.1
189.05397	2.0
190.02631	2.0
190.06201	2.3
191.03397	6.1
191.05420	2.7
191.07112	2.7
193.04967	6.9
194.05757	1.6
195.06577	31.6
196.06947	1.4
205.05144	1.8
206.05670	2.7
207.06548	1.6
223.06001	1.7
238.04552	1.8
250.06111	1.9
251.07133	2.5
253.08798	2.6
255.02972	3.7
265.04959	1.9
267.03278	1.7
267.06451	2.7
271.02524	3.1
277.05023	1.8
278.05930	1.9
279.06604	2.6
280.07156	2.0
281.04523	3.1
281.07965	2.3
282.05341	5.9
285.07837	1.9
293.08008	1.5
295.06268	1.5
295.09741	8.2
295.12939	2.0
296.06830	4.4
296.10391	5.1
297.07663	10.4
298.08487	1.9
300.02734	4.2
309.07755	4.9
311.09262	3.4
312.09845	7.0
313.07156	2.7
315.07175	2.5
322.04849	4.7
323.05508	5.0
324.06262	3.9
326.07813	2.4
327.12415	6.4
336.06454	2.4
337.07202	12.5
338.07806	6.1
339.08606	5.1
341.06540	5.2
343.08008	2.7
343.11951	3.3
351.08472	1.7
352.09460	6.0
353.06601	14.4
353.10428	4.3
355.08231	4.8
356.09024	5.2
368.08942	7.8
369.09647	7.5
370.10535	6.1
371.11340	27.6
383.11346	56.3
384.11612	3.6
443.15735	2.5
460.15030	3.4
475.17783	2.6
477.19604	2.3
505.75650	1.9
519.16443	7.9
523.19806	2.9
531.16357	1.9
531.63025	1.9
543.14557	1.8
549.17657	32.9
550.18201	5.5
553.20856	9.0
567.18262	7.6
579.18341	2.0
597.19806	64.8
598.20502	9.6
666.38898	1.7
667.38879	12.2
685.39740	5.3
693.49396	2.2
711.26837	3.3
727.40216	3.7
771.25159	46.5
772.26166	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12562	1.3
57.03310	2.6
59.01247	10.1
61.98714	8.4
69.03314	5.8
71.01250	11.7
71.04885	2.9
71.53886	1.5
72.99183	1.5
73.02787	1.7
83.04911	2.9
85.02827	2.9
87.00743	5.6
89.02313	4.3
95.36093	1.5
96.95882	4.0
97.02770	1.9
97.06470	2.2
99.00743	6.7
101.02299	5.5
109.06495	2.0
111.08037	3.5
113.02324	3.4
123.08049	2.3
125.09608	5.5
130.99779	1.4
135.08002	1.4
148.05116	1.6
149.05923	1.8
151.11240	3.5
159.09999	1.5
161.04436	2.0
161.09747	3.6
163.11176	3.6
169.12280	2.7
171.10162	11.9
179.10667	6.0
181.12260	5.3
183.13820	6.8
191.65244	1.6
193.05037	1.6
196.64273	1.7
197.11766	62.5
198.12013	3.3
199.13324	4.3
207.10193	7.2
209.11766	14.7
211.13312	5.4
223.09850	1.7
223.13353	2.3
225.11241	13.6
227.12837	3.5
243.12347	6.1
253.09221	7.6
255.59354	1.5
258.94321	1.6
263.20224	2.2
289.18185	4.2
291.19620	4.9
293.21219	3.1
307.19406	2.0
309.20721	9.3
313.03616	1.8
323.22360	1.9
327.21490	2.1
343.08063	2.4
461.20438	4.4
530.14221	1.8
671.32251	2.2
751.38934	3.0
769.40198	100.0
770.40448	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	769.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03318	2.7
59.01249	10.5
61.98701	3.6
69.03332	4.0
71.01250	9.0
71.04894	1.0
71.99801	0.6
72.99187	0.9
73.02802	2.7
81.03351	0.8
83.01263	0.9
83.04905	1.1
85.02824	8.9
87.00755	4.5
89.02318	5.5
93.03368	1.0
95.01252	1.1
95.04902	2.0
96.95905	1.9
97.02835	1.8
97.06474	2.4
98.20564	1.6
99.00745	1.0
101.02322	7.3
108.66668	0.6
109.02824	1.2
109.06490	1.1
109.31679	0.6
111.04361	0.8
111.07966	0.6
113.02340	4.3
119.03379	2.1
119.08572	0.9
125.02330	1.0
125.09622	1.8
127.11224	1.0
130.99738	0.7
131.03310	0.7
133.04974	1.0
134.03572	0.9
135.04362	1.8
135.07990	0.6
137.02299	0.6
137.09631	2.8
145.04970	1.3
147.04414	1.0
149.06064	0.7
149.09694	0.7
151.11154	1.1
153.09209	1.0
161.04454	2.5
161.09641	1.2
161.13257	0.6
163.03897	1.1
163.11171	1.0
165.12798	0.7
167.10678	3.9
170.08937	0.6
171.08760	1.3
171.10201	22.8
172.10538	1.3
177.12718	0.9
179.05637	0.6
179.10706	2.4
179.14297	3.4
181.12254	1.0
183.13812	2.2
185.11781	1.4
187.11104	0.7
192.04208	0.6
193.04947	0.8
195.10120	2.2
195.13847	12.0
197.11754	7.7
201.11172	1.2
205.12268	10.0
206.12553	0.7
207.10214	1.6
209.11789	5.0
211.13350	8.2
221.11844	1.4
223.13356	100.0
224.13683	6.8
225.11252	3.5
227.12778	1.2
229.14435	4.5
235.08205	18.4
236.08627	0.7
239.12907	0.9
243.12543	0.7
253.09279	23.6
254.09659	1.5
265.84665	0.6
271.09763	1.9
289.18066	1.6
291.19534	3.4
293.21191	1.8
307.19135	0.9
309.20752	8.5
310.20999	1.5
314.07465	0.7
327.21768	69.0
328.22110	7.2
342.07639	1.0
343.07886	0.7
459.22369	15.7
460.22546	2.0
533.34766	2.0
545.29993	1.5
563.30975	3.1
564.30463	0.8
726.28833	0.8
751.39282	0.8
769.40247	12.0
770.40637	3.3
798.34467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.178
Annotation	quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
Peak:m/z	Relative Intensity
54.14867	0.3
59.01255	0.7
61.98702	0.4
63.02284	0.5
65.00199	1.7
71.01248	0.6
71.01591	0.6
73.02802	0.3
83.01265	1.0
87.00733	0.5
88.98730	0.4
91.01796	0.4
91.27209	0.3
93.03334	0.3
95.01268	0.4
101.02365	0.3
107.01275	3.0
108.02048	1.7
109.02847	1.0
113.02366	0.4
121.02865	1.3
133.02812	0.6
134.03633	2.9
135.00787	1.2
135.04391	0.6
145.02820	0.4
147.04375	0.4
148.01532	1.7
151.00285	9.3
152.00912	0.5
153.01886	0.5
159.04417	0.4
160.01590	1.1
161.02423	0.6
163.00314	1.4
164.01038	0.8
164.04622	0.3
169.01314	0.6
171.04443	0.3
171.85400	0.3
173.04584	0.3
174.03085	0.4
175.03970	0.8
177.05444	0.4
178.99791	4.7
183.04437	0.6
187.03983	0.3
192.00578	0.7
193.04924	0.6
199.03905	1.4
201.01910	0.3
203.03520	0.7
204.83871	0.3
205.15202	0.3
211.03906	0.8
215.03514	0.8
216.04179	0.7
222.53183	0.3
226.02702	1.9
227.03464	3.6
229.05093	0.5
243.02969	13.2
244.03380	1.1
254.02237	2.7
255.02982	30.7
256.03339	2.3
271.02478	64.4
272.02914	7.5
273.04230	0.3
283.02405	0.6
299.02002	3.8
300.02750	100.0
301.03351	17.6
302.03958	1.0
314.04269	0.5
343.04434	0.4
370.84723	0.3
383.06180	0.4
395.14090	0.3
463.09067	0.6
577.11981	10.5
578.12378	1.5
595.13037	42.7
596.13348	7.2
609.15033	0.6
614.94318	0.3
685.40790	0.4
771.17737	22.0
772.18085	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29308	0.3
57.03311	0.4
59.01250	6.2
61.98706	0.6
71.01256	3.0
71.54107	0.4
71.54510	0.6
73.02818	2.1
75.00754	0.6
81.03233	0.3
83.01307	0.4
83.04901	0.4
85.02829	1.3
87.00754	2.0
89.02327	1.3
89.03838	2.4
93.03314	0.4
99.00772	2.9
101.02330	1.3
106.04082	0.5
106.74916	0.3
111.00748	0.5
113.02323	2.2
117.03339	5.9
119.04997	0.8
121.02873	0.6
123.00729	0.4
129.01851	0.4
132.02058	1.6
134.03638	82.1
135.03937	3.9
137.02336	0.9
147.04419	1.1
149.02458	0.5
149.04602	0.5
149.06007	6.3
150.03072	0.5
150.06313	0.5
153.09210	0.3
160.01576	7.9
161.01958	0.4
161.04485	0.6
163.03928	0.6
173.04430	0.4
175.03925	7.9
178.02667	1.0
183.43629	0.4
188.04697	0.3
191.03433	0.5
191.05424	0.5
193.04999	100.0
194.05334	6.4
194.07022	0.3
195.06522	0.4
205.12273	0.5
223.13332	0.8
249.11147	0.4
267.12329	0.5
343.08182	0.7
357.26279	0.5
413.10587	0.5
444.38129	0.3
487.25418	1.0
517.22913	0.8
519.31653	2.1
529.26581	0.7
561.23474	0.7
561.32178	0.5
614.12671	0.4
723.32343	5.0
724.32788	1.5
767.34125	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	767.46
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67256	1.6
54.34524	1.1
59.01255	15.0
61.98703	3.9
70.76134	2.9
70.76510	2.8
71.01252	2.8
74.41497	1.2
78.95780	2.2
79.95592	1.5
80.96385	8.4
82.95969	2.9
85.02856	2.0
94.97970	1.5
101.02326	1.5
113.02313	1.5
118.41599	1.3
156.13910	1.4
161.04396	1.5
164.98566	1.5
178.39413	1.4
182.25983	1.4
183.13818	6.5
193.12283	1.5
211.13342	100.0
212.13678	5.6
225.00706	2.0
235.08247	1.9
253.09282	7.7
255.23264	2.9
277.21716	55.9
278.22067	6.7
447.22214	6.4
476.80988	1.2
613.54498	1.3
633.37158	1.5
767.41449	12.7
768.43085	2.5
789.42804	1.5
794.63324	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	769.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03319	5.6
59.01250	70.9
60.01575	1.4
61.98705	5.9
69.03330	0.9
71.01253	21.3
71.54531	1.5
72.99186	2.0
73.02830	7.3
75.00757	2.7
79.95634	1.2
80.96384	3.4
83.04900	2.2
85.02824	6.7
87.00763	10.9
87.06897	1.0
88.98695	1.4
89.02318	11.8
93.03354	4.5
95.01263	3.4
96.95904	3.4
97.02827	1.4
97.06455	1.3
99.00758	20.1
99.04417	1.6
101.02340	9.6
107.04904	2.9
109.02855	1.4
113.02321	10.1
116.92728	1.2
117.03359	1.3
119.03409	2.0
119.04931	2.3
120.05659	1.1
121.02838	2.2
123.04438	1.3
125.02310	1.1
128.86418	1.0
131.03409	2.2
134.03636	9.5
134.16301	1.0
135.04437	3.4
137.02356	2.4
138.01848	5.9
143.03296	0.9
145.02834	3.2
147.04433	3.4
148.05200	1.6
149.02438	1.9
149.04494	4.0
149.05963	2.5
150.03127	1.7
152.04694	1.2
153.01842	1.2
160.01633	1.6
161.02231	1.3
161.04474	2.8
161.09647	8.5
161.13249	3.9
162.09978	1.2
163.03908	3.4
163.11194	4.5
164.04614	1.0
167.03508	1.0
173.04433	2.8
174.03185	1.3
175.03906	2.5
179.10840	1.2
181.05132	1.1
187.03864	1.4
187.11229	11.9
188.11539	1.7
189.09152	4.8
189.12750	2.0
191.03491	1.7
191.05553	5.8
193.05005	6.8
194.05374	1.6
197.11653	1.6
205.12245	7.2
207.10257	5.8
207.13847	1.6
208.10623	1.3
219.13872	1.6
223.13339	20.7
224.13635	1.6
249.11293	9.9
253.04971	8.1
263.12903	1.4
267.12390	9.6
268.07025	1.1
279.07022	1.3
295.05890	1.0
343.08362	2.1
346.13943	1.0
353.10339	3.1
354.10739	1.4
361.16510	3.1
387.20181	1.9
415.16153	1.3
501.23953	1.2
519.24396	20.5
520.24927	3.1
521.33209	10.0
526.07379	1.4
662.91791	1.1
725.26050	1.2
751.22247	1.3
751.34302	1.8
769.36542	100.0
770.36914	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13099	2.5
55.98765	2.9
57.03313	6.4
59.01248	46.9
62.60478	2.6
68.99702	3.4
71.01250	44.2
71.54325	5.2
72.99169	12.5
73.02796	7.0
75.00737	28.8
77.24464	2.6
85.02825	44.9
87.00755	28.4
88.98697	5.9
89.02308	11.6
91.05381	5.7
93.03333	4.9
95.01260	11.5
95.04887	4.1
96.12335	2.7
98.10826	2.6
99.00752	27.3
101.02333	4.2
102.96336	2.6
103.00250	6.8
105.03322	6.0
106.36549	2.6
108.02062	4.0
109.02846	3.5
111.00763	3.7
113.02328	59.1
113.03121	2.0
117.01802	5.6
117.03349	26.3
119.04916	52.1
121.02854	9.2
122.03623	13.9
123.04353	4.5
127.03881	3.4
129.01852	3.5
129.03340	3.4
133.02763	4.8
134.03621	21.0
137.02341	49.0
139.03897	24.0
145.02858	74.8
146.03294	3.1
147.04417	100.0
148.05188	37.4
149.02345	3.5
157.01271	3.9
160.01472	3.6
161.02359	3.7
163.03928	56.8
164.04652	8.0
165.01804	3.6
173.02382	6.0
174.03110	13.1
175.02414	5.7
175.03925	8.7
177.01819	3.7
191.03395	8.6
192.04199	49.5
193.04964	24.2
194.05371	3.0
202.02740	4.0
207.02895	9.8
209.11780	3.4
214.02596	5.0
215.03401	4.2
220.10693	2.9
224.03162	11.3
229.04956	4.2
235.06073	3.8
236.03224	28.9
249.06058	29.2
250.06387	4.9
251.07047	5.9
261.05585	3.9
263.07214	3.7
264.07874	7.0
265.04987	6.1
267.07111	82.1
268.07431	5.5
279.06580	13.5
279.10150	6.4
280.07355	8.7
282.08926	4.9
294.05319	4.5
294.08911	12.5
295.05908	2.8
305.04416	4.1
308.06714	6.5
309.07602	8.3
320.06827	4.0
323.05508	5.6
323.09183	13.5
333.09772	86.4
333.78387	2.9
334.10333	6.5
338.08069	8.4
339.08698	6.2
341.10220	12.0
343.08359	5.5
351.11014	6.1
353.10278	57.2
354.10599	5.1
371.11319	7.7
378.63965	3.0
379.16891	3.3
395.09848	7.9
413.10861	60.9
414.11313	5.8
485.13040	3.5
519.31580	4.5
561.32281	3.9
574.15875	3.0
585.15430	5.3
591.16937	23.4
592.17456	5.6
603.17224	63.3
604.17438	9.9
621.18286	44.8
622.18445	6.4
737.20605	28.3
738.21185	4.9
749.20905	39.6
750.21655	8.6
767.21765	48.3
767.33917	8.7
768.21503	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	769.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68314	0.8
57.03308	1.6
57.22123	0.9
59.01253	9.8
61.98701	7.0
65.54904	0.8
69.03322	7.3
69.30409	2.3
69.30829	5.7
71.01246	8.4
71.04893	2.7
73.02821	2.0
75.00714	1.1
80.50687	0.9
83.01275	1.3
83.04893	1.3
85.02853	2.2
87.00744	3.7
89.02300	3.4
92.12460	0.9
95.57776	0.8
96.95882	2.0
97.02824	2.3
97.06458	2.2
98.94659	0.8
101.02319	4.9
109.06476	2.0
111.08046	4.7
113.02315	3.1
121.06503	1.0
123.08039	1.8
125.09599	3.9
137.02380	1.1
142.50586	0.8
147.04495	1.3
151.11176	4.0
153.12773	1.8
161.04475	2.0
161.09637	4.3
163.11168	2.6
163.82941	0.9
165.12738	1.8
169.12187	2.2
171.10225	5.0
173.05939	0.9
178.46555	0.9
179.10728	9.0
183.13867	4.3
185.11848	0.9
193.05086	1.1
197.11755	77.0
198.12096	4.5
199.13393	1.3
201.09277	0.9
207.10214	2.2
209.11804	6.7
211.13344	3.6
223.09717	2.2
223.13275	2.2
225.11282	5.5
227.12860	1.8
232.85207	1.0
241.10718	2.8
247.20663	1.1
251.65295	0.9
253.09229	5.3
273.18582	1.4
274.28461	0.8
289.18213	1.7
291.19638	6.0
292.19846	0.9
293.21106	1.7
307.19028	2.5
309.20657	6.5
327.21735	2.5
343.08261	1.4
447.04816	0.9
477.19989	2.0
751.39435	1.9
769.40161	100.0
770.40540	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	767.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03313	4.9
59.01253	37.9
61.98689	2.5
68.99686	3.8
69.03310	4.6
71.01257	48.5
71.54390	2.5
72.99187	17.6
73.02824	6.9
73.73621	1.6
75.00748	32.6
78.13202	1.6
83.04896	1.9
83.35992	2.1
85.02830	49.6
87.00310	2.0
87.00761	26.3
88.98670	5.8
89.02320	11.6
89.03851	2.0
91.05420	3.1
93.03330	4.8
95.01257	13.2
96.95866	3.1
99.00767	32.2
101.02311	7.2
103.00227	5.1
105.03335	2.6
108.02044	4.8
109.02834	2.3
111.00787	3.0
112.01552	1.6
113.02342	59.3
115.00262	5.9
116.96028	1.7
117.01818	5.7
117.03355	32.2
119.04928	60.5
120.05170	2.1
121.02843	10.1
122.03626	4.8
123.04385	5.3
123.44431	1.7
124.01495	2.1
125.02322	1.7
127.03880	1.5
129.01839	5.5
129.03355	2.3
131.03365	2.5
133.02812	5.4
134.03633	20.3
135.04341	1.9
137.02357	39.8
139.03935	14.3
142.73335	1.5
145.02872	81.0
146.03284	2.3
147.04431	63.0
148.04251	1.8
148.05219	24.9
149.02357	1.9
149.04482	1.7
149.05893	3.5
150.03108	3.0
151.03893	1.8
152.58287	2.0
159.04404	4.2
160.01494	4.2
161.02312	3.9
162.03119	2.1
162.06715	1.6
163.03923	45.8
164.04625	5.4
165.03995	2.5
165.05438	2.8
173.02344	3.9
173.04482	2.4
173.05954	2.3
174.03181	14.1
175.02383	6.4
175.03915	7.9
176.04630	1.9
177.01796	2.1
177.05429	2.4
179.03391	3.3
181.08698	2.1
188.04750	2.4
189.05453	1.6
191.03372	7.0
191.05525	2.9
191.07109	1.9
192.04210	33.0
193.03487	2.8
193.04999	33.3
202.02563	4.9
206.02274	2.7
207.02884	5.4
207.04781	2.1
209.11774	3.3
215.03300	2.1
217.04930	3.3
220.03758	2.6
223.05920	2.0
224.03165	4.3
227.12891	1.7
229.05013	2.6
236.03224	21.9
236.08249	2.2
237.03529	2.0
237.05594	3.7
237.07571	2.1
239.07256	2.1
249.06117	31.6
250.06320	2.8
251.07153	7.6
261.07755	2.9
263.07086	4.8
264.07785	3.9
265.04950	5.0
265.08646	2.1
267.07184	100.0
268.07379	5.6
277.04910	3.2
278.05734	4.4
279.06555	11.1
279.10199	5.4
280.07281	5.1
281.08176	2.7
282.08929	5.9
283.09628	4.4
293.04642	4.2
293.08063	3.6
294.05212	4.5
294.08905	9.2
295.06082	2.9
295.09470	2.4
297.10995	2.0
305.04678	2.1
308.06787	5.9
309.07510	5.4
313.03409	3.0
321.07779	2.4
322.08362	3.8
323.05499	6.8
323.09192	18.4
326.07986	2.4
333.09836	57.9
334.10046	4.8
338.07822	8.7
339.08661	8.5
341.10428	8.9
351.10666	6.0
353.10281	60.1
354.10599	6.7
371.11520	10.9
395.09695	7.3
410.42914	1.6
413.10910	75.0
414.11038	5.5
427.13937	3.3
485.12607	2.6
501.31079	1.8
519.31348	2.6
561.32422	2.2
573.17078	3.0
585.15845	6.6
591.17163	22.1
592.17596	3.0
603.17163	66.4
604.17609	7.9
621.18268	53.6
622.18347	7.4
631.16211	4.0
723.29462	2.3
737.20789	32.2
738.21185	5.5
749.20905	38.9
750.21246	5.3
767.21741	58.6
767.34320	9.8
768.22327	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	767.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.9
58.25504	1.8
59.01251	24.8
68.99693	3.0
70.73431	4.8
71.01257	26.4
72.99184	5.6
75.00747	19.1
83.01276	2.6
85.02826	23.4
87.00749	11.8
88.98701	4.0
89.02307	4.8
91.05412	4.8
93.03321	2.7
95.01255	5.8
95.04910	3.4
97.06434	3.3
99.00762	11.8
101.02316	2.4
103.00251	3.4
105.03333	6.8
107.30154	1.8
108.02043	3.6
113.02335	34.1
117.01820	3.3
117.03323	13.3
119.04912	36.5
121.02855	10.2
122.03622	6.5
133.02829	2.1
134.03641	15.5
137.02341	50.8
139.03899	23.2
145.02859	34.0
146.03220	3.1
147.04422	89.9
147.05603	4.3
148.05211	35.8
149.05791	3.5
158.03561	2.2
159.04385	2.5
163.03926	33.4
164.04597	4.9
165.05461	4.0
173.02252	2.4
174.03104	6.4
175.02335	2.7
175.03876	5.1
191.03438	11.3
192.04211	58.8
193.04990	22.0
198.06647	2.1
205.05193	2.0
207.02898	7.5
207.10280	1.8
223.07607	2.4
224.03239	5.4
236.03215	35.5
245.11865	1.9
249.06120	14.3
250.06447	3.6
263.07053	4.2
265.04926	2.6
267.07184	51.5
268.07501	6.2
279.06528	5.6
279.10172	4.8
280.07343	2.7
282.09027	4.1
293.04431	2.6
294.08945	6.2
323.05743	3.0
323.09073	10.8
333.09808	100.0
334.10098	10.7
338.07980	6.1
339.08591	3.5
341.10159	4.8
351.10785	5.3
353.10345	37.3
354.10721	5.5
371.11295	5.8
395.09891	4.6
413.10867	43.4
414.11295	3.6
485.12878	2.8
519.31677	2.6
561.23615	2.7
561.32452	4.1
585.16498	3.2
591.17224	13.6
603.17169	41.0
604.17554	5.4
621.18323	25.5
622.18341	5.6
737.20868	17.2
738.21350	5.3
749.21014	21.1
750.21094	6.5
767.21710	30.9
767.34088	4.8
768.21619	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	765.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.1
71.01257	1.8
72.99184	0.4
73.02828	0.9
85.02834	0.4
87.00765	0.4
89.02322	1.1
89.03835	1.7
96.95869	0.2
99.00762	2.5
101.02338	0.5
106.04155	0.5
108.02077	0.2
109.07623	0.2
113.02348	1.0
117.02557	0.4
117.03355	5.3
117.04192	0.3
119.04926	0.4
121.02883	0.3
125.02310	0.3
131.03397	0.4
132.02072	2.2
133.02856	0.2
134.03633	78.9
135.03917	3.1
137.02335	0.7
139.03870	0.2
143.03412	0.2
147.04436	0.4
149.02312	0.5
149.04526	0.6
149.05988	6.2
160.01569	7.0
161.02061	0.4
161.04430	0.3
163.03899	0.3
175.03928	9.5
176.04257	0.6
178.02602	1.2
191.05553	0.4
193.04993	100.0
194.05336	4.6
203.05478	0.3
223.05870	0.2
235.06105	0.2
265.07095	0.2
286.00726	0.2
297.91223	0.2
316.82281	0.2
321.82767	0.2
337.09140	0.3
355.40839	0.2
357.05890	0.3
358.06918	0.7
367.10150	0.4
429.16125	0.2
485.23877	0.6
527.24530	0.3
721.30780	5.1
722.30988	1.2
765.32416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.9
59.65648	0.5
60.65057	0.5
61.98701	0.7
69.39525	3.5
69.39925	0.8
71.01257	2.9
71.45308	0.5
72.99170	0.8
73.02840	1.6
75.00779	0.7
85.02850	1.3
87.00753	2.2
89.02319	1.3
89.03837	1.8
93.03373	1.0
96.95904	1.1
98.19798	0.9
99.00753	3.7
99.92448	0.6
101.02319	1.2
108.02002	0.6
113.02304	1.2
114.85217	0.5
117.03365	5.3
119.04931	0.9
121.02828	0.9
122.03683	0.6
132.02072	2.0
132.55382	0.5
134.03635	78.2
135.03889	2.9
137.02359	1.3
146.03671	0.8
147.04431	2.0
149.02341	1.2
149.04765	0.7
149.05988	6.7
150.03142	1.2
159.04427	0.6
160.01572	9.3
161.02103	0.6
161.06029	0.6
163.03925	1.0
165.05452	1.4
173.04448	0.7
174.03189	0.6
175.02501	1.0
175.03934	10.4
177.01755	0.5
177.86967	0.5
178.02597	1.6
179.03363	0.5
188.04645	0.7
189.05510	0.8
191.05516	1.1
192.04237	0.5
193.04997	100.0
194.05321	5.7
209.11798	0.8
265.07224	1.0
307.08496	0.5
312.62744	0.5
313.03659	0.6
339.15854	0.5
343.08032	1.4
357.05960	0.6
358.07068	0.8
359.07452	0.7
367.10208	1.4
485.24222	0.7
617.28033	0.6
721.30536	3.8
765.32697	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	765.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	0.6
59.01254	5.6
61.09007	0.5
61.98711	0.8
69.93681	0.8
69.94088	1.2
71.01258	2.2
72.99177	0.6
73.02811	1.3
75.00742	0.7
85.02352	0.5
85.02824	2.5
87.00758	4.7
89.02322	0.9
89.03857	1.9
92.19981	0.4
93.03342	1.0
96.58092	0.5
96.95930	0.5
99.00774	1.1
101.02332	1.2
107.01356	0.5
108.02025	0.5
109.02846	0.6
113.02358	1.8
117.03350	4.8
119.04899	1.1
121.02778	0.5
123.04417	0.5
130.99744	1.0
132.02068	1.3
134.03636	79.9
135.03902	3.1
137.02333	1.9
139.03951	0.8
145.02832	0.7
146.03674	0.5
147.04459	3.7
148.05171	0.7
149.02339	0.6
149.05994	6.5
150.03125	0.5
151.00253	0.6
159.04330	0.7
160.01590	6.7
161.02261	0.5
161.04550	0.5
163.03911	0.9
172.05228	0.6
173.04517	0.5
173.05873	0.6
175.02501	0.6
175.03925	8.7
175.07587	0.5
178.02650	3.2
185.05934	0.8
185.54698	0.4
187.03848	0.5
191.03419	1.0
192.04245	0.8
193.04997	100.0
194.05312	5.4
196.05206	0.5
201.05405	0.9
211.07605	0.6
211.13345	0.7
227.03265	0.5
228.03883	0.5
283.05942	0.6
284.03201	4.2
285.03653	3.7
286.03973	2.0
299.05652	5.8
300.02792	0.8
300.05930	5.7
301.06314	3.9
301.10492	0.5
343.08197	1.3
345.05954	0.5
357.06216	0.7
358.06995	2.5
359.07370	1.4
360.07578	0.5
485.23965	2.5
527.24921	1.6
545.25995	1.0
549.17590	0.5
624.18439	0.7
721.30444	2.4
765.33331	1.8
766.32672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01251	7.1
61.98706	4.2
70.43115	0.5
71.01257	6.0
73.02821	1.8
74.27518	0.5
75.00744	2.2
83.01271	0.8
85.02811	3.5
87.00755	5.0
88.98679	1.1
89.02306	3.1
89.03858	1.7
91.05410	1.3
93.03334	1.0
95.04914	0.9
96.95839	0.7
98.20547	2.2
99.00755	5.4
101.02322	1.7
103.05422	0.7
105.03348	1.2
111.00764	0.7
113.02339	1.9
117.03368	5.5
119.04915	1.9
121.02822	1.4
123.04398	0.7
125.02360	0.7
130.99751	0.7
132.02055	2.0
134.03633	78.8
135.04025	2.0
137.02327	3.0
139.03918	1.1
145.02850	0.7
146.03720	0.7
147.04416	8.4
148.05208	2.9
149.04494	1.3
149.05992	6.8
160.01575	7.2
161.02332	0.8
163.03888	1.3
164.04756	1.2
165.12730	0.6
173.06000	1.4
174.03067	0.7
175.03932	11.1
175.07436	0.8
178.02689	1.9
187.07637	0.9
189.05585	0.8
191.03427	1.5
191.05415	0.9
192.04198	2.5
193.04996	100.0
194.05360	4.7
201.09157	0.8
209.11827	1.4
211.13289	0.9
229.64885	0.8
267.06912	0.6
297.14996	0.8
313.03354	0.6
341.17163	0.9
343.08224	1.0
358.06912	1.8
409.65640	0.6
417.13187	0.7
595.72949	0.7
617.72601	1.9
618.22717	1.1
643.95337	0.6
668.66876	0.6
721.30536	5.3
722.31531	1.5
747.32507	0.8
751.76593	0.7
765.33044	1.6
765.44812	9.4
766.33380	0.9
766.45526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01251	7.1
61.98706	4.2
70.43115	0.5
71.01257	6.0
73.02821	1.8
74.27518	0.5
75.00744	2.2
83.01271	0.8
85.02811	3.5
87.00755	5.0
88.98679	1.1
89.02306	3.1
89.03858	1.7
91.05410	1.3
93.03334	1.0
95.04914	0.9
96.95839	0.7
98.20547	2.2
99.00755	5.4
101.02322	1.7
103.05422	0.7
105.03348	1.2
111.00764	0.7
113.02339	1.9
117.03368	5.5
119.04915	1.9
121.02822	1.4
123.04398	0.7
125.02360	0.7
130.99751	0.7
132.02055	2.0
134.03633	78.8
135.04025	2.0
137.02327	3.0
139.03918	1.1
145.02850	0.7
146.03720	0.7
147.04416	8.4
148.05208	2.9
149.04494	1.3
149.05992	6.8
160.01575	7.2
161.02332	0.8
163.03888	1.3
164.04756	1.2
165.12730	0.6
173.06000	1.4
174.03067	0.7
175.03932	11.1
175.07436	0.8
178.02689	1.9
187.07637	0.9
189.05585	0.8
191.03427	1.5
191.05415	0.9
192.04198	2.5
193.04996	100.0
194.05360	4.7
201.09157	0.8
209.11827	1.4
211.13289	0.9
229.64885	0.8
267.06912	0.6
297.14996	0.8
313.03354	0.6
341.17163	0.9
343.08224	1.0
358.06912	1.8
409.65640	0.6
417.13187	0.7
595.72949	0.7
617.72601	1.9
618.22717	1.1
643.95337	0.6
668.66876	0.6
721.30536	5.3
722.31531	1.5
747.32507	0.8
751.76593	0.7
765.33044	1.6
765.44812	9.4
766.33380	0.9
766.45526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90861	1.9
62.88611	1.6
63.06248	2.0
63.96119	2.2
70.03846	4.6
70.04242	4.2
71.01268	11.1
78.95773	2.8
78.98465	10.0
79.95605	15.5
80.96393	100.0
87.00746	2.6
87.01671	1.8
94.97963	21.3
101.02280	1.8
102.53751	1.7
105.64019	2.0
106.15312	2.1
106.97955	4.2
109.88707	1.9
110.76701	1.6
122.97463	5.0
125.02334	3.7
134.97447	6.9
148.99017	8.4
152.98537	9.1
164.98546	16.4
183.13812	4.2
225.00697	30.8
239.18558	2.1
255.23311	3.5
307.33505	2.1
765.41077	91.5
766.41180	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	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07773	0.2
59.01247	0.7
60.99179	17.8
61.46229	0.1
61.98689	0.7
71.01258	0.4
71.53030	0.1
71.53534	0.2
87.00751	2.4
88.00272	2.1
88.01100	0.3
88.98681	100.0
89.02316	13.6
89.77016	0.2
89.99018	1.0
90.02643	0.2
90.88051	0.2
100.38835	0.2
101.02300	0.3
113.02382	0.2
114.57346	0.2
147.04439	0.2
214.46730	0.2
223.13200	0.2
231.14006	0.2
232.95264	0.2
256.21268	0.2
277.21686	0.7
289.18164	0.2
361.66260	0.2
374.82352	0.2
397.13538	1.1
415.14685	0.4
473.55737	0.2
613.02368	0.2
685.33929	0.2
765.40350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50832	0.5
58.65637	0.4
59.01252	1.0
61.98703	10.2
63.96101	1.8
69.03326	0.5
71.01254	8.1
73.02821	2.2
78.98465	6.1
79.95262	0.3
79.95609	13.9
80.96392	73.0
81.03333	1.0
87.00758	2.9
89.47639	0.5
94.97958	16.5
96.44592	0.5
96.95883	1.0
97.02820	1.7
99.00766	0.7
101.02338	2.4
105.03316	0.4
106.97958	3.3
113.80761	0.5
122.97475	3.3
125.02352	3.7
127.03896	0.8
134.97487	5.3
136.99017	1.7
148.99060	5.9
152.98544	5.9
164.98553	12.6
206.99644	2.8
209.11769	1.8
225.00705	22.0
226.00990	1.4
255.23248	1.0
280.16095	0.5
296.85376	0.5
406.75754	0.6
502.20062	0.8
509.16809	3.3
537.27124	1.6
589.50665	0.6
607.53955	0.6
765.41016	100.0
766.41339	21.3
784.97534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04655	0.3
58.77798	0.2
59.01238	0.8
60.99178	16.9
61.98700	0.9
62.90121	0.2
70.44863	0.5
70.45242	0.5
70.82639	0.2
71.01237	0.5
75.00768	0.3
81.55424	0.2
83.83668	0.2
87.00740	2.9
88.00272	2.4
88.98678	100.0
89.02312	16.8
89.99030	0.9
92.17876	0.3
101.02353	0.4
121.02781	0.2
130.99843	0.2
147.04401	0.4
223.13135	0.3
277.21704	0.6
321.54745	0.3
397.13519	0.9
411.84143	0.2
517.49084	0.2
764.43402	0.3
765.43243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96098	1.5
69.03319	1.0
69.80824	3.6
71.01254	5.9
73.02819	2.1
78.95757	1.1
78.98460	5.5
79.95603	11.9
80.96387	69.8
83.82204	0.8
85.02813	2.9
87.00745	2.4
87.62949	0.8
94.97385	1.2
94.97958	15.5
96.95878	1.4
97.02801	2.3
99.00775	0.8
101.02288	1.8
106.97948	2.7
122.97434	2.9
125.02305	2.2
134.97470	4.8
136.99010	1.1
148.99011	5.4
152.98557	5.1
164.98550	10.7
206.99544	2.7
225.00674	19.8
255.23187	2.5
479.15906	1.1
507.15479	3.1
537.27264	1.5
763.39398	100.0
764.39764	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	763.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
55.84405	0.7
57.03308	2.4
59.01255	10.7
61.98689	2.9
62.23421	0.8
66.08141	0.8
68.99714	1.3
71.01256	17.2
71.53481	1.1
72.99159	1.7
73.02809	2.3
75.00747	10.5
81.73756	0.8
83.01260	1.9
85.02829	8.2
87.00765	1.2
89.02306	5.3
95.01299	1.5
99.00758	8.9
113.02366	4.9
129.01848	0.9
137.02361	1.0
157.01360	1.0
184.96553	0.8
242.05815	0.8
286.99951	0.9
400.76862	0.9
455.35400	6.5
456.35452	1.0
494.89438	1.0
569.38470	5.5
613.37140	3.2
656.33038	1.0
763.42755	100.0
764.43018	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	765.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01263	2.8
61.98698	1.8
71.01244	1.5
71.53648	0.6
79.68066	0.5
80.96394	3.6
82.91416	0.5
83.83231	0.4
85.02825	1.2
87.00761	2.8
93.03326	1.0
94.97937	1.5
97.02847	0.5
99.00777	0.8
101.02329	0.6
105.03311	0.5
113.02317	1.1
117.03362	5.2
119.04915	58.5
120.05242	2.0
121.02816	1.3
129.42938	0.5
130.66020	0.5
130.99763	0.6
133.02850	4.6
134.03604	0.7
135.04482	0.6
137.02350	2.1
142.51561	0.5
145.02849	15.9
147.04375	4.4
148.04993	0.8
159.04343	0.7
163.03915	100.0
164.04269	4.2
175.03981	0.9
192.04027	1.2
193.04961	1.2
209.11736	0.8
211.13400	1.2
225.00661	1.3
239.10750	8.8
240.11035	0.6
293.21414	0.7
515.19226	1.4
575.20856	0.8
612.85406	0.5
687.58307	0.6
721.24866	1.6
722.25696	0.6
765.33911	7.4
766.35132	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	765.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98428	0.2
56.07826	0.3
59.01249	1.7
61.98705	15.8
63.05655	0.3
69.96782	0.6
69.97180	0.7
71.01257	1.1
72.51644	0.3
72.99198	0.6
73.02807	0.5
75.00738	0.6
85.02835	0.8
87.00761	1.9
89.02330	0.5
93.03342	0.9
93.99115	0.3
99.00777	0.6
101.02330	0.3
101.08691	0.3
113.02335	1.3
117.03346	4.9
119.04919	56.1
120.05251	1.9
121.02871	0.6
133.02858	5.9
134.03609	0.8
137.02290	0.7
143.98219	0.3
145.02859	14.0
146.03282	0.4
147.04434	1.2
163.03920	100.0
164.04266	4.3
175.03935	0.3
191.03444	0.7
192.04150	0.4
193.05029	0.5
211.13295	0.7
239.10744	8.0
240.11081	0.8
277.54385	0.3
515.19421	1.8
557.21051	0.4
575.21161	0.5
626.27667	0.3
721.25165	2.8
722.25342	0.5
765.35431	1.1
787.89056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	0.6
59.01254	5.6
61.09007	0.5
61.98711	0.8
69.93681	0.8
69.94088	1.2
71.01258	2.2
72.99177	0.6
73.02811	1.3
75.00742	0.7
85.02352	0.5
85.02824	2.5
87.00758	4.7
89.02322	0.9
89.03857	1.9
92.19981	0.4
93.03342	1.0
96.58092	0.5
96.95930	0.5
99.00774	1.1
101.02332	1.2
107.01356	0.5
108.02025	0.5
109.02846	0.6
113.02358	1.8
117.03350	4.8
119.04899	1.1
121.02778	0.5
123.04417	0.5
130.99744	1.0
132.02068	1.3
134.03636	79.9
135.03902	3.1
137.02333	1.9
139.03951	0.8
145.02832	0.7
146.03674	0.5
147.04459	3.7
148.05171	0.7
149.02339	0.6
149.05994	6.5
150.03125	0.5
151.00253	0.6
159.04330	0.7
160.01590	6.7
161.02261	0.5
161.04550	0.5
163.03911	0.9
172.05228	0.6
173.04517	0.5
173.05873	0.6
175.02501	0.6
175.03925	8.7
175.07587	0.5
178.02650	3.2
185.05934	0.8
185.54698	0.4
187.03848	0.5
191.03419	1.0
192.04245	0.8
193.04997	100.0
194.05312	5.4
196.05206	0.5
201.05405	0.9
211.07605	0.6
211.13345	0.7
227.03265	0.5
228.03883	0.5
283.05942	0.6
284.03201	4.2
285.03653	3.7
286.03973	2.0
299.05652	5.8
300.02792	0.8
300.05930	5.7
301.06314	3.9
301.10492	0.5
343.08197	1.3
345.05954	0.5
357.06216	0.7
358.06995	2.5
359.07370	1.4
360.07578	0.5
485.23965	2.5
527.24921	1.6
545.25995	1.0
549.17590	0.5
624.18439	0.7
721.30444	2.4
765.33331	1.8
766.32672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	27.8
78.95794	9.7
82.17010	6.8
88.92675	6.5
113.78905	6.8
119.22294	5.9
152.99559	8.2
209.11777	56.2
227.12834	8.4
253.09221	9.8
256.09024	6.9
277.21686	100.0
278.22040	9.7
279.23300	12.9
290.65497	7.9
379.06641	6.5
435.94922	6.7
499.23489	8.2
647.91406	7.6
759.42334	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.3
60.66676	4.1
61.98698	22.7
69.94727	10.1
69.95114	11.9
78.95794	5.4
97.83694	5.0
98.19792	7.1
106.09570	4.2
209.11783	100.0
227.12888	20.4
253.09253	9.9
276.47400	4.8
277.21695	58.7
279.23303	10.4
334.74094	4.5
445.20743	5.8
560.34009	7.2
759.40399	22.1
760.42102	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	759.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17917	1.4
59.01262	9.3
61.86913	1.2
61.98706	14.2
71.01253	3.7
71.53133	1.8
71.53515	1.7
85.02813	1.6
87.00748	4.9
89.02345	2.5
97.02837	1.9
101.02298	3.3
111.08040	2.8
125.09628	1.9
127.11178	2.8
147.04367	2.2
161.04428	1.8
171.10182	100.0
172.10504	4.4
197.11774	12.7
209.11775	5.3
211.13411	2.2
227.03409	1.5
235.08189	5.7
253.09285	13.5
291.19687	15.6
292.19937	1.9
295.22833	2.6
309.20718	38.4
310.20981	3.1
343.08179	1.8
407.19186	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	761.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
61.98687	0.4
62.81808	0.3
66.33844	0.3
69.38320	0.5
69.38729	2.2
71.01251	0.8
72.16803	0.3
73.02801	0.4
77.66417	0.3
87.00723	1.1
91.01784	0.4
91.05416	0.6
93.03326	0.6
93.63174	0.3
108.02065	0.6
109.02834	2.7
119.04932	0.5
121.02833	1.4
123.04401	0.8
134.03647	1.3
135.00761	0.6
135.04417	7.5
136.04713	0.3
147.04417	1.4
149.05946	2.2
153.01845	0.4
160.01526	0.5
161.02368	0.6
163.03911	0.5
175.03931	0.6
182.03619	0.6
185.02432	0.4
185.81360	0.4
187.03874	0.4
190.02620	0.6
193.05002	1.1
198.03006	0.5
210.03178	1.3
212.08156	0.4
226.02707	1.1
227.03537	0.4
237.01814	1.0
238.02728	1.7
239.03319	0.7
241.05046	0.4
248.06941	0.7
253.01204	0.4
253.05038	0.5
254.02158	5.1
255.02861	0.4
265.01437	0.8
266.02060	0.9
267.02963	2.3
268.03580	0.6
269.04553	8.5
270.04883	1.0
271.02530	0.8
271.09747	15.8
272.10056	1.0
281.01334	0.8
281.04581	2.5
282.01700	0.9
283.06177	1.6
296.03082	0.7
297.04031	73.6
298.04407	6.7
300.02707	0.8
311.05588	3.5
312.06360	15.3
313.03540	0.5
313.06583	1.7
327.08725	100.0
328.06131	0.4
328.09052	10.1
343.92175	0.4
404.37137	0.4
420.85638	0.4
433.15054	1.8
449.71283	0.4
537.03851	0.4
583.88361	0.4
611.90851	0.4
717.28906	0.5
725.17682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71864	0.7
59.01245	10.4
61.98716	1.3
69.03319	1.3
71.01248	7.4
73.02814	2.7
85.02829	2.2
87.00743	5.0
89.02298	3.1
89.03859	1.6
89.82957	0.7
91.05426	0.8
97.02845	0.8
99.00768	8.3
101.02324	3.5
109.02843	1.1
113.02319	3.1
117.03310	4.6
119.04913	1.2
121.02840	1.2
125.02365	1.9
130.99799	1.6
131.03444	0.8
132.02107	3.0
134.03636	100.0
135.03960	4.1
137.02328	3.0
139.03923	1.5
143.03403	0.9
147.04428	3.6
148.05222	1.9
149.05989	12.8
155.03423	0.9
160.01584	11.5
161.02182	1.0
163.03836	0.9
175.03915	17.1
176.04379	1.0
178.02629	2.7
191.07097	1.7
192.04202	1.5
193.04997	93.8
194.05348	6.0
200.04601	1.1
203.05562	4.5
206.05640	1.0
221.08101	4.3
235.06117	12.5
244.44861	1.0
255.02972	1.0
256.03458	1.0
265.07172	23.4
266.07526	1.9
283.02487	1.6
284.03256	20.7
285.03619	2.2
296.11136	1.0
299.02179	1.8
299.05597	35.5
300.02844	0.9
300.06024	2.5
307.08194	8.6
325.09357	11.0
358.06943	3.2
367.10349	21.9
368.10693	2.2
409.11261	1.4
429.15244	1.2
463.89618	0.8
763.32880	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	759.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03316	5.8
59.01253	100.0
63.55968	0.7
67.07894	0.9
69.03313	1.5
71.01257	17.3
71.04897	5.5
73.02801	6.0
75.00726	1.4
78.30250	1.0
83.01252	1.0
83.04892	2.3
85.02828	8.2
87.00752	7.1
89.02308	3.5
95.01271	1.1
97.02838	1.3
97.06463	1.5
99.00777	6.2
101.02331	9.3
107.04917	5.8
113.02340	9.7
120.05668	2.1
123.00793	1.1
125.02360	2.3
128.11415	0.9
129.05492	1.4
134.03584	1.4
135.04398	2.5
137.02301	2.0
147.04498	1.8
147.06544	3.4
149.05968	1.1
150.03159	0.8
150.06731	1.9
159.02895	2.3
161.04468	13.6
161.09663	12.2
161.13252	6.8
162.06595	0.9
163.11179	5.6
171.08107	0.8
175.03958	1.2
179.10750	1.6
187.11212	14.8
189.09064	6.2
193.04971	1.5
205.12302	9.2
207.10251	8.8
223.13347	35.8
224.13667	1.7
225.07544	0.9
249.11299	15.9
250.11632	1.3
267.12350	16.6
268.12616	1.0
291.10815	1.3
313.03513	2.1
325.65015	0.9
328.05963	1.1
333.11981	2.7
343.08224	2.1
405.14020	4.2
423.15100	17.5
424.15527	1.3
465.16107	52.5
466.16544	4.5
511.36530	2.0
610.72583	1.0
673.26599	2.0
689.13049	1.0
698.73608	1.0
715.28241	85.8
716.28528	13.2
759.22797	1.4
759.34381	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	759.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
61.98706	2.9
68.52622	0.4
69.36905	1.0
69.37330	2.6
71.01237	2.3
72.99192	0.4
73.02822	0.6
75.00765	0.5
81.03355	0.3
85.02825	1.4
87.00733	1.6
89.02328	0.6
93.03334	3.3
95.01217	0.7
95.04894	0.6
101.02304	1.2
102.87035	0.4
105.03299	0.7
108.02038	0.8
109.02824	0.8
111.00838	0.5
113.02346	1.2
114.42053	0.5
117.03360	1.0
119.04924	1.0
121.02841	11.8
122.03620	9.1
123.04404	0.7
123.08040	0.8
124.01586	0.6
132.02071	10.1
133.02861	3.4
134.03630	17.8
134.04660	0.9
135.04434	2.5
136.01526	1.2
137.02332	1.8
145.02815	0.5
146.03619	0.4
147.04408	1.7
148.01575	0.5
148.05200	0.7
149.02344	17.0
149.06001	4.1
150.03128	61.8
151.03516	1.7
153.01854	0.4
159.04355	0.6
159.55818	0.5
160.01569	50.7
161.01961	2.0
162.06648	0.6
163.03928	1.0
163.11205	1.1
164.04721	3.0
165.05478	53.9
166.05827	3.5
173.04594	0.4
175.03923	62.6
176.04222	3.0
177.01881	0.6
177.05438	0.9
178.02548	1.1
179.03436	1.0
179.10663	0.5
180.04182	3.8
189.12737	1.2
192.04234	0.4
193.03342	0.6
193.04994	9.9
194.05383	0.5
195.06563	25.8
196.06917	1.2
205.06473	0.7
207.13828	0.8
221.06027	1.3
233.05923	1.2
234.06625	0.9
235.07668	0.8
235.66292	0.4
238.06262	0.6
239.07005	2.4
249.05482	0.6
250.06281	3.2
251.06950	0.8
253.08603	1.2
254.09392	0.8
265.08643	0.8
267.06610	2.0
282.08945	7.1
297.11319	0.8
326.07779	0.5
341.10272	24.2
342.10568	2.4
343.08041	0.5
371.11185	1.4
383.11493	0.6
511.36499	2.4
519.87378	0.5
548.22821	0.7
563.24945	100.0
564.25262	14.8
711.30267	10.9
712.30450	1.7
759.32727	5.3
760.31793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.5
61.98695	16.5
71.01256	74.1
73.02816	5.9
78.95744	4.1
87.09544	3.9
89.02303	5.4
101.02364	5.0
109.06492	6.2
120.25389	4.1
137.84523	4.0
139.74884	3.5
147.04501	4.2
154.07935	4.1
171.10190	100.0
173.57983	3.9
181.10799	3.8
199.09717	20.0
201.11287	21.0
207.10194	24.8
225.11230	12.2
253.09241	9.3
277.21722	72.3
278.22061	6.6
435.18738	5.2
721.42004	5.7
730.68713	4.1
739.42889	4.6
757.44098	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	33.1
61.98705	25.0
71.01252	6.2
71.93881	1.4
77.19833	1.3
78.95763	3.1
85.02822	1.8
87.00758	2.4
89.02324	4.2
97.02837	1.7
98.19803	4.1
99.00749	6.4
101.02312	4.5
113.02311	2.5
125.09615	4.5
127.11172	5.6
133.68503	1.5
152.11502	1.5
152.99518	2.6
155.10698	3.3
163.11211	3.9
165.09096	2.1
167.28767	1.4
171.10207	3.9
181.12271	7.1
199.09706	2.6
199.13318	13.0
201.11273	82.3
202.11632	2.2
207.10252	10.5
209.11798	1.7
217.14330	2.8
225.11301	26.2
229.42949	1.4
243.12491	8.6
253.09317	7.4
277.21741	42.4
278.22055	3.2
461.20166	5.5
469.08600	1.9
479.21301	2.6
526.81036	1.7
608.16193	1.8
721.41638	3.1
739.42865	11.7
740.43658	1.9
757.43762	100.0
758.44202	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.5
61.98700	10.0
71.01254	100.0
71.53654	3.7
72.01651	3.2
73.02827	3.3
85.02837	3.6
89.02319	6.2
94.16692	2.4
96.99297	3.0
97.02833	3.0
99.00825	2.7
101.02303	7.2
109.06467	4.9
127.11156	5.7
155.10779	3.1
171.10182	98.2
171.11659	5.4
172.10515	4.1
181.12349	4.1
199.09695	20.9
199.12978	2.5
201.11258	25.7
207.10220	25.2
225.11269	13.2
253.09305	12.1
277.21741	72.3
278.22018	6.3
407.19000	3.1
435.19006	3.8
461.20081	3.0
592.38684	3.0
739.42474	3.8
752.13757	3.0
757.43933	16.3
758.43933	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.1
61.98696	4.0
68.99748	0.7
69.50739	2.7
69.51159	2.4
71.01254	100.0
72.01572	1.3
73.02821	1.8
78.95761	1.2
83.01245	0.8
85.02824	1.3
87.00748	3.0
88.01104	0.7
89.02324	1.8
97.02882	1.2
99.00749	1.6
101.02314	3.1
109.06486	3.9
113.02353	1.4
119.03441	0.8
125.09624	2.3
127.11199	2.1
135.08031	1.1
147.04428	0.8
155.10739	1.4
161.04503	1.1
161.58582	0.7
163.11234	2.6
171.10191	70.5
172.10519	2.9
181.08704	0.9
181.12263	1.5
192.68420	0.8
199.09698	7.8
199.13387	0.9
201.11269	12.4
207.10219	10.5
208.10559	1.5
215.12868	1.2
225.11292	9.2
226.11607	0.9
235.08170	4.9
243.12376	1.2
253.09251	8.7
277.21722	82.3
278.22064	7.7
326.11789	0.7
428.57364	0.8
435.18512	1.2
461.20526	2.7
650.23627	0.8
721.41888	3.4
739.83539	0.8
757.43573	8.6
758.44769	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	759.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	1.8
59.59850	1.2
65.44790	1.1
70.91857	2.3
70.92223	2.1
71.01239	2.0
78.98588	1.2
83.01229	1.3
84.46687	1.2
87.00726	1.7
88.00668	1.1
89.02341	1.7
91.55983	1.3
93.03321	3.7
99.21789	1.3
107.01267	3.3
108.02069	1.7
109.02820	3.1
109.99940	1.4
119.04910	11.8
120.72420	1.2
121.02800	1.2
133.02730	1.2
134.03606	5.4
137.02339	2.8
139.26154	1.1
149.05952	1.8
150.03099	1.3
151.00246	6.3
153.26355	1.1
165.05482	2.1
173.02280	1.4
173.04408	4.2
177.01860	2.5
178.02530	1.8
178.99725	3.9
190.56906	1.2
191.05539	2.0
193.04996	8.4
201.05453	1.2
205.01289	2.1
211.03961	1.5
215.03438	1.4
216.47057	1.2
227.03416	2.9
229.04889	2.3
239.03285	1.5
241.05093	1.5
243.02991	7.6
254.02184	2.4
255.02942	15.2
269.04480	3.5
271.02484	45.8
272.02917	7.1
273.03696	1.5
281.04495	3.2
283.02448	6.3
297.03983	3.6
298.98715	2.2
299.01956	33.0
300.02725	91.6
301.03394	21.2
316.02155	5.5
317.02594	3.9
318.02777	3.5
326.04297	18.8
327.04987	7.3
420.08258	2.4
446.06174	1.6
595.13019	100.0
596.13477	16.6
621.14587	16.5
622.14948	2.7
741.18103	1.9
759.17871	44.4
759.37964	2.0
760.18036	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	759.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42122	0.4
59.01252	1.7
65.00191	1.0
66.68174	0.5
70.75603	0.5
71.01251	0.8
71.02968	0.7
74.85600	0.5
83.01257	1.1
85.02798	0.8
87.00769	1.1
93.03338	1.9
99.00788	0.6
107.01269	3.2
108.02060	1.6
109.02851	0.6
118.39996	0.4
120.31848	0.5
121.02823	4.7
122.03638	1.7
123.00768	0.6
125.02327	0.6
133.02887	0.7
134.03630	1.1
135.04437	0.5
136.01590	0.6
137.02341	0.6
143.97185	0.5
145.02850	1.2
147.04402	2.0
148.01588	1.2
149.02361	4.1
149.05989	0.9
150.03128	11.4
151.00284	9.8
151.01324	0.3
152.00974	0.9
158.03629	0.7
159.04416	1.4
160.05240	2.3
161.02303	0.5
161.05989	1.3
163.00258	1.2
163.03935	1.3
164.00969	0.6
164.04723	0.6
165.05486	11.0
169.01353	0.9
171.04398	0.7
173.04501	1.1
173.05994	0.9
175.03943	0.7
175.07574	2.1
175.73206	0.5
177.05504	1.5
178.06248	0.9
178.99791	4.5
180.04182	0.6
187.03911	0.6
189.01698	0.5
191.05533	0.7
191.24968	0.4
193.01329	0.6
195.06572	7.9
199.03992	1.5
200.04585	0.6
215.03459	1.0
216.04297	1.0
217.46577	0.6
226.02661	1.3
227.03433	2.8
229.04953	0.7
238.72923	0.5
241.04953	0.6
243.02945	10.9
244.03531	1.3
254.02203	2.0
255.02959	25.4
256.03308	2.5
257.04419	0.5
271.02469	60.7
272.02927	7.1
273.03366	0.6
283.02441	0.6
284.03271	0.6
285.03986	0.8
293.05051	0.6
299.01859	3.6
300.02734	100.0
301.03345	16.4
302.03760	1.1
313.03430	1.6
314.04199	1.6
315.12592	0.7
327.95810	0.5
329.14011	4.5
343.04163	0.6
343.99603	0.5
346.03268	2.2
368.33597	0.6
420.08597	0.7
447.07053	1.9
447.17792	0.9
465.08185	0.8
472.46786	0.5
477.19104	8.5
478.19656	0.5
507.19962	1.6
525.21326	5.4
555.21863	1.9
576.50116	0.6
577.12036	1.1
591.15948	0.5
595.13013	19.2
596.13879	2.8
597.13623	0.9
610.87244	0.5
637.14026	10.8
638.14258	2.0
715.18512	0.9
741.16803	16.1
741.30219	0.8
742.16742	2.3
759.17676	29.7
760.17999	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	757.1835
Annotation	Quercetin 3-sambubioside-3'-glucoside
Peak:m/z	Relative Intensity
57.87788	1.5
65.00179	1.6
66.83957	1.6
71.39769	2.7
92.86692	1.4
97.04124	1.5
107.01265	4.7
109.02843	2.4
112.90900	1.5
125.02254	2.0
135.00754	1.7
137.99080	1.4
151.00276	11.8
169.01337	2.3
170.62541	1.5
178.99768	4.5
199.03926	3.0
211.45821	1.6
226.02681	3.2
227.03458	3.2
243.03006	9.3
254.02159	2.5
255.03008	4.4
271.02499	71.4
272.02859	6.6
298.87317	1.6
299.01978	84.1
300.02728	78.0
301.03519	98.2
302.03952	8.3
313.03619	3.5
328.83920	1.8
343.04706	1.8
368.10440	1.5
463.08847	42.4
464.09152	4.0
525.10870	1.6
591.86993	1.4
594.12140	6.0
595.12982	19.2
596.13416	2.9
757.18359	100.0
758.18353	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	757.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26785	1.1
59.01252	2.1
63.02253	2.0
65.00198	5.9
71.01244	2.2
83.01253	4.0
86.29626	1.0
95.01263	4.3
98.20611	1.8
99.00733	2.5
107.01281	8.3
108.02035	4.4
108.49639	1.0
109.02856	6.8
109.99978	18.6
111.00769	8.3
113.02400	1.1
121.02851	2.8
123.00755	9.7
124.01572	5.4
125.02326	3.4
130.54359	1.1
133.02870	1.5
135.00737	1.4
136.01614	1.5
136.98686	3.1
137.02299	2.6
137.99471	7.0
139.00276	23.1
140.00691	1.3
141.98976	1.6
143.04884	1.7
145.02826	1.1
146.03679	1.6
147.04387	1.4
148.01579	1.8
149.02338	3.2
150.99127	2.2
151.00267	26.6
152.01071	12.2
153.01799	4.5
159.04395	4.0
161.02370	4.2
161.04375	1.1
161.05870	1.4
163.00281	3.0
164.01031	4.9
165.98996	23.6
166.99767	7.4
169.01375	1.4
171.04378	2.8
173.02339	2.1
174.03137	2.4
175.03906	4.0
176.01057	2.2
177.98940	1.0
178.99783	22.9
180.00403	1.2
182.03563	1.1
183.04434	2.8
186.03210	1.7
187.03918	6.2
188.04663	2.2
189.01823	3.9
190.02568	1.9
191.03392	1.9
193.98550	1.9
194.99222	1.5
198.03159	4.1
199.03931	11.8
201.01846	7.0
202.02560	2.7
203.03403	7.8
206.99242	1.2
209.11740	1.8
211.03885	2.4
213.01859	2.7
214.02702	7.4
215.03447	8.9
216.04037	3.0
217.01314	1.5
217.04944	1.3
218.02101	1.4
219.02917	1.8
226.02704	3.5
227.03406	13.7
228.03883	1.7
229.01457	2.9
229.05023	1.6
230.02122	1.4
231.02931	8.0
232.03624	2.0
241.01334	1.9
242.02156	10.9
243.02965	21.8
244.03496	3.7
255.02966	12.8
256.03464	2.0
259.02441	7.0
260.03180	3.3
270.01746	12.7
271.02469	98.4
272.02963	14.6
273.03946	4.2
287.01959	33.9
288.02676	16.4
289.03098	2.0
298.01224	3.0
299.01956	65.7
300.02679	24.7
301.03421	6.0
313.98141	1.2
315.01431	8.1
316.02219	100.0
317.02820	23.3
323.05795	1.3
713.19165	4.1
739.16211	4.3
752.01324	1.4
757.18207	86.9
758.18604	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	757.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28096	1.0
57.24898	1.1
59.01257	5.8
60.99181	1.3
67.01759	1.5
71.01234	2.4
71.53294	1.3
71.53687	1.2
73.65040	0.9
77.54945	1.0
83.01243	1.4
85.02811	3.0
87.00732	3.3
93.03335	14.7
107.01269	1.8
108.02052	2.6
108.87871	1.1
109.02819	1.5
111.04388	2.1
121.02857	2.9
125.02282	1.3
134.03632	6.2
148.01566	1.7
149.02341	1.4
149.58847	1.1
151.00221	7.8
153.01836	1.8
159.04471	1.2
163.00290	1.3
164.01056	1.2
169.01143	1.2
173.04468	12.0
178.99734	4.3
191.03801	2.2
191.05542	45.1
192.05853	1.9
193.04993	4.6
209.11804	1.1
227.03355	2.2
243.02934	13.0
244.03568	1.4
254.02086	1.5
255.02972	28.9
256.03427	3.2
261.41046	1.1
271.02481	58.5
272.02936	7.2
282.23395	1.2
299.01920	5.0
300.02740	100.0
301.03320	20.5
315.07504	1.3
367.10333	16.6
389.18216	12.1
463.08853	2.3
543.59814	1.4
595.13336	2.7
658.86987	1.3
738.63397	1.5
757.18231	52.7
758.18567	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	757.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
59.01255	9.7
60.01585	0.7
61.98702	3.7
65.03852	0.8
71.01254	3.4
71.58496	0.8
73.02812	1.1
80.02568	1.5
80.67696	0.8
83.04898	1.9
83.46098	0.6
83.79583	0.7
85.02833	2.0
87.00733	1.9
88.98682	1.6
89.02322	1.8
91.05410	1.2
93.03316	0.6
96.95892	0.9
97.02837	1.0
98.19753	1.6
101.02318	1.9
108.02053	12.6
109.02847	9.1
111.08066	1.0
119.04898	0.8
121.02837	5.2
123.04414	18.3
124.04678	1.0
125.02330	0.8
125.09627	0.9
127.35835	0.6
128.66061	0.9
133.02875	3.0
134.03642	7.5
135.04402	9.0
136.75078	0.7
141.40842	0.7
142.06163	0.6
147.04427	2.4
149.05992	11.7
163.11121	1.0
171.10204	11.5
172.10522	1.5
174.06619	0.9
183.13870	0.9
185.11766	1.9
186.06853	0.9
193.04929	0.9
197.06009	0.9
197.11726	5.4
198.12105	1.4
201.11192	1.2
209.11781	24.9
210.12131	10.7
211.13426	13.8
212.13879	0.7
218.02187	1.2
221.09613	0.8
223.07681	2.5
225.05556	1.0
225.11247	1.2
227.12910	4.3
228.13100	1.9
230.06017	0.9
234.37106	0.8
235.07910	3.2
237.05525	2.5
237.09157	1.0
238.06258	0.9
241.04948	1.1
248.08282	1.3
249.05467	1.6
249.09193	23.8
250.06253	1.2
250.09570	1.9
251.06963	0.9
253.05009	1.4
253.09198	6.0
254.09618	1.1
267.06625	2.7
271.09775	18.1
272.10159	1.5
275.20273	1.0
279.06583	4.3
289.18076	2.0
291.19662	2.3
292.19913	1.7
293.21167	3.7
294.21713	1.8
309.20679	5.1
310.21060	4.8
311.21997	2.1
312.08060	1.0
315.10287	2.4
316.10687	0.9
326.09253	1.1
327.10275	2.3
327.21805	6.8
339.10471	1.3
341.11865	14.0
342.12097	1.3
347.12671	1.2
353.11795	1.8
370.12161	1.3
371.09225	2.1
373.14487	8.0
374.14551	1.3
385.14526	20.5
386.14896	2.8
477.17041	15.6
478.17377	2.8
509.19705	100.0
510.20078	18.6
713.26941	0.8
757.40137	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	757.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.9
61.98686	2.0
65.00198	0.9
71.01254	2.8
71.52586	0.9
71.53001	1.2
73.02798	1.0
78.49221	0.9
78.70950	0.7
83.01264	1.2
85.02835	1.2
87.00742	1.5
93.03337	2.6
101.02295	1.4
107.01262	2.5
108.02007	2.2
109.99958	0.8
119.04885	2.3
121.02830	3.3
122.03603	2.8
123.04480	1.3
124.41740	0.8
133.02867	8.5
134.03604	2.2
135.00781	1.4
135.04398	2.9
136.01559	3.5
137.02335	1.2
139.00188	1.0
145.02823	1.8
147.04346	1.0
148.01526	1.1
149.02306	4.4
149.05983	1.5
150.03137	15.7
151.00279	7.0
151.03885	4.4
153.01819	1.3
159.04355	1.3
161.02359	8.9
163.00250	2.6
163.03923	3.0
164.04710	1.2
165.05466	16.7
165.98961	1.1
169.01500	1.2
174.03102	2.7
175.03935	5.9
178.99782	4.3
179.03357	1.3
180.04237	1.5
193.04999	3.1
195.06573	12.8
203.03310	1.4
211.03897	0.9
217.05128	0.8
226.02568	1.8
226.87692	1.0
227.03365	1.9
228.03720	1.1
234.01712	1.7
235.05988	1.0
237.05460	2.0
243.02951	8.8
244.03581	1.0
254.02115	1.5
255.02972	24.2
256.03284	3.2
271.02475	49.2
272.02966	5.2
284.03278	2.8
285.03699	2.8
287.01874	1.6
299.01917	5.8
300.02737	100.0
301.03378	16.8
313.03506	1.5
316.02194	4.9
317.02716	1.4
329.07074	0.9
339.08762	13.3
340.09082	1.4
343.08011	4.1
344.08768	1.4
357.13522	4.0
505.18738	3.7
553.20764	2.0
595.13025	29.6
596.13129	3.7
611.12579	2.9
621.10681	1.2
625.90533	0.8
635.44525	0.9
757.16278	43.0
758.16772	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	757.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59746	1.3
59.01236	4.1
63.02272	2.7
65.00193	7.5
68.99651	1.4
69.34766	9.5
71.01246	4.7
72.99176	1.6
73.02815	1.9
76.74703	1.3
83.01235	3.9
87.00741	3.0
89.00231	1.3
89.02345	1.7
92.99668	1.5
93.03334	4.8
95.01244	5.6
99.00731	6.1
107.01274	9.4
108.02036	3.8
109.02818	3.7
109.99926	1.9
111.00774	12.9
117.03358	7.9
119.04892	1.4
121.02808	2.9
123.00753	5.2
123.04417	2.0
124.01570	2.0
125.02360	6.8
133.02840	3.8
135.00758	1.7
136.98708	3.4
137.02312	4.5
137.99521	2.5
139.00261	17.7
141.01894	1.6
143.04897	4.9
145.02867	8.0
147.04376	2.2
149.99533	2.5
151.00273	33.9
152.00964	4.1
153.01869	2.1
154.99748	2.1
155.04875	2.4
157.02855	1.5
159.04401	7.5
161.02324	3.3
163.00288	4.1
163.06021	2.0
164.01077	3.9
164.98207	2.8
165.01828	2.8
165.99019	3.6
166.99686	4.3
168.00508	1.8
169.01306	3.3
171.04350	6.5
173.02368	2.3
174.03029	2.0
175.03865	3.9
177.98996	7.3
178.99782	26.0
180.00133	2.1
181.56653	1.4
181.98479	2.1
183.04353	5.7
185.02310	2.8
187.03958	9.5
188.04466	2.0
189.01799	1.8
189.05429	2.9
190.99965	1.7
191.05531	2.7
192.00565	2.3
193.01324	3.6
194.99277	2.1
199.03912	8.6
200.04395	2.0
201.01849	3.3
201.05473	2.3
203.03389	4.0
206.99231	1.7
209.00856	3.1
209.11613	1.4
211.03957	3.4
213.01822	3.1
214.02637	2.8
215.03400	6.9
216.04190	5.7
217.04918	3.8
226.02492	2.1
227.03415	15.8
229.01347	1.7
229.05026	1.8
231.02951	5.0
241.01472	2.5
242.02065	5.9
243.02881	11.7
244.03499	3.2
245.04417	2.8
254.02104	2.0
255.02946	32.9
256.03397	6.9
259.02570	7.3
260.02884	2.4
269.04443	1.8
270.01761	6.8
271.02454	68.5
272.03116	14.8
273.03900	6.7
282.99545	1.7
283.02493	22.6
284.03183	10.6
285.03967	12.8
287.01987	19.4
288.02469	4.2
298.01138	4.7
299.01962	100.0
300.02496	17.4
301.03552	7.9
315.01468	3.7
316.02222	51.2
317.02921	30.2
318.03210	2.1
360.90021	1.5
550.41968	1.5
593.15070	1.7
637.15497	1.9
645.16559	6.7
646.16858	3.1
649.16101	1.7
657.20160	3.9
713.18457	3.0
729.19043	2.5
739.17383	6.2
740.17303	2.0
757.18243	55.5
758.18628	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.2
61.98701	6.5
71.01251	5.2
85.39551	1.7
90.99968	1.7
101.02308	2.6
113.02327	2.1
116.97138	1.8
156.94612	2.1
161.04395	2.1
167.82611	1.6
169.12253	100.0
170.12654	5.1
171.10194	24.7
229.34958	2.2
235.08191	9.0
235.10185	1.8
253.09251	6.9
277.21741	70.2
278.22009	7.6
309.20566	2.7
337.98117	1.8
405.21320	7.0
431.19318	2.5
449.20203	2.6
709.41595	12.0
710.42877	2.4
727.31213	1.9
727.42419	10.6
737.39355	2.3
755.42499	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	755.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.1
61.98701	6.1
70.12296	1.1
71.01264	5.4
71.01626	1.1
71.52989	1.7
71.53385	1.1
78.95781	2.0
83.04901	3.4
89.02328	2.2
100.35114	1.0
101.02322	2.4
111.16524	1.3
113.02339	2.7
123.95736	1.1
161.04437	1.3
163.11143	3.8
165.12784	2.6
177.99364	1.3
207.10112	1.6
209.11772	100.0
210.12129	6.5
225.11328	1.4
227.12813	10.7
235.08177	3.1
253.09232	9.0
259.15491	1.4
277.21722	59.9
278.22104	7.2
293.21252	3.3
370.23593	1.1
445.20621	1.6
471.70236	1.3
755.43561	2.6
771.92889	1.1
786.04871	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	757.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	7.8
69.03346	4.2
69.61124	14.4
69.61527	6.6
71.01248	11.2
73.02840	3.5
76.46841	3.0
78.30629	3.1
85.02808	10.4
86.07034	3.3
87.00764	5.2
89.02290	3.8
93.03334	6.2
95.01254	5.9
96.78544	3.7
98.20535	5.3
99.23635	3.3
101.02349	4.9
108.02052	95.9
109.02870	32.1
111.00791	5.1
113.02313	3.9
121.02838	11.2
123.00759	7.9
125.02295	3.9
128.07637	4.1
134.03650	17.5
137.02336	9.4
138.03127	6.6
147.04396	5.5
149.05980	9.1
150.03110	4.8
151.00233	5.4
152.01062	83.2
153.01881	35.4
159.04445	23.1
160.05164	6.0
161.02354	3.5
161.06058	4.4
163.00334	3.3
163.03944	4.1
165.01877	11.0
173.02469	3.6
173.06026	15.5
175.03874	6.9
177.01729	5.3
178.02591	5.9
187.03914	8.2
191.05540	9.7
193.05009	26.9
195.06476	5.3
199.03883	6.4
201.55209	3.6
209.11749	17.6
220.62170	3.5
227.12715	3.9
229.01364	6.6
230.02164	4.7
242.02141	6.3
243.02858	7.5
247.43903	3.2
249.05495	6.4
255.02977	9.9
265.05103	5.3
271.02368	19.3
272.03040	4.9
277.05017	23.5
278.05933	6.1
279.06534	8.9
287.01688	4.3
293.04468	11.9
294.05225	7.5
295.06024	11.2
296.06781	5.9
297.07602	9.4
299.02167	5.7
300.02710	27.0
301.03540	7.7
305.04526	11.5
307.06024	4.3
310.08435	4.9
312.09879	7.8
315.07199	24.9
316.02240	12.2
321.04056	14.2
322.04721	14.9
322.08203	5.1
323.05627	23.8
325.10693	4.4
327.12408	7.3
336.06332	8.1
337.07162	13.7
338.07925	24.3
339.08447	5.5
351.08670	31.8
352.09271	6.5
353.10294	29.3
354.10577	4.1
371.11313	9.7
379.08292	12.3
395.07684	4.5
396.08450	11.5
397.09161	9.4
419.13574	5.6
423.07166	34.3
424.07681	6.0
531.17566	4.3
641.14520	5.6
669.18146	14.4
695.16254	31.1
696.16791	4.3
713.17065	20.8
714.17725	5.5
739.15039	100.0
740.15247	16.3
757.17200	46.6
758.17981	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	757.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.9
61.98686	2.0
65.00198	0.9
71.01254	2.8
71.52586	0.9
71.53001	1.2
73.02798	1.0
78.49221	0.9
78.70950	0.7
83.01264	1.2
85.02835	1.2
87.00742	1.5
93.03337	2.6
101.02295	1.4
107.01262	2.5
108.02007	2.2
109.99958	0.8
119.04885	2.3
121.02830	3.3
122.03603	2.8
123.04480	1.3
124.41740	0.8
133.02867	8.5
134.03604	2.2
135.00781	1.4
135.04398	2.9
136.01559	3.5
137.02335	1.2
139.00188	1.0
145.02823	1.8
147.04346	1.0
148.01526	1.1
149.02306	4.4
149.05983	1.5
150.03137	15.7
151.00279	7.0
151.03885	4.4
153.01819	1.3
159.04355	1.3
161.02359	8.9
163.00250	2.6
163.03923	3.0
164.04710	1.2
165.05466	16.7
165.98961	1.1
169.01500	1.2
174.03102	2.7
175.03935	5.9
178.99782	4.3
179.03357	1.3
180.04237	1.5
193.04999	3.1
195.06573	12.8
203.03310	1.4
211.03897	0.9
217.05128	0.8
226.02568	1.8
226.87692	1.0
227.03365	1.9
228.03720	1.1
234.01712	1.7
235.05988	1.0
237.05460	2.0
243.02951	8.8
244.03581	1.0
254.02115	1.5
255.02972	24.2
256.03284	3.2
271.02475	49.2
272.02966	5.2
284.03278	2.8
285.03699	2.8
287.01874	1.6
299.01917	5.8
300.02737	100.0
301.03378	16.8
313.03506	1.5
316.02194	4.9
317.02716	1.4
329.07074	0.9
339.08762	13.3
340.09082	1.4
343.08011	4.1
344.08768	1.4
357.13522	4.0
505.18738	3.7
553.20764	2.0
595.13025	29.6
596.13129	3.7
611.12579	2.9
621.10681	1.2
625.90533	0.8
635.44525	0.9
757.16278	43.0
758.16772	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03320	1.0
58.00465	0.4
59.01249	5.9
61.98702	1.7
69.03320	0.5
70.39238	0.6
70.39637	0.6
71.01253	4.8
73.02811	1.1
80.02544	1.3
81.03313	1.4
83.01247	0.6
83.04899	5.1
84.02028	0.5
85.02831	0.9
87.00748	1.1
89.02329	2.2
92.89973	0.3
95.04890	0.9
97.02834	2.2
97.06479	0.5
101.02319	3.4
102.27327	0.3
109.06480	1.0
111.04394	0.3
111.08038	4.3
113.02353	2.3
119.03367	0.8
119.14012	0.3
125.05999	0.5
125.09605	1.0
128.79729	0.3
132.75725	0.3
135.08057	0.7
137.09578	0.7
143.03458	0.5
147.04417	0.4
151.11179	0.4
153.12752	0.4
161.04456	2.0
163.11200	4.7
165.12758	3.2
169.12245	1.7
171.10197	4.8
172.10628	0.3
175.04028	0.3
179.05484	0.5
181.12245	1.2
183.13806	0.9
191.10690	0.8
191.14160	0.3
193.12201	0.6
193.15956	0.5
195.13780	0.5
197.11761	21.9
198.12077	1.2
199.13297	1.3
201.11304	1.0
207.10159	1.1
209.11771	100.0
210.12122	6.6
211.13332	6.4
223.13425	0.3
225.11278	2.8
227.12834	11.5
228.13171	0.8
235.08205	2.9
247.20619	0.6
253.09276	14.4
254.09572	0.9
263.20059	1.2
273.18457	0.6
291.19669	17.3
292.19916	1.8
293.21231	4.6
294.21799	0.4
302.62759	0.3
309.20715	40.2
310.21115	3.1
325.20035	0.9
373.01599	0.3
445.20914	0.9
481.36362	0.3
545.29468	0.7
755.41632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
58.00454	0.6
59.01252	10.3
59.79926	0.6
61.98702	2.5
69.03338	1.1
71.01256	7.6
73.02821	1.5
78.91754	3.0
78.95790	0.9
81.03322	0.7
83.01275	1.1
83.04892	1.6
85.02824	2.0
87.00764	2.6
89.02319	4.5
89.11466	0.6
95.01292	0.7
97.02847	1.9
97.06471	1.3
99.00756	1.5
101.02328	7.0
101.63580	0.5
105.57097	0.5
108.87135	0.5
109.06458	1.8
111.08038	6.4
113.02343	3.9
119.03425	1.0
125.09628	0.7
135.08084	0.8
137.09595	0.6
144.00137	0.6
153.12714	0.7
161.04504	1.8
163.11160	2.2
165.12766	11.3
166.13113	1.4
169.12245	2.3
171.10196	5.1
179.05504	0.8
181.12337	1.4
183.13834	100.0
184.14182	5.4
185.11810	0.7
195.13701	0.8
197.11763	25.7
198.12047	1.5
199.09808	0.6
199.13274	2.8
201.11249	1.3
207.10204	2.6
209.11751	8.3
210.12143	3.2
211.13483	3.7
225.11279	2.9
227.12849	8.3
228.13220	0.7
235.08131	4.1
247.20610	0.9
250.32076	0.6
253.09251	8.9
254.09613	1.0
263.20090	1.3
273.18579	1.0
289.18097	0.8
290.18524	1.2
291.19662	11.5
292.19971	1.0
293.21216	6.8
294.21631	1.0
309.20709	21.7
310.21188	1.6
325.20486	0.7
327.21658	1.3
445.20657	3.1
461.20135	0.8
461.67950	0.7
463.21780	4.5
545.30121	0.8
628.45343	0.7
679.10040	0.7
737.40363	1.3
755.42218	87.2
756.42578	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87870	2.0
59.01251	12.5
61.98700	9.8
62.55904	2.3
65.16834	2.1
71.01247	5.0
71.53379	3.9
73.08997	2.0
78.95774	2.1
101.02311	3.6
105.65265	2.0
127.09406	2.3
135.69975	2.2
138.00632	2.1
169.12260	59.9
170.12625	3.2
171.10175	15.9
201.17337	2.0
209.11790	4.1
253.09270	8.5
277.21738	100.0
278.22058	7.5
356.32635	2.1
513.30817	5.0
709.41272	7.1
727.42871	7.5
755.41779	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	755.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.3
61.98703	8.0
65.03844	2.7
67.01764	0.9
69.03341	1.4
71.01260	4.0
73.02812	1.8
79.95640	0.9
80.13074	0.8
80.96361	1.1
85.02818	0.9
87.00758	2.5
88.72179	0.8
91.01759	2.3
91.05415	9.5
93.03352	3.9
95.01292	0.9
96.95881	2.8
97.02823	1.0
98.20583	1.9
101.02332	1.6
108.02045	1.8
109.02842	14.7
111.08060	0.8
113.02329	1.0
119.01263	7.2
119.04922	2.0
121.02849	10.1
123.04437	1.2
124.01558	1.5
132.02054	4.1
133.02863	1.7
134.03653	8.9
135.04419	63.7
136.01469	1.1
136.04753	3.1
137.02341	4.9
138.03145	2.8
139.03903	1.2
147.00809	4.6
147.04433	9.2
148.01454	1.0
149.02356	31.2
149.05930	1.9
150.03136	9.0
151.03989	4.0
153.05479	8.2
160.01559	15.3
161.02304	1.5
163.03960	4.1
163.11206	1.7
164.04701	22.9
165.01802	2.9
165.05434	2.9
171.10126	1.1
174.03168	1.0
175.00294	44.3
175.03909	21.0
176.01025	7.9
176.04251	1.5
177.01749	0.8
179.07082	12.1
189.01851	1.5
190.02641	97.3
191.03371	15.5
193.01341	2.8
193.05006	8.1
197.11754	1.5
201.05519	1.0
201.09274	0.9
205.05003	100.0
206.05415	4.3
208.03729	6.6
209.04500	2.1
209.11763	17.9
211.13422	1.1
217.01366	1.5
223.06065	44.0
224.06352	2.0
227.07014	1.4
227.12761	2.2
232.03670	1.7
233.04327	1.3
247.06087	1.3
253.09244	1.9
254.05832	2.2
269.08203	4.0
271.06192	2.4
291.19656	2.4
301.10815	56.3
302.11176	5.2
309.20703	5.5
316.09454	4.6
320.67514	0.9
325.10892	1.0
325.47998	0.9
331.11792	7.7
355.11676	1.5
379.10364	10.3
395.09854	5.9
395.65182	1.0
409.11386	34.6
410.11557	3.9
487.16229	5.2
711.22913	47.2
712.23438	11.5
755.31140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06201	0.5
59.01245	6.2
61.98701	1.2
69.94731	2.5
71.01260	5.0
73.02811	1.9
75.00755	0.6
78.28486	0.5
83.01250	0.9
85.02835	2.9
87.00749	2.4
89.02320	1.3
93.03359	0.9
96.95870	1.8
98.20442	0.7
99.00767	2.3
101.02340	3.1
108.02049	2.5
109.02847	2.8
113.02309	2.8
117.03347	1.0
119.04926	1.8
121.02836	1.9
123.04389	1.2
132.02071	0.8
134.03618	2.6
137.02382	1.3
145.02866	3.1
146.03598	1.3
147.04407	4.5
148.05243	3.4
148.06207	0.7
149.05952	1.9
151.03918	1.0
152.00980	1.3
153.01828	1.1
159.04413	1.3
160.01598	1.7
161.02354	0.6
161.04442	1.1
161.05951	0.6
162.03160	0.8
163.03893	1.2
173.02368	1.6
173.04532	0.7
174.03165	4.5
175.03943	2.6
176.04630	1.1
186.03017	0.6
189.05495	0.6
191.03369	1.6
191.07141	3.1
192.04108	0.9
193.04976	3.8
201.01910	0.6
202.02565	1.1
207.08191	0.9
208.08862	1.0
209.06084	0.7
214.02756	0.7
215.03349	0.8
220.03696	0.7
223.07628	1.5
233.06175	0.7
234.06799	1.0
235.07800	1.6
237.05475	1.2
239.07135	1.9
248.04727	0.8
249.05583	2.1
250.06245	1.6
251.07098	7.4
252.07771	1.1
261.05478	1.3
262.06287	2.5
263.07129	5.5
264.07901	4.7
265.05060	0.9
265.08740	2.1
266.05896	0.8
267.06604	11.7
267.09503	0.6
268.07062	1.5
270.01797	0.6
277.05164	1.0
277.08588	0.7
278.06049	1.1
279.06616	13.7
279.10202	4.3
280.06973	1.7
280.20688	0.6
282.08987	8.5
283.09470	1.0
285.04254	1.0
285.07452	0.7
292.07513	0.6
293.04922	0.7
293.08075	2.6
294.05383	3.8
294.09033	6.5
295.06107	3.2
297.11261	3.2
300.02637	0.7
305.04520	1.0
306.04904	0.7
307.06146	2.2
308.06857	2.5
309.07745	3.9
309.11133	1.0
310.08456	2.0
313.03598	4.8
315.07254	1.4
320.06808	1.1
321.07660	1.5
322.08420	5.1
323.05591	12.4
323.09271	4.5
324.05997	1.0
324.09506	0.6
326.07938	2.6
328.05893	2.1
337.07220	1.0
338.07913	15.8
339.07715	1.5
341.06207	1.0
341.10297	19.1
342.10599	1.1
343.08240	10.3
344.08481	1.1
353.10300	100.0
354.10663	8.1
371.11304	4.7
383.06265	0.8
383.13492	1.0
725.24359	6.8
726.25110	1.2
737.24384	6.6
755.24585	3.1
755.37714	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	755.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.7
61.98713	1.1
63.02258	0.9
65.00214	1.4
73.02844	0.7
75.00758	1.9
80.96392	1.2
83.01266	1.3
85.02822	1.3
87.00725	2.6
89.02271	0.7
93.03362	2.6
96.95911	0.6
97.02854	0.6
98.82693	0.6
99.00748	0.7
100.85999	0.5
101.02338	1.1
107.01272	3.8
108.02048	1.1
109.02834	1.4
113.02293	0.6
114.35868	0.5
117.03373	1.8
119.04917	2.2
121.02849	1.1
128.03447	0.5
132.02080	7.3
133.02861	2.3
134.03627	7.2
135.00772	0.8
135.04413	1.8
137.02388	1.1
145.02817	1.6
147.04417	2.0
149.02321	1.0
149.06010	3.7
151.00266	4.1
151.03891	0.7
152.01117	1.3
153.01854	1.0
159.04356	1.0
160.01570	13.3
161.02359	6.8
163.00287	1.3
163.03952	3.0
164.01076	1.0
165.03990	1.3
165.05374	0.9
166.54790	0.7
169.01309	1.1
173.04521	1.1
175.03935	11.0
178.99760	1.7
179.03415	1.6
183.04456	2.7
185.05969	1.1
187.02435	0.7
187.03986	1.7
189.01888	0.8
189.05518	1.1
191.03391	0.9
191.05470	0.9
193.04997	8.8
199.03989	1.4
200.04720	1.3
210.03087	0.9
211.03966	3.8
212.04454	1.0
213.05501	0.8
227.03458	50.0
228.03848	4.2
229.05013	3.7
239.03537	1.3
240.04199	0.7
241.04958	1.0
255.02969	93.8
256.03522	11.7
257.04532	3.4
271.02490	1.5
283.02518	5.9
284.03265	100.0
285.03955	31.5
286.04419	2.3
297.11249	0.8
298.04779	4.1
299.05478	3.1
300.02844	1.8
327.04880	0.9
327.12347	1.6
343.08325	1.6
379.10287	0.9
412.61160	0.7
419.06021	0.6
455.11972	2.4
456.12137	0.6
561.12463	4.6
577.52234	0.6
579.13568	16.1
580.13708	1.8
593.14996	5.1
594.15936	0.8
610.36926	0.5
623.14484	1.2
737.25049	1.1
755.18250	61.2
755.30511	3.1
756.18463	10.2
756.30634	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	755.2049
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01235	3.5
71.01251	2.3
72.68592	1.1
82.72832	1.2
87.00761	1.2
98.19782	2.4
107.01247	3.3
147.04427	1.5
149.05891	1.2
151.00294	7.6
152.01074	2.7
167.03336	1.4
171.04474	1.4
175.03944	1.5
178.99753	2.0
191.05522	1.5
193.05042	3.0
196.21561	1.2
199.04007	6.2
199.05595	1.1
201.01775	1.7
201.91229	1.2
215.03374	3.8
227.03473	4.7
229.18649	1.5
242.02185	4.5
243.02946	36.7
244.03371	2.2
255.02928	16.3
257.04550	4.7
270.01660	4.4
271.02472	47.8
272.02841	6.7
285.03979	10.7
286.04700	5.2
287.05499	3.0
291.63309	1.5
297.30603	1.3
299.01984	100.0
300.02618	29.3
301.03110	1.5
313.03720	2.9
314.04324	88.2
315.05032	45.0
316.05496	3.0
354.62103	1.3
364.26788	1.5
459.03854	1.3
613.26257	1.5
755.20337	85.8
756.20795	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	755.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52050	1.4
57.03314	4.6
59.01254	43.5
61.98704	17.0
65.03826	1.6
65.63984	1.6
71.01257	12.8
72.99174	4.0
73.02811	3.9
75.00742	6.9
83.01279	4.3
85.02825	12.7
87.00764	11.2
87.04402	1.5
89.02335	2.8
91.01783	3.1
91.05414	8.1
93.03326	4.4
95.01257	2.9
96.95887	2.4
99.00758	4.9
101.02330	4.4
108.02053	3.7
109.02837	22.5
113.02332	9.0
117.03336	4.8
119.01317	8.1
119.04919	7.8
121.02850	17.2
123.04388	3.0
124.01529	3.5
125.02336	33.8
132.02058	3.4
133.02834	3.3
134.03635	9.6
135.04416	65.3
136.04707	1.6
137.02342	5.4
138.03133	3.2
145.02837	11.0
147.00795	5.0
147.04431	17.5
148.05081	2.4
149.02344	35.2
149.05960	2.8
150.02942	1.3
151.00362	1.5
151.03949	4.0
152.01076	3.0
153.05472	9.2
159.04372	2.2
160.01566	5.8
161.02428	2.1
162.03156	2.3
163.03926	8.6
163.07553	5.8
164.04697	27.8
165.01836	3.9
165.05255	2.0
175.00285	39.8
175.03934	7.0
176.00766	3.2
177.05394	1.8
179.07043	10.1
189.01828	2.4
190.02644	90.2
191.03090	6.5
193.01247	2.4
193.04996	11.1
201.05421	1.4
205.05005	100.0
206.05347	6.3
208.03696	4.7
209.11693	3.2
211.03984	1.7
223.06065	73.1
224.06413	5.0
227.07031	3.3
247.06203	2.1
249.06087	3.9
254.05823	3.9
255.02936	1.7
255.10948	1.4
269.08130	7.7
271.02554	2.2
271.06067	2.9
300.02774	3.2
301.07202	20.5
301.10812	81.1
302.07980	1.9
302.11209	8.5
313.03455	2.0
313.23895	3.4
331.08228	10.7
332.08456	1.6
343.08224	4.4
344.16425	1.3
350.37512	1.5
359.28076	28.6
360.28424	2.6
379.10068	1.9
395.09616	1.6
409.11426	50.9
409.16846	2.9
410.11856	6.5
489.31802	2.1
609.34851	23.3
610.35370	1.8
646.41309	1.3
651.38409	1.4
711.22876	25.4
711.39520	6.8
712.23364	8.9
755.38611	43.9
756.38916	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	754.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
61.98702	100.0
62.98406	0.2
63.99147	0.2
71.01260	0.7
71.24805	0.2
71.48113	0.1
73.02806	0.2
85.02847	0.2
87.00755	1.0
89.02301	0.3
96.95911	0.4
99.00794	0.2
101.02316	0.2
109.02859	0.4
113.02322	0.2
119.04970	0.1
121.02866	0.2
125.02361	0.3
131.03426	0.1
134.03662	0.4
135.04431	0.1
137.02327	0.3
143.03435	0.1
145.19028	0.1
147.04431	0.5
149.06004	0.2
153.01863	0.4
160.01642	0.1
163.03882	0.2
163.07564	0.4
163.11272	0.2
164.08009	0.1
171.10220	0.2
175.03986	0.2
191.03496	0.2
192.04189	0.1
193.05006	0.6
201.09154	0.1
209.11789	1.3
210.12175	0.2
211.13347	0.3
227.12909	0.1
229.08754	0.2
253.09427	0.2
255.03021	0.2
267.06720	0.1
283.02594	0.3
283.05624	0.2
289.18253	0.1
291.19748	0.3
293.21301	0.1
294.21729	0.2
309.20798	0.4
313.03610	0.2
327.83527	0.1
341.23483	0.1
343.08371	0.2
357.10596	0.1
642.09839	0.1
656.11633	0.2
657.11975	0.9
710.38385	0.7
711.23145	0.1
711.39471	0.1
754.36890	0.5
755.39435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
61.98703	100.0
62.98414	0.2
71.01251	1.0
71.54123	0.1
73.02818	0.4
73.49409	0.1
75.00761	0.2
80.96436	0.2
85.02356	0.2
85.02842	0.6
87.00759	2.8
89.02337	0.3
93.03336	0.2
94.38914	0.1
96.95905	0.3
97.02869	0.2
99.00750	0.5
101.02319	0.4
113.02361	0.4
121.02885	0.2
125.02319	0.3
127.63559	0.2
130.99747	0.3
134.03662	0.6
145.02895	0.2
147.04402	0.3
149.02412	0.2
149.06001	0.2
154.21764	0.2
160.01573	0.2
163.03969	0.3
163.07547	0.2
193.05031	0.5
209.11783	1.1
215.07375	0.2
216.94019	0.2
218.02299	0.2
223.13310	0.2
241.05136	0.2
243.03050	0.2
251.06985	0.2
253.05098	0.2
253.09203	0.2
255.02975	0.2
255.06584	0.3
257.04636	0.2
267.06467	0.8
268.07288	0.3
269.07947	0.3
309.20874	0.2
311.09448	0.3
312.06589	0.2
313.03177	0.2
343.08191	0.3
393.39688	0.2
488.05777	0.3
489.06921	0.2
532.26862	0.2
711.40063	0.4
755.38287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1826
Annotation	Quercetin 3-(2G-(E)-p-coumaroylrutinoside)
Peak:m/z	Relative Intensity
59.01245	3.7
71.54119	1.0
72.99171	1.1
75.00747	1.1
85.02813	2.0
87.00757	2.9
88.98664	1.2
89.02328	1.3
91.01777	3.4
93.03350	2.9
101.02296	1.1
108.02063	3.1
109.02829	1.9
113.02347	2.1
117.01831	1.0
117.03351	1.6
119.04902	3.1
120.50851	0.9
121.02871	6.3
122.03611	1.5
123.00819	0.9
123.04343	1.3
133.02882	1.8
133.06490	1.5
134.03638	24.0
135.00772	7.7
135.04352	1.3
137.02373	3.7
139.03911	1.1
145.02838	2.1
147.04434	1.9
148.01564	6.5
149.02342	6.8
149.05992	4.6
150.03152	9.4
151.03937	1.9
152.01024	2.1
153.01833	7.7
159.04410	1.8
160.01567	5.5
161.02324	4.6
163.00269	6.7
163.03883	2.4
164.04742	1.4
165.01875	1.4
165.04074	1.3
165.05495	11.1
167.03470	0.9
170.41452	0.8
173.04503	2.0
175.03882	6.8
177.01804	3.0
177.05507	1.0
178.02589	5.1
180.04216	1.8
189.01865	2.5
190.02522	1.2
191.05563	1.4
193.01421	1.6
193.04991	30.3
194.05351	1.6
195.06494	4.7
199.03923	0.9
200.04575	1.3
211.03905	2.6
211.05859	1.0
223.06059	1.7
225.05678	0.9
227.03470	27.0
228.03827	3.5
229.05125	1.7
239.03458	22.3
240.03986	1.9
255.02968	76.1
256.03476	9.4
257.04434	2.0
267.06723	1.5
271.02438	1.4
282.05072	1.1
282.08975	2.6
283.02530	5.2
284.03256	100.0
285.03925	22.5
286.04416	1.0
299.05621	1.0
300.02914	1.2
313.03528	2.5
328.05875	0.9
332.13547	0.9
341.10333	8.1
343.08102	4.3
344.08676	2.2
349.47507	0.9
371.11420	1.4
389.12451	8.2
429.08096	1.3
521.12872	1.0
559.20313	5.3
561.12543	13.7
562.12677	1.4
579.13525	60.6
580.13745	8.9
593.15143	1.8
626.57605	1.1
755.17932	24.8
756.17981	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	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76795	1.0
55.01758	2.8
57.03320	4.4
58.00461	2.9
59.01252	86.0
61.98704	8.0
67.01747	1.1
69.03348	1.4
69.17566	3.0
69.17987	7.1
71.01256	46.9
72.99192	3.7
73.02824	14.5
75.00757	1.2
81.03322	1.2
83.01253	8.7
85.02821	20.7
85.99954	1.4
87.00741	9.0
89.02322	22.0
89.02842	0.8
93.03300	1.6
93.06937	1.1
95.01266	6.7
97.02824	3.0
99.00752	7.2
101.02325	34.5
111.00767	4.4
111.34585	1.2
113.02338	24.9
115.14171	1.2
115.14995	1.1
119.03390	5.8
119.04928	3.8
121.02845	3.0
125.02344	4.4
129.01840	1.1
130.99788	1.1
134.03632	3.4
135.04381	1.2
137.02327	1.8
143.03421	3.4
145.02908	1.6
147.04436	2.8
149.02324	1.6
149.06061	1.0
159.02946	2.6
161.02344	1.3
161.04475	4.0
161.09738	1.2
163.03918	5.7
164.04553	1.4
173.04520	1.8
175.03894	3.0
179.05533	2.3
191.03284	1.3
193.05058	5.9
193.06631	1.1
213.18532	3.1
223.06064	2.3
223.13290	1.8
234.47476	1.1
237.42162	1.1
283.02832	1.3
283.06198	1.8
343.08224	2.2
357.22650	1.2
375.23938	2.1
450.78262	1.1
487.32816	7.9
505.33743	7.5
561.23639	1.2
561.32886	3.2
649.38025	100.0
650.38318	17.0
667.39105	74.0
668.39496	11.4
709.40259	29.4
710.40424	5.1
753.36719	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25991	1.1
57.03303	1.6
59.01254	12.8
61.98682	3.6
69.03313	2.1
70.51311	1.8
70.51685	2.5
71.01257	11.9
73.02811	3.1
81.03317	1.2
83.01292	2.6
83.04878	3.2
85.02832	3.0
87.00748	4.2
89.02308	3.9
93.03298	1.4
95.01245	1.1
95.04923	2.0
97.02827	4.3
97.06460	3.6
101.02322	7.0
109.06448	2.5
111.08064	1.8
113.02312	3.9
118.70708	1.1
123.04395	1.8
123.08022	2.6
125.09648	5.7
135.04404	1.2
137.09593	1.9
145.04932	1.3
161.04512	2.3
163.11183	4.5
165.12785	12.7
171.10167	3.1
181.12233	2.0
183.13838	100.0
184.14171	3.8
185.11816	7.3
191.14323	2.8
197.11739	3.3
198.12199	1.6
199.02782	1.3
207.10187	6.1
209.11789	30.8
210.12079	3.1
211.13284	3.6
221.11858	1.6
223.13464	5.5
224.13675	4.1
225.11256	4.1
225.13591	1.3
227.12799	12.0
235.08186	5.3
245.19025	7.9
251.12874	1.4
253.09254	9.3
263.19986	2.0
271.16965	1.2
289.18082	22.7
291.19705	2.4
293.21170	2.3
305.36414	1.4
307.19135	20.3
308.19312	2.0
309.20685	5.8
310.21027	2.0
311.21234	1.5
331.19052	1.3
445.20636	6.4
463.21957	3.9
517.35400	3.5
535.36536	1.5
637.32202	2.9
655.33270	5.5
674.17731	1.2
735.39539	2.1
753.40771	70.5
754.41028	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	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01245	6.9
61.98701	4.6
62.15441	0.7
63.65037	0.8
66.22245	0.8
69.03318	3.4
71.01247	8.4
71.04892	1.9
71.10576	1.5
73.02819	0.9
75.00740	1.6
80.02549	0.8
83.04900	1.6
85.02808	2.1
87.00742	1.7
89.02306	3.1
95.04912	1.0
96.95897	1.9
97.06461	1.8
99.00732	1.1
101.02312	3.4
109.06442	0.8
111.08045	0.7
113.02328	3.0
119.03352	1.1
123.08035	1.5
125.09592	3.2
151.11108	1.7
153.12741	2.0
161.04469	1.2
161.09619	2.9
163.11165	1.4
165.12801	1.1
171.10178	2.4
179.10678	6.0
181.12265	1.7
183.13757	0.9
191.10774	0.9
195.13847	3.9
197.11754	80.0
198.12108	4.3
207.10159	2.4
209.11778	27.8
210.11987	1.3
211.13301	2.6
223.09743	1.8
223.13271	2.3
225.11209	3.0
227.12851	5.0
235.08176	1.3
241.10849	3.5
245.19067	1.5
253.09225	4.9
263.20013	1.0
275.20087	3.1
289.18094	3.8
291.19638	1.8
293.21207	12.5
307.19159	7.6
309.20651	1.4
340.95193	0.8
445.20691	0.8
459.19186	0.9
477.19830	2.1
591.35254	0.9
753.40613	100.0
754.40967	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.1
61.98707	5.0
62.87769	0.9
71.01257	6.3
71.53458	1.4
73.02833	1.2
78.95750	4.4
79.95602	1.6
85.02823	2.3
87.00737	2.4
89.02306	3.4
93.03259	0.9
95.04906	1.3
96.95282	2.0
96.95895	39.5
96.96842	4.0
97.06448	2.1
101.02330	4.9
113.02293	1.8
147.04372	1.5
159.11659	1.7
173.82103	1.1
175.11200	1.1
177.12770	14.4
178.13104	1.2
194.16779	1.1
195.13849	75.4
196.14182	4.4
209.11803	1.7
215.62424	0.9
221.11827	1.9
223.13283	4.9
235.08226	1.3
239.12875	7.4
253.09277	7.1
275.20160	2.0
277.21890	1.2
289.17841	1.1
293.21231	32.0
294.21555	2.5
323.75125	1.0
362.24402	1.2
457.20966	1.4
475.21729	5.3
591.63574	1.1
676.25629	1.2
751.42688	100.0
752.30762	1.1
752.42975	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33360	0.5
57.03319	1.2
58.00463	0.9
59.01252	7.9
61.98690	1.7
66.26194	0.5
66.39291	0.4
67.01804	0.4
68.40231	0.4
69.03333	3.1
71.01249	6.0
71.04911	0.7
71.45596	0.7
72.99197	1.0
73.02811	1.4
74.62199	0.6
81.03305	0.5
83.01242	0.8
83.04901	2.8
85.02818	3.3
85.06448	0.6
86.85233	0.4
87.00745	1.8
89.02319	3.1
93.03337	0.8
93.25351	0.5
95.01257	0.7
95.04899	0.5
97.02841	1.2
97.06407	0.5
97.21122	0.5
99.00789	0.5
101.02306	4.3
101.02850	0.5
106.69181	0.5
108.02047	0.5
109.06453	2.2
110.03671	0.5
111.08051	6.1
113.02312	2.6
119.03400	1.3
120.96748	0.5
124.18320	0.5
133.46011	0.4
141.09055	0.5
142.02489	0.5
143.03323	0.5
149.09639	0.5
151.11162	0.7
153.12772	1.2
161.02335	0.9
161.04475	3.3
161.13223	0.6
163.11145	0.5
167.10686	3.7
169.12273	2.6
171.10219	1.1
175.11215	0.6
177.12743	2.6
179.05463	0.7
179.10706	1.6
179.14311	3.4
181.12236	0.7
183.13834	0.9
195.13852	13.6
196.14264	0.6
197.11768	32.2
198.12132	1.7
199.13313	1.8
200.13438	0.5
205.12302	10.6
206.12642	0.8
207.10188	0.7
209.11777	0.7
211.13361	4.3
221.11798	17.3
222.12048	0.9
223.13345	100.0
224.13676	7.1
225.11304	0.9
228.91617	0.5
235.08205	6.8
239.12868	9.7
253.09261	18.2
254.09512	0.9
263.20142	2.2
265.18161	0.7
273.18591	0.7
275.20139	1.2
279.16507	0.5
291.19650	12.2
292.19870	0.9
293.21225	17.3
294.21472	0.6
309.20703	44.1
310.21124	4.7
392.32330	0.6
433.20651	0.5
459.22382	9.5
460.22638	1.4
474.73303	0.5
475.21924	1.5
488.14505	0.5
515.33612	1.2
751.42798	3.4
752.43079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81907	3.0
71.01257	4.8
71.18934	6.4
71.19253	3.2
84.53790	3.4
99.00745	4.7
109.02783	4.8
121.02824	9.0
125.02331	5.5
137.02336	14.4
138.03125	9.3
147.04401	7.7
152.04767	3.6
153.05469	6.9
159.04417	80.7
160.05214	22.4
161.05975	29.2
163.03972	5.9
173.02336	4.0
173.04593	5.8
173.05992	38.8
175.03807	5.4
187.04019	7.6
191.05562	4.0
199.03978	6.1
203.03387	8.9
209.35939	3.4
219.02942	4.3
226.81624	3.7
229.01501	6.2
239.07193	3.8
249.05496	5.8
251.07080	24.6
252.07463	3.9
253.05017	3.4
256.03812	7.4
267.06665	5.6
269.07990	5.0
271.06049	8.0
277.04965	23.5
278.05481	5.2
279.06564	24.1
281.04453	5.1
282.05286	4.9
293.04428	5.4
294.05215	5.7
295.06006	18.6
296.06863	4.9
297.07581	41.7
298.08060	5.8
305.04581	12.8
311.09134	5.1
312.10049	36.9
313.10345	4.8
322.04749	11.7
322.08270	4.9
323.05609	27.0
325.10754	6.6
327.12354	59.6
328.12534	4.4
337.07104	20.9
338.07941	35.0
351.08694	12.7
353.10312	55.8
354.10657	5.8
371.11282	16.8
379.08472	4.5
397.09219	19.7
415.10425	9.4
415.33014	3.4
423.07144	12.4
443.13535	13.9
444.98654	3.3
487.12421	16.9
493.34363	4.0
513.10065	12.4
545.16895	4.0
547.14844	7.0
573.12067	6.2
589.15833	5.9
615.13715	7.6
645.14313	4.8
675.15527	5.0
693.16986	11.5
735.17938	7.6
753.18774	100.0
754.19031	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	753.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.0
64.49027	4.2
71.01250	7.8
71.62723	3.9
73.02793	3.9
89.02357	4.7
91.19991	3.4
97.39202	3.7
97.95094	4.1
107.55704	3.7
108.02063	4.5
109.02834	4.7
123.04423	7.0
125.02321	3.9
135.45099	4.0
137.02318	5.0
138.03038	6.5
144.42348	3.5
147.04420	10.8
151.01547	4.3
159.04427	60.3
160.05154	14.7
161.05977	12.9
163.09639	5.3
173.02335	5.7
173.05997	31.5
187.03949	8.4
191.03494	4.0
191.05466	5.9
191.77301	3.6
199.03941	8.1
203.03493	6.3
217.01414	4.5
251.07117	10.9
261.05533	6.4
262.06149	4.2
265.04895	6.9
266.05655	7.1
267.06580	11.0
277.04959	13.0
278.05753	8.1
279.06662	29.5
280.07361	15.5
281.08228	11.7
282.08936	17.0
292.07574	5.0
295.06006	4.7
295.09665	8.0
296.07120	4.0
297.07724	16.9
297.11310	28.1
305.04486	6.9
306.05338	8.9
307.06116	58.9
308.06839	40.7
309.07373	4.0
312.10016	8.6
321.07672	15.9
322.04520	4.1
323.05670	6.8
323.09180	72.8
324.09653	7.1
327.12265	17.2
337.07401	5.5
338.07843	11.8
341.10068	5.6
349.07098	6.7
351.08597	8.5
353.10233	21.8
367.08231	15.4
371.11514	4.9
383.11218	10.9
393.06232	18.8
397.09161	6.4
423.07172	7.9
427.10315	5.7
443.13922	9.0
487.12247	17.4
513.10126	8.2
547.14984	5.4
573.12598	10.4
591.13342	13.1
665.21191	5.9
709.19708	16.5
735.17700	27.7
753.18823	100.0
754.19092	23.3
777.35034	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40218	0.2
57.03333	0.3
59.01246	2.0
61.98692	0.7
64.09358	0.2
65.46358	0.2
71.01244	2.0
71.04882	0.2
71.53380	0.2
72.99178	3.0
73.02833	0.4
75.00747	100.0
76.01087	1.2
81.03358	0.2
83.04037	0.2
85.02830	0.5
87.00753	0.9
88.98685	0.2
89.02309	1.5
97.02889	0.3
97.06445	0.2
99.00739	0.3
101.02330	1.7
109.06478	0.6
111.04427	0.2
113.02322	0.8
119.03407	0.3
125.02339	0.4
143.03441	0.3
161.04478	0.5
171.10147	0.5
172.31822	0.2
179.05518	0.4
195.13875	0.6
197.11777	0.3
197.65688	0.2
205.12311	0.6
207.10266	0.8
209.11769	0.4
211.13359	0.7
221.11723	0.5
223.13350	4.3
224.13699	2.0
225.11346	0.9
225.13757	0.4
235.08199	1.0
239.12860	0.3
253.09341	0.9
254.90509	0.2
277.21738	3.6
278.22037	0.4
284.03360	0.3
289.18060	2.4
290.18445	1.6
291.19412	1.2
293.21259	0.6
307.19339	0.3
309.20908	0.6
313.00253	0.2
342.07330	1.9
352.88388	0.3
358.46725	0.2
397.13489	6.0
397.18579	0.4
398.14059	0.6
415.14551	2.2
497.31470	0.2
733.38574	0.3
751.39697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05556	0.2
59.01258	1.4
61.98695	0.5
69.61443	1.0
71.01254	1.1
72.99184	3.0
75.00749	100.0
76.01088	1.1
81.03336	0.2
83.01291	0.2
85.02818	0.3
87.00768	0.6
89.02336	1.1
97.02843	0.4
101.02322	1.2
113.02346	0.4
119.03378	0.4
125.02361	0.5
128.98361	0.2
129.90399	0.1
144.03061	0.2
161.04485	0.3
162.36111	0.2
166.63074	0.2
193.05064	0.2
196.88948	0.2
199.91243	0.2
207.10297	0.2
209.11821	0.4
221.11902	0.5
235.08221	0.5
239.12901	0.3
253.09253	0.3
277.21768	3.1
278.22089	0.2
287.07623	0.2
293.21390	0.4
305.08942	0.3
397.13495	5.4
398.13843	0.6
415.14560	2.4
675.36566	0.3
751.40894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27534	0.3
57.03324	1.2
57.19834	0.3
59.01250	6.9
60.01584	0.4
61.98703	1.1
63.13886	0.3
69.03336	2.4
70.45210	0.3
71.01257	5.9
71.04895	0.8
71.53629	0.4
72.99218	0.4
73.02830	1.4
75.00763	0.8
78.51256	0.3
83.01259	0.5
83.04913	0.7
85.02818	2.2
85.06452	0.5
87.00753	1.4
88.35690	0.2
89.02325	3.4
90.98140	0.3
93.03320	0.5
95.01283	0.5
95.04910	0.7
97.02847	1.2
97.06488	0.5
99.00773	0.9
99.41378	0.3
101.02328	4.5
109.06492	1.1
111.08044	6.0
113.02339	3.3
114.02667	0.3
119.03436	0.8
123.04452	0.4
123.08083	0.3
125.09620	1.0
145.04997	0.9
149.09631	0.7
153.09113	0.4
153.12772	0.6
161.02328	0.4
161.04471	1.8
161.09573	0.3
163.11221	0.4
165.12758	0.9
167.10699	3.2
167.14413	0.3
169.12263	2.4
171.10222	0.9
177.12782	1.0
179.05507	0.4
179.10735	1.6
179.14305	3.2
181.12262	0.4
183.13782	0.6
187.11252	0.3
189.01836	0.4
193.12347	0.4
195.13844	10.8
196.14183	0.7
197.11775	29.5
197.67781	0.3
198.12190	1.9
199.11615	0.3
199.13364	1.7
205.12302	9.1
206.12587	0.8
207.10185	0.5
209.11784	1.1
211.13339	4.4
212.13628	0.4
221.11758	2.1
223.13354	100.0
224.11569	0.6
224.13707	8.0
227.12865	1.2
235.08173	4.4
239.12866	1.3
247.20618	0.7
249.15036	0.6
253.09276	15.2
254.09525	0.8
263.20139	1.5
265.18011	0.6
273.18564	0.5
275.20175	0.4
291.19669	16.8
292.19995	1.7
293.21326	1.5
309.20715	48.6
310.21048	5.4
388.59964	0.3
433.20630	0.5
441.21326	0.4
459.22369	10.2
460.22775	1.4
467.82523	0.3
515.34015	1.1
527.28949	0.6
545.29492	1.3
710.75818	0.3
751.45355	8.9
752.45087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4482
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01737	1.8
55.93317	0.4
57.03318	3.0
58.00465	0.9
59.01249	13.0
61.98687	1.8
67.01744	0.5
67.66254	0.5
68.99677	1.8
69.31788	1.8
69.32210	2.0
71.01252	22.1
72.99178	1.6
73.02818	3.3
75.00743	14.8
82.91754	0.4
83.01256	3.6
85.02825	15.7
87.00729	1.2
89.02314	9.1
95.01264	3.3
99.00760	10.6
101.02315	1.9
112.01502	0.9
113.02336	6.5
115.00298	0.5
115.12820	0.6
129.01807	0.7
131.03294	0.8
147.04382	0.9
157.01314	1.3
162.47156	0.5
211.13280	0.6
424.54883	0.5
445.40201	0.6
503.17151	0.6
509.39880	1.2
670.36481	0.7
749.44757	100.0
750.45074	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.1
57.03340	0.1
58.15276	0.1
59.01245	1.1
61.98709	0.4
70.73106	0.3
71.01265	0.8
72.99170	0.5
73.02831	0.3
80.96400	0.1
83.01232	0.1
85.02836	0.4
87.00766	0.3
89.02334	0.2
89.03840	2.6
91.05396	0.1
93.03349	0.1
95.01235	0.1
95.04921	0.1
96.95897	0.1
97.02833	0.1
99.00762	0.4
101.02325	0.3
104.90886	0.1
106.04129	0.5
108.02041	0.1
111.00748	0.1
111.04438	0.1
113.02335	1.2
117.03349	6.8
118.03697	0.2
119.04916	0.2
121.02846	0.2
123.04393	0.2
125.02286	0.1
132.02071	2.5
133.02856	8.8
134.03630	91.6
135.03960	3.4
137.02348	1.0
139.03947	0.3
143.03404	0.2
147.04459	0.2
149.02393	0.2
149.05989	6.6
150.03188	0.2
150.06328	0.3
160.01567	8.1
161.01884	0.3
173.41911	0.1
175.03922	9.4
176.04219	0.7
178.02635	3.2
179.03006	0.1
193.04990	100.0
194.05327	4.9
209.06161	0.1
223.07610	0.3
224.08315	0.4
231.56534	0.1
239.10739	11.3
240.11093	1.0
275.07770	0.2
293.21182	0.1
297.92786	0.1
444.35446	0.1
515.19135	1.7
516.19226	0.2
533.20392	0.2
557.20117	0.2
575.21210	0.9
576.22369	0.1
751.26727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35430	0.4
55.01730	0.4
56.70588	0.3
57.03331	0.6
58.57124	0.3
59.01253	4.9
61.98711	1.0
63.04292	0.3
71.01247	2.8
71.54537	0.7
72.01582	0.3
72.99184	0.4
73.02817	1.2
75.00732	0.6
83.01288	0.4
85.02843	0.7
87.00762	2.3
89.02327	1.1
89.03797	0.3
90.34374	0.3
93.03337	1.1
95.01253	0.5
99.00765	2.3
101.02322	1.4
111.00751	0.4
113.02326	2.0
117.03358	5.1
119.04918	54.8
120.05229	2.1
121.02857	0.6
123.04405	0.5
124.01579	0.4
134.03651	3.3
135.04413	0.7
136.90268	0.3
137.02367	0.7
145.02867	14.8
146.03296	0.5
147.04427	1.0
149.02324	0.5
149.06052	0.7
152.01021	0.4
160.01601	0.9
161.02325	0.7
161.04515	0.7
163.03923	100.0
164.04253	4.5
165.03894	0.6
175.03934	1.4
178.02660	0.4
179.03506	0.5
180.02466	0.5
191.03389	0.4
193.04964	4.6
211.13255	0.4
313.03598	0.5
343.08286	0.5
501.23285	1.6
543.24731	0.7
561.25616	0.5
698.12262	0.4
707.29224	6.2
708.29303	1.2
756.52094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48571	0.3
59.01261	4.1
69.37003	2.8
71.01266	1.5
73.02826	1.0
75.00742	0.6
85.02825	0.8
87.00770	1.6
89.02341	0.7
93.03334	1.1
99.00776	1.5
101.02335	1.0
113.02336	1.5
117.03361	4.6
119.04922	51.1
120.05283	1.9
121.02907	0.4
134.03633	0.9
135.04469	0.7
137.02347	0.7
144.02269	0.3
145.02866	14.4
146.03271	0.7
149.04465	0.4
149.06035	0.6
160.01579	0.7
163.03925	100.0
164.04245	4.5
173.04509	2.2
175.03938	0.8
191.05515	0.6
193.05058	1.3
327.08777	0.8
330.70715	0.4
337.09369	1.4
343.08148	0.5
402.13593	0.4
403.39194	0.4
501.23514	1.6
503.17169	0.4
507.52216	0.4
543.24438	0.8
561.25232	0.8
707.29181	5.8
708.29663	1.0
765.62207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
59.93789	0.3
61.36201	0.3
64.23745	0.3
68.94401	0.3
71.01234	0.3
87.00758	1.1
99.00765	0.4
101.02398	0.4
119.04939	0.4
121.02821	0.7
132.02098	0.4
134.03615	0.7
135.04417	0.3
137.02333	0.6
137.05988	0.4
145.02812	0.7
147.04483	0.6
148.01515	0.4
149.02333	0.8
149.05875	0.7
156.28996	0.3
160.01624	0.5
161.02357	0.9
162.03090	0.6
163.03909	0.7
174.03149	0.6
175.03883	0.9
176.01015	0.4
177.01884	0.8
178.02554	0.3
189.01854	1.2
189.05498	0.6
190.02650	2.4
191.03424	1.2
191.07138	0.4
193.05037	0.7
202.02727	0.5
203.03477	0.5
204.00465	0.3
205.01422	0.5
205.04982	0.5
216.00580	0.4
217.01389	1.8
217.05052	0.5
218.02065	0.6
218.05736	0.7
219.02931	0.7
219.06503	1.2
231.02975	0.5
232.03664	0.5
233.04524	1.2
245.04530	0.7
260.03348	0.3
260.06079	0.3
271.02289	0.4
295.06052	0.6
300.02789	0.3
309.03848	0.4
312.06326	0.3
313.03543	0.4
314.04117	0.4
326.04492	0.4
327.01328	0.3
337.03717	0.5
339.04916	0.7
342.03775	0.5
343.04385	0.4
353.02975	0.9
354.07578	0.7
355.08130	0.4
357.06262	1.0
358.06903	0.8
367.04449	0.9
368.05222	1.0
369.05746	0.4
369.09729	0.9
370.10400	0.5
372.08411	2.3
373.08997	0.4
379.08267	0.7
381.06265	0.5
382.06812	1.1
383.07404	0.7
384.08075	0.5
397.09323	8.3
398.09814	3.8
399.10437	0.6
404.07507	1.2
409.13095	0.3
410.06509	0.5
411.11105	1.4
412.11548	0.7
425.08740	17.4
426.09406	7.0
427.09311	0.5
427.14398	0.6
439.10449	1.5
440.11121	3.3
454.12631	0.7
455.13470	100.0
456.13776	13.1
497.14246	0.6
530.80231	0.4
545.17487	0.5
749.23291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
61.09314	0.4
68.57457	0.4
70.52274	0.3
71.01255	0.8
71.49310	0.4
73.09057	0.4
73.66760	0.4
85.02829	0.8
87.00757	1.2
113.02324	0.5
119.04943	0.6
134.03606	1.3
137.02197	0.4
141.97136	0.4
145.02766	0.6
147.04294	0.4
149.02367	0.7
149.58968	0.4
151.03986	0.4
157.45306	0.4
161.02292	0.6
162.03096	0.9
163.03931	1.2
167.03337	0.4
173.04515	0.4
173.05975	0.5
175.03899	0.6
176.01086	0.8
177.01918	1.2
189.01733	0.7
189.05424	0.5
190.02643	1.7
191.03433	1.1
193.04929	0.8
205.01416	0.7
205.05005	0.6
217.01450	1.3
217.05029	0.8
217.91043	0.5
218.05583	0.4
219.03033	0.5
219.06577	1.0
223.05984	0.5
232.03743	1.1
233.04385	0.5
245.04495	0.8
279.12482	0.5
313.03616	0.7
314.04401	0.5
325.21533	0.4
339.05182	0.7
339.15771	0.5
343.08310	0.6
353.02972	1.0
354.07269	0.5
357.06244	0.9
358.06915	0.9
367.04758	0.7
368.05133	0.9
369.09927	1.0
372.08527	1.9
379.08078	0.6
382.06650	0.6
383.07532	0.9
384.08719	0.6
396.04761	0.6
396.70697	0.5
397.09323	7.6
398.10114	2.3
404.07422	0.9
407.07532	0.5
409.13150	0.5
411.10928	1.1
412.11722	0.9
425.08774	16.8
426.09451	5.6
427.14069	0.5
439.10315	1.3
440.11148	2.7
455.13461	100.0
456.13824	10.9
497.14578	0.9
746.63068	0.4
749.23334	0.9
749.36810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4482
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01754	1.8
57.03323	3.4
58.00452	0.8
59.01252	14.6
60.99146	0.2
61.98702	10.9
67.01741	0.6
68.99700	1.8
69.03309	0.7
71.01254	24.5
72.01566	0.4
72.99181	1.9
73.02820	3.6
75.00749	14.5
78.39513	0.2
82.05682	0.2
83.01255	3.9
83.08148	0.2
84.02025	0.3
85.02825	17.5
85.99970	0.5
86.03142	0.4
87.00741	2.7
89.02319	8.3
95.01260	3.4
96.24583	0.2
97.02831	0.3
99.00759	12.8
101.02304	1.3
111.00732	0.7
112.01514	0.3
113.02335	7.3
114.02634	0.3
115.00227	0.5
119.03393	0.3
129.01823	0.7
130.99731	0.6
131.03394	0.7
131.68498	0.2
139.00273	0.4
147.04320	0.9
148.05138	0.2
149.04433	0.4
157.01320	1.4
163.04082	0.2
175.03827	0.2
191.03447	0.3
211.13359	0.4
230.04428	0.3
254.04282	0.6
423.32800	0.4
439.35849	2.0
440.35873	0.4
509.39932	1.0
553.38922	0.3
599.39417	0.5
617.40131	0.5
731.32019	0.3
749.44757	100.0
750.45111	24.5
779.16437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44349	3.3
57.03312	3.9
58.91375	2.4
59.01250	10.5
60.10996	2.4
71.01250	16.4
71.45232	5.1
72.99168	4.5
75.00753	23.4
77.89596	2.4
85.02834	21.5
86.48119	2.3
87.00761	8.4
95.01292	5.2
99.00768	17.1
104.41199	2.7
110.34424	3.0
113.02334	21.9
117.01878	3.9
148.71556	2.3
163.11189	4.1
189.59995	2.7
209.11781	40.2
222.45047	2.5
249.06177	2.9
255.23276	88.6
256.23553	7.7
341.25247	2.9
473.39105	2.7
505.30347	5.4
715.42804	100.0
716.43298	23.1
747.45465	61.5
748.46082	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.3
61.98693	0.7
71.01260	1.1
73.02791	0.3
75.00757	0.4
85.02824	0.4
87.00747	1.1
93.03317	0.4
96.95891	0.4
99.00782	0.4
101.02325	0.3
113.02335	0.7
119.04903	0.6
121.02872	0.6
123.00809	0.3
130.99803	0.4
133.02812	0.5
134.03638	1.0
135.04376	0.5
137.02380	0.6
138.46831	0.3
145.02827	0.8
147.04442	0.7
148.01505	0.6
149.02318	1.3
149.05949	0.5
150.03093	0.4
151.00246	0.4
151.03813	0.3
159.04367	0.4
161.02335	1.1
161.05988	0.4
162.03101	1.0
163.03897	1.0
164.04706	0.7
165.01855	0.3
173.02327	0.4
173.06039	0.8
175.03885	0.7
176.01041	0.7
177.01808	1.0
177.05466	0.4
179.03447	0.5
187.03923	0.5
189.01846	1.0
189.05469	0.6
190.02679	1.9
190.06110	0.3
191.03407	1.9
191.05316	0.3
191.07074	0.7
193.05006	0.8
201.01755	0.3
203.03442	0.7
204.04163	0.3
205.04987	0.9
217.01349	2.0
217.04889	0.7
218.02016	0.7
218.05740	0.9
219.06602	1.4
223.06078	1.0
230.02274	0.4
231.02908	0.4
233.04485	0.8
245.04552	1.5
252.72681	0.3
267.06793	0.5
271.02341	0.3
295.06015	0.3
300.02658	0.5
304.50195	0.4
309.04126	0.4
311.01913	0.3
315.01202	0.5
321.03479	0.3
323.05646	0.4
329.06641	0.4
337.03473	0.5
339.05051	1.1
340.05634	0.9
342.03729	0.5
343.04492	0.4
343.08215	0.5
353.02988	0.8
354.07370	0.5
355.07831	0.4
357.06207	0.6
358.06894	0.9
367.04504	0.9
368.05283	0.9
369.05746	0.3
369.09708	1.3
370.10443	0.4
372.08475	2.0
379.08197	0.5
382.06921	0.8
383.07675	1.2
396.04541	0.5
397.09268	8.2
398.09995	3.5
399.10092	0.4
404.07367	1.6
411.11182	1.4
412.11639	0.7
425.08759	15.3
426.09515	5.7
427.09378	0.5
427.14362	0.6
439.10510	1.1
440.11072	2.9
441.11465	0.5
453.11783	0.3
454.12634	0.6
455.13464	100.0
456.13797	13.0
497.14581	0.7
749.22931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99493	4.2
59.49254	4.8
71.10326	9.3
71.13892	4.5
75.45778	4.2
99.28083	4.6
108.01968	4.8
109.02830	8.3
111.82134	4.6
116.82151	4.4
117.22369	4.1
121.02861	11.4
122.03552	7.1
123.04404	56.8
123.53779	4.6
135.04456	23.4
137.05957	5.1
148.01596	4.9
149.02350	9.9
150.03146	11.0
151.03885	46.7
161.02361	100.0
162.03107	15.4
163.03938	38.9
167.03404	5.2
169.96851	4.5
179.03447	31.1
181.05017	20.3
183.73557	4.1
190.02667	16.1
191.03412	41.7
192.03975	5.3
203.03503	7.3
207.02980	7.6
209.04518	59.1
220.03648	14.8
221.04495	16.7
239.05545	25.8
248.34148	4.4
313.07077	18.4
331.08249	29.3
361.09256	11.1
451.12244	7.7
625.17755	84.8
626.17664	21.1
637.18195	5.3
655.18634	46.2
656.19403	8.1
727.20728	7.8
745.22015	62.5
746.21515	8.6
769.67529	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	747.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.2
57.03314	2.7
58.00485	1.0
59.01255	13.4
59.73883	0.9
61.98701	5.5
62.47538	0.9
62.85347	0.8
68.99706	1.3
70.72206	2.8
71.01255	25.5
72.99191	2.1
73.02830	3.5
75.00751	13.1
80.96371	1.7
83.01263	2.5
85.02818	16.3
87.00750	2.1
89.02316	8.0
91.05406	0.9
95.01276	4.3
95.04906	0.9
99.00768	13.0
101.02323	2.6
103.05441	1.0
105.03322	1.6
111.00773	1.1
113.02332	9.6
116.30847	1.0
119.04898	1.5
137.02385	1.4
137.09593	1.7
147.04456	10.5
148.05116	1.8
149.05965	1.7
157.01303	1.3
171.10062	0.9
187.03703	1.0
191.03458	3.0
204.01270	1.0
211.13356	2.6
264.31320	1.1
427.37112	1.2
437.34299	3.2
444.88162	1.1
503.78836	1.2
507.38809	1.4
747.43420	100.0
748.43726	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03315	2.5
59.01253	11.2
61.98689	3.1
67.01741	0.9
67.07187	0.7
68.99689	2.1
69.60783	3.1
69.61190	1.4
71.01252	21.0
72.99166	1.6
73.02829	4.3
75.00336	0.4
75.00745	13.3
77.00399	0.6
80.96371	2.2
81.14385	0.6
85.02825	14.9
87.00749	2.0
89.02321	6.2
93.97221	0.7
95.01255	2.5
99.00765	12.5
101.02319	1.4
102.81767	0.7
109.27003	0.6
110.23686	0.7
113.02320	6.0
129.01851	0.9
131.03407	0.9
147.04442	3.5
155.89771	0.8
157.01305	1.3
191.03352	1.4
193.04889	1.0
211.13351	1.0
437.34286	2.7
444.99673	0.7
507.38248	1.0
747.43384	100.0
748.43835	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42168	0.8
55.01747	0.7
57.03308	1.5
59.01252	11.2
61.49766	0.6
61.98703	10.0
69.03339	1.3
71.01265	6.4
71.54524	1.2
73.02815	2.5
75.00742	1.8
77.52892	0.6
83.01279	1.0
83.58920	0.7
85.02811	2.9
87.00748	7.3
89.02314	1.8
89.80212	0.6
93.03316	1.6
95.50681	0.8
96.11715	0.6
96.95886	1.4
97.02838	0.7
99.00741	1.3
99.04431	0.9
99.17529	0.7
101.02336	3.2
107.04944	1.5
108.02038	0.9
109.02864	0.8
111.00777	1.3
111.04417	0.9
113.02330	3.3
119.04900	2.4
121.02863	3.9
123.04414	1.7
125.02315	1.5
125.42964	0.7
129.01790	0.8
133.02846	1.5
134.03633	5.5
135.04404	1.4
135.08044	1.4
135.80829	0.8
136.01569	0.8
136.05272	0.8
137.02362	4.7
139.03864	1.1
145.02846	2.1
145.04939	0.8
146.03603	1.3
147.04442	9.1
148.05141	2.2
149.02304	1.3
149.05988	11.0
150.06770	69.2
151.00240	2.0
151.03897	1.4
151.07173	3.1
152.00992	0.7
153.01831	1.3
159.04414	1.0
160.01569	1.0
161.02432	1.1
161.04443	1.1
161.05853	1.1
161.09637	1.3
162.06786	7.3
163.03903	2.5
163.07558	17.9
164.08342	8.8
165.03954	1.6
165.05397	0.9
165.08884	1.2
171.10075	0.9
173.04510	1.4
173.05977	1.5
174.03015	1.0
175.03865	1.7
176.08276	1.5
177.01813	1.0
177.09122	8.9
178.09900	3.9
178.99835	1.0
179.03235	0.8
179.10698	28.8
180.11046	1.6
187.03920	1.1
187.07578	1.2
189.05447	1.0
189.09180	0.9
190.02596	1.0
191.03394	2.3
191.05408	1.8
192.04166	3.1
193.05011	7.9
194.05357	0.9
198.03195	0.8
201.09120	1.5
209.11783	2.0
211.13319	1.1
218.01971	0.8
227.03445	0.8
227.10574	1.1
236.03052	0.7
242.10170	0.7
255.02951	2.6
257.04355	0.9
266.02197	1.4
271.02441	1.3
283.02640	4.0
284.03162	2.3
289.21637	4.7
299.01880	2.3
300.02789	1.2
313.03458	1.6
314.04022	1.1
315.19611	1.1
328.05765	1.6
333.20718	4.4
334.20901	0.9
341.10083	0.8
343.08167	3.3
353.10257	1.0
375.21518	1.2
381.10330	0.9
447.08591	0.7
462.33975	1.0
477.35825	10.1
478.36136	1.0
480.34528	14.6
481.34705	2.5
487.09109	1.5
488.09720	1.5
493.35233	2.2
494.36136	18.0
495.36884	100.0
496.37225	18.1
537.26862	1.9
537.38220	4.9
538.38477	1.1
551.27808	0.7
615.96027	0.8
639.41156	13.2
640.41333	2.1
657.42633	1.5
683.24426	1.0
699.43622	5.8
700.43811	1.1
743.20203	1.0
743.34644	3.7
744.34680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.5
58.00461	0.5
59.01255	65.6
60.01562	0.5
61.98682	1.1
67.05362	0.6
69.03323	0.7
69.35850	4.3
71.01258	8.3
71.04890	0.7
71.26095	0.4
72.99175	1.7
73.02819	2.9
75.00726	0.7
79.05391	0.8
79.66296	0.5
83.01250	1.2
83.04887	1.5
85.02826	4.0
87.00764	5.0
89.02327	5.5
89.03841	0.7
93.03325	1.3
95.01252	1.0
95.04935	0.7
96.95944	0.6
97.02879	0.5
97.06460	1.1
99.00762	9.0
99.04414	3.5
101.02329	2.9
107.01289	0.6
107.04900	0.5
108.02060	1.5
109.02845	2.0
109.06490	1.0
111.00776	0.9
111.04429	0.6
113.02344	6.2
117.03341	2.0
119.03392	1.2
119.04927	0.9
119.08567	3.1
121.02808	1.2
121.06444	0.7
122.03642	0.8
123.04411	1.5
124.01543	0.5
125.02305	0.7
130.99783	0.6
131.03401	1.6
132.01994	0.5
134.03638	26.8
135.04024	2.4
135.08054	2.2
135.11703	1.5
136.04155	0.8
137.02309	1.9
137.09631	11.7
139.03960	0.7
141.05464	0.7
141.91008	0.5
143.03401	0.7
145.02754	1.1
146.03667	0.8
147.04469	1.5
149.02400	1.3
149.04483	1.8
149.05981	2.8
150.03064	0.6
151.00218	1.1
152.00983	0.6
153.01834	1.6
160.01572	3.0
161.04457	1.5
161.09633	3.5
163.03946	1.3
163.07533	2.4
164.04710	0.6
165.05434	1.2
171.10176	1.6
173.04362	0.7
173.09625	0.6
175.03952	4.7
176.04338	0.6
177.01779	0.6
178.02664	1.1
179.03409	0.6
179.06958	0.5
179.10681	5.8
181.07104	1.1
181.08640	18.1
182.09000	1.1
189.05525	0.8
189.12756	1.6
191.03276	0.9
191.05521	1.3
193.05009	34.5
194.05356	4.3
195.05357	0.7
197.11768	23.3
198.12042	1.1
223.09666	5.1
227.03494	0.7
241.10799	17.2
242.11107	1.3
243.02878	1.6
255.02969	3.4
256.03372	1.5
267.06989	0.6
271.02478	6.4
272.02872	2.0
285.03812	0.7
300.02780	10.8
301.03180	3.9
302.03351	1.4
313.03513	1.2
337.09528	0.7
341.10510	0.7
343.08167	1.4
348.35623	0.6
387.20224	0.7
463.14163	0.6
463.21274	0.6
488.64520	0.6
501.23419	0.9
519.24396	6.6
520.25055	1.2
595.13257	1.4
596.13788	0.8
597.15320	0.7
627.23187	0.6
637.14703	0.8
663.17163	0.7
695.21466	0.7
699.28375	1.0
725.18134	1.4
725.33679	1.5
743.20355	3.7
743.35004	100.0
744.20990	1.1
744.35376	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.0
59.01252	5.5
61.84002	0.6
61.98703	16.2
67.74018	0.7
71.01270	4.1
71.33183	0.9
73.02833	1.0
80.02525	0.8
81.03333	1.5
83.04913	3.6
84.02032	0.9
85.02850	0.9
86.16924	0.6
87.00751	8.6
88.00272	2.4
89.02309	3.3
99.00789	0.9
101.02335	3.9
109.43032	0.6
113.02326	2.4
119.03350	1.2
124.47491	0.6
125.09630	1.6
127.11169	2.5
139.11256	0.7
140.47644	0.7
143.03447	0.7
152.99527	0.6
161.04561	1.5
163.07350	0.8
163.11200	3.1
165.12747	2.9
171.10181	2.7
172.10559	0.9
179.05470	0.9
181.12248	0.7
191.10667	0.8
199.09627	1.2
201.11266	43.6
202.11580	2.6
209.11778	100.0
210.12105	6.4
211.13377	0.8
225.11220	1.0
227.12878	10.3
235.08264	3.0
253.09253	14.1
254.09790	0.9
255.02957	1.5
271.02475	3.7
277.21732	69.6
278.22037	10.1
279.22345	1.4
289.98346	0.7
300.02698	6.3
301.03311	1.1
434.94577	0.7
437.20184	2.1
438.37518	0.7
443.31509	1.0
445.20920	1.2
461.32712	1.9
486.55374	0.6
741.18616	4.6
741.42151	1.0
742.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.2
61.98701	16.5
69.77159	7.9
76.10954	1.3
78.95776	48.7
79.95621	2.7
80.96437	2.6
85.62710	1.3
87.78477	1.2
96.96833	4.7
125.15462	1.3
137.02299	1.6
139.07414	1.3
141.42813	1.4
147.04388	3.7
148.05132	2.1
152.99490	54.6
171.00525	2.7
184.52092	1.4
185.05685	1.6
192.04283	1.6
227.03189	6.6
253.21713	32.5
254.21866	2.3
255.23198	4.6
260.99908	1.6
271.02435	2.4
275.86322	1.5
277.21725	100.0
278.21976	8.9
279.23126	3.0
281.24814	5.4
283.26379	3.0
300.02682	2.3
413.20914	1.8
505.25735	96.9
506.26062	13.6
627.31702	1.8
741.47369	26.9
742.47498	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	742.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
60.99181	0.6
61.98706	100.0
71.01268	0.9
71.53445	0.3
72.04482	0.2
75.26729	0.2
83.04930	0.3
87.00775	0.7
88.00291	0.5
88.98679	4.3
89.02325	1.0
89.83867	0.2
101.02343	0.5
113.02353	0.4
119.03430	0.2
125.09520	0.2
142.17725	0.2
146.65308	0.2
163.11267	0.3
164.11452	0.2
171.10202	0.6
201.11270	4.4
201.13176	0.2
202.11613	1.7
209.11780	10.7
210.12120	3.4
227.12862	0.9
228.13216	0.4
235.08270	0.4
253.09343	1.7
254.09677	0.5
277.21744	6.9
278.22043	4.0
278.24927	0.2
279.22699	0.4
282.25186	0.3
397.13693	0.3
545.50134	0.2
668.30688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.0
65.00179	5.5
69.78077	14.1
81.03336	3.5
83.01242	5.8
85.42372	2.8
97.02826	6.5
107.01270	8.1
109.02859	2.8
121.02854	10.1
123.04410	4.9
125.02345	23.4
135.04419	71.9
136.04761	4.0
137.02319	7.8
140.52306	2.5
142.88284	2.8
149.02333	11.5
150.03038	2.8
151.00301	18.5
159.04358	6.8
161.02303	7.4
163.00282	7.9
165.01852	17.1
167.03394	11.9
177.01857	3.4
177.05496	2.8
193.01366	100.0
194.01648	6.4
197.04533	3.8
198.76802	2.5
201.02008	2.8
223.02356	17.2
236.26758	2.8
297.07913	3.3
328.05893	4.8
329.06696	48.0
330.06894	3.5
359.07651	11.4
449.11032	4.7
623.16119	71.4
624.16785	7.8
653.17737	15.7
743.20514	63.0
744.20300	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	743.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41658	1.9
63.87387	2.1
65.00191	4.7
70.40704	2.7
70.41077	3.6
72.22212	1.5
76.23214	2.4
79.01730	1.8
80.68807	1.5
81.03300	1.6
83.01237	4.5
93.03316	3.7
97.02821	5.8
105.03355	2.2
106.59280	1.8
107.01274	8.6
109.02863	2.0
111.04408	2.5
116.45471	1.5
120.58358	1.6
121.02853	10.6
123.00866	2.0
125.02343	18.1
134.03625	2.3
135.04413	66.9
137.02324	5.7
137.57195	1.5
149.02350	8.3
150.03110	3.1
151.00278	14.3
153.01857	2.0
159.04396	7.2
161.02364	5.4
163.00272	7.7
164.01054	3.6
165.01819	14.9
167.03366	14.7
190.99863	2.1
193.01353	100.0
194.01691	4.9
197.04565	2.3
201.05518	2.3
205.01337	3.8
206.02179	2.8
207.02934	2.3
223.02432	17.7
237.21475	1.6
285.07721	3.3
287.05603	4.8
300.05975	2.2
328.05710	2.5
329.06683	41.3
330.06949	3.7
359.07675	8.7
426.40677	1.7
449.10751	4.6
614.66913	1.7
623.16174	65.7
624.16595	10.9
653.16913	15.4
654.18030	2.9
706.74951	2.3
743.20428	56.6
744.20728	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	743.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.8
59.04844	0.8
61.98703	6.3
71.01255	3.3
73.02821	1.4
73.82904	0.8
75.00729	1.1
80.02536	1.6
85.02840	1.4
87.00752	7.0
91.05407	1.1
108.02053	19.0
109.02876	4.4
121.02848	2.1
121.62906	0.8
123.04403	23.9
124.01534	1.5
124.04707	0.8
133.02847	1.4
134.03619	1.7
135.04420	11.2
136.01494	1.2
137.02330	1.5
138.03094	3.0
139.03902	2.6
147.04443	4.7
149.02350	1.2
149.05956	1.9
151.03920	3.0
153.05479	6.6
159.04451	1.1
161.02213	0.8
163.03893	0.8
164.04668	2.3
179.07016	2.2
179.08521	1.4
192.04126	1.0
196.05150	0.9
197.11687	1.2
211.03970	1.3
211.13318	1.0
212.04633	1.0
212.89371	0.8
221.09570	0.9
223.07559	2.5
227.07140	1.0
237.05568	3.1
238.06311	1.0
240.04222	0.8
248.08325	1.0
249.05475	3.6
249.09181	28.8
250.06386	1.6
250.09474	2.4
251.03490	1.0
261.09344	1.2
263.07095	3.6
267.06613	1.2
269.08072	1.6
294.05319	3.6
301.10818	25.0
302.11090	2.4
309.07645	10.0
310.08023	1.1
313.03427	1.5
315.09918	1.1
324.09995	1.1
326.09256	1.0
339.10114	4.3
340.10928	1.4
341.11758	12.2
342.07538	1.9
342.11865	1.4
343.08087	3.1
353.11902	4.0
354.12537	1.1
369.59491	0.8
373.14560	1.9
385.10883	1.5
386.07758	2.6
400.13129	4.4
401.10092	8.9
403.11743	1.5
415.15524	58.9
416.15753	7.4
477.13712	0.9
507.18100	100.0
508.18387	15.7
539.20734	58.8
540.21088	9.0
699.24878	1.3
699.42419	1.0
738.55786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.5
70.84290	1.8
76.49653	0.9
102.95172	0.9
107.01264	3.6
108.02065	3.8
121.02869	2.2
123.72170	1.0
135.00812	1.6
148.01553	2.2
151.00298	8.5
151.69533	0.9
163.00247	1.4
164.01077	1.6
178.99861	5.3
199.03967	1.6
202.02727	1.2
215.03452	1.1
226.02667	3.0
227.03464	3.9
243.02963	19.2
244.03355	2.1
254.02167	3.1
255.02980	41.7
256.03308	4.1
271.02493	100.0
272.02933	8.3
299.02014	3.0
300.02744	86.8
301.03287	13.8
324.07632	1.0
626.83160	1.2
701.93475	1.1
709.16577	1.0
741.18866	47.7
742.19330	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	741.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	1.5
69.70752	4.3
71.01231	0.8
81.19372	0.8
83.01285	1.1
87.00733	3.0
93.03351	2.2
99.00725	1.2
107.01296	2.1
108.02061	1.0
109.99982	4.2
111.00787	1.9
117.03356	1.0
122.12997	0.8
123.00743	1.1
124.01512	1.1
134.03671	0.7
135.00790	1.0
136.98703	1.7
137.99474	1.5
139.00261	4.6
140.59563	0.7
148.10417	0.9
151.00296	6.3
152.01077	1.5
155.04912	1.1
159.04480	1.4
163.00281	1.2
165.98956	7.7
166.99733	3.1
171.04466	1.6
178.99788	4.1
183.04427	2.5
185.06081	0.9
187.03896	1.9
193.98506	1.4
194.99300	0.8
195.04355	1.0
198.03157	2.1
199.03828	1.9
200.04768	0.9
201.05461	1.3
203.03493	1.0
211.03917	2.8
215.03421	1.4
216.04117	1.5
226.02693	1.9
227.03407	8.0
228.04028	1.2
229.05032	2.2
231.02814	0.8
239.03500	1.3
243.02951	11.6
244.03671	2.6
251.49095	0.9
254.02200	3.2
255.02972	35.6
256.03546	3.4
257.04459	1.6
269.64801	0.7
271.02475	37.7
272.03189	14.3
273.03586	1.7
282.01736	1.7
283.02454	16.6
284.03143	7.3
285.04001	6.4
299.01932	4.0
300.02734	69.2
301.03439	25.5
302.03824	2.1
579.13129	1.5
631.15308	1.0
723.17218	1.1
724.17938	0.9
741.18823	100.0
742.19147	20.2
757.82697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.1
71.01250	3.8
71.52683	1.4
72.99164	1.6
73.02804	1.6
73.25091	1.0
75.00719	0.9
83.01212	0.9
85.02831	1.7
87.00745	3.2
89.02322	1.1
93.03360	4.3
95.04904	1.0
99.00764	1.3
101.02322	1.8
108.02028	1.0
109.02840	1.6
113.02322	2.2
117.03333	2.4
119.04927	0.9
121.02859	14.9
122.03683	4.3
123.04403	1.0
124.01537	1.1
125.02379	1.4
129.25894	1.0
132.02071	2.1
133.02815	2.0
134.03633	64.8
135.04068	3.5
136.01547	0.9
137.02354	6.4
139.03923	2.3
147.04440	1.4
149.02353	21.7
149.05972	13.0
150.03140	51.0
151.00313	1.1
151.03490	2.2
152.01036	1.0
153.01883	1.5
160.01576	9.6
161.04549	0.9
163.03908	1.2
164.04691	4.0
165.05486	45.1
166.05814	3.5
172.05289	0.8
173.04411	2.7
173.05833	1.0
175.03917	15.6
178.01178	1.5
178.02649	21.9
179.03004	1.3
180.04169	3.4
193.04993	100.0
194.05287	6.1
195.06549	25.2
195.08318	1.3
196.06844	1.7
221.06044	1.2
227.10654	1.0
233.06053	0.9
237.09706	2.0
238.06271	0.9
239.07144	2.7
243.02966	2.0
250.06308	2.8
255.02933	2.3
267.06812	3.1
270.09418	1.0
271.02472	5.4
282.09000	7.7
283.09253	1.3
299.86142	1.0
300.02780	9.9
301.03394	1.7
333.09720	2.6
341.10306	36.2
342.10712	4.2
351.12836	1.2
361.16678	1.3
369.13885	2.0
371.11353	7.2
389.12411	37.0
390.12781	5.9
545.18872	15.3
546.18988	3.1
579.13696	1.6
741.17828	3.8
741.26740	3.9
742.19373	1.1
742.26062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.5
61.98708	0.6
71.01260	1.6
73.02809	0.5
76.92174	0.4
87.00771	0.8
89.02299	0.4
89.03867	0.5
93.03338	1.4
108.02058	0.7
109.02861	2.3
111.00741	0.3
112.16723	0.3
113.02365	0.5
117.03343	2.1
119.04934	0.5
121.02844	6.4
121.03677	0.5
122.03646	4.7
123.04478	1.4
124.01572	0.7
125.02336	0.6
129.03368	0.4
132.02071	16.6
133.02939	1.4
134.03638	33.9
135.03885	1.5
136.01553	0.4
136.05156	0.4
137.02362	2.0
145.02850	0.6
146.03586	0.5
147.04427	3.7
148.05183	0.4
149.06003	6.0
149.07182	0.5
151.03967	0.5
152.01131	0.3
154.02634	0.9
155.03362	0.4
159.04411	0.3
160.01578	78.2
161.01912	3.4
161.06017	1.2
163.03966	0.7
164.04692	0.4
165.04108	0.6
165.05493	10.6
166.05801	0.7
172.05193	0.4
173.04488	0.9
173.05948	0.3
174.03163	1.4
175.03929	100.0
176.04266	4.5
176.81010	0.3
177.01793	0.5
177.05438	0.5
178.02628	2.9
178.06171	0.6
179.03163	0.3
179.07074	3.8
188.04732	0.4
189.05519	0.4
193.05000	44.5
194.05298	3.2
202.02672	1.8
203.03326	0.4
203.07097	0.4
206.55812	0.3
209.08281	0.4
211.85463	0.3
215.07016	0.3
217.05028	2.5
223.09724	0.3
233.08211	0.5
243.03073	0.5
255.02859	0.5
271.02509	1.1
272.02939	0.4
298.12186	0.3
299.02020	0.4
300.02658	2.0
301.03381	0.6
313.14386	0.6
315.12460	1.1
319.08234	0.5
326.87897	0.3
337.09412	0.3
346.10291	0.5
346.14188	3.7
347.14856	1.1
361.16574	22.8
362.16949	2.5
365.08890	0.4
379.10342	35.7
380.10764	3.2
410.72974	0.4
453.78595	0.3
492.28094	0.3
505.20950	0.6
547.21948	0.9
565.23663	0.3
567.17816	0.5
741.27728	16.4
742.27899	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	741.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00492	0.6
59.01249	5.6
61.98705	2.2
68.99675	0.5
69.95149	0.8
69.95551	1.7
71.01256	4.7
73.02830	0.9
78.95783	0.7
80.02552	0.5
81.03343	1.4
83.04874	3.2
85.02833	1.4
87.00785	1.1
89.02316	2.2
99.37136	0.6
101.02332	4.4
113.02312	2.4
125.09647	1.4
127.11166	2.6
135.08063	0.8
140.65729	0.5
143.03375	0.6
157.93221	0.6
161.04463	2.3
162.59502	0.5
163.11211	2.7
165.09105	0.9
165.12784	1.2
171.10168	1.5
172.10637	0.7
179.05386	0.6
191.10735	0.7
199.09694	0.9
201.11264	43.4
202.11617	2.6
209.11780	94.9
209.62865	0.7
210.12112	5.1
212.43460	0.6
225.11211	0.7
227.12860	11.0
235.08229	7.4
253.09273	17.3
277.21729	100.0
278.22073	9.0
300.02734	2.2
369.57404	0.6
413.83829	0.6
434.99112	0.6
437.20642	0.9
445.21133	1.3
461.32736	1.2
469.04517	0.6
513.30743	1.1
741.19446	0.9
741.42090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
59.01249	84.0
61.98719	8.5
71.01255	13.3
73.02819	13.3
75.64890	1.5
83.01272	4.8
85.02848	3.9
87.00748	4.6
89.02326	2.4
101.02319	15.9
113.02340	6.2
119.03396	2.6
119.04999	1.6
121.02866	3.8
143.03435	1.9
149.04428	2.4
161.04471	3.6
163.80659	2.0
169.12257	10.8
188.77119	1.7
195.13669	1.9
197.11768	2.1
203.05644	2.1
209.11771	4.6
210.12144	2.1
223.13345	2.7
271.02448	3.5
285.89264	2.2
293.21188	2.4
294.21341	2.7
300.02798	4.3
309.20645	2.5
342.07678	2.9
415.35556	2.8
441.33954	2.2
459.34793	31.8
460.35178	3.7
477.35864	100.0
478.36209	17.7
519.37000	10.6
734.18628	1.9
741.40405	13.4
742.41504	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	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07220	0.6
55.01744	1.0
56.44428	0.6
57.03323	3.2
58.00446	0.7
59.01252	52.7
60.01557	0.8
61.98698	4.5
69.03337	1.0
70.45134	0.8
70.45501	2.1
71.01255	18.6
72.99175	2.5
73.02821	6.9
75.00739	2.7
75.98702	0.6
78.95770	0.9
81.03325	0.7
83.01263	3.7
85.02825	11.5
85.99970	1.2
87.00744	5.6
87.04388	1.8
89.02321	3.8
93.03375	0.9
95.01279	3.5
95.95547	0.5
96.95914	1.3
97.02829	0.9
97.27923	0.7
99.00774	4.5
101.02324	10.9
105.03405	1.1
107.01226	0.6
108.04568	0.6
109.02792	1.1
111.00713	0.8
113.02332	8.7
117.03295	0.9
119.03449	0.8
119.04925	5.2
121.02837	1.5
123.00746	1.2
123.04429	1.4
124.01509	0.7
125.02341	2.8
133.02876	0.6
134.03615	2.2
135.04388	1.4
137.02342	2.2
138.03107	0.8
141.01883	0.7
143.03348	0.8
145.02853	1.9
147.04425	3.1
148.05183	0.7
149.02417	0.7
149.05983	1.8
151.00235	2.5
152.01093	0.7
153.01830	1.8
159.03017	1.0
161.04456	1.9
162.06728	2.3
163.03923	10.9
164.04611	1.0
165.01852	2.5
165.05342	0.9
166.02635	4.6
167.03389	1.3
172.35344	0.6
174.03236	0.6
175.03955	1.8
175.07570	1.0
177.01796	0.8
177.09045	1.1
178.02663	1.2
178.99803	3.3
181.01308	1.7
189.01930	0.7
191.03380	1.0
192.04164	1.3
193.01350	1.9
193.04929	3.4
194.02176	1.5
199.07523	0.8
201.09195	1.6
205.01372	0.9
209.11813	1.9
211.13321	1.1
221.00844	3.6
223.02385	0.9
243.10323	1.1
251.01884	0.9
255.02769	1.0
271.02396	2.5
277.21634	2.6
285.03909	1.4
299.01959	0.8
300.02728	4.8
301.03366	0.9
303.05176	2.8
341.05063	2.2
343.08292	1.2
345.06204	7.3
375.07291	1.6
457.33224	1.0
464.09546	2.6
465.10287	2.5
475.34543	0.9
569.36908	1.1
581.37152	0.9
599.38129	2.2
611.37897	1.5
619.38934	0.9
637.39203	3.1
641.38617	4.2
642.39404	0.7
655.40692	1.7
679.40460	5.0
680.40521	1.4
697.41669	100.0
698.41937	23.3
741.18402	1.6
741.35248	0.7
742.30957	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	741.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00919	0.3
55.44910	0.3
59.01252	4.4
60.01567	0.4
61.98705	3.8
62.63842	0.3
69.87791	1.8
71.01248	1.5
75.00743	1.1
77.03831	2.9
78.95759	0.5
80.02564	0.5
81.03347	0.4
83.04907	1.8
83.08528	0.4
85.02843	0.7
87.00766	0.8
89.02307	1.0
93.03360	0.7
101.02350	1.3
113.02354	0.7
118.18008	0.4
119.03384	0.4
121.02847	100.0
121.10146	0.5
122.03169	3.6
137.02281	0.7
141.39992	0.4
148.05432	0.3
152.99429	0.6
161.04570	0.8
163.11212	1.2
164.75558	0.3
165.01848	73.2
165.12730	0.9
166.02191	3.2
167.08826	0.4
171.10178	1.1
179.72203	0.4
180.05734	0.8
181.06503	2.4
185.11798	0.4
191.03421	1.5
195.13879	1.4
196.14178	0.6
209.11777	31.8
210.12117	15.3
210.14191	0.4
211.13318	1.3
212.13654	0.4
213.14871	0.5
223.13414	1.0
225.05463	1.7
227.12851	4.5
228.13200	1.5
235.08289	1.1
235.17123	0.6
253.09280	4.3
254.09584	1.7
255.02892	0.7
271.02478	1.1
275.20132	1.9
276.20493	2.1
277.21387	0.9
291.19733	0.7
293.21237	12.7
294.21552	10.4
295.21786	1.4
300.02661	1.5
309.20584	0.6
313.07266	2.0
357.01788	0.8
357.06119	10.3
358.06436	1.0
372.77539	0.4
505.25845	0.8
531.98639	0.4
549.10931	0.7
669.30292	0.5
741.14661	4.8
742.14856	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	741.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77486	0.2
59.01242	0.5
61.98722	0.3
63.02257	0.5
64.30967	0.2
65.00192	1.1
70.02767	0.8
71.01261	0.3
83.01255	0.6
85.02779	0.2
87.34731	0.2
91.01818	0.2
93.03320	0.4
97.25822	0.2
107.01256	1.5
108.02063	1.6
109.02843	0.4
117.03346	2.3
117.74799	0.2
119.04926	0.6
120.02080	0.3
121.02850	1.2
123.00768	0.2
125.02374	0.4
134.03645	0.2
135.00755	0.9
145.02856	3.5
146.03194	0.3
148.01547	1.7
148.48222	0.2
151.00279	6.0
156.67717	0.2
161.02400	0.2
163.00253	1.4
163.04037	0.3
164.01080	0.5
169.01315	0.3
171.04405	0.2
173.04480	0.4
175.03894	0.3
178.99765	3.2
183.04489	0.4
187.03929	0.4
192.00452	0.2
193.04869	0.4
198.03127	0.3
199.03905	0.7
201.01884	0.5
203.03459	0.3
211.03854	1.0
215.03377	1.0
216.04163	0.6
226.02684	1.7
227.03464	2.9
228.04091	0.4
229.01256	0.4
241.05147	0.3
242.30029	0.2
243.02954	11.5
244.03413	0.9
245.04518	0.3
254.02168	1.8
255.02959	25.4
256.03308	2.4
271.02469	57.6
272.02899	6.0
273.03958	0.8
283.02341	0.5
284.03186	0.4
299.01996	3.1
299.05283	0.3
300.02734	100.0
301.03296	16.9
302.03928	0.7
342.03470	0.3
355.04584	0.2
400.64548	0.3
410.50647	0.2
463.08832	0.3
577.11981	0.7
578.12408	0.4
595.13025	39.6
596.13422	7.2
619.33472	0.2
621.10663	1.8
741.16711	29.7
742.17041	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	741.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.2
61.85570	0.7
65.00203	1.2
66.77510	0.6
67.01753	0.5
71.01239	1.1
71.54677	0.7
79.84539	0.5
83.01277	1.0
87.00739	0.7
93.03327	1.6
96.95920	0.6
100.17767	0.6
107.01263	2.1
108.02056	1.9
109.02839	0.8
113.02311	0.6
119.04932	0.9
121.02821	1.5
130.99742	0.6
134.03656	3.8
135.00812	1.1
135.04407	0.9
137.02405	0.7
144.73688	0.6
145.02864	1.1
147.04410	1.1
148.01607	1.2
151.00272	6.0
152.20734	0.6
161.02417	0.8
163.00310	1.1
173.04433	2.0
175.03899	1.2
177.01833	0.8
178.25716	0.6
178.99776	3.8
193.05006	4.3
199.03937	1.0
203.03419	0.7
215.03436	0.7
216.04193	0.9
226.02634	1.5
227.03317	3.5
243.02943	13.2
244.03336	0.9
254.02214	2.2
255.02957	28.3
256.03311	2.8
271.02478	61.0
272.02975	8.2
273.04172	1.0
283.02594	0.8
299.01904	2.8
300.02737	100.0
301.03311	13.7
302.03763	0.9
313.03571	1.0
343.07941	1.2
595.13080	13.9
596.13440	2.8
741.16681	40.4
741.27686	1.4
742.17029	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	741.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27544	0.4
59.01238	0.8
63.02274	0.7
65.00174	0.6
69.48641	3.3
69.49043	0.9
74.40254	0.6
82.77254	0.5
93.03289	0.7
98.20667	0.6
107.01260	2.1
108.02053	1.9
117.03353	2.1
117.95640	0.6
119.04920	0.5
121.02818	0.5
134.03682	0.6
135.00801	0.7
145.02870	4.8
147.71066	0.6
148.01543	1.1
151.00264	6.6
152.01064	0.8
163.00266	1.2
164.01089	0.6
178.99835	3.4
183.04305	0.5
199.03954	1.3
202.48459	0.5
211.03845	0.6
215.03537	0.7
226.02713	1.1
226.09058	0.6
227.03474	2.9
243.02960	10.8
244.03470	0.8
254.02176	2.2
255.02956	28.0
256.03348	2.0
267.02728	0.5
271.02472	56.1
272.02951	6.6
273.03973	0.8
299.01974	2.2
300.02740	100.0
301.03290	15.9
490.19827	0.6
547.41638	0.7
595.13049	29.6
596.13605	5.2
621.10791	1.2
741.16650	32.6
742.16974	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	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.8
61.98703	100.0
62.98383	0.3
64.34483	0.2
64.49243	0.2
70.68661	0.6
71.01260	0.3
85.02831	0.2
87.00735	0.3
89.02354	0.2
101.02333	0.3
108.76823	0.2
110.82098	0.2
119.03425	0.2
120.73230	0.2
126.48929	0.2
132.90422	0.2
169.61816	0.2
171.10175	0.8
183.13867	0.4
197.11797	0.3
209.11800	2.0
210.12146	0.5
211.13416	1.5
212.13684	0.4
213.01663	0.2
227.12891	0.3
253.09286	0.5
268.55557	0.2
276.20749	0.2
277.21710	0.3
280.23718	0.2
291.19760	0.5
293.21271	1.2
294.21432	1.0
300.02856	0.6
309.20798	0.4
310.21384	0.3
399.13629	0.4
404.48071	0.2
437.47205	0.2
740.43396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80400	0.1
59.01245	0.7
60.01592	0.1
60.72183	0.1
61.98703	100.0
62.98410	0.2
67.01765	0.1
67.04007	0.1
71.01264	0.3
71.54494	0.1
73.02817	0.1
77.78728	0.1
81.03337	0.2
83.04926	0.4
85.02850	0.1
87.00766	0.4
89.02270	0.1
91.20080	0.1
93.03333	0.6
94.46389	0.1
96.60451	0.1
99.00745	0.2
101.02331	0.1
108.02039	0.1
109.02846	0.8
113.02346	0.1
117.03426	0.1
121.02830	0.1
123.04494	0.1
133.02872	0.1
134.03627	0.7
135.03979	0.2
137.02359	0.2
145.02847	0.1
147.04430	0.1
149.02353	0.1
149.06042	0.2
150.03204	0.1
151.00224	0.1
151.03998	0.1
152.01074	0.1
153.01842	1.2
160.01518	0.1
161.02405	0.1
163.03989	0.1
165.05489	0.2
167.03354	0.1
173.04483	0.8
175.03891	0.2
175.54367	0.1
176.04485	0.1
178.99785	0.1
189.05606	0.1
191.03560	0.1
191.05595	0.3
193.04988	0.9
194.05411	0.3
195.06520	0.1
201.09128	0.1
225.16173	0.2
226.16455	0.1
243.03058	0.1
255.02982	0.5
271.02539	0.9
283.02377	0.1
284.03391	0.1
299.01886	0.3
300.02731	1.2
301.03647	0.1
343.08374	0.2
353.10776	0.1
397.50235	0.1
428.10971	0.1
453.33435	0.1
595.13147	0.2
678.50293	0.5
679.50220	1.5
680.50592	2.9
681.51282	0.2
697.27124	0.7
740.49280	1.3
741.18207	0.5
741.49445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.7
61.98706	45.3
68.63866	1.3
71.01245	8.3
71.11040	2.9
83.01243	1.7
83.04903	2.1
85.02837	2.5
87.00740	1.2
89.02311	3.9
97.06473	1.9
101.02346	8.4
104.86603	1.3
111.08020	2.9
113.02323	3.5
119.03413	1.3
125.09550	1.3
150.75034	1.3
161.04448	2.7
165.12752	10.2
171.10095	2.0
179.05647	2.1
183.13834	88.5
184.14133	4.3
184.65596	1.3
192.38115	1.3
195.13857	10.1
197.11745	4.7
199.13348	1.6
205.12271	2.2
209.11754	16.4
211.13336	23.4
212.13718	2.1
223.13370	9.7
227.03383	2.5
227.12904	9.6
228.13586	1.5
235.08128	3.7
253.09235	12.3
255.02957	4.2
275.20209	7.0
284.03241	5.3
291.19620	4.8
293.21228	69.5
294.21469	6.5
309.20755	8.3
408.26779	1.3
445.20630	2.4
463.21936	3.1
515.75049	1.6
679.50562	1.8
739.21106	7.3
739.42737	100.0
740.21265	2.6
740.42908	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01248	5.3
61.98702	32.2
62.98382	0.3
68.20042	0.3
69.03314	0.3
69.96877	1.0
71.01250	2.9
71.04871	0.3
72.76179	0.3
73.02817	0.7
80.02538	0.9
80.38052	0.2
81.03321	1.3
83.01274	0.4
83.04897	4.1
84.02060	0.5
85.02827	0.7
87.00756	0.6
89.02322	2.2
92.10276	0.3
95.01242	0.3
95.04884	0.7
95.87796	0.3
97.02836	0.5
99.00726	0.3
100.09515	0.2
101.02317	2.5
108.84650	0.2
109.06480	0.5
111.08009	0.5
113.02321	1.2
119.03438	0.5
121.10104	0.5
125.05981	0.4
135.08109	0.5
141.01880	0.3
151.93822	0.3
161.04488	1.2
163.11203	3.7
165.12752	1.8
171.10173	2.6
179.05571	0.3
179.14326	0.4
181.12225	0.8
183.13774	0.3
191.10762	0.8
195.13853	4.0
196.14374	0.4
197.11723	0.9
199.13319	0.5
205.12349	0.4
209.11766	100.0
210.12102	6.8
211.13350	3.9
212.13542	0.3
223.13307	3.1
227.12828	11.9
228.13272	1.1
231.21307	0.3
235.08183	3.0
238.08719	0.3
253.09253	14.7
254.09584	0.6
256.13205	0.4
265.21622	0.4
275.20151	6.5
276.20496	0.6
291.19669	0.5
293.21216	64.5
294.21545	6.0
309.20709	1.2
430.21167	0.3
445.20584	0.7
474.20978	0.3
485.32663	0.4
529.29944	0.5
670.35815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42157	0.3
59.01229	0.5
62.49018	0.3
64.96106	0.3
68.68389	0.3
69.09733	0.3
71.01263	0.4
77.48228	0.3
78.77706	0.3
79.99629	0.3
85.00854	0.3
87.00739	0.4
107.81902	0.3
108.02097	0.3
117.03362	0.3
132.02039	0.5
134.03645	4.1
135.03967	0.4
149.06021	0.8
152.01131	0.5
160.01559	1.0
167.03412	0.4
175.03937	1.3
193.05019	4.6
194.05341	0.9
295.02423	0.4
313.03625	0.4
322.51468	0.3
343.08182	0.6
356.97058	0.4
358.99615	0.3
384.96664	0.5
387.65671	0.3
407.82449	0.4
408.91898	0.3
408.96332	1.6
439.01044	0.5
536.99463	0.4
552.99274	0.5
567.96991	1.0
568.98474	0.4
580.97858	1.2
608.97650	1.4
623.00806	0.4
636.97235	0.7
651.99426	3.3
652.99481	0.5
666.00720	1.6
667.01642	2.2
679.98944	12.3
680.98920	2.3
682.04138	2.7
683.04462	0.5
694.00897	2.1
695.01422	1.5
710.03711	11.9
710.16388	0.7
711.04065	2.1
724.05975	0.6
725.06049	4.3
726.06018	0.5
740.08331	100.0
741.08636	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	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98706	100.0
62.98407	0.1
70.92534	0.1
71.01268	0.4
71.53156	0.1
73.47453	0.1
74.88312	0.1
76.07684	0.1
76.12008	0.1
79.00278	0.1
87.00780	0.2
89.02350	0.2
101.02345	0.2
111.08045	0.1
113.02327	0.2
154.44127	0.1
165.13002	0.1
183.13773	0.3
197.11787	0.2
198.12245	0.2
199.13445	0.1
209.11772	0.8
210.12152	0.1
211.13379	2.1
212.13731	0.7
227.13004	0.3
235.08134	0.1
253.09402	0.3
271.02411	0.1
277.21902	0.2
279.23352	0.2
280.23712	0.2
281.24020	0.1
291.19815	0.2
293.21313	0.4
294.21677	0.4
295.22980	0.2
300.02750	0.2
301.00513	0.1
309.20816	0.4
310.21115	0.2
328.82227	0.1
397.13620	0.1
399.14127	0.2
400.13995	0.2
703.28937	0.1
740.42438	0.2
741.19226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81258	0.7
59.01253	35.3
59.61200	0.6
61.98701	8.5
71.01264	6.0
71.54491	1.1
73.02823	3.5
78.95760	2.0
80.96388	2.5
82.95982	0.9
83.01247	0.9
85.02822	2.9
87.00749	8.3
88.98647	0.9
89.02315	1.8
95.01270	1.3
96.95886	7.4
99.00759	1.3
101.02344	3.5
108.02050	1.0
109.02859	0.7
113.02319	2.1
119.03450	0.7
119.04919	1.1
121.02843	1.7
123.04351	0.8
130.99736	1.1
134.03624	6.1
135.04323	1.3
135.08051	2.7
137.02307	2.4
139.03905	0.7
147.04460	3.9
148.05128	0.9
149.02344	0.8
149.06038	2.2
150.06772	6.5
152.01083	1.1
153.09099	0.7
161.04488	0.9
163.03906	2.5
163.07555	100.0
164.04633	0.7
164.07895	5.3
165.04016	0.7
173.04466	1.0
173.05936	0.8
175.03894	1.5
178.02547	0.8
183.13913	0.8
187.03862	0.9
189.05475	1.1
191.03490	1.5
192.04166	1.5
193.04979	7.1
194.05240	0.8
199.86252	0.7
209.11891	1.5
211.13330	1.9
215.06929	0.7
218.02251	0.8
243.10138	0.9
276.03128	0.7
299.02005	0.7
301.92599	0.7
317.21179	3.2
341.23145	0.7
343.08215	1.4
346.21402	0.8
347.22446	0.7
447.13901	0.7
473.32736	36.4
474.33093	8.0
476.31815	1.8
491.33771	68.4
492.34119	12.1
515.33923	0.8
533.34760	7.5
534.35376	1.4
547.34833	1.0
593.37213	0.9
595.38672	1.1
635.37988	3.9
636.38483	0.8
661.50031	0.8
695.40161	14.1
696.40607	3.1
709.31378	0.9
739.30414	5.3
740.32526	1.1
740.45978	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
58.28662	0.2
59.01252	5.5
61.98705	19.3
69.03318	0.3
71.01251	3.4
72.99162	0.3
73.02808	0.7
75.41844	0.2
80.02547	1.0
81.03320	1.0
81.08837	0.2
83.01242	0.5
83.04453	0.4
83.04903	3.9
84.02032	0.7
85.02828	1.0
87.00745	0.6
89.02313	2.0
95.04915	0.6
97.06440	0.3
98.19823	0.4
101.02319	2.6
109.06467	0.4
111.08031	0.4
113.02335	1.6
119.03416	0.4
119.05006	0.2
121.10169	0.3
125.05953	0.3
133.04950	0.3
135.08070	0.4
145.04996	0.4
147.11681	0.3
149.05984	0.2
161.04495	1.1
163.11197	3.5
165.11758	0.2
165.12805	2.0
169.12241	0.4
171.10223	1.3
179.05534	0.5
180.31256	0.2
181.12263	0.4
183.13834	0.7
185.11848	0.5
191.10738	0.7
192.11041	0.3
195.13869	2.5
196.14136	0.3
197.11726	0.5
199.13403	0.4
207.10303	0.4
209.11778	100.0
210.12106	5.8
211.13341	3.1
212.13693	0.3
223.13388	1.8
227.12851	10.0
228.13213	0.8
228.15263	0.2
231.21190	0.4
235.08206	2.4
235.17064	1.0
253.09288	10.8
254.09732	0.6
256.13181	0.4
275.20160	5.3
276.20447	0.4
277.21744	0.4
291.19537	0.3
293.21240	36.4
294.21567	3.0
309.20654	0.7
355.52594	0.3
445.20648	1.1
503.33600	0.3
707.32697	0.3
739.41687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03318	1.7
58.00456	0.7
59.01254	8.8
61.98697	1.6
63.60173	0.6
69.03320	0.7
70.70376	1.3
70.70718	1.1
71.01250	8.7
71.04881	2.6
71.38045	0.6
73.02811	1.3
81.03344	0.6
81.51130	0.6
83.01231	0.6
83.04900	0.9
85.02803	1.8
87.00748	1.6
89.02333	2.9
95.04879	1.1
97.02825	3.2
97.06464	2.2
99.00757	12.2
101.02323	6.0
102.43565	0.6
109.06464	2.2
110.03590	1.1
113.02319	2.1
123.08026	0.7
124.02986	0.6
125.09616	5.6
127.11150	1.1
129.09593	0.6
136.89078	0.6
140.49590	0.6
142.02644	1.1
143.03316	0.7
145.04990	0.7
161.04485	2.0
161.09596	0.9
163.11208	7.2
171.10173	8.0
179.10629	0.7
181.12263	13.4
197.11778	2.1
199.13344	11.8
200.13742	0.7
201.11299	3.3
207.10202	29.5
208.10652	1.1
209.11678	1.4
211.13406	0.8
223.67709	0.6
225.11275	48.8
226.11607	3.1
227.12755	0.8
235.08188	2.7
243.12355	7.4
253.09306	4.4
259.20825	0.7
277.21722	76.4
278.22125	6.7
293.21155	1.8
299.14835	0.8
366.94254	0.6
416.96869	0.7
443.19092	1.7
455.45844	0.6
461.20175	7.9
479.21448	1.2
624.56018	0.6
629.93335	0.6
721.41724	7.6
722.41748	1.6
739.42731	100.0
740.43060	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	739.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	9.0
59.03955	0.5
61.98702	8.9
67.01780	1.0
69.03338	1.0
71.01251	5.3
71.01556	0.5
71.52835	0.8
71.87868	0.6
72.99190	0.9
73.02840	0.9
75.00771	1.4
79.05433	0.5
83.04884	0.8
84.72751	0.5
85.02850	2.5
87.00761	4.0
89.02340	1.0
89.03851	0.8
93.03343	6.8
95.01287	1.1
96.95905	0.8
97.02867	0.7
99.00758	1.5
101.02370	2.3
108.02048	0.9
111.04442	1.2
113.02352	2.6
117.03370	2.7
119.04939	6.4
121.02865	3.5
122.03646	0.8
123.00774	0.8
123.04403	2.1
124.01545	1.1
125.02384	1.2
129.01839	0.6
132.02065	18.7
133.02817	1.2
134.03638	35.3
135.04253	2.2
137.02339	2.8
138.03133	0.8
139.03941	1.0
145.02869	3.1
146.03668	1.0
147.04454	2.7
149.02347	2.2
149.05995	4.9
150.03117	2.5
151.04005	0.9
152.01111	0.8
155.03394	0.8
158.03644	1.5
159.04431	5.4
160.01575	79.0
160.05200	12.7
161.01918	4.6
161.05997	4.7
162.03012	0.6
163.03923	12.3
164.04721	4.0
165.03894	1.3
171.10196	1.2
172.05116	0.6
173.02333	0.9
173.04485	14.4
173.05936	1.4
174.03156	5.0
174.04669	1.1
175.03928	100.0
175.07446	9.0
176.04279	6.3
177.05475	3.3
178.02689	3.4
178.06276	2.6
178.93173	0.5
179.03363	1.5
187.03896	0.8
187.07492	0.6
188.04620	0.9
189.05482	1.9
190.02647	2.6
191.03433	1.8
191.05475	1.5
191.07016	1.1
192.04181	0.6
193.05000	44.0
193.08722	1.3
194.05341	3.5
202.02777	3.0
203.03296	1.3
205.05011	3.2
207.06569	0.7
208.03784	0.8
209.11760	0.7
211.13234	0.8
216.04266	0.6
217.05009	3.8
223.06033	2.1
225.14906	0.9
229.05098	1.3
233.08205	1.0
255.03021	0.7
285.03876	0.7
292.17447	0.7
295.05984	0.6
313.03476	1.2
319.08118	0.9
323.05542	1.1
323.09348	0.8
329.13928	16.5
330.14252	2.2
337.09317	0.8
338.08121	0.7
341.10245	1.3
341.23309	6.1
343.08160	2.3
353.06879	0.6
353.10452	5.1
367.10172	2.0
371.11423	3.1
373.25803	0.8
379.10345	39.8
380.10718	4.4
383.11301	4.0
397.13248	0.8
401.12128	1.0
415.14487	1.7
515.15625	4.3
545.16766	3.8
546.16620	0.8
565.16827	1.0
649.76489	0.6
695.32458	1.0
739.25818	18.2
740.26990	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01252	5.4
59.01545	0.6
61.98702	4.2
69.03313	0.3
71.01263	3.0
73.02824	0.5
75.00763	0.3
79.02022	0.3
79.02477	0.3
80.02544	0.9
81.03337	0.9
83.01293	0.5
83.04903	4.0
84.02043	0.5
85.02821	0.6
87.00759	0.8
89.02316	2.4
94.11868	0.4
95.04932	0.8
97.06520	0.3
101.02315	2.6
113.02323	1.6
119.03414	0.6
125.05979	0.5
135.08041	0.8
161.04466	1.4
163.03983	0.3
163.11240	3.4
165.12737	2.5
165.79402	0.4
171.10150	1.2
179.05502	0.5
181.12277	0.5
183.13849	0.8
191.10730	1.2
195.13834	4.9
196.14516	0.4
197.11896	0.5
202.86365	0.4
209.11775	100.0
210.12135	5.3
211.13321	3.4
223.13330	3.4
227.12842	12.3
228.13354	0.8
235.08237	2.2
235.16994	1.0
253.09271	13.3
253.11905	0.7
254.09631	0.6
275.20145	7.3
276.20486	0.5
291.19629	0.9
293.21228	60.4
294.21545	4.2
309.20737	0.7
445.20758	1.0
454.11163	0.4
544.31110	0.3
683.56934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01247	10.0
61.98705	13.5
69.02224	0.7
69.03335	0.8
69.96358	3.8
71.01256	8.7
71.04885	1.9
73.02811	1.4
83.01279	1.0
85.02818	2.1
87.00725	1.5
89.02328	3.4
94.22583	0.7
95.01267	0.8
95.04876	0.9
97.02825	4.7
97.06436	1.2
99.00759	14.3
101.02332	4.5
109.06449	1.7
110.03625	0.8
111.04341	0.8
113.02332	2.7
119.03396	1.1
123.07981	1.0
125.09639	4.7
127.11201	1.0
135.08055	0.8
143.03412	1.0
161.04436	1.5
161.09636	0.9
163.11191	8.3
171.10179	12.7
172.10640	0.7
179.10678	0.8
181.10794	1.4
181.12276	14.8
189.09145	0.9
197.11754	2.9
199.13342	23.6
200.13550	1.4
201.11244	3.0
207.10217	36.8
207.12210	1.7
208.10501	1.8
209.11742	1.6
223.09457	0.7
225.11288	69.8
226.11626	4.8
227.12968	0.8
235.08197	3.1
243.12372	13.1
253.09367	5.8
277.21735	62.9
278.22046	5.8
384.45447	0.8
443.19016	1.4
461.20313	11.7
462.20691	1.7
479.21466	3.0
721.41663	4.8
722.41602	1.3
739.42761	100.0
740.43103	22.5
740.55988	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	739.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52570	0.9
57.03315	1.9
59.01258	7.0
60.99157	3.5
61.98674	1.8
67.01765	16.2
69.03310	2.8
69.24365	9.2
70.18935	0.9
71.01261	8.2
72.99159	1.4
73.02792	2.4
75.00762	1.3
81.03306	3.2
83.01247	1.1
83.04871	2.6
85.02831	4.8
87.00758	20.5
89.02303	2.1
93.03340	100.0
94.03664	3.2
95.01281	1.2
96.95912	2.5
97.02835	1.3
99.00746	2.7
101.02337	2.3
109.02830	1.7
111.04401	11.2
113.02353	2.1
117.03303	1.9
119.04917	6.6
120.05212	2.1
121.02826	1.5
125.02305	2.1
127.03839	1.2
129.01852	1.6
132.02013	2.2
133.02834	1.5
133.06433	1.6
134.03639	56.6
135.04305	4.6
136.01492	1.3
137.02367	9.1
137.49048	0.9
139.03851	2.3
145.02835	3.6
147.04385	2.9
149.02271	1.0
149.06000	14.9
150.06277	0.9
151.03937	1.9
155.03445	5.6
159.04358	1.5
160.01602	6.1
161.02023	1.2
162.03056	1.8
163.03920	11.5
164.04225	4.5
167.03387	1.0
173.04478	84.6
174.03185	1.5
174.04706	2.8
175.03932	7.3
177.05455	2.4
178.02644	18.5
179.03419	7.8
181.65500	1.0
191.05568	25.2
192.04158	1.7
193.05005	62.2
194.05295	3.4
205.05121	1.0
223.13399	1.2
235.05962	1.0
265.07224	1.8
287.09253	2.4
325.09607	1.5
341.23230	3.8
357.09741	2.0
367.10284	1.6
373.25891	1.5
381.11703	3.9
399.43552	1.2
491.15634	1.4
505.18649	2.6
517.18225	2.8
547.12299	2.0
551.14899	1.3
565.17310	7.3
739.22235	52.8
740.22443	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	739.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	28.4
60.01580	1.4
61.98714	5.0
66.40869	0.4
71.01260	3.7
71.54617	0.5
72.99191	0.5
73.02825	1.0
85.02813	1.1
87.00753	2.5
89.02328	1.2
93.03339	41.8
94.03668	1.4
95.01249	0.6
96.95893	1.5
99.00797	0.4
99.02035	0.4
101.02326	1.5
113.02309	1.8
121.02824	1.0
132.75124	0.4
133.02872	3.0
134.03659	3.5
137.02351	100.0
138.02672	3.6
145.02858	0.5
147.04436	1.5
149.02319	0.6
149.06059	0.8
160.01564	0.7
161.02423	0.5
161.04375	0.5
163.03929	0.8
163.07646	0.6
175.03952	1.1
193.05009	4.2
209.11839	3.7
211.13382	1.1
223.06117	0.8
224.25957	0.4
239.10765	3.3
249.56319	0.4
253.09258	0.4
279.23221	0.9
293.21136	1.3
327.16681	0.4
343.08139	0.5
386.86334	0.4
475.34943	0.5
491.33588	0.8
515.18970	0.7
619.40875	0.5
660.41638	0.7
695.23370	1.3
695.40143	5.0
739.32385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
67.01752	0.3
67.60513	0.2
68.70210	0.2
69.03338	0.3
69.33366	1.2
69.33801	0.8
71.01260	1.1
73.02816	0.5
75.00744	0.2
81.03352	0.8
83.04900	1.7
85.02840	0.5
86.33955	0.2
87.00743	1.1
93.03339	5.6
96.36882	0.2
98.20560	0.5
99.00742	0.3
101.02349	0.3
106.04131	0.6
108.02045	0.3
109.02834	0.5
111.00773	0.3
111.04404	3.5
113.02338	0.4
114.67523	0.2
116.65057	0.3
117.03384	1.2
119.04917	0.3
121.02849	1.3
121.73167	0.2
123.04409	0.2
129.01830	0.4
132.02040	0.6
133.02856	1.8
134.03636	52.7
135.04263	1.8
136.01569	1.1
137.02354	7.5
138.02687	0.4
139.03928	2.5
145.02881	0.5
147.04430	0.3
149.02336	0.5
149.05991	17.1
150.03136	0.8
150.06305	1.0
151.03877	1.1
154.20316	0.2
155.03415	4.3
160.01547	2.0
161.02298	0.5
162.03110	1.2
163.03874	0.3
165.01846	0.3
173.04478	18.7
174.04779	1.0
175.03934	2.1
176.04237	0.3
177.01855	0.2
177.05511	1.0
177.15205	0.2
178.02641	29.8
179.03322	3.3
191.05582	0.4
192.04190	1.2
193.04997	100.0
194.05339	5.8
207.06577	1.5
223.06154	0.3
267.06653	0.4
269.04529	0.5
284.06845	0.3
296.06915	0.3
299.09351	0.4
311.09241	0.5
343.08215	0.3
371.11389	3.4
375.54916	0.2
475.17673	0.5
491.28680	0.5
502.16629	0.3
505.18866	3.1
506.19144	0.7
517.18671	5.2
518.19086	0.5
565.17145	25.7
566.17572	4.3
596.18921	0.3
625.37347	0.3
739.22223	2.8
740.22607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.2
59.01252	100.0
60.01589	1.0
61.98703	3.1
69.03343	0.2
71.01260	8.7
72.99198	0.6
73.02819	9.1
75.00730	0.2
80.96372	0.3
83.01262	3.0
85.02831	1.5
87.00756	2.7
89.02322	2.4
93.03362	0.2
95.01282	0.4
96.95920	0.6
97.02859	0.2
99.00783	0.4
101.02327	12.4
102.02658	0.4
102.09888	0.2
111.00855	0.2
113.02338	4.7
113.03063	0.4
114.02754	0.2
117.03357	0.2
119.03405	1.9
119.04936	0.6
121.02881	0.4
125.02352	0.4
130.99741	0.2
131.03381	1.1
134.03687	0.6
135.04422	0.6
137.02397	0.7
138.33971	0.2
143.03404	1.7
143.93069	0.2
145.01492	0.2
146.03700	0.2
147.04442	1.3
149.04468	3.1
149.05742	0.3
155.03357	0.3
158.03738	0.2
161.02403	0.3
161.04468	5.3
163.03947	0.5
175.03944	0.3
179.05569	0.4
188.04839	0.2
191.03484	0.2
193.05058	0.6
203.05682	0.6
209.11865	1.2
211.13330	0.3
211.69992	0.2
221.06604	2.7
291.19446	0.3
297.73047	0.2
343.08401	0.4
371.06161	0.3
379.50784	0.2
437.34229	11.3
438.34552	1.9
519.59644	0.2
599.39886	0.3
617.40961	0.5
659.41913	0.9
677.42719	1.7
678.43915	0.3
737.44989	4.1
738.46008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21952	0.1
57.41671	0.1
59.01241	0.5
61.98703	100.0
62.98407	0.2
62.99133	0.1
71.01266	0.2
72.22903	0.1
89.02329	0.2
99.47499	0.1
101.02338	0.2
102.02629	0.1
146.69684	0.1
148.41550	0.1
161.04463	0.1
196.73280	0.1
207.10254	0.1
209.11784	0.1
211.13403	0.3
212.13734	0.1
225.11285	0.2
227.12886	0.2
264.16422	0.1
277.21857	0.3
278.22177	0.2
279.22205	0.2
289.18097	0.1
290.18387	0.1
293.21246	0.2
398.13788	0.2
399.13931	0.3
400.14420	0.2
417.15103	0.2
418.15448	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
61.98703	100.0
62.98409	0.2
62.99119	0.1
69.41180	0.8
71.01264	0.3
80.02586	0.1
87.00797	0.1
89.02323	0.2
90.87947	0.1
101.02314	0.2
113.02323	0.2
116.48589	0.1
163.11153	0.1
209.11774	3.0
227.12939	0.3
235.08208	0.2
244.43982	0.1
253.09424	0.3
275.20172	0.2
277.21869	0.3
278.22183	0.3
279.22598	0.2
293.21265	1.5
323.11368	0.1
387.88126	0.1
393.47009	0.1
397.13794	0.2
398.14005	0.2
399.14066	0.3
400.14496	0.1
415.14832	0.1
417.14810	0.1
418.15411	0.1
545.22589	0.1
597.35370	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2094
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
59.01264	1.1
69.47159	5.6
80.70258	0.6
91.01774	3.0
99.00729	1.0
115.69700	0.7
135.00769	7.3
148.01541	1.6
153.01842	5.2
161.04762	0.6
161.50398	0.6
163.00249	3.1
171.04436	1.0
173.34807	0.8
183.04454	7.4
198.60062	0.7
199.03918	6.4
200.04526	0.9
209.56758	0.8
210.03220	0.8
211.03987	5.7
226.02676	5.2
227.03448	30.6
228.03905	3.2
239.03369	5.5
241.01358	1.4
241.05028	4.8
254.02185	2.7
255.02969	60.1
256.03436	5.4
269.04590	5.1
270.02029	1.2
270.05319	8.1
271.02518	2.3
271.05865	2.0
283.02481	50.0
284.03229	22.4
285.03644	1.6
297.04141	3.2
298.04822	45.8
299.01944	5.2
299.05472	27.9
300.02661	1.8
300.05920	2.5
301.03751	0.9
315.17145	0.7
341.06659	1.3
607.16583	0.9
739.20911	100.0
740.21222	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	739.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01250	2.6
59.47590	0.2
60.99163	0.7
61.98690	0.3
65.03835	0.3
67.01757	5.5
69.03324	0.9
69.50485	0.7
69.50911	0.9
71.01254	4.5
72.99187	0.3
73.02799	0.5
75.00739	0.2
78.85455	0.2
79.92022	0.2
81.03334	1.3
83.01271	0.2
83.04873	1.0
84.76255	0.2
85.02821	1.0
87.00759	1.4
89.02322	0.2
89.03814	0.3
89.65475	0.2
93.03335	34.8
94.03682	0.9
95.01260	0.3
96.95885	1.3
97.02838	0.3
97.94939	0.2
98.20528	0.4
99.00777	0.4
99.04388	0.5
101.02304	0.3
104.89352	0.2
106.04124	0.4
108.02058	0.5
109.02849	1.4
111.00762	1.0
111.04397	5.2
113.02338	0.6
117.03358	0.5
119.04934	0.6
121.02830	2.4
125.02324	0.3
127.03902	0.3
129.01816	0.2
132.02066	0.7
133.02904	1.2
134.03630	20.5
135.04024	0.9
137.02344	7.3
139.03911	0.9
142.52657	0.2
145.02789	0.2
147.04446	0.5
149.02399	0.3
149.05983	5.2
150.03166	0.5
151.03935	0.3
155.03410	5.3
160.01581	3.2
161.02318	0.5
161.05923	0.2
162.03230	0.3
163.03925	1.4
164.04301	0.5
167.03404	0.4
171.10176	0.3
173.04468	100.0
174.03297	0.4
174.04796	3.1
175.03915	3.3
177.01851	0.3
178.02638	10.0
179.03352	1.3
191.05484	1.0
192.04259	0.4
193.04990	34.2
194.05295	1.7
200.53116	0.2
201.11284	0.3
203.03404	0.3
207.06645	0.4
209.11736	0.5
216.07144	0.2
252.82123	0.2
341.23370	0.7
343.08185	0.4
364.07770	0.3
371.11072	1.0
379.10208	1.1
416.91196	0.3
492.15930	0.2
565.17133	8.2
566.17480	1.5
707.35010	0.3
717.98938	0.3
739.21521	2.7
740.21649	0.5
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
55.01757	0.6
55.68536	0.5
57.03312	1.0
59.01250	6.9
61.98708	3.1
69.03331	4.8
69.97549	1.9
71.01250	5.4
71.04883	1.6
73.02818	1.1
79.69737	0.4
83.01256	0.8
83.04903	0.7
84.99272	0.5
85.02815	1.7
87.00768	1.1
89.02320	2.7
95.01283	0.6
97.02796	0.9
97.06481	0.8
99.00738	0.7
101.02319	4.6
106.48410	0.4
111.04355	0.4
113.02315	1.9
119.03364	0.7
123.08077	1.0
125.09604	2.0
139.98753	0.4
142.94853	0.5
145.04984	0.6
151.11179	2.6
153.12770	1.4
161.04462	1.2
161.09628	5.9
169.12285	1.2
179.10692	8.1
197.11765	46.8
198.12065	3.1
207.10196	0.5
223.09691	1.4
225.11137	0.6
233.22594	0.5
235.08185	1.0
241.10803	2.4
253.09412	2.8
259.20624	0.6
277.21713	61.6
278.22076	5.8
389.57678	0.5
459.19360	1.0
477.19717	1.4
737.41162	100.0
738.41522	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34360	0.4
57.03322	1.2
59.01252	6.6
61.98700	4.6
69.03329	3.5
71.01247	5.9
71.04891	1.8
73.02822	1.5
83.04916	0.7
85.02836	1.7
87.00755	1.4
89.02321	2.6
95.01266	0.5
97.02853	0.6
97.06446	0.8
98.20589	0.9
99.00755	0.7
100.85236	0.4
101.02312	3.4
109.06477	0.5
111.04370	0.4
113.02315	2.6
119.03394	0.6
123.08037	1.1
125.09621	1.3
151.11182	2.2
153.12717	2.3
157.92621	0.4
161.04543	1.0
161.09669	2.7
169.12271	11.4
170.12575	0.5
171.10229	0.5
179.10698	5.5
180.11089	0.4
195.10150	0.6
197.11769	94.4
198.12096	6.0
205.08644	0.9
207.10304	0.8
210.09232	0.5
223.09666	2.1
225.11334	0.7
235.08134	1.0
241.10762	3.7
253.09290	4.8
255.91174	0.5
277.21729	36.1
278.22098	3.4
293.21103	0.5
330.98157	0.4
433.20688	0.4
459.18832	1.0
477.19754	1.8
478.20215	0.5
737.41168	100.0
738.41510	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01250	2.6
69.24009	0.6
69.24432	0.9
71.01254	1.9
72.99164	0.3
73.02818	0.7
78.48289	0.2
85.02821	0.7
87.00756	0.5
89.02337	0.9
89.03843	1.8
95.01263	0.3
99.00755	1.8
101.02329	0.8
106.04155	0.3
109.02918	0.2
113.02363	1.3
113.59020	0.1
117.03345	4.5
118.03666	0.2
119.03339	0.2
119.04909	0.3
121.02859	0.2
123.04393	0.2
127.43371	0.2
131.03326	0.2
132.02075	2.9
134.03632	79.8
135.03941	2.7
137.02344	0.5
139.03877	0.2
147.04430	0.4
149.05988	7.4
150.06371	0.3
152.41696	0.2
154.26320	0.2
160.01573	10.1
161.01953	0.5
161.04414	0.3
163.03864	0.3
165.05437	0.2
168.82497	0.2
173.06129	0.1
175.03925	10.8
176.04289	0.4
177.05444	0.2
178.02652	1.0
189.12686	0.3
191.05522	0.4
193.04990	100.0
194.05322	5.6
197.11734	0.2
201.11230	0.4
209.11819	0.1
235.05965	0.2
267.08871	0.8
276.73438	0.2
353.10251	0.4
454.30746	0.2
501.23352	1.2
519.24103	0.2
621.50751	0.2
677.27759	0.7
695.29150	4.3
696.29272	1.1
737.30054	3.2
738.30402	0.7
760.54163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07944	0.4
59.01253	8.1
59.21069	0.4
61.98701	7.5
62.90032	0.4
63.32051	0.4
63.96114	1.6
67.92353	0.4
69.03329	0.9
71.01256	9.8
71.22445	0.4
71.54626	0.5
72.99173	0.7
73.02811	3.3
75.00755	0.5
78.95783	0.5
78.98469	7.1
79.95603	14.0
80.50764	0.4
80.96391	80.9
81.03330	1.1
83.01246	1.1
85.02827	3.4
85.85925	0.4
87.00755	6.9
90.83764	0.4
94.97966	19.2
95.01296	0.7
96.95891	11.5
97.02814	2.4
99.00738	1.2
101.02328	4.6
106.97983	3.4
108.02079	0.6
113.02333	1.3
119.04914	0.6
121.02824	1.5
122.97450	3.6
125.02357	4.1
125.09620	0.5
127.03889	1.0
130.99796	0.7
134.03674	1.2
134.97467	6.2
136.99016	2.4
137.02365	1.2
147.04474	2.7
147.05435	0.6
148.04953	0.5
148.99051	7.0
152.98534	7.0
159.04297	0.5
163.03920	1.2
164.98541	14.2
165.12775	0.9
173.06117	0.7
175.03889	0.6
179.03528	0.5
183.13838	7.4
184.14276	0.6
191.03435	0.7
192.04124	0.8
193.05022	1.7
201.05669	0.5
206.99687	2.7
209.11778	1.7
211.13293	1.0
225.00706	24.2
227.12869	0.9
283.05951	1.0
289.17880	0.5
297.15039	0.6
306.32104	0.4
343.08420	1.2
509.17041	3.6
520.09204	0.5
577.36896	0.5
623.78583	0.5
693.42157	2.6
737.30597	100.0
738.30627	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78839	1.5
57.03324	8.5
59.01251	100.0
60.01569	2.4
61.98698	7.9
71.01257	19.3
71.54395	1.8
72.99214	2.0
73.02834	10.2
74.03160	1.5
75.00775	2.4
80.96398	2.5
83.01245	1.7
83.04903	3.1
85.02834	8.7
87.00746	18.2
89.02319	5.5
95.01245	2.0
95.04939	1.6
96.95874	2.8
97.06484	3.5
99.00773	5.6
101.02328	16.9
107.04911	11.9
109.02848	2.9
111.00748	2.3
113.02332	9.1
117.03338	3.0
119.04931	6.1
120.05713	4.5
121.02833	4.9
125.02309	3.4
125.50990	1.4
127.89876	1.6
130.35181	1.4
130.47707	1.4
131.01227	1.6
132.02095	3.0
134.03616	18.3
135.04425	5.8
135.11554	1.9
137.02335	7.0
143.03400	2.1
145.02811	1.5
147.04443	7.0
148.05212	3.0
149.02362	3.8
149.05992	8.0
152.04741	3.3
157.06488	2.4
159.02884	1.9
159.08104	1.6
160.01550	8.3
161.02310	4.4
161.04434	9.5
161.09653	19.2
161.13271	13.5
163.03874	8.7
163.11244	9.2
169.12209	1.6
173.05855	1.7
175.00302	2.3
175.03922	11.9
176.01033	6.0
178.02762	1.6
179.10727	1.9
187.11212	28.8
188.11591	3.9
189.01898	11.4
189.09117	9.6
191.03441	3.7
192.04153	2.0
193.04977	22.5
194.05380	2.1
201.05507	2.9
202.99699	1.9
203.07028	2.0
205.12263	18.4
207.10179	15.9
209.11758	22.3
223.03926	2.2
223.06064	2.2
223.13364	38.0
224.13640	2.5
227.12721	3.3
233.08038	1.7
237.04033	1.8
249.11307	26.4
251.03485	5.0
252.04236	17.8
253.04848	2.0
267.06592	26.1
267.12366	23.1
268.07010	2.2
268.12845	1.9
269.10236	9.7
283.06116	3.3
313.03729	1.8
313.07281	2.0
325.03558	2.0
341.17340	1.7
345.14551	1.8
383.13550	4.1
401.14465	20.4
402.15076	2.6
423.10846	22.0
424.11237	3.0
443.15530	23.2
444.16031	3.6
455.19147	1.6
469.13632	5.3
494.16159	1.7
651.26764	3.6
651.39264	2.7
693.27606	66.8
694.27966	11.5
737.30756	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	737.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56461	0.2
57.03308	0.3
59.01249	4.7
61.98714	0.4
69.21210	2.0
71.01254	2.0
72.99175	0.4
73.02826	0.7
75.00797	0.2
83.01246	0.4
83.86210	0.2
85.02829	0.8
87.00758	1.9
89.02322	1.1
89.03845	1.6
95.01257	0.3
96.95921	0.3
98.20518	0.4
99.00768	1.2
101.02325	1.2
101.43580	0.2
108.02119	0.2
113.02297	1.4
117.03346	5.5
118.03677	0.2
119.04912	0.4
119.90796	0.2
121.02856	0.4
125.02314	0.2
128.78067	0.2
131.03339	0.2
132.02054	2.8
133.02895	0.3
134.03632	78.2
135.03955	3.0
137.02330	0.7
139.03900	0.3
143.03378	0.3
147.04419	0.4
149.02341	0.6
149.04674	0.3
149.05983	6.3
150.03122	0.3
150.06320	0.3
160.01575	9.0
161.02008	0.6
161.04556	0.3
163.03896	0.4
163.11243	0.4
165.05482	0.4
175.03935	10.5
176.04254	0.4
177.01860	0.2
178.02602	1.9
179.03093	0.3
191.03456	0.3
191.05414	0.3
193.04994	100.0
194.05327	5.1
330.13080	0.2
343.08408	0.2
397.12897	0.2
423.10486	0.3
501.23392	1.5
503.20105	0.2
543.23553	0.2
561.25360	0.6
650.91040	0.2
695.29114	0.9
737.30273	2.8
738.30554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.2
57.03326	6.5
59.01252	95.8
69.52603	9.2
71.01249	12.8
71.04896	2.6
73.02817	6.8
83.01283	1.9
83.04914	3.0
85.02831	5.5
87.00748	8.2
94.57536	1.3
95.04925	1.3
97.06484	2.1
99.00774	4.2
101.02334	11.2
107.04906	6.6
113.02295	6.9
120.05695	5.0
132.02060	16.9
133.02525	1.2
134.03627	18.1
135.04474	2.2
136.01556	25.9
141.05418	1.5
145.73949	1.4
147.04401	1.9
149.05980	4.7
151.03903	24.8
152.04637	1.4
159.02931	1.6
160.01566	69.4
161.01913	4.2
161.04509	7.6
161.09650	16.5
161.13251	9.3
163.03932	1.7
163.11240	7.9
175.03923	100.0
176.04303	5.4
187.11215	21.6
188.11650	1.6
189.01918	1.4
189.09218	6.9
191.03357	2.0
193.05009	26.2
194.05449	1.7
202.02620	2.4
203.10690	2.0
205.12288	15.4
207.10197	13.8
217.05009	1.5
223.13339	36.4
224.13599	2.9
233.92172	1.5
249.11295	18.2
250.11606	2.0
267.12396	15.9
269.10373	9.9
342.07413	3.2
342.11230	1.9
357.09589	3.2
357.13477	7.7
379.05420	2.3
379.10321	41.8
380.10681	4.5
383.13403	1.8
401.14407	7.5
423.10321	2.0
443.15601	49.8
443.21692	2.7
444.15814	9.1
456.12497	1.5
675.27039	1.9
680.70984	1.6
693.27612	60.7
694.28247	13.0
737.24579	11.1
738.24420	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80967	0.1
59.01250	3.7
59.38005	0.1
69.39739	0.8
69.40172	0.5
69.71385	0.2
71.01255	1.5
72.99192	0.3
73.02824	0.9
83.01241	0.3
85.02834	0.6
87.00739	0.3
87.66261	0.2
89.02322	1.1
89.03829	1.5
93.03336	0.2
99.00759	2.2
101.02322	0.8
106.04148	0.3
109.02808	0.3
113.02322	1.4
117.03343	4.8
119.03397	0.2
121.02866	0.2
125.02340	0.3
131.03302	0.1
132.02074	1.8
133.02829	0.1
134.03632	73.4
135.03955	2.6
137.02332	0.6
139.03914	0.2
143.03391	0.2
147.04427	0.2
149.02321	0.1
149.04655	0.3
149.05983	6.4
150.03183	0.2
150.06325	0.2
160.01576	7.5
161.01978	0.3
161.04453	0.2
165.05328	0.2
175.03925	10.8
176.04274	0.5
178.02628	2.4
180.40002	0.1
189.12700	0.3
191.05498	0.2
193.04991	100.0
194.05328	4.9
318.58115	0.2
353.10114	0.3
362.62109	0.1
383.75348	0.2
429.20737	0.2
451.54626	0.2
501.23541	1.9
502.23877	0.3
543.24359	0.9
561.25397	0.6
715.12860	0.2
737.30591	2.7
738.30457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72190	0.5
57.03362	1.1
59.01252	13.0
61.98706	3.3
71.01257	5.1
72.99223	0.6
73.02859	1.3
75.00765	0.8
80.96413	0.5
83.01279	0.7
83.04932	1.0
85.02841	2.1
85.77016	0.4
87.00756	5.0
87.01176	0.5
89.02333	2.4
89.03881	0.5
91.01832	0.5
92.56866	0.4
93.03328	0.7
95.01307	0.6
96.95905	0.4
97.02867	0.6
97.06461	0.5
98.94728	0.4
99.00794	1.7
101.02313	2.7
107.04909	2.5
111.00840	0.6
113.02400	1.6
117.03358	2.0
119.04921	5.2
121.02869	2.6
123.04516	0.4
125.02370	1.7
130.99759	0.9
131.01393	0.5
132.02068	7.3
133.02892	0.6
134.03638	15.2
134.04637	0.9
135.00873	0.6
135.04451	0.6
137.02377	1.9
145.02898	1.7
145.62737	0.4
146.03539	0.4
147.04399	3.0
148.05161	0.6
149.02408	1.6
149.04581	0.9
149.06001	2.9
153.01857	0.4
159.08081	0.5
160.01576	17.4
161.02292	1.8
161.04489	1.1
161.05899	0.4
161.09650	2.2
161.13297	1.2
163.03931	9.2
163.11288	0.6
165.05542	0.5
173.05994	0.7
175.00359	1.2
175.03925	31.4
176.01105	1.5
176.04286	1.5
177.01848	0.6
178.02649	1.4
183.13846	1.7
184.14111	0.7
185.06065	0.5
187.03893	0.5
187.11227	2.6
189.01860	3.9
189.09164	1.3
191.03432	1.5
191.05458	0.6
193.04997	22.7
194.05379	1.8
195.02939	0.4
195.04387	2.4
201.09367	0.5
202.99838	0.5
203.10641	0.5
205.12259	2.4
207.10240	1.3
208.05266	1.9
209.11806	6.4
217.04874	1.0
223.03970	8.1
223.06018	0.5
223.13361	3.5
224.04718	3.0
227.12805	2.5
228.13069	0.8
229.08614	0.5
249.11353	2.5
251.03470	7.2
252.04262	76.2
253.04633	6.8
259.06085	2.1
267.06616	100.0
268.06952	8.5
269.10342	0.6
279.02985	0.9
279.23505	0.4
301.07138	0.4
325.03488	0.6
343.08118	0.7
383.13467	1.1
401.14270	2.8
423.10828	6.8
424.10895	1.2
443.15448	0.6
469.13510	15.8
470.14093	2.0
561.23480	0.6
633.38458	0.7
651.26038	0.7
693.27405	5.5
694.27692	1.4
706.74902	0.6
737.30994	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	737.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03312	5.8
59.01252	100.0
60.01574	0.7
61.98707	4.2
67.33177	0.7
69.51945	1.3
69.52357	3.8
71.01254	12.8
71.04910	0.8
72.99184	0.7
73.02821	7.6
83.01276	1.3
83.04916	3.0
85.02821	7.0
87.00754	9.5
89.02333	2.9
93.03333	1.4
94.03691	0.8
95.01276	2.0
97.06487	2.4
99.00775	3.6
101.02325	11.7
107.04902	7.6
108.05194	0.7
111.00755	1.0
112.01600	1.0
113.02321	7.0
117.03383	0.8
119.04945	1.0
120.05721	2.2
121.02901	2.0
125.02365	1.3
129.01929	0.8
130.99741	0.9
131.03450	0.8
134.03642	6.0
135.04420	3.5
135.11717	1.1
137.02335	1.5
143.03436	0.8
145.06554	0.9
145.10197	1.0
146.03595	1.0
147.04465	2.7
149.06012	2.1
152.04712	0.8
157.06567	1.0
159.02924	1.2
160.01593	2.9
161.04456	7.8
161.09641	14.4
161.13271	9.2
162.13681	0.8
163.03915	1.8
163.11188	8.6
165.03969	1.1
169.12262	2.3
171.10286	0.8
175.00224	1.0
175.03960	2.2
176.01071	1.6
178.02716	0.7
179.10728	1.0
187.11212	19.0
187.12851	1.2
189.01927	2.2
189.09138	8.8
192.04193	0.8
193.04994	6.2
204.00679	0.8
205.12271	15.5
206.12733	1.0
207.10202	12.5
207.11971	1.2
208.10663	0.9
209.11787	5.9
223.06149	0.9
223.13351	37.8
224.13713	2.7
227.12758	1.0
231.10309	1.0
249.11290	18.3
250.11681	1.7
251.09291	1.1
252.04277	1.2
263.94186	0.8
267.06628	1.4
267.12402	18.7
268.12872	1.4
269.10315	8.8
272.88123	0.7
283.06116	1.0
311.11588	1.5
316.30981	0.8
323.04495	0.8
325.03305	0.9
383.13696	2.3
401.14526	10.7
402.14999	0.9
408.90250	0.8
423.10861	4.8
443.15555	39.1
444.15952	5.4
651.26953	2.6
675.27246	1.6
693.27618	58.8
694.27905	13.1
694.38757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81305	0.8
55.01761	1.2
56.23598	0.8
57.03328	6.4
59.01252	100.0
60.01582	1.1
60.99180	1.0
69.24229	7.5
71.01253	11.9
71.04899	1.4
72.99184	1.2
73.02818	7.7
83.01262	2.1
83.04921	2.7
85.02819	5.6
87.00741	8.0
89.02354	2.4
93.03328	1.3
95.04917	1.4
97.02844	2.0
97.06487	2.6
98.20611	1.7
98.83270	0.7
99.00750	3.7
101.02329	10.7
104.00374	0.8
107.04918	10.1
113.02321	6.7
117.03375	0.8
119.04932	1.8
120.05711	2.4
121.02847	1.3
125.02372	1.1
132.02095	1.3
134.03629	6.3
135.04434	3.0
137.02342	1.2
141.05507	1.4
143.03407	1.6
145.02840	1.6
145.10133	1.2
147.04509	1.0
149.06017	1.9
152.04745	1.6
159.02948	1.3
159.08047	1.4
160.01596	3.4
161.02417	1.7
161.04463	6.5
161.09628	17.1
161.13243	9.3
162.04849	0.8
163.03923	3.2
163.11189	9.1
175.00330	1.1
175.03979	4.3
176.01077	1.7
179.10739	1.9
179.43837	0.8
187.11206	24.2
187.17769	0.7
188.11543	1.0
188.55682	0.7
189.01944	1.9
189.09140	8.4
193.05011	6.8
198.92828	1.0
203.10785	1.6
205.12273	15.6
206.12596	1.0
207.10217	13.6
223.13342	41.7
224.13757	3.5
231.10245	1.3
249.11299	21.5
249.13744	1.4
250.11638	1.8
267.12390	16.1
269.10330	9.0
308.04083	0.7
311.11371	1.6
342.21695	0.7
379.10492	1.3
383.13663	1.6
401.14368	7.8
401.18521	0.7
423.10904	5.4
425.14621	1.4
443.15570	48.5
444.15814	5.6
561.24072	0.8
651.26611	1.0
675.26337	1.4
693.27588	51.4
694.27954	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	737.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72190	0.5
57.03362	1.1
59.01252	13.0
61.98706	3.3
71.01257	5.1
72.99223	0.6
73.02859	1.3
75.00765	0.8
80.96413	0.5
83.01279	0.7
83.04932	1.0
85.02841	2.1
85.77016	0.4
87.00756	5.0
87.01176	0.5
89.02333	2.4
89.03881	0.5
91.01832	0.5
92.56866	0.4
93.03328	0.7
95.01307	0.6
96.95905	0.4
97.02867	0.6
97.06461	0.5
98.94728	0.4
99.00794	1.7
101.02313	2.7
107.04909	2.5
111.00840	0.6
113.02400	1.6
117.03358	2.0
119.04921	5.2
121.02869	2.6
123.04516	0.4
125.02370	1.7
130.99759	0.9
131.01393	0.5
132.02068	7.3
133.02892	0.6
134.03638	15.2
134.04637	0.9
135.00873	0.6
135.04451	0.6
137.02377	1.9
145.02898	1.7
145.62737	0.4
146.03539	0.4
147.04399	3.0
148.05161	0.6
149.02408	1.6
149.04581	0.9
149.06001	2.9
153.01857	0.4
159.08081	0.5
160.01576	17.4
161.02292	1.8
161.04489	1.1
161.05899	0.4
161.09650	2.2
161.13297	1.2
163.03931	9.2
163.11288	0.6
165.05542	0.5
173.05994	0.7
175.00359	1.2
175.03925	31.4
176.01105	1.5
176.04286	1.5
177.01848	0.6
178.02649	1.4
183.13846	1.7
184.14111	0.7
185.06065	0.5
187.03893	0.5
187.11227	2.6
189.01860	3.9
189.09164	1.3
191.03432	1.5
191.05458	0.6
193.04997	22.7
194.05379	1.8
195.02939	0.4
195.04387	2.4
201.09367	0.5
202.99838	0.5
203.10641	0.5
205.12259	2.4
207.10240	1.3
208.05266	1.9
209.11806	6.4
217.04874	1.0
223.03970	8.1
223.06018	0.5
223.13361	3.5
224.04718	3.0
227.12805	2.5
228.13069	0.8
229.08614	0.5
249.11353	2.5
251.03470	7.2
252.04262	76.2
253.04633	6.8
259.06085	2.1
267.06616	100.0
268.06952	8.5
269.10342	0.6
279.02985	0.9
279.23505	0.4
301.07138	0.4
325.03488	0.6
343.08118	0.7
383.13467	1.1
401.14270	2.8
423.10828	6.8
424.10895	1.2
443.15448	0.6
469.13510	15.8
470.14093	2.0
561.23480	0.6
633.38458	0.7
651.26038	0.7
693.27405	5.5
694.27692	1.4
706.74902	0.6
737.30994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03322	0.7
59.01250	5.6
61.98721	0.3
68.83241	0.2
69.03333	2.3
70.54684	0.4
70.55025	0.2
71.01254	4.3
71.01620	0.4
71.04903	0.8
72.99187	0.3
73.02829	0.9
82.63078	0.2
83.01252	0.4
83.04882	0.5
83.87287	0.2
85.02829	1.2
85.06468	0.5
87.00764	0.8
89.02325	2.6
90.59419	0.2
91.57354	0.2
93.03347	0.4
95.01256	0.3
95.04881	0.6
95.75543	0.2
97.02781	0.3
97.06467	0.3
99.00766	0.3
101.02322	3.2
109.06447	0.4
111.08031	0.3
113.02343	1.7
113.09627	0.3
119.03387	0.9
122.26807	0.2
125.09632	0.5
132.27377	0.2
135.11697	0.3
135.12755	0.2
137.09616	0.2
141.09096	0.5
143.65962	0.2
145.04924	0.3
148.37582	0.2
149.09612	0.6
153.09123	0.2
161.04482	2.0
167.10695	2.8
168.86870	0.3
177.12775	1.0
179.05505	0.6
179.10666	1.3
179.14334	3.5
180.14670	0.3
180.35350	0.2
193.12123	0.2
195.13841	16.2
196.14229	1.2
205.12282	9.7
205.15839	0.3
206.12596	0.9
211.13356	0.6
223.13348	100.0
224.13681	6.5
225.14839	0.6
228.13562	0.4
231.21143	0.4
235.08215	3.3
236.08614	0.2
249.22252	0.2
253.09268	16.6
254.09561	0.6
256.13144	0.9
265.21597	0.3
275.20160	6.1
276.20554	0.7
289.25369	0.2
293.21222	79.8
294.21570	8.2
441.21420	0.4
459.22351	10.1
460.22635	1.2
492.21780	0.6
499.34396	0.7
502.38943	0.2
529.29944	0.7
698.35309	0.3
735.43481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.6
59.01254	100.0
60.01579	1.4
61.98708	16.4
65.86327	0.7
71.01255	13.6
71.53738	0.6
72.99191	1.1
73.02818	8.1
81.03320	0.6
83.01266	2.8
85.02830	3.2
87.00746	4.0
89.02321	4.5
98.70042	0.6
99.00772	0.9
101.02328	9.9
113.02335	5.7
119.03401	1.9
130.99782	0.9
134.03619	0.8
135.04446	0.8
143.03403	1.0
147.04448	1.3
149.04514	1.8
154.31010	0.6
161.04469	3.4
171.10193	0.6
173.05988	0.6
179.05479	0.9
187.07573	0.8
191.03368	0.8
191.05577	0.8
193.04935	0.9
207.03082	0.7
209.11874	2.1
211.13416	1.8
215.07098	0.8
221.06694	1.0
223.17915	0.5
225.11415	0.9
291.19852	1.0
334.55759	0.6
370.43390	0.6
435.32672	4.6
436.33542	0.6
597.37854	9.3
598.38855	1.7
615.39221	2.4
657.40143	7.5
657.49786	0.5
658.40771	2.4
675.41473	1.5
735.38770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59982	0.3
59.01257	3.9
59.54310	0.3
61.98709	0.8
66.91030	0.4
69.68720	1.6
71.01260	1.6
72.99184	0.5
73.02820	1.6
85.02824	1.2
87.00741	2.6
89.02319	1.5
93.03340	3.0
94.56341	0.3
98.20562	0.5
99.00768	2.8
101.02310	1.3
111.04436	0.5
113.02328	1.3
117.03352	6.6
119.04917	50.0
120.05206	2.1
121.02829	0.6
125.02373	0.6
134.03607	2.7
135.04482	0.5
137.02342	0.8
143.03503	0.4
145.01677	0.7
145.02853	15.5
146.03236	0.8
147.04431	1.1
148.05206	0.4
149.04449	0.5
149.05884	0.5
155.03470	0.4
160.01575	1.0
163.03922	100.0
164.04254	4.3
165.05513	0.5
173.04482	0.9
174.04727	0.4
175.03946	1.2
187.07455	0.4
189.45198	0.4
191.05562	0.9
193.04977	3.2
203.03606	0.5
203.05432	0.5
209.11890	0.5
219.02998	0.4
288.29501	0.3
313.03476	0.8
323.78918	0.4
337.09265	0.4
343.08224	1.2
360.78918	0.4
485.23935	0.5
499.60214	0.4
545.26099	0.5
561.23413	1.1
565.27557	0.4
691.28687	7.2
692.30096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01250	5.4
61.98695	1.5
67.01772	0.6
71.01248	2.6
71.54376	0.7
73.02812	1.7
85.02823	1.2
87.00767	3.2
89.02303	1.6
93.03342	5.9
97.02876	0.7
99.00761	2.4
101.02317	1.4
104.02163	0.7
113.02338	1.9
117.03341	7.0
119.04920	52.3
120.05237	2.0
121.02840	0.8
123.65664	0.5
130.69772	0.5
132.02028	0.9
134.03598	3.8
134.27528	0.6
135.04442	0.7
137.02341	1.7
145.02863	19.2
146.03224	0.7
149.06044	1.2
149.44553	0.6
155.23955	0.7
160.01561	1.7
161.02179	0.8
163.03923	100.0
164.04286	4.0
171.04163	0.9
173.04552	1.6
175.03949	2.5
191.03598	0.9
191.05545	1.2
193.05067	3.3
195.29303	0.7
201.09036	0.7
209.04459	0.7
209.11732	1.1
235.06126	0.7
243.10284	0.7
313.03519	1.1
343.08276	1.4
369.17090	0.9
508.47583	0.7
517.29883	0.7
561.23499	1.0
618.03650	0.6
691.30121	5.4
692.28589	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	735.4322
Annotation	Nonactin
Peak:m/z	Relative Intensity
59.01252	18.8
61.98697	3.6
62.18277	1.9
71.01237	9.2
71.08154	1.9
72.79686	2.3
89.02319	3.5
98.19737	4.2
101.02327	3.1
106.04109	2.3
113.02338	2.7
129.29366	2.0
131.40514	1.9
132.03561	2.1
136.32245	2.1
166.67798	2.2
171.10005	1.9
177.12787	9.0
195.13841	100.0
196.14203	6.2
221.11752	5.4
227.49292	2.1
233.20766	2.4
235.08110	2.7
239.12762	6.0
253.09216	3.4
255.23270	6.0
277.21713	39.4
324.28214	2.0
327.48035	2.2
353.69708	2.5
457.20807	4.2
475.22092	8.7
735.43280	76.2
736.43622	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92286	1.7
53.70819	1.9
57.03322	3.7
59.01252	49.6
61.98696	19.4
71.01257	18.4
72.99174	7.9
75.00745	24.2
80.96328	2.4
83.04881	2.1
85.02832	24.7
87.00756	8.3
89.02326	4.1
92.55527	2.3
95.01279	4.6
99.00761	10.4
111.00786	2.2
113.02331	23.7
117.01812	3.6
121.02844	3.2
125.09578	2.6
127.11240	2.6
165.12703	2.9
175.02411	3.7
201.11282	21.0
206.10570	1.9
209.11731	18.6
249.06194	3.6
255.23257	100.0
256.23654	8.9
287.34644	2.2
505.30402	2.6
615.68494	2.4
689.41302	8.1
690.41528	3.6
715.42682	58.7
715.54358	3.6
716.42865	15.3
733.43951	99.6
734.44318	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.1
59.01250	6.6
61.98700	1.8
69.64895	4.2
71.01247	1.8
85.02853	1.4
87.00758	3.6
89.02347	0.9
99.04413	0.9
101.02296	1.2
105.03377	1.0
113.02322	0.8
115.22166	0.6
121.02852	1.1
122.03629	0.9
125.02306	1.1
134.03635	2.3
135.04297	0.6
136.05124	1.0
137.02350	1.3
145.04959	2.0
147.04408	3.5
148.05246	1.0
149.05972	7.8
150.06773	55.0
151.07237	2.5
161.09645	1.0
162.06750	2.9
163.07552	18.7
164.08339	5.4
176.08308	1.4
177.09113	5.9
177.83109	0.6
178.09958	3.8
179.10695	13.5
191.03464	1.6
191.05560	0.8
192.04257	1.7
193.05013	2.6
193.08653	0.9
201.11279	1.7
210.40059	0.6
211.13524	0.8
213.50859	0.6
289.18060	1.0
343.08099	1.7
446.82272	0.7
464.35004	11.8
465.35590	2.1
477.35757	3.4
478.36600	17.4
479.37418	100.0
480.37753	12.6
623.41626	5.9
624.42078	1.5
683.42999	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	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.98703	100.0
66.98640	0.2
70.68174	0.2
70.68506	0.4
71.01254	0.5
75.00719	0.2
80.96411	0.6
98.18833	0.2
124.53082	0.2
144.48251	0.2
161.26839	0.2
171.10187	2.2
172.10498	1.1
173.10732	0.4
221.50957	0.2
255.23366	0.4
277.21835	0.6
278.22168	0.7
279.22653	0.2
280.22794	0.2
287.38168	0.2
312.46613	0.2
390.51505	0.2
731.36536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30162	0.1
59.01242	0.5
61.98703	100.0
62.98407	0.2
63.39417	0.2
63.40734	0.2
68.30758	0.2
70.81737	0.4
71.01263	0.3
72.18684	0.2
79.95612	0.2
80.96408	0.6
99.00719	0.2
124.94812	0.2
171.10190	1.1
172.10547	0.5
250.93060	0.2
255.23329	0.6
277.21707	1.0
278.22083	1.0
279.22537	0.6
396.57828	0.2
533.97388	0.2
546.44659	0.2
713.40753	0.3
731.38281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.01251	33.5
61.98702	1.3
62.53179	0.9
65.60178	0.7
67.73610	0.7
69.77847	0.7
71.01270	3.3
71.53196	1.0
73.02811	1.0
75.01733	0.8
75.87251	0.7
77.50909	0.8
80.62778	0.6
82.61708	0.7
85.02829	1.0
87.00738	1.9
89.02316	2.6
96.43801	0.7
97.06428	1.3
101.02351	3.7
101.89792	0.8
113.02345	1.6
119.03374	1.0
127.07443	0.7
151.11177	2.6
161.04472	1.6
169.12256	26.2
171.10179	44.0
172.10477	2.2
213.11266	1.7
231.12332	1.6
235.08125	1.7
253.09265	3.7
259.20853	0.7
269.24899	0.7
277.21716	53.3
278.22095	5.3
281.24774	1.4
449.20630	1.3
467.20935	1.5
698.48425	0.9
709.41669	4.5
710.41937	1.1
727.42719	100.0
728.43097	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	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40016	0.8
55.01759	0.9
55.34447	0.8
57.03315	1.1
59.01252	17.0
61.98704	2.7
71.01247	6.0
73.02826	1.2
75.00780	1.0
83.01270	2.0
85.02827	3.6
87.00753	7.1
89.02309	1.8
93.03325	1.1
96.95867	1.3
97.50924	0.8
98.19859	2.3
99.00736	0.9
99.04395	1.5
101.02328	2.7
103.85348	0.9
105.03348	1.6
109.02860	0.8
113.02332	2.3
119.04919	1.6
121.02839	2.8
122.03635	1.1
125.02323	1.4
130.99796	1.2
133.02875	1.2
134.03630	3.8
135.04364	1.1
135.08061	1.8
136.05229	1.1
137.02376	5.7
137.05989	1.8
138.02747	1.2
139.03934	1.7
145.02832	1.2
145.04970	2.5
147.04408	11.4
148.05159	2.8
149.02396	1.0
149.05989	9.2
150.06775	56.2
151.07158	2.5
158.89198	0.9
159.04449	2.1
161.04475	1.0
161.09586	1.0
162.06773	3.1
163.03934	1.6
163.06252	1.5
163.07562	23.5
163.15746	0.8
164.08315	4.7
165.05537	0.9
172.05156	1.2
175.03871	1.2
176.08298	2.3
177.09120	5.6
178.09872	4.3
179.10681	13.9
185.05885	1.4
186.06749	1.0
187.07623	1.3
190.02585	0.9
191.03448	2.5
192.04257	5.1
193.05034	4.1
197.06084	1.1
201.05467	1.1
211.13376	2.9
215.07089	2.1
232.63223	0.8
244.10942	1.0
293.21432	1.4
313.03467	2.3
325.79535	0.9
339.16278	1.0
343.08142	5.3
359.05017	0.9
446.34006	1.3
464.35049	15.0
465.35092	2.5
477.35779	4.0
478.36615	24.0
479.37396	100.0
480.37805	16.7
521.38281	5.3
522.38702	1.1
623.41681	6.3
624.42010	1.8
683.43042	3.7
727.33252	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	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	39.4
60.37782	0.5
61.98699	1.5
71.01262	4.7
71.53006	0.6
85.02834	1.1
87.00748	1.8
89.02341	2.8
95.59890	0.7
97.06472	0.7
101.02334	2.9
113.02316	1.9
125.09626	1.1
127.11180	1.9
130.99734	0.5
151.11194	3.9
153.09099	1.0
153.74188	0.6
161.04498	1.5
169.12262	34.7
170.12527	1.7
171.10190	85.8
172.10530	4.1
187.13417	0.9
209.11873	0.9
213.11230	3.8
231.12294	3.2
253.09201	4.2
277.21719	30.2
278.22159	3.4
407.19110	1.9
449.20148	2.0
467.21307	3.4
524.57330	0.6
709.41742	4.4
710.42419	0.9
727.42706	100.0
728.43134	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	1.0
56.11093	0.9
57.93729	1.0
59.01252	8.8
61.98722	1.6
66.79446	1.0
71.01248	3.8
71.31232	1.8
79.21037	0.9
85.02822	2.1
87.00739	3.6
88.08516	1.0
91.05369	1.3
93.03326	4.5
96.02596	0.9
101.02338	2.1
101.03811	1.2
108.02055	2.8
109.02842	4.9
111.04420	1.0
113.02312	1.6
117.03324	3.1
119.04910	3.7
121.02835	4.7
122.03604	2.1
123.00772	1.1
123.04413	3.5
124.01563	1.7
132.02116	1.2
133.02855	28.4
134.03648	11.1
135.04414	6.2
137.02333	3.5
145.02879	2.8
147.04408	12.2
148.01544	7.4
149.02316	5.2
149.05956	3.1
150.03133	3.7
151.00188	1.3
151.03880	2.9
152.00963	1.5
153.01816	2.3
159.04373	1.3
160.01573	3.9
161.02367	13.1
162.03059	3.5
163.03937	14.2
163.40491	1.1
164.04547	1.4
165.05438	2.0
173.02316	3.0
173.04472	3.9
175.03911	6.7
177.05450	1.6
178.02626	3.2
179.03328	2.1
181.04974	1.0
187.03957	1.5
189.01822	11.6
190.02641	13.0
191.03436	51.3
192.03815	3.0
193.04942	11.2
201.05511	1.1
203.03415	2.5
205.04880	1.1
217.05077	1.5
219.02885	1.6
220.03723	2.8
221.04535	7.3
227.03317	3.1
228.03827	1.6
255.02986	4.8
256.03452	3.0
257.03540	1.1
265.04980	2.6
266.05847	19.1
267.06226	1.4
271.02625	1.1
281.08179	18.9
282.08463	2.0
284.03250	5.2
285.03723	3.9
286.03775	2.0
294.05371	9.3
295.05688	1.9
301.10843	2.7
309.07828	1.6
327.08737	100.0
328.09116	8.7
339.08597	1.4
343.08096	1.3
345.09912	6.7
357.09811	13.1
369.09824	1.3
375.10767	6.0
379.08139	1.1
387.10574	1.9
393.09842	1.4
394.09857	1.2
411.10721	4.6
429.11679	3.7
447.12924	10.3
489.14066	31.9
490.14246	3.8
507.15012	4.7
553.17084	1.4
626.69220	1.3
683.18549	1.2
727.16516	6.8
727.28833	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	727.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85527	3.2
65.00182	5.2
69.03367	3.2
69.83729	7.9
69.84148	6.1
81.03327	5.3
83.01247	8.5
83.99847	3.0
89.02281	2.7
93.03337	11.1
95.01250	3.0
97.02822	8.3
98.20462	3.4
105.03353	4.1
107.01273	8.0
109.02860	3.6
119.04921	62.1
121.02880	14.3
123.04375	3.2
125.02329	33.7
135.00755	3.3
135.04433	3.1
136.01582	3.5
137.02327	9.4
143.04922	12.1
145.02843	13.5
149.02367	9.8
151.00269	16.4
152.51468	3.6
161.06017	7.3
163.00243	16.4
163.03978	3.7
165.01846	18.1
167.03439	5.4
177.01808	7.1
178.02707	4.1
185.06039	5.3
187.03880	4.3
191.03374	3.9
193.01349	44.9
194.01576	3.4
194.43935	2.8
203.07112	3.2
203.32880	2.7
205.01389	3.7
219.02972	6.9
223.02414	4.4
227.07074	6.9
241.80937	3.1
269.08289	10.5
271.06140	12.9
283.06131	7.0
313.07178	82.1
314.07278	8.2
325.06921	4.3
343.08224	18.0
392.22836	2.8
607.16644	100.0
608.16669	14.7
637.17731	32.0
638.18146	4.1
661.25598	3.3
709.19769	4.0
727.20959	98.9
728.21149	17.4
739.41272	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	727.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52551	0.7
55.71335	0.7
59.01253	17.5
61.98706	4.2
69.03345	1.0
71.01256	8.8
72.99192	1.6
73.02824	3.9
75.00751	0.9
80.37540	0.8
83.01275	1.0
84.14635	0.7
85.02835	2.5
85.71063	0.6
87.00745	5.8
89.02320	2.9
89.03831	1.3
93.03313	1.1
95.01241	1.0
95.04939	0.8
97.02841	1.4
99.00762	8.0
101.02345	3.9
108.02067	1.0
111.00719	1.1
113.02343	3.4
117.03351	5.6
119.04909	1.2
121.02828	2.6
125.02341	2.3
130.99701	1.2
132.02065	2.9
133.02863	2.5
134.03639	100.0
135.04045	3.0
137.02361	2.7
139.03876	1.1
143.03380	1.5
146.03694	0.9
147.04420	8.0
148.05191	1.7
149.02390	1.0
149.05994	11.4
155.03406	1.5
159.04417	1.3
160.01582	13.9
161.02298	4.5
163.03966	1.5
172.05283	1.1
175.03935	15.1
177.01849	0.9
178.02672	2.9
188.04755	0.7
191.03470	2.0
191.05428	1.0
191.07162	2.0
192.04245	2.3
193.05006	99.9
194.05338	6.0
201.05508	0.9
201.11189	0.8
203.05542	2.6
205.04845	0.8
206.05788	1.1
211.13310	1.2
213.05428	1.0
214.06223	1.2
218.02115	0.9
221.08167	3.3
227.03522	0.9
235.06087	13.3
236.06311	1.2
247.06081	1.1
265.07169	23.0
266.07489	1.8
271.09781	0.7
307.08276	9.4
313.03467	1.0
313.18073	0.8
325.09259	11.2
328.06046	0.9
341.17169	0.7
343.08298	2.3
367.10303	20.4
368.10867	1.7
409.11682	1.0
431.24408	1.3
476.93814	0.7
523.29059	5.5
524.30115	1.1
683.39856	1.7
727.36273	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	725.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22982	1.3
57.03315	5.8
59.01247	8.9
61.88711	1.3
61.98704	2.0
69.22748	7.8
69.23177	6.1
71.01263	7.5
73.02824	1.6
75.00764	2.3
77.97169	1.1
78.95774	7.0
83.01254	1.7
87.00740	3.7
88.22769	1.3
89.02335	3.6
97.06513	1.3
101.02325	5.4
113.02320	4.3
123.08059	1.6
125.09586	2.0
139.11168	3.2
152.99486	10.9
156.98404	1.3
161.04489	1.4
167.10704	4.4
171.10158	6.3
185.11771	61.5
186.12148	3.0
201.11240	3.2
207.10197	1.6
209.11794	17.4
210.12163	3.3
211.09760	1.7
227.12904	7.4
228.13168	3.2
229.10896	2.0
243.12352	1.9
253.09207	9.0
253.21648	2.2
277.21722	83.6
278.22049	11.3
279.23273	12.2
471.16397	3.2
707.37610	3.9
725.41028	100.0
726.41742	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.3
65.52322	2.7
65.70440	2.5
68.12146	2.3
69.95854	8.3
71.01254	10.4
73.02782	3.3
80.88447	2.4
85.02811	7.8
87.00761	5.8
93.03307	3.3
95.01267	4.9
99.00745	4.4
100.49229	2.4
101.02312	4.5
101.43081	2.8
108.02059	93.3
109.02868	40.0
113.02287	3.0
119.04862	2.8
121.02839	7.4
122.03600	4.2
123.00806	2.6
123.04404	5.6
133.02849	3.1
133.08798	2.5
133.97313	2.8
134.03654	27.3
135.00809	3.4
135.04369	3.3
137.02324	4.8
145.02875	3.5
147.04402	4.2
149.02365	11.6
149.05981	8.2
150.03139	17.8
151.00270	5.0
152.01067	77.8
153.01859	39.7
159.04428	20.2
160.05205	4.8
160.10214	2.6
161.02356	5.6
161.05992	4.7
162.02885	2.9
163.03954	6.9
164.04616	2.7
165.05467	15.4
172.05128	3.5
173.02370	5.1
173.05994	16.4
175.03943	9.3
177.01810	2.7
178.02702	6.5
187.03877	7.2
191.05524	6.2
193.04984	46.0
195.06538	10.8
198.02992	3.9
199.03999	5.8
200.04517	2.7
215.03468	5.5
217.52106	2.8
229.01379	6.8
239.07106	3.9
243.02974	4.6
249.05589	4.4
251.07014	5.0
252.04158	3.2
253.05133	4.0
261.05499	8.6
262.06335	3.6
263.07083	4.9
264.04236	3.2
265.04871	7.6
266.05792	3.6
267.06601	9.0
268.06641	3.3
271.02487	5.4
277.05060	11.1
278.05826	14.4
278.08572	3.4
279.03824	3.8
279.06570	16.1
280.00177	2.3
280.03860	2.8
280.07291	12.7
281.07980	7.9
282.09000	14.5
282.63306	2.7
287.01926	12.0
289.05020	6.8
290.05884	3.5
291.06613	5.8
293.04504	2.8
293.07861	3.3
295.06351	6.1
295.09866	8.0
297.11325	10.8
300.02695	6.1
305.04532	7.5
306.05359	23.9
307.06082	44.5
308.06885	37.9
309.07407	6.0
315.07205	23.8
321.07712	36.0
322.08099	3.3
323.09225	40.5
324.09680	3.5
334.04901	6.3
341.10202	19.0
349.07144	10.8
366.07449	10.4
367.08160	13.3
389.12341	14.0
393.06192	36.9
394.06238	3.7
523.21912	4.9
531.17084	9.2
553.17059	3.1
591.43097	3.1
611.13947	3.8
621.16425	5.8
633.19897	3.6
639.17212	16.8
640.17688	4.2
665.15100	27.4
666.15521	7.3
683.16156	27.6
684.16180	6.3
709.14117	100.0
710.14105	20.4
727.14612	21.7
728.16370	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	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01253	24.3
60.01590	0.5
61.98707	3.4
69.03329	2.2
71.01253	4.2
71.04883	1.0
71.36644	0.4
71.45281	0.9
71.61938	0.3
72.99159	0.5
73.02818	0.5
80.18257	0.3
83.04900	0.5
85.02819	1.0
85.06451	0.6
87.00746	1.2
89.02310	2.1
93.52102	0.4
95.04904	0.6
101.02332	3.5
106.31791	0.4
109.06448	0.5
111.08049	0.7
113.02324	1.6
119.03396	0.4
121.02855	0.9
125.09731	0.5
134.03589	0.4
134.48077	0.4
135.04410	1.3
149.05989	0.5
149.09727	0.6
161.04463	1.4
167.10683	3.0
169.12292	0.6
179.05577	0.5
179.10713	1.6
179.14342	3.0
180.14684	0.4
187.11095	0.7
195.13837	10.1
196.14189	0.9
197.11763	10.5
198.12141	0.7
199.09573	0.4
205.12276	10.2
211.13341	0.6
223.13353	100.0
224.13678	6.2
235.08215	3.1
253.09261	7.2
271.09714	2.3
284.03366	0.6
287.05569	0.5
291.19687	1.0
293.21356	1.0
309.20621	3.2
310.21161	0.6
342.07669	1.8
411.25443	0.7
429.26578	1.2
433.21164	0.5
441.21466	2.2
452.51404	0.4
459.22366	13.6
460.17004	0.4
460.22327	2.1
554.18591	0.4
647.34491	1.8
648.34106	0.6
665.34991	2.3
725.31415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.4
57.08649	1.0
59.01250	81.9
60.01582	1.4
61.98702	5.7
68.99668	1.2
71.01243	8.9
71.01611	1.8
73.02846	3.0
73.66182	1.2
74.64122	1.3
75.00737	1.6
82.06082	1.1
83.01248	1.7
85.02824	5.2
87.00735	4.9
89.02306	2.4
91.05407	1.2
93.03323	1.5
96.16473	1.2
99.00764	1.7
99.54575	1.2
101.02326	3.6
108.02062	2.1
110.69006	1.4
110.75248	1.3
110.91260	1.4
113.02350	3.4
124.96909	1.2
125.02303	1.4
134.03629	5.1
135.04419	2.0
135.08058	3.4
137.02357	2.4
147.04402	4.5
149.05946	4.3
150.06754	5.3
160.01582	2.4
160.16820	1.5
163.07556	100.0
164.07909	4.4
173.05946	2.0
175.03940	3.4
192.03949	1.4
193.05038	6.2
209.11760	1.3
211.13423	1.5
227.03459	1.4
252.51842	1.3
255.03099	2.0
280.89691	1.2
284.03510	1.2
301.10941	2.0
376.00323	1.2
430.20111	1.5
459.34882	9.5
460.35114	1.9
462.33459	2.4
477.35840	85.6
478.36395	10.7
621.39697	2.9
681.42169	44.0
682.42627	8.6
725.17450	1.3
725.41943	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43663	0.3
52.64654	0.3
59.01258	2.7
64.29300	0.3
71.01266	1.1
71.54264	0.5
72.99211	0.4
73.02806	0.7
83.01267	0.4
85.02818	0.5
87.00778	0.8
89.02341	0.7
93.03344	30.6
94.03705	0.6
96.52294	0.3
97.02895	0.5
99.00746	0.9
101.02316	0.6
103.90113	0.3
106.02399	0.3
113.02377	0.6
117.03357	1.9
119.04900	1.0
121.02862	0.7
129.39886	0.4
133.12340	0.3
134.03654	1.2
135.04424	1.1
137.02354	100.0
137.79124	0.4
138.02701	3.2
145.02867	4.9
147.04517	0.4
149.02356	4.7
149.06076	0.5
151.00305	0.8
163.03929	0.9
164.04727	3.6
171.10236	0.9
175.04019	0.4
178.02600	0.7
178.99768	0.4
179.03423	1.1
187.04048	0.4
190.02628	0.4
193.05028	1.4
205.05032	0.9
211.04053	0.4
223.06100	9.8
224.06461	0.3
227.03470	6.0
227.05479	0.6
228.04012	0.5
229.05000	0.6
255.02988	10.5
256.03632	1.6
257.04486	0.6
284.03281	17.4
285.03928	6.6
286.04324	0.5
327.21765	3.0
343.08099	0.5
375.22006	0.4
415.14624	0.6
501.23242	1.2
543.24713	0.4
551.15680	1.2
561.12708	3.4
562.12311	0.5
567.30634	0.4
579.13562	8.4
580.14026	1.3
681.27545	3.6
682.28058	1.1
725.17181	7.5
725.28864	0.5
726.17065	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	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.8
57.03305	1.0
59.01254	36.4
60.99178	1.0
61.98708	4.2
69.98751	3.9
71.01258	7.9
72.99171	0.9
73.02812	3.4
83.01244	1.9
85.02824	4.9
85.99952	1.6
87.00742	3.9
89.02328	1.1
95.01317	0.9
98.19939	1.1
99.00765	1.6
101.02303	4.9
107.04909	0.9
109.02762	0.7
109.06462	1.0
113.02307	2.5
113.40259	0.9
132.52019	0.8
134.03651	0.7
135.04361	1.6
137.02318	0.8
147.04385	2.3
149.05940	1.2
175.04073	1.0
175.07579	1.0
186.06818	0.9
193.04965	1.3
197.11763	3.5
227.03442	1.0
227.12863	0.9
231.66301	0.9
243.10052	0.8
255.02898	1.8
284.03146	1.3
309.34061	0.9
343.08322	0.9
345.00870	1.7
459.34851	1.4
477.35916	1.3
565.37189	1.0
583.38428	2.9
603.39508	1.6
621.40363	10.8
622.40692	1.9
627.75647	1.1
639.41101	5.8
663.40198	1.3
681.42194	100.0
682.42657	20.3
725.18787	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72458	0.9
56.50227	1.0
56.89872	1.0
59.01003	1.1
59.01253	16.7
61.98708	6.2
71.01247	6.0
73.02818	1.6
78.37877	1.0
83.04873	1.7
84.84096	1.0
85.02817	1.7
86.97666	1.1
87.00741	2.1
89.02297	2.6
97.06454	4.5
98.19788	2.5
101.02328	6.1
109.01241	1.2
109.02834	2.8
113.02303	3.2
121.02837	1.0
135.04405	7.9
147.04321	1.2
149.05968	2.2
149.09610	1.2
151.11179	14.6
157.66090	1.1
161.04471	1.6
169.12256	72.5
169.62836	1.1
170.12576	4.3
171.10205	2.0
174.57727	0.9
176.27811	1.0
195.10095	1.5
195.13823	4.5
195.57608	1.0
209.11757	2.0
210.11928	1.2
213.11293	9.5
223.13321	3.1
253.09236	3.9
271.09772	11.7
272.09906	1.2
275.20142	3.7
277.21606	1.3
278.22089	1.0
279.23166	2.1
284.03241	1.6
285.03543	1.2
287.09225	1.2
293.21216	16.2
293.49738	1.1
294.21631	2.0
309.20886	1.1
313.03265	1.1
327.76202	1.0
339.40027	1.0
431.19312	2.9
449.20444	5.9
725.41144	100.0
726.41608	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59958	0.5
59.01250	7.7
65.03859	1.8
66.44489	0.5
71.01275	1.9
71.34827	0.5
75.30888	0.5
85.02856	0.7
87.00771	1.1
89.03869	0.8
91.05408	7.1
92.05740	0.6
92.45302	0.5
93.03362	1.2
98.19780	1.8
105.05370	0.6
108.02055	0.8
109.02837	11.9
110.03220	0.6
117.03347	1.3
119.04900	0.6
121.02844	5.0
123.04467	0.6
125.02266	0.6
129.10172	0.5
132.02072	23.2
133.02899	3.7
134.02791	0.5
134.03636	31.8
135.04425	50.6
136.04800	2.0
137.02362	2.2
138.03131	2.5
139.03946	0.8
147.04437	6.7
148.04895	0.5
149.02357	1.5
149.05986	5.6
151.03986	1.1
153.05490	4.3
159.04427	1.1
160.01573	85.3
161.02342	10.4
163.07593	1.2
164.04703	2.7
171.41431	0.6
174.03146	1.3
175.03926	100.0
176.04237	4.6
177.05444	0.9
178.02615	3.7
179.03386	1.5
179.07060	4.5
181.60278	0.5
189.05502	0.7
191.07108	0.6
193.05000	43.0
194.05338	2.0
201.05548	0.7
202.02608	1.5
210.06767	0.6
217.05008	2.7
227.07065	1.7
230.33530	0.7
254.05768	1.8
255.06624	0.8
269.08185	3.3
271.06180	0.8
286.08615	0.6
301.10812	44.6
302.11118	4.5
325.10822	1.8
355.11819	1.0
365.08694	4.8
367.11603	0.6
379.10339	32.4
380.10767	3.4
427.14038	1.3
445.15161	0.9
477.35275	0.6
487.16074	5.4
639.20020	0.8
681.21863	42.3
681.40192	1.6
682.22198	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	725.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.9
59.01245	3.4
65.03838	1.8
66.75048	1.0
83.01249	1.8
87.00750	1.1
91.05428	5.3
93.03326	2.2
98.20510	2.0
108.02032	2.4
109.02842	17.1
117.03358	2.1
119.37968	0.9
121.02835	3.9
123.04359	1.3
125.02337	18.7
126.93369	1.0
132.02072	21.7
133.02820	2.9
134.03632	40.5
135.04431	46.8
136.04756	1.5
137.02309	3.0
138.03102	3.3
139.03871	1.2
147.04437	10.5
149.02353	2.9
149.05978	5.6
151.03917	1.5
153.05518	5.8
160.01572	84.5
161.01900	4.5
162.03029	0.8
164.04720	2.1
175.03926	100.0
176.04251	6.4
178.02571	4.7
179.07129	5.7
184.19739	0.8
193.04997	66.6
194.05316	4.1
200.04858	1.0
202.02603	1.2
203.48956	1.0
210.06761	1.2
212.04727	1.8
217.05014	2.9
225.08968	1.2
227.07100	1.4
229.05118	1.4
254.05818	3.7
269.08072	5.0
270.08624	1.1
271.06088	1.9
301.07181	13.5
301.10718	64.2
302.07806	1.3
302.11179	6.2
379.10324	51.6
380.10651	6.3
408.75357	1.0
487.16742	1.5
643.52838	1.0
681.21954	23.5
682.22223	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	725.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00989	1.4
59.01256	17.4
61.98703	2.3
65.03828	2.0
67.01749	1.2
71.01253	7.4
71.54491	1.5
73.02821	3.8
80.96411	1.3
85.02823	3.1
87.00749	2.2
91.01756	1.9
91.05405	5.9
92.54419	1.1
93.03356	2.6
99.00780	1.3
101.02322	3.6
107.04890	1.0
108.02040	3.1
109.02840	31.6
110.03235	1.1
113.02293	2.5
117.03378	1.4
119.00527	1.1
119.01270	7.7
119.04930	1.3
121.02847	18.2
123.04396	8.6
124.01608	1.7
132.02057	2.8
133.02867	3.0
134.03644	15.7
135.04425	59.6
136.04704	1.4
137.02380	5.0
147.00822	4.6
147.04425	9.8
149.02353	27.2
149.05988	19.6
150.03131	5.6
151.03896	0.9
153.95107	1.0
159.04350	1.5
160.01575	12.0
161.02296	1.8
163.03952	2.8
164.04703	19.3
165.01814	2.2
165.05444	1.7
168.11771	0.9
172.05240	1.5
173.05989	1.3
175.00293	43.3
175.03891	15.7
176.01047	7.0
178.02524	1.2
179.07065	3.6
186.06837	1.2
188.04742	1.5
189.01836	1.6
190.02652	97.5
191.03365	13.3
193.01331	1.8
193.05006	9.5
197.06033	1.9
205.05011	100.0
206.05347	4.1
208.03685	5.0
209.04416	2.3
209.11794	2.5
211.13383	2.3
212.08098	1.3
214.06276	1.8
223.06068	46.6
224.06392	1.8
229.08609	1.5
232.03691	1.5
238.06372	2.1
241.05016	1.3
253.08572	2.4
256.07336	1.9
271.09756	80.7
272.10043	6.9
284.67590	1.0
286.08557	5.9
295.09583	2.1
301.10818	6.1
325.10779	2.3
379.10431	7.9
395.09848	8.1
397.12903	1.5
407.86914	1.1
409.11395	40.6
410.11606	4.1
429.16663	1.2
457.15024	8.0
477.35568	1.3
681.21936	55.4
681.40820	12.2
682.22217	11.1
725.32819	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15547	0.5
59.01249	6.3
59.01496	0.5
64.28539	0.6
65.03845	0.9
67.01791	0.7
71.01258	2.2
72.99181	0.5
73.02835	2.1
83.01247	0.5
89.03874	0.6
91.05408	7.4
93.03355	2.0
101.02328	0.7
105.14363	0.4
108.02068	1.4
109.02833	10.3
113.02344	0.6
117.03355	2.2
121.02821	4.4
123.04438	1.0
132.01036	0.6
132.02065	24.1
133.02927	2.8
134.03633	31.3
135.04416	50.6
136.01534	0.6
136.04759	2.1
137.02327	2.2
138.03107	1.7
139.03879	0.6
147.04420	5.8
149.02348	1.7
149.05972	5.5
151.03905	0.6
153.05482	5.7
159.04436	0.8
160.01569	90.1
161.02292	9.8
162.02878	0.4
163.03804	0.5
164.04683	2.0
174.03201	1.1
175.03922	100.0
176.04292	4.3
178.02652	4.2
179.03415	1.4
179.07069	5.2
185.06094	0.5
187.03986	0.7
189.05487	0.7
193.04994	43.7
194.05286	2.5
196.89264	0.5
201.05565	1.0
202.02597	1.5
203.03223	1.0
212.04620	0.6
215.06984	0.5
217.04987	1.9
227.06863	1.1
233.11862	0.5
243.06808	0.5
254.05763	2.2
255.06381	0.8
269.08163	2.9
271.06036	1.3
301.10803	48.0
302.11127	5.5
325.10669	1.4
337.09515	0.5
355.11816	1.1
365.08600	4.7
367.11826	0.9
379.10333	33.4
380.10745	3.6
427.13834	1.1
487.15985	6.6
488.16504	0.7
505.17047	0.6
621.19684	0.7
652.28394	0.5
681.21857	45.1
681.41339	2.7
682.22028	10.9
745.21130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	21.9
61.98698	3.5
65.03828	1.1
65.38375	0.7
67.01742	0.8
70.93535	0.9
71.01240	6.5
73.02820	4.6
75.00774	0.9
83.01273	1.6
85.02804	1.7
87.00735	2.2
89.02334	1.7
91.05405	4.9
93.03352	1.9
101.02312	4.6
107.32822	1.0
108.02038	2.1
109.02839	10.4
113.02343	3.2
117.03333	1.6
119.04930	1.9
121.02867	6.0
123.04406	2.8
125.02384	1.5
126.11368	0.9
132.02066	22.4
133.02866	9.7
134.03633	22.2
135.04419	44.5
136.04852	1.0
137.02345	2.9
138.03114	1.9
139.03912	1.0
147.04424	9.3
149.02350	2.6
149.05949	4.9
150.03133	0.9
151.03937	2.0
153.05424	4.5
160.01573	94.8
161.02351	9.6
161.04427	1.2
163.03976	1.0
164.04654	2.6
166.35103	0.9
167.03426	4.6
171.10234	1.0
175.03926	100.0
176.04295	5.5
177.01807	2.3
178.02635	2.9
179.03395	2.2
179.07118	4.7
187.03911	1.3
193.05002	26.3
194.05379	1.6
201.05499	1.2
209.11667	1.4
211.13329	1.3
217.04971	1.6
227.06992	1.2
244.01407	0.9
254.05870	1.2
255.03168	0.9
269.08237	2.2
271.06094	1.1
301.10791	39.1
302.11227	3.4
315.12326	1.1
319.08139	3.1
337.09186	2.5
343.08182	1.1
364.07800	3.2
365.08493	5.3
379.10327	53.9
380.10602	4.9
427.14020	2.4
445.15152	2.3
478.84146	0.9
487.16245	2.0
621.19910	9.7
622.20551	1.4
639.20618	2.7
640.21350	1.7
680.40845	1.3
681.21808	29.6
681.41663	3.3
682.22546	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	725.1939
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.86411	0.4
59.23568	0.4
69.89796	2.5
87.00740	0.5
91.01778	2.2
93.03364	0.5
95.62156	0.5
98.19888	0.8
108.02096	0.7
121.02829	2.3
124.01521	0.5
135.00801	5.5
148.01581	5.5
149.02333	1.0
153.01839	5.1
163.00284	8.7
163.04091	0.6
164.00615	0.6
172.05190	0.6
173.04527	1.0
183.04520	0.7
191.03539	0.7
191.05516	1.2
199.03972	0.7
200.04648	1.0
203.03587	0.7
211.03987	1.1
227.03456	24.9
228.03831	1.9
229.04951	1.3
239.03477	21.9
240.03947	2.0
255.02979	71.4
256.03519	8.6
257.04443	1.4
283.02563	3.2
284.03268	100.0
285.03870	17.5
327.05093	1.0
459.09369	0.6
522.29645	0.5
575.14081	0.7
593.15948	0.9
725.19391	80.6
726.19739	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	725.1934
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
63.02281	1.0
65.00201	0.6
69.86682	0.7
69.87072	1.2
75.87035	0.4
80.12883	0.3
83.01255	0.7
93.03352	0.9
96.31010	0.4
98.19927	0.6
107.01275	2.8
108.02100	0.4
132.02075	1.6
135.00786	1.3
143.04950	0.7
151.00284	4.4
159.04482	0.5
163.00331	0.9
164.01086	0.8
169.01355	0.8
171.04332	0.6
178.99794	1.5
183.04474	1.2
185.05991	0.8
187.03963	1.3
197.05952	0.5
200.04787	0.5
211.04012	2.0
213.05556	1.0
227.03458	41.7
228.03838	2.6
229.04965	4.1
239.03395	1.3
241.05119	1.0
255.02977	80.3
256.03568	9.3
257.04510	4.7
283.02484	2.9
284.03265	94.2
285.03949	31.8
286.04413	2.1
327.05142	0.9
347.27383	0.5
393.06335	0.5
575.14587	0.7
593.15271	0.9
725.19330	100.0
726.19659	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	725.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51071	0.2
57.03326	17.5
58.03653	0.3
59.01253	1.6
61.98706	0.4
71.01259	0.5
71.54163	0.4
73.02836	0.3
79.04009	0.2
81.03324	2.4
82.52606	0.2
83.01257	4.9
84.76270	0.3
87.00748	0.9
93.03325	0.3
101.02395	0.4
108.02077	0.3
109.02826	0.4
113.02313	0.3
121.02843	0.7
123.04380	0.4
124.01567	0.6
125.02338	100.0
126.02684	3.6
132.02098	1.4
133.02840	0.4
134.03635	3.4
135.04407	0.9
136.01552	0.4
137.02359	0.7
139.03943	0.5
147.04428	0.8
148.05205	0.4
149.02357	0.9
149.05942	0.7
151.00365	0.3
160.01575	4.1
161.02278	0.5
163.03944	0.8
163.07677	0.3
165.01840	0.3
167.03410	0.5
173.06007	0.3
174.03156	0.3
175.03905	4.1
176.04680	0.8
177.01964	0.8
178.02567	0.6
179.03348	0.3
191.03391	1.4
191.07080	0.7
193.04987	4.0
194.05365	0.5
215.07112	0.4
217.05013	0.9
265.77600	0.2
271.02475	0.4
284.03262	0.4
301.07178	64.6
302.07529	5.8
302.10825	0.5
315.08652	0.7
325.07541	0.3
337.09421	0.2
343.08142	0.5
352.03485	0.3
367.08209	0.9
373.44739	0.3
379.10385	0.9
385.08932	0.3
402.52969	0.3
487.12320	1.3
519.26501	0.3
681.19855	1.1
682.20386	0.3
725.32074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.9
62.84880	0.5
65.00203	0.9
67.45837	0.4
71.01244	1.7
73.02831	0.6
83.01274	0.9
85.02833	0.9
87.00765	1.9
89.02339	0.7
96.95886	0.9
98.19686	0.8
101.02324	0.9
107.01266	1.8
108.02046	2.1
109.02819	0.8
113.02354	1.3
119.04924	0.6
121.02853	1.7
123.04417	0.8
123.44270	0.5
124.01525	0.5
125.02364	0.4
132.02068	0.6
134.03633	1.8
135.00755	1.4
137.02322	0.8
147.04436	1.0
148.01575	1.8
148.23862	0.4
149.06029	0.7
151.00279	5.9
153.01862	0.7
160.01509	0.7
161.02362	0.4
163.00305	1.8
163.03941	0.8
164.04681	0.5
165.05374	0.6
171.04457	0.5
174.03084	0.5
175.03931	1.9
178.99805	3.4
179.07053	0.5
181.04962	0.6
185.06052	0.5
191.03522	0.5
193.05011	2.2
198.03188	0.4
199.03905	1.4
203.03410	0.5
211.03825	1.0
215.03406	1.0
216.04205	0.8
226.02641	2.2
227.03493	4.0
243.02969	12.3
244.00583	0.5
244.03398	1.3
254.02126	2.2
255.02969	29.2
256.03458	2.3
271.02481	66.2
272.02890	6.6
273.03888	0.9
284.03223	1.2
299.02066	3.4
300.02750	100.0
301.03284	15.8
313.03653	0.5
315.78116	0.5
327.21750	0.5
362.63306	0.5
401.63263	0.5
577.12097	4.1
578.12421	0.7
595.12842	0.5
681.35052	0.8
682.35309	0.5
725.17242	43.0
725.37128	1.2
726.17468	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	725.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28755	0.7
57.03288	0.8
59.01252	5.6
62.61832	0.7
63.02243	0.9
69.31629	1.1
69.32037	5.1
83.01273	0.8
85.02817	2.4
87.00746	3.0
89.02325	2.1
90.83253	0.7
93.03336	8.6
99.00739	1.4
101.02322	2.6
104.70512	1.0
107.01271	2.2
109.02796	0.7
113.02327	2.1
117.03358	17.0
118.03725	1.2
119.04877	1.4
121.02818	0.9
123.04409	0.8
124.01538	0.7
132.02060	4.4
132.27928	0.7
133.02899	0.9
134.03632	7.6
137.02345	24.4
145.02858	40.6
147.04315	1.0
149.02312	4.4
149.05952	1.2
151.00308	3.4
159.04445	1.4
160.01569	13.0
163.00313	2.1
163.03920	2.7
164.04681	4.0
171.10147	1.2
175.03928	10.4
178.99776	1.7
183.04414	1.6
185.02260	0.7
191.09001	0.8
193.05058	7.1
194.05331	0.9
197.05968	1.0
201.05475	0.9
205.05016	0.8
211.03941	2.4
211.13298	1.0
213.05640	0.7
223.06079	8.2
227.03459	37.3
228.03897	2.6
229.05058	3.1
239.03513	1.1
241.04982	1.4
255.02962	70.1
256.03503	8.5
257.04547	3.6
283.02505	1.9
284.03259	100.0
285.03958	38.6
286.04434	1.9
316.29669	0.9
327.21677	8.1
387.16797	1.1
415.14587	1.6
447.09393	1.0
464.44559	0.8
561.12457	9.8
562.13055	2.4
569.03101	0.9
579.13550	55.6
580.13788	10.0
665.37494	1.5
725.17273	44.1
725.30353	20.8
726.17670	11.3
726.30029	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	725.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47354	0.5
57.03331	0.9
59.01257	8.4
61.98705	1.2
62.49238	0.6
63.02288	1.2
63.64540	0.5
65.00208	0.7
69.38647	3.0
69.39056	1.1
72.99225	1.0
73.02830	1.0
83.01271	1.3
85.02849	2.2
87.00747	3.9
89.02345	2.3
93.03334	5.4
95.01298	1.0
95.04986	0.6
96.61676	0.5
96.95972	0.7
98.20667	0.6
99.00779	1.2
100.62036	0.5
101.02339	2.7
107.01313	1.7
109.02807	1.1
113.02351	2.4
117.03355	21.9
119.03409	0.9
119.04955	3.1
120.02042	0.5
121.02892	0.9
123.04430	0.6
125.02358	0.6
132.02069	10.2
133.02859	1.4
134.03642	19.4
135.00813	1.6
135.04402	1.0
137.02351	12.8
139.03940	1.0
145.02869	40.4
146.03233	1.7
147.04469	1.0
149.02356	1.6
149.06030	2.4
150.03143	0.6
151.00284	5.0
159.04401	1.3
160.01584	34.2
161.02287	2.6
163.00310	1.6
163.03922	2.0
164.01053	0.6
164.04761	1.3
165.05467	0.8
169.06520	0.8
171.10196	1.0
175.03941	29.6
176.04407	1.6
177.01849	1.1
178.99800	1.5
179.03363	0.8
183.04448	1.5
185.06001	0.9
187.03899	1.8
191.07216	0.9
193.05017	14.8
194.05261	0.9
199.03859	1.0
200.04681	0.6
211.03947	2.1
211.13251	0.9
213.05676	1.1
223.06129	3.0
227.03462	41.2
228.03824	3.8
229.04990	4.6
239.03363	1.6
241.04979	0.7
255.02982	78.1
256.03549	10.4
257.04498	3.7
283.02466	2.3
284.03271	100.0
285.03983	37.1
286.04416	2.8
327.05188	0.7
327.21780	7.8
343.08109	1.4
398.15683	0.6
415.14432	2.2
429.08496	1.0
438.33093	0.6
447.09283	1.0
466.33994	0.6
561.12653	9.2
562.12952	1.9
579.13574	55.7
580.13934	8.9
583.42578	0.6
583.53809	0.6
605.11230	1.7
665.37469	1.1
681.26880	0.7
725.17157	32.7
725.30206	37.8
726.17548	8.7
726.30554	6.3
738.81104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06414	0.3
56.01421	0.3
59.01251	3.0
61.98704	1.2
63.02270	0.5
65.00196	0.8
70.21142	1.0
70.87456	0.4
71.01252	1.4
73.02824	1.0
83.01261	0.8
85.02834	1.0
87.00768	1.4
89.02317	0.4
89.03835	0.7
93.03352	0.7
97.19398	0.4
98.20584	0.4
99.00754	0.5
101.02329	1.2
107.01252	2.1
107.04899	0.5
108.02067	2.1
109.02830	1.9
113.02335	1.1
115.32703	0.4
117.03331	2.0
120.86407	0.3
121.02827	1.9
123.04422	2.4
124.01490	0.4
125.02325	1.2
132.02090	1.1
134.03635	36.0
135.00763	0.8
135.03970	0.8
137.02328	3.1
147.04410	0.8
148.01569	1.3
149.02303	1.2
149.05986	2.9
150.03128	1.1
151.00285	6.0
151.03909	14.2
152.00935	0.5
152.04286	0.5
153.05467	1.2
160.01570	2.8
161.02370	0.8
163.00307	0.9
163.03931	2.3
164.01062	0.5
164.04655	1.1
171.04507	0.4
175.00359	0.4
175.03940	4.6
178.02707	0.4
178.99777	3.7
179.07097	2.3
181.08583	0.4
183.04321	0.4
187.03958	0.4
190.02740	0.7
193.04994	41.4
194.05330	1.6
194.85321	0.5
199.03944	1.2
203.03543	0.5
205.05052	0.5
209.11783	0.4
211.03979	0.8
215.03439	0.6
216.04225	0.5
226.02670	1.6
227.03423	3.8
243.02982	10.7
244.03513	0.9
254.02237	2.2
255.02966	25.4
256.03314	2.0
271.02469	61.2
272.02975	5.4
273.03757	0.7
284.03186	0.8
299.01953	3.2
300.02737	100.0
301.03305	15.2
302.03836	0.6
315.08694	0.4
317.10297	13.7
318.10660	1.0
327.04898	0.5
327.21677	0.5
333.24637	0.4
342.07513	0.8
343.08331	0.5
357.09766	1.6
461.14398	0.8
463.09131	0.4
478.12570	0.4
521.16620	12.2
522.16785	1.4
577.11987	10.2
578.12122	1.5
619.20630	0.5
725.17133	39.4
725.32562	1.9
726.17505	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	725.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35468	0.2
59.01253	0.9
65.00191	0.8
65.75574	0.2
71.01251	0.3
83.01250	0.7
87.00745	0.8
95.01225	0.3
107.01277	1.9
108.02046	1.7
109.02846	0.5
113.02342	0.3
113.41827	0.2
117.03326	0.3
121.02850	1.0
123.04488	0.3
124.01557	0.3
125.02316	0.2
126.15906	0.3
134.03624	3.6
135.00781	0.7
137.02370	0.6
147.04483	0.4
148.01588	1.5
149.02330	0.3
149.05991	0.6
151.00270	5.7
159.04445	0.4
160.01576	0.5
163.00336	0.9
163.03883	0.3
164.01051	0.7
169.01294	0.3
175.03903	0.6
178.99773	3.0
179.03488	0.3
183.04425	0.3
187.03920	0.4
193.04987	4.2
198.03151	0.5
199.03871	1.1
201.01970	0.5
203.03519	0.4
204.88213	0.3
211.03957	0.8
215.03444	0.8
216.04243	0.6
226.02634	1.6
227.03461	2.8
229.01334	0.3
231.86745	0.2
243.02959	13.0
244.03395	1.4
254.02206	2.7
255.02962	28.3
256.03320	2.5
271.02472	60.7
272.02917	5.9
273.03961	0.7
299.01950	2.5
300.02734	100.0
301.03271	13.8
302.03925	0.6
551.97339	0.3
573.03735	0.3
577.12079	1.0
593.13336	0.5
622.96167	0.3
681.27515	0.5
725.17169	51.3
726.17499	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	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22029	0.3
57.03330	0.4
59.01257	4.4
61.98705	3.5
63.02274	0.7
65.00201	1.0
65.11864	0.3
65.38845	0.4
71.01267	1.6
71.52811	0.5
72.99191	0.6
73.02831	0.9
83.01279	1.3
85.02837	1.1
87.00748	2.0
89.02340	1.0
93.03352	1.0
95.01276	0.5
96.95938	0.5
99.00791	0.9
99.04339	0.3
101.02350	0.7
107.01251	2.2
108.02082	1.2
109.02840	1.0
113.02334	1.4
117.03331	2.4
119.04877	0.9
121.02850	4.8
123.04424	1.3
125.02325	0.8
132.02098	0.9
134.03633	31.4
135.00768	0.8
135.03081	0.3
135.04021	1.4
137.02342	2.5
145.02855	0.9
147.04410	1.0
148.01595	1.4
149.02354	1.2
149.05997	3.1
150.03123	0.4
151.00296	6.7
151.03928	5.9
152.00917	0.3
153.01860	0.5
159.04396	0.6
159.42404	0.3
160.01549	2.8
161.02263	0.4
161.04572	0.4
162.03116	0.4
162.06827	0.4
163.00264	1.1
163.03925	1.5
164.01144	0.5
164.04758	0.5
169.01346	0.6
173.04538	0.4
175.03934	4.6
176.54718	0.4
178.02689	0.7
178.99782	3.3
179.07071	1.0
180.00169	0.4
180.07788	0.9
181.08649	0.6
187.03920	0.7
190.02638	1.0
193.04999	38.2
194.05293	2.5
197.11911	0.5
198.03056	0.6
199.03946	1.1
203.03416	0.5
205.05011	0.8
209.11841	0.8
211.04002	0.5
215.03418	0.8
216.04210	0.4
226.02669	1.3
227.03456	3.5
228.03848	0.5
243.02972	11.0
244.03455	1.2
246.77341	0.4
254.02194	2.2
255.02962	25.6
256.03452	1.6
267.07190	0.6
271.02475	55.2
272.02933	6.3
273.04099	0.6
283.02478	0.6
284.03232	1.5
285.03925	0.4
299.02066	4.1
299.05481	0.8
300.02744	100.0
301.03342	17.0
302.04102	0.5
312.02667	0.4
313.03568	0.8
317.10318	4.7
318.10504	0.6
327.05103	0.6
342.07419	1.9
343.04199	0.7
343.08157	0.6
357.09790	2.6
357.26135	0.6
358.10046	0.4
367.10083	0.4
463.08823	1.1
521.16595	5.0
577.12006	13.9
578.12085	2.3
579.13135	0.7
615.13464	0.4
619.20313	1.0
679.52246	0.4
725.17194	36.8
725.30780	1.3
726.17468	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	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01247	10.0
66.89492	0.3
69.03304	0.6
71.01249	5.0
72.99164	0.4
73.02811	1.1
78.95765	0.4
80.02547	0.8
81.03330	0.7
83.01279	0.7
83.04890	3.4
84.02021	0.5
85.02818	1.3
87.00760	0.8
89.02310	3.7
93.37341	0.4
94.45427	0.3
94.58790	0.3
95.01273	0.6
95.04902	0.4
97.02836	0.4
99.00701	0.4
101.02322	4.3
108.25259	0.3
109.06473	0.6
111.07999	0.4
113.02332	2.4
119.03374	1.2
123.51509	0.4
125.05976	0.6
131.03290	0.3
135.08092	0.5
161.04475	2.2
163.11214	2.3
165.12752	2.1
167.10699	0.4
167.14319	0.5
171.10197	0.7
171.14716	0.4
178.16614	0.4
179.05566	0.8
179.14384	0.8
181.12244	0.8
183.13837	6.5
184.14153	0.5
191.10616	0.8
193.12253	1.5
195.13835	4.7
196.14290	0.4
208.10451	0.4
209.11775	84.1
210.12129	6.9
211.13341	100.0
212.13704	7.0
223.13315	3.5
225.11307	0.8
227.12852	8.1
228.13376	0.9
235.08180	4.1
253.09274	20.0
254.09619	1.2
256.13077	0.6
275.20135	4.6
276.20444	0.5
277.21716	40.8
278.22079	5.0
282.86377	0.4
293.21228	57.9
294.21527	6.6
370.31720	0.3
443.14380	0.4
445.20642	0.5
447.22433	3.8
448.22583	0.7
457.25967	0.4
487.34390	0.7
529.30261	0.8
560.39941	0.4
723.43738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03318	0.2
58.00467	0.2
59.01248	3.4
61.98705	1.1
65.30631	0.2
71.01254	2.6
72.99179	0.2
73.02816	0.5
78.95788	0.3
80.02547	0.8
81.03324	1.4
83.01237	0.4
83.04893	4.3
84.02026	0.7
85.02808	0.7
87.00745	0.5
89.02315	1.8
90.32671	0.2
95.01266	0.3
95.04893	0.5
97.06452	0.3
98.19802	0.5
101.02324	2.5
113.02326	1.4
119.03384	0.5
125.05942	0.5
135.08040	0.7
137.83965	0.2
143.03415	0.4
145.04999	0.2
161.04509	1.0
163.11200	3.6
164.11551	0.3
165.12781	2.3
175.36494	0.2
179.05548	0.3
181.12212	0.5
191.10744	1.0
191.12186	0.2
209.11766	100.0
210.12117	6.9
211.13116	0.2
227.12840	9.8
228.13141	0.7
229.84747	0.2
235.08208	1.6
253.09259	7.5
254.09613	0.4
265.01801	0.2
276.20346	0.2
277.21713	55.7
278.22043	5.6
416.02850	0.2
445.20892	0.9
575.74249	0.2
723.43781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01247	7.3
61.98685	1.3
67.45719	0.5
71.01254	4.5
73.02819	1.2
83.01260	0.9
83.04902	0.7
84.03724	0.5
85.02792	1.2
87.00747	1.3
89.02305	2.5
97.06468	0.9
98.20576	1.3
101.02302	4.3
103.48584	0.5
111.08040	1.2
113.02346	2.4
119.03381	0.6
133.05156	0.5
145.04976	0.7
150.50629	0.5
151.59621	0.5
161.04471	1.4
165.12761	10.0
183.13821	73.7
184.14183	4.4
209.11757	5.9
212.32391	0.5
227.12874	4.7
235.08246	3.7
253.09250	5.5
259.20825	0.6
277.21707	100.0
278.22034	10.4
296.84076	0.5
303.83124	0.6
445.20728	1.5
463.21793	2.4
723.43201	72.8
724.43585	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	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77916	0.2
56.80236	0.2
57.03338	0.2
57.14603	0.2
58.00472	0.2
59.01254	3.5
59.02679	0.2
59.33143	0.2
71.01260	2.5
72.99177	0.2
73.02832	0.4
74.93528	0.2
80.02547	0.8
81.03326	1.0
83.01249	0.4
83.04893	4.0
84.02043	0.6
84.05231	0.2
85.02819	0.7
87.00750	0.5
89.01572	0.2
89.02324	1.8
95.04900	0.4
97.02820	0.2
98.20563	0.5
101.02322	2.0
113.02321	0.9
119.03403	0.4
125.02357	0.2
125.05971	0.5
135.08080	0.5
140.14554	0.2
140.15901	0.2
143.03346	0.2
147.11783	0.3
151.00153	0.2
152.99529	0.2
161.04469	0.8
163.11186	2.7
165.12755	2.3
165.93077	0.2
179.05507	0.5
181.12247	0.5
191.10721	1.0
207.10158	0.3
209.11775	100.0
210.12105	6.2
211.13287	0.7
225.11314	0.6
226.11670	0.3
227.12852	12.8
228.13242	0.9
235.08211	1.5
235.24152	0.2
253.09270	7.4
254.09605	0.4
259.20712	0.3
275.20016	0.3
277.21729	50.6
278.22086	5.5
325.62741	0.2
429.63348	0.2
445.20892	0.9
460.67935	0.2
723.42596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63889	0.4
57.03322	0.4
58.00457	0.6
59.01250	5.3
61.98701	0.4
69.03329	0.6
70.82177	0.8
70.82521	0.7
71.01257	4.6
73.02817	1.4
83.01276	0.7
83.04912	0.4
85.02832	0.8
87.00758	1.2
88.82336	0.4
89.02317	2.7
101.02316	3.2
104.17305	0.4
111.08039	0.6
113.02353	1.7
119.03407	0.8
145.04965	0.4
149.08244	0.4
158.67810	0.4
161.04451	1.2
163.29608	0.5
164.11397	0.4
165.12764	5.0
183.13829	100.0
184.14169	6.2
207.10199	0.9
209.11751	2.8
212.10698	0.4
227.12830	5.7
235.08145	3.1
235.21342	0.5
253.09312	5.0
277.21722	34.9
278.22076	4.4
309.57260	0.4
391.91226	0.5
402.91821	0.4
419.22598	0.7
445.20782	2.4
463.21805	5.1
464.22253	0.8
468.72064	0.5
507.79535	0.5
636.46234	0.4
660.59442	0.5
723.43250	57.0
724.43616	15.0
724.53680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87690	1.2
57.92914	1.2
59.01249	1.9
61.98706	6.9
61.98965	0.9
66.02052	1.0
67.71120	1.0
78.95778	27.8
80.02563	1.2
81.03311	1.4
83.04904	6.3
84.02007	1.8
92.17310	1.1
96.96815	3.3
98.20619	1.7
108.87456	1.0
118.94279	1.1
135.08084	1.4
135.48460	1.1
152.99490	43.4
153.99782	1.4
163.11159	7.1
165.12732	3.6
171.00540	4.3
191.10710	2.0
205.41516	1.2
209.11765	100.0
210.12115	5.7
227.03220	3.9
227.12881	7.7
245.04288	2.8
253.19269	2.0
253.21700	17.1
277.21649	3.2
357.76962	1.4
363.12207	2.5
395.14499	2.3
399.99738	1.3
437.15796	3.6
455.16837	8.3
487.19525	62.2
488.19897	6.6
691.38495	5.3
723.40863	46.2
724.41260	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	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15791	0.2
52.40604	0.2
53.56684	0.2
55.01747	0.4
57.03329	0.3
59.01254	4.3
61.57943	0.2
69.81165	1.1
71.01255	2.6
71.04922	0.3
73.02812	0.5
74.82149	0.2
77.08336	0.2
80.02549	0.9
81.03325	0.9
83.01255	0.5
83.04903	4.6
84.02046	0.6
85.02832	0.7
87.00765	0.4
89.02328	2.2
95.01286	0.2
95.04911	0.8
97.02830	0.2
97.06467	0.4
99.00809	0.2
101.02325	2.4
109.06514	0.2
113.02357	1.4
119.03378	0.2
125.05963	0.2
125.43391	0.2
127.23232	0.2
135.08034	0.6
143.03445	0.2
145.04974	0.4
156.86292	0.2
161.04507	1.0
163.09949	0.1
163.11205	3.6
165.12787	2.2
179.05533	0.4
181.12257	0.4
191.10721	0.7
209.11778	100.0
210.12108	7.2
227.12849	11.1
228.13191	0.7
233.22636	0.2
235.08218	2.9
253.09290	8.8
254.09558	0.6
277.21729	72.3
278.18997	0.4
278.22067	7.8
445.20676	0.7
701.38422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	35.1
61.98707	10.2
62.91893	1.0
63.92814	1.1
65.57813	0.9
71.01254	3.8
71.44820	1.8
73.02826	1.2
78.95780	1.2
85.02868	1.8
87.00766	5.2
97.29115	1.2
98.63365	1.0
99.00816	1.1
101.02312	2.6
113.02335	1.4
119.04987	1.3
123.04404	1.3
125.02254	1.2
133.10550	0.9
134.03592	1.5
135.04407	1.0
135.08029	3.2
137.02374	2.6
147.04439	4.1
149.05995	3.0
150.06799	6.0
163.07558	100.0
164.07906	5.4
171.10252	1.1
179.12727	1.0
183.13863	1.2
211.13387	2.3
221.32141	1.1
253.61623	1.1
279.23239	1.2
317.19492	1.1
343.08148	1.7
346.31064	1.2
420.96603	1.2
457.33453	1.4
460.32214	1.8
475.34305	79.8
476.34665	14.2
499.34198	1.5
511.34845	1.5
517.35535	2.7
538.22430	1.3
546.09845	1.1
606.93036	1.5
619.38464	4.4
679.39154	2.5
723.18903	1.8
723.38721	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	723.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75694	0.6
57.03329	3.8
59.01250	30.6
61.98712	3.3
71.01244	2.2
73.42776	0.5
74.28813	0.8
85.06457	1.7
87.00737	1.7
129.97380	0.8
135.08046	2.6
143.10654	1.6
147.04417	1.8
149.05975	1.1
150.06761	2.8
163.07564	100.0
164.07918	5.2
171.10164	0.9
211.13423	1.8
293.21158	1.1
331.22791	1.5
345.24368	1.3
430.85159	0.7
431.31531	1.2
460.32199	1.7
475.34283	87.8
476.34698	14.6
491.91830	0.7
517.35638	0.9
532.08295	0.8
619.38226	2.9
679.40784	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	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00838	1.5
57.03325	1.7
59.01250	46.0
60.75337	1.4
61.98699	17.5
63.74955	1.4
71.01262	15.3
71.53259	2.4
72.52165	1.6
73.02817	6.9
74.06986	1.4
75.00755	2.8
77.13261	2.0
78.18311	2.0
81.51972	1.8
83.01268	3.2
85.02842	9.7
87.00748	14.7
88.98681	2.6
89.02335	5.3
94.28225	1.4
99.00791	2.2
101.02329	7.7
109.06533	2.3
113.02355	5.7
117.03357	1.7
119.04937	5.3
120.05292	2.0
121.02828	2.1
123.04432	1.4
130.99780	3.3
134.03671	8.8
137.02324	6.3
147.04446	11.7
148.05183	4.0
149.05946	4.3
163.03880	9.8
164.04347	2.7
165.04013	3.8
175.03865	3.0
187.37180	1.9
191.03468	2.5
192.04219	4.0
193.04999	12.2
209.11850	2.8
211.13472	2.6
229.08813	1.9
532.10077	2.1
601.37372	4.8
619.38501	11.3
620.38898	2.8
637.39465	4.8
679.40649	100.0
680.40906	27.4
723.18793	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.1
58.09623	0.2
59.01252	0.8
69.23660	1.7
71.01241	0.7
73.02814	0.2
78.67082	0.2
79.52310	0.2
85.02795	0.3
87.00736	0.5
93.03306	0.3
99.00732	0.2
99.20254	0.2
101.02350	0.3
103.79767	0.1
108.02031	0.2
109.02846	0.2
111.00720	0.2
113.02316	0.2
113.93322	0.2
137.02281	0.3
147.04472	0.2
149.02347	0.3
149.06026	0.2
151.00232	0.3
151.10255	0.2
153.01688	0.2
173.04483	0.5
175.03844	0.2
177.01746	0.3
187.03998	0.3
191.05588	0.4
193.04961	0.3
198.03175	0.5
210.03172	0.7
210.12807	0.2
213.02116	0.2
213.05533	0.3
214.02664	0.2
225.05504	1.1
226.02603	1.3
227.03387	0.6
229.01459	0.4
230.02145	0.5
239.03485	0.4
241.05072	0.8
242.02141	2.0
243.02773	0.3
245.04518	0.3
253.01334	0.3
254.02138	1.7
255.02872	0.7
257.04474	0.4
267.02951	0.4
268.03491	0.2
269.00781	0.3
269.04514	0.6
270.01721	5.6
270.04666	0.4
271.02280	0.8
281.00833	0.6
283.02402	0.8
284.03174	0.9
285.04037	9.2
286.04364	0.7
295.02429	0.3
297.00946	0.3
297.04111	2.0
298.01236	2.6
298.04422	0.3
299.01883	0.5
299.05637	1.4
300.05972	0.3
312.02652	0.6
313.03540	44.0
314.03925	4.0
327.05090	3.0
328.05872	17.9
329.06204	2.0
332.13263	0.4
343.08212	100.0
344.08557	11.2
429.11926	0.5
438.92474	0.2
510.02423	0.2
644.96436	0.2
723.20306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.01254	1.1
64.40028	0.2
71.01260	0.7
73.02818	0.3
75.00764	0.2
76.92508	0.1
85.02834	0.4
87.00750	0.7
89.03844	1.5
93.03354	0.4
99.00761	0.4
101.02348	0.4
106.04115	0.3
113.02329	0.4
117.03353	3.7
119.04901	0.3
132.02060	1.4
133.02913	0.3
134.03635	40.6
135.03912	1.5
137.02350	0.6
145.02983	0.2
147.04405	0.5
149.02382	0.2
149.05997	2.6
150.06308	0.2
150.23691	0.2
151.00250	0.2
160.01573	4.2
161.02136	0.4
163.03882	0.5
173.04482	0.3
175.03929	4.7
175.05470	0.2
176.04303	0.5
177.01961	0.2
178.02647	0.6
187.07564	0.2
191.03581	0.2
191.05493	0.2
193.04996	40.0
194.05330	2.0
198.03128	0.4
201.11212	0.2
202.02780	0.2
209.11748	0.5
210.03127	0.5
211.03874	0.3
213.05386	0.2
214.02489	0.3
215.07004	0.2
223.06166	0.2
223.13406	0.2
225.05447	0.5
226.02603	1.0
227.03394	0.3
229.01343	0.3
230.02150	0.2
239.03432	0.2
241.05052	0.4
242.02211	1.2
243.02667	0.2
245.04561	0.3
253.01260	0.2
254.02240	1.1
255.02863	0.5
257.04370	0.2
267.02847	0.3
269.04520	0.6
270.01688	3.7
271.02243	0.4
281.00992	0.3
282.01547	0.4
283.02460	0.8
284.03333	0.5
285.04044	6.5
285.07196	0.4
286.04272	0.4
297.04028	2.0
298.01135	2.0
298.04230	0.3
299.02078	0.4
299.05560	1.1
312.02646	0.5
313.03537	36.9
314.03864	2.9
327.05069	2.7
328.05862	15.5
329.06143	1.2
342.07495	0.3
343.08209	100.0
344.08557	9.3
409.12976	0.4
411.67453	0.2
467.64441	0.2
470.22687	0.2
519.12610	0.3
547.14691	0.9
548.15033	0.2
623.16809	0.2
679.20331	0.2
710.52844	0.2
723.32153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.5
60.55533	4.7
69.70666	5.4
70.24171	4.3
71.01240	6.4
71.53555	7.2
89.02328	7.1
93.03366	6.6
96.95928	5.5
108.02030	10.3
109.02825	6.9
112.97604	5.3
121.02841	5.7
123.04398	9.9
135.04393	5.9
146.03593	9.7
147.04378	9.4
159.04427	90.2
160.05168	17.3
161.05981	26.7
167.72523	4.8
173.02359	8.0
173.04654	7.6
173.06013	40.3
187.03990	7.9
191.05508	24.1
203.03406	8.2
217.01346	9.0
241.04892	15.2
243.48311	5.1
251.07065	9.6
254.05913	6.4
256.07483	5.3
266.05835	7.9
267.06656	31.1
268.07303	5.7
269.08252	6.6
271.09778	7.3
276.05722	5.7
279.06592	17.8
280.07315	13.6
281.08154	23.0
282.08987	50.3
295.09631	7.6
297.11325	81.2
306.05368	6.6
307.06247	41.8
308.06778	42.8
321.07556	10.1
323.09128	57.5
341.10400	26.9
367.08109	22.9
385.09497	11.8
393.06064	16.4
413.12424	12.4
457.11212	18.4
483.09204	13.1
543.11383	12.4
559.14105	8.3
585.12531	9.2
663.15607	9.0
705.16925	8.6
723.17670	100.0
724.17975	16.5
754.52625	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	723.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24013	0.5
57.07328	0.6
59.01254	0.8
61.98700	12.9
65.03838	2.2
67.01717	0.6
71.24471	1.2
73.78699	0.6
75.13746	0.5
77.01610	0.6
78.95773	5.0
81.12089	0.5
83.04926	0.6
85.02881	0.6
87.72005	0.6
91.05407	10.2
92.75248	0.5
93.03344	2.5
97.60030	0.5
100.85712	0.6
104.34319	0.5
105.85918	0.6
107.09968	0.5
108.02063	1.4
109.02831	16.3
109.58079	0.5
119.04883	0.6
121.02843	6.1
135.04414	83.6
136.04738	3.3
138.03110	2.5
147.04427	9.7
149.02304	1.9
152.99504	5.9
153.05470	4.9
154.82092	0.6
163.11217	0.8
164.04680	3.4
177.05482	0.8
179.07045	7.8
182.39992	0.6
185.05922	0.6
185.11760	0.7
199.13295	1.0
207.07275	0.6
207.10143	1.1
209.09875	1.2
209.11760	15.3
210.12090	1.3
223.76875	0.6
227.07092	1.7
227.12862	3.0
242.09325	0.7
253.09317	0.7
253.21704	3.2
254.05905	1.6
255.06447	0.8
269.08185	3.1
271.06143	1.6
277.21738	6.0
278.22141	0.7
286.08618	0.8
293.21402	0.9
301.10806	100.0
302.11157	10.5
445.15262	0.9
455.16837	2.0
469.15588	0.7
487.19519	9.9
723.40765	8.1
724.40735	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	723.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79710	0.3
59.01252	15.8
60.38354	0.3
61.98693	1.5
68.87807	0.3
69.44591	2.8
71.01243	1.0
72.99163	0.4
77.03912	0.3
85.02831	0.6
87.00747	1.0
88.98693	0.6
98.19849	0.8
101.02354	0.4
113.02314	1.1
116.69061	0.4
121.02847	100.0
122.03194	3.7
133.02824	2.7
137.02357	0.5
147.04414	0.5
161.04463	0.4
197.11723	1.9
211.13388	0.5
239.10733	4.4
240.11079	0.5
277.01907	0.4
289.18246	1.1
515.18793	1.7
516.20020	0.4
574.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28441	0.6
59.01251	15.6
60.13882	0.6
69.03352	0.9
71.01258	9.6
72.99189	0.6
73.02814	1.5
74.20377	0.6
81.03348	2.0
83.01277	1.8
83.04902	2.0
85.02835	2.6
87.00741	1.6
87.99258	0.6
89.02316	3.7
95.01260	1.8
95.04915	2.3
97.02844	4.6
99.00778	1.3
101.02312	7.6
109.02858	0.8
109.06479	13.9
110.03623	2.0
111.04418	0.8
113.02317	3.9
119.03403	1.1
123.04473	0.9
125.09718	0.9
135.08066	1.9
142.02652	1.0
145.04985	1.5
152.99545	0.9
161.04485	2.1
161.09598	1.4
163.11205	11.1
169.12302	0.8
179.05565	0.8
179.10619	1.7
181.12280	2.0
187.22398	0.7
189.09135	5.4
207.10204	49.9
208.10568	3.8
209.11763	1.6
225.11278	69.7
226.11583	4.2
229.38290	0.8
235.08211	9.1
236.08437	0.8
253.09261	14.5
257.50720	0.7
277.21725	100.0
278.22028	8.8
278.80936	0.7
299.14893	0.8
443.19196	7.3
461.20334	13.3
462.20428	1.6
467.31430	0.7
703.39978	0.8
721.29041	1.2
721.41669	23.8
722.42163	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	723.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71727	0.7
57.03313	0.8
59.01251	11.2
61.98707	5.7
63.02287	0.7
65.00195	2.2
65.55746	0.7
67.02750	0.7
69.27779	1.7
69.28192	4.2
71.01260	4.7
72.99187	1.3
73.02799	1.6
75.00751	1.7
80.96380	0.6
83.01247	2.3
85.02821	1.7
87.00752	10.9
89.02352	1.0
91.05410	1.0
93.03339	1.2
95.01250	0.8
97.97173	0.6
98.19839	1.7
99.00776	1.0
101.02331	1.7
107.01299	1.1
109.02848	1.8
113.02338	1.9
119.04907	2.5
120.45692	0.7
121.02840	2.7
122.03568	0.7
123.04436	0.7
124.01548	0.9
125.02357	1.0
130.99733	1.8
132.02045	1.8
133.02829	1.2
134.03639	7.1
135.04359	1.0
137.02357	4.7
139.03886	0.7
145.02872	3.6
146.03531	0.7
147.04420	7.9
148.01459	1.0
148.05132	2.3
149.02405	0.8
149.06000	3.8
150.03046	0.8
151.00255	2.8
159.04411	1.5
160.01558	3.3
161.04514	0.8
163.03906	3.6
163.07570	0.7
165.04094	0.7
165.05467	1.1
172.05191	1.6
173.05908	1.6
174.03140	3.2
175.03914	5.7
178.02609	1.5
179.03464	1.2
183.04440	1.2
184.50124	0.7
185.05975	1.0
186.06714	0.9
187.03940	1.1
187.07623	0.9
188.04681	1.1
189.05577	3.7
191.03400	2.0
192.04185	2.2
193.04990	10.8
194.05310	1.4
196.05241	1.0
197.06006	1.2
198.03197	2.9
199.07550	0.9
200.04665	0.9
201.09143	1.3
203.03464	0.7
207.02902	0.9
209.11684	1.3
211.04019	1.3
211.13341	2.4
212.04686	1.2
213.05534	2.3
214.02721	4.0
215.03421	1.6
215.07138	1.1
216.04182	7.5
217.04967	0.8
218.02095	1.7
226.11652	0.8
227.03400	1.4
231.06590	13.3
232.07126	0.8
237.03839	0.8
240.04274	3.5
240.13126	0.7
255.02997	1.6
255.06636	1.0
256.03879	0.9
267.06970	0.9
268.03821	1.0
283.06052	1.5
284.03244	17.9
285.03738	1.9
297.15002	0.8
299.05606	100.0
300.05960	8.9
313.03540	3.0
313.07037	1.3
321.07684	1.0
328.06000	1.5
343.08255	5.5
365.06549	1.2
427.13339	1.3
487.10324	1.3
503.11932	0.8
504.11948	0.9
504.56113	0.9
661.19031	1.2
723.19116	2.9
723.31824	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59756	0.8
54.33569	0.8
55.02553	0.7
57.03308	1.3
57.37713	0.8
59.00957	1.0
59.01252	19.0
61.98700	1.4
64.96293	0.8
71.01255	7.8
71.44843	1.0
72.99142	0.9
73.02818	1.1
79.06601	0.8
81.03322	2.9
83.01273	1.0
83.04883	3.0
85.02805	1.9
87.00749	1.1
89.02322	4.8
93.03367	0.8
95.04898	1.9
97.02814	6.4
99.00757	1.9
101.02333	6.5
106.04095	0.8
109.06483	30.8
110.03599	1.3
110.06779	1.1
111.04385	1.3
113.02355	4.6
119.03384	1.5
121.06462	1.7
135.08034	4.5
136.05226	1.5
142.02655	2.1
145.10168	1.2
156.28094	0.8
161.04504	1.7
161.09615	2.4
163.11189	20.2
164.11520	1.3
179.05577	1.6
179.10660	2.0
181.12321	4.8
189.09184	5.6
207.10216	100.0
208.10518	5.4
209.11761	2.9
225.11282	82.0
226.11647	4.4
235.08183	3.8
243.12477	1.0
253.09245	15.1
277.21719	81.2
277.66077	0.8
278.22125	8.2
299.15005	1.3
369.35394	0.9
397.54755	0.7
415.45920	0.9
441.33701	1.8
443.19232	8.0
444.19882	1.0
459.96014	0.9
461.20313	22.1
462.20761	1.6
721.41754	31.3
722.42236	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
58.00463	0.5
59.01251	100.0
59.29228	0.4
59.51174	0.4
60.01606	0.8
60.23930	0.4
60.44899	0.4
61.98698	3.5
69.87618	2.0
71.01252	8.4
72.99165	1.0
73.02815	3.1
75.00754	0.6
78.95760	0.7
83.01259	1.8
85.02821	3.6
85.03207	0.4
87.00742	2.0
87.64899	0.5
89.02312	3.9
95.01304	0.7
98.19827	0.5
99.00800	0.7
101.02313	4.5
101.02810	0.4
113.02323	4.1
117.03364	1.9
119.03404	1.6
119.04913	8.4
121.02882	0.7
125.02348	0.5
133.02884	1.7
134.03702	0.8
135.04456	0.4
137.02333	0.9
145.02869	4.3
147.04428	1.2
147.76622	0.4
149.04529	0.5
161.04457	2.2
163.03917	13.1
163.07561	0.5
164.04312	0.5
173.05896	0.5
175.03993	0.9
192.04288	0.5
193.05011	0.8
209.11826	1.2
210.89070	0.4
211.13246	0.9
221.06834	0.6
239.10841	1.2
293.21353	0.6
437.34335	1.2
455.35580	0.5
617.40930	2.0
635.41577	4.4
636.42151	1.5
659.97864	0.5
677.42700	20.8
678.42999	4.9
721.32202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78100	0.1
59.01250	2.8
61.98680	0.1
71.01256	1.7
71.41970	0.1
72.99164	0.2
73.02824	1.2
73.36211	0.1
83.01273	0.2
85.02818	0.7
85.77650	0.1
87.00756	0.5
89.02312	1.4
89.03827	1.2
93.03350	0.2
95.01267	0.2
97.02814	0.2
99.00760	3.1
100.26585	0.1
101.02341	0.8
106.04114	0.4
107.04935	0.2
110.43925	0.1
113.02341	1.1
113.85048	0.1
117.03353	4.8
119.03458	0.2
119.04929	0.3
120.77842	0.1
125.02372	0.2
127.23571	0.2
131.03357	0.4
132.02071	2.6
133.02809	0.2
134.03633	80.3
135.03960	3.5
137.02338	0.4
139.03981	0.2
147.04399	0.2
149.04559	0.5
149.05991	6.8
150.06323	0.2
155.03406	0.2
160.01578	9.3
161.01970	0.4
161.04498	0.2
173.04454	0.5
173.05840	0.1
175.03923	11.0
176.04166	0.3
178.02631	1.1
191.03506	0.2
191.05515	0.7
193.04993	100.0
194.05324	4.7
203.05588	0.2
209.11794	0.3
233.06346	0.2
235.05856	0.2
265.07214	0.2
267.06549	0.2
279.06488	0.2
294.08804	0.2
305.49100	0.1
308.00427	0.2
318.12506	0.1
319.02579	0.1
337.09351	0.3
340.29718	0.1
341.10385	0.2
343.08084	0.3
353.10336	0.8
367.10275	0.3
485.23807	0.5
527.17194	0.2
527.25116	0.1
596.96033	0.2
610.76282	0.2
661.28217	0.2
679.29559	1.4
680.30084	0.3
721.30719	3.9
722.31226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.00264	0.3
57.03339	0.4
59.01249	6.8
61.98708	1.2
71.01251	4.3
72.99173	0.4
73.02806	2.3
75.00730	0.7
77.76508	0.3
78.95828	0.3
83.01250	0.4
85.02836	1.3
87.00751	3.2
89.02334	1.6
89.03849	1.7
95.01261	0.5
96.95902	0.4
97.02854	0.4
99.00753	4.7
101.02325	2.0
106.04111	0.5
109.02837	0.4
109.53711	0.3
111.00760	0.5
113.02294	2.0
117.03334	4.8
119.04906	0.7
119.16992	0.3
121.02851	1.1
125.02320	0.6
130.99786	0.5
131.03406	0.5
132.02063	2.9
133.02820	1.0
134.03632	83.5
135.03912	3.0
137.02292	1.6
139.03947	0.8
143.03401	0.7
146.74188	0.3
147.04422	5.1
148.05023	0.5
149.02284	0.5
149.04636	0.5
149.05988	8.1
155.03471	0.4
156.00847	0.3
159.04398	0.7
160.00227	0.5
160.01570	10.5
161.02054	0.4
161.04460	0.5
163.00317	0.4
163.07558	0.4
165.05463	0.3
172.05197	0.3
173.05917	0.6
175.03931	12.5
176.04367	0.6
178.02652	1.5
191.03491	0.6
191.05496	0.6
192.04228	0.9
193.04991	100.0
194.05321	6.0
197.51463	0.3
201.09256	0.6
203.03412	1.2
203.05447	0.7
209.11812	1.5
211.13371	0.6
221.08176	0.8
225.11339	0.5
225.31897	0.3
229.08603	0.4
235.06021	3.0
262.73416	0.3
265.07129	5.0
267.06467	0.3
295.17017	0.3
307.08255	3.4
323.07788	0.5
325.09244	2.8
343.08011	0.6
350.10022	0.4
367.10379	5.7
368.10645	0.6
409.11292	0.6
679.29822	2.3
689.33734	0.5
720.77930	0.4
721.30566	3.0
722.31470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
56.93243	1.5
57.03333	7.0
59.01254	18.9
61.98686	2.2
70.44928	1.6
71.01257	24.5
71.54176	1.8
72.36799	1.6
72.99174	6.3
73.02823	2.7
73.07782	1.4
75.00751	23.0
78.29118	1.3
80.98722	1.3
81.63084	1.5
83.01252	2.6
83.04887	1.4
85.02822	31.4
87.00751	16.6
89.02323	5.7
91.03896	2.4
93.03347	2.5
95.01247	6.3
95.04911	4.9
96.95859	1.6
97.23872	1.6
97.56934	1.3
99.00771	12.0
103.00256	4.1
108.02058	1.7
109.02867	1.7
111.04398	1.7
113.02333	34.5
113.05930	3.7
115.00210	2.8
115.03876	1.7
117.01807	4.6
117.03387	3.8
117.70127	1.7
119.04885	2.9
121.02853	2.9
122.03555	2.4
123.08090	2.2
128.10529	1.5
129.01837	2.2
130.99796	1.7
132.02115	1.7
133.02847	5.2
134.03644	60.0
135.03905	1.4
135.04492	1.4
147.04410	2.8
149.02280	1.7
149.05963	6.7
160.01596	11.1
161.02374	3.7
163.03905	2.5
165.03975	2.4
175.02498	3.6
175.03914	12.0
177.01848	1.8
179.03532	1.8
189.09123	1.5
189.12819	8.8
193.03632	1.9
193.04996	41.6
194.05440	2.3
207.04964	1.7
211.13341	3.9
212.13528	1.7
231.05086	1.7
232.61646	1.5
249.06107	22.4
251.12885	9.8
267.07132	49.4
268.07404	3.1
269.72739	1.5
295.11865	2.5
330.04675	1.7
343.08163	1.5
381.11630	2.8
425.10709	4.4
443.11938	79.1
444.12405	7.3
545.18890	14.7
546.19043	2.6
635.45667	1.5
703.27734	8.4
721.23438	100.0
722.23785	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88987	0.1
55.19463	0.1
59.01251	7.3
61.98703	1.3
67.05488	0.1
71.01257	1.3
71.54236	0.1
72.99179	0.4
73.02808	0.4
79.95611	0.2
80.96394	1.0
83.01250	0.2
85.02824	0.5
86.89259	0.2
87.00761	1.1
89.02307	0.3
93.03362	0.9
94.97921	0.1
95.01297	0.1
97.02825	0.2
99.00765	0.5
101.02333	0.7
112.13058	0.2
113.02321	1.1
117.03349	5.9
118.03677	0.3
119.04919	59.8
120.05249	2.3
121.02823	0.7
123.04413	0.3
125.02316	0.3
133.02855	7.6
134.03369	0.1
135.04410	0.3
137.02310	0.4
145.02859	15.4
146.03195	0.6
147.04387	0.6
147.44046	0.1
148.05182	0.2
161.04474	0.2
163.03920	100.0
164.04256	4.7
167.03502	0.2
176.12395	0.2
191.03441	0.2
192.04167	0.2
193.04962	0.4
199.07632	0.1
209.11827	0.3
211.13435	0.2
223.07680	0.2
224.08267	0.3
225.00714	0.3
239.10738	9.1
240.11061	0.6
270.05612	0.1
285.07590	0.2
286.08276	0.3
515.19208	1.0
516.19818	0.2
522.97144	0.2
533.19928	0.2
575.20923	0.7
635.41492	0.3
677.42377	0.5
720.84314	0.2
721.33063	0.8
722.26074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.9
59.01254	50.9
61.98702	36.8
71.01255	15.7
71.04853	4.2
73.02825	5.3
85.02821	5.8
85.34400	3.7
87.00765	26.4
89.02296	5.7
95.01283	4.4
99.00716	5.9
101.02322	12.4
107.01218	7.1
108.02058	8.9
109.02802	4.2
111.00716	4.6
113.02319	5.8
117.03392	4.1
119.04930	5.3
121.02837	6.9
123.00753	6.3
134.03622	7.4
135.00713	4.3
137.02309	7.8
145.02821	3.9
147.00716	4.4
147.04422	13.9
149.05945	8.1
151.00275	10.4
151.03926	6.5
153.86423	3.7
161.02338	6.4
163.00252	5.6
163.03812	7.1
165.05486	4.3
172.05226	4.8
175.03758	6.7
177.01846	11.6
185.02307	3.7
187.07492	9.2
187.11234	3.7
189.09001	4.6
192.04218	6.9
193.04942	15.0
194.05418	3.7
201.09164	9.9
203.03340	4.9
209.11807	6.7
211.13403	4.5
213.01991	5.9
215.07129	7.6
217.01326	5.7
223.13344	11.8
229.01537	5.6
229.08652	7.8
242.02254	4.7
245.08237	5.5
255.02844	4.6
269.04102	4.2
270.01746	6.5
271.02301	4.8
282.01758	4.2
285.03995	12.2
298.01135	5.9
299.02112	4.7
299.05652	5.5
313.03522	42.9
325.03687	4.2
327.05078	5.9
328.05896	18.5
329.06747	6.1
343.04620	6.2
343.08215	45.5
344.08521	7.0
349.03235	6.2
350.03995	5.0
351.05017	5.3
353.02948	9.9
357.06061	9.7
361.03500	10.3
373.05771	4.6
375.07166	9.2
377.03067	12.7
379.04462	10.7
383.07706	17.4
389.02811	5.0
407.03592	8.4
409.09332	17.3
418.03284	7.1
419.03860	11.3
435.07510	7.9
436.07565	4.9
437.08737	11.9
448.08395	4.2
449.08783	6.6
453.08194	5.5
463.06711	39.8
464.07181	13.0
465.07941	10.9
466.08548	4.6
481.07681	16.0
491.05594	5.6
493.07626	10.8
508.06259	11.5
543.22546	10.1
581.10602	7.5
625.09637	6.1
627.14966	5.2
629.17242	5.1
645.15863	6.8
653.08789	10.6
655.13776	11.9
657.12567	9.2
670.13208	15.9
671.13110	12.3
673.15454	14.9
673.31006	13.3
683.13672	21.7
684.14716	26.7
685.14526	39.8
686.14728	6.6
689.14899	14.9
699.13269	6.3
716.44312	6.6
717.14709	100.0
718.14709	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	717.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
58.21006	1.1
59.01242	5.8
61.98698	1.8
63.92616	1.2
67.52925	1.2
70.81468	1.3
70.81786	1.8
71.01241	5.7
71.04922	2.5
81.26749	1.3
89.02292	2.4
95.01231	1.7
97.02826	3.5
99.00760	9.9
100.88052	1.3
101.02314	3.5
104.42637	1.1
122.78363	1.6
125.09651	6.8
125.10410	1.4
129.76401	1.3
140.70631	1.2
163.11209	6.1
171.10184	2.2
171.21283	1.3
179.03516	1.6
181.12277	9.3
199.13353	8.2
207.10233	19.3
225.09238	2.5
225.11292	31.1
235.08226	3.1
243.12302	4.4
253.09187	2.6
255.23289	74.2
256.23602	7.5
286.84180	1.4
461.20477	1.8
468.65970	1.5
491.32834	1.6
555.28906	1.3
699.43488	5.0
717.44318	100.0
718.44769	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	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03320	1.6
59.01252	8.8
61.98704	14.6
69.03327	6.1
70.67920	0.7
71.01262	6.8
71.04886	2.5
72.99149	0.9
73.02825	1.5
80.02546	1.9
81.03324	1.9
83.01256	1.2
83.04913	4.7
84.02047	1.9
85.02823	1.6
87.00759	9.0
89.02316	4.0
90.68665	0.7
93.03294	1.1
95.04896	1.3
96.95905	1.3
97.06419	1.3
98.20598	1.0
99.00777	2.6
101.02328	4.3
102.42168	0.6
102.47184	0.7
111.08012	0.7
112.66156	0.7
113.02346	4.1
117.03265	1.0
119.03396	0.8
119.04913	2.1
120.43808	0.7
121.02833	1.1
123.04398	1.4
123.08079	1.0
125.09602	2.7
127.81248	0.8
130.99736	2.4
134.03636	10.1
137.02347	2.0
139.00424	0.9
139.03903	1.4
145.02824	0.9
147.04395	3.2
148.05159	1.3
149.02318	0.9
149.05994	2.7
151.11214	2.2
153.12723	1.7
160.01616	1.7
161.02246	1.0
161.04486	1.4
161.09648	5.2
163.03926	1.8
163.11237	5.0
165.04099	0.8
165.05434	1.2
165.12711	1.7
175.03908	3.1
175.07556	1.1
179.10707	9.0
181.12245	1.0
188.04659	1.0
191.03424	1.5
192.04167	1.1
193.04994	14.0
194.05490	0.9
197.11768	74.6
198.12161	3.6
200.08316	0.8
201.09140	0.8
209.11777	55.4
210.12112	3.0
211.13387	1.2
218.02065	1.5
219.03076	1.0
227.12787	4.1
241.10735	4.9
243.10243	1.1
253.09273	3.9
284.03137	0.9
313.03516	1.4
343.08148	1.3
477.19754	3.3
493.07791	2.3
687.32300	100.0
688.32703	20.6
701.20667	1.6
719.35223	20.5
720.35797	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99159	0.1
59.01263	0.2
61.98704	100.0
62.18412	0.1
62.98407	0.1
68.67946	0.1
69.51501	0.2
69.51907	0.4
71.01260	0.1
86.86053	0.1
89.02313	0.1
101.02271	0.1
102.84554	0.1
132.07291	0.1
145.68085	0.1
153.49139	0.1
167.52644	0.1
176.28117	0.1
227.11743	0.1
255.23361	0.1
256.23743	0.2
257.23895	0.1
378.03152	0.1
398.14322	0.1
399.14023	0.2
400.14490	0.1
681.19043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85201	0.1
56.01485	0.1
59.01254	0.2
59.68345	0.1
61.98706	100.0
62.98415	0.3
62.99125	0.1
65.00719	0.1
67.58089	0.1
69.35477	0.6
69.35908	0.1
71.01274	0.2
86.01625	0.1
89.02325	0.2
90.21285	0.1
101.02385	0.1
115.58870	0.1
147.59523	0.1
159.39754	0.1
191.92157	0.1
208.99596	0.1
209.11684	0.1
255.23366	0.3
256.23636	0.2
257.24084	0.1
277.21832	0.1
376.45425	0.1
397.13809	0.1
398.14026	0.1
399.13934	0.4
400.14471	0.2
417.15186	0.1
489.53674	0.1
707.24921	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92033	3.3
71.53537	4.5
78.56989	3.0
78.99884	3.2
83.93516	3.0
87.00752	19.3
99.00765	4.3
109.02821	6.8
149.02301	4.1
163.03957	6.2
167.21155	3.2
185.05936	3.4
187.03923	7.4
191.05547	5.9
213.05537	5.0
227.03406	6.0
229.05031	6.4
241.39897	3.3
255.03023	6.4
255.06625	4.2
256.00262	4.9
257.04483	4.6
258.01743	5.2
269.01144	3.5
271.02469	5.1
273.04059	10.7
281.04523	4.1
299.05569	5.6
301.03650	4.4
306.19696	3.5
340.34601	3.3
343.04593	4.3
365.06628	6.9
375.05090	7.4
393.06052	16.6
394.06808	5.5
408.04108	3.1
419.04153	6.8
422.06378	49.9
423.07120	26.0
448.07953	8.0
449.08560	4.9
464.07236	4.8
495.06018	9.2
497.31354	3.3
519.05981	4.6
551.31555	3.5
555.07764	22.8
556.08374	4.0
585.12341	14.3
586.13062	4.4
627.13379	4.6
629.24512	3.4
655.13354	4.5
657.11005	20.2
681.10754	6.2
717.12958	100.0
718.12994	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	717.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30908	4.4
56.71406	4.7
57.03317	9.2
59.01253	100.0
59.34100	4.1
61.98698	40.9
62.12931	5.2
69.03333	6.8
71.01254	29.0
71.53799	7.5
73.02813	10.1
75.00725	5.9
79.15225	5.4
83.01233	4.6
85.02823	14.4
87.00748	98.5
89.02319	13.8
93.03359	7.0
95.01247	8.4
96.95894	10.5
97.80840	4.7
99.00745	33.8
101.02329	13.9
107.04881	7.0
108.02073	10.7
109.02836	10.7
111.00749	10.3
113.02345	12.5
119.04925	6.2
120.58510	4.9
121.02846	10.3
123.00769	8.2
123.04385	23.3
124.01521	5.5
125.02338	13.8
130.99751	16.3
133.02808	6.3
134.03636	45.8
135.00688	6.7
135.04405	7.4
137.02330	13.5
139.00259	5.6
139.03931	5.4
145.02838	9.9
146.03574	5.8
147.04416	20.8
149.02298	6.2
149.06007	23.9
151.03928	8.5
152.01062	7.6
158.03552	4.8
159.04430	7.1
160.01563	10.1
161.02330	13.4
161.04408	5.6
161.09630	7.7
162.03127	5.9
163.03897	17.4
165.03973	10.0
165.05457	10.8
172.05202	9.8
173.06007	7.0
174.01576	7.8
174.03076	7.5
175.03922	15.0
177.01828	11.9
184.24030	6.3
185.02365	6.5
186.06885	5.5
187.03915	5.6
187.11221	10.4
191.03401	9.6
191.05539	7.7
192.04201	11.6
193.04982	46.1
194.05400	6.2
199.03961	5.3
199.07603	5.8
201.05571	8.2
201.09128	12.1
205.12088	8.6
207.10056	5.0
209.11742	7.4
211.13287	10.1
213.02007	5.7
214.06190	6.6
214.81895	5.0
215.07053	4.9
217.01370	5.7
217.63763	4.8
218.02087	7.3
223.13298	18.1
224.13657	10.1
225.05486	5.6
226.02641	5.4
227.03688	6.5
227.07014	7.0
243.10204	8.7
244.10681	6.2
249.11430	7.0
253.01186	6.2
255.02861	11.2
255.05103	32.8
267.12323	8.5
269.00894	8.3
270.01660	6.3
271.02359	14.3
275.09195	6.2
285.00574	5.7
285.03964	13.0
286.04843	5.8
287.71649	6.9
289.06979	5.9
297.00287	6.6
298.01239	8.2
299.01935	8.8
299.05176	6.9
300.02472	5.9
301.03409	10.2
313.00177	10.9
313.03506	67.6
314.04175	10.4
321.03928	8.6
327.05148	6.7
328.02310	9.0
328.05670	28.7
329.02957	10.7
329.06720	15.6
331.08298	8.9
335.01855	8.2
337.03555	5.9
343.04520	12.3
343.08197	88.1
344.08698	8.9
345.06152	9.8
347.02145	5.7
348.03000	5.3
349.03656	9.7
351.05130	10.3
357.06259	14.1
359.07642	20.7
359.27939	11.5
361.03659	9.5
373.05798	49.0
374.06348	8.3
375.07266	37.7
377.02744	8.7
379.04443	13.7
389.02927	8.3
392.05191	7.2
395.07922	6.5
399.07877	6.3
409.09387	10.7
421.17368	11.7
422.17813	8.5
433.01837	11.4
434.02170	5.4
435.07037	8.3
449.08865	14.2
463.06653	40.0
464.07086	16.5
465.08118	14.6
467.09686	9.1
481.07651	21.0
489.04715	10.4
491.06219	14.6
492.07083	22.2
493.07318	12.0
507.05820	28.1
508.06470	41.3
509.06799	6.3
543.22357	42.5
544.22418	6.1
627.15479	5.5
653.09473	16.3
654.09711	7.0
670.12286	9.3
671.13495	5.6
672.29431	21.9
673.15912	17.2
673.29816	29.2
674.16174	5.5
685.11975	7.4
687.28455	6.7
689.14673	6.4
699.21124	6.0
717.13446	42.5
717.34149	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	715.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.8
59.01251	100.0
61.98706	10.9
70.83717	1.0
71.01261	17.5
71.54251	1.4
72.99195	2.1
73.02824	12.6
75.00729	3.0
78.95767	1.8
82.53158	1.2
83.01257	2.4
83.04893	3.0
85.02840	4.4
87.00751	32.0
88.01119	1.2
89.02319	14.9
95.01257	1.6
96.95922	2.6
97.06485	4.0
99.00761	30.5
101.02347	10.0
107.04893	8.4
108.02087	6.0
109.02852	2.3
111.00739	1.2
113.02318	10.0
120.05687	2.9
121.02843	5.1
123.04414	3.6
125.02323	2.4
130.99770	4.7
131.03401	4.3
133.02927	1.7
134.03621	12.1
135.04411	4.3
137.02356	2.5
139.03932	1.8
144.05551	1.3
145.02852	2.4
146.03720	1.5
147.04405	4.4
149.02386	1.6
149.04475	7.3
149.05968	5.3
151.03886	1.3
152.01082	5.6
152.04735	2.5
153.01837	1.3
159.04381	2.4
160.01585	4.0
161.02316	2.3
161.04474	3.5
161.09647	16.7
161.13232	11.4
163.03923	3.0
163.11200	7.7
164.04636	1.3
165.18695	1.8
175.03889	6.0
175.07536	1.3
179.03519	1.5
179.10728	1.9
187.11212	22.8
189.09103	9.7
191.03906	1.2
191.05542	9.1
193.04991	14.0
200.17293	1.2
203.05536	3.1
203.10698	2.3
205.12277	18.3
206.12627	1.6
207.02879	1.4
207.10214	12.4
211.13422	1.5
219.03008	1.4
223.13353	34.3
227.10652	1.5
229.08649	1.6
249.11299	21.8
255.05132	1.4
267.12390	14.4
299.01950	1.5
313.03656	2.4
343.08130	3.3
349.09286	1.5
379.16202	3.7
383.07224	1.4
389.26584	1.4
421.17139	30.8
422.17426	3.0
423.24188	1.2
491.72449	1.1
551.34052	1.2
627.15271	1.8
643.14709	2.0
671.29175	66.0
672.29547	12.0
715.22119	10.0
715.33942	3.9
716.23041	2.4
717.71027	1.6
728.80237	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	713.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96156	1.3
57.03329	1.5
59.01249	100.0
59.54129	1.3
61.98702	13.3
69.03329	1.1
71.01251	15.7
71.54541	1.4
72.99168	2.1
73.02823	4.6
75.00742	3.2
78.95776	1.6
81.86301	1.1
83.01221	2.0
85.02822	8.1
85.65876	1.1
87.00757	7.7
89.02322	9.2
95.01237	1.4
95.04922	1.3
95.61658	1.3
99.00773	1.5
101.02312	9.3
101.54670	1.4
109.02823	1.5
111.00743	1.2
113.02315	6.3
119.03350	1.5
119.04937	2.3
120.13034	1.2
121.02852	5.2
125.02312	3.1
125.09634	1.2
133.02866	1.4
134.03661	5.7
135.04422	3.3
137.02330	2.9
139.03911	1.3
145.02744	1.4
147.04401	4.9
149.02299	1.6
149.05962	3.0
149.09639	1.7
160.01590	1.9
161.04414	2.1
163.03891	3.4
164.04572	1.4
165.05473	2.9
171.10219	3.4
173.05975	1.5
175.03989	2.1
179.03397	1.3
183.10188	1.8
190.02600	2.0
192.04239	2.8
193.04973	5.8
205.04948	1.5
209.11722	4.5
211.13223	2.8
223.05902	1.8
223.13339	3.5
227.12831	2.2
249.15001	1.6
253.09293	1.3
299.05591	1.6
301.10651	1.4
301.14023	1.4
339.16190	1.3
343.08240	3.0
480.33337	1.4
509.19745	1.8
514.89679	1.4
541.52490	1.3
651.40961	2.3
669.42188	88.8
670.42584	20.3
695.37280	1.6
713.41797	27.3
714.41724	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	715.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.9
58.00456	1.3
59.01249	11.9
61.98705	23.9
67.78683	1.2
69.03306	1.4
70.08411	5.5
71.01257	11.5
72.26209	1.3
72.99173	1.8
73.02827	2.8
82.93756	1.2
85.02831	5.5
87.00758	16.7
89.02322	5.5
93.03329	2.7
98.19846	1.4
99.00766	2.0
101.02324	6.7
108.02038	3.7
109.02823	3.8
111.00785	1.6
113.02323	4.5
119.03373	1.8
119.04874	3.3
121.02811	2.4
123.04416	2.9
125.02324	1.4
133.02838	2.5
134.03619	2.9
135.04387	3.4
137.02328	6.6
139.03908	1.2
145.02855	2.5
146.03645	3.9
147.04427	20.3
148.05179	2.9
149.02391	2.5
149.05972	4.5
152.01038	4.4
159.04427	14.1
160.05148	4.2
160.09708	1.4
161.02383	2.9
161.04504	1.9
161.05986	5.5
162.03073	1.4
163.03961	3.0
164.04619	1.3
165.05469	2.1
171.04411	1.6
172.05237	9.7
173.04568	2.6
173.05986	21.7
174.03160	5.1
174.06799	6.8
175.03935	5.4
175.07533	3.0
176.04601	1.9
177.01787	2.2
183.04446	6.4
185.06049	8.3
186.06802	7.2
187.03938	10.7
187.07574	8.5
188.04721	3.0
188.08282	2.1
189.05551	7.9
189.09195	1.9
191.03529	2.1
191.05528	4.8
193.05019	3.5
196.05180	1.9
197.06044	9.3
198.06784	8.2
199.07538	4.3
200.04605	2.0
200.08337	4.6
201.05530	15.5
201.09157	4.1
209.06041	1.4
211.07556	2.2
211.13324	3.2
212.08366	2.3
213.05470	1.9
213.09116	1.8
214.06294	1.7
215.07100	5.6
215.77428	1.3
216.07890	14.9
217.04951	1.6
217.08478	1.9
218.05801	2.7
219.10278	1.7
226.09886	2.2
227.10718	4.2
229.08678	1.3
241.12247	1.8
242.05920	2.4
245.11855	2.2
253.09218	1.4
255.13899	1.6
260.06915	1.3
267.13870	3.0
283.06152	1.5
283.13474	3.8
285.14975	5.6
295.17163	1.7
297.06036	1.7
297.14972	48.5
298.15320	5.0
300.02374	1.3
300.13577	7.0
301.14279	3.5
304.66367	1.3
311.13062	7.0
311.16025	1.6
313.18066	3.9
315.16080	11.2
318.14703	1.4
323.16504	22.2
324.16916	2.1
325.05756	3.7
329.13928	2.7
333.09830	4.2
341.13474	2.0
341.17548	40.8
342.17807	3.7
343.08395	2.1
351.10867	6.1
359.18716	6.6
360.19174	1.3
367.15607	2.4
373.20331	2.5
383.13678	3.1
385.16559	4.0
391.21375	1.6
403.17361	1.9
456.92993	1.4
505.18567	1.5
536.22498	2.1
565.22760	1.6
577.26685	2.7
595.27570	11.8
596.28052	1.8
621.25629	4.3
627.30237	2.9
639.26581	23.8
640.26862	4.6
653.28259	4.2
665.23969	2.1
671.29163	7.6
672.30151	2.2
679.26385	1.7
683.25574	10.6
697.27209	39.8
698.27502	6.6
715.28186	100.0
716.28564	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	711.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48393	1.2
57.03327	7.5
59.01253	27.4
61.98703	19.8
65.00196	1.8
65.03834	2.5
67.01763	1.6
71.01250	9.9
72.99176	1.4
73.02801	3.4
75.00739	1.9
81.03333	1.5
83.01247	2.4
85.02821	3.0
87.00751	24.5
88.01104	1.6
89.02324	1.6
89.03831	1.5
91.01750	3.0
91.05410	10.1
93.03323	5.1
95.01263	1.7
98.19777	3.1
99.00723	1.7
101.02327	3.8
105.03308	1.3
105.91538	1.0
107.01278	2.2
107.04883	1.6
108.02056	4.4
109.02845	25.1
111.00772	2.5
113.02303	4.6
117.03353	3.9
119.01273	6.1
119.03428	1.3
119.04890	3.9
121.02843	18.2
122.03109	1.6
123.00721	2.6
123.04395	3.5
124.01550	8.2
125.02338	39.8
130.99731	4.7
132.02069	11.1
133.02827	2.4
134.02650	2.2
134.03629	29.2
135.04422	64.4
136.01543	3.5
136.04756	3.4
137.02357	10.7
138.03099	4.4
139.03880	3.5
140.00925	1.2
145.02841	3.3
146.03629	2.2
147.00754	5.2
147.04433	21.3
148.01540	2.1
148.05130	2.3
149.02344	40.3
149.05962	6.8
150.03197	8.9
151.00264	3.9
151.03908	10.9
152.00964	1.2
153.01842	1.0
153.05476	8.3
159.04395	3.8
160.01578	43.8
161.02194	4.1
161.04506	1.3
162.03105	1.7
162.06821	1.4
163.03941	8.6
163.07565	4.2
164.01042	2.0
164.04707	24.5
165.01859	2.8
165.05312	3.4
172.05220	1.2
173.04477	3.1
173.05981	2.6
174.03069	2.5
175.00288	36.7
175.03911	49.5
175.07520	1.8
176.00739	2.3
176.04338	2.6
177.01868	3.6
177.05476	1.9
178.02574	3.1
179.07034	10.3
183.10199	1.1
185.05974	2.8
187.03920	1.8
187.07556	1.8
189.01892	2.3
189.09106	1.3
190.02637	80.0
191.03299	9.2
191.05453	1.7
192.04118	3.5
193.01299	2.1
193.04993	36.9
194.05350	2.7
196.00127	1.5
198.06831	1.2
199.03865	1.8
199.07481	1.7
201.05513	2.5
201.09158	2.0
203.03511	1.6
203.07066	1.8
204.04214	1.5
205.05008	100.0
206.05336	5.0
207.02846	1.2
208.03725	5.8
209.11778	3.2
210.06790	1.3
211.13344	3.3
212.04718	1.7
214.06139	1.3
215.07028	2.3
216.07819	1.1
217.01366	1.6
217.05077	2.4
217.08481	1.3
218.05527	1.2
223.06075	75.0
224.06415	3.8
225.05424	1.7
225.09109	1.7
227.03488	1.6
227.07118	1.6
229.05002	1.7
231.06636	1.9
232.03734	2.7
241.05025	1.5
247.06021	3.7
254.05750	3.2
255.06668	2.0
256.03680	1.8
257.04388	1.5
257.08188	3.4
269.08194	7.7
271.06018	4.5
283.02142	1.7
284.03253	2.7
285.03839	2.1
286.05008	1.4
286.08368	1.3
287.09305	1.4
298.04407	1.4
299.05539	3.4
301.03540	7.6
301.07199	15.4
301.10779	81.6
302.07767	2.1
302.11121	6.6
313.03436	3.4
316.05804	7.7
316.09509	11.2
317.10098	1.5
325.10754	1.6
327.04895	1.8
331.08258	68.9
331.11856	8.4
332.08487	8.7
342.07462	7.0
343.08295	6.6
379.10324	16.6
380.10654	2.3
409.11371	42.2
410.11569	3.7
463.10577	1.5
489.32269	1.6
547.80579	1.3
631.18695	1.8
651.37885	2.3
675.17316	3.4
693.18091	3.2
711.21820	26.7
711.39679	9.0
712.22351	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.8
59.01243	11.2
60.01565	1.1
61.98704	12.3
62.05663	1.5
69.22984	10.9
71.01253	4.3
73.02827	2.2
78.95757	2.3
85.02847	1.5
89.02332	4.2
95.04896	1.7
97.06464	6.5
98.20504	2.9
101.02328	4.6
111.48483	1.2
113.02359	1.9
120.62513	1.1
138.31938	1.5
147.46455	1.2
151.11191	19.5
152.99500	2.8
161.04460	2.3
169.12248	50.9
170.12683	2.3
195.10149	4.8
199.16995	1.2
201.11116	1.2
213.11244	9.3
235.08096	1.3
253.09268	2.6
255.23174	1.5
264.01089	1.2
277.21716	63.0
278.22037	10.5
279.23212	2.0
287.09271	3.0
312.01605	1.2
431.19241	3.4
449.20282	3.4
709.41595	100.0
710.41980	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08662	0.2
52.81758	0.2
56.42035	0.2
59.01252	100.0
60.01591	1.3
61.98703	0.6
64.95158	0.2
71.01257	0.4
71.10921	0.4
73.89864	0.2
78.95779	2.4
83.04915	0.4
85.02832	0.3
87.00758	0.2
89.01437	0.2
89.84737	0.2
96.96831	0.3
101.02327	0.3
111.68587	0.2
135.04446	0.2
151.00241	0.3
152.99507	3.9
161.04500	0.3
171.00591	0.3
185.11842	0.3
195.10237	0.6
197.11777	0.3
201.11281	3.9
209.11778	4.1
211.13370	0.3
211.42880	0.2
213.11244	0.3
227.12906	0.5
233.69263	0.2
253.21727	0.5
263.20209	0.4
277.21722	12.8
278.22128	1.1
279.23282	0.5
281.24536	0.3
287.05548	0.3
293.21317	0.3
302.84833	0.2
389.21982	0.4
455.16858	0.9
473.17853	2.8
474.18448	0.6
646.10199	0.2
691.38635	0.5
709.39508	6.0
710.39819	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67784	0.4
59.01245	2.3
65.00204	0.4
68.34342	0.3
69.51123	2.5
71.01252	2.2
73.02824	0.6
75.00751	0.8
83.01253	0.4
85.02827	1.0
87.00750	1.4
89.02332	2.4
91.01802	0.5
93.03316	0.6
95.01257	0.6
95.04987	0.5
99.00761	1.1
101.02327	1.2
108.02106	0.4
111.00771	0.5
113.02338	0.6
119.04913	0.7
121.02851	0.6
123.04415	1.6
125.02374	1.0
134.03593	2.2
135.04388	0.6
137.02339	1.1
145.02869	0.6
147.04404	0.8
149.02353	0.7
149.04466	0.4
149.05986	0.7
150.03111	0.4
151.00319	1.3
151.03934	0.5
152.00998	0.5
161.02341	0.6
163.03958	0.5
167.03383	3.4
178.99721	0.4
191.05544	0.5
193.03362	0.4
193.04944	1.8
213.01764	0.4
225.01932	0.6
227.03461	0.5
233.06679	0.7
237.03752	0.4
239.07196	0.5
240.04211	1.2
241.01183	0.6
246.79192	0.4
253.01413	0.9
255.02924	0.9
255.06671	0.6
256.03574	0.9
268.03769	1.4
269.00964	2.2
269.03711	0.3
271.02664	0.4
271.05991	0.5
283.02502	0.9
283.05917	0.8
284.03302	5.5
284.06281	0.7
285.03741	0.9
293.08813	1.5
296.03430	1.0
297.00452	2.7
297.03613	0.7
299.02255	0.7
299.05591	5.8
300.02689	0.5
300.05865	0.5
301.03558	0.4
301.07565	0.4
311.02106	0.9
311.05466	0.6
312.02756	12.3
312.06281	0.7
313.03162	2.0
313.06812	0.7
314.07983	3.9
315.08090	0.6
326.04218	0.4
327.05084	20.4
328.05408	1.8
341.06601	1.1
342.07434	40.8
343.07825	5.3
357.09793	100.0
358.10132	11.9
375.07117	0.8
379.10901	0.4
667.35376	0.5
711.27179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38986	0.5
59.01252	4.8
61.98685	1.7
62.51212	0.6
65.03822	1.8
70.13172	0.9
70.13574	1.2
71.01231	0.7
87.00726	0.8
88.13820	0.5
89.71754	0.5
91.05408	4.6
93.03317	2.2
99.14572	0.4
106.93313	0.5
107.33239	0.5
108.02026	3.1
109.02831	24.6
110.03190	1.1
120.76768	0.6
121.02837	12.3
123.04395	4.0
133.02861	0.9
134.03624	5.6
135.04411	59.0
136.04749	2.7
145.01300	0.5
147.04436	4.6
149.05977	13.6
155.48241	0.5
186.06815	0.8
195.13863	0.6
197.06039	1.5
201.09207	0.6
203.10721	0.8
212.08389	0.8
214.06201	0.7
229.08678	1.0
238.06313	1.3
241.04936	1.2
253.08591	1.2
256.07281	1.5
271.09738	100.0
272.10083	8.5
277.21664	1.4
279.23227	0.7
293.21124	3.3
295.09637	0.6
309.18835	0.5
415.13843	1.4
499.83997	0.6
706.00012	0.7
709.36115	1.1
715.14929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51265	1.5
55.93761	1.6
59.01252	100.0
61.98694	7.2
71.01240	7.0
75.00770	1.7
87.00742	2.5
101.02326	4.1
143.27820	1.8
151.34148	1.9
163.07570	69.6
164.07874	4.5
171.10225	2.4
180.39554	1.4
183.13834	6.8
197.11748	5.8
199.09604	3.6
209.11816	2.8
211.13322	15.2
211.19685	2.0
229.82736	1.9
279.23495	2.8
293.21188	3.7
461.36337	54.3
462.36612	9.8
532.97778	1.6
548.64886	1.8
589.59839	1.8
611.30487	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	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51265	1.5
55.93761	1.6
59.01252	100.0
61.98694	7.2
71.01240	7.0
75.00770	1.7
87.00742	2.5
101.02326	4.1
143.27820	1.8
151.34148	1.9
163.07570	69.6
164.07874	4.5
171.10225	2.4
180.39554	1.4
183.13834	6.8
197.11748	5.8
199.09604	3.6
209.11816	2.8
211.13322	15.2
211.19685	2.0
229.82736	1.9
279.23495	2.8
293.21188	3.7
461.36337	54.3
462.36612	9.8
532.97778	1.6
548.64886	1.8
589.59839	1.8
611.30487	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
59.01251	12.7
61.98698	9.9
71.01254	5.3
73.02818	1.9
78.95789	2.4
83.01310	1.1
85.02834	1.7
87.00767	1.0
89.02309	3.6
89.02832	0.9
94.64697	0.8
95.04945	0.8
97.06474	4.1
98.34380	1.0
100.26717	0.9
101.02341	4.0
113.02311	2.1
119.03371	1.4
151.11188	15.3
152.11575	1.0
152.99503	2.2
161.04457	1.2
169.12259	100.0
170.12621	6.2
179.86981	1.0
195.10345	1.2
213.11256	12.7
235.08154	1.9
253.09265	3.5
277.21729	28.4
278.22064	3.5
279.23380	2.0
431.19128	2.6
449.20383	10.0
656.50342	0.9
709.41638	87.8
710.42035	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	709.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.8
59.01257	14.2
59.59003	0.9
60.99183	5.3
61.98726	1.4
64.05408	0.9
67.01764	14.5
67.58587	0.9
68.48836	1.0
69.03310	4.7
71.01257	12.5
71.54093	0.9
72.99191	1.8
73.02810	1.6
75.00748	9.0
79.69318	0.9
81.03345	3.8
83.01270	1.1
83.04898	3.5
85.02818	7.5
87.00751	36.7
89.02343	2.8
90.02776	0.9
93.03337	100.0
94.03687	3.3
95.01273	1.3
96.95909	1.1
97.02774	1.2
99.00764	4.2
99.04378	1.3
101.02336	3.7
108.02045	1.4
109.02850	3.8
111.00735	2.2
111.04416	13.6
113.02323	3.9
117.03347	3.3
119.04926	31.8
120.05246	2.5
121.02830	3.8
123.04408	2.9
125.02389	1.1
125.26189	1.0
127.03877	1.7
129.01837	2.0
130.99716	2.3
132.02097	1.8
133.02885	1.4
134.03638	30.3
135.04054	2.0
136.01636	1.0
137.02350	15.3
145.02867	3.7
146.03424	1.0
147.04427	3.3
149.05956	5.2
150.03075	1.0
155.03404	5.0
159.04460	1.8
159.67209	0.8
160.01619	6.4
161.02359	2.9
161.06018	1.2
162.03198	0.9
163.03932	26.9
164.04306	4.0
164.16418	0.9
165.05525	3.2
173.04485	29.7
173.05888	1.8
174.03117	1.1
175.03920	10.8
177.01793	1.3
177.05449	1.0
178.02667	5.7
179.03336	1.9
185.05975	1.3
187.07593	2.1
188.04778	2.0
190.02640	1.0
191.03661	1.5
191.05545	19.8
193.04993	28.7
193.08675	1.8
194.05336	4.3
195.05496	1.0
217.08612	2.7
217.80296	1.0
251.07149	2.6
252.04247	0.9
258.83615	0.8
263.07059	1.2
267.06787	5.1
270.01639	1.1
279.06512	1.7
283.06030	1.8
284.03241	1.8
285.04037	1.5
287.22250	6.0
294.05515	1.6
294.08755	1.3
295.06131	2.0
297.00446	1.3
297.11166	1.0
299.01947	1.8
309.07748	1.0
313.03513	3.8
323.05637	3.1
328.05853	1.8
329.02988	1.3
329.06601	2.0
337.09521	2.7
338.07928	2.0
341.10266	6.9
342.07324	3.7
343.08243	4.6
353.10324	8.8
354.10922	1.1
359.07565	1.5
425.04898	0.9
431.26224	2.2
443.11795	1.3
449.27356	5.6
479.09912	2.7
491.28534	2.8
506.07339	1.0
535.16742	13.1
536.16785	1.2
547.18848	1.0
550.11310	1.3
559.15790	1.3
580.15326	1.0
603.18372	1.5
623.32886	1.4
665.33923	96.8
666.34009	17.1
673.15601	2.3
691.16986	6.7
692.17188	2.3
694.68146	1.1
709.17047	17.4
710.17542	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	709.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03322	0.3
59.01255	3.3
69.36660	2.0
71.01254	1.6
72.99184	0.7
73.02817	0.6
75.00749	0.4
83.01285	0.4
85.02812	1.3
85.92855	0.2
87.00748	5.4
88.89399	0.2
89.02313	0.6
93.03333	0.7
97.02844	0.4
99.00726	0.3
100.86772	0.3
101.02322	0.7
109.02841	0.5
113.02332	1.7
114.93594	0.2
115.93661	0.3
116.92799	0.3
119.04921	1.0
121.02846	100.0
122.03182	3.3
124.22519	0.3
125.02287	0.3
130.99762	0.8
134.03619	1.2
135.04424	0.4
137.02347	4.2
143.03419	0.3
147.04407	0.4
147.28363	0.2
162.96426	0.3
163.03961	1.5
167.03481	0.2
173.04440	0.8
173.05887	0.3
175.03923	0.4
191.03546	0.5
191.05554	0.7
193.05019	1.7
193.08698	0.2
217.08685	0.4
223.06088	0.3
227.03470	0.3
255.02985	0.6
269.04483	0.5
270.05328	1.7
284.03244	0.5
285.03940	0.6
297.04028	0.4
342.07571	0.6
343.08011	0.3
349.09579	0.4
430.06232	0.2
479.10092	1.4
480.10654	1.0
488.11337	0.3
501.23505	2.2
502.23398	0.3
505.11105	0.7
505.33685	0.3
506.12283	1.0
522.11755	0.3
523.13751	0.3
531.09033	0.4
532.09912	0.7
533.10895	0.3
543.24420	1.4
544.24353	0.5
547.18573	0.5
550.11420	1.5
551.11865	0.3
594.10223	0.4
647.17932	0.4
649.38208	0.9
667.39154	0.6
673.15393	0.5
691.17072	0.9
709.18591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25025	0.3
52.25832	0.3
55.99576	0.3
57.03341	0.4
58.29896	0.3
59.01254	4.4
67.01750	0.4
71.01260	2.1
71.41199	0.7
72.99212	0.4
73.02808	0.5
74.09924	0.3
75.00746	1.1
76.92934	0.4
81.03313	0.4
83.01263	0.5
85.02817	1.0
87.00761	3.3
89.02336	0.9
93.03339	35.0
94.03659	1.3
99.00766	1.7
101.02332	0.9
108.02036	0.4
110.93867	0.4
111.00795	0.4
113.02325	0.7
117.03393	0.5
119.04922	3.3
121.02845	1.7
122.00964	0.4
123.04408	0.4
130.99782	0.5
132.02007	0.6
134.03630	5.4
135.00778	0.5
135.04367	0.5
137.02348	100.0
138.02689	2.9
146.03438	0.5
147.04405	0.8
148.01627	0.5
149.02362	2.4
149.06003	1.1
150.03040	0.5
160.01596	2.1
161.02315	0.6
163.00333	0.4
163.03923	3.7
164.04614	1.4
173.04510	0.4
175.03920	2.9
181.19337	0.3
190.02681	0.4
191.03485	0.6
191.05609	0.7
192.06050	0.3
193.04996	5.7
223.06093	3.7
227.03488	2.1
239.03464	1.2
255.02986	4.7
267.06824	0.6
271.06195	0.4
283.06235	0.4
284.03265	5.3
285.03973	1.3
313.03433	0.7
329.06845	0.4
333.09830	0.4
337.09180	0.5
341.10382	0.6
342.07425	0.5
343.08133	0.8
349.09421	0.5
358.06662	0.4
479.10074	0.6
517.30206	0.5
561.12469	1.5
665.27631	5.0
666.28607	1.2
673.14801	0.5
691.16870	1.2
692.17542	0.4
709.17432	5.5
709.29309	0.5
710.18726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01241	5.3
59.76585	0.6
67.01757	1.3
70.22068	3.0
71.01248	3.6
72.99187	0.8
73.02843	1.1
75.00748	2.2
78.73508	0.6
79.41146	0.6
81.03342	1.7
83.04887	2.7
85.02825	2.1
87.00761	8.2
89.02319	1.6
93.03331	24.5
96.35075	0.6
96.95885	2.8
98.19775	0.8
99.00756	1.3
101.02329	1.2
108.02062	1.5
109.02802	1.4
111.00770	0.9
111.04398	5.2
113.02335	2.0
117.03361	2.1
119.04919	100.0
120.05260	3.6
121.02867	1.7
129.01808	0.9
133.02832	1.1
134.03635	30.1
134.04660	1.5
135.03999	1.0
137.02345	29.4
139.03920	1.6
145.02866	4.1
149.02292	1.2
149.05974	8.6
150.03165	1.0
151.00148	0.9
155.03421	7.3
160.01547	1.4
161.02328	1.5
162.03168	1.1
163.03923	75.7
164.04315	3.6
165.05435	0.8
167.03413	0.8
173.04474	39.3
174.04774	1.1
175.03900	2.6
177.05579	0.7
177.37802	0.7
178.02640	17.7
179.03044	1.1
182.02083	0.9
188.04543	0.7
191.05540	1.4
193.04993	60.2
194.05301	3.9
197.04474	2.2
217.08633	0.8
223.06102	1.8
271.02451	1.8
284.03412	0.9
287.22336	1.0
299.02127	3.3
300.02493	0.7
314.04227	1.4
329.06717	5.8
330.06876	0.8
341.10327	3.0
342.07404	1.1
343.08228	1.8
431.26538	1.2
449.27591	1.6
491.28488	4.0
535.16125	46.7
536.16644	7.3
580.15790	0.8
626.10815	0.9
665.34058	7.9
666.34277	1.5
673.14984	1.1
691.16534	4.7
692.16626	0.8
709.18390	15.9
710.19208	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	709.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.0
59.33496	0.4
61.98707	0.7
66.52955	0.3
71.01238	1.9
71.52940	0.5
71.53327	0.5
72.99221	0.4
73.02824	0.6
85.02834	1.3
87.00739	3.7
89.02338	0.6
89.03838	1.9
91.08696	0.3
93.03361	0.8
98.23669	0.4
99.00777	0.7
100.36755	0.4
101.02332	0.9
106.04140	0.4
113.02327	2.2
117.03351	5.9
119.04923	0.3
120.47195	0.3
121.02880	0.7
122.03635	0.5
123.04402	0.5
130.99733	0.5
132.02078	1.5
133.02858	7.6
133.96028	0.3
134.03636	83.1
135.03955	3.2
137.02371	1.9
139.03938	0.4
143.03419	0.4
147.04411	0.7
148.05182	0.4
149.05997	6.5
150.06271	0.4
151.03854	0.5
159.04388	0.4
160.01581	6.1
161.04463	0.4
175.03928	9.1
178.02643	3.1
181.01675	0.3
191.03685	0.4
193.04996	100.0
194.05321	4.7
209.11800	0.6
211.13264	0.7
226.86768	0.4
239.10750	10.4
240.11052	0.6
280.76428	0.4
304.85999	0.4
340.37262	0.4
343.08423	0.4
403.71368	0.4
431.31482	0.5
440.98013	0.4
465.17755	0.7
487.34183	0.9
511.34195	0.5
515.18939	1.0
533.20691	1.0
709.25439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90518	0.3
57.03331	0.3
59.01257	3.4
60.82369	0.3
61.98712	0.4
68.49292	0.3
71.01262	1.9
71.54626	0.4
72.99200	0.5
73.02824	0.6
73.17487	0.3
74.95374	0.3
75.00746	1.4
80.03642	0.3
80.21187	0.3
85.02808	0.9
87.00755	3.4
87.04289	0.3
89.02300	0.9
90.30303	0.3
93.03337	35.8
94.03687	1.0
99.00768	1.6
101.02329	0.7
108.02046	0.5
109.02852	0.5
111.00754	0.7
113.02317	1.0
117.03342	0.7
119.04921	2.7
120.05225	0.5
121.02833	1.4
123.00829	0.3
130.99759	0.4
132.02039	0.8
134.03632	5.1
135.00768	0.5
135.04372	0.4
137.02345	100.0
138.02678	3.4
141.73605	0.3
145.02881	0.8
147.04428	1.0
148.01570	0.6
149.02330	1.8
149.04453	0.4
149.05984	0.9
153.01834	0.5
160.01570	2.5
161.02271	0.5
163.00287	0.5
163.03938	4.5
164.04666	1.9
165.03961	0.3
173.04492	0.6
175.03944	2.6
176.04427	0.3
179.03354	0.7
179.07079	0.4
191.03392	0.4
191.05522	0.5
193.04999	6.5
194.05388	0.7
205.04988	0.5
223.04245	0.5
223.06081	2.3
227.03412	1.9
239.03394	1.2
255.03001	4.4
256.03580	0.6
267.06851	0.4
269.04376	0.3
270.05408	0.4
283.02118	0.3
284.03250	5.5
285.04016	1.3
313.03525	0.4
337.09320	1.2
341.10193	0.4
342.07529	1.1
343.08218	0.9
353.10281	0.8
356.01404	0.3
358.06781	0.4
479.09909	1.2
480.10281	0.5
517.30548	0.4
532.10083	0.8
550.11414	0.6
561.12848	1.6
561.20013	0.4
576.09491	0.3
594.09875	0.4
665.27167	4.0
665.38196	0.6
666.28430	1.3
673.15784	0.6
674.15985	0.3
684.36682	0.4
691.16827	1.5
709.17627	6.2
709.29974	0.9
710.18646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72647	0.6
55.89975	0.6
57.03326	0.9
59.01250	4.7
63.85279	0.5
67.01761	2.4
69.03296	0.8
71.01247	4.2
71.54318	0.7
73.02821	0.8
75.00748	1.8
83.04898	1.9
85.02811	2.7
87.00748	5.7
89.02332	1.0
89.59670	0.5
93.03339	20.0
96.95908	3.4
99.00767	1.5
101.02323	1.2
108.02027	0.9
109.02854	1.2
111.00743	0.8
111.04419	6.5
113.02337	1.3
117.03356	2.5
119.04919	100.0
120.05261	4.7
121.02868	1.6
127.03903	0.6
129.01851	0.6
132.42821	0.7
133.02856	1.3
134.03636	31.4
135.04053	0.6
137.02351	22.8
139.03886	1.5
145.02847	4.0
147.04385	0.7
148.01527	0.6
149.02359	2.1
149.05986	9.8
149.07162	0.7
150.03102	0.6
151.03845	0.9
152.01083	0.8
155.03383	4.7
156.03697	0.5
160.01573	1.2
162.03172	1.7
163.03923	64.4
164.04352	3.7
165.05478	1.6
167.03560	0.7
167.61371	0.5
173.04483	36.7
174.04797	1.4
174.06496	0.5
175.03864	2.5
177.05513	1.4
178.02632	17.4
179.03149	1.2
188.04736	0.7
191.03491	0.7
191.05545	1.9
193.04996	49.5
194.05397	3.2
197.04482	1.5
197.36906	0.6
223.06035	2.0
227.03413	0.8
261.63864	0.7
267.07397	0.7
268.07266	0.6
271.02573	1.2
284.03287	0.7
287.22223	0.9
299.02002	2.4
299.05380	0.7
300.02438	1.1
313.03589	1.2
314.04205	1.7
314.07651	0.6
329.06552	5.7
341.10315	1.8
342.07358	1.3
343.08182	1.5
384.70050	0.6
449.27579	1.7
479.09396	0.7
491.28503	4.0
498.84698	0.8
529.45447	0.7
535.16101	42.1
536.16370	7.5
580.15411	0.8
584.79254	0.6
665.33978	9.1
666.34808	1.1
691.16449	3.4
692.17108	1.3
709.18549	14.3
710.18384	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	707.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01580	1.0
61.29834	0.5
61.98700	1.0
64.70601	0.4
71.01247	1.0
71.53433	0.7
78.95781	4.4
85.02880	0.6
89.02316	0.6
96.96840	0.6
101.02325	0.5
109.06461	0.6
112.58906	0.4
113.02373	0.5
127.11219	0.5
133.98167	0.5
152.99487	6.5
171.00603	0.7
171.10265	0.6
181.12305	0.5
199.09756	0.7
199.13477	0.5
207.10155	2.1
209.11876	1.0
210.12259	0.5
211.13426	3.1
225.11340	2.6
243.12396	0.9
253.08983	0.5
253.21790	0.8
277.21729	20.7
278.22028	2.5
279.23120	0.8
291.23441	0.6
379.12085	0.6
453.15613	1.7
467.82745	0.5
471.16464	5.7
472.16486	0.6
707.37628	7.7
708.38763	1.6
730.47827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05531	5.1
58.37908	4.8
59.01244	16.4
61.76920	5.1
71.01250	23.7
72.99190	8.4
75.00736	15.2
80.74959	5.2
85.02824	23.9
87.00739	12.9
89.02289	5.2
99.00754	12.2
103.00207	5.2
108.91046	5.1
113.02361	27.8
121.02809	5.0
124.21336	4.6
133.36322	5.4
137.02359	8.1
158.94003	4.8
159.04417	42.4
161.05968	11.9
173.02338	6.1
173.05981	22.8
187.03893	11.5
191.05548	19.0
197.29887	5.1
199.04022	6.1
214.23764	5.0
249.05780	11.1
251.07161	17.9
267.07181	37.7
277.05045	24.3
278.05630	5.7
279.06577	18.3
280.07178	6.2
282.05420	6.8
295.06213	13.6
297.07684	24.5
299.09109	6.3
305.04495	9.3
312.09933	16.6
322.04712	10.8
323.05396	24.9
327.12283	14.6
337.06958	19.9
338.07877	22.2
351.08884	7.9
353.10297	23.6
379.08148	12.4
397.09229	14.4
423.07059	23.7
455.48715	5.5
515.11847	7.7
567.83405	5.3
621.18079	27.4
647.16534	5.5
665.17212	36.6
666.17297	7.4
691.15009	100.0
692.15350	24.8
709.16205	56.1
710.16193	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	709.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98684	0.2
59.01251	2.9
61.98690	0.7
64.43256	0.2
69.52412	1.1
69.52816	0.4
71.01263	1.3
73.02825	0.5
75.00737	0.6
85.02824	0.7
87.00753	100.0
88.01083	1.7
89.02323	0.9
93.03345	0.5
101.02338	0.8
109.02802	0.3
112.98764	0.2
113.02319	0.7
118.74256	0.3
119.04936	0.4
121.02847	0.7
123.04401	0.4
125.02329	0.3
130.99762	13.6
133.02856	0.4
134.03679	1.2
135.04404	0.6
137.02370	0.6
146.03616	0.4
147.04413	1.1
149.02359	0.4
149.05965	0.6
159.04388	0.6
160.01601	0.4
161.02240	0.3
161.04497	0.3
161.05911	0.4
162.02991	0.2
163.03899	0.9
164.04709	0.3
171.10162	0.7
172.05151	0.4
173.04492	0.9
173.05971	0.5
175.03928	0.9
175.07669	0.3
177.05524	0.3
186.03111	0.4
187.03958	1.6
188.04622	0.4
189.05475	0.2
191.03502	0.3
191.05554	0.5
192.04178	0.4
193.04918	1.1
197.05920	0.3
197.11758	0.6
199.04010	0.4
201.09190	0.3
209.11809	0.5
213.01794	0.3
213.05573	0.2
214.02576	0.7
215.03522	0.5
215.07010	0.3
216.04181	0.5
223.06003	0.3
226.02687	0.3
231.06667	0.5
241.04944	0.4
242.02188	0.9
243.02957	4.0
244.03760	1.6
245.04364	0.3
269.01053	0.3
270.01706	0.4
270.05289	0.5
271.02444	0.3
283.06131	0.3
309.20718	0.6
310.20984	0.7
311.12708	0.4
313.03580	0.5
329.13837	0.2
343.08109	0.5
359.08032	0.4
397.13269	0.3
397.62311	0.2
415.14606	0.3
416.15036	0.4
422.06131	0.4
437.08722	0.5
447.06955	0.3
450.05826	0.6
451.10312	0.7
462.09473	0.3
465.07993	0.5
479.09811	1.5
480.10605	11.7
481.10928	1.5
523.12927	0.4
524.12897	0.5
550.11279	0.3
612.12036	0.3
613.12744	0.3
647.17328	0.3
691.18445	0.6
691.29358	2.2
709.18079	1.3
709.30420	0.5
710.17627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03308	1.7
58.00462	1.7
59.01251	26.1
60.35680	0.6
61.98706	1.0
67.01777	0.6
69.03326	1.9
69.61497	1.0
69.61905	2.8
71.01256	22.7
72.99177	1.9
73.02814	4.1
75.00744	1.3
81.03333	0.7
83.01251	2.1
83.04874	0.6
83.25387	0.6
84.02052	0.5
85.02828	5.1
87.00753	8.6
89.02320	17.4
93.03319	0.7
95.01258	1.9
97.02812	3.7
97.06404	0.7
99.00772	1.6
101.01707	0.9
101.02327	12.9
102.27308	0.6
106.07289	0.6
108.74012	0.6
111.00802	0.9
111.08047	10.1
113.02337	6.7
117.91619	0.5
119.03419	3.9
119.04916	3.1
121.02820	2.0
123.04392	0.6
123.08012	0.8
125.02349	3.7
127.07559	0.9
130.99710	1.1
134.03632	4.1
137.02351	1.3
143.03407	2.5
147.04401	2.0
148.38762	0.5
149.02396	0.9
149.05983	0.9
150.82089	0.6
153.12738	0.6
155.61989	0.6
159.04456	0.6
160.01563	0.5
161.02333	1.0
161.04471	3.0
161.05701	0.5
163.03934	4.0
169.12270	4.0
171.10161	1.7
171.38483	0.6
174.03171	0.7
175.00291	0.7
175.03979	2.0
175.07536	0.6
176.01120	1.0
179.05580	4.6
179.10617	1.0
181.12276	1.4
183.13869	1.0
189.01892	2.0
191.03473	1.0
193.05022	5.0
194.05377	0.7
197.11777	43.5
198.12112	2.4
199.13292	3.2
209.11758	2.2
210.12120	1.1
211.13367	6.9
215.33942	0.6
221.06581	1.0
227.10699	1.0
227.12828	1.7
235.08180	3.5
253.09219	1.5
263.07669	0.7
263.20206	2.1
265.18042	1.5
267.07349	0.7
273.18597	1.2
279.03058	0.9
291.19693	17.1
292.19861	1.5
305.08813	0.9
309.20718	100.0
310.21033	8.2
313.03799	0.8
315.15903	0.8
343.08289	1.4
397.13510	19.9
398.14011	1.4
415.14590	32.2
416.14835	2.2
423.10638	3.9
424.11362	0.7
457.17584	1.1
663.33240	0.8
707.34576	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	707.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.7
57.03313	1.9
58.00460	2.5
58.36401	0.7
59.01250	38.4
61.98708	1.6
68.06223	0.8
69.03329	3.0
71.01254	29.1
72.99181	2.0
73.02821	5.2
75.00749	3.7
81.03333	1.6
83.01264	2.8
83.04904	1.1
85.02821	6.6
87.00753	15.8
89.02312	21.9
90.02677	0.9
93.03367	1.2
95.01257	1.5
96.95885	0.8
97.02828	3.7
97.13340	0.8
99.00758	4.3
99.04398	0.9
101.02330	17.5
101.02995	0.9
103.98621	0.8
107.04931	1.0
109.02828	1.5
109.06451	1.6
111.00780	0.9
111.08046	15.3
113.02337	12.0
117.03323	1.9
119.03406	6.0
119.04890	5.7
121.02856	2.7
123.00824	0.8
123.04414	1.3
125.02333	6.0
127.07529	0.8
130.99767	1.1
131.01277	1.3
131.03369	1.1
133.02829	0.8
134.03633	9.4
135.04369	2.7
137.02332	2.4
137.09616	1.3
139.11104	0.9
143.03397	1.9
145.02863	6.2
147.04425	2.2
148.01564	1.0
149.02403	1.0
149.04472	1.3
149.05966	1.4
151.11151	1.3
153.12796	1.0
159.04442	1.3
160.01578	2.8
161.02368	2.6
161.04413	4.0
161.09622	1.1
161.13261	0.9
163.03928	6.3
165.03960	2.2
165.05325	0.8
169.12277	6.1
170.15791	0.9
171.10117	2.3
173.05965	1.0
175.00220	1.0
175.03937	4.3
176.01065	3.1
179.05519	4.7
179.10738	1.7
181.12260	1.6
183.13818	1.3
187.11230	1.2
189.01878	3.5
189.09106	1.4
191.05554	1.3
193.05017	8.3
195.91249	1.1
197.11769	67.0
198.12083	2.6
199.07732	1.2
199.13327	3.5
201.11230	1.1
202.99698	1.4
204.00497	1.1
207.13835	0.9
209.11789	2.2
211.13342	8.1
215.07045	1.0
221.06592	1.0
223.13434	1.7
225.14931	1.8
227.12732	2.3
235.08183	5.7
249.11299	1.3
251.03467	1.4
252.04256	7.9
253.04686	1.2
253.09224	1.8
263.07745	1.2
263.20181	3.2
265.17990	1.8
267.06644	11.9
268.03943	0.8
268.06857	0.9
269.04675	1.9
279.02832	1.0
283.06314	1.2
291.19714	15.3
292.20071	0.8
297.04037	9.4
309.20718	100.0
310.21115	8.0
312.06284	2.0
313.03458	1.4
323.09866	1.4
327.08716	14.1
328.09137	1.7
339.15988	2.3
340.16367	2.3
341.16592	2.2
342.07584	1.4
343.08347	1.8
397.13470	22.0
398.13873	1.2
415.14572	33.6
416.14777	2.5
423.10779	5.8
439.12418	1.5
515.28784	1.2
531.20624	0.9
663.33734	2.2
707.29309	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	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
55.93354	0.6
57.03323	3.9
58.00459	0.6
59.01252	16.0
62.80564	0.6
65.52380	0.6
67.01768	0.9
68.62059	0.6
68.99682	1.3
69.03322	1.3
69.37093	5.0
71.01259	14.8
72.99182	5.3
73.02822	1.7
75.00756	13.0
81.03309	0.9
83.01250	1.5
83.04897	2.9
85.02827	21.1
87.00755	10.2
89.02316	4.7
93.03330	1.8
95.01267	5.4
95.04924	1.2
95.81327	0.7
96.95903	0.9
99.00763	10.4
101.02318	1.7
103.00270	2.6
107.97747	0.6
109.02814	0.8
111.00730	1.1
111.04369	1.3
111.08009	0.8
113.02338	26.3
115.00256	2.4
117.01803	2.3
117.03348	3.3
119.03423	0.6
121.06464	1.8
123.08064	7.5
129.01831	2.0
131.03439	0.8
132.02072	1.1
133.02855	1.9
134.03638	37.5
135.04353	1.3
137.09612	1.5
139.00313	0.7
139.07547	1.2
145.10152	0.7
149.02332	0.7
149.04510	1.2
149.05988	4.9
151.07541	1.0
153.09215	0.7
157.01297	1.1
159.47755	0.7
160.01549	6.9
161.02315	2.3
163.03999	0.9
169.10085	0.7
171.11722	6.3
173.04477	1.2
175.02353	2.9
175.03937	7.7
176.04277	1.1
177.01923	0.7
179.03352	1.2
189.09145	1.0
189.12793	1.5
191.03302	0.9
191.05545	0.8
193.03571	1.3
193.05000	26.3
194.05377	1.4
195.13766	1.0
201.12769	1.5
207.05074	1.7
207.13867	0.7
231.04958	0.8
237.14929	7.3
249.06084	15.8
249.08522	0.8
250.06540	0.7
267.07169	37.2
268.07587	2.0
281.13989	5.8
284.03094	0.8
343.08148	1.6
366.09781	0.7
381.11819	1.2
425.10623	3.7
426.11368	0.7
443.11969	41.8
444.12106	4.0
455.29266	0.7
513.19928	1.2
531.20868	24.1
532.21466	3.3
619.18390	1.2
707.25647	100.0
708.25897	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
55.93354	0.6
57.03323	3.9
58.00459	0.6
59.01252	16.0
62.80564	0.6
65.52380	0.6
67.01768	0.9
68.62059	0.6
68.99682	1.3
69.03322	1.3
69.37093	5.0
71.01259	14.8
72.99182	5.3
73.02822	1.7
75.00756	13.0
81.03309	0.9
83.01250	1.5
83.04897	2.9
85.02827	21.1
87.00755	10.2
89.02316	4.7
93.03330	1.8
95.01267	5.4
95.04924	1.2
95.81327	0.7
96.95903	0.9
99.00763	10.4
101.02318	1.7
103.00270	2.6
107.97747	0.6
109.02814	0.8
111.00730	1.1
111.04369	1.3
111.08009	0.8
113.02338	26.3
115.00256	2.4
117.01803	2.3
117.03348	3.3
119.03423	0.6
121.06464	1.8
123.08064	7.5
129.01831	2.0
131.03439	0.8
132.02072	1.1
133.02855	1.9
134.03638	37.5
135.04353	1.3
137.09612	1.5
139.00313	0.7
139.07547	1.2
145.10152	0.7
149.02332	0.7
149.04510	1.2
149.05988	4.9
151.07541	1.0
153.09215	0.7
157.01297	1.1
159.47755	0.7
160.01549	6.9
161.02315	2.3
163.03999	0.9
169.10085	0.7
171.11722	6.3
173.04477	1.2
175.02353	2.9
175.03937	7.7
176.04277	1.1
177.01923	0.7
179.03352	1.2
189.09145	1.0
189.12793	1.5
191.03302	0.9
191.05545	0.8
193.03571	1.3
193.05000	26.3
194.05377	1.4
195.13766	1.0
201.12769	1.5
207.05074	1.7
207.13867	0.7
231.04958	0.8
237.14929	7.3
249.06084	15.8
249.08522	0.8
250.06540	0.7
267.07169	37.2
268.07587	2.0
281.13989	5.8
284.03094	0.8
343.08148	1.6
366.09781	0.7
381.11819	1.2
425.10623	3.7
426.11368	0.7
443.11969	41.8
444.12106	4.0
455.29266	0.7
513.19928	1.2
531.20868	24.1
532.21466	3.3
619.18390	1.2
707.25647	100.0
708.25897	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90522	0.5
57.03323	1.4
58.02375	0.5
59.01250	11.5
59.72768	0.5
61.98708	5.5
69.03326	0.9
69.82860	2.5
71.01260	8.7
72.99173	0.9
73.02831	2.1
80.02541	1.0
80.96398	0.9
81.03327	2.3
83.01261	1.0
83.04896	7.0
84.02036	1.6
85.02819	3.0
87.00755	6.4
89.02328	6.4
93.03346	0.8
95.01260	0.7
95.04904	0.8
96.95891	0.5
97.02826	0.7
97.06480	1.5
97.91959	0.5
99.00772	1.6
101.02322	7.0
102.02743	0.5
105.47136	0.5
108.02066	0.6
111.08051	1.6
113.02332	4.1
119.03399	1.5
119.04881	1.3
125.09589	0.7
128.01045	0.8
129.01831	1.0
133.02853	1.9
134.03633	1.7
135.04424	0.5
135.08086	0.9
137.02339	1.3
140.04102	0.6
147.04410	2.4
147.11688	0.8
148.05077	0.7
149.02376	0.6
149.05956	2.5
152.00995	0.5
159.04428	0.6
161.04439	1.7
163.03947	0.8
163.11192	5.7
165.12762	10.6
166.13124	0.8
171.10191	0.5
174.03217	0.5
175.03899	0.7
177.01779	0.6
179.05470	0.9
181.12273	1.0
183.13835	71.3
184.14180	4.5
189.05412	0.6
191.03479	1.1
191.10629	1.0
192.04181	1.0
193.04967	2.1
207.10168	0.8
209.11777	100.0
210.12112	6.6
211.13324	2.3
217.16081	0.5
225.11296	0.8
227.12851	15.1
228.13158	0.6
235.08266	2.0
239.10738	1.3
253.09239	5.4
271.02609	0.7
277.21814	0.7
289.18109	1.3
292.14035	0.5
299.02008	1.9
307.19168	3.7
313.03522	1.1
328.05786	0.7
343.08273	2.8
349.08743	0.7
397.13675	1.6
415.14639	1.1
419.23001	0.7
445.20779	1.9
463.21844	3.1
473.08511	1.2
487.10373	2.2
488.11176	1.6
531.09589	1.0
532.10297	3.4
607.26105	0.8
630.17468	0.7
655.33362	2.4
661.19421	1.2
673.34406	86.0
674.23480	1.1
674.34741	17.2
705.19049	0.9
705.37720	4.8
706.35699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94974	0.4
57.03332	0.4
59.01250	1.2
61.98703	0.4
69.03336	1.1
70.90814	1.0
71.01244	0.9
73.02835	0.5
77.56135	0.4
81.89264	0.4
85.02797	0.8
87.00752	25.2
88.01096	0.7
89.02324	0.6
92.88891	0.4
93.03374	0.6
96.95910	0.9
97.06455	3.1
99.00729	0.6
101.02348	0.5
108.02081	1.0
109.02837	0.7
111.04385	0.5
113.02329	0.8
113.76369	0.4
115.00238	0.8
120.02203	0.4
121.02866	2.8
122.03623	1.1
123.00716	0.5
123.04411	2.4
125.02322	0.7
130.99754	6.0
133.01210	0.5
134.03633	1.4
135.04460	0.5
137.02330	1.3
139.03735	0.4
146.03650	3.8
147.04408	2.4
149.02376	0.6
149.05962	2.0
150.03114	1.0
151.00237	0.8
152.01021	1.3
153.01784	0.6
157.95688	0.5
159.04387	1.2
160.05136	0.8
161.02353	0.7
161.05997	0.8
162.06775	0.5
163.03918	1.0
163.07541	2.0
164.04752	0.7
165.05502	1.0
172.05222	1.8
173.04478	0.9
173.05957	2.1
174.03172	2.2
174.06706	1.1
175.03922	2.5
175.07556	14.3
176.04707	1.5
176.07950	0.7
179.03302	0.6
185.06024	0.9
186.06741	1.7
187.03903	0.6
187.07515	3.6
188.04648	1.5
189.05495	1.8
189.09113	0.6
190.06270	4.0
191.03607	0.5
191.05531	1.2
191.10725	0.7
193.05017	1.0
199.03990	0.8
199.07372	0.8
200.04742	7.2
201.05495	0.9
201.09145	6.7
203.07068	5.1
204.07797	2.7
211.07587	0.7
215.07040	1.5
216.07832	1.2
217.08647	5.1
219.10219	8.8
227.07101	0.5
227.10709	3.3
228.07959	0.9
229.08649	25.5
230.08994	1.4
243.10201	1.2
245.08168	3.9
245.11742	2.9
247.09729	2.8
254.04343	1.2
261.11374	0.9
271.02655	0.5
271.09717	1.6
273.07678	16.3
274.07990	0.8
289.10855	1.4
300.02652	0.5
313.03735	0.5
328.71451	0.5
333.09766	5.8
334.10309	0.5
351.10825	100.0
352.11191	9.9
703.18176	0.6
703.27747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.2
57.03308	3.1
59.01252	18.5
62.56478	0.8
67.01720	1.1
68.99683	0.9
69.03328	1.3
69.28661	1.6
69.29067	6.7
71.01256	19.4
72.99198	5.1
73.02811	2.3
74.08007	0.8
75.00748	13.6
81.03318	1.2
83.01247	1.7
83.04890	0.9
83.11859	0.9
85.02341	1.4
85.02824	16.2
87.00749	11.6
89.02318	4.7
89.03819	1.1
89.82146	1.0
93.03307	1.7
95.01273	5.0
95.04884	1.6
96.95863	1.6
97.02826	2.5
99.00759	11.4
99.04453	1.2
101.02289	2.4
103.00232	2.3
107.04906	0.9
108.01997	0.9
109.02793	2.7
109.06429	0.9
111.04407	1.7
113.02329	24.8
115.00233	1.6
117.01794	1.3
117.03333	5.1
119.03297	0.8
119.04926	1.6
121.06456	1.9
122.03644	4.5
123.04441	1.4
124.05194	1.8
129.01813	1.2
131.03409	1.0
132.02042	1.6
133.02843	2.6
134.03638	39.7
135.04465	4.3
137.02359	1.1
137.05930	2.7
137.09598	1.0
139.07552	6.2
145.02838	1.1
147.04321	1.3
147.08095	1.4
149.06010	6.7
152.01091	0.9
153.01984	0.9
157.01286	1.7
160.01573	8.6
161.02284	3.3
161.04459	1.1
163.03802	1.1
165.05411	1.4
168.07841	0.8
175.02390	2.0
175.03879	8.7
178.02496	0.9
179.03424	1.9
187.11229	5.9
190.09842	1.5
191.03261	0.9
193.03612	1.7
193.04994	27.3
194.05334	1.0
205.12296	8.5
207.04974	1.6
223.13219	1.1
231.04988	1.6
231.10185	1.4
249.06111	17.0
249.11179	1.2
261.11261	1.4
267.07153	35.4
268.07294	1.9
279.12350	3.1
329.58569	0.9
343.08115	1.0
353.09045	0.9
381.11758	1.0
411.10501	2.6
423.14948	2.2
425.10815	2.7
443.11923	31.9
444.12192	4.2
511.18088	1.0
529.19226	19.9
530.19446	1.6
661.26501	1.6
687.22461	1.4
705.23810	100.0
706.24329	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	703.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.0
60.51966	0.7
65.69899	0.7
71.01255	1.3
71.52744	0.7
85.02805	1.1
87.00756	18.0
92.63411	0.7
93.03388	0.8
97.06464	2.0
108.02065	1.1
109.02815	1.3
115.99835	0.7
121.02844	2.4
123.04381	2.2
130.99762	4.8
134.03645	1.8
135.04393	1.0
146.03635	3.7
147.04405	2.2
149.06000	2.0
150.01962	0.8
150.03096	1.0
151.00299	0.7
152.01047	2.2
153.01901	1.0
159.04408	1.2
161.05988	1.0
163.03914	0.7
165.05420	0.9
172.05220	2.6
173.04443	1.3
174.03134	1.9
175.03899	1.7
175.07562	10.9
177.01830	0.8
181.61888	0.7
186.06839	0.9
187.07549	2.1
188.04727	1.5
189.05481	1.3
190.06267	2.3
191.05521	1.7
193.04924	1.1
199.04070	0.9
200.04735	5.2
201.09148	4.9
202.47685	0.7
203.07076	3.7
204.07849	1.3
215.07054	0.9
216.07875	0.7
217.08633	5.4
219.10201	6.8
227.10722	2.3
229.08676	18.9
230.09056	1.8
243.10229	0.8
245.08086	2.0
245.11891	1.4
247.09779	2.1
261.11069	0.9
271.09698	1.7
273.07706	10.9
293.57986	0.8
308.31720	0.7
333.09827	6.3
334.10175	0.8
351.10843	100.0
352.11212	10.4
359.55804	0.7
362.38052	0.7
703.17816	1.4
703.28845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.7
57.03324	4.6
58.00462	2.4
59.01250	53.6
60.01591	0.7
61.98708	3.0
65.00115	0.7
65.24810	0.6
67.01767	0.9
67.06073	0.6
67.73755	0.6
68.99694	1.1
69.03316	3.6
71.01251	44.2
71.04882	0.9
71.34264	1.0
72.99177	4.6
73.02818	6.8
75.00732	1.2
80.02547	0.9
81.03328	4.4
83.01257	7.4
83.04909	3.1
84.02044	0.7
85.02826	8.7
87.00751	13.2
88.20872	0.6
89.02316	40.8
93.03345	1.3
95.01271	3.8
95.04892	2.6
97.02827	10.8
97.06467	7.1
99.00766	3.2
99.04334	1.1
101.02321	36.7
106.04150	0.7
109.02841	1.3
109.06460	2.1
110.03593	0.7
111.00748	0.7
111.04415	1.6
111.08037	0.9
113.02326	13.3
119.03390	12.4
119.04816	1.0
119.08500	1.1
121.02834	1.9
121.06456	1.6
123.04399	5.2
123.08012	2.0
125.02341	10.1
125.05955	1.0
125.09599	7.3
129.01855	0.7
131.03383	2.9
134.03612	4.1
135.04395	1.0
135.08047	1.3
137.02342	2.7
137.06007	0.8
137.09631	4.9
139.03899	1.4
141.01790	1.0
141.09169	0.8
141.12784	1.2
143.03401	6.1
147.04472	3.3
147.11684	0.9
148.08881	0.8
149.02351	0.6
149.04437	1.8
149.06003	2.2
149.09572	0.9
151.11186	2.6
159.02991	0.6
159.04384	0.9
161.02364	0.9
161.04457	6.4
161.09543	1.1
163.03896	1.3
163.07568	1.0
163.11189	8.2
164.04684	0.7
165.12772	5.2
167.10579	1.1
169.12209	0.8
171.10168	1.9
172.05188	1.0
173.06015	0.7
173.33658	0.7
175.03893	1.4
177.12788	1.1
179.05534	7.2
179.10634	1.3
181.12292	3.4
183.13811	1.0
185.04462	1.3
185.11746	7.3
191.03380	1.0
191.10730	1.8
191.14336	8.2
192.04143	1.1
193.04985	3.8
199.13289	1.1
201.05594	1.0
207.10196	5.9
209.11774	31.3
210.12132	2.9
211.13387	5.9
212.13708	0.7
215.07127	0.9
217.07013	0.7
217.15935	2.0
221.06578	2.2
225.11292	5.4
226.11890	0.9
227.12839	4.8
235.08209	9.4
237.11256	7.2
237.13495	0.9
245.19078	18.6
246.19481	1.2
247.16978	1.1
253.09187	3.8
263.07736	2.8
263.20166	5.7
271.16989	2.3
277.09164	1.0
277.21762	1.1
279.19495	0.8
281.21213	2.1
287.07635	1.6
289.18082	74.8
290.18457	7.3
295.22583	0.8
305.08707	2.0
307.19128	100.0
308.19492	9.2
313.03510	1.1
323.09805	1.4
325.20187	1.3
343.08188	2.6
379.12366	1.3
397.13495	45.0
398.13959	3.0
415.14572	40.3
416.15057	3.2
439.26981	1.3
457.28137	9.2
458.28009	1.4
473.08673	1.4
487.10474	1.9
488.10968	2.4
499.28326	0.7
532.10168	3.4
607.25861	5.6
608.26459	1.4
622.24158	1.1
661.19141	2.2
673.34558	2.9
687.31818	1.0
705.20245	1.3
705.32953	8.3
706.33984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84836	1.7
57.81311	1.7
59.01239	5.5
69.03320	2.0
71.01260	4.7
85.02814	2.6
87.00754	24.9
88.01078	3.6
95.01256	13.1
98.20660	2.0
107.01264	11.8
109.02875	1.7
111.00791	3.0
121.02863	2.4
123.00790	10.4
123.04417	2.6
124.01617	10.1
125.02332	13.1
130.99751	8.5
132.00145	2.2
134.03621	3.3
136.41829	2.0
137.02327	6.0
145.02820	2.9
147.04404	5.8
149.02258	2.1
149.06064	2.5
151.00290	36.5
153.01762	4.5
159.04478	2.3
161.02380	3.0
163.03915	2.1
165.05502	1.8
169.01382	3.2
173.02303	2.2
174.03125	3.8
177.01823	7.1
187.03899	3.1
187.07599	2.6
189.01782	2.4
191.03459	2.3
192.04259	2.1
193.04926	4.7
197.02353	2.7
198.03140	5.0
199.03870	4.9
199.07562	2.8
200.04718	1.9
201.01875	13.7
201.05743	1.9
202.02483	3.4
211.03986	3.7
212.04744	3.2
213.01852	6.5
213.05518	3.3
213.09187	4.7
214.02666	9.1
215.06975	1.8
217.01453	1.9
217.05145	2.2
225.01872	4.4
225.05510	4.6
226.02650	9.4
226.06247	2.5
227.03407	7.0
228.07796	8.1
229.01344	4.0
229.08685	5.0
230.02150	4.9
232.07336	2.1
239.03403	3.0
239.07007	2.1
240.04317	3.7
240.07835	3.2
241.01399	4.7
241.05099	2.7
241.08691	9.6
242.02142	13.5
243.02831	7.9
243.10150	5.8
245.04491	2.0
253.01329	3.5
254.02177	5.8
254.04497	3.5
255.02802	5.1
257.00906	2.5
257.04544	4.0
257.08115	13.6
258.01663	4.3
267.02972	2.1
268.00128	2.2
268.03659	4.3
269.00882	8.5
269.04456	2.6
270.01654	17.8
271.02438	17.1
271.09686	3.1
273.04150	5.0
273.11282	6.6
281.01025	2.3
283.02469	7.5
283.05780	2.1
284.03397	8.7
285.04056	29.1
286.01221	4.6
286.04352	3.7
295.02359	2.8
296.03003	2.8
297.00439	12.3
297.04153	4.4
298.01151	7.1
298.04663	2.7
299.01938	30.5
299.05557	6.7
300.02747	4.2
300.06152	2.8
301.03506	13.1
303.08743	3.1
311.01898	8.6
312.02637	14.6
312.99844	4.5
313.03531	94.0
314.00720	4.4
314.04147	18.9
314.07925	5.1
315.04916	4.7
315.08414	2.4
326.04041	2.8
327.05069	15.1
328.05835	33.5
329.02975	47.7
329.06656	33.9
330.03363	4.9
330.07050	4.1
331.08170	8.9
341.06659	6.9
342.07434	26.8
343.04916	3.2
343.08218	88.4
344.05243	15.7
344.08698	5.6
359.07706	100.0
360.08160	11.7
373.09381	3.8
387.82986	1.9
404.02161	2.3
415.10034	2.4
419.03873	2.7
449.08801	3.7
467.09521	5.2
549.13654	6.7
551.15381	3.4
583.16089	3.6
585.17902	10.3
611.15582	2.9
615.18744	63.6
616.19098	13.5
659.17023	3.4
671.13013	5.6
685.14758	12.4
686.15686	2.0
703.14972	12.1
703.31769	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	701.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.6
61.98702	1.5
63.01302	0.6
71.01254	2.0
85.02799	1.1
86.47746	0.7
87.00754	100.0
88.01095	1.8
88.98684	1.7
89.02321	1.3
93.03314	1.0
96.95882	0.7
99.00735	1.1
101.02295	0.9
103.50981	0.7
107.35852	0.6
108.02048	1.5
109.02787	0.6
111.00676	0.6
113.02330	0.7
119.04973	0.9
121.02888	2.5
121.69368	0.6
122.03632	1.6
123.00812	1.1
123.04410	4.7
130.99767	54.9
132.69987	0.7
134.03641	2.4
137.02348	2.9
137.06001	1.2
139.03899	1.0
145.02867	1.1
146.03665	2.3
147.04424	6.9
148.05229	2.8
149.05962	4.5
150.06744	0.7
159.04391	1.2
161.05997	0.9
162.03197	1.4
162.06824	1.0
163.03946	1.8
163.07512	0.9
165.05519	2.3
172.05194	1.0
173.02359	0.8
173.05977	1.4
175.03969	2.6
175.07718	1.0
187.07654	1.0
188.04767	2.9
189.05559	1.1
191.03517	2.5
192.04256	2.0
193.05006	5.2
201.09203	1.2
202.06342	0.9
211.13432	2.6
214.06351	0.8
217.08730	0.9
218.02209	1.4
219.02937	3.1
219.10295	1.1
229.08669	0.9
253.03699	0.9
254.04320	30.7
255.04968	6.2
287.16525	0.9
296.90930	0.7
297.06381	1.0
297.15063	1.8
313.03769	2.0
315.16074	3.3
327.01593	0.8
329.03192	1.9
333.17380	1.5
339.16388	1.6
340.16666	0.7
343.08432	2.6
349.09583	2.9
351.11050	1.6
357.06342	3.4
357.17407	3.1
358.06970	0.9
358.17767	0.9
359.07605	4.4
377.03101	0.9
378.03522	1.0
405.02371	0.8
419.48456	0.7
427.14319	1.3
434.02362	1.1
435.02902	0.8
437.07971	0.9
445.15161	1.4
451.18430	0.7
463.07080	2.5
463.16263	3.8
464.07227	4.3
465.07343	8.6
466.07751	0.9
471.13083	1.2
472.13870	1.1
487.20602	0.7
491.06079	1.9
492.07538	1.1
496.38052	1.4
504.36490	0.8
604.14148	0.7
623.23608	0.8
641.26007	1.0
665.19604	2.0
683.19177	6.3
684.20880	2.0
701.27399	34.2
702.16821	0.9
702.27582	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	701.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69656	0.9
57.03316	1.0
59.01263	8.3
65.03919	0.8
67.94798	0.8
69.03323	2.0
69.35918	5.3
71.01257	4.6
73.02811	1.7
85.02835	2.4
87.00755	28.6
89.02316	2.7
93.03342	1.6
95.01263	1.1
95.61159	0.9
97.06475	1.2
99.00694	1.3
101.02322	4.1
109.02859	1.5
113.02343	2.7
119.04940	1.6
121.02853	2.1
122.03626	2.9
123.00815	0.9
123.04417	2.2
130.99768	6.2
134.03664	2.2
135.04482	0.9
137.02333	2.4
139.03938	1.5
146.03653	9.3
147.04422	10.5
148.05214	3.2
149.02277	1.6
149.06020	4.5
158.03592	1.1
159.04425	5.5
160.01697	0.9
160.05214	2.0
161.02332	1.2
161.06036	2.9
162.06836	1.6
163.03935	2.4
163.07564	0.9
164.04655	1.4
171.04494	1.0
172.05196	5.2
173.04536	1.7
173.06006	6.3
174.03183	3.2
174.06763	2.1
175.03926	7.5
175.07556	2.1
185.05983	2.7
186.06721	2.6
187.03947	2.5
187.07602	2.4
188.04726	3.6
189.05515	5.5
190.06287	12.0
191.03458	2.1
191.05510	2.6
192.04257	1.4
193.04991	4.6
200.04765	6.0
201.05447	2.5
201.09163	1.5
205.60759	0.9
211.13298	6.3
212.08234	1.4
214.06393	1.2
215.07097	2.4
216.04169	0.8
216.07872	3.0
217.08443	1.5
231.13951	0.9
243.10197	1.1
245.11824	1.7
245.15450	0.9
254.04333	2.1
259.13437	1.9
267.06805	0.9
269.15573	1.3
271.13379	8.6
272.13702	1.5
283.13602	2.5
285.15125	1.9
287.12781	1.1
287.16602	3.1
289.11310	0.9
289.14536	4.1
297.15015	12.8
297.18466	1.4
298.15292	1.6
299.12915	3.1
300.13757	1.3
301.14334	1.9
311.12851	1.6
313.14603	1.9
313.18094	1.4
315.16000	33.2
316.16458	2.6
317.14072	1.1
323.16537	5.2
325.14502	13.1
326.14746	1.2
327.15881	1.2
333.17136	9.0
334.17334	1.4
339.16077	1.8
341.17474	7.9
343.15439	5.4
344.16034	1.1
351.10797	1.1
357.17316	2.6
359.18747	1.5
361.16370	1.4
367.15674	1.2
385.16721	1.7
424.06378	0.9
589.08746	1.1
595.28241	1.6
597.25757	1.5
611.26801	2.1
612.27917	0.9
613.28241	1.1
621.25201	1.2
623.23865	4.5
639.27264	4.2
640.27386	1.0
641.24585	3.8
665.24420	3.9
683.26343	11.8
684.26514	2.2
699.09686	0.9
701.26746	100.0
702.27094	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	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02019	0.7
50.14243	0.7
59.01252	100.0
60.01569	1.5
60.72197	0.7
61.67353	0.7
61.98705	1.4
68.15517	0.6
69.96310	3.8
74.67316	0.8
78.95785	1.5
87.00746	0.8
90.81963	0.8
107.41965	0.9
131.35510	0.7
138.65556	0.7
155.07114	0.7
183.72455	0.9
211.13403	1.2
255.23227	2.2
277.21753	1.9
295.22922	1.4
300.78787	0.7
309.50742	0.9
381.52115	0.9
435.35330	0.7
437.12595	0.9
438.13556	4.3
439.14151	1.4
452.14832	0.8
470.12326	0.9
481.15204	34.1
482.15573	8.1
495.16678	10.8
496.17264	3.4
497.18375	4.9
498.18372	1.4
514.15082	2.6
523.16241	1.1
525.13849	1.2
528.16980	0.8
539.15918	2.2
540.16241	7.9
541.16626	1.4
553.17401	0.9
554.18774	1.7
555.18872	56.8
556.19177	15.9
567.19232	1.5
572.15540	16.6
573.15778	3.1
586.17139	6.9
587.17065	1.0
588.38562	0.8
609.19977	0.9
627.21399	1.5
641.12036	1.9
641.22571	29.9
642.22620	8.7
701.24670	63.8
702.24921	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	701.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74095	0.6
59.01251	3.8
61.98689	2.2
71.01254	2.0
73.02805	1.0
81.71037	0.5
85.02818	1.5
87.00753	100.0
88.01090	2.2
88.98691	1.6
89.02341	1.2
93.03308	0.8
95.01273	0.6
99.00742	0.8
101.02323	1.3
104.96886	0.5
105.03349	0.6
107.04953	0.6
108.02054	1.6
109.02840	0.7
111.00648	0.6
112.98775	0.6
113.02343	0.9
119.04923	1.0
121.02857	2.4
122.03617	1.8
123.04426	4.9
130.99765	55.1
134.03673	2.6
135.04396	1.3
137.02359	4.2
137.06010	0.7
139.03931	1.3
145.02898	1.3
145.58589	0.5
146.03680	1.5
147.04439	8.6
148.05229	3.4
149.05981	4.4
150.03188	1.1
152.01100	0.6
158.03592	0.7
159.04478	0.8
160.01668	0.7
161.02325	1.0
161.04543	0.5
161.05904	1.1
162.03171	1.5
163.03912	1.6
163.07651	0.7
164.04750	1.2
165.05537	1.8
172.05258	1.4
173.05919	1.2
174.03169	1.1
175.03926	2.7
175.07617	0.7
176.04555	0.7
185.05957	0.7
187.03886	1.2
187.07570	1.2
188.04707	3.3
189.05377	0.8
191.03532	1.9
192.04237	1.6
193.05005	5.2
197.06042	0.6
199.07680	0.6
199.61369	0.6
200.04750	0.6
201.05521	1.2
201.09259	1.1
202.06300	0.7
211.13338	3.8
213.05310	0.6
214.06374	1.0
215.07050	0.7
215.10818	0.6
217.01523	0.7
217.08803	0.9
218.02264	1.5
219.03023	2.2
237.04082	0.8
243.10335	0.6
253.03537	1.2
254.04303	27.0
255.05019	5.2
255.07050	0.5
285.04218	0.6
287.16608	2.1
297.15024	1.4
305.17752	0.7
313.03696	1.5
315.16058	3.1
323.16608	1.1
329.03165	1.3
333.17188	1.0
339.16040	1.4
341.17664	1.0
343.04785	0.8
343.08502	2.0
349.09430	1.8
351.11011	0.9
357.06412	2.3
357.17108	3.3
358.06653	1.0
359.07651	3.5
377.03021	1.1
378.03534	1.0
379.03662	1.1
407.07895	1.1
435.03482	0.7
436.08224	0.8
437.08365	0.7
445.15555	0.8
446.15671	0.7
451.18445	0.7
463.06937	1.9
463.16043	2.8
464.06885	3.5
465.07446	6.8
465.17514	0.7
471.13263	0.8
472.13858	1.1
473.14941	0.6
491.05841	1.1
492.07123	0.7
495.36215	0.6
600.63324	0.7
641.25964	1.3
665.19800	2.8
683.19067	7.9
684.20776	1.8
701.27380	32.1
702.27826	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	701.1504
Annotation	Podoverine B
Peak:m/z	Relative Intensity
57.13101	1.3
59.01258	7.5
61.98680	4.7
68.85619	1.3
70.73824	3.7
71.01242	3.6
82.12079	1.5
87.00751	38.4
95.01241	3.6
101.02309	2.1
121.02858	3.1
121.71553	1.3
123.00790	3.5
123.04378	4.7
130.99773	19.1
134.03584	2.9
137.02312	5.5
139.03914	2.7
145.02812	2.3
147.04420	11.7
148.05164	3.6
149.06007	3.4
150.06653	1.4
151.00223	2.3
159.04404	3.0
165.05540	1.8
175.03899	2.8
177.01825	4.0
185.02228	1.6
185.05959	1.8
192.04135	3.3
193.04945	4.7
199.03947	1.5
201.01820	1.7
201.05489	2.3
201.09131	2.8
214.06361	1.6
215.03452	2.3
215.07010	2.8
218.02159	3.0
219.02898	2.7
229.01305	2.6
229.08727	2.7
241.05064	2.1
241.28882	1.5
242.02078	2.7
243.02924	2.1
243.10275	2.1
253.03465	2.5
254.04230	9.2
255.05032	3.7
270.01666	3.5
271.02356	5.0
283.02423	2.2
283.13306	1.7
285.04016	5.6
286.04706	4.1
297.00290	2.2
298.01129	2.4
299.01953	4.9
299.05414	1.6
301.03525	3.3
301.07043	5.5
313.03595	23.7
314.03839	5.3
325.03522	2.0
327.01321	1.5
327.05096	2.3
328.05673	8.3
329.03000	11.1
329.06491	2.1
331.08289	2.8
335.01428	1.7
343.04642	2.1
343.08243	23.1
344.05246	4.6
348.02518	1.8
349.03354	1.6
353.03250	1.9
357.06219	7.4
359.07693	16.8
363.04987	2.3
377.02942	2.0
383.07657	3.3
391.04214	2.4
407.03561	1.8
419.03888	4.0
421.09628	2.6
435.03452	9.3
449.09030	1.8
464.07010	1.7
465.08246	15.8
466.08719	2.2
472.13910	3.2
491.06055	7.5
492.06824	4.0
493.07730	7.9
496.37231	2.6
643.10901	2.5
655.13330	2.8
657.15649	2.4
658.12079	1.6
665.18500	3.2
670.12695	4.0
671.13971	8.3
673.14996	19.1
674.16101	3.2
683.19104	5.9
686.12421	2.7
701.14886	100.0
702.15491	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	701.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.3
61.98700	11.4
71.01246	4.2
72.99169	1.8
73.02787	1.7
87.00751	100.0
88.01084	2.7
93.03336	2.5
95.01239	2.2
99.00765	2.6
101.02333	2.1
102.96909	1.4
107.01271	2.1
108.02061	1.8
109.02846	1.5
119.04860	2.1
121.02829	5.7
122.03615	2.5
123.00743	1.9
123.04411	7.1
124.01591	2.7
130.99760	28.0
134.03645	5.2
135.04405	3.3
137.02332	6.4
139.03908	2.9
145.02811	4.3
146.03659	3.1
147.04414	12.3
148.05162	4.3
149.02382	1.4
149.06012	6.4
150.03168	1.9
150.06665	1.6
151.00269	6.2
159.04437	2.9
160.01599	1.6
161.02303	2.4
162.03120	2.0
163.03946	4.0
164.04651	1.8
165.05530	1.8
173.05931	3.7
174.03148	2.5
175.03888	3.8
175.07600	2.2
177.01907	2.4
182.93375	1.4
185.05981	2.1
187.03955	4.0
187.07591	1.7
188.04730	3.2
189.05389	1.9
191.03369	3.3
192.04214	4.6
193.04945	8.0
194.05344	1.6
198.03128	1.9
199.03793	1.7
199.07614	1.4
201.01860	2.3
201.05492	2.2
201.09238	2.0
211.13232	1.4
213.01801	1.6
214.02711	1.3
215.03407	2.6
215.07037	2.3
216.07660	1.9
217.04892	2.6
217.08620	3.6
218.02155	3.3
219.02907	4.7
226.02652	1.4
227.03432	2.3
229.08597	3.4
230.02161	3.7
242.02177	2.4
243.02960	3.9
254.04378	8.8
255.02834	3.2
255.05112	3.2
258.01648	2.3
258.05173	1.7
259.02142	1.4
267.02948	1.6
267.99982	1.8
269.00894	2.1
270.01651	6.8
271.02441	5.8
282.01569	2.0
283.02579	6.5
284.03131	2.2
285.04163	8.2
285.07065	1.7
286.01376	2.2
286.04773	3.2
297.00504	6.1
297.03687	2.2
298.01065	2.6
299.01968	3.2
301.00281	1.8
301.03546	5.3
301.07159	6.5
301.10330	1.6
311.01892	3.6
312.02823	3.5
313.00150	1.2
313.03522	31.5
313.06885	1.6
314.00699	3.1
314.04068	2.7
327.05139	4.5
328.05914	10.2
329.03058	24.5
329.06656	4.9
330.03275	3.1
343.04855	2.1
343.08215	51.2
344.05087	11.2
344.08664	4.6
349.09207	4.2
351.10806	6.1
357.06125	32.5
358.06873	8.1
359.07703	78.8
360.07910	7.8
407.07486	1.4
417.15814	1.6
419.03818	3.4
444.14374	1.8
446.15839	1.9
447.07339	2.2
449.08661	3.2
455.45282	1.5
463.06696	9.2
464.06992	3.1
465.07855	5.3
471.12729	4.0
472.13794	5.5
491.06488	6.7
492.07065	9.7
493.07629	5.3
496.37381	1.9
604.14526	1.9
641.19263	3.2
657.15070	3.6
657.25958	1.4
665.18677	6.7
666.19171	2.6
670.12793	2.6
671.12726	2.3
673.14771	3.7
683.19836	11.5
701.14008	54.3
702.14081	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	699.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
59.01250	7.5
61.98698	4.8
69.03304	0.9
69.30726	7.3
71.01257	6.1
78.95757	1.4
85.02833	1.5
86.09736	0.7
87.00751	2.0
89.02321	4.6
92.95187	0.7
95.04900	1.1
97.06461	7.6
101.02320	4.9
111.08038	4.5
113.02321	2.9
119.03378	2.0
123.08017	3.3
125.09615	51.4
126.09930	2.6
127.11213	1.2
131.34535	0.8
134.03627	0.8
134.81920	0.8
143.10674	1.1
147.04430	1.1
161.04396	1.7
169.12132	0.9
171.10185	100.0
172.10535	4.8
187.09682	38.3
188.10007	1.7
189.05379	0.9
193.05002	0.9
195.13846	1.0
197.11768	23.2
198.12193	1.1
199.13345	1.3
209.11786	1.5
211.13295	4.0
227.12830	0.9
235.08148	4.7
253.09256	14.4
255.23206	3.1
263.20029	1.5
273.18527	0.9
291.19656	10.9
292.19891	1.5
293.21213	8.9
309.20724	29.0
310.21014	2.3
405.17633	2.2
407.19025	1.4
423.18613	7.0
463.06464	2.1
655.40662	0.8
699.39496	56.6
700.39685	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	699.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25753	2.0
59.01247	6.6
71.01247	5.6
71.32205	1.6
71.53440	2.0
71.79604	1.9
78.95784	3.2
89.02325	3.1
93.54397	2.2
101.02298	4.3
107.11012	1.9
111.07980	2.0
113.02318	2.9
165.12717	7.1
183.13834	59.4
184.14107	2.5
207.10226	3.9
209.11752	6.8
217.30063	2.1
225.11266	3.1
227.12813	4.5
253.09215	5.2
253.21715	100.0
254.22035	9.4
255.23337	9.4
277.21710	3.2
293.21188	5.3
441.62888	2.2
699.43207	66.1
700.43475	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56477	1.7
50.57572	1.8
51.02995	1.9
51.62236	1.7
53.81043	1.8
59.01243	3.5
61.98705	11.3
78.95768	39.1
79.95602	7.5
80.96384	8.1
82.46613	2.0
87.00714	2.4
104.62498	1.8
110.98425	20.7
113.09545	3.1
127.84931	1.9
147.04410	4.2
152.99467	2.9
167.01045	7.9
171.59297	2.1
195.13841	10.3
196.14162	2.9
211.13293	3.1
223.13307	5.8
235.17070	2.2
255.23276	81.7
256.23550	9.2
275.20071	5.9
277.21576	3.3
293.21231	100.0
294.21576	8.6
295.22641	9.8
331.18976	2.2
342.38538	2.1
423.25003	8.6
463.24683	10.3
475.33093	2.1
699.45911	39.6
700.46326	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	700.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28960	0.1
54.91364	0.1
61.98704	100.0
62.98407	0.2
69.03442	0.1
69.48984	0.8
73.07947	0.1
87.05140	0.1
149.05966	0.1
182.41615	0.1
237.86267	0.1
254.02080	0.2
269.04535	0.2
270.01697	0.2
285.04001	0.9
289.14371	0.1
297.03891	0.4
298.01172	0.3
299.05511	0.2
313.03546	7.7
314.03830	0.7
327.04953	0.6
328.05865	4.5
329.06268	0.6
343.08209	40.5
344.08545	4.1
357.17258	0.2
611.27118	0.2
612.27417	0.3
637.17792	0.9
638.18341	0.2
664.62048	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	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.1
59.01250	10.3
61.98698	8.6
71.01254	5.8
78.95757	1.0
85.02829	1.6
87.00732	2.7
89.02316	4.9
92.64753	0.8
97.06467	7.8
98.22993	0.9
101.02312	5.9
111.08041	4.7
113.02322	2.7
119.03328	1.4
123.08041	4.5
125.09608	54.8
126.08688	0.8
126.09898	2.2
127.11155	2.2
143.10738	1.0
147.04407	1.8
161.04420	2.1
169.12230	1.6
171.10178	100.0
172.10509	4.8
187.09683	39.3
188.10100	2.1
188.11984	1.0
193.57848	0.9
197.11751	22.2
199.13368	2.1
211.13345	4.6
223.13307	1.2
235.08188	3.8
253.09256	13.9
271.09674	1.7
291.19720	12.2
293.21329	6.2
294.21347	1.2
309.20694	32.3
310.20883	1.9
405.17389	2.2
407.19278	1.1
423.18808	7.8
463.06772	1.9
477.35535	1.1
494.35916	1.1
503.41580	1.2
699.39502	57.1
700.39960	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	699.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32364	0.5
57.03312	0.9
59.01256	6.9
61.98704	1.1
62.93951	0.5
65.00216	0.6
68.22575	0.6
69.03342	0.6
71.01250	3.0
73.02814	0.6
75.00793	0.6
83.01272	0.6
85.02820	2.5
87.00753	100.0
88.01099	1.4
89.02319	1.1
93.03335	2.7
95.01220	0.6
97.06436	0.8
98.20572	1.2
101.02344	1.8
101.09398	0.5
108.02056	1.1
109.02847	2.2
111.00711	0.7
113.02342	1.5
118.02107	0.5
119.04930	0.6
121.02840	1.6
122.03613	0.9
123.00804	0.9
123.04429	2.0
124.01548	1.1
130.99770	5.3
134.03600	1.0
135.04466	1.3
136.01517	0.6
137.02356	1.4
137.09634	0.8
139.03952	1.2
143.04944	0.5
145.02847	1.3
146.03665	5.2
147.04451	2.8
148.05243	1.2
149.02443	1.1
149.05989	4.5
150.03168	1.0
153.01892	0.8
155.03487	0.6
158.03648	0.7
159.04437	3.8
160.01628	1.4
160.05200	1.1
161.02365	2.2
161.04518	0.7
161.05984	1.2
162.03152	9.0
163.03928	2.8
164.04663	2.6
165.05545	1.5
167.03561	0.7
171.04446	0.7
172.05254	2.7
173.04514	3.6
173.06038	3.6
174.03134	2.9
175.03923	3.9
175.07608	0.7
177.01837	0.8
181.08685	1.6
183.04506	0.6
185.06099	1.5
186.06738	0.8
187.03986	2.2
188.04712	12.2
189.01846	0.9
189.05412	2.2
190.02664	0.9
191.03738	1.0
191.05563	8.7
191.07150	0.8
193.04962	3.0
197.06075	1.4
197.11818	1.0
198.06827	0.7
199.07518	0.8
199.13295	0.6
200.04767	1.0
201.05495	1.3
203.03438	2.0
204.04272	1.0
211.13416	1.7
213.05617	0.6
214.06400	1.5
217.04912	1.2
219.02890	0.7
237.04063	1.0
241.05054	0.6
241.10901	1.0
243.10240	0.8
250.06273	0.7
251.03331	0.6
252.02882	1.1
257.04572	0.6
257.15594	0.8
263.07217	1.0
269.15646	1.0
271.13504	0.6
279.06641	0.8
280.07281	1.1
281.08359	1.2
285.15070	1.5
287.16507	0.7
295.09943	2.2
295.13498	2.3
296.13992	0.7
297.15125	1.4
311.16800	0.9
313.14505	8.3
313.17889	1.0
314.15182	1.3
315.16116	1.9
325.76569	0.6
329.17770	1.6
331.15524	3.7
331.19147	0.5
334.86142	0.6
337.09344	1.0
339.15894	4.3
343.08350	0.6
349.09305	0.8
355.15759	0.7
357.17102	8.4
358.17575	1.4
373.16440	0.5
375.18423	1.3
383.08090	0.6
437.16071	0.7
463.14087	1.2
475.15082	1.1
489.12405	1.0
549.24091	1.8
567.24554	10.9
567.32751	0.8
568.25220	2.2
593.26056	6.7
609.26355	1.5
611.27222	6.5
612.27612	1.0
637.25635	1.5
681.24457	1.6
699.25598	20.1
700.26294	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	699.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.6
69.84386	6.3
71.01247	6.4
73.02818	1.5
75.00741	3.3
83.01251	1.8
85.02843	2.2
87.00729	7.2
88.89984	1.5
89.02335	4.3
93.03328	3.8
95.04956	2.0
97.06506	1.8
98.20504	1.4
99.00726	1.7
101.02323	5.4
105.03344	2.5
108.02037	3.3
109.02819	4.1
113.02316	2.8
113.86755	1.2
119.04923	3.4
121.02848	4.1
121.06496	1.6
122.03617	5.9
123.04425	3.3
123.08017	2.5
125.09600	11.3
133.02823	1.3
133.06494	3.8
133.68564	1.2
135.04413	4.1
137.02298	4.6
143.04967	2.7
145.02867	3.9
146.03635	6.3
147.04405	15.1
148.05215	7.5
149.02365	2.8
149.06000	38.0
153.13153	1.3
159.04439	3.9
160.05214	3.0
161.02379	1.8
161.04692	2.6
161.05997	19.0
162.06810	7.3
163.00256	1.8
163.03914	3.7
164.04636	2.0
167.10654	4.4
172.05243	2.3
173.06017	2.5
174.03192	2.3
175.03896	6.0
175.07574	2.7
179.03407	1.9
185.11731	13.0
187.03946	5.1
187.07509	3.0
188.04709	2.6
189.05524	14.0
190.99799	3.5
191.03453	5.7
192.04271	1.9
193.05025	11.5
197.43799	1.4
200.08292	1.7
201.05521	3.5
203.07083	5.4
205.05045	1.7
213.05511	4.5
219.02888	3.1
225.09081	2.0
227.07080	1.8
228.07864	4.8
233.04419	3.4
234.05188	1.5
237.04118	9.0
241.08476	1.8
243.10223	2.2
271.02560	2.7
273.15021	2.6
289.10831	1.6
299.02048	7.2
300.02887	2.1
311.16522	7.4
314.04370	3.4
329.17502	8.5
329.23285	1.7
331.08096	1.9
339.15973	24.0
340.16614	3.5
347.18561	3.1
349.09360	1.8
357.17114	25.6
358.17471	2.8
365.12680	1.9
373.16931	1.7
375.18100	3.4
383.14932	6.2
401.16049	6.0
417.13226	1.6
461.07239	16.4
461.13107	2.1
462.07959	3.4
545.20435	2.1
593.26117	10.5
594.26062	2.1
611.27124	7.9
637.25323	8.1
655.26147	14.8
656.26141	2.7
681.24011	24.4
682.24438	6.2
699.25177	100.0
700.25604	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	699.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75560	0.5
54.69696	0.6
59.01252	9.9
61.98705	1.6
71.01244	2.5
73.02809	0.6
75.00715	0.5
78.95783	0.7
81.93427	0.6
85.02824	0.8
87.00761	4.3
89.02318	0.9
93.03346	0.6
96.95925	0.7
98.19706	0.9
101.02317	1.5
107.01254	0.5
108.02032	0.7
113.02333	1.3
117.03351	0.6
121.02841	0.9
130.99724	0.8
134.03615	2.5
136.01543	0.7
137.02321	1.8
146.03674	0.7
147.04398	1.7
147.53452	0.5
149.05981	0.6
150.06734	0.8
151.03867	1.0
161.02309	0.7
162.03101	0.9
162.06776	0.5
163.03932	1.2
171.10222	0.6
173.02202	0.7
173.05933	0.9
176.41638	0.6
177.01866	0.6
177.09132	0.6
179.03494	1.2
192.04265	0.6
193.05017	3.4
196.47371	0.5
212.04817	0.5
214.02992	0.5
225.01840	0.6
227.03384	0.7
239.07069	0.7
240.04222	1.5
241.01495	0.8
244.03773	0.6
253.01352	0.9
255.02921	1.0
268.03714	1.5
269.00830	1.8
281.00931	0.7
283.02509	1.5
284.03281	5.0
293.21082	0.9
295.02454	0.6
296.02936	0.8
297.00418	2.3
297.03381	0.7
299.05548	5.9
300.05817	0.7
311.01913	0.9
311.05527	1.2
312.02765	10.5
314.08078	2.7
322.89853	0.6
326.04205	1.1
327.05103	20.7
328.05560	1.1
341.06586	1.1
342.07434	32.0
343.07947	3.5
357.09763	28.4
358.10190	2.6
375.01132	0.8
390.03836	2.2
391.08307	0.9
395.07806	0.8
403.00775	1.4
407.07681	0.8
418.03146	5.4
432.04996	1.3
433.05692	8.3
434.05978	1.2
447.07260	1.2
448.08054	7.6
449.08459	1.2
462.09396	0.7
463.11133	5.9
469.12186	0.6
494.35815	0.8
495.36600	1.6
637.10699	0.6
639.07886	1.1
641.12988	0.7
657.74896	0.6
669.13202	2.9
684.14563	2.6
698.42224	1.3
699.17175	100.0
699.42621	6.0
700.17468	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	697.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
59.01254	10.6
59.73527	0.5
63.87762	0.5
66.03370	1.2
69.03343	0.7
69.25563	5.3
71.01264	6.9
72.99191	1.2
73.02837	2.0
75.00743	0.7
83.01267	1.0
85.02821	4.6
87.00758	5.0
88.05931	0.6
89.02317	1.8
95.01295	1.6
99.00771	3.0
101.02322	2.7
107.04954	0.7
108.02059	57.9
109.02868	14.9
110.02367	2.2
110.03128	0.6
113.02300	3.3
117.03336	0.6
119.04938	1.3
121.02827	0.8
122.03670	0.7
123.00781	1.2
123.04426	1.1
123.51935	0.5
125.02396	1.0
130.99745	0.7
133.02855	0.8
134.03641	9.5
135.04201	1.2
137.02382	0.8
141.74794	0.7
145.02890	1.5
147.04427	2.6
149.02330	0.6
149.06033	1.3
151.03928	2.3
152.01068	100.0
153.01732	5.3
153.05551	0.7
154.02307	0.5
159.04497	0.6
160.01585	1.6
161.04457	2.7
163.03909	5.9
164.04314	0.8
175.03937	2.9
177.01892	3.4
179.03427	1.4
187.03952	0.8
189.01932	0.8
191.03453	1.0
193.05009	11.7
194.05281	2.6
205.12283	1.2
207.02998	1.4
207.10039	0.7
223.13370	1.8
232.33731	0.6
237.04150	0.6
243.10298	1.3
249.11366	0.6
265.07266	0.6
267.12332	1.1
271.02353	0.7
271.08209	0.7
287.09100	1.0
299.01920	0.8
315.07089	1.3
329.06696	1.7
333.09698	1.0
368.10770	0.7
403.12473	1.9
429.10376	9.9
447.11441	35.6
448.11911	3.6
491.13840	0.9
621.25574	0.7
635.23535	1.1
637.21674	1.2
653.25446	3.1
654.24475	0.6
679.22601	1.3
697.23499	75.2
698.23779	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	699.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93474	0.4
59.01260	2.5
61.48793	0.5
61.98684	0.8
63.51410	0.4
69.28873	4.6
71.01242	1.3
73.78397	0.5
75.00743	1.5
76.98532	0.4
80.40274	0.5
83.01245	0.7
85.02850	1.2
87.00755	10.9
89.02303	0.5
99.00794	0.5
109.02834	0.8
113.02276	0.5
117.03340	0.7
119.04885	1.4
121.02814	1.2
123.04379	1.3
130.99712	1.2
132.02058	0.7
133.02892	1.0
134.03659	4.6
135.04396	1.9
137.02351	1.8
145.02925	1.0
146.03616	0.8
147.04440	5.7
148.05136	1.4
149.05988	8.0
150.06706	2.0
159.04420	1.1
160.01595	3.9
161.02278	1.4
162.03157	0.7
163.03889	1.5
163.07567	1.2
163.14531	0.5
164.04677	1.4
165.03943	2.1
165.05354	0.7
167.03386	0.6
172.05153	0.6
173.05965	0.6
174.01649	0.8
174.03062	1.1
175.00227	0.5
175.03931	9.5
175.07510	0.7
177.01842	1.2
177.09123	0.7
178.02536	0.6
179.03343	1.0
179.10707	0.9
187.03954	1.0
188.04710	0.9
189.01854	0.7
189.05469	0.5
191.03464	1.1
191.05482	0.5
192.04170	0.8
193.04985	6.8
194.05345	0.5
200.04761	0.7
201.05563	0.7
202.06319	0.5
203.03499	0.5
207.06731	0.6
209.05989	0.7
217.01285	0.5
218.02089	0.7
219.02939	7.8
227.03452	1.1
227.79866	0.6
237.04057	2.9
241.04961	0.8
253.05016	0.5
255.03030	1.8
262.02899	1.2
263.03500	0.6
271.02380	0.7
278.02115	0.8
285.03934	0.8
290.02222	1.9
299.01926	1.9
305.04410	0.8
306.01526	1.4
313.03488	0.9
314.04355	0.9
318.01727	1.6
321.04071	0.9
327.01447	3.2
328.05847	0.6
329.03101	0.6
329.06573	1.4
332.03430	0.6
333.03976	1.3
334.01105	2.7
342.03754	1.2
345.00516	1.1
346.01221	0.8
349.03540	7.1
350.04092	1.0
355.15604	0.6
357.06134	11.8
358.06491	1.0
360.99594	0.6
361.03485	2.0
363.05112	1.4
364.05881	0.7
373.16513	0.6
377.03021	25.8
378.03363	2.7
379.08243	1.8
391.04568	1.9
392.05399	7.6
393.05569	0.7
403.00964	1.9
405.02390	5.1
407.07709	19.4
408.08182	2.5
416.01761	1.0
419.04288	1.1
420.04791	1.7
432.01089	0.8
433.01242	7.3
434.01880	1.0
435.07233	11.6
436.07532	1.5
447.03827	1.2
448.04224	1.9
458.99438	0.7
460.00610	0.6
461.14810	0.8
463.06714	100.0
464.07077	11.3
475.03555	0.6
489.04663	10.8
490.05435	8.5
491.05927	1.3
494.36069	1.3
495.37140	3.5
537.21210	5.2
611.04724	1.2
627.15033	1.3
632.50452	0.5
637.19183	0.7
639.41058	0.6
641.10010	0.8
663.17200	0.8
671.14130	5.3
672.14526	1.2
681.18524	3.4
699.14160	8.1
699.39734	1.2
700.14050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.7
60.11621	0.6
61.98692	0.9
67.06078	0.8
68.64104	0.7
71.01247	3.0
71.05962	0.9
71.06290	1.1
72.99221	0.8
73.02808	0.7
74.98833	0.7
75.78617	0.7
78.03299	0.7
83.01270	0.9
85.02829	3.1
87.00746	2.9
90.24284	0.7
93.03309	1.5
95.01257	1.2
96.01553	0.7
96.95879	2.7
99.35746	0.7
101.02309	1.3
103.31526	0.7
107.04928	0.7
108.02053	46.3
109.02858	8.2
113.02354	1.2
119.04918	1.4
121.02834	1.9
123.00691	0.7
123.04401	0.8
125.02316	1.5
134.03638	24.6
135.04414	4.3
137.02318	1.7
142.88893	0.7
147.04422	2.8
149.05978	11.7
150.06166	0.9
151.00240	1.4
151.03908	0.8
152.01054	81.3
153.01730	5.4
157.17244	0.7
159.04414	1.8
161.02377	1.2
161.05910	0.7
163.03923	4.1
164.04735	0.8
165.05341	0.8
172.05176	1.8
173.06004	3.0
175.03798	1.0
177.01877	1.4
178.02586	1.2
179.01932	1.0
179.03365	5.0
187.07536	1.8
191.05571	1.4
192.04179	1.5
193.05025	1.2
201.05444	1.0
201.07385	0.7
201.09091	3.7
204.07832	1.0
207.02864	1.0
215.07028	1.7
216.07922	1.7
217.08501	1.0
225.09105	1.1
227.10738	3.2
239.32875	0.8
243.10283	1.3
245.11746	3.8
253.07144	5.8
267.08862	3.9
271.09665	1.0
289.10797	8.0
290.11148	1.4
311.05634	1.3
312.02832	1.0
321.13260	1.3
333.09647	1.4
365.07849	1.3
365.12393	27.0
366.12750	1.5
414.71814	0.8
429.05035	1.2
429.10327	16.1
430.10507	1.2
519.07776	2.1
697.19806	100.0
698.20087	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	697.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89052	0.4
52.82485	0.5
57.03316	1.0
59.01254	10.2
61.98699	0.5
63.94012	0.4
70.79993	0.5
70.80305	0.8
71.01254	6.3
72.99175	0.8
73.02822	2.1
83.01277	0.8
85.02825	3.5
85.41117	0.4
87.00760	2.8
89.02306	1.7
93.03327	0.5
95.01283	1.2
99.00756	2.2
101.02338	4.2
107.04838	0.7
108.02059	45.9
109.02866	12.6
110.03193	0.7
113.02342	3.2
119.04949	0.6
121.02875	1.3
123.00767	0.9
123.04408	1.0
125.02322	0.8
133.02806	0.5
134.03639	1.6
135.04443	1.1
137.02351	1.3
143.32379	0.5
146.03642	0.8
147.04391	0.8
148.85553	0.5
149.05960	0.9
151.03891	2.5
152.01064	100.0
153.01768	5.7
153.05438	0.6
157.67429	0.5
160.05157	0.7
161.02332	1.1
161.04482	2.2
162.06845	0.7
163.03929	5.5
173.06113	0.6
175.03957	1.4
175.07585	1.3
177.01845	1.2
179.03412	0.9
188.04813	0.6
188.88365	0.5
191.03394	0.6
193.05011	2.4
194.05406	0.5
201.05486	0.6
201.09158	0.6
203.07080	0.9
207.02875	0.5
219.02864	0.9
223.13457	1.0
243.10168	0.7
271.08261	1.7
285.04053	0.6
287.26324	0.5
293.08322	0.5
297.06152	0.8
311.16510	5.2
315.07190	2.7
327.15958	2.7
329.17557	1.9
330.17880	0.6
337.14487	0.6
345.17065	2.3
355.15515	1.3
371.14969	1.0
373.16605	1.6
403.12668	0.9
429.10403	6.7
447.11456	38.1
448.11734	2.9
530.19012	0.5
609.25513	2.9
635.23553	1.1
637.21362	0.7
653.24561	5.9
654.25134	1.1
679.22626	5.8
680.22943	1.4
697.23505	88.2
698.23877	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	697.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20222	3.2
59.01249	15.3
65.00227	3.4
69.03312	3.6
69.81297	15.1
69.83927	3.2
71.01257	15.7
72.99209	4.9
75.00760	11.9
80.70963	3.3
81.03308	4.0
83.01263	6.1
85.02821	12.7
86.41193	2.8
87.00735	15.4
89.02298	5.2
93.29726	3.1
95.01292	3.5
99.00744	7.8
105.03306	3.3
107.01298	5.0
108.02061	7.0
109.02830	7.2
111.78322	3.0
113.02340	15.8
121.02856	6.5
123.04397	5.6
125.02347	11.4
131.03287	3.2
133.72923	2.9
135.04422	41.3
136.04730	4.1
137.02330	6.9
139.06973	2.8
149.02341	8.6
151.00261	9.1
152.01010	4.8
159.04422	19.9
160.05153	3.3
160.72240	3.2
161.02344	8.4
161.06017	5.5
163.00294	4.5
165.01733	6.6
167.03380	5.7
173.02348	6.9
173.05962	7.5
175.03955	6.7
179.03415	4.1
180.97327	3.5
185.06076	4.4
186.65991	3.5
193.01349	62.8
223.02434	15.9
240.95667	3.6
241.05064	7.0
249.05937	10.0
254.05797	9.8
255.06555	10.8
256.07382	26.7
266.05850	4.9
267.06967	16.8
269.08157	4.9
271.09796	17.0
281.04404	5.3
282.05286	12.5
282.08749	5.1
295.06210	8.4
296.06717	6.3
297.07672	30.4
297.11124	8.2
298.08420	5.6
299.09158	6.5
307.06064	9.4
308.06827	8.9
313.10443	3.6
323.09192	11.2
325.07388	4.3
329.06656	39.9
334.26706	3.9
339.08566	5.6
359.07779	5.2
367.08340	5.9
429.08533	6.0
449.10724	4.6
502.40823	3.8
515.87585	3.5
521.12878	5.3
533.13043	37.6
534.13336	7.7
635.17224	4.3
637.14081	14.1
653.17535	23.9
661.14343	10.3
697.16101	100.0
698.16449	20.7
725.39740	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	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73954	0.3
57.03323	0.3
59.01252	100.0
60.01591	1.2
61.98701	2.8
62.52881	0.3
71.01247	1.8
73.02823	0.6
75.00785	0.3
79.12911	0.3
83.01281	0.4
85.02844	0.6
87.00771	1.1
89.02364	0.3
94.24323	0.3
101.02346	1.0
108.02172	0.4
113.02337	1.0
115.88962	0.3
119.04928	0.8
121.02832	1.7
125.02354	0.4
134.03629	0.6
147.04422	0.8
149.05905	0.3
162.06795	1.0
163.03926	0.5
163.07536	0.7
171.10204	3.3
173.06032	0.4
177.09192	0.7
191.03510	1.2
193.05000	0.6
209.04564	1.1
209.11797	0.8
215.07106	0.4
230.51434	0.3
250.62119	0.3
285.03677	0.4
289.18073	2.4
295.03912	0.3
307.19235	0.4
475.34863	0.5
593.13605	0.6
637.40411	0.4
653.39276	1.9
654.39484	0.4
655.41315	0.4
696.81512	0.5
697.31738	0.7
697.41846	3.0
717.75275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91322	0.3
59.01256	3.0
62.04615	0.2
69.23780	1.9
69.24194	0.6
70.11133	0.3
71.01250	2.2
72.99191	0.3
73.02814	0.9
75.19408	0.2
85.02834	1.2
87.00760	0.8
89.02325	1.9
89.03842	2.0
90.16694	0.3
93.03331	0.4
95.01241	0.3
95.91436	0.3
97.41512	0.2
99.00774	1.4
101.02337	1.1
105.46815	0.3
106.04143	0.5
111.00842	0.2
113.02322	2.0
117.03350	6.3
121.02859	0.4
130.76604	0.2
132.02080	2.6
133.02805	0.3
134.03630	88.4
135.03957	4.1
137.02341	1.3
139.03893	0.4
143.03394	0.4
149.05986	7.1
157.52437	0.3
160.01578	6.9
161.04596	0.3
172.47073	0.2
173.04369	0.3
175.03923	9.3
176.04109	0.4
178.02620	2.6
189.12666	0.6
191.05566	0.4
193.04990	100.0
194.05333	5.6
261.73694	0.3
270.01715	0.3
305.84341	0.3
387.20319	0.3
477.12244	0.5
501.23181	2.1
519.24542	0.5
695.29279	3.9
696.29181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01574	1.3
61.78474	0.7
78.95775	12.9
83.94967	0.8
86.91143	0.8
112.96352	0.9
134.58897	0.8
135.36818	0.7
141.74846	0.9
203.80699	0.8
205.15933	1.5
219.71788	1.0
272.70139	0.8
695.31110	52.5
696.31531	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	695.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84454	1.1
59.01253	13.4
61.98706	2.6
70.66013	2.6
71.01258	4.3
71.53188	1.2
72.84109	1.3
73.02821	1.8
78.95762	2.5
85.02840	3.0
87.00754	7.6
89.03818	1.3
91.05396	3.3
93.03346	2.9
95.01275	1.5
101.02312	2.6
108.02039	6.0
109.02846	33.7
113.02333	2.5
117.03344	5.1
119.04947	2.3
121.02850	15.8
123.04420	6.8
130.99774	1.8
132.01164	1.8
132.02074	23.7
133.02867	2.8
134.03635	70.7
135.04434	39.7
136.04778	1.6
137.02328	3.5
145.02838	1.5
146.03587	2.0
147.04407	13.6
148.04916	1.6
149.05989	16.0
159.04384	2.3
160.01575	79.9
161.01979	4.3
163.03902	2.2
163.07588	3.0
171.00603	1.5
173.04439	4.8
173.05872	2.4
174.03119	1.8
175.03928	98.3
176.04257	5.9
178.02623	5.9
187.07565	2.0
191.03436	1.4
191.05563	3.2
192.04178	1.8
193.04999	100.0
194.05338	5.1
197.06012	2.9
199.04019	1.3
201.09152	2.9
202.02679	1.7
203.07011	1.4
211.13263	1.6
212.08392	1.7
214.06343	1.3
215.07001	1.2
216.04147	1.7
217.04990	3.4
229.08688	1.8
231.06566	2.9
238.06319	2.0
241.05057	2.0
241.33504	1.3
253.08710	2.8
256.07321	2.1
271.09753	80.0
272.10144	5.9
295.09839	2.0
319.76260	1.3
343.07959	2.5
344.08160	1.9
379.10339	44.9
380.10461	3.0
397.13300	1.3
441.63492	1.3
447.14639	1.5
457.14957	1.3
473.33096	1.3
491.34143	2.8
491.75305	1.2
503.89575	1.3
587.89978	1.6
651.20721	22.2
652.21021	6.0
695.17651	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	695.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.7
61.98696	1.5
69.96067	0.3
71.01263	1.8
72.99183	0.8
73.02815	0.6
75.00758	0.8
85.02821	1.6
87.00748	4.0
87.36742	0.3
89.02309	0.6
93.03335	0.8
97.11125	0.3
99.00808	0.9
100.18520	0.4
101.02310	0.9
108.02047	0.5
109.02803	0.5
111.00738	0.5
113.02345	0.9
117.03367	0.7
119.04919	2.5
121.02839	0.5
125.02332	0.4
132.02052	2.9
133.02844	1.4
134.03625	7.3
135.04477	0.3
136.01543	1.1
137.02333	1.3
140.63083	0.3
145.02861	1.5
145.98807	0.3
146.03790	0.3
147.04430	1.6
148.05199	0.4
149.02341	0.5
149.05946	1.4
149.99466	0.3
151.00299	0.6
151.03911	0.9
152.67456	0.4
159.04518	0.4
160.01576	11.2
161.02237	1.4
163.03929	4.1
164.04208	0.7
165.04074	0.4
172.05270	0.3
173.04488	0.5
175.03917	14.3
176.04416	0.8
177.01747	0.7
177.05322	0.4
178.02661	0.5
179.05702	0.4
185.02257	0.5
185.05960	0.4
186.06746	0.4
191.03392	0.5
191.05507	3.1
191.07033	0.4
192.04266	0.3
193.05000	6.8
194.05344	0.5
197.02374	0.4
202.02629	0.3
211.04034	0.7
212.04802	0.5
213.05362	0.4
215.07031	0.6
217.04944	0.9
224.04637	0.7
225.01869	1.0
226.02699	0.5
227.03464	2.3
228.04068	0.7
229.01468	0.3
229.08713	0.3
235.06087	1.3
237.03972	0.4
239.03360	0.4
239.07147	0.6
240.04259	2.0
241.01488	1.1
241.04904	0.5
242.02260	0.5
244.03670	0.7
253.01431	1.3
255.02911	2.7
255.06667	0.8
256.03625	1.2
259.06128	0.4
265.07227	0.6
267.02792	0.5
267.07101	0.5
268.03824	1.6
269.00955	2.4
269.03473	0.4
270.01376	0.5
279.99786	0.3
281.00937	0.7
283.02408	1.2
283.05746	0.7
284.03275	10.6
285.03995	1.9
296.03183	2.1
297.00412	3.4
297.03860	0.7
298.04810	0.5
299.05585	7.1
300.06085	0.4
311.01941	1.4
311.05606	0.9
312.02747	13.9
313.03207	1.6
313.07190	1.0
314.08008	3.7
315.08658	0.4
322.06970	0.7
326.04376	0.5
327.05090	23.4
328.05438	2.9
337.09271	12.8
338.09668	1.4
341.06638	1.1
342.07443	42.2
343.07858	5.8
344.08441	0.5
345.08554	0.4
357.09781	100.0
358.10129	9.6
445.12494	0.5
457.21518	0.4
503.10013	0.6
633.17371	0.6
651.35706	0.4
695.17468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03213	0.4
59.01252	11.2
61.98704	5.1
65.03821	1.0
67.01759	0.6
71.01249	3.1
71.10792	0.9
73.02821	1.2
83.01286	0.8
85.02815	0.9
87.00741	3.0
89.02330	0.7
91.05398	4.1
93.03327	3.0
95.01281	0.7
97.02837	0.5
101.02309	1.5
107.01268	1.6
108.02038	1.4
109.02840	11.9
110.03141	0.7
111.04388	0.4
113.02397	1.0
116.79736	0.4
117.03349	27.8
118.03687	1.6
119.04916	15.3
120.15016	0.4
121.02858	6.1
123.04420	1.6
124.01569	0.7
130.99756	0.7
132.02063	5.5
133.02847	1.9
134.03630	9.4
135.04417	37.0
136.04776	1.7
137.02354	5.0
138.03113	1.2
145.02855	100.0
146.03183	4.5
147.04424	6.7
149.02466	0.5
149.05989	4.1
151.00261	1.7
151.03915	0.5
153.05466	2.7
159.04414	1.6
160.01573	23.3
161.02344	3.1
161.04428	0.5
162.03087	0.5
163.03914	16.9
163.07593	0.7
164.04626	2.0
169.01437	0.5
171.10271	0.5
175.03915	25.5
176.04291	1.2
177.01909	0.7
177.05464	0.7
178.02634	1.2
179.03391	0.9
179.05681	0.5
179.07027	2.3
184.05035	0.4
185.05995	0.6
187.03958	2.6
187.07507	0.5
189.05452	0.7
193.04990	9.8
194.05286	0.8
197.06004	0.6
197.98984	0.5
201.09200	0.5
202.02669	0.6
211.13297	1.1
215.07079	0.8
216.07576	0.6
217.04944	0.7
223.13091	1.1
227.07104	0.5
249.11061	1.7
253.08791	0.5
254.05836	1.3
255.06651	0.5
256.07285	0.6
256.60718	0.5
267.12204	0.7
269.08136	1.4
271.09744	15.4
272.10114	1.2
285.04004	1.1
289.07095	0.5
295.09903	0.5
295.22891	1.0
296.23199	0.7
300.06393	1.1
301.10800	26.0
302.11148	1.9
314.03882	0.5
315.08734	19.1
316.09119	1.8
325.10822	0.6
349.09271	20.8
350.09579	1.7
365.08826	1.3
379.10309	8.8
380.10614	0.9
397.13489	0.5
451.09964	0.5
457.15326	1.5
487.16611	1.2
491.34213	0.9
559.81165	0.5
609.19812	1.3
635.40265	1.0
651.20819	35.8
652.21118	9.6
652.29913	0.3
695.31476	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	695.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69366	1.3
59.01256	17.6
61.98705	4.3
62.76103	1.4
70.73178	2.2
70.73489	1.9
71.01248	5.1
73.02821	3.1
79.51669	1.3
85.02824	2.8
87.00757	20.2
89.02332	2.1
91.05431	2.4
93.03344	4.2
99.00791	1.6
101.02329	3.2
108.02081	2.0
108.42020	1.4
109.02839	11.5
113.02335	2.4
115.57523	1.6
117.03367	2.7
119.04916	3.0
121.02848	18.4
122.03604	4.7
123.04410	5.0
125.02370	2.3
130.99728	3.8
132.02072	20.5
133.02866	4.2
134.03636	34.9
135.04449	17.4
137.02327	4.8
145.02826	3.9
147.04449	12.2
148.05058	2.9
149.06004	11.0
159.04390	2.0
160.01575	94.3
161.02390	10.5
163.03917	3.4
163.07510	1.9
166.99445	1.5
173.04445	2.4
173.05823	1.6
175.03929	100.0
176.04269	6.8
178.02663	5.3
187.07509	1.4
191.03383	1.7
191.05592	1.6
192.04091	2.5
193.04993	42.6
194.05293	3.5
201.05418	1.7
201.09132	2.4
202.06154	1.4
208.50032	1.3
211.13379	2.0
213.05504	1.8
213.09184	1.4
217.04984	2.4
229.08595	3.2
230.15912	1.6
243.10046	1.5
256.07343	1.7
257.07935	1.5
262.84290	1.3
271.09735	37.6
272.10193	3.3
313.03522	2.8
343.08264	4.8
365.08725	3.8
372.73621	1.5
379.10327	30.7
380.10666	3.4
397.13141	2.0
457.15005	5.5
491.33936	2.7
591.19165	1.8
651.20831	40.9
652.21057	8.0
695.29340	1.7
695.41370	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	695.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47179	0.6
59.01251	4.1
60.63256	0.6
61.98669	0.7
64.12816	0.6
70.08828	1.1
70.09226	1.5
71.01256	3.5
72.99203	0.8
73.02813	1.3
75.00739	0.8
85.02827	2.7
87.00748	2.8
89.02305	1.0
89.03854	2.3
93.03334	1.5
98.19912	0.7
99.00767	1.2
101.02345	1.1
108.02042	0.8
109.02811	1.7
111.00716	0.8
112.43440	0.6
113.02319	2.6
117.03356	5.9
119.04883	1.4
121.02835	1.2
123.00778	2.9
123.04401	0.6
124.01561	7.8
125.02403	0.7
132.02063	1.4
133.02803	0.8
134.03632	80.1
135.03918	3.3
137.02336	1.8
138.03120	1.8
139.03894	6.2
140.04254	0.6
145.02867	1.0
147.04424	1.9
149.05991	8.3
152.01065	1.5
153.01804	0.9
156.29669	0.9
159.04492	0.6
160.01581	6.0
163.03960	1.7
173.04507	1.4
175.03926	10.1
178.02650	4.8
191.03503	0.7
191.05536	2.3
193.04996	100.0
194.05315	6.0
241.05142	0.8
255.03156	0.9
267.06836	0.9
289.10724	0.7
300.02786	1.4
327.05441	0.7
333.09708	1.2
353.10107	1.1
358.34317	0.6
415.12643	1.8
457.13583	1.6
458.13947	0.8
473.14859	1.1
475.14615	1.2
477.11789	1.4
651.09784	1.2
651.19965	2.2
695.18481	1.0
695.24628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39006	1.8
59.01248	16.2
60.48373	2.0
71.01238	3.3
71.41313	3.3
87.00763	7.4
91.05434	2.6
93.61488	1.9
93.66287	1.7
109.02843	18.2
121.02837	11.7
123.04398	4.5
130.99706	2.6
132.02066	24.4
133.02858	4.1
134.03635	36.6
135.04433	39.1
137.02316	2.6
147.04469	3.3
149.05994	17.2
160.01572	86.9
161.02168	9.3
163.03848	2.3
171.10146	2.3
175.03923	100.0
176.04280	5.4
178.02715	4.8
193.04993	41.4
271.09747	53.7
272.10202	7.7
365.08829	8.3
379.10303	39.3
380.10641	5.0
397.12949	2.8
428.97192	2.1
457.15094	6.0
598.12213	2.3
651.20898	46.7
652.21442	9.5
655.90558	2.3
695.24695	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	695.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23560	1.9
59.01237	4.7
69.51733	10.7
69.52152	3.7
71.01237	2.6
75.00677	2.0
85.02811	11.2
87.00747	3.2
93.03307	7.2
98.19893	4.3
107.53428	1.9
107.61951	1.8
109.02821	3.3
111.04387	1.8
122.31711	2.8
123.14223	2.2
127.03838	2.1
135.04424	26.5
136.21262	2.2
137.02330	2.2
159.03322	2.0
161.02354	6.4
173.04489	2.6
177.01852	3.3
191.05530	45.4
192.05969	2.1
204.66011	2.0
211.03918	3.7
212.04596	3.0
213.05420	2.9
227.03444	5.7
229.04982	2.2
238.17712	2.0
239.03365	4.0
240.04190	2.5
241.01271	2.7
241.05019	32.7
242.05728	2.5
243.02911	3.6
255.02832	3.2
256.03870	10.3
257.04449	5.5
267.02954	3.6
284.03128	5.6
285.04050	4.6
299.05646	2.8
312.02704	7.8
313.03409	11.3
314.04013	2.4
314.07883	2.8
327.05096	6.1
328.05545	3.5
342.07367	40.8
343.08276	13.1
369.07944	3.5
378.63937	2.1
385.03409	3.4
386.04227	3.3
387.04907	3.5
388.05621	3.0
400.10367	5.9
401.10614	4.1
403.07953	2.9
411.05099	3.1
415.04385	3.7
417.05997	4.5
426.07034	2.5
429.05795	2.9
432.08813	2.8
447.06839	8.6
447.11349	7.8
459.10892	4.1
462.09259	3.5
473.04935	5.7
475.10394	3.6
477.11920	100.0
478.12350	11.8
503.09784	31.0
504.10281	4.4
521.10876	11.1
555.89807	2.2
676.27704	2.3
677.14771	13.7
678.14355	2.6
695.16083	87.3
696.16437	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	695.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	23.8
71.01252	7.4
71.54198	4.8
72.04131	3.0
72.99161	4.8
73.02816	6.5
73.56580	3.0
75.00713	4.9
78.97799	3.4
83.04906	3.9
85.02830	25.2
87.00735	16.8
89.02296	4.6
93.03330	20.1
99.00728	3.2
101.02282	5.8
108.02057	11.5
109.02837	8.7
111.04438	4.3
113.02331	7.9
119.04917	5.1
121.02820	4.0
129.01909	3.2
134.03688	22.1
135.04434	33.7
137.02325	11.6
147.04407	9.4
149.05986	11.5
151.03860	3.8
152.01035	11.9
160.01590	9.8
161.02321	11.0
163.03922	7.1
165.05522	5.4
171.04440	4.4
173.04474	9.9
173.05841	4.8
175.03905	13.4
177.01920	3.8
179.03432	4.0
181.04892	6.6
183.13803	5.0
191.03696	6.0
191.05537	89.7
192.05847	4.4
193.04980	37.9
209.06108	3.1
211.03951	6.3
213.05385	3.2
219.02962	7.5
225.94987	3.0
227.03355	5.9
239.03340	4.5
240.04288	3.5
241.05005	45.2
243.02980	5.3
255.02856	5.0
256.03690	12.8
257.04510	7.8
284.03265	10.7
299.05576	3.9
312.02722	6.9
313.03354	7.9
314.08008	3.8
327.05008	8.4
342.07437	46.7
343.08231	18.5
386.04376	4.6
387.05124	4.0
411.05255	7.9
415.04428	4.7
426.07535	5.0
431.11783	7.1
440.73383	3.6
441.09451	5.0
447.06378	20.9
459.11008	4.2
461.08591	3.3
477.11957	100.0
478.12439	14.7
503.09796	29.1
504.10074	5.4
521.10870	22.5
635.25970	7.6
651.35559	3.8
658.26959	3.6
677.15454	12.1
678.15521	4.8
695.16199	92.7
695.27118	29.0
696.16431	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	695.1581
Annotation	Terrestrin G
Peak:m/z	Relative Intensity
52.53716	0.3
58.89577	0.3
59.01254	3.5
61.98706	8.7
66.91990	0.2
71.01247	0.4
71.39673	0.6
75.00709	0.3
87.00757	1.0
97.61582	0.3
121.02776	0.3
147.04428	0.9
167.77202	0.3
171.10361	0.3
211.13351	0.4
215.07079	0.7
216.07474	0.4
272.46207	0.3
291.06424	0.3
316.80179	0.3
343.08105	0.5
344.08362	0.4
359.94730	0.3
479.05722	0.7
496.05759	0.3
508.05780	0.6
509.06750	0.4
520.06390	0.8
523.04840	1.7
536.05652	1.6
537.05634	0.4
548.05469	0.8
550.07251	0.4
564.05286	1.3
579.07440	0.6
592.04358	1.6
607.07031	3.6
608.06989	0.4
621.08527	1.2
622.09180	1.0
635.06384	15.4
636.07013	2.4
637.11572	3.8
638.11627	0.7
649.07629	2.4
650.08490	1.4
651.12836	0.5
664.10828	0.5
665.11157	18.2
666.11218	3.1
679.12915	1.7
680.13354	2.4
694.15808	0.5
695.15814	100.0
696.16113	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	695.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.8
65.00195	1.0
69.03316	1.3
69.66563	1.2
71.01244	3.7
71.53020	1.8
72.99157	2.2
75.00755	6.1
80.41453	1.1
83.01252	1.6
83.04878	1.4
85.02808	4.9
87.00758	5.3
89.02319	1.8
93.03338	9.9
96.95869	2.1
99.00748	3.1
99.04353	1.7
101.02350	1.1
108.02013	2.5
109.02831	1.7
111.04379	2.1
113.02348	1.5
116.66867	1.0
119.03429	1.0
119.04895	2.8
121.02774	1.3
123.00729	1.4
123.01743	1.3
133.02806	1.6
133.96738	1.1
134.03596	3.9
135.04420	22.3
137.02322	4.1
145.02843	2.3
147.04404	2.4
149.05968	4.6
151.00133	1.2
151.03920	1.6
152.01054	2.7
153.01860	1.5
155.03346	1.4
160.01572	1.4
161.02338	10.8
163.03893	2.7
164.04753	1.2
167.03465	1.2
168.04330	1.3
171.04411	1.5
173.04393	4.6
175.03877	3.1
177.01866	1.7
177.05540	1.7
179.03407	2.5
185.05949	1.5
191.05533	13.3
193.04932	4.4
197.06017	1.3
198.03098	1.3
201.05414	1.2
201.08997	1.0
203.03372	1.7
211.03877	4.9
212.04765	1.4
213.05492	3.3
223.04025	1.2
225.01892	1.5
226.02580	1.7
227.03491	6.7
237.03957	1.9
238.02800	1.6
239.03464	2.8
240.04269	3.2
241.01277	2.1
241.05048	27.5
242.05435	2.8
243.02997	5.3
254.02130	2.0
255.02875	3.1
256.03714	8.6
256.06149	1.7
257.04395	5.9
267.02942	2.8
268.03665	1.9
269.00821	2.6
269.04657	1.5
270.01694	2.1
271.02426	4.1
282.01501	1.7
283.02466	1.5
284.03360	5.5
285.03949	4.7
297.00424	1.5
297.03851	2.1
299.01968	3.8
299.05368	2.8
300.02692	4.3
312.02844	8.1
313.03519	10.3
314.04172	2.6
314.07935	2.4
327.05066	4.3
327.08569	2.4
328.06149	5.3
329.03168	3.3
342.07495	28.1
343.08218	17.7
359.07745	2.6
373.02963	1.4
373.07126	1.7
385.03314	2.0
386.04163	2.4
387.05011	3.5
401.06479	2.0
403.08228	2.1
411.04980	5.9
412.05515	1.8
415.04205	2.7
417.05957	2.3
419.07776	1.7
426.07666	5.4
427.08298	2.0
429.05878	2.2
433.09000	1.3
441.09744	2.1
446.95404	1.2
447.06400	10.4
448.07486	2.7
459.10770	1.5
461.08826	3.3
462.09595	3.5
473.04849	2.0
477.11874	63.9
478.12411	7.8
480.09622	1.5
503.09879	13.3
504.10098	1.6
521.10968	10.6
522.11041	1.8
545.13947	2.4
563.11377	1.8
609.14252	2.0
651.15118	2.6
677.15082	31.5
678.15454	7.0
695.16101	100.0
696.16351	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00498	0.7
59.01254	5.5
61.98695	0.8
63.02274	0.8
71.01256	3.9
71.53864	0.8
72.99174	0.8
73.02804	0.7
81.95293	0.7
83.01288	0.8
85.02829	2.0
87.00756	3.3
89.02321	1.2
89.22743	0.9
93.03357	1.8
101.02302	0.8
107.01279	0.8
108.02065	1.4
109.02831	2.4
113.02320	1.4
119.04921	2.8
121.02838	0.9
123.00776	0.8
124.01564	1.1
127.20972	0.8
133.02866	1.6
134.03638	6.3
135.00702	0.7
135.04405	0.9
137.02342	1.3
145.02840	0.8
147.04399	1.7
148.01582	1.3
149.02393	1.0
149.05971	2.0
150.03149	1.9
151.00267	3.9
152.01059	2.2
153.01872	1.5
160.01561	1.3
161.02327	1.4
163.03880	3.0
165.05414	0.7
171.04422	1.1
173.04475	1.1
175.03973	3.3
181.04799	0.8
189.01910	0.7
191.03482	0.7
191.05486	1.1
193.04996	11.2
199.03918	3.4
215.03418	2.2
226.02687	1.2
227.03442	4.2
243.02977	5.7
244.03365	1.0
255.02997	7.6
267.02896	0.9
271.02475	67.6
272.02905	6.2
285.04117	1.9
299.01968	90.8
300.02686	60.7
301.03113	4.8
313.03445	1.5
314.04297	17.5
315.05078	20.6
316.05402	2.3
343.08072	1.0
343.15536	0.8
357.06018	1.3
403.17496	2.4
503.10379	0.8
507.01895	0.9
591.13477	1.7
609.14557	6.1
610.14825	1.1
651.15680	100.0
652.16028	20.2
695.16302	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	693.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
63.36129	0.5
65.03833	1.6
65.91279	0.5
78.95787	1.0
86.73950	0.6
91.05415	5.7
93.03342	1.1
97.29102	0.5
97.54116	0.5
108.02071	2.6
109.02842	24.3
119.12305	0.6
121.02846	11.3
123.04426	4.9
134.03650	6.2
135.04417	56.6
136.04738	2.0
147.04399	4.7
148.04926	0.6
149.05995	12.5
152.99509	1.9
159.10207	1.2
185.11716	0.8
197.05981	1.3
201.81340	0.7
209.11839	0.8
212.08389	1.2
214.06276	1.3
229.08588	1.1
238.06303	1.7
241.05086	1.7
253.08867	1.8
255.23271	2.6
256.07401	1.6
271.09750	100.0
272.10068	7.3
277.21613	0.8
415.13800	1.2
649.26666	0.8
693.38232	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	694.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34718	0.7
57.12856	0.7
59.01240	3.1
60.18208	0.7
61.98691	0.9
71.01253	1.8
71.53503	0.8
72.99191	2.2
73.02843	0.8
78.95741	0.8
79.38443	0.7
85.02835	1.0
87.00767	3.3
89.03846	1.6
95.08881	0.7
99.00740	1.0
99.92464	1.6
101.02351	1.0
104.07235	0.7
106.04052	0.8
106.36739	0.8
108.02042	5.7
113.02327	2.0
116.92740	17.7
117.03336	4.0
119.04932	1.3
121.02827	0.8
123.04409	1.1
129.33742	0.7
132.02103	3.2
134.03630	68.8
135.04030	2.9
137.02321	1.8
138.01871	65.5
139.02206	2.5
139.03864	0.8
147.04431	1.2
148.17891	0.7
149.05984	7.7
150.06409	0.9
160.01584	6.8
161.02312	1.1
163.03900	1.6
167.03383	2.3
175.03922	9.0
176.04253	1.2
178.02660	8.1
191.05550	1.7
193.04993	100.0
194.05316	7.2
201.05553	0.7
212.74966	0.6
214.30229	0.8
313.03555	1.0
343.07916	1.7
344.08478	0.9
414.10623	3.5
456.11148	1.4
473.98914	0.7
474.12497	2.7
503.09808	1.2
650.17798	1.3
694.18488	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	693.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21963	0.8
52.62479	0.8
57.03326	6.0
59.01251	100.0
69.03305	1.2
71.01253	21.8
71.04897	1.4
72.99195	4.6
73.02822	6.9
75.00740	7.5
83.01257	1.8
83.04882	3.2
85.02823	15.1
87.00751	47.3
89.02317	3.5
95.01257	3.9
97.02825	1.1
97.06454	1.3
98.20716	1.3
99.00784	9.3
100.67764	0.9
101.02312	10.2
103.00251	1.8
106.56281	0.9
107.04927	5.9
109.02810	1.2
112.01538	1.6
113.02336	19.4
117.01818	0.9
117.03328	1.4
120.05678	3.1
121.02832	0.8
129.01836	1.2
130.99753	7.4
132.02036	1.1
133.02811	1.8
134.03645	12.7
135.04401	3.2
135.11691	1.0
137.02335	1.3
145.10106	1.8
147.04395	2.5
149.05959	1.3
152.04625	1.4
159.02829	1.1
160.01573	6.1
161.02405	1.2
161.04477	8.2
161.09634	13.9
161.13269	9.7
163.03889	1.3
163.11209	7.7
165.26822	0.8
171.04248	1.0
175.02467	1.4
175.03883	6.6
176.04285	1.0
177.01802	0.9
179.10730	1.5
187.11206	21.9
188.11665	0.9
189.09161	7.9
190.09416	0.8
191.05640	1.2
193.04962	6.4
195.63850	0.9
203.10674	1.3
205.12300	12.0
206.12589	1.0
207.10213	12.3
223.13351	37.7
224.13698	1.9
225.12782	0.8
227.03517	2.0
231.10210	2.1
243.02870	0.9
244.03632	1.3
249.06116	5.3
249.11314	19.2
250.11493	2.1
251.09291	0.9
267.07181	19.8
267.12311	17.0
269.10275	8.5
276.06247	0.9
285.03830	1.1
287.73029	0.9
298.04510	1.0
311.11258	1.8
313.03540	5.1
328.05569	1.3
342.07446	1.9
343.08096	5.2
383.13196	1.3
401.14716	7.0
425.10831	1.2
443.16083	44.3
444.16663	5.1
447.10242	1.4
451.09903	1.8
455.19400	1.2
464.11075	2.0
490.12546	1.0
499.18597	1.1
517.19299	20.2
518.19653	3.2
561.17938	1.9
603.19159	1.7
631.17590	1.5
633.15265	2.1
657.16113	3.8
693.27435	70.1
694.27832	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	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07614	0.6
50.07864	0.6
51.98862	0.6
55.01757	0.9
57.03322	1.2
59.00988	0.9
59.01255	7.4
61.98711	1.3
63.91378	0.6
71.01248	8.7
71.41182	0.6
71.41522	0.6
72.99159	1.3
73.02825	4.5
75.00742	1.5
81.03361	0.6
83.01279	0.6
85.02831	6.6
85.70617	0.6
87.00750	3.8
89.02318	4.3
89.03852	1.2
89.50853	0.6
92.89663	0.6
93.03307	1.1
95.01264	2.6
96.77106	0.6
97.02827	1.1
99.00755	7.9
99.04403	0.8
101.02329	3.4
108.02060	0.8
108.82629	0.6
109.02794	0.8
113.02332	14.9
117.03342	5.9
119.04921	1.7
121.02834	1.1
123.00619	0.7
123.04443	0.8
125.02354	0.8
131.03391	1.3
132.02078	2.6
133.02872	1.7
134.03630	89.7
135.03865	3.4
137.02327	2.0
139.03922	0.8
143.03415	0.7
145.02814	1.4
146.19453	0.6
147.04407	2.6
148.05220	0.9
149.04637	1.0
149.05984	14.4
159.04482	0.6
160.01582	12.4
161.02234	1.6
161.04494	4.2
163.03900	2.7
163.07578	0.7
173.04587	0.7
175.03923	23.7
176.04512	1.9
177.01807	1.1
178.02637	3.9
179.03398	0.8
180.15913	0.7
188.04721	0.9
190.02637	0.7
191.05524	0.9
191.07080	2.9
192.01152	0.6
192.04160	1.1
193.04991	100.0
194.05321	6.4
197.11760	1.1
206.05753	2.1
207.06546	1.4
215.05394	0.8
215.07289	0.6
220.03804	0.7
221.08115	7.0
227.03442	0.8
235.06090	22.4
236.06403	1.4
265.07166	39.5
266.07510	3.2
267.08817	0.7
300.02484	0.9
307.08221	9.1
308.08734	0.8
313.03387	1.2
325.09247	20.1
326.09573	2.0
343.08102	1.5
351.10663	1.0
367.10300	24.3
368.10623	2.2
409.11200	4.7
410.12213	0.7
469.13284	3.3
649.27490	1.3
657.15997	1.1
675.17969	1.0
693.18445	3.4
694.18878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21963	0.8
52.62479	0.8
57.03326	6.0
59.01251	100.0
69.03305	1.2
71.01253	21.8
71.04897	1.4
72.99195	4.6
73.02822	6.9
75.00740	7.5
83.01257	1.8
83.04882	3.2
85.02823	15.1
87.00751	47.3
89.02317	3.5
95.01257	3.9
97.02825	1.1
97.06454	1.3
98.20716	1.3
99.00784	9.3
100.67764	0.9
101.02312	10.2
103.00251	1.8
106.56281	0.9
107.04927	5.9
109.02810	1.2
112.01538	1.6
113.02336	19.4
117.01818	0.9
117.03328	1.4
120.05678	3.1
121.02832	0.8
129.01836	1.2
130.99753	7.4
132.02036	1.1
133.02811	1.8
134.03645	12.7
135.04401	3.2
135.11691	1.0
137.02335	1.3
145.10106	1.8
147.04395	2.5
149.05959	1.3
152.04625	1.4
159.02829	1.1
160.01573	6.1
161.02405	1.2
161.04477	8.2
161.09634	13.9
161.13269	9.7
163.03889	1.3
163.11209	7.7
165.26822	0.8
171.04248	1.0
175.02467	1.4
175.03883	6.6
176.04285	1.0
177.01802	0.9
179.10730	1.5
187.11206	21.9
188.11665	0.9
189.09161	7.9
190.09416	0.8
191.05640	1.2
193.04962	6.4
195.63850	0.9
203.10674	1.3
205.12300	12.0
206.12589	1.0
207.10213	12.3
223.13351	37.7
224.13698	1.9
225.12782	0.8
227.03517	2.0
231.10210	2.1
243.02870	0.9
244.03632	1.3
249.06116	5.3
249.11314	19.2
250.11493	2.1
251.09291	0.9
267.07181	19.8
267.12311	17.0
269.10275	8.5
276.06247	0.9
285.03830	1.1
287.73029	0.9
298.04510	1.0
311.11258	1.8
313.03540	5.1
328.05569	1.3
342.07446	1.9
343.08096	5.2
383.13196	1.3
401.14716	7.0
425.10831	1.2
443.16083	44.3
444.16663	5.1
447.10242	1.4
451.09903	1.8
455.19400	1.2
464.11075	2.0
490.12546	1.0
499.18597	1.1
517.19299	20.2
518.19653	3.2
561.17938	1.9
603.19159	1.7
631.17590	1.5
633.15265	2.1
657.16113	3.8
693.27435	70.1
694.27832	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	691.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47505	1.6
53.33233	1.6
54.08860	1.6
58.00827	1.5
78.95776	45.1
83.04890	8.2
84.02052	2.2
93.13544	1.6
95.04935	1.5
96.23314	1.6
96.96813	3.7
104.90958	1.6
128.65326	1.7
152.99496	52.9
163.11232	4.1
165.12764	5.4
171.00533	5.8
183.59221	1.4
209.11778	93.2
210.12079	5.2
227.03246	3.3
227.12816	10.3
241.81201	1.6
245.04321	2.1
253.21751	22.6
363.12189	7.1
437.15875	6.1
455.16870	100.0
456.17300	7.0
654.10632	1.7
691.38269	72.5
692.38586	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	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	5.3
59.01254	30.2
69.03342	1.6
69.66715	1.5
71.01255	26.4
72.99177	8.3
73.02817	2.6
75.00750	20.4
83.04902	1.8
85.02348	2.5
85.02823	29.5
87.00750	35.2
89.02319	7.4
89.03827	2.7
90.63810	1.6
93.03336	2.1
95.01276	10.0
95.01799	2.2
99.00764	14.1
101.02326	3.1
103.00243	2.9
106.02190	1.7
107.05003	1.8
113.02332	40.4
115.00221	2.4
117.01808	2.4
117.03337	5.3
119.04901	4.5
130.99730	4.5
132.02063	2.5
133.02872	4.4
134.03641	63.2
135.04352	2.1
135.76558	1.7
137.02327	4.4
149.05975	10.0
155.70129	1.4
160.01590	13.5
161.02327	5.5
161.09593	3.6
163.03943	8.1
163.11281	1.6
175.02405	4.3
175.03920	15.9
175.73836	1.5
179.03349	2.9
187.11237	2.2
193.03352	3.2
193.05002	44.0
194.05267	2.7
199.82935	1.9
201.09137	1.9
202.06058	2.2
205.12224	2.5
207.04994	2.2
227.03365	4.4
243.03119	3.0
243.10254	3.0
244.03732	3.2
249.06123	21.6
267.07135	64.9
285.04019	2.6
297.04129	2.0
299.05463	2.3
305.30319	1.9
313.03448	7.1
327.05136	2.4
328.05746	5.1
342.07373	4.5
343.08218	17.5
349.09119	5.7
350.09927	2.0
425.11221	3.1
443.11945	87.0
444.12311	8.2
447.11163	3.5
464.11053	3.3
465.57837	1.7
499.18106	2.5
516.10724	2.0
517.19354	27.5
518.19794	4.2
525.32648	1.6
560.09473	2.6
561.17786	2.7
603.18475	3.7
613.17181	2.9
631.17401	7.4
633.16174	4.9
649.18579	2.4
657.15747	9.7
658.16083	2.5
675.16370	1.8
675.23761	1.9
693.24677	100.0
694.25085	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	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	5.3
59.01254	30.2
69.03342	1.6
69.66715	1.5
71.01255	26.4
72.99177	8.3
73.02817	2.6
75.00750	20.4
83.04902	1.8
85.02348	2.5
85.02823	29.5
87.00750	35.2
89.02319	7.4
89.03827	2.7
90.63810	1.6
93.03336	2.1
95.01276	10.0
95.01799	2.2
99.00764	14.1
101.02326	3.1
103.00243	2.9
106.02190	1.7
107.05003	1.8
113.02332	40.4
115.00221	2.4
117.01808	2.4
117.03337	5.3
119.04901	4.5
130.99730	4.5
132.02063	2.5
133.02872	4.4
134.03641	63.2
135.04352	2.1
135.76558	1.7
137.02327	4.4
149.05975	10.0
155.70129	1.4
160.01590	13.5
161.02327	5.5
161.09593	3.6
163.03943	8.1
163.11281	1.6
175.02405	4.3
175.03920	15.9
175.73836	1.5
179.03349	2.9
187.11237	2.2
193.03352	3.2
193.05002	44.0
194.05267	2.7
199.82935	1.9
201.09137	1.9
202.06058	2.2
205.12224	2.5
207.04994	2.2
227.03365	4.4
243.03119	3.0
243.10254	3.0
244.03732	3.2
249.06123	21.6
267.07135	64.9
285.04019	2.6
297.04129	2.0
299.05463	2.3
305.30319	1.9
313.03448	7.1
327.05136	2.4
328.05746	5.1
342.07373	4.5
343.08218	17.5
349.09119	5.7
350.09927	2.0
425.11221	3.1
443.11945	87.0
444.12311	8.2
447.11163	3.5
464.11053	3.3
465.57837	1.7
499.18106	2.5
516.10724	2.0
517.19354	27.5
518.19794	4.2
525.32648	1.6
560.09473	2.6
561.17786	2.7
603.18475	3.7
613.17181	2.9
631.17401	7.4
633.16174	4.9
649.18579	2.4
657.15747	9.7
658.16083	2.5
675.16370	1.8
675.23761	1.9
693.24677	100.0
694.25085	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	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03234	1.2
57.03326	3.9
59.01251	26.5
67.01772	1.9
68.99691	2.1
69.03349	1.6
71.01254	29.4
72.99168	6.9
73.02821	4.0
75.00753	19.5
82.89980	1.0
83.01269	2.3
83.04907	1.5
85.02819	28.8
87.00751	16.5
89.02318	7.8
91.03917	1.4
93.03370	2.5
95.01274	7.9
98.20600	1.7
98.96700	0.9
99.00748	15.3
99.01339	1.2
101.02296	2.1
103.00257	2.1
107.04952	1.3
111.00769	2.2
113.02336	40.4
115.00296	2.5
117.01836	2.4
117.03327	6.0
129.01857	2.2
130.99773	1.7
131.03394	1.5
132.02072	2.7
133.02861	4.9
134.03630	68.9
135.04372	5.1
137.02344	2.1
145.02934	2.6
147.04385	1.5
149.04848	1.3
149.05968	7.6
157.01308	1.6
160.01555	12.9
161.02344	4.5
161.09688	2.6
163.03966	2.5
163.11162	1.0
167.03406	1.9
175.02419	4.2
175.03954	17.2
177.01955	1.3
178.02582	1.5
179.03464	2.2
187.11290	1.6
193.04999	50.9
194.05342	2.6
201.11270	1.6
205.12300	1.5
207.05023	2.9
209.11763	4.7
210.12100	3.4
223.13303	1.3
249.06120	23.2
252.06474	1.8
260.34451	1.1
267.07135	65.4
268.07501	2.8
281.14307	1.1
313.03537	2.3
343.08279	5.5
425.10919	4.6
443.11932	100.0
444.12363	9.2
447.10898	1.4
455.19656	1.2
499.18130	1.6
517.19238	22.1
518.19843	3.8
555.18542	1.4
603.18896	1.4
631.17877	1.8
639.96246	1.3
649.18689	2.3
657.16119	2.3
675.17041	1.7
675.23407	1.1
693.24200	95.8
694.24420	18.7
719.66907	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	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01247	8.0
61.00412	0.4
61.98695	0.7
69.96272	0.7
69.96665	1.3
71.01244	2.9
73.02794	0.4
83.01277	0.5
85.02824	1.1
87.00754	100.0
88.01092	2.1
89.02298	1.3
93.03351	1.1
98.19855	0.6
99.00701	0.4
101.02332	1.4
112.98698	1.4
113.02344	1.2
119.04926	1.0
121.02847	82.4
122.03166	2.3
130.98772	1.0
130.99762	18.2
133.02841	0.7
134.03635	2.1
137.02364	1.9
147.04430	1.9
148.05006	0.4
149.04449	0.4
149.05962	1.1
159.04419	0.8
161.02394	0.9
161.04486	0.8
163.02716	0.5
163.03864	2.7
171.04483	0.6
172.05222	0.5
173.04510	0.6
175.03929	0.8
175.07579	0.7
183.13834	0.7
184.14174	0.5
187.03975	0.8
187.07594	0.9
188.04619	0.7
189.01836	1.0
189.09122	0.9
190.02701	1.1
191.03474	1.1
192.04251	0.7
193.05032	3.7
199.03940	1.1
201.05505	0.6
201.09267	0.7
205.12309	0.9
207.10173	1.0
219.02785	0.6
223.13339	1.5
227.03452	4.2
228.04193	2.2
229.08418	0.5
243.02994	1.4
243.10233	0.7
244.03783	2.8
245.08365	0.5
249.11336	1.0
267.12436	1.2
284.03357	1.0
285.04129	0.6
295.03021	0.5
297.04041	1.1
299.05884	0.5
312.02838	0.6
313.03592	3.9
313.07071	1.0
314.03687	0.6
314.07648	0.5
327.05203	0.5
328.05890	1.4
329.06070	0.5
342.07562	4.1
343.08243	6.0
344.08566	1.1
349.09396	1.3
350.10217	1.1
399.14532	1.6
403.04767	0.6
409.13184	1.3
417.06235	1.2
418.07019	0.6
433.09726	0.5
443.15671	1.2
446.09851	0.5
447.10992	1.9
451.10355	6.6
452.10754	0.8
463.10254	1.2
464.11041	9.5
465.11453	2.0
489.12326	0.6
490.12851	1.2
517.10956	0.6
539.13574	0.5
543.10144	0.5
560.09686	1.0
561.18317	0.6
603.18610	1.0
613.17322	0.6
631.18500	2.0
633.16187	1.9
649.19293	1.5
657.15997	3.2
658.17328	0.7
675.17096	1.4
693.18365	6.9
693.28839	2.6
694.18616	2.0
694.28857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61419	0.2
51.53323	0.2
52.31379	0.2
55.01762	0.4
57.03315	0.7
58.00463	0.8
59.01252	18.4
61.98694	0.6
62.26503	0.2
64.51466	0.2
67.01758	0.2
68.71832	0.2
69.03329	0.9
71.01255	15.0
72.99174	1.2
73.02818	2.9
74.97141	0.2
75.00749	0.6
78.43252	0.2
81.03368	0.3
83.01250	1.6
85.02831	3.0
85.39478	0.2
85.99976	0.2
87.00748	6.3
88.01108	0.2
88.98692	0.2
89.02319	11.0
90.35283	0.2
93.03343	0.5
95.01261	0.7
97.02826	1.6
98.19820	0.8
99.00749	0.9
99.04386	0.2
101.02325	10.0
107.01208	0.2
109.02853	0.4
111.08028	0.3
113.02324	4.8
113.09581	0.2
115.03895	0.2
119.03395	3.1
119.04903	0.9
121.02824	0.8
123.04404	0.3
125.02325	3.5
127.54528	0.2
130.99712	0.4
131.03378	0.6
133.04980	0.3
134.03635	0.3
137.02309	0.6
139.03938	0.4
141.01817	0.4
143.03392	1.7
145.02809	0.2
147.04436	1.1
149.02292	0.3
149.04453	0.3
149.05971	0.4
157.26802	0.2
161.02345	0.3
161.04471	2.0
162.32994	0.2
163.03972	1.3
167.10670	0.4
172.05333	0.2
173.52130	0.2
175.00182	0.3
175.07584	0.3
179.05525	2.9
179.14374	0.7
183.13815	0.3
185.04468	0.3
185.06003	0.4
192.04065	0.3
193.05005	0.4
195.12038	0.4
195.13840	8.0
196.14328	1.3
201.05341	0.3
205.12274	0.7
205.15862	0.5
209.11783	1.0
211.13376	1.1
220.18736	0.2
221.06578	0.7
223.13341	6.1
224.13766	0.8
225.14952	0.3
228.13628	0.7
231.21172	0.5
235.08203	3.2
236.08609	0.2
239.12830	0.2
243.10132	0.3
252.04109	0.3
253.09253	1.0
256.13104	1.1
263.07724	0.4
265.21683	0.4
267.06644	0.3
270.05347	0.4
275.20160	4.1
276.20511	0.4
277.09149	0.4
287.07687	0.3
293.21228	100.0
294.21548	10.2
305.08804	0.5
313.03528	0.3
323.09860	0.5
328.05737	0.3
343.08264	0.6
361.11533	0.4
397.13492	21.1
398.13821	2.1
415.14572	23.8
416.14911	2.2
488.11157	0.3
506.12045	0.4
550.11322	0.4
564.78827	0.2
585.17249	0.3
603.18262	0.2
647.17346	0.4
654.27222	0.4
666.18970	0.3
673.28674	0.3
691.17188	0.4
691.32159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.0
60.99181	16.8
61.98694	1.8
71.01255	0.7
71.53284	0.7
78.95790	2.7
80.96375	0.5
87.00773	3.6
88.00256	1.1
88.98682	100.0
89.02325	7.4
89.99014	0.7
111.67141	0.5
119.03377	0.6
152.99498	1.7
156.16679	0.5
201.37444	0.5
209.11780	1.3
211.55962	0.6
277.21671	1.3
293.21201	0.6
297.39474	0.5
318.12125	0.5
337.99194	0.6
341.11136	0.6
488.11539	0.6
496.16995	0.5
628.20355	0.8
629.18756	0.5
659.35315	1.0
681.03296	0.6
691.16876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88918	0.2
55.01754	0.4
57.03310	0.6
58.00486	1.0
59.01252	18.6
60.01591	0.4
61.98695	0.3
68.99678	0.4
69.03327	0.5
71.01255	14.0
71.04888	0.3
72.01584	0.4
72.99174	1.0
73.02817	2.3
75.00739	0.4
81.03345	0.3
83.01273	1.4
85.02830	2.7
86.34912	0.2
87.00755	6.0
87.99380	0.2
89.02318	12.0
95.01262	1.1
97.02829	2.1
98.19736	0.4
99.00751	1.0
101.02322	9.3
102.02640	0.3
103.27811	0.2
111.04385	0.3
111.08008	0.3
113.02330	5.8
113.09572	0.3
115.03867	0.3
115.52948	0.2
119.03395	3.3
119.04903	0.4
121.02832	0.4
122.56137	0.3
125.02330	2.8
130.99762	0.4
131.03380	0.5
133.04893	0.3
134.03596	0.3
137.02316	0.3
139.03906	0.4
143.03404	1.8
145.02820	0.3
147.04446	0.3
149.04404	0.4
161.04482	2.5
163.03885	0.7
167.10645	0.3
169.05051	0.3
175.03864	0.3
175.07513	0.2
179.05539	2.7
179.10684	0.3
179.14319	0.9
183.10217	0.3
185.04405	0.3
185.06044	0.2
193.05025	0.3
195.13847	7.9
196.14369	0.7
199.09590	0.2
205.12282	0.8
205.15909	0.3
211.13342	0.9
212.13611	0.2
217.07043	0.2
221.06535	0.7
223.13358	5.7
224.13728	0.6
225.14957	0.4
228.13644	0.6
229.16206	0.2
231.21140	0.4
235.08188	3.7
242.14674	0.2
253.09196	1.3
256.13138	1.2
263.07639	0.4
265.21921	0.4
270.05270	0.3
275.20160	4.0
276.20517	0.6
277.09409	0.3
287.07712	0.7
293.21219	100.0
294.21558	10.0
305.08743	0.8
323.10013	0.6
335.54913	0.2
343.07990	0.3
397.13483	21.0
398.13892	1.8
415.14563	24.0
416.14883	2.2
550.11005	0.4
602.97992	0.3
647.17365	0.4
654.27350	0.6
691.17517	0.4
691.34381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49594	1.1
57.03309	3.4
59.01248	9.5
59.90142	0.9
60.87101	1.1
61.98692	5.4
63.02271	5.5
65.00198	5.8
71.01272	5.4
72.99170	1.1
73.02812	1.8
75.00741	1.9
83.01261	6.8
85.02829	3.0
87.00774	5.8
87.01210	1.1
89.02310	2.2
93.03339	3.0
99.00764	3.8
101.02282	1.8
107.01280	14.6
108.02104	1.5
108.04417	1.4
109.02831	1.8
111.00749	2.4
113.02303	2.6
119.04891	1.4
119.71086	1.0
123.00768	1.6
123.04395	1.5
124.01558	10.5
125.02387	8.3
132.76706	1.0
134.03644	2.7
135.04373	1.2
137.02309	2.3
145.02884	1.6
147.04472	2.0
149.06026	1.4
150.05530	1.5
151.00279	38.3
152.01071	33.7
152.07050	3.7
153.01779	3.2
159.04395	2.2
161.02325	1.1
163.03918	2.5
165.01848	1.2
165.03920	1.1
165.05540	1.5
169.01366	6.0
172.07796	1.0
173.04517	2.2
173.05972	3.5
175.03882	1.4
177.01802	2.2
178.99777	47.5
179.99988	1.3
180.04063	1.2
185.05908	1.5
187.03934	2.0
187.07520	2.8
188.04765	1.1
189.05489	7.1
191.03363	1.9
191.05447	2.5
193.01396	1.3
193.04964	4.1
199.07541	2.3
200.04683	4.3
201.05527	3.1
202.06088	1.4
203.03400	1.4
213.05527	1.3
215.07097	31.8
216.07645	4.6
217.08754	1.3
225.05530	1.6
225.11241	2.5
226.02663	1.4
227.03424	2.6
227.07021	3.0
241.05013	5.0
242.05730	2.3
243.02873	1.1
243.06522	4.2
253.05057	3.4
255.02916	3.0
255.11348	1.8
264.04288	1.2
267.06592	1.8
268.07217	1.1
269.04602	1.9
270.05292	2.3
271.02429	7.9
271.05777	2.4
281.08209	1.4
284.02991	1.4
293.08069	1.8
295.09952	1.3
298.00983	1.3
299.01999	12.5
300.02704	12.6
301.03226	1.9
305.08151	2.5
309.07532	1.5
322.04794	1.3
333.07678	7.2
334.08197	1.7
334.11783	2.0
336.06128	2.5
337.07004	1.1
339.12228	1.4
342.07480	2.5
343.08215	2.7
351.08563	1.7
355.12939	3.3
361.07382	5.7
378.07504	3.2
379.08200	19.6
380.08578	2.5
397.09241	11.6
398.09518	2.1
565.15527	3.8
585.17542	7.8
586.17719	1.1
589.15363	1.3
594.11975	1.7
603.18842	2.8
629.16656	2.4
641.22400	1.3
659.23590	1.9
691.18616	100.0
692.19098	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	691.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.8
59.01248	6.6
61.98730	1.4
69.03337	1.2
71.01257	4.8
71.04911	0.8
71.54835	1.0
73.02821	1.3
84.27647	0.8
85.02845	1.7
87.00749	32.5
89.02344	1.8
93.03323	1.1
96.95930	0.9
99.00746	2.8
101.02342	2.4
109.02849	1.2
113.02335	1.8
117.03357	2.9
119.04913	14.4
121.02869	3.8
128.01122	0.8
130.99745	3.7
132.02083	1.2
133.02841	0.9
134.03624	17.3
135.04420	1.6
137.02361	3.2
145.02876	5.4
146.03593	1.0
147.04410	4.8
148.05165	1.1
149.02426	1.3
149.05994	2.5
159.04495	2.2
160.01587	1.5
161.02330	1.6
162.03253	1.2
163.03923	21.3
169.35188	0.7
171.04466	1.1
173.04533	1.2
173.06012	1.8
175.03926	4.7
175.07515	1.0
177.01865	1.1
178.02548	1.2
185.05983	1.9
186.06839	2.8
187.03949	4.3
188.04837	0.9
191.03497	1.4
191.05466	1.2
192.04082	1.1
193.05017	18.4
193.06775	1.2
195.04364	1.1
196.05228	1.6
197.06007	3.0
199.03934	2.2
201.05534	1.3
203.03394	0.9
205.04916	0.9
207.10329	0.9
209.11748	2.2
211.04036	2.4
212.04662	1.9
213.05464	5.0
214.06291	3.1
215.07068	0.9
217.05025	1.1
218.02193	0.8
219.02936	1.0
221.08122	2.5
223.04001	1.2
223.05962	0.9
224.04614	1.0
225.05489	5.1
227.03470	7.7
228.04100	0.9
231.02861	1.0
235.06087	1.6
239.03464	1.6
240.04207	2.2
241.05048	14.2
242.05743	7.8
243.02893	1.0
244.13416	1.8
249.06052	0.8
251.03514	1.6
252.04147	2.0
253.05112	4.5
255.02940	8.2
265.07242	1.6
267.02933	4.1
267.07172	1.7
268.03723	5.3
269.04538	15.8
270.05328	100.0
271.05627	8.8
279.03030	3.8
280.03607	1.5
282.01694	1.0
283.02631	1.6
283.05972	0.9
285.03995	1.4
295.02496	5.8
295.08295	2.0
296.03146	2.9
297.03973	8.4
298.04565	1.2
299.02014	3.5
307.08453	1.0
309.04120	1.2
311.02023	1.7
314.04227	6.8
323.02026	1.5
329.14053	1.3
337.09253	2.1
340.02072	2.2
342.07312	1.9
343.08353	2.4
348.15860	1.6
350.29962	0.9
367.00934	4.1
372.08212	1.1
383.07211	1.1
384.08365	2.3
415.04413	1.4
417.05878	1.1
429.05988	1.3
430.06866	1.2
433.05624	1.9
435.03262	1.6
443.04083	1.9
445.09460	1.3
447.06805	2.1
458.06363	2.3
459.06781	1.6
461.04922	1.0
462.09567	1.4
463.10529	4.7
465.08243	2.1
473.08591	3.7
474.09180	1.6
477.12091	7.2
478.12576	3.8
480.16370	2.4
487.10159	1.1
488.10962	13.5
489.11600	4.6
490.09592	1.0
491.09610	4.9
505.11670	5.4
506.12180	26.3
506.19849	1.3
507.12585	4.5
522.11786	1.8
532.10052	2.4
549.10895	1.8
550.11176	87.6
551.11542	16.6
571.18396	1.1
585.17816	1.4
594.10095	6.8
603.18671	2.2
647.17578	3.6
673.15808	1.4
673.26874	1.4
674.15857	1.0
690.34705	1.3
691.16943	1.7
691.30042	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	691.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.0
59.01251	9.3
61.98703	3.7
65.03837	1.5
67.01756	5.4
69.03307	2.2
71.01252	7.9
72.99171	1.8
73.02832	3.3
83.04896	2.0
85.02833	3.6
87.00755	30.8
88.01070	1.3
89.02287	2.0
93.03337	28.9
94.03674	1.5
95.01249	1.9
98.20606	2.0
99.00761	3.2
99.04391	1.5
101.02342	2.0
108.02061	2.3
109.02811	2.1
111.00733	1.6
111.04391	4.7
113.02320	4.8
115.03959	1.5
117.03333	3.2
119.04913	33.4
122.03580	1.9
123.04420	2.3
130.99765	5.3
134.03654	7.3
135.04404	2.2
137.02341	14.9
145.02849	10.7
146.03561	1.8
147.04425	10.7
148.01544	1.9
148.05202	1.7
149.02240	2.2
149.05974	3.1
152.01003	2.2
155.03391	6.5
159.04408	3.2
160.01595	3.3
161.02332	4.0
163.03922	64.2
164.04321	2.7
171.04619	1.5
173.04478	100.0
173.05911	4.8
174.03151	6.2
174.04817	3.9
174.06699	2.2
175.03932	4.9
175.07568	2.7
185.06123	1.7
187.03960	10.2
187.07489	2.0
189.01801	2.9
189.05513	1.8
190.02547	2.3
191.03407	4.9
191.05519	8.4
191.07048	1.9
192.04160	2.6
193.04974	8.3
195.04536	1.7
197.05896	1.6
201.05531	2.3
201.11218	3.7
202.06310	15.3
203.07056	9.4
209.11760	19.2
211.03925	3.0
213.05476	2.0
215.03346	1.8
215.07079	1.6
217.04982	1.7
225.05531	1.9
227.03528	2.8
227.12787	2.9
229.05087	1.5
241.04999	3.2
241.08598	2.3
242.05650	1.5
243.02898	2.0
243.10144	1.5
247.06012	2.4
252.04231	1.6
255.02782	2.9
257.04440	1.6
259.09827	1.6
267.02795	2.0
267.06760	2.2
268.03784	2.9
269.00961	1.5
269.04507	4.9
270.05344	23.4
271.05786	2.1
279.06323	1.4
283.02405	2.3
284.03024	2.2
285.03986	2.1
289.03885	1.4
297.04034	4.8
298.04623	1.6
299.02295	2.4
299.05417	2.9
311.01904	1.5
312.02737	2.7
313.03531	5.8
313.06998	1.8
314.04346	2.8
323.09375	2.0
328.05826	2.2
337.09302	43.8
338.09366	4.3
341.10452	1.9
342.07452	11.5
343.08240	10.4
347.07690	2.1
348.08151	2.4
349.09442	9.0
353.10269	16.0
356.09045	1.6
367.00723	2.7
371.11343	3.4
455.13934	1.7
463.10571	2.2
471.10928	2.1
473.09116	2.4
477.11774	2.2
487.10242	3.7
488.11102	5.2
489.11703	3.0
497.16190	4.1
505.11499	10.2
506.12000	17.1
507.12656	2.3
509.14398	3.7
527.15216	2.0
531.09155	4.1
532.10150	15.5
533.10590	3.1
545.16486	6.9
549.10181	2.7
550.11139	29.5
551.11548	4.1
559.16064	2.2
564.09229	2.8
576.09082	2.7
585.17230	2.4
594.10394	1.9
603.18634	5.6
629.16681	6.5
647.17316	6.9
673.15570	10.4
691.14655	10.6
691.27393	5.5
692.16699	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	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09832	0.6
59.01251	8.7
59.01497	0.8
60.60182	0.6
61.98701	4.7
69.03336	0.7
71.01254	8.3
72.99196	0.9
75.00766	1.2
78.95788	2.2
83.01276	1.3
83.04884	1.4
85.02850	1.9
87.00754	4.5
89.01838	0.7
89.02302	3.1
95.01270	0.8
97.06462	1.0
101.02322	6.1
101.02835	0.6
111.08073	1.5
113.02327	3.7
118.35230	0.6
119.03402	1.8
121.02845	0.7
133.05000	0.8
134.03639	0.8
142.81306	0.6
143.03397	0.9
147.04440	1.9
147.83742	0.6
155.10770	0.7
159.04471	1.3
161.04488	1.9
163.11232	1.0
165.12781	9.0
167.14383	0.7
171.10240	3.3
175.07584	1.8
179.05499	1.0
183.13837	97.2
184.14265	5.1
191.03497	1.2
193.05029	0.7
193.12276	2.6
199.09598	1.1
201.09164	0.9
201.11253	1.3
207.10236	1.3
209.11761	9.6
211.13345	100.0
212.13695	5.0
215.07161	0.9
215.12817	8.6
217.03928	0.7
225.11234	1.6
227.12860	5.7
235.08211	2.7
235.13538	0.7
241.08740	0.8
253.09280	8.5
308.71390	0.8
318.95587	0.7
338.63583	0.7
342.07117	1.0
343.08011	1.0
348.15805	1.5
445.20645	1.9
447.22281	2.4
461.20657	0.9
463.21887	3.8
464.93567	0.8
657.34924	87.1
658.35321	18.6
658.45300	0.6
671.31354	0.7
689.38293	9.1
690.38550	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	691.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16159	1.3
53.95205	1.6
59.01249	8.8
61.34701	1.8
61.98695	2.3
70.67843	4.4
71.01241	5.4
72.99196	1.8
73.02831	3.5
75.00771	1.6
83.01270	2.1
83.04909	2.1
85.02847	2.0
87.00752	48.5
89.02314	2.5
101.02296	1.9
108.02072	2.1
109.02826	2.4
109.99892	1.6
112.98692	4.2
113.02353	2.4
121.02802	1.8
123.04404	2.2
124.24606	1.6
125.02386	2.0
133.02844	3.4
134.03633	8.3
135.04482	1.8
137.02347	2.3
145.02838	1.9
147.04488	2.3
147.07979	2.5
149.05937	3.6
151.00246	3.0
159.04494	1.8
160.01654	1.8
161.02351	1.8
163.03897	3.6
164.04709	2.0
165.03944	4.0
171.04477	2.2
171.66980	1.6
173.05925	2.5
174.03154	2.7
175.03909	6.5
175.07567	2.9
177.01772	2.5
179.10625	1.9
180.37477	1.6
185.05942	1.6
187.03908	5.1
187.07578	4.4
188.04756	3.8
189.05476	2.2
190.02652	2.0
191.03424	2.2
193.04993	10.1
199.03918	3.1
200.04643	2.0
201.05511	4.4
201.09216	1.5
201.11223	4.2
203.03334	2.2
203.06964	2.8
209.11775	24.2
213.05347	2.0
214.06326	2.2
215.07033	8.3
217.08560	8.9
223.13307	2.1
226.02528	2.0
227.03413	4.3
227.12802	3.4
229.08662	1.5
241.01259	3.0
243.02963	6.8
243.10158	2.1
255.02951	5.0
269.00964	3.3
270.01617	2.8
271.02496	9.4
284.03445	3.6
285.03979	3.4
293.08090	1.9
294.05402	2.8
297.00488	2.8
297.03986	3.0
299.02036	36.3
299.05585	4.4
300.02676	18.6
312.02765	5.9
313.03488	7.2
314.04333	1.9
314.08090	2.9
327.05054	5.8
327.08725	2.5
328.05832	4.5
328.09210	2.4
342.07431	19.5
343.08197	14.7
353.03259	3.5
383.08279	2.4
453.09949	2.3
456.11401	2.3
473.11765	1.9
483.10764	2.6
501.12015	4.0
506.12204	2.9
511.10193	6.7
515.13245	2.2
529.11188	4.5
535.12463	2.4
541.14819	7.3
542.14825	2.0
557.14276	1.8
559.16040	44.7
560.16229	10.7
585.17664	2.6
593.11615	2.7
594.12396	9.3
595.12817	2.9
601.16864	5.4
603.18695	6.9
629.16656	3.6
647.17694	3.1
655.13873	2.5
673.15582	100.0
674.16125	21.7
691.16547	39.4
691.27112	3.6
692.17047	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	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.4
57.03321	4.2
58.00435	2.0
58.16908	1.6
59.01254	31.8
61.98708	10.2
63.36895	1.6
65.68625	1.6
67.01715	1.8
69.03319	2.1
69.31073	4.7
69.31498	11.2
71.00892	2.6
71.01260	29.0
72.99195	8.6
73.02805	5.3
75.00747	13.0
81.03305	2.1
83.01264	2.8
83.04860	2.1
85.02827	28.0
85.93083	2.0
85.94915	1.6
87.00747	17.7
89.02307	8.7
93.03318	7.2
95.01247	7.6
96.95866	2.1
97.02818	2.9
98.19807	2.6
99.00761	16.4
99.04442	2.0
101.02308	7.2
108.02019	2.0
109.02810	4.2
109.06462	6.3
111.04398	2.1
113.02339	27.2
115.00234	1.8
117.03324	6.1
119.04912	12.3
121.02854	2.9
121.06494	2.0
122.03565	2.3
125.02317	2.8
125.05961	3.3
128.01044	2.1
129.01799	2.7
130.99782	2.8
131.03346	2.0
132.02036	2.6
133.02817	3.1
134.03630	53.3
135.04384	6.8
135.07982	2.3
137.02339	4.0
145.02829	7.9
147.04442	9.4
148.05133	3.4
149.02301	3.2
149.04385	2.3
149.06000	14.7
150.03180	2.4
151.07550	4.5
160.01582	12.0
161.02301	4.7
161.05948	2.3
163.03941	17.1
163.07552	2.3
163.11200	3.4
165.05434	1.9
171.10185	5.8
173.04439	5.3
173.05887	2.2
175.02481	3.8
175.03896	12.5
177.01791	1.8
181.12370	1.6
189.09167	3.2
191.05447	4.3
191.06993	2.3
193.03354	3.6
193.04987	36.2
201.05455	2.3
201.12727	6.9
203.10799	2.2
204.11447	6.3
207.10223	11.0
209.11775	17.8
219.13814	9.8
220.14082	2.0
223.13402	2.2
225.11247	16.0
227.12766	4.1
235.06026	2.4
245.11700	3.1
249.06113	12.8
255.02887	2.2
257.08139	3.9
263.12802	5.7
267.07129	29.0
301.10709	3.3
312.02734	2.6
313.03421	6.2
327.05380	2.3
337.09256	4.1
343.08313	9.9
380.32117	1.8
425.10669	4.2
443.06332	2.4
443.11981	34.4
444.12210	2.1
479.17578	2.4
513.19794	26.9
514.20203	3.2
601.17114	4.1
645.16687	2.8
645.27466	2.8
689.15234	5.9
689.24316	100.0
689.32776	5.2
690.24573	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01261	2.9
61.98716	2.3
68.94740	0.7
69.03322	4.6
69.20528	7.4
71.01261	3.2
79.01771	0.9
79.46704	0.7
80.21279	0.7
83.01323	0.8
85.02837	2.0
87.00743	4.8
93.03351	2.5
95.01266	0.9
96.95876	0.8
97.02845	2.7
100.52357	0.8
101.02331	1.4
107.01286	1.3
108.02058	82.4
109.02902	8.4
113.02341	1.6
119.04950	2.5
120.01147	1.3
121.02859	5.5
122.03655	3.8
123.00816	0.8
123.04435	8.7
125.02361	3.8
132.02058	3.9
133.02870	4.9
134.03639	17.1
135.04405	3.4
137.02380	2.2
139.03955	0.9
145.02869	1.1
146.03635	0.8
147.04466	2.4
149.02361	8.5
149.05965	4.2
150.03142	23.4
151.00252	2.2
151.03934	11.1
152.01068	98.5
153.01855	8.5
159.04424	1.9
160.01569	20.1
161.02371	8.2
162.02998	0.7
163.03897	2.7
164.04703	2.0
165.01826	1.2
165.05490	14.9
166.02617	2.6
171.11685	0.8
175.03931	20.7
176.04306	1.4
177.01900	1.6
177.13005	0.8
178.02673	3.7
179.03352	1.5
180.04233	2.3
181.04994	5.5
187.03896	0.8
191.05544	2.0
193.05019	11.5
195.06514	2.1
203.03542	0.9
219.09836	0.7
225.01817	0.7
234.30493	0.9
239.07150	1.0
250.06535	1.0
251.01927	1.0
255.02905	0.8
265.08536	0.8
267.06622	0.9
281.13983	0.9
282.08908	1.5
283.13367	3.3
297.06241	3.7
301.14243	1.3
311.12854	1.2
315.07196	1.1
323.07681	2.8
327.08725	1.1
337.09506	4.3
337.13278	0.7
343.08212	1.0
423.14847	1.2
424.90735	0.9
490.11340	6.4
491.11938	8.3
505.13367	5.3
639.16846	1.3
669.17737	1.2
687.19019	100.0
688.19336	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.4
61.98684	2.5
69.03318	1.6
71.01246	3.9
71.54362	1.6
75.00744	1.9
77.38928	1.4
85.02820	3.7
87.00751	6.6
93.03329	4.7
104.88793	1.7
108.02055	63.3
109.02849	29.6
112.59363	1.5
119.04890	2.2
121.02824	4.5
122.03611	3.9
123.00813	1.6
123.04387	6.4
130.33035	1.4
132.02106	3.4
133.02847	5.9
134.03638	7.5
135.04373	2.7
137.02390	3.2
138.08607	1.4
147.04417	3.8
149.02332	11.0
149.06023	4.0
150.03133	18.4
151.03946	11.8
152.01065	73.4
153.01868	21.9
159.04288	2.9
160.01567	18.3
161.02376	9.9
163.03886	3.4
164.04692	2.5
165.05508	14.0
166.02571	4.4
167.03238	2.6
173.04466	3.5
173.05980	4.3
175.03938	19.7
177.05315	1.7
178.02545	2.3
179.03421	3.7
179.07040	2.1
181.05031	4.7
191.05486	2.6
193.05008	7.5
195.02986	1.7
195.06509	2.2
201.09186	1.6
215.10678	2.2
220.36610	1.8
250.06590	2.0
279.06665	1.8
280.07410	1.7
315.07269	3.7
323.07700	2.6
337.09088	3.0
399.67639	1.7
489.10596	5.5
490.10867	13.5
491.11902	9.1
505.13602	2.9
669.17529	2.0
687.19208	100.0
688.19513	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	687.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86750	0.6
59.01243	2.6
61.98697	0.9
69.03308	1.2
71.01254	3.2
71.53091	0.9
73.02811	0.8
79.01761	0.6
81.03320	1.6
85.02806	2.7
87.00753	5.3
89.02318	0.9
93.03343	3.7
95.01244	1.9
96.95861	1.9
100.03278	0.8
101.02345	1.5
105.03321	0.8
107.01320	0.6
107.04924	0.7
108.02055	64.6
109.02866	25.1
113.02334	1.2
114.49883	0.6
117.03247	0.6
117.38066	0.6
119.04924	1.9
121.02878	4.5
122.03643	4.4
123.00760	1.7
123.04458	5.2
125.02315	1.9
130.99684	0.8
132.02069	3.9
133.02876	6.6
133.21925	0.7
134.03638	8.1
135.00768	1.6
135.04440	3.2
136.01544	1.5
137.02335	4.5
145.02812	1.1
146.03622	1.1
147.04414	1.9
149.02351	8.3
149.05939	3.1
150.03128	25.9
151.00264	1.4
151.03952	8.9
152.01060	78.9
153.01852	24.5
154.02124	1.0
159.04375	1.6
160.01575	17.2
161.02356	10.9
161.05978	0.8
162.02840	0.7
163.03891	2.6
164.04660	2.2
165.01817	2.4
165.04132	1.2
165.05482	19.3
166.02580	3.2
167.03355	2.0
173.04433	2.2
173.05972	2.1
173.22311	0.6
174.03168	0.6
175.03923	20.3
176.04308	1.4
177.01781	2.5
178.02611	1.3
179.03398	3.1
179.07014	2.0
180.04185	2.7
181.01387	3.6
181.04971	5.6
187.03842	0.9
191.03506	1.7
191.05499	3.2
193.05025	5.8
194.05142	0.9
195.02898	1.0
195.06506	2.5
203.03394	1.3
207.02870	1.0
215.10687	0.8
223.03827	0.7
224.04578	0.7
266.05621	0.6
283.13342	1.1
293.09882	0.7
295.09647	1.2
315.07135	2.9
323.07590	1.8
337.09113	2.4
342.07343	0.7
425.02563	0.8
437.16010	1.3
447.12582	0.9
463.14108	0.7
481.15369	1.3
489.10486	5.5
490.11194	20.7
491.11917	11.8
492.12460	1.3
505.13367	3.5
505.84711	0.8
545.13275	1.0
563.22186	0.8
669.18146	2.4
687.19110	100.0
688.19482	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23473	1.3
59.01254	5.1
61.98698	3.7
69.03320	2.3
71.01247	3.3
71.53755	1.4
71.87307	1.5
75.00733	1.5
85.02852	1.7
87.00748	19.6
92.31283	1.4
97.06490	2.1
101.02331	3.1
101.56025	1.5
108.02086	3.3
109.02875	2.2
113.02312	3.0
121.02841	3.6
123.04412	3.5
130.99783	2.5
134.03680	2.1
135.04420	2.9
137.02382	3.1
146.03638	4.4
147.04398	5.8
148.05199	1.8
149.02386	1.7
149.05960	4.5
152.01097	7.5
153.01857	2.1
159.04454	3.4
161.02296	1.9
161.05977	2.2
163.07631	2.1
167.03296	1.4
172.05205	5.2
173.05981	3.7
174.06696	2.3
175.03911	3.8
175.07587	11.9
176.04813	1.7
186.06831	2.4
187.03955	3.0
187.07593	6.3
189.05455	4.2
189.09081	1.9
190.06207	2.8
191.05592	5.0
193.04973	3.8
200.04741	5.1
201.05534	3.0
201.09143	10.4
203.07133	2.9
204.07799	5.2
215.07191	4.0
216.07854	3.0
217.08627	2.8
219.10201	7.5
227.10733	8.1
229.08672	17.0
243.10187	2.3
245.08165	2.7
245.11862	5.0
246.30193	1.6
247.09863	1.8
269.41907	1.6
271.09772	3.7
273.07797	9.3
289.10849	5.4
333.09805	32.2
334.10159	2.4
351.10843	100.0
352.11200	10.2
447.11481	1.8
448.11517	2.2
464.14499	2.0
685.24011	4.2
706.63885	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	689.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06668	0.9
57.03318	1.7
59.00988	1.4
59.01250	14.6
61.98690	3.9
71.01256	10.3
71.03291	2.0
72.99205	1.0
73.02824	2.1
75.00726	3.0
76.01266	0.8
80.02559	0.8
83.01260	1.2
83.04900	1.9
85.02822	5.2
87.00748	9.1
89.02312	3.3
93.03313	2.1
95.01257	2.0
95.04897	1.3
96.95915	1.6
97.18490	0.8
99.00742	3.6
101.02305	3.8
108.02055	1.7
109.02811	1.9
111.00801	1.4
113.02351	6.3
117.03341	1.9
119.04926	9.4
121.02826	2.0
122.03594	1.1
122.06045	1.0
123.00745	2.4
123.04402	1.2
125.02332	2.1
132.02090	1.2
133.02811	2.2
134.03639	10.5
135.00800	1.4
135.04420	2.1
136.01558	1.0
136.07486	1.3
137.02324	3.7
138.06386	1.0
145.02835	4.8
147.04393	3.3
149.02333	1.4
149.06029	5.6
149.99481	2.2
150.03114	1.2
151.00272	1.0
151.03886	1.7
151.07483	1.0
159.04341	2.3
160.01573	2.7
161.02330	2.2
161.04457	1.4
163.03934	11.0
163.11165	1.8
165.01767	1.2
165.05434	1.2
171.04489	0.9
171.10199	5.2
173.05898	1.1
174.03146	3.7
175.03905	4.2
177.01768	2.3
179.03384	2.3
186.03105	1.0
187.03915	2.2
189.01842	1.4
190.02571	1.2
191.03436	3.8
191.05542	1.0
192.04109	2.0
193.05022	11.4
197.11823	1.4
199.03926	2.1
201.01807	1.7
201.05542	1.1
201.11157	2.0
202.02486	1.1
203.03365	1.1
204.11436	1.0
207.10197	2.2
209.04434	1.2
209.11792	16.5
212.01048	1.9
213.01904	1.1
213.05678	1.4
214.02637	2.0
214.06145	1.4
215.03438	2.1
219.02939	1.1
223.05991	1.0
223.13348	1.3
225.01736	1.1
225.11337	6.3
226.02644	2.5
227.03352	3.6
227.12744	2.6
228.00549	2.4
228.04181	1.3
229.01294	2.1
229.05086	1.0
230.02173	4.6
231.02878	2.7
235.06007	2.2
235.08185	1.2
237.04045	3.0
241.04973	1.0
241.09860	1.2
242.02144	1.5
243.02843	4.9
253.09282	1.6
254.99268	5.9
255.02942	1.2
255.82581	1.0
256.00018	2.2
257.04337	1.5
257.12958	1.6
259.02469	1.8
259.06100	1.3
267.07159	3.4
269.00751	1.4
269.04568	1.9
270.01599	5.8
271.02393	9.4
272.03217	1.4
277.07217	1.4
282.01685	1.1
282.98865	1.5
283.02350	1.6
283.10870	3.8
285.04059	9.2
286.04611	2.9
287.01987	4.6
295.02344	1.0
295.08408	1.3
297.00427	2.7
297.03668	1.6
298.01202	5.0
299.02005	2.2
299.05191	1.6
301.07205	1.2
301.11850	3.1
302.04288	2.7
310.00839	1.0
310.04532	1.4
313.03555	37.3
314.03830	3.5
315.01303	1.8
317.06625	8.1
320.03400	1.0
325.03589	1.3
327.05063	3.8
328.02182	1.2
328.05927	15.7
329.06290	1.9
337.03259	1.5
337.09262	2.5
337.32300	0.9
339.05060	1.5
342.07281	1.3
343.08224	49.1
344.08490	6.0
345.06125	37.8
345.09698	1.2
346.06479	3.8
348.02576	1.7
349.03494	1.8
353.03036	2.6
359.28180	1.8
363.04932	2.3
367.04337	1.5
367.08380	1.3
368.09006	2.0
383.07632	3.9
391.04663	3.3
407.04117	2.8
419.04318	5.3
421.09308	1.8
425.08942	1.2
434.06454	1.4
437.08707	2.7
443.11871	4.2
449.08810	3.7
451.17291	1.0
465.08459	4.9
466.09204	5.5
493.08194	1.1
513.19598	3.0
557.07135	1.4
587.11121	1.3
593.96552	0.9
601.16962	2.1
603.14777	1.3
615.11414	2.6
617.16766	1.4
645.15759	6.2
646.15845	1.5
646.36292	1.3
653.32178	1.2
661.15582	13.6
662.15448	1.8
671.31873	5.3
688.31384	1.2
689.14996	100.0
689.24670	7.9
689.34216	4.7
690.15240	19.0
690.25555	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03325	1.5
59.01250	11.3
60.01572	0.6
61.98699	1.5
63.04476	0.5
67.01759	0.8
69.03354	0.7
69.21520	5.1
71.01251	11.5
72.99169	3.9
73.02826	1.6
73.93423	0.6
75.00746	8.6
81.03316	0.6
83.01233	0.9
83.04878	0.7
85.02821	10.0
87.00756	9.6
89.02313	1.9
95.01273	2.8
96.95922	0.7
97.06470	0.6
99.00757	7.4
101.02320	1.7
103.00262	1.0
105.03353	0.6
109.02847	0.7
111.00797	0.9
111.08020	1.2
113.02335	8.8
115.00266	1.3
117.01837	1.4
120.64148	0.6
121.02876	0.8
129.01816	1.1
130.99719	1.2
131.03394	0.6
135.04411	1.2
137.02364	1.4
139.03877	0.7
147.04425	3.4
148.05208	0.9
149.06013	1.0
157.01317	1.2
159.04419	0.9
165.12759	12.6
171.10133	1.5
175.02350	2.1
179.03447	1.0
183.13829	80.1
184.14201	5.1
191.03549	1.0
191.05507	1.9
192.04219	1.0
193.04996	0.9
201.09126	0.7
209.11751	5.0
211.13383	1.4
215.06999	0.7
219.02640	0.6
227.12827	6.3
249.06087	0.8
253.09229	0.7
301.16574	1.2
313.03448	2.7
314.03854	1.3
315.04044	0.8
343.08102	2.1
344.08597	1.6
345.08966	1.2
353.08951	0.6
415.19635	1.5
453.19888	0.6
459.18826	1.6
477.19687	2.1
507.15317	0.6
511.28839	4.5
512.29492	1.2
625.32288	6.1
626.32733	1.9
643.32190	0.6
657.78784	0.6
669.31354	3.2
670.31519	1.5
687.15881	2.9
687.32324	100.0
688.32739	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82333	0.5
69.45310	4.2
69.45614	0.5
76.41351	0.5
99.57116	0.5
151.00264	1.0
198.03220	0.7
210.03152	1.6
214.02646	0.7
222.41632	0.5
225.05608	1.0
226.02682	2.2
239.57562	0.6
241.01688	0.6
242.02165	2.8
253.01355	1.0
254.02156	1.9
255.02951	0.8
269.01132	0.8
269.04230	0.8
270.01712	7.3
271.02066	0.8
281.00995	0.8
282.01746	0.9
283.02615	1.4
284.03134	1.6
285.04059	13.8
297.03998	1.9
298.01318	3.9
299.05606	1.7
312.02765	0.8
313.03540	60.5
314.03802	5.0
327.05142	3.8
328.05847	24.8
329.06128	2.3
342.07364	0.9
343.08212	100.0
344.08472	10.8
416.47025	0.6
685.15625	54.0
686.04028	0.8
686.15997	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	685.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81261	2.5
71.59569	0.6
74.12854	0.5
87.94109	0.7
108.82381	0.6
177.01816	0.9
210.03191	1.2
213.05466	0.7
218.99948	0.6
220.83658	0.5
223.04121	0.6
225.05565	1.0
226.02631	2.3
227.03508	0.8
229.01271	1.0
242.02225	2.6
243.02623	0.7
254.02133	1.3
269.04462	1.0
270.01685	5.9
283.02493	1.7
284.03342	1.3
285.04056	9.3
297.03998	1.5
298.01340	3.1
299.05527	2.3
312.02704	1.6
313.03534	52.1
314.03815	5.1
320.03152	1.0
327.05118	4.6
328.05826	20.2
329.06192	2.4
332.03241	0.7
343.08231	50.1
344.08591	3.8
351.01157	0.7
391.04507	1.5
407.03979	1.0
419.04025	9.1
420.04370	1.2
433.05261	0.8
434.06369	0.8
449.08960	3.7
576.03455	0.8
623.08075	0.8
655.10822	2.6
670.13373	1.6
685.15601	100.0
686.04144	0.8
686.15930	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	685.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62758	0.5
59.01257	6.5
61.98686	0.6
65.54108	0.4
69.23009	4.0
71.01261	3.3
71.04909	0.7
72.99157	0.5
73.02825	1.3
75.00759	0.6
78.56397	0.4
78.95811	0.5
83.01261	0.7
85.02818	1.7
87.00747	2.3
89.03850	1.9
91.05434	0.7
93.03365	0.9
99.00751	0.7
101.02330	1.3
113.02341	2.1
117.03342	5.9
119.04939	1.2
121.02850	2.0
132.02068	3.1
133.02882	0.8
134.03632	86.4
135.03914	4.1
137.02341	2.2
139.03882	0.8
147.04416	5.5
148.04898	1.0
149.04851	0.7
149.05997	7.9
152.01067	0.9
153.01802	0.7
160.01581	7.5
161.02191	1.3
161.04453	1.3
162.06773	0.5
175.03929	9.4
176.04280	0.9
178.02589	3.1
179.03307	0.5
191.03439	1.5
193.04994	100.0
194.05336	6.5
211.13364	0.5
218.02115	0.9
287.09512	0.6
313.03448	0.6
333.09851	1.4
343.08142	1.1
349.46964	0.5
351.10764	2.4
405.13873	2.2
447.15012	0.8
465.16214	1.2
592.57281	0.6
641.20251	3.0
684.25726	0.7
685.26282	2.8
686.26611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23473	1.3
59.01254	5.1
61.98698	3.7
69.03320	2.3
71.01247	3.3
71.53755	1.4
71.87307	1.5
75.00733	1.5
85.02852	1.7
87.00748	19.6
92.31283	1.4
97.06490	2.1
101.02331	3.1
101.56025	1.5
108.02086	3.3
109.02875	2.2
113.02312	3.0
121.02841	3.6
123.04412	3.5
130.99783	2.5
134.03680	2.1
135.04420	2.9
137.02382	3.1
146.03638	4.4
147.04398	5.8
148.05199	1.8
149.02386	1.7
149.05960	4.5
152.01097	7.5
153.01857	2.1
159.04454	3.4
161.02296	1.9
161.05977	2.2
163.07631	2.1
167.03296	1.4
172.05205	5.2
173.05981	3.7
174.06696	2.3
175.03911	3.8
175.07587	11.9
176.04813	1.7
186.06831	2.4
187.03955	3.0
187.07593	6.3
189.05455	4.2
189.09081	1.9
190.06207	2.8
191.05592	5.0
193.04973	3.8
200.04741	5.1
201.05534	3.0
201.09143	10.4
203.07133	2.9
204.07799	5.2
215.07191	4.0
216.07854	3.0
217.08627	2.8
219.10201	7.5
227.10733	8.1
229.08672	17.0
243.10187	2.3
245.08165	2.7
245.11862	5.0
246.30193	1.6
247.09863	1.8
269.41907	1.6
271.09772	3.7
273.07797	9.3
289.10849	5.4
333.09805	32.2
334.10159	2.4
351.10843	100.0
352.11200	10.2
447.11481	1.8
448.11517	2.2
464.14499	2.0
685.24011	4.2
706.63885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.7
57.82227	0.5
59.01250	7.7
61.98704	2.2
69.03365	0.6
69.53867	0.5
70.02999	1.4
70.03394	1.2
71.01262	5.1
71.86972	0.7
85.02837	0.7
87.00750	0.6
89.02330	4.5
95.04907	0.9
97.06481	14.3
98.06766	0.6
101.02328	4.5
111.00835	0.6
113.02331	2.5
119.03413	1.4
123.08064	7.3
125.09621	100.0
126.09948	4.9
143.10701	1.4
147.04414	1.0
152.99500	0.6
161.04460	1.2
169.08615	2.6
179.05460	0.8
187.09692	77.3
188.10106	3.6
192.06735	0.6
211.09636	1.0
253.09250	2.5
261.13354	1.4
277.21744	17.9
278.22061	2.0
405.17618	6.4
423.18768	19.5
424.18997	1.4
577.65417	0.6
615.75616	0.6
636.80890	0.7
683.40094	97.4
684.28717	1.3
684.40363	20.6
689.00977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03728	1.1
60.99175	3.4
87.00757	2.8
88.98681	13.4
89.02333	1.7
99.00785	1.9
107.01266	1.6
108.02055	2.2
109.02831	1.9
113.02325	1.9
137.02408	1.3
139.00203	1.4
147.04417	2.2
151.00298	6.8
153.01796	1.6
159.04478	1.2
163.00269	2.7
164.01073	1.2
167.03487	1.5
175.04051	2.2
178.53075	1.1
178.99780	3.4
190.99777	1.6
191.05527	2.2
203.03406	2.1
209.11816	1.8
211.19901	1.1
227.03423	3.2
229.61421	1.3
238.65138	1.2
243.02864	8.0
254.02124	3.0
255.02986	25.0
256.03296	2.2
258.01752	1.3
271.02475	48.8
272.02960	5.6
281.15540	1.3
299.01987	3.0
300.02747	100.0
301.03290	16.0
373.04147	2.1
595.13013	83.8
596.13214	14.2
685.25098	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	685.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41595	0.6
58.21712	0.6
58.76118	0.6
69.22420	0.7
69.22702	6.4
74.76495	0.6
141.03484	0.6
147.04399	0.6
151.00316	2.3
185.02321	0.7
186.03087	0.8
197.02623	0.7
198.03093	1.2
210.03171	1.4
211.03976	0.7
213.01862	1.0
225.05515	1.6
226.02660	4.4
227.03362	1.8
228.04156	0.8
230.02133	1.0
241.01357	1.3
241.05031	1.4
242.02156	4.2
243.02815	0.7
245.04503	0.8
253.01376	1.9
254.02217	3.1
255.02931	1.2
267.03064	0.8
268.03745	0.9
269.01114	1.6
269.04529	2.0
270.01694	10.5
271.02280	0.7
280.31717	0.7
281.00952	1.3
282.01733	0.9
283.02448	2.1
284.03284	2.2
285.04053	17.4
286.04266	1.2
297.00549	1.5
297.04050	6.0
298.01236	4.2
299.02328	1.0
299.05609	3.6
312.02991	3.2
312.06000	1.0
313.03540	84.9
314.03989	7.4
314.07611	1.2
327.01553	1.6
327.05099	8.4
327.08652	1.0
328.05865	27.2
329.06265	1.8
342.07367	2.6
343.08234	100.0
344.04575	1.0
344.08533	10.2
357.06186	1.5
432.88440	0.7
655.11078	1.7
670.13165	1.5
685.15649	64.2
686.15979	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	685.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70840	0.7
69.58743	3.6
75.84357	0.7
80.46532	0.7
83.54939	0.6
107.01237	0.7
115.02830	0.6
151.00291	2.0
177.01836	1.0
197.02458	1.2
198.03171	0.8
201.01941	1.0
201.05386	0.6
210.03149	1.5
213.01926	1.0
214.02600	1.2
215.03339	0.8
225.01935	2.1
225.05450	1.5
226.02664	4.1
227.03452	1.4
229.01443	1.4
230.02180	1.0
239.03516	1.2
240.04266	1.2
241.01361	1.7
241.05014	0.8
242.02086	3.2
245.04472	1.2
253.01495	2.7
254.02179	2.6
255.02930	0.8
267.02844	1.3
268.03613	1.5
269.00909	2.3
269.04419	1.7
270.01688	9.6
271.02066	1.4
281.00964	1.8
283.02472	1.8
284.03177	2.6
284.06702	0.7
285.00928	1.3
285.04041	15.1
286.04669	1.4
297.00626	1.5
297.04053	6.2
298.01346	3.9
298.04269	1.1
299.02200	1.2
299.05588	4.6
300.05951	1.4
311.01953	1.0
312.02747	3.4
312.05942	0.9
313.03531	86.1
314.04004	9.7
314.07550	0.9
327.01477	1.6
327.05087	7.8
327.08688	1.3
328.05835	26.8
329.06284	3.5
342.07367	2.7
343.08212	100.0
344.08566	9.2
357.06134	2.8
449.08423	0.7
480.37894	0.9
614.72577	0.7
655.10876	2.0
670.12604	1.7
685.15613	75.0
686.15918	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	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01252	48.5
59.78205	1.2
61.98700	3.4
71.01251	13.1
71.53330	1.7
72.99162	1.6
73.02818	3.2
78.95776	1.9
81.61110	1.3
82.52567	1.3
83.01241	2.7
85.02813	4.7
87.00740	5.4
89.02322	6.3
91.03891	1.4
101.02322	9.9
109.06440	2.0
111.08013	2.2
113.02321	6.0
119.03392	1.6
125.02223	1.3
128.37863	1.1
135.08035	1.4
135.38498	1.3
137.09583	1.2
145.04961	2.8
147.04373	1.9
161.04489	3.1
165.73248	1.2
171.10176	61.9
172.10522	1.9
179.05498	2.5
195.13737	3.0
203.14452	1.7
203.25124	1.3
209.11763	3.0
211.13326	2.6
223.13229	2.1
235.08138	10.1
237.15076	2.0
253.09187	6.7
255.23145	1.7
265.18069	1.9
275.17041	1.7
275.20123	5.5
277.21683	6.5
293.21240	25.6
294.21567	2.7
298.38400	1.3
308.38669	1.5
315.26874	2.4
325.25284	4.5
341.24734	3.3
343.26428	6.6
351.23267	2.6
359.25818	4.8
361.27359	1.8
369.24362	9.4
387.25430	36.1
388.25800	3.0
405.26419	24.0
406.26801	1.6
594.24841	1.9
595.34570	1.9
623.34332	100.0
624.34558	19.1
639.14966	2.0
683.14355	2.2
683.26196	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51564	0.8
57.03324	5.1
59.01249	4.3
61.03703	0.9
61.98709	10.6
69.03329	1.2
71.01255	3.2
71.53252	1.1
73.02827	1.1
78.95789	1.1
81.15230	0.9
83.04910	1.1
85.02824	1.3
87.00750	2.9
89.02321	1.8
95.04887	1.7
97.06470	15.0
101.02322	3.5
113.02330	1.6
123.08064	8.0
125.09616	83.0
126.09947	2.6
139.29388	0.9
145.05011	1.3
147.04431	1.1
161.04503	2.4
169.08615	1.1
187.09689	33.7
235.08160	2.7
253.09229	2.8
277.21719	47.1
278.22043	2.9
314.36951	1.0
322.16745	1.0
393.96359	0.9
405.17627	5.2
423.18823	5.6
651.24677	1.1
683.40045	100.0
684.40424	19.9
707.41803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65961	0.7
59.01258	3.3
61.98690	1.0
68.99703	2.8
69.82531	3.6
71.01261	2.9
79.05396	2.3
81.10394	1.0
85.02819	1.3
85.51719	0.8
87.00761	9.9
89.02309	1.3
91.05418	7.4
93.03378	1.9
95.04887	4.9
101.02333	1.7
103.05404	4.7
105.03349	8.2
108.02079	2.5
109.02858	2.8
113.02340	1.9
117.03350	1.1
119.04932	10.3
121.02861	13.0
122.03660	4.6
124.01602	1.4
124.60437	0.8
129.03372	3.6
130.99765	2.5
133.02876	4.1
134.03638	3.1
137.02351	43.5
139.03920	16.2
145.02849	6.8
146.03635	5.1
146.15894	0.9
147.04427	100.0
148.05217	39.5
149.06039	5.3
159.04488	1.2
160.05251	0.9
161.06013	1.1
162.03210	0.9
163.03935	5.6
163.07608	0.8
164.04707	4.2
172.05197	1.9
173.02319	1.3
173.06047	2.2
174.03093	1.3
175.03957	2.5
183.13849	1.8
185.06053	1.2
187.03946	1.7
187.07576	2.3
188.04745	1.8
191.03433	9.6
192.04218	40.4
193.04933	7.3
194.05385	0.8
196.05402	0.9
201.05551	1.1
201.09125	1.1
207.02917	6.7
211.13350	17.7
212.13751	0.9
215.07112	1.7
217.01352	7.5
217.08623	1.0
218.02144	12.2
219.02950	3.3
224.03214	7.3
225.09212	1.0
227.03487	3.6
235.02533	1.2
236.03233	21.8
237.03882	3.3
243.10345	1.2
247.83588	0.9
253.09294	2.2
255.02962	7.2
284.03265	8.3
285.04050	4.1
297.06134	1.1
297.14951	1.1
313.18185	1.7
323.16708	3.7
331.19287	1.1
340.17230	0.8
341.17542	7.6
349.09338	1.3
357.17136	2.9
359.18939	2.5
385.16595	1.2
447.22061	1.9
561.12677	4.0
565.22937	1.1
577.26587	2.2
595.27563	5.2
596.28387	1.3
621.26001	2.4
639.26642	8.6
665.26544	6.2
666.25366	1.1
683.25726	64.1
684.16815	1.1
684.26172	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	683.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46141	0.6
55.01746	0.6
55.52170	0.5
57.03333	0.6
59.01252	11.8
61.98701	0.6
71.01261	6.7
71.54765	0.7
72.99141	0.6
73.02827	4.2
79.18831	0.7
83.01266	0.7
85.02833	2.7
87.00753	18.5
89.02335	2.2
89.03843	2.2
91.05404	0.9
95.01301	0.8
99.00764	7.0
101.02332	2.5
105.03384	0.7
106.04148	0.8
106.23963	0.5
109.02814	0.9
112.85802	0.6
113.02342	5.2
117.03352	6.5
119.04917	1.8
121.02863	3.4
123.00810	0.5
123.04396	2.4
125.02349	2.5
130.99770	5.6
132.02071	3.7
133.02866	1.7
134.03635	100.0
135.03917	4.2
137.02347	8.7
139.03920	2.7
140.42024	0.5
143.03384	2.1
145.02832	1.6
146.03677	1.4
147.04420	12.9
148.05215	6.0
149.02388	0.7
149.05991	13.2
155.03442	0.7
160.01578	15.0
161.02020	1.3
161.04408	0.8
163.03873	1.2
163.07535	0.6
164.04767	0.8
165.05449	0.8
170.11320	0.5
173.05981	0.9
175.03929	14.3
176.04541	1.3
178.02608	2.2
187.03836	0.9
189.09273	0.7
191.03394	1.6
191.05489	0.8
192.04179	4.8
193.04993	95.7
194.05336	5.8
201.05412	0.7
201.09189	0.7
203.05563	1.4
206.05827	1.0
207.02844	0.7
207.06557	0.7
211.13188	1.1
218.02138	3.1
219.02985	3.8
221.08189	2.9
235.02589	1.1
235.06088	12.3
236.03209	2.4
236.06435	0.9
237.03978	1.1
243.10318	0.8
247.06290	0.8
253.03552	1.8
254.04291	4.3
254.32224	0.7
255.05083	1.6
265.07166	22.0
266.07544	1.9
307.08200	11.1
308.08289	0.8
325.09314	8.8
326.09509	0.9
367.10336	17.0
368.10452	1.8
395.92868	0.6
409.11591	1.5
445.22891	0.7
454.13083	0.9
665.19153	2.7
676.02570	0.7
683.20209	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	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79324	0.7
55.01741	0.9
57.03281	1.4
58.11233	0.7
59.01253	25.0
61.98711	1.6
71.01250	10.1
71.20030	1.5
73.02814	1.5
78.95792	0.8
83.01270	1.4
85.02805	2.3
87.00763	3.6
89.02340	3.9
95.04897	1.0
97.06497	0.7
99.76614	0.7
101.02324	5.9
104.20650	0.8
111.07998	1.7
113.02339	4.8
119.03356	1.1
125.02313	0.8
125.09603	1.1
127.11202	2.1
137.09631	0.9
145.04932	1.4
147.04411	1.0
161.04488	1.5
171.10182	100.0
172.10553	4.6
174.05916	0.8
179.05508	0.9
183.13777	0.7
190.75511	1.0
195.13803	3.2
200.89468	0.8
211.13298	1.3
222.06409	0.7
223.13326	2.6
235.08183	5.7
253.09296	12.7
255.23251	1.3
265.17978	1.2
275.20181	6.5
277.21655	3.0
278.22092	0.7
293.21225	40.0
294.21570	4.4
315.27094	0.9
325.25424	1.9
336.80661	0.8
341.24768	1.5
343.26392	2.0
359.25900	2.1
361.27658	1.0
369.24249	3.5
387.25412	16.9
388.25595	2.9
405.26407	11.9
406.26492	1.5
407.19437	1.0
595.34973	1.1
605.33337	1.0
623.34369	41.0
624.34839	9.6
652.24658	1.1
683.26910	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	683.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85486	0.6
56.87518	0.6
57.03317	1.5
57.10148	0.7
59.01251	8.6
69.03323	1.0
69.20387	1.2
69.20779	6.2
71.00901	0.6
71.01257	7.2
73.02817	1.6
75.00746	0.9
83.01263	1.1
83.72437	0.6
85.02814	3.3
87.00740	4.1
89.02306	4.0
93.03331	1.9
95.04923	1.4
99.00726	1.1
101.02323	6.0
105.03359	0.9
108.02050	0.8
109.02820	2.1
111.00761	0.8
113.02316	2.0
117.03370	0.8
119.04925	1.5
121.02840	2.3
122.03664	1.0
123.04398	1.2
125.02356	3.0
131.03429	0.7
133.02834	1.0
134.03635	5.8
135.04382	2.0
137.02341	8.9
139.00241	0.9
139.03897	3.4
145.02882	0.9
145.06494	0.9
146.03648	3.7
147.03300	1.3
147.04427	25.3
148.05228	8.8
149.02310	1.2
149.05960	2.3
150.03084	1.9
159.03065	0.6
159.04422	12.4
160.01601	1.5
160.05180	5.1
161.02336	1.5
161.04668	1.1
161.05969	5.9
162.03090	0.7
163.03938	1.7
164.04715	1.0
165.05518	1.0
166.59212	0.6
172.05209	12.1
173.04523	1.2
173.05983	25.8
174.03090	3.4
174.06761	7.3
175.03973	3.5
175.07524	1.1
176.04674	1.9
178.02701	1.0
183.04480	1.5
185.05994	4.8
186.06798	7.8
187.03943	8.7
187.07584	6.9
188.04584	2.4
188.08278	2.8
189.05490	10.6
189.09084	0.7
191.03488	1.7
191.05566	1.7
192.04140	3.5
193.04973	9.4
194.05476	0.6
194.25104	0.6
196.05217	2.2
197.06062	6.9
198.06813	4.5
199.07558	3.0
200.04704	3.4
200.08411	5.3
201.05511	15.0
201.09128	3.7
202.06088	0.8
202.09839	0.8
207.02872	0.7
210.06712	0.9
211.03865	0.6
211.07573	2.1
211.13275	3.9
212.04759	1.3
212.08307	2.6
213.05553	2.0
213.09062	1.1
214.06334	1.2
215.07076	7.9
215.10649	1.5
216.07846	15.1
217.08186	1.5
217.12332	0.9
218.05774	1.3
225.05490	1.0
225.09056	1.3
226.10010	1.6
227.07016	1.4
227.10706	0.9
229.08636	0.7
236.03194	1.8
241.12276	3.1
242.05809	2.4
243.13942	1.0
245.11813	1.1
253.09209	1.1
255.13803	1.3
257.15512	1.3
260.06863	2.3
265.12421	0.7
267.13879	0.7
268.11154	0.9
269.15509	2.1
271.13385	1.5
271.17130	0.9
283.13474	5.0
283.16278	1.0
284.13947	1.0
285.14886	6.6
295.13477	0.8
295.16974	2.0
297.14972	45.4
297.18265	1.5
298.15356	4.6
299.12836	0.8
300.13800	3.5
301.14334	2.2
305.15503	1.2
311.12933	6.1
311.16345	0.8
312.13474	1.5
313.14838	0.9
313.17990	3.7
315.15982	11.0
323.16513	30.7
324.16882	4.4
325.14459	2.0
329.13898	2.7
331.19138	0.7
333.09616	1.0
339.15942	2.8
341.17563	47.4
342.17908	5.2
357.16718	1.3
359.18652	13.4
359.23090	0.7
360.18939	1.3
367.15591	3.1
372.89233	0.6
374.28992	0.6
385.12463	0.7
385.16714	6.3
403.17642	2.9
411.14685	1.4
415.21213	0.8
535.31348	1.1
551.25000	1.7
565.22791	2.2
577.26569	3.6
593.26147	1.0
595.18103	0.8
595.27576	13.7
596.28088	2.7
621.25769	5.5
622.25970	0.8
639.26587	32.3
640.27045	5.0
665.24878	16.0
666.24969	2.9
683.25574	100.0
684.25977	19.3
684.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
58.00465	3.3
59.00952	5.1
59.01252	100.0
69.34088	9.2
69.34519	9.9
71.01254	76.6
73.02804	2.5
79.07620	2.1
80.58515	2.1
85.02828	7.6
87.00738	2.3
87.56756	2.2
89.02322	71.8
95.01304	3.3
101.02327	31.0
113.02335	23.2
119.03378	18.7
125.40636	2.3
128.56361	2.1
131.03418	3.5
143.03419	3.9
158.98938	2.2
161.04472	3.0
179.05524	13.6
320.66550	2.6
341.10880	85.0
342.11285	5.9
448.84622	2.6
512.57788	3.1
650.98859	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	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85331	0.8
54.01815	0.7
59.01249	6.8
64.87981	0.8
67.94567	0.9
68.99689	4.5
70.83609	2.4
71.01254	4.1
79.05399	3.0
84.09793	0.8
85.02855	0.9
87.00756	8.5
89.02338	1.8
91.05408	11.2
93.03358	3.2
95.04903	6.8
101.02337	2.0
103.05412	6.4
105.03345	16.7
108.02055	4.8
108.18434	0.9
109.02896	1.4
110.89619	0.8
113.02367	1.0
117.03336	1.3
119.04920	15.5
121.02853	13.5
122.03671	5.0
123.04380	1.2
129.03369	5.4
130.04131	1.4
130.99786	1.4
133.02831	2.2
135.04469	1.1
137.02353	16.5
139.03923	6.5
145.02867	7.1
146.03618	6.6
147.04427	100.0
148.05211	18.8
149.05969	3.9
154.02802	1.0
159.04424	1.3
161.04446	1.3
163.03932	3.1
164.04732	1.9
173.05981	3.1
174.03117	1.1
175.03972	1.1
183.13815	2.0
188.04807	1.5
191.03439	19.0
192.04187	21.1
193.04941	4.8
201.09052	1.0
207.02908	2.5
211.13344	35.3
212.13724	1.9
217.01378	15.2
218.02153	21.6
218.04263	1.3
219.02887	3.0
224.03252	3.2
227.06944	1.2
236.03145	9.3
237.03894	2.3
253.09261	4.7
287.22125	1.0
313.18124	1.5
323.16623	1.9
341.17593	3.6
349.09042	1.3
357.17145	2.0
359.18628	1.1
385.16724	2.2
431.26691	1.0
447.22385	5.0
449.27390	1.2
491.28687	5.3
577.26355	1.0
595.27686	3.3
605.48096	1.5
621.25433	2.2
638.09711	1.0
639.25543	9.5
640.26520	2.0
665.25720	8.5
666.25140	1.8
683.25653	99.4
684.26050	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30095	0.8
54.49764	0.9
59.01246	5.8
59.77501	0.8
60.44063	0.8
60.73712	0.7
68.72218	0.7
70.34633	0.7
71.01260	1.3
73.44227	0.8
87.00750	11.3
89.02304	1.0
91.05414	3.5
93.03336	2.5
95.04903	2.6
98.19804	1.5
99.40417	0.8
101.02296	0.9
103.05408	1.7
105.03362	3.2
109.02851	2.5
111.00732	0.9
119.04942	3.7
121.02843	8.3
122.03638	4.6
123.04404	4.1
124.01568	1.4
125.02356	2.2
127.65631	0.8
129.03368	1.3
130.99750	2.0
133.02875	7.3
135.04446	2.5
137.02351	72.3
138.02713	1.5
139.03914	24.1
145.02861	3.7
146.03642	3.5
147.04425	100.0
148.05222	58.8
148.06190	0.7
149.02376	3.0
149.06026	5.0
150.03117	2.3
151.03932	32.9
152.04306	0.9
153.05505	2.5
159.04381	1.3
160.05171	1.3
163.03911	10.6
164.04733	8.3
165.01889	2.1
172.05205	2.2
173.06012	1.5
174.03012	0.9
175.03856	2.2
179.07028	3.9
187.03996	1.1
187.07640	1.3
188.04741	1.8
189.05453	1.2
191.03423	3.5
192.04214	57.7
193.04802	5.3
201.09164	1.6
202.06284	1.0
207.02927	9.9
211.13339	3.7
214.06279	1.6
215.07053	1.2
216.07832	1.0
216.24744	0.8
217.01466	2.0
218.02150	2.9
219.02960	4.4
224.03270	7.2
225.09204	0.9
236.03236	30.2
237.03893	5.3
245.08018	0.9
257.15503	1.2
285.07874	1.1
285.14975	1.5
295.17014	1.2
297.15048	2.8
313.18082	3.2
315.16113	1.3
317.10312	26.7
318.10818	2.4
323.16522	7.1
339.16132	1.2
341.17639	11.1
342.17737	1.1
349.09662	0.9
357.17130	3.8
359.18729	3.0
359.28406	1.3
383.15125	0.9
385.16782	1.5
403.17780	2.0
416.77051	0.9
445.15115	1.3
471.37585	0.9
479.15585	24.7
480.16019	3.4
521.16425	7.0
522.17133	1.3
565.23566	1.8
577.26990	3.3
595.27344	5.2
596.28119	1.1
621.25861	2.7
639.16241	1.5
639.26532	10.2
640.16089	1.2
640.27374	2.2
665.26038	6.9
666.26105	1.1
683.25690	47.4
684.25970	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	681.45
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89072	17.6
53.23055	18.5
59.12513	19.2
70.68117	52.8
73.23541	16.7
110.98389	21.6
111.49338	21.7
127.32516	23.3
203.87357	21.5
204.15933	20.5
217.87900	18.3
237.90598	20.9
243.52908	21.4
253.21643	21.5
276.91330	18.2
277.21732	95.1
285.43875	21.6
445.23657	100.0
533.08722	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	683.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
59.01246	5.8
69.22073	1.9
69.22742	16.6
71.01254	7.1
80.64793	1.8
85.02837	3.4
87.00763	12.1
88.02398	1.8
88.87652	1.6
93.03333	5.8
99.00753	2.2
101.02326	4.4
108.02078	3.0
109.02831	5.5
113.02371	1.9
118.58587	1.7
121.02854	2.1
123.04420	2.3
125.02371	4.4
127.21143	1.7
133.02858	2.2
134.03667	1.8
135.04382	4.7
137.02345	8.7
145.02853	2.1
145.06589	1.8
146.03615	3.6
147.04437	15.5
148.05208	2.9
149.05959	4.0
152.01060	3.8
159.04433	8.8
160.05205	2.5
161.02394	6.1
161.06018	2.8
163.03894	3.9
163.07526	3.5
164.04657	2.1
172.05208	13.8
173.04579	2.9
173.05971	22.1
174.06740	1.9
175.03925	4.7
175.07608	2.4
176.04652	6.1
185.05968	2.9
186.06767	2.1
187.03957	6.1
187.07581	15.7
188.04749	2.2
188.08345	3.6
189.01869	3.0
189.05547	8.6
189.09192	4.7
191.03458	2.0
191.05511	3.2
193.04977	3.0
196.05228	2.3
197.06024	6.0
198.06738	4.2
199.07545	5.4
200.04747	2.5
201.05479	8.2
201.09152	22.2
203.07162	3.5
204.04251	1.8
204.07901	13.1
212.08311	3.0
214.06369	2.1
215.07173	11.3
216.07822	10.8
217.08641	4.1
217.12395	4.2
225.09242	5.8
227.10751	26.6
229.08676	3.4
243.10239	6.3
245.11864	20.9
271.09656	5.8
289.10864	24.5
290.11249	2.6
305.10464	2.6
333.09830	100.0
334.10181	11.1
349.09244	18.5
351.10742	3.4
614.60950	2.5
647.17444	2.3
665.18787	3.2
683.17206	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	681.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01252	38.4
60.01582	0.3
61.98695	0.6
68.52226	0.2
71.01251	2.1
73.02829	0.6
75.00751	0.4
78.11811	0.2
78.95761	0.2
79.72248	0.2
81.03326	0.5
83.01274	0.8
85.02811	1.2
87.00751	1.2
89.02348	0.5
97.02861	0.3
97.06470	0.7
98.19744	0.5
99.00742	0.5
101.02336	1.2
103.98519	0.3
105.01842	0.4
109.02814	0.3
113.02344	1.0
119.04908	0.3
121.02872	0.5
122.03660	0.4
123.99567	0.3
125.02361	1.6
132.02072	0.4
134.03690	1.2
135.04398	1.0
135.08044	3.2
137.02365	0.9
139.03955	0.3
139.51236	0.3
143.03432	0.3
145.02844	0.5
147.04420	1.6
148.05174	0.7
149.06003	1.9
150.06775	4.9
160.01549	1.3
161.02228	0.4
161.04466	0.7
162.06743	0.3
163.07556	100.0
164.07898	5.5
171.08031	0.3
171.10283	0.4
173.05986	0.3
173.11859	0.3
175.03899	1.9
176.08340	0.5
177.01865	0.3
189.09154	0.4
191.03455	0.3
192.04167	0.8
193.04961	2.0
211.13361	0.5
213.09184	1.7
218.83316	0.3
236.03305	0.4
257.08160	6.7
257.10672	0.5
258.08521	0.5
268.36664	0.3
277.21735	0.9
301.10791	1.0
337.16843	0.3
343.08362	0.3
375.25339	0.3
379.10458	0.6
445.23669	0.5
459.34824	12.4
460.35297	2.5
461.32544	0.4
462.33551	2.2
463.33743	0.4
475.34357	0.3
476.35043	0.3
477.35852	73.2
478.36197	14.0
508.40125	0.3
519.36761	1.6
520.37213	0.3
548.26355	0.3
621.40100	2.3
622.40503	0.8
628.77960	0.4
637.19104	0.9
638.19830	0.4
639.41010	0.4
681.22516	0.4
681.42340	3.8
682.42548	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	681.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
59.01255	20.8
60.99189	1.3
61.98714	3.1
71.01260	4.7
73.02834	1.7
78.95802	3.8
80.02959	1.3
83.04893	3.1
85.02824	1.6
85.12401	1.3
87.00774	2.4
89.02318	1.6
98.52287	1.3
101.02338	2.3
107.04900	1.8
107.90501	1.2
109.06491	2.8
113.02352	2.1
121.02865	1.7
125.02327	1.3
147.04507	1.6
152.99522	3.0
162.06786	56.2
163.07283	2.6
166.44933	1.2
171.10162	2.1
176.08287	2.0
177.09131	43.5
177.10687	2.4
178.09412	1.6
195.13852	3.3
216.35275	1.2
241.01242	1.4
277.21646	2.0
359.29611	2.1
361.31192	2.9
381.31476	1.4
401.79047	1.4
415.35745	4.5
441.33719	3.5
459.34830	44.4
460.35126	8.1
477.35861	100.0
478.36209	19.4
603.39526	1.6
621.39935	2.1
681.32501	4.8
681.42737	3.2
681.81201	1.4
682.30939	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	681.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
59.01257	3.7
65.03830	1.5
67.01775	0.7
70.17072	1.4
70.80154	0.3
71.01263	0.7
73.02830	0.7
75.00046	0.3
80.22322	0.4
83.11600	0.4
87.00771	1.1
89.03866	0.6
91.05408	6.7
92.05746	0.5
93.03342	1.9
95.01263	0.4
103.05412	0.5
108.02061	1.9
109.02839	20.9
111.00751	0.8
117.03403	2.0
119.04919	1.3
119.48847	0.4
121.02843	4.9
123.04405	1.4
124.01521	0.6
125.02340	6.3
132.02072	24.7
133.02930	1.8
134.03638	37.9
135.04425	50.0
136.01550	0.8
136.04764	1.6
137.02348	2.3
138.03133	3.3
138.21112	0.4
139.03960	1.1
143.40323	0.4
145.02864	0.5
147.04430	12.4
148.01630	0.6
148.04854	0.6
149.02367	2.0
149.05998	5.8
151.03937	1.8
152.04538	0.4
153.05472	7.6
159.04372	0.9
160.01575	83.1
161.01942	3.6
161.05943	0.5
162.03088	0.5
163.03854	1.0
164.04668	3.1
174.03154	0.9
175.03928	100.0
176.04279	5.0
177.05496	1.5
178.02626	4.1
179.07051	4.8
185.06068	0.5
187.03885	0.8
189.05511	0.6
193.04999	62.9
194.05334	2.7
199.07579	0.7
201.05542	0.6
202.02686	1.4
203.07007	0.8
204.16129	0.4
210.06831	1.3
211.03957	0.5
211.13258	0.4
212.04755	1.3
215.07109	0.5
216.07841	0.5
217.05049	2.7
218.05597	0.4
225.09253	0.8
226.06352	0.6
227.07083	2.3
229.05048	0.7
233.11745	0.8
239.07103	0.5
242.05867	0.4
243.06491	0.4
253.04948	0.8
254.05894	3.0
255.06572	1.4
256.03775	0.7
257.08182	5.4
259.09738	0.4
268.07361	0.6
269.08194	6.8
270.08615	0.4
271.06165	2.4
272.06421	0.5
283.09952	0.6
285.07895	0.5
286.08414	1.6
301.07361	4.0
301.10797	66.7
302.11102	4.5
319.08292	0.7
325.10809	1.6
379.10345	41.0
380.10672	3.3
409.12827	0.5
427.13840	0.5
441.98276	0.4
487.16144	1.2
681.21832	13.8
682.22083	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	681.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72479	0.3
56.12432	0.3
57.03329	5.0
59.01258	4.2
61.98686	0.3
65.03835	2.2
66.21780	0.3
67.01766	0.7
68.86868	0.3
69.16834	0.3
70.92917	0.6
71.01247	1.4
73.02855	0.5
81.03340	0.6
83.01267	0.8
85.02827	0.4
87.00759	2.2
89.03862	0.9
91.05420	6.8
93.03336	2.0
97.02833	0.4
100.23571	0.3
104.02551	0.5
105.03362	0.4
106.33138	0.3
108.02048	2.1
109.02843	28.2
110.03183	1.1
113.02312	0.4
117.03371	2.3
117.88360	0.3
119.04932	1.7
121.02848	4.5
121.50922	0.2
123.04447	1.6
124.01555	0.8
124.94016	0.3
125.02338	32.3
126.02690	0.9
127.03870	0.4
127.55741	0.3
132.02074	24.3
133.02928	1.7
134.03639	36.0
135.04428	47.8
136.01567	1.0
136.04782	2.2
137.02345	3.5
138.03145	3.5
139.03937	1.1
145.02876	0.6
147.04430	13.8
148.01590	1.3
148.05164	0.5
149.02341	2.7
149.05983	5.3
150.03143	0.5
150.06517	0.3
151.03911	2.0
152.04683	0.7
153.05486	7.1
155.08595	0.3
159.04446	1.0
160.01576	84.6
161.01956	4.0
161.05981	0.6
162.03201	0.4
163.03967	1.1
164.04721	2.7
165.01898	0.8
165.05450	0.7
173.06046	0.5
174.03157	0.8
175.03928	100.0
176.04294	5.7
177.01877	0.5
177.05496	1.6
178.02625	3.3
179.03288	0.4
179.07060	4.3
185.05997	0.8
187.03850	0.7
189.05521	1.0
191.03580	0.4
191.07076	0.5
192.04143	0.4
193.04997	66.4
194.05318	3.8
199.07571	0.5
201.05521	0.8
202.02689	1.3
203.03493	0.7
203.07146	0.6
209.06100	0.7
210.06845	0.9
211.04063	0.4
211.07634	0.7
212.04752	1.3
215.07080	0.8
216.07961	0.4
217.05003	3.3
218.05397	0.4
225.09113	0.6
226.06253	0.6
227.03464	0.3
227.07083	2.8
229.04996	0.4
233.11723	0.5
239.07111	1.0
241.08734	0.3
242.09572	0.4
243.06601	0.4
247.06172	0.6
253.05113	0.7
254.05891	3.6
255.06824	1.5
256.03842	0.8
256.06802	0.5
257.08170	15.0
258.08514	1.7
259.06116	0.5
259.09738	0.7
268.07443	0.4
269.08182	6.1
270.08496	0.7
271.03671	0.3
271.06146	2.2
271.08893	0.4
286.08450	0.9
301.07217	23.0
301.10846	62.6
302.07541	2.4
302.11197	6.7
315.08762	0.4
319.08380	0.6
325.10675	1.5
337.09387	0.6
352.45673	0.4
355.11835	1.0
365.08670	0.5
379.10342	42.3
380.10632	4.9
394.18640	0.3
427.14017	0.5
487.16138	1.0
637.19238	0.3
681.21857	14.1
682.22174	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	681.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48089	0.4
57.03307	0.5
58.57985	0.4
59.01250	13.9
59.01540	0.9
61.98715	1.9
63.16221	0.4
65.03822	0.9
71.01253	3.4
71.53117	0.6
72.99191	0.5
73.02820	1.7
75.97945	0.4
81.54904	0.4
85.02835	1.6
87.00293	0.4
87.00734	2.3
88.98701	0.5
89.02316	0.7
91.05402	6.6
93.03334	1.6
95.01268	0.6
95.04948	0.4
97.02840	0.4
101.02333	2.0
104.02499	0.6
104.48193	0.4
105.03349	1.3
107.04926	0.5
108.02052	1.5
109.02835	10.9
113.02339	1.3
117.03336	1.0
119.04946	0.7
121.02847	5.0
123.04467	1.1
124.01582	0.5
125.02315	0.6
127.84919	0.4
132.01060	0.9
132.02069	24.9
133.02875	8.7
134.03635	20.7
135.04417	48.9
136.01567	1.2
136.04741	1.3
137.02374	2.3
138.03151	2.3
138.85562	0.4
139.00165	0.4
146.03656	0.4
147.04413	7.6
148.05142	0.8
149.02347	2.0
149.05984	4.1
149.64038	0.4
150.03113	0.4
150.06740	0.5
151.03920	1.5
152.04747	0.5
153.05470	5.2
159.04449	0.9
160.01569	94.2
161.02315	9.8
161.05934	0.5
162.02730	0.7
162.06883	0.7
163.03912	1.1
163.07579	3.2
164.04703	3.0
164.05972	0.4
173.05978	0.5
174.03185	0.9
175.03923	100.0
176.04248	5.5
177.01857	2.2
177.05484	1.1
178.02638	3.2
179.03391	1.8
179.07060	6.0
185.05981	0.5
187.03899	0.8
189.05524	0.7
192.04131	0.8
193.04991	27.3
194.05362	1.2
201.05515	1.2
202.02640	0.7
202.06363	0.4
203.06992	0.4
209.11792	0.6
212.04756	0.4
215.06972	0.5
217.04971	0.8
227.07089	1.1
231.06639	0.5
245.08257	0.9
254.05786	1.8
261.07669	0.7
268.07233	0.4
269.08157	2.4
271.06091	1.7
285.07678	0.6
286.08542	1.1
301.10797	44.8
302.11084	2.9
304.05835	0.8
305.06668	1.1
315.12350	0.9
319.08270	3.8
320.64297	0.4
323.07617	0.6
325.10782	0.6
337.09213	2.4
364.07889	3.3
365.08759	6.4
379.10321	54.0
380.10657	4.8
427.13773	2.4
444.27350	0.7
445.14966	3.1
477.35913	2.1
487.15891	2.5
505.17029	0.9
519.37109	0.5
603.38654	0.5
621.19781	8.7
621.59509	0.4
622.20349	1.4
639.20544	2.2
639.41028	0.5
680.40100	1.3
681.21863	18.3
681.40967	3.5
682.22095	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38305	1.4
57.03318	19.7
59.01252	33.7
60.10476	1.3
61.98702	27.4
65.03810	2.5
67.01767	1.5
69.75044	6.6
70.02235	1.3
71.01254	12.1
72.99136	1.4
73.02811	2.0
73.31884	1.4
81.03315	2.1
83.01248	3.9
85.02796	1.9
86.06548	1.3
87.00743	28.7
87.01266	1.6
89.02319	3.0
91.01740	1.9
91.05404	4.7
93.03336	4.9
95.01259	2.0
95.04906	2.5
101.02309	4.2
102.26611	1.5
105.03275	1.9
105.40976	1.3
107.04926	1.8
108.02039	4.5
109.02831	32.8
110.03143	1.7
113.02317	4.6
117.03305	2.4
119.01260	2.8
119.04887	6.4
121.02853	17.4
122.03625	3.4
123.04409	8.1
124.01591	1.7
125.02335	100.0
126.02644	1.4
130.99774	6.9
132.02071	18.8
133.02831	4.9
134.03636	34.7
135.04407	33.2
136.01573	1.8
137.02344	20.5
139.03908	2.8
145.02870	3.5
146.03651	2.7
147.00714	1.9
147.04424	19.7
148.01625	1.8
148.05130	2.4
148.79333	1.4
149.02339	13.7
149.05962	13.6
150.06728	5.4
151.03896	4.7
153.05507	1.7
159.04414	3.2
160.01573	73.6
161.02278	5.9
163.03903	4.9
163.07565	13.8
164.04671	9.6
165.01895	1.7
171.04375	2.4
173.05991	2.9
174.03102	1.8
175.00319	20.3
175.03920	79.2
176.01048	3.4
176.04315	4.8
177.01817	4.2
177.05457	2.0
178.02632	3.3
179.03349	1.8
179.07057	4.9
187.03947	2.8
187.07645	1.9
188.04596	1.9
189.01868	2.7
190.02634	47.6
191.03365	9.2
192.04141	4.8
193.04991	45.5
194.05263	1.7
201.05478	2.9
201.09184	1.8
203.06985	1.6
205.05005	49.1
206.05283	1.8
207.02975	1.8
208.03677	2.6
209.04410	1.8
211.13322	3.9
215.07027	2.8
217.04979	2.5
219.02876	2.6
223.06044	19.9
234.01724	1.9
239.07031	2.1
254.04135	3.1
257.08176	27.4
269.08023	3.3
271.06845	1.3
271.09744	30.7
272.09988	1.7
286.08450	4.6
301.07135	65.1
301.10791	41.1
302.07498	8.1
302.10974	3.2
319.08081	2.1
343.08151	4.2
379.10309	34.1
380.10669	2.8
395.09705	3.6
409.11401	20.0
415.13879	1.7
457.15176	2.3
462.33301	2.7
476.35040	4.6
477.15259	3.2
477.36331	12.1
490.90518	1.5
494.18405	1.5
549.48853	1.4
621.19879	4.3
621.39532	3.0
637.18939	2.0
663.17639	1.7
681.21832	30.4
681.40533	5.2
682.21429	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	681.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.4
61.98705	0.8
70.46988	2.0
71.01269	3.5
72.99185	1.1
73.02816	1.4
75.00738	1.5
80.03500	0.6
83.01298	0.7
85.02830	2.7
87.00760	5.5
89.02310	2.9
93.03326	3.4
95.01264	1.2
97.02833	0.7
98.10033	0.7
99.00774	1.9
101.02317	1.6
108.02084	1.0
109.02832	1.4
111.00784	0.9
113.02338	2.5
119.03394	0.7
119.04903	0.8
121.02797	1.0
123.00813	0.7
123.04427	1.6
125.02354	1.5
134.03638	0.9
135.04414	1.8
137.02394	3.4
139.00305	0.8
139.03918	1.0
143.35130	0.6
145.02859	1.1
147.04466	3.1
149.06013	1.3
150.03157	0.7
151.00240	0.9
151.03951	0.8
152.01033	0.9
153.01801	1.0
159.04414	0.8
160.01529	0.7
161.02364	2.8
161.04469	0.6
161.06029	0.7
163.03899	1.8
165.05420	0.7
167.03435	2.1
173.04482	1.2
173.05975	1.5
175.03940	2.0
177.01860	1.2
179.03349	1.0
181.04955	0.9
185.06012	1.5
186.06573	0.7
187.03912	1.7
187.07664	0.9
189.01941	0.9
190.02594	0.8
191.05562	1.4
192.04175	1.0
193.05034	1.6
196.05261	1.5
197.06000	0.7
199.04013	0.7
199.07576	1.3
201.05458	1.5
203.03401	0.8
205.04893	1.1
213.05489	1.2
214.06169	1.0
215.02988	0.6
225.05649	1.0
227.03482	5.1
229.04976	1.5
241.05087	1.0
243.03137	0.8
249.03790	1.5
249.06146	1.2
253.04971	0.8
254.02184	2.1
255.02928	7.8
256.03506	1.4
267.02972	1.8
267.07272	1.0
269.04599	6.7
270.04709	0.8
271.02457	1.2
281.04541	2.7
283.06143	2.0
284.03253	11.7
285.04025	9.3
286.04410	0.9
293.08698	0.8
295.13367	1.8
297.04047	58.2
298.04300	4.7
300.02765	1.5
311.05612	2.4
312.06393	16.0
313.03571	2.0
313.06833	1.4
314.03809	1.4
315.04382	1.0
321.14914	2.0
327.08740	100.0
328.05646	0.8
328.09064	8.7
339.16135	4.1
343.08344	3.6
344.08694	2.6
345.08783	2.2
351.11041	0.8
357.17096	1.6
369.09592	0.8
373.12888	2.2
396.22128	0.8
403.14209	1.0
417.10590	2.2
433.15219	6.6
434.15372	1.4
463.10434	0.9
593.26184	2.2
637.21558	3.7
663.23718	1.0
681.14429	11.3
681.26385	4.7
682.16980	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08181	0.2
59.01254	6.3
65.03838	1.5
67.01763	0.5
69.03327	0.2
69.68121	0.2
69.68441	1.1
71.00195	0.2
71.01248	1.7
73.02816	1.3
83.01271	0.5
85.02809	0.6
87.00761	0.3
89.02343	0.3
89.03849	0.6
90.22176	0.2
91.05414	7.4
93.03334	1.8
95.01249	0.3
101.02334	1.0
103.92822	0.2
104.02563	0.2
105.38200	0.2
107.04931	0.3
108.02068	1.0
109.02838	11.8
110.03175	0.2
111.00782	0.3
113.02333	1.0
117.03353	1.6
117.40220	0.2
119.04922	0.7
121.02842	4.3
123.04409	0.8
124.01573	0.3
125.02354	0.3
132.02071	23.6
133.02919	2.8
134.03638	27.9
135.04420	51.3
136.04756	1.9
137.02353	1.6
138.03137	2.0
139.03958	0.4
143.03452	0.2
145.02858	0.2
146.03552	0.2
147.04428	7.5
147.05600	0.4
148.04967	0.3
149.02374	1.9
149.05977	4.6
151.03899	1.0
152.04691	0.5
153.05482	5.3
155.03416	0.2
159.04433	0.8
160.01575	87.6
161.02335	11.4
161.04370	0.2
161.06049	0.6
162.02841	0.5
163.03889	0.4
163.07590	0.5
164.04713	2.7
165.05122	0.3
167.06976	0.2
171.04483	0.2
173.06024	0.2
174.03166	1.1
175.03925	100.0
176.04269	5.4
177.05472	0.9
178.02647	3.5
179.03430	1.8
179.07063	5.2
180.07408	0.2
185.06029	0.4
187.03912	0.2
188.04633	0.3
189.05504	0.8
190.06313	0.2
192.04181	0.3
193.04994	42.8
194.05321	1.9
199.07587	0.3
200.05032	0.2
201.05508	0.9
202.02646	1.5
203.03398	0.8
203.07120	0.4
210.06816	0.6
212.04770	0.5
213.05441	0.4
217.05019	2.5
218.05472	0.3
225.09093	0.4
226.06331	0.3
227.07138	1.5
229.05064	0.5
233.08150	0.4
233.11653	0.3
242.09479	0.2
244.07387	0.2
247.06137	0.4
253.05063	0.6
254.05827	1.6
255.06522	0.7
256.03683	0.4
259.09763	0.5
268.07483	0.2
269.08167	3.0
270.08432	0.3
271.06079	1.3
272.06482	0.2
283.09869	0.2
286.08493	0.6
299.09198	0.2
301.10803	49.4
302.07928	0.4
302.11157	4.5
315.12534	0.5
319.08337	0.3
325.10742	1.5
337.09393	0.3
339.12125	0.2
340.09579	0.2
343.11816	0.3
355.11850	1.4
356.12238	0.3
365.08774	4.8
366.09930	0.2
367.11716	0.3
379.10345	26.8
380.10687	2.9
383.11514	0.2
409.12854	0.5
427.14001	1.4
445.15256	0.6
469.69089	0.2
477.35492	0.3
487.16119	4.4
488.16434	0.7
505.17105	0.4
621.40338	0.2
681.21869	22.3
681.42029	2.8
682.22186	5.2
711.63971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
61.98677	0.2
68.89697	0.2
71.01254	0.8
71.23569	0.2
73.02815	0.4
87.00732	1.8
93.03341	0.2
99.00745	0.5
101.02342	0.4
111.00680	0.2
113.02326	0.6
114.01830	0.2
114.02677	0.2
117.03349	1.1
119.04867	0.2
130.99770	0.4
132.02061	0.6
134.03635	13.5
135.04233	0.4
137.02330	0.5
147.04419	0.5
149.05966	1.5
159.04402	0.3
160.01573	2.0
161.02364	0.3
173.05890	0.3
175.03940	2.7
177.01842	0.5
178.02513	0.2
187.03963	0.3
187.07550	0.3
189.01874	0.3
190.02602	0.4
193.04991	18.6
194.05315	0.9
198.03038	0.5
199.03792	0.2
201.01723	0.2
201.05550	0.3
210.03122	0.9
212.04578	0.2
213.05563	0.5
214.02588	0.4
225.05482	1.0
226.02626	1.8
227.03346	0.6
229.01344	0.4
230.02068	0.3
241.04987	0.6
242.02194	1.9
243.02707	0.3
245.04462	0.3
253.01343	0.6
254.02116	1.6
255.02768	0.6
257.04645	0.5
267.02939	0.3
269.04684	0.6
270.01697	5.7
271.02328	0.5
281.00955	0.6
282.01880	0.4
283.02444	0.8
284.03152	0.7
285.04068	9.4
286.04346	0.7
295.02570	0.3
297.04062	2.3
298.01166	2.8
299.02127	0.3
299.05493	1.3
301.10730	0.6
312.02762	0.5
313.03534	46.9
314.03864	4.1
327.01584	0.3
327.05151	3.5
328.05853	19.9
329.06201	1.7
337.09357	0.2
343.08203	100.0
344.08557	9.8
344.12033	0.2
442.36053	0.2
505.13245	0.5
637.19202	0.3
681.27399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	15.1
58.03663	0.3
59.01250	0.8
61.01863	0.1
61.98717	0.3
65.03834	0.2
66.37871	0.1
71.01257	0.3
72.09403	0.1
81.03336	1.6
83.01259	3.5
85.02820	0.2
87.00764	1.2
88.98695	0.2
89.02300	0.1
93.03338	0.2
97.02850	0.2
101.02305	0.2
105.03358	0.1
106.57802	0.1
107.01257	0.2
108.02070	0.4
109.02837	1.8
113.02305	0.2
117.03372	0.2
119.04905	0.2
121.02857	0.2
123.04404	0.5
124.01567	0.8
125.02339	100.0
126.02669	2.7
130.99782	0.2
131.00644	0.1
131.81139	0.1
132.02061	1.5
133.02872	0.4
134.03642	1.7
135.04372	0.4
136.01541	0.2
137.02373	0.8
139.03896	0.4
145.02820	0.2
147.04434	1.1
148.01558	0.5
148.05165	0.2
149.02350	0.8
149.05991	0.6
151.03897	0.9
152.01111	0.2
160.01575	4.8
161.02309	0.4
163.03896	0.6
163.07605	0.1
165.01929	0.2
167.03435	0.3
172.05234	0.1
173.02383	0.2
173.04463	0.2
173.06050	0.2
175.03920	3.8
176.04660	0.4
177.01888	0.8
178.02585	0.3
179.03419	0.2
189.01808	0.2
189.05460	0.2
191.03432	0.5
191.07076	0.4
192.04131	0.2
193.04951	1.6
194.05153	0.1
200.04707	0.2
202.06187	0.2
209.04399	0.2
211.13359	0.2
215.07098	0.3
217.05055	0.3
223.06071	0.1
242.05806	0.1
257.08197	1.7
258.08572	0.2
271.02454	0.7
271.05240	0.1
299.05750	0.2
301.07172	63.0
302.07501	5.1
315.08780	0.5
331.08203	0.1
343.08185	0.3
367.08276	0.3
379.10242	0.5
411.22626	0.1
433.28244	0.2
487.12418	0.3
505.13568	0.4
628.28973	0.1
659.00171	0.1
663.16187	0.2
681.18060	1.0
682.18573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.1
65.03849	1.0
69.29469	4.1
69.29897	4.0
71.01259	1.6
73.93713	1.0
79.05401	1.1
85.02839	1.2
87.00752	14.8
88.98662	1.1
89.02322	1.0
89.03836	1.5
89.82906	1.0
91.05410	5.5
93.03328	2.5
97.02822	2.0
99.00787	0.9
99.12299	1.0
105.51671	0.9
107.04806	0.9
108.02051	2.1
109.02831	20.5
111.00757	1.1
117.03368	3.0
119.04955	1.9
121.02843	21.4
123.04385	1.6
130.99759	2.6
132.02066	19.2
133.02901	6.4
134.03635	47.2
135.04422	49.7
136.04764	2.3
137.02339	6.1
138.01898	4.4
147.04420	15.9
148.01540	1.1
148.04932	0.9
149.02480	1.0
149.05972	7.1
159.04440	1.5
160.01569	80.3
161.02373	13.4
161.06021	1.1
163.03882	2.3
171.08072	1.1
173.05959	2.7
174.03114	1.2
175.03923	100.0
176.04291	4.8
177.01840	1.7
177.05460	1.5
178.02637	4.0
179.03386	1.1
187.03990	1.4
187.07585	2.5
188.04570	1.1
189.01892	1.8
189.05363	1.0
189.23602	1.1
190.02647	3.2
193.04993	61.6
194.05354	4.3
197.06177	1.2
198.06610	0.8
198.97845	1.0
201.05515	1.7
202.02780	1.4
203.03459	1.4
213.09158	2.3
215.07098	3.2
217.05034	1.4
219.10013	1.0
223.13492	1.3
229.08699	1.1
235.07626	1.4
239.07158	2.5
257.08185	59.4
258.08524	4.0
271.09784	1.4
281.08139	6.1
293.08389	1.3
311.09283	2.2
365.08752	5.6
379.10342	28.6
379.18225	1.3
380.10767	2.7
383.11273	3.3
401.12289	1.2
408.11804	2.3
434.09732	1.1
438.35376	1.0
443.13525	8.8
592.25305	1.0
637.19196	45.6
637.29810	2.2
638.19281	9.8
663.17065	1.8
681.27954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99485	0.7
59.01242	4.5
67.57100	0.8
71.01242	2.5
71.54623	1.1
72.99182	1.2
73.02816	1.0
85.86460	0.8
87.00743	5.0
89.02346	1.7
93.03333	38.8
99.00767	1.2
101.02297	1.5
113.02348	1.1
119.04933	3.4
121.02834	1.8
123.04388	1.1
135.04369	1.1
137.02341	100.0
138.02682	3.4
145.02824	1.7
146.03619	3.5
147.04405	7.2
148.05168	3.1
148.06351	0.9
149.05965	3.0
160.01692	0.9
160.05138	0.8
161.02388	1.0
161.05865	0.8
162.03178	1.0
162.06833	0.9
163.03911	2.6
173.06006	1.0
185.06009	1.0
186.06749	0.9
187.03880	1.0
187.07550	1.1
188.04668	1.1
191.03334	2.4
192.04164	1.2
193.04968	2.0
201.05470	1.5
209.04414	0.7
214.06342	1.0
230.97429	0.9
237.04059	0.9
289.10797	1.3
307.11868	1.0
311.16632	4.6
329.06409	1.2
329.17227	1.5
333.09708	1.0
339.15970	2.5
351.10895	9.3
352.11163	0.9
357.16837	1.6
371.41602	0.8
436.10953	1.0
593.26599	1.1
611.60522	0.8
637.25317	1.9
663.23663	1.6
681.24530	11.4
682.25299	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	680.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.2
59.01255	5.1
59.06748	0.1
60.01587	0.2
61.52566	0.1
61.98705	100.0
62.98418	0.2
71.01257	1.1
73.02824	0.4
78.95744	0.2
85.02852	0.5
87.00749	2.0
89.02335	0.2
91.05402	0.4
91.16771	0.1
93.03358	0.4
95.04891	0.2
99.00787	0.2
101.02345	0.4
109.02855	0.7
109.36085	0.2
113.02358	0.4
117.03364	0.5
117.80402	0.2
119.04917	2.1
120.05283	0.6
121.02856	0.7
122.02380	0.2
130.99780	0.3
132.02055	1.2
133.02808	0.4
134.03645	2.0
135.04416	2.7
137.02379	0.7
138.03233	0.2
145.02864	1.3
146.03520	0.2
147.04404	1.7
148.05209	0.4
149.06007	0.8
150.06792	0.3
153.05533	0.2
159.04501	0.3
160.01566	4.9
160.02829	0.2
161.02383	0.6
163.03925	3.3
163.05199	0.2
163.07613	0.6
164.04276	1.0
174.03160	0.2
175.03926	6.2
178.02614	0.2
179.03436	0.2
179.07071	0.3
187.07628	0.2
188.04465	0.3
189.05464	0.2
191.03532	0.5
191.05615	0.2
192.04269	0.5
193.05013	3.1
202.02652	0.2
208.25485	0.2
209.11752	0.2
211.13373	0.4
215.07166	0.3
217.05046	0.2
219.02980	0.1
240.10979	0.2
269.08435	0.2
277.21793	0.4
297.14984	0.2
301.10825	2.7
343.08224	0.2
357.38171	0.2
365.08960	0.2
379.10391	1.7
394.11121	0.2
433.26016	0.3
445.24112	0.2
476.35114	0.2
477.35950	0.6
487.16077	0.3
544.37152	0.2
556.16101	0.2
621.40375	0.6
637.32428	0.4
680.31348	0.2
681.21741	1.4
681.42273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01252	62.6
60.01584	0.8
61.63522	0.3
61.98689	1.7
69.03320	0.4
71.01254	2.2
73.02832	0.6
83.01303	0.4
85.02828	1.3
87.00765	2.7
93.03326	0.3
97.06454	0.6
99.00800	0.4
101.02348	0.8
104.42657	0.3
113.02330	1.1
113.09634	0.6
121.02877	0.7
122.78197	0.4
130.99782	0.4
135.04402	0.4
135.08061	3.1
136.08623	0.4
137.02338	0.7
143.47559	0.3
146.03627	0.4
147.04430	1.6
149.06053	1.7
150.06775	6.9
157.12273	1.1
161.17471	0.4
163.07558	100.0
164.07884	4.9
167.89035	0.3
171.10161	0.6
173.05968	0.4
176.08315	0.6
191.03436	0.6
192.04181	0.8
193.04913	0.5
211.13353	0.7
214.06207	0.3
215.06973	0.4
243.10068	0.4
302.18851	0.6
317.21265	1.2
346.21530	0.6
360.59262	0.4
361.23431	0.4
382.02515	0.4
457.33142	2.2
458.33707	0.6
460.31842	2.1
461.31949	0.5
473.32834	0.5
475.34299	85.6
476.34662	13.5
499.34201	2.2
517.35486	2.3
538.67169	0.4
559.36438	0.7
619.38458	4.7
620.38782	0.8
637.40753	0.5
679.40643	2.0
680.14478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.9
59.01251	19.6
60.01604	0.2
61.98715	0.5
62.32600	0.1
65.41328	0.1
69.03320	0.3
70.76837	0.1
71.01267	0.9
71.33841	0.3
73.02844	0.2
83.01245	0.2
85.02831	0.4
85.06462	1.7
87.00754	1.2
95.04906	0.1
97.06475	0.2
99.00771	0.2
101.02328	0.5
106.22649	0.2
113.02383	0.3
114.28811	0.1
117.40088	0.1
119.04894	0.1
121.02875	0.3
122.03635	0.2
129.09114	0.9
135.08046	3.0
137.02367	0.3
143.10698	1.5
147.04410	0.6
148.05217	0.3
149.06023	0.7
150.06769	3.3
151.07043	0.2
163.07555	100.0
164.07892	4.5
169.60075	0.1
171.10214	0.4
175.07632	0.2
176.08354	1.0
182.96683	0.1
189.09248	0.2
191.03505	0.2
211.13278	0.2
289.18207	0.2
316.20477	0.4
330.22000	0.3
331.22739	1.0
332.23047	0.2
345.24341	1.4
346.24860	0.2
394.72150	0.2
399.29144	0.2
416.29416	0.2
431.31711	0.9
457.33224	0.6
460.32040	1.6
475.34271	86.6
476.34604	12.6
499.34296	0.6
517.35406	1.1
619.38556	2.1
620.39117	0.4
637.39636	0.2
679.40143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61316	1.5
57.03287	1.8
59.01259	5.3
61.98711	4.4
70.30061	2.2
70.30427	5.5
71.01270	9.1
72.99173	5.2
73.02817	2.6
75.00771	2.5
77.51711	1.5
83.50278	1.6
85.02827	6.5
87.00755	6.7
89.02323	2.9
93.03345	5.5
96.95909	1.9
98.20587	1.9
99.00768	4.6
101.02347	3.4
106.19727	1.8
108.02058	51.1
109.02891	14.8
111.00797	1.9
113.02351	5.0
119.04916	4.0
121.02844	7.4
123.00736	3.0
123.04464	2.0
125.02355	3.3
130.84279	1.7
133.02806	2.3
134.03638	14.6
135.04411	2.9
137.02342	7.6
139.03960	2.1
145.02859	2.7
146.03621	2.6
147.03165	4.0
147.04439	5.2
148.03920	2.5
148.05058	2.0
149.04842	1.5
149.06001	4.4
150.03148	2.1
152.01057	100.0
153.01849	8.3
156.04417	1.8
160.01559	4.1
161.02377	3.1
161.06120	2.0
162.03156	2.5
163.03879	4.4
165.04089	2.7
166.05019	1.9
168.00565	3.4
173.04716	5.6
174.05426	3.6
175.03952	7.6
177.01816	3.8
177.05467	4.0
178.02547	2.7
179.03334	5.9
179.06995	2.6
189.05548	2.3
191.02127	3.4
191.05551	3.4
193.05011	20.4
194.05382	3.4
200.03453	2.9
201.05479	2.6
201.09120	2.3
209.03259	3.2
227.03319	2.0
232.06123	5.3
250.07190	5.4
270.01837	3.0
271.02258	3.5
285.04114	4.9
286.04425	5.7
300.02643	2.4
313.03528	18.7
314.03879	18.8
323.91287	1.6
328.05835	7.6
329.06244	8.0
333.09830	3.8
343.08188	38.4
344.08594	43.0
345.09070	3.1
367.10724	2.2
429.10379	37.3
430.10757	2.5
447.11465	41.9
448.11700	4.4
528.13495	2.9
622.15405	7.4
630.14655	2.5
632.57135	2.3
637.14679	1.9
639.16016	2.9
648.15149	4.5
662.16846	18.8
663.16992	5.0
680.18292	21.0
681.17639	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	679.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38800	0.4
55.01751	1.2
57.03330	0.7
58.00463	2.2
59.01251	36.0
61.98687	0.5
68.99663	0.6
69.03317	1.5
71.01251	33.6
71.32931	0.7
72.01584	0.5
72.99175	3.0
73.02816	5.7
75.00754	1.1
80.96410	0.5
81.03319	1.7
83.01250	3.7
85.02820	7.8
87.00746	7.8
89.02315	28.7
90.82113	0.3
91.03873	0.7
93.03380	0.4
95.01262	2.5
95.10600	0.4
97.02818	5.9
99.00740	2.4
99.04370	0.5
101.02321	27.4
102.02650	0.5
107.01253	0.4
109.02831	0.5
111.00756	0.9
111.04388	1.1
113.02332	14.0
115.03858	0.7
119.03387	9.2
121.02855	0.8
125.02331	11.5
126.02632	0.4
131.03368	1.0
133.04974	0.9
137.02376	0.4
139.03893	0.9
143.03409	5.4
149.04485	0.8
161.04460	6.4
167.03444	0.6
169.05016	0.7
179.05534	5.4
185.04466	0.5
185.86765	0.4
199.06105	0.5
217.07031	0.7
219.04939	0.5
221.06544	2.3
230.95197	0.4
235.08185	14.0
236.08499	0.4
245.06622	0.8
253.09308	2.4
263.07700	1.3
273.40817	0.4
277.09323	0.9
281.24841	100.0
282.25204	9.3
287.07727	3.4
295.26443	0.8
305.08743	3.4
323.09750	1.6
361.11575	0.6
379.12369	0.6
387.28540	0.5
397.13470	75.2
398.13770	5.8
415.14548	29.8
416.15045	2.3
658.31274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
55.43765	1.1
58.00467	1.8
59.01253	41.4
61.98701	2.6
67.18748	0.8
69.03323	3.2
71.01255	36.7
72.99183	4.5
73.02817	5.1
78.95789	1.5
80.96407	1.5
81.03302	1.2
83.01243	3.9
85.02830	7.6
87.00745	9.6
89.02321	32.4
94.09871	0.8
95.01251	2.2
97.02814	6.6
99.00757	3.3
101.02329	30.4
101.03008	1.6
104.22203	0.8
105.53375	0.8
111.04402	1.1
113.02333	14.3
115.03933	1.1
115.81532	0.7
119.03388	9.5
123.30459	0.8
125.02340	13.5
127.03788	1.0
131.03500	1.0
133.04926	1.0
139.03920	1.4
143.03426	5.7
161.04471	7.5
179.05516	6.0
211.13364	0.9
217.07056	1.0
219.05092	0.8
221.06645	2.0
235.08191	13.6
245.06697	0.9
253.09286	3.5
277.21619	1.4
281.24850	100.0
282.25171	10.6
287.07706	2.8
295.26431	1.2
305.08755	4.5
323.09863	1.2
379.12311	0.9
397.13495	76.8
398.13791	7.5
415.09003	1.7
415.14557	33.0
416.15057	2.1
531.72736	1.1
654.17676	1.0
654.28162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46477	0.3
55.01748	0.3
57.03315	0.4
59.01250	3.9
61.98699	0.3
62.47510	0.3
69.03369	0.4
71.01254	2.6
71.54297	0.4
72.99180	0.6
73.02824	0.9
83.01299	0.4
83.36986	0.2
83.72538	0.2
85.02835	2.2
87.00750	3.0
89.02333	1.8
89.03841	1.7
93.03336	0.6
95.01277	0.3
97.06484	0.3
99.00752	3.1
101.02346	1.0
105.18604	0.3
106.04106	0.5
107.04901	0.3
108.02063	0.6
109.02867	0.4
113.02333	2.8
117.03353	5.6
118.03728	0.4
119.03422	0.3
119.04929	0.8
130.99715	0.6
132.02068	2.1
133.02888	0.3
134.03636	73.4
135.03885	2.6
137.02350	1.1
139.03889	0.3
145.02864	0.3
145.58145	0.3
147.04427	0.8
149.04649	0.7
149.05997	7.0
152.01082	0.5
160.01567	7.6
161.02272	0.6
161.04503	0.4
163.03925	1.0
165.05467	0.3
173.04567	0.3
175.03932	10.0
176.04269	0.6
178.02625	1.5
179.03366	0.4
191.05530	0.5
193.04996	100.0
193.85228	0.3
194.05345	5.5
235.06120	0.3
253.14323	0.3
263.33478	0.4
265.07147	0.7
267.07272	1.1
271.77634	0.3
294.64893	0.3
313.03540	0.5
343.08224	0.4
367.10538	0.5
373.25858	0.4
429.14432	0.3
475.29358	0.3
485.24133	0.4
503.21582	0.5
517.19067	1.1
518.19763	0.3
556.66455	0.3
635.36011	0.6
646.12805	0.4
679.30322	4.3
680.29285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09686	0.1
58.56351	0.1
59.01236	0.6
62.29129	0.1
65.87981	0.1
69.09157	0.1
71.01247	0.2
87.00754	0.4
89.02325	0.2
93.03296	0.2
95.01308	0.2
97.71659	0.1
101.02321	0.2
111.00713	0.2
113.02307	0.2
117.03405	0.2
134.03629	1.0
137.02336	0.4
147.04430	0.2
149.02356	0.3
149.05946	0.3
151.00247	0.2
152.01038	0.3
161.02319	0.3
163.03862	0.3
173.02338	0.2
174.02995	0.1
175.03917	0.3
177.01746	0.3
178.02551	0.2
178.35739	0.2
185.06137	0.2
190.54219	0.1
193.04982	1.2
195.06531	0.1
198.03084	0.4
201.02036	0.2
202.02658	0.2
203.03500	0.2
210.03160	0.8
211.03894	0.3
213.05554	0.3
214.02632	0.5
215.03500	0.2
225.01888	0.2
225.05582	0.9
226.02690	1.8
227.03304	0.5
229.01321	0.4
230.02209	0.3
239.03470	0.3
240.04080	0.1
241.05122	0.5
242.02213	1.6
243.02869	0.2
245.04562	0.4
251.03398	0.2
253.01369	0.5
254.02190	1.6
255.02730	0.4
269.00906	0.2
269.04504	0.6
270.01727	5.2
271.02112	0.5
281.00827	0.6
282.01569	0.4
283.02554	0.9
284.03256	0.6
285.04056	9.7
286.04370	0.7
295.02487	0.3
297.04050	2.2
298.01227	2.9
298.04526	0.3
299.01712	0.4
299.05618	1.7
303.82880	0.1
312.02734	0.6
313.03543	47.0
314.03915	3.9
323.07819	0.2
327.05124	3.1
328.05872	19.0
329.06232	2.1
343.08221	100.0
344.08563	10.3
436.93469	0.2
473.09842	0.1
679.18127	0.2
679.29480	0.3
707.06000	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	679.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46733	0.1
55.84909	0.1
59.01254	1.7
66.23325	0.1
68.18987	0.1
71.01256	0.3
72.99223	0.2
77.03860	0.3
77.26550	0.1
85.02843	0.4
87.00771	0.3
93.03345	0.4
98.19651	0.2
101.02344	0.1
109.02807	0.1
113.02333	1.3
121.02850	100.0
122.03180	3.5
125.02328	0.2
133.02846	2.7
134.03229	0.2
137.02350	0.4
139.03978	0.1
143.03415	0.3
147.04443	0.1
167.03375	0.1
203.05554	0.1
224.08417	0.1
229.34109	0.1
239.10756	5.7
240.11127	0.4
275.07809	0.3
515.19238	1.5
516.19806	0.3
557.20630	0.3
619.31476	0.2
620.33075	0.1
679.28381	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	679.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73260	0.2
59.01247	2.3
61.98697	1.0
65.00189	1.8
71.01254	1.0
71.52893	0.3
73.02783	0.2
78.95770	0.3
83.01250	2.9
83.54823	0.3
85.02819	0.4
87.00746	3.3
91.05399	0.3
93.03344	0.5
99.00759	0.4
101.02351	0.3
102.58990	0.2
107.01281	0.8
109.02836	0.4
111.00723	0.2
113.02345	0.3
119.04903	0.5
121.02889	0.5
122.03730	0.3
125.02318	0.4
126.14829	0.2
130.99741	0.8
132.02104	1.7
134.03647	2.6
137.02336	0.9
145.02867	0.3
146.03613	0.5
147.04413	2.8
148.01581	0.8
148.05161	0.3
149.05986	0.7
151.00291	2.1
159.04410	0.5
160.01569	2.6
161.02260	0.5
163.03908	1.0
165.05504	0.3
171.10141	0.5
172.05249	0.6
173.04468	0.9
173.05881	0.5
174.03162	2.3
175.00333	0.4
175.03906	2.4
176.01115	0.3
176.04317	0.4
178.02620	0.4
178.98384	0.3
185.05951	0.6
186.06812	0.3
187.03917	0.5
188.04724	0.8
189.05490	3.3
191.03329	0.3
191.05492	0.3
192.00552	0.3
192.04150	0.6
193.04964	3.1
196.05246	0.4
198.03143	2.2
199.03818	0.4
200.01103	0.6
200.04744	0.4
200.55728	0.2
201.01979	0.4
201.05441	1.4
209.11801	0.4
211.03955	0.8
211.13347	0.6
212.04779	1.5
213.05507	1.5
214.02650	3.7
215.03337	1.5
215.06960	0.5
216.04221	6.2
217.04779	0.5
227.03406	0.9
227.07074	0.3
228.04276	0.6
231.06596	12.5
232.06964	0.9
239.03534	0.5
240.04211	3.8
241.04762	0.3
242.02264	0.3
255.03015	0.6
255.06642	1.0
256.03751	1.0
257.04468	0.6
267.02954	0.4
267.06613	0.4
268.06805	0.3
271.13229	0.3
279.06613	0.5
281.04257	0.3
283.02466	0.3
284.03268	19.5
285.03680	1.4
297.07764	0.4
299.05603	100.0
300.05957	7.0
313.03430	0.8
313.06903	0.6
313.14178	0.3
314.03879	0.4
315.03958	0.3
329.06329	0.4
343.08154	1.6
344.08521	1.5
345.08884	1.3
365.07065	0.3
458.42139	0.3
459.12952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.0
60.77486	2.2
71.01250	26.9
71.15626	6.3
72.32800	2.2
72.99188	6.7
75.00729	14.1
85.02813	23.8
87.00756	10.0
88.33151	2.3
89.02310	4.3
91.01768	1.9
91.29150	2.2
95.01245	2.8
99.00752	17.8
108.02044	6.5
109.02827	6.8
111.00806	2.7
111.87206	2.6
113.02335	25.6
115.00241	2.6
122.03603	2.9
123.04400	6.4
129.01839	2.4
134.03729	2.8
144.46324	2.2
146.03592	4.7
147.04439	4.7
157.01208	2.2
159.04416	40.4
160.05136	8.6
161.02342	2.6
161.06009	12.0
171.04366	3.1
173.02356	4.1
173.05978	29.4
175.02420	2.3
175.03909	3.3
187.03973	7.5
190.02650	2.7
191.05545	7.6
197.02144	2.6
199.03987	5.8
203.03424	4.1
204.84267	2.4
229.01369	5.2
239.06993	3.6
241.04921	5.4
249.06032	8.4
250.06367	2.7
253.05011	5.0
254.05811	4.7
261.05286	3.3
263.07129	4.8
265.04968	3.2
266.05780	5.0
267.07019	43.1
268.07278	4.6
269.08127	3.3
277.05063	4.9
278.05743	4.4
279.06622	16.9
280.07367	14.5
281.08206	14.0
282.08890	27.3
283.09390	4.3
289.04962	4.2
290.05896	6.5
291.06497	5.4
292.07227	2.7
293.04736	4.1
295.06512	2.9
295.09738	9.4
297.11298	23.0
306.05322	8.7
307.06137	44.3
308.06903	40.2
321.07617	14.4
322.08340	2.9
323.09229	35.4
341.10361	4.3
349.07129	9.8
366.07397	4.2
367.08258	12.3
393.06396	18.3
415.14526	3.1
485.10773	5.2
563.14453	4.5
591.17200	17.8
617.15576	4.1
635.16223	32.5
661.14069	100.0
662.14502	18.0
679.15118	50.7
680.15698	7.6
690.28125	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03310	1.3
58.00462	1.5
59.01255	37.3
60.01577	0.5
61.98702	2.1
69.03333	2.3
71.01258	35.4
72.01583	0.7
72.99184	3.0
73.02822	5.9
75.00758	0.7
78.95767	0.5
80.96384	1.0
81.03321	1.2
83.01257	3.7
83.04903	0.4
85.02827	8.2
85.99937	0.4
87.00751	9.0
89.02323	30.1
91.03894	0.5
95.01265	2.8
97.02832	6.7
99.00774	2.4
99.04353	0.4
101.02330	29.5
102.02646	0.6
103.03866	0.5
105.01814	0.8
109.02836	0.4
111.00761	1.2
111.04396	1.0
112.01525	0.5
113.02340	14.3
115.03866	0.5
115.91955	0.4
116.92754	0.8
119.02585	0.6
119.03397	10.2
121.02877	0.5
124.01549	0.8
125.02351	12.7
129.01857	0.4
129.93060	0.3
131.03392	0.9
133.04967	1.2
137.02327	0.4
139.03856	1.1
141.01808	0.8
143.03404	6.4
149.02339	0.4
149.04424	0.8
161.04474	6.4
167.03439	0.6
171.02753	0.5
179.05540	6.4
185.04451	0.8
199.06006	1.1
203.05638	0.5
217.07066	0.9
221.06581	2.5
225.00671	0.5
235.08195	13.8
236.08466	0.5
245.06679	1.1
253.09262	3.1
263.07858	1.7
277.09164	0.9
277.21439	0.4
279.23297	100.0
280.23669	8.6
287.07742	3.2
305.08746	4.4
323.09888	2.0
361.11444	0.6
379.12366	0.9
397.13513	74.8
398.13873	5.9
415.14578	31.7
416.14673	2.2
577.27136	2.5
677.49762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97059	0.7
55.01740	1.3
57.03320	0.9
59.01246	8.3
61.98706	1.6
62.69945	0.8
69.03311	1.0
70.40894	2.6
71.01253	8.9
72.99173	1.6
73.02814	3.2
85.02827	4.6
87.00751	3.8
89.02299	4.0
89.03822	2.6
89.16441	0.9
95.01260	1.9
97.02804	0.9
99.00772	6.0
101.02312	4.1
109.02838	0.9
113.02330	11.9
117.03352	7.8
119.03355	1.2
119.04929	3.9
121.02854	0.9
131.03391	1.4
132.02078	2.2
133.02895	1.1
134.03630	98.3
135.03996	3.5
137.02354	2.6
145.02847	4.6
145.03882	0.8
147.04391	2.1
149.04773	1.3
149.05986	13.0
150.06416	0.8
152.03363	1.5
159.04424	0.8
160.01564	12.8
161.04488	4.9
163.03931	6.0
165.01833	0.9
166.42644	0.7
169.12262	1.0
171.10245	0.8
173.04568	1.1
175.03908	15.6
176.04391	1.1
178.02608	4.0
191.03490	1.0
191.05534	1.4
191.07083	1.4
193.04993	100.0
194.05264	3.8
206.05829	1.5
209.11723	1.0
211.13336	1.0
215.05508	1.0
217.05016	1.0
221.08134	5.3
234.30435	0.8
235.06090	18.6
236.06442	1.0
265.07181	32.0
266.07465	1.7
267.06946	0.9
281.08728	2.9
307.08191	7.5
313.03366	1.6
325.09283	13.5
326.09564	1.6
343.08170	1.2
344.08722	1.3
356.17523	0.9
367.10336	23.9
368.10773	1.6
409.11334	2.4
427.12482	2.0
469.13379	1.1
471.19290	0.8
531.20795	5.2
539.19287	1.4
645.24530	1.0
659.16302	1.3
677.24097	8.7
678.25189	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	677.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03674	1.2
57.03299	3.8
58.00436	1.6
59.00996	1.6
59.01254	20.4
61.98687	3.9
67.54150	1.3
69.03329	1.8
71.01257	20.7
72.99180	7.6
73.02795	3.1
74.58998	1.3
75.00739	13.6
81.03311	1.6
83.01270	2.4
83.04872	2.2
85.02819	18.1
87.00760	13.5
89.02303	6.2
93.03317	3.7
94.86662	1.2
95.01247	5.4
96.95898	6.8
99.00748	10.5
101.02306	2.3
103.00257	2.1
105.40450	1.3
109.02812	1.8
111.00787	1.8
113.02333	27.9
115.00210	1.6
117.01793	2.7
117.03351	5.7
119.04923	20.5
121.02880	2.6
121.06461	1.2
123.04424	3.3
123.08080	7.2
129.01784	2.6
129.68924	1.3
133.02806	1.6
134.03658	3.3
135.04384	3.0
137.02298	2.0
145.02852	18.2
147.04369	2.1
149.02278	3.3
149.05968	3.6
158.82698	1.4
159.04440	1.3
160.01553	1.6
161.02292	1.7
163.03925	21.0
167.03360	2.0
171.11681	3.8
173.04602	1.4
175.02431	2.4
187.03867	1.5
189.12746	1.9
191.05568	3.0
193.03421	1.7
193.05005	5.0
201.05394	1.5
207.05081	1.7
223.13403	1.7
237.14915	5.1
249.06160	13.1
261.07529	1.7
267.07202	42.0
281.13937	4.7
343.07938	2.1
395.09778	2.9
412.31979	1.4
413.10886	32.5
414.11099	3.0
511.28412	1.5
513.19281	1.7
523.12482	1.5
531.20801	40.1
532.21185	4.2
532.44464	1.4
659.16449	4.1
677.24481	100.0
678.24896	17.3
709.18689	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	677.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03316	1.2
58.00470	1.6
59.01254	38.3
61.98693	0.4
69.03333	2.1
69.20992	2.4
71.01256	34.2
72.01593	0.5
72.99183	2.8
73.02821	5.7
75.00755	0.8
77.84763	0.2
77.85219	0.3
80.96425	0.2
81.03336	1.6
81.89427	0.3
83.01261	3.7
83.04915	0.3
85.02826	7.2
85.99970	0.3
87.00753	8.7
87.04396	0.3
88.01089	0.3
89.02319	28.8
90.02695	0.2
91.03905	0.6
93.03326	0.5
95.00671	0.4
95.01249	2.9
95.04903	0.3
97.02827	6.1
99.00758	2.2
99.04401	0.4
101.02325	29.5
102.02688	0.5
102.58482	0.2
103.03910	0.4
109.02829	0.5
111.00786	0.7
111.04408	0.9
113.02335	14.8
114.02673	0.5
115.03902	0.7
119.03391	9.4
121.02842	0.5
123.00745	0.4
124.01588	0.5
125.02337	12.5
126.02658	0.3
127.03934	0.3
131.03406	1.6
133.04977	1.1
135.04414	0.2
137.02362	0.4
139.03891	0.6
141.01857	0.9
143.03412	5.5
149.02472	0.3
149.04482	0.9
157.04971	0.3
161.04475	6.3
167.03415	0.7
169.05014	0.5
171.02884	0.3
177.97145	0.3
179.05527	6.0
185.04413	0.5
199.06110	0.4
203.05515	0.5
217.07166	1.0
219.05048	0.6
221.06598	2.3
235.08191	13.1
245.06612	0.8
253.09232	3.2
261.22342	0.4
263.07697	1.3
277.09180	0.9
279.23285	100.0
280.23663	9.6
280.26764	0.5
287.07718	3.6
293.24869	0.3
305.08765	4.2
323.09735	1.4
361.11343	0.6
379.12466	1.2
397.13498	75.2
398.13806	6.2
398.18680	0.5
415.14572	31.5
416.14938	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	677.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64362	0.8
57.88903	0.6
59.01265	6.0
65.09294	0.7
67.83996	0.7
69.06433	0.7
71.01244	3.5
71.52750	1.4
71.55628	0.8
73.02819	1.9
75.00706	0.8
79.34616	0.8
85.02808	1.8
87.00767	1.7
89.02317	1.6
89.03825	1.5
89.39762	0.7
93.03280	0.7
99.00745	4.0
101.02348	1.5
113.02303	2.8
117.03345	6.5
119.04947	2.3
121.02821	0.8
125.02299	1.4
132.02040	2.6
134.03635	84.8
134.64662	0.7
135.04019	3.4
137.02336	1.1
145.02827	3.2
147.04428	0.9
149.02328	0.9
149.06020	7.5
160.01555	7.4
163.03911	1.7
166.02721	0.7
171.10094	0.9
175.03952	10.2
175.07845	0.8
178.02647	2.4
193.04997	100.0
193.15028	0.7
194.05280	6.1
210.68227	0.8
235.06256	0.9
237.11151	0.8
265.07190	1.8
270.05460	1.5
313.03442	1.0
325.09320	1.0
343.08423	1.2
344.08667	1.1
367.10431	2.3
377.43311	0.8
458.70343	0.8
458.76755	0.8
531.20996	4.0
536.09778	1.2
633.21320	1.5
659.16296	1.2
677.24286	4.9
678.24487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15082	0.3
59.01250	3.1
61.98716	1.3
67.33459	0.3
70.82696	0.6
71.01242	0.9
72.99165	0.3
73.02809	0.6
78.95755	1.5
85.02820	0.4
87.00746	2.8
89.02312	0.6
93.03302	0.4
99.90145	0.3
101.02312	0.6
108.02115	0.3
109.02887	0.3
113.02338	0.6
118.45613	0.3
119.04928	0.5
121.02837	0.7
122.03614	0.3
130.99707	0.3
132.02074	0.6
134.03625	1.1
135.04391	0.4
137.02325	0.7
145.02850	0.5
145.05153	0.3
146.03621	0.6
147.04413	5.9
148.04881	0.6
149.02321	0.4
149.05986	0.9
152.99475	1.0
159.04448	1.4
160.01466	0.4
161.02405	0.4
163.03926	1.2
165.84035	0.3
171.00467	0.5
171.10170	0.6
172.05186	0.6
173.04469	0.4
173.05960	0.5
174.03120	0.5
175.03903	1.2
175.07472	0.5
184.05135	0.4
185.06120	0.4
187.03937	0.5
187.07513	0.5
189.05341	0.5
190.02640	0.4
191.03407	0.5
191.05379	0.4
192.04274	0.4
193.04968	2.2
197.05997	0.7
198.03119	0.4
199.07574	0.7
201.05345	0.3
201.09125	0.5
209.11771	1.4
210.03131	1.1
210.12112	0.3
211.13353	0.8
213.05479	0.5
213.09111	1.0
214.02652	0.5
214.06187	0.3
215.06924	0.3
215.10687	1.2
223.03935	0.5
223.05914	0.4
225.01942	0.7
225.05481	1.1
226.02657	1.7
227.03355	0.9
229.01468	0.6
229.08548	0.5
230.02197	0.3
239.03433	0.8
239.07042	0.4
240.04129	0.6
241.04996	0.6
242.02161	1.5
251.03419	0.8
252.04265	4.2
253.01482	0.4
253.04578	0.5
254.02318	1.3
257.04379	0.6
259.09769	0.8
266.02338	0.3
267.03342	0.6
267.06625	6.4
268.03751	0.6
268.06998	0.6
269.00824	0.9
269.04544	0.7
270.01648	5.3
271.02173	0.6
281.01050	0.4
282.05258	1.1
283.02396	1.1
284.03217	1.4
285.04037	10.0
285.07187	0.6
286.04327	0.6
295.02600	0.3
297.00443	0.8
297.04031	2.1
297.07666	3.8
297.14697	0.3
298.01227	2.4
298.04337	0.5
298.07965	0.4
299.01990	0.5
299.05569	1.9
309.04083	0.5
312.02609	1.6
313.03522	45.1
314.03918	5.1
314.07849	0.7
323.16422	0.4
327.05096	3.9
328.05853	17.1
329.06210	2.4
342.07419	6.7
343.08197	100.0
344.08545	11.6
345.08566	0.3
352.09351	0.4
353.77670	0.3
367.11740	1.0
397.13263	0.3
557.18066	2.8
558.18829	0.6
601.17249	0.6
615.16663	0.3
633.19061	0.8
677.30212	0.9
677.41199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03674	1.2
57.03299	3.8
58.00436	1.6
59.00996	1.6
59.01254	20.4
61.98687	3.9
67.54150	1.3
69.03329	1.8
71.01257	20.7
72.99180	7.6
73.02795	3.1
74.58998	1.3
75.00739	13.6
81.03311	1.6
83.01270	2.4
83.04872	2.2
85.02819	18.1
87.00760	13.5
89.02303	6.2
93.03317	3.7
94.86662	1.2
95.01247	5.4
96.95898	6.8
99.00748	10.5
101.02306	2.3
103.00257	2.1
105.40450	1.3
109.02812	1.8
111.00787	1.8
113.02333	27.9
115.00210	1.6
117.01793	2.7
117.03351	5.7
119.04923	20.5
121.02880	2.6
121.06461	1.2
123.04424	3.3
123.08080	7.2
129.01784	2.6
129.68924	1.3
133.02806	1.6
134.03658	3.3
135.04384	3.0
137.02298	2.0
145.02852	18.2
147.04369	2.1
149.02278	3.3
149.05968	3.6
158.82698	1.4
159.04440	1.3
160.01553	1.6
161.02292	1.7
163.03925	21.0
167.03360	2.0
171.11681	3.8
173.04602	1.4
175.02431	2.4
187.03867	1.5
189.12746	1.9
191.05568	3.0
193.03421	1.7
193.05005	5.0
201.05394	1.5
207.05081	1.7
223.13403	1.7
237.14915	5.1
249.06160	13.1
261.07529	1.7
267.07202	42.0
281.13937	4.7
343.07938	2.1
395.09778	2.9
412.31979	1.4
413.10886	32.5
414.11099	3.0
511.28412	1.5
513.19281	1.7
523.12482	1.5
531.20801	40.1
532.21185	4.2
532.44464	1.4
659.16449	4.1
677.24481	100.0
678.24896	17.3
709.18689	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	677.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83866	3.4
59.01265	19.3
61.98711	9.0
65.08241	3.3
69.17171	3.6
69.29327	38.0
71.01271	8.6
85.02853	7.3
87.00749	16.1
93.03341	6.4
98.19833	9.4
99.00780	7.8
101.02339	4.1
105.03351	7.3
106.71770	4.1
107.04931	3.8
113.02346	9.7
117.03368	8.8
119.04916	21.8
121.02831	10.2
122.03655	7.1
125.02317	4.9
134.03632	53.9
135.04367	5.8
137.02344	62.6
138.02750	4.8
139.03949	20.6
145.02844	9.1
147.04427	100.0
148.05225	37.3
149.06050	9.4
151.03831	5.4
152.03479	8.9
160.01584	7.7
163.03899	22.8
164.04741	5.8
173.05951	10.7
175.03928	14.7
187.07611	4.6
191.03397	12.4
191.05202	4.1
192.04201	63.3
193.04988	67.7
207.02896	6.5
211.13402	4.5
221.22575	3.8
224.03198	9.6
236.03203	53.0
245.11844	4.8
253.05016	14.5
257.09262	3.9
265.07211	7.5
313.03561	10.6
333.09796	92.9
334.10287	10.8
343.08139	7.4
383.11450	4.7
392.11053	5.9
466.10849	5.8
677.27332	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	677.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15082	0.3
59.01250	3.1
61.98716	1.3
67.33459	0.3
70.82696	0.6
71.01242	0.9
72.99165	0.3
73.02809	0.6
78.95755	1.5
85.02820	0.4
87.00746	2.8
89.02312	0.6
93.03302	0.4
99.90145	0.3
101.02312	0.6
108.02115	0.3
109.02887	0.3
113.02338	0.6
118.45613	0.3
119.04928	0.5
121.02837	0.7
122.03614	0.3
130.99707	0.3
132.02074	0.6
134.03625	1.1
135.04391	0.4
137.02325	0.7
145.02850	0.5
145.05153	0.3
146.03621	0.6
147.04413	5.9
148.04881	0.6
149.02321	0.4
149.05986	0.9
152.99475	1.0
159.04448	1.4
160.01466	0.4
161.02405	0.4
163.03926	1.2
165.84035	0.3
171.00467	0.5
171.10170	0.6
172.05186	0.6
173.04469	0.4
173.05960	0.5
174.03120	0.5
175.03903	1.2
175.07472	0.5
184.05135	0.4
185.06120	0.4
187.03937	0.5
187.07513	0.5
189.05341	0.5
190.02640	0.4
191.03407	0.5
191.05379	0.4
192.04274	0.4
193.04968	2.2
197.05997	0.7
198.03119	0.4
199.07574	0.7
201.05345	0.3
201.09125	0.5
209.11771	1.4
210.03131	1.1
210.12112	0.3
211.13353	0.8
213.05479	0.5
213.09111	1.0
214.02652	0.5
214.06187	0.3
215.06924	0.3
215.10687	1.2
223.03935	0.5
223.05914	0.4
225.01942	0.7
225.05481	1.1
226.02657	1.7
227.03355	0.9
229.01468	0.6
229.08548	0.5
230.02197	0.3
239.03433	0.8
239.07042	0.4
240.04129	0.6
241.04996	0.6
242.02161	1.5
251.03419	0.8
252.04265	4.2
253.01482	0.4
253.04578	0.5
254.02318	1.3
257.04379	0.6
259.09769	0.8
266.02338	0.3
267.03342	0.6
267.06625	6.4
268.03751	0.6
268.06998	0.6
269.00824	0.9
269.04544	0.7
270.01648	5.3
271.02173	0.6
281.01050	0.4
282.05258	1.1
283.02396	1.1
284.03217	1.4
285.04037	10.0
285.07187	0.6
286.04327	0.6
295.02600	0.3
297.00443	0.8
297.04031	2.1
297.07666	3.8
297.14697	0.3
298.01227	2.4
298.04337	0.5
298.07965	0.4
299.01990	0.5
299.05569	1.9
309.04083	0.5
312.02609	1.6
313.03522	45.1
314.03918	5.1
314.07849	0.7
323.16422	0.4
327.05096	3.9
328.05853	17.1
329.06210	2.4
342.07419	6.7
343.08197	100.0
344.08545	11.6
345.08566	0.3
352.09351	0.4
353.77670	0.3
367.11740	1.0
397.13263	0.3
557.18066	2.8
558.18829	0.6
601.17249	0.6
615.16663	0.3
633.19061	0.8
677.30212	0.9
677.41199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89601	5.6
54.34188	5.3
65.75571	5.1
74.19276	7.2
98.19646	10.7
105.03304	9.1
113.36631	6.3
119.04928	12.3
121.02900	6.4
123.04432	5.9
137.02344	16.3
147.04410	100.0
148.05170	15.0
154.36674	6.2
163.03766	9.3
191.03467	11.0
192.04190	16.7
240.13019	6.0
333.09763	84.4
334.09973	8.7
541.94543	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	677.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.1
62.21012	0.9
68.00449	1.1
69.47312	2.4
69.47721	5.7
71.01244	4.6
72.99186	1.3
75.00742	3.4
81.41041	1.1
85.02820	4.7
87.00740	2.2
89.02302	1.8
89.03841	3.2
95.01279	1.8
99.00766	2.2
113.02319	4.6
115.00206	1.2
117.03349	11.1
123.00773	3.0
123.04422	1.2
133.02841	5.0
134.03642	7.9
137.02365	5.2
141.61572	1.2
145.02829	3.2
149.05965	2.6
160.01526	4.4
161.02350	100.0
162.02693	4.9
175.02322	1.2
175.03860	1.9
177.01849	10.4
189.01866	69.1
190.02350	5.3
193.05034	5.7
200.04683	2.0
207.02919	2.9
215.03418	2.3
229.01498	5.4
233.00873	54.8
233.48550	1.1
234.01201	4.6
249.06078	2.5
253.05025	1.1
254.05695	1.1
258.82886	1.1
267.07043	8.7
279.06561	1.3
281.04584	1.5
306.05255	1.3
309.04102	1.9
321.07584	1.6
322.04678	2.7
323.05563	2.4
324.06287	3.3
339.08786	8.3
350.04227	4.2
365.06683	4.7
443.12048	10.8
457.11499	5.7
497.09283	1.8
499.12332	2.4
520.64386	1.2
615.13654	3.0
633.14594	23.4
634.15247	4.4
677.13605	39.4
678.13812	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	677.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.9
71.01246	7.2
71.54363	2.9
82.83762	2.9
85.02843	4.5
87.00726	5.2
91.05415	5.4
92.09206	3.0
103.05434	5.6
105.03352	8.6
113.02320	3.8
117.03335	3.1
119.04191	3.0
119.04861	14.1
121.02827	11.4
122.03594	4.6
128.40187	2.7
132.97571	2.6
133.02919	4.2
134.03625	16.2
137.02348	16.9
139.03912	5.6
145.02872	3.6
147.04422	100.0
147.05597	5.1
148.05226	18.5
159.40910	3.8
161.02327	8.5
163.03888	17.5
175.03877	4.7
176.04781	3.3
191.03436	23.8
192.04156	19.4
193.04997	15.3
215.07091	4.8
221.35689	3.3
248.06400	3.2
254.02304	3.3
289.10818	11.1
313.03586	11.3
333.09769	79.8
334.10077	8.5
343.08304	16.7
343.11917	3.5
344.08249	5.1
406.75760	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	675.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57289	0.3
53.88897	0.3
56.29644	0.4
59.01254	100.0
60.01588	1.1
61.98711	0.5
69.60022	0.3
71.24172	0.7
87.00761	0.4
98.61405	0.3
101.79719	0.3
102.68903	0.3
104.90774	0.3
211.04404	0.3
211.13347	0.6
309.20758	0.6
340.67957	0.4
413.81552	0.3
479.33438	0.4
486.99966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03320	1.5
58.00467	2.3
59.01252	51.6
60.01585	0.6
61.98708	0.3
67.01760	0.3
68.99678	0.6
69.03325	2.5
71.01254	41.9
72.01592	0.5
72.99175	2.9
73.02818	6.5
75.00738	0.9
79.14378	0.2
81.03330	2.0
83.01255	4.9
83.04900	0.4
85.02824	9.6
85.99980	0.3
87.00751	11.4
87.04364	0.4
89.02318	36.7
90.02654	0.5
91.03902	0.7
93.03313	0.4
95.01269	2.9
97.02831	7.4
99.00751	2.8
99.04402	0.6
101.02322	34.0
102.02680	0.4
103.00228	0.6
103.03899	0.5
109.02857	0.9
111.00790	0.8
111.04395	1.4
113.02328	17.4
113.05923	0.2
114.02634	0.5
115.03897	1.0
119.03390	11.4
121.02858	0.5
123.00774	0.4
123.04411	0.3
124.01557	0.4
125.02339	14.2
126.02688	0.4
127.03902	0.6
131.03395	1.9
133.04956	1.6
135.04549	0.2
137.02380	0.4
139.03923	1.1
141.01831	0.8
143.03400	7.8
144.03703	0.3
149.02434	0.2
149.04489	1.3
159.30681	0.2
161.04472	8.8
167.03401	0.9
169.04968	0.4
171.02940	0.5
179.05528	7.8
185.04446	0.7
199.06102	0.8
203.05524	0.4
210.40584	0.2
217.07098	1.4
219.04996	0.5
221.06616	2.8
233.22705	0.5
235.08192	17.2
236.08533	0.7
245.06668	1.1
253.09244	3.9
259.20724	0.4
263.07712	1.5
275.20050	0.5
277.09473	1.5
277.21713	100.0
278.19003	0.5
278.22058	9.3
283.08112	0.2
287.07733	3.5
291.23438	0.6
305.08752	4.4
306.09015	0.5
323.09802	2.5
361.11374	0.7
379.12390	1.1
397.13492	77.8
398.13797	7.6
415.14569	34.6
416.14929	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	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
56.99689	0.3
57.03329	1.5
58.00467	2.2
59.01253	52.1
61.98698	0.2
68.99680	0.5
69.03330	2.7
71.01254	45.2
72.01613	0.5
72.99178	2.6
73.02821	7.4
75.00739	1.5
81.03323	2.2
83.01261	4.6
83.04900	0.5
84.02062	0.3
85.02825	9.2
85.99992	0.3
87.00756	10.1
87.04370	0.3
89.02317	37.1
90.02665	0.6
91.03893	0.7
93.03320	0.4
95.01273	3.2
95.04900	0.6
97.02828	7.4
99.00751	3.0
99.04364	0.6
101.02323	34.2
102.02683	0.3
103.03839	0.7
109.02829	0.7
111.00749	0.8
111.04391	1.4
112.01561	0.3
113.02335	15.6
113.10359	0.2
114.02660	0.4
115.03903	0.9
119.03394	12.0
121.02847	0.9
123.00768	0.4
123.04440	0.6
124.01586	0.5
125.02337	14.4
126.41064	0.3
127.03934	0.6
127.07527	0.3
129.01823	0.2
131.03423	1.7
133.04985	1.2
137.02376	0.4
139.03922	1.3
141.01834	0.8
143.03403	6.8
144.03787	0.3
149.02411	0.4
149.04457	1.3
157.04996	0.4
161.04465	8.5
167.03397	1.0
169.04961	0.7
179.05540	7.2
185.04474	0.7
199.06201	0.6
203.05545	0.4
217.07141	1.4
219.05042	0.8
221.06590	2.9
233.22617	0.5
235.08185	15.0
236.08536	1.0
245.06624	0.9
253.09277	4.3
259.20801	0.6
263.07642	1.9
275.20224	0.5
277.09583	1.5
277.21716	100.0
278.22073	9.2
287.07761	3.1
288.08029	0.3
291.23138	0.4
305.08759	3.7
323.09860	1.6
361.11365	0.9
379.12604	1.6
397.13507	82.3
398.13840	6.1
404.03214	0.2
415.14572	33.5
416.15030	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	675.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.2
59.01253	22.4
61.98699	11.5
65.00180	2.0
71.01255	11.5
71.54275	3.8
75.00729	2.1
80.04927	5.1
81.03336	4.6
83.01258	3.3
83.04906	5.0
85.02829	5.9
87.00743	12.4
89.02320	5.0
91.05380	2.3
93.03342	4.6
94.02837	2.6
94.06492	2.2
95.01230	2.9
95.04905	3.6
97.02843	4.1
98.02365	4.4
99.00768	5.2
99.04417	3.1
101.02332	7.6
105.03357	2.9
106.06538	3.4
107.01305	2.8
107.03670	3.7
108.02087	2.5
109.02853	5.3
110.02391	10.4
111.04414	11.5
112.98756	2.3
113.02345	5.0
119.04960	5.7
120.08079	7.2
121.02863	7.6
122.03679	4.2
122.06023	33.6
123.04411	6.8
124.03957	2.6
125.02332	16.9
133.02827	2.3
134.03645	9.8
134.06075	3.3
135.04427	2.7
137.02353	16.3
138.03087	3.6
139.02676	2.8
139.03822	3.0
145.02869	6.2
147.04405	15.1
147.45082	2.3
148.05177	7.0
149.02367	4.1
149.05981	4.9
150.05521	9.4
151.00281	6.8
151.03859	3.4
152.01031	6.4
152.03462	7.7
152.07060	37.0
153.01804	3.1
154.05029	3.9
159.04466	2.9
160.01619	4.1
160.03963	2.9
160.05203	2.4
161.02307	3.1
161.04585	3.4
162.05534	2.6
163.03934	7.9
165.01941	11.9
166.02618	22.1
167.03415	15.3
171.10239	3.1
172.05237	2.8
173.04533	3.0
173.05977	3.3
174.03113	3.4
174.05498	4.3
175.03851	5.6
176.01122	3.3
177.01868	6.3
178.99829	3.6
179.03403	2.1
187.07631	3.9
187.11217	2.3
189.01881	3.0
189.05453	2.7
190.05080	5.6
191.03375	5.1
191.05586	2.9
192.04221	8.3
193.01390	5.7
193.05055	13.9
194.02126	10.5
197.04488	2.7
201.05550	4.0
201.10307	7.9
209.11771	37.9
210.12090	22.1
211.03922	2.7
211.12303	5.6
213.05376	2.4
213.10265	3.2
214.06152	2.6
216.07826	2.7
217.05049	2.4
221.00839	13.1
224.03181	6.0
225.05690	2.2
225.09149	4.0
227.12198	3.6
229.09830	5.3
229.13393	5.0
237.10416	3.3
239.11943	5.3
241.05064	3.9
243.10255	9.2
251.01782	3.2
253.05133	4.9
253.09419	3.4
255.02882	5.0
255.11417	7.1
257.13095	6.1
265.09726	3.0
267.11972	2.6
269.00833	4.5
269.04660	4.1
270.01929	2.8
270.05334	4.0
273.12524	5.2
279.11411	4.5
281.13040	3.7
283.02518	5.0
284.03275	8.2
285.04037	8.7
287.09326	3.6
289.10815	6.0
293.12686	2.5
295.11032	2.3
297.04111	3.2
298.01077	3.6
299.05673	3.4
301.12042	19.8
302.12375	2.3
312.02753	3.5
313.03583	31.8
313.11798	2.5
314.03964	4.5
319.12967	24.0
320.13303	3.8
323.10312	4.0
325.12061	9.4
326.04462	3.4
327.05338	3.4
328.05951	9.8
329.06332	2.8
333.00464	2.7
342.07486	12.4
343.08231	61.9
344.05066	3.3
344.08633	6.6
355.09207	2.5
355.13174	10.0
356.13864	3.4
372.13507	2.8
373.14621	2.4
374.06442	2.6
374.15219	6.8
386.11935	2.4
388.16812	8.3
392.16525	3.0
400.12970	4.6
416.16211	21.9
425.16763	4.9
429.09650	2.9
441.05920	3.0
446.08414	4.2
464.09698	2.5
472.11655	5.8
473.12839	2.9
490.12769	6.1
499.10828	3.1
513.17688	3.7
516.10883	5.3
517.11682	4.0
531.25958	3.0
539.23071	3.9
555.18829	41.8
556.19318	8.2
557.14996	6.4
557.24207	11.7
560.09717	10.1
561.10065	2.7
581.23480	11.2
585.19885	14.4
586.20746	3.1
587.19452	18.4
588.19543	5.2
599.25061	28.4
600.25531	8.8
613.17413	8.7
625.23193	7.3
626.22754	2.8
631.18207	30.9
631.27295	3.7
632.19159	7.0
643.13666	1.9
643.24042	62.2
644.24200	14.3
657.15399	33.7
658.16028	10.9
675.26910	100.0
676.27112	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.2
59.01253	22.4
61.98699	11.5
65.00180	2.0
71.01255	11.5
71.54275	3.8
75.00729	2.1
80.04927	5.1
81.03336	4.6
83.01258	3.3
83.04906	5.0
85.02829	5.9
87.00743	12.4
89.02320	5.0
91.05380	2.3
93.03342	4.6
94.02837	2.6
94.06492	2.2
95.01230	2.9
95.04905	3.6
97.02843	4.1
98.02365	4.4
99.00768	5.2
99.04417	3.1
101.02332	7.6
105.03357	2.9
106.06538	3.4
107.01305	2.8
107.03670	3.7
108.02087	2.5
109.02853	5.3
110.02391	10.4
111.04414	11.5
112.98756	2.3
113.02345	5.0
119.04960	5.7
120.08079	7.2
121.02863	7.6
122.03679	4.2
122.06023	33.6
123.04411	6.8
124.03957	2.6
125.02332	16.9
133.02827	2.3
134.03645	9.8
134.06075	3.3
135.04427	2.7
137.02353	16.3
138.03087	3.6
139.02676	2.8
139.03822	3.0
145.02869	6.2
147.04405	15.1
147.45082	2.3
148.05177	7.0
149.02367	4.1
149.05981	4.9
150.05521	9.4
151.00281	6.8
151.03859	3.4
152.01031	6.4
152.03462	7.7
152.07060	37.0
153.01804	3.1
154.05029	3.9
159.04466	2.9
160.01619	4.1
160.03963	2.9
160.05203	2.4
161.02307	3.1
161.04585	3.4
162.05534	2.6
163.03934	7.9
165.01941	11.9
166.02618	22.1
167.03415	15.3
171.10239	3.1
172.05237	2.8
173.04533	3.0
173.05977	3.3
174.03113	3.4
174.05498	4.3
175.03851	5.6
176.01122	3.3
177.01868	6.3
178.99829	3.6
179.03403	2.1
187.07631	3.9
187.11217	2.3
189.01881	3.0
189.05453	2.7
190.05080	5.6
191.03375	5.1
191.05586	2.9
192.04221	8.3
193.01390	5.7
193.05055	13.9
194.02126	10.5
197.04488	2.7
201.05550	4.0
201.10307	7.9
209.11771	37.9
210.12090	22.1
211.03922	2.7
211.12303	5.6
213.05376	2.4
213.10265	3.2
214.06152	2.6
216.07826	2.7
217.05049	2.4
221.00839	13.1
224.03181	6.0
225.05690	2.2
225.09149	4.0
227.12198	3.6
229.09830	5.3
229.13393	5.0
237.10416	3.3
239.11943	5.3
241.05064	3.9
243.10255	9.2
251.01782	3.2
253.05133	4.9
253.09419	3.4
255.02882	5.0
255.11417	7.1
257.13095	6.1
265.09726	3.0
267.11972	2.6
269.00833	4.5
269.04660	4.1
270.01929	2.8
270.05334	4.0
273.12524	5.2
279.11411	4.5
281.13040	3.7
283.02518	5.0
284.03275	8.2
285.04037	8.7
287.09326	3.6
289.10815	6.0
293.12686	2.5
295.11032	2.3
297.04111	3.2
298.01077	3.6
299.05673	3.4
301.12042	19.8
302.12375	2.3
312.02753	3.5
313.03583	31.8
313.11798	2.5
314.03964	4.5
319.12967	24.0
320.13303	3.8
323.10312	4.0
325.12061	9.4
326.04462	3.4
327.05338	3.4
328.05951	9.8
329.06332	2.8
333.00464	2.7
342.07486	12.4
343.08231	61.9
344.05066	3.3
344.08633	6.6
355.09207	2.5
355.13174	10.0
356.13864	3.4
372.13507	2.8
373.14621	2.4
374.06442	2.6
374.15219	6.8
386.11935	2.4
388.16812	8.3
392.16525	3.0
400.12970	4.6
416.16211	21.9
425.16763	4.9
429.09650	2.9
441.05920	3.0
446.08414	4.2
464.09698	2.5
472.11655	5.8
473.12839	2.9
490.12769	6.1
499.10828	3.1
513.17688	3.7
516.10883	5.3
517.11682	4.0
531.25958	3.0
539.23071	3.9
555.18829	41.8
556.19318	8.2
557.14996	6.4
557.24207	11.7
560.09717	10.1
561.10065	2.7
581.23480	11.2
585.19885	14.4
586.20746	3.1
587.19452	18.4
588.19543	5.2
599.25061	28.4
600.25531	8.8
613.17413	8.7
625.23193	7.3
626.22754	2.8
631.18207	30.9
631.27295	3.7
632.19159	7.0
643.13666	1.9
643.24042	62.2
644.24200	14.3
657.15399	33.7
658.16028	10.9
675.26910	100.0
676.27112	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
59.01245	1.7
62.20536	0.5
64.08295	0.4
67.01764	1.0
71.01254	1.8
71.52250	0.5
71.52734	0.8
80.49243	0.5
83.04877	0.6
85.02816	10.1
85.03286	0.7
87.00748	3.8
93.03331	10.5
99.04418	0.6
109.02868	0.5
109.13911	0.5
111.04393	2.1
119.04917	5.3
127.03909	2.7
137.02361	1.3
143.04883	0.7
145.02901	0.6
155.03358	0.7
163.03929	4.1
171.02882	1.2
172.42737	0.5
173.04454	9.7
186.88168	0.5
191.05536	100.0
192.05884	3.5
211.07591	1.9
237.09088	0.5
265.08646	1.3
272.65726	0.6
283.09662	0.9
309.07861	1.0
325.33588	0.6
327.08633	7.6
337.09296	2.5
442.10733	0.5
483.12927	0.6
501.13876	1.3
675.19269	18.6
676.19360	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	675.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.5
61.98696	1.7
67.01748	1.5
68.15603	1.1
71.01247	2.4
71.54064	0.9
74.38686	1.1
77.89534	0.8
78.14020	1.0
78.94109	0.9
85.02858	1.1
87.00750	3.1
89.02356	1.0
95.01277	1.2
99.00755	2.2
101.02296	1.1
109.02857	1.5
111.00787	1.5
121.02848	3.8
123.00806	1.0
125.02356	2.3
134.03644	2.4
135.04408	1.4
137.02341	1.7
139.00304	6.3
145.02873	1.8
147.04417	1.7
149.02313	1.4
149.05983	1.7
153.01894	1.7
159.04448	1.8
161.02339	1.1
163.00220	1.3
163.03900	2.3
165.01845	2.7
166.02625	1.7
167.03419	3.8
173.02324	1.2
173.06024	2.2
174.03143	2.0
175.03883	2.6
177.01872	2.2
187.03954	3.4
187.07532	4.3
191.05594	1.9
193.05016	2.4
198.03157	1.3
200.04564	1.2
201.05519	1.7
201.09120	6.3
209.11832	1.7
211.04054	1.3
213.05421	1.0
215.07161	5.8
216.07759	2.4
217.08551	1.4
220.34909	1.0
225.01820	1.0
225.05597	1.6
226.02718	1.3
227.03432	1.2
227.07121	1.1
227.10753	1.8
240.04218	1.7
241.01137	1.0
241.05064	1.8
243.10008	1.3
245.11823	1.3
251.03703	1.1
251.06833	1.2
253.01245	1.4
253.05167	1.6
254.05637	1.4
255.03030	1.5
265.05145	1.1
267.03122	1.3
269.00903	1.8
269.04404	2.1
270.01672	1.3
271.09799	2.9
281.04486	1.2
281.07956	1.1
283.02472	2.3
284.03207	3.0
285.03970	1.9
296.03351	1.9
297.00378	1.3
298.01270	1.3
299.01880	1.0
299.05569	2.9
305.08136	1.6
309.04004	1.3
311.02289	1.7
312.02762	4.3
313.03519	7.6
314.07935	3.3
315.08884	1.3
327.05121	3.4
328.05780	2.7
342.07446	13.5
343.08344	5.2
357.04117	1.2
375.08624	1.2
449.06189	1.7
453.10065	1.2
464.09247	1.2
464.17450	1.1
473.12460	2.1
481.09378	1.8
493.12827	1.6
511.14096	1.8
517.15289	8.1
518.15161	1.4
521.12659	4.0
529.14954	2.4
536.15216	1.1
541.16132	1.2
551.16876	3.9
555.18970	4.8
557.14044	4.8
559.16034	2.4
560.09778	2.2
569.17932	4.2
585.18317	3.6
587.19250	17.7
588.19574	2.8
595.16071	3.3
613.17181	31.3
614.17395	5.0
631.18158	28.7
632.18494	4.4
639.14929	1.2
657.16144	100.0
658.16516	17.4
675.16766	5.1
675.27936	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	675.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12606	0.9
57.03327	0.9
59.01237	3.8
65.00206	2.5
67.01762	2.2
69.76890	4.2
71.01234	1.4
75.00733	1.4
81.03323	1.8
85.02818	1.4
87.00740	2.4
89.02271	1.0
93.03320	1.5
93.65150	1.1
95.01256	2.8
96.85566	0.8
96.99220	0.9
97.02876	0.9
99.00757	2.3
99.04370	1.4
106.06458	1.1
107.01266	1.5
109.02857	1.9
110.02372	1.0
111.00720	3.0
111.04397	1.8
113.02338	1.6
118.66026	0.9
120.08135	1.4
121.02848	2.1
122.05984	3.4
122.88890	0.8
123.04410	1.0
125.02339	5.3
134.03596	1.1
134.06044	1.1
135.04424	0.8
136.98680	1.6
137.02325	3.4
138.03142	1.8
139.00269	2.5
145.02846	1.0
146.03647	1.0
147.04376	7.4
148.01587	1.3
148.05142	1.1
149.02325	2.3
149.06042	1.2
150.05499	1.7
151.00255	3.0
151.03906	1.0
152.01036	1.4
152.03372	1.2
152.07031	4.1
153.01802	3.3
156.05753	1.2
159.04378	3.0
160.05225	1.0
161.02296	1.4
163.00148	1.0
163.03908	1.6
165.01822	7.7
166.02623	11.1
167.03462	5.8
167.04666	1.1
169.06506	1.7
171.08049	1.4
172.05157	3.3
173.05975	3.9
174.03168	5.0
175.03813	1.8
175.07585	1.0
176.01082	1.1
177.01898	1.1
178.99767	2.0
181.01337	3.2
183.04428	1.5
184.05167	1.0
185.06030	4.5
185.09558	1.4
186.06763	3.0
187.03879	2.1
187.07561	5.4
188.04747	1.8
189.01865	1.9
189.05412	2.2
191.03313	1.5
192.04228	1.3
193.01338	3.7
193.04958	2.1
194.02046	5.4
195.04466	1.1
196.05188	1.2
197.04333	1.5
197.06012	6.3
198.03236	1.2
198.06734	2.8
199.03903	3.2
199.07602	5.6
200.04700	1.5
201.05432	3.1
201.08945	5.8
205.01244	1.6
209.05974	1.1
209.11754	3.1
211.04051	1.6
211.07600	1.9
212.04619	1.6
213.01843	2.2
213.05496	5.2
213.08907	1.0
214.06252	7.0
215.03484	1.3
215.07048	4.7
215.10643	1.8
216.04066	1.7
216.07785	1.0
217.05054	1.2
217.08650	1.1
221.00876	6.9
223.07544	1.3
224.02951	1.1
225.05515	4.0
225.09056	3.0
226.02626	2.1
226.06400	1.1
227.03362	4.0
227.07031	2.2
227.10733	2.9
228.13358	1.2
229.13327	1.4
240.04320	2.2
241.01251	1.9
241.05081	5.2
241.08647	2.3
242.02080	2.3
242.05806	2.1
242.09288	1.2
243.02904	2.2
243.10236	13.7
244.10767	1.5
245.04436	1.9
245.07983	1.9
249.06172	1.6
253.01385	1.7
254.05840	1.2
255.02902	3.8
255.06657	2.0
255.11119	1.9
256.03607	1.2
269.00931	2.0
269.04474	2.3
269.08142	1.8
270.01593	3.9
270.05298	2.0
271.02454	2.1
271.05795	1.4
271.09714	2.7
272.03275	1.4
279.11462	1.4
283.02396	2.2
284.03256	5.1
285.01175	1.4
285.04019	8.6
286.04663	2.3
287.09512	1.8
289.10663	2.6
297.00223	2.4
297.03867	2.5
298.01331	1.1
299.01965	3.1
299.05597	2.4
299.09082	1.8
300.02856	1.5
300.06204	1.3
301.11862	2.8
312.02802	2.4
313.00040	1.4
313.03555	34.8
313.07086	3.5
314.03958	4.0
315.05258	1.2
315.08710	10.3
318.03717	1.5
319.12891	3.2
326.04541	1.2
327.01379	10.3
327.05164	4.2
328.02097	2.1
328.05823	8.7
329.03009	1.2
329.06519	3.7
331.08072	1.3
341.04895	3.0
342.03818	2.7
342.07498	6.3
343.04797	2.4
343.08243	35.6
344.05173	2.2
344.08551	3.2
357.06158	17.6
358.06815	3.5
359.07672	1.2
397.11365	3.1
416.16144	2.0
425.06454	1.0
447.66983	1.0
464.09613	7.4
472.11282	1.7
513.17480	1.2
555.18671	14.2
556.18860	2.6
560.09259	2.7
581.24292	2.8
585.19379	6.3
587.18451	1.8
599.25104	4.2
613.17377	2.3
625.23053	1.2
627.11292	1.0
629.16223	1.2
631.18073	15.9
632.18311	2.8
643.24365	9.1
657.16058	100.0
658.16333	18.5
675.25903	13.4
676.24988	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	673.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01250	11.4
61.98710	12.0
71.01257	49.0
73.02834	3.2
78.95782	1.5
81.03323	2.5
83.04907	6.2
85.02824	3.8
87.00755	5.2
89.02326	8.6
95.01248	2.0
95.04899	1.6
97.02843	4.4
97.06487	3.3
98.19771	3.9
99.00763	4.4
101.02332	12.7
109.06487	8.3
113.02325	4.0
124.75847	1.7
125.09615	3.7
136.05247	1.6
140.22067	1.4
141.15222	1.5
145.04956	2.2
147.04414	3.0
155.14354	1.8
161.04460	3.2
163.11206	10.0
165.12747	4.1
171.10194	9.6
172.05257	2.4
179.05557	1.7
181.12263	6.0
183.04306	1.8
183.13800	10.2
185.11755	2.9
193.12395	1.8
199.13329	33.8
201.09650	2.0
201.11232	10.9
207.10188	26.4
208.10565	1.8
209.11780	78.6
210.12103	6.0
211.13344	100.0
212.13684	7.1
213.14951	1.4
215.12679	2.2
225.11281	23.2
227.12852	82.6
228.13168	4.6
229.14375	2.9
235.08188	8.1
243.12259	3.5
247.13405	4.1
253.09268	14.4
253.14555	1.8
265.14349	1.9
391.25095	2.2
401.23441	7.6
419.24506	6.4
445.21060	1.9
447.21936	1.9
461.20163	4.9
463.21698	14.2
473.08502	2.4
488.11002	3.7
503.21249	1.5
567.16766	2.7
585.17737	4.9
627.14868	2.2
629.16705	7.6
637.31964	7.8
655.32837	12.3
656.34210	1.7
673.34357	23.8
674.34290	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74757	0.2
57.03310	0.4
57.95669	0.2
59.01249	2.6
61.98712	0.4
69.03336	0.2
70.42618	0.5
71.01253	1.9
72.99199	0.4
73.02809	0.6
77.70071	0.2
80.02529	0.9
81.03336	1.1
83.01240	0.5
83.04895	4.4
84.02044	0.8
85.02833	0.7
87.00758	0.7
89.02305	1.2
93.03307	0.3
95.01298	0.3
95.04893	0.7
97.02871	0.3
99.00789	0.4
101.02343	1.4
107.51105	0.3
108.74937	0.2
113.02322	1.1
124.01537	0.9
125.02332	2.7
125.05989	0.3
134.03638	3.2
135.08058	0.5
137.02379	0.5
147.04453	0.7
149.99461	0.8
156.61464	0.3
160.01541	0.3
161.00618	0.2
161.04485	0.7
161.06027	0.5
163.11185	3.4
164.11531	0.3
165.12770	2.1
168.00540	2.6
169.01303	0.5
171.10181	2.2
174.02991	0.2
175.03946	0.5
181.12337	0.5
185.11850	0.2
191.10736	0.9
192.04231	0.4
193.04982	3.1
194.05206	0.3
209.11772	100.0
210.12102	5.9
211.13330	0.4
219.16537	0.2
221.11737	0.3
227.12843	12.7
228.13185	0.7
235.08182	1.4
247.13400	1.3
249.15114	0.3
253.09256	5.8
253.11859	0.3
265.14499	0.4
273.71582	0.2
313.03412	0.3
314.03860	0.3
328.05667	0.3
343.08145	1.1
344.08829	0.3
347.02814	0.2
401.23480	0.5
419.24652	0.3
424.42380	0.3
437.25534	0.2
445.20670	0.7
585.17731	0.6
629.16650	0.6
637.33051	0.6
655.33234	0.4
673.15881	0.5
673.34564	4.8
674.34100	0.4
688.51398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03929	0.9
55.01746	1.2
57.03326	7.9
59.01255	85.6
60.45507	1.3
69.33011	3.8
69.33443	5.3
71.01257	33.2
71.04871	3.6
72.99166	1.1
73.02515	0.9
73.02824	10.3
83.01237	3.2
83.04884	2.1
85.02827	16.0
87.00762	9.0
89.02295	3.3
93.03299	1.9
95.01231	2.5
97.06455	2.0
99.00257	1.0
99.00769	10.5
99.04393	1.2
101.02326	13.4
102.99606	1.0
105.06941	1.4
107.04897	3.5
108.02052	6.1
109.02866	6.8
111.04407	1.1
113.02336	12.2
113.93609	1.1
116.80613	1.0
120.05682	2.1
123.04402	1.3
131.08643	1.2
134.03603	1.7
135.04385	3.4
147.04405	1.2
149.05966	1.7
152.01094	7.5
153.01826	2.1
159.02853	2.7
161.04478	16.7
161.09642	10.5
161.13310	5.5
163.11201	7.2
187.11208	18.7
189.09175	5.5
191.05544	2.0
193.04927	3.1
202.02620	4.0
205.12315	8.2
207.10207	9.3
209.11772	9.9
223.13368	33.9
223.18117	1.3
224.13599	1.6
227.12750	3.0
249.09088	1.4
249.11328	19.5
261.41382	1.1
267.12405	17.9
268.12677	1.2
291.10791	3.3
341.01477	1.2
343.07983	3.6
405.14157	1.9
423.15088	65.3
424.15631	6.6
488.11102	1.4
527.13324	1.1
586.16162	1.2
629.16077	3.3
655.25677	1.5
673.17267	4.4
673.26794	100.0
674.16626	2.0
674.27124	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03311	0.6
57.37922	0.4
59.01252	5.4
59.68279	0.3
69.03352	0.3
69.73428	0.3
71.01256	4.0
73.02825	1.4
77.23063	0.4
79.60657	0.3
83.01240	0.4
83.04900	0.5
85.02823	1.9
87.00751	2.2
89.02319	2.4
95.01277	0.4
97.02853	0.4
97.06439	0.5
98.20584	0.6
101.02309	3.2
109.02833	1.0
111.08048	1.0
113.02332	2.0
115.36033	0.3
119.03351	0.4
119.04877	0.4
125.02305	0.5
133.05002	0.4
135.04399	2.5
137.02388	0.3
145.04979	0.4
147.04413	1.0
161.04478	1.1
163.00308	0.4
163.03964	0.5
165.12756	8.9
166.13202	0.3
183.13823	100.0
184.14169	5.7
191.10574	0.3
194.28310	0.3
201.05411	0.5
209.11769	5.0
211.13365	1.3
212.13754	0.4
225.11258	0.4
227.12839	5.7
230.30212	0.3
235.08194	1.6
241.08705	0.4
253.09221	2.5
272.83173	0.3
301.10651	1.8
302.11469	0.3
328.05832	0.7
343.08109	0.4
372.74374	0.3
445.20758	2.1
463.21826	5.4
464.22299	0.5
488.11169	0.6
511.29053	0.7
553.20721	0.7
576.40729	0.3
611.35046	0.4
629.16626	0.9
629.35443	6.4
630.35480	1.1
655.33423	4.1
656.33685	0.8
673.34357	60.7
674.23291	0.8
674.34723	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	673.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
55.28644	0.8
57.03322	5.7
59.01250	66.1
59.39622	0.8
65.03821	0.7
67.51248	0.8
71.01256	27.9
71.04884	1.7
72.99191	1.0
73.02814	9.1
83.01249	3.1
83.04887	1.9
85.02822	11.7
87.00756	5.0
89.02318	4.6
95.01250	2.0
97.06461	1.5
99.00163	1.1
99.00753	9.9
101.02322	12.8
107.04883	3.3
108.02057	1.2
109.02824	1.1
113.02332	13.2
120.05650	1.6
120.87305	0.8
121.02856	1.0
125.02328	1.3
127.32553	0.7
131.03354	1.0
134.03609	1.4
135.04404	2.2
137.02324	1.7
143.03456	1.8
147.06497	2.2
151.03894	1.6
159.02844	2.1
161.04468	16.4
161.09621	9.0
161.13269	4.2
163.03902	1.1
163.11182	5.4
166.17699	0.7
187.11198	11.8
189.09154	5.0
191.05605	1.2
193.04903	2.2
205.12238	7.2
207.10207	7.7
209.11676	3.2
223.13353	32.1
224.13780	1.7
227.12860	1.5
229.29349	0.8
247.09126	1.0
249.11320	17.3
250.11563	0.9
267.12363	13.4
268.12531	1.2
270.01343	1.0
271.02396	2.2
272.02805	1.4
287.09097	2.1
291.10757	2.1
299.01834	2.3
300.02213	3.1
301.02499	1.4
313.03442	2.7
314.03979	3.8
315.04236	1.2
328.05792	0.9
329.06442	2.8
330.06836	3.9
331.07236	3.2
343.04245	0.9
343.07956	3.8
344.08542	4.3
345.08881	2.2
353.10406	1.0
405.13559	1.2
423.15079	69.6
424.15390	6.8
629.15845	1.8
655.25684	1.7
673.14996	10.2
673.26892	100.0
674.15833	1.4
674.27203	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.8
59.01250	53.5
61.98695	2.3
71.01256	22.0
71.04890	2.6
71.15500	0.7
71.43703	0.6
72.99146	1.0
73.02812	6.5
75.00797	0.7
83.01254	2.4
83.04895	2.6
85.02820	8.6
87.00761	3.2
89.02314	3.1
95.01254	1.4
97.02825	0.9
97.06427	0.7
99.00763	7.5
101.02325	10.6
107.04891	2.8
108.51226	0.7
109.02800	0.9
111.00771	0.7
113.02326	11.2
114.66980	0.8
120.05696	1.5
122.03565	0.7
123.77620	0.7
125.02324	2.1
125.05946	0.6
131.03398	0.7
135.04453	1.8
143.03386	1.5
144.11740	0.7
147.04376	0.9
147.06506	2.1
159.02866	1.6
161.03221	1.0
161.04463	13.9
161.09596	6.7
161.13251	4.2
163.11200	6.0
187.11191	8.2
189.09143	3.1
191.05415	0.7
193.04988	0.9
201.05536	0.8
202.06360	0.9
203.10568	1.0
205.12271	7.8
207.10228	6.3
209.11771	29.0
210.12070	1.7
213.09097	0.8
223.13351	23.5
224.13673	1.9
227.12839	5.0
249.11304	12.9
253.09215	1.2
267.12354	11.7
268.12561	0.8
287.09131	2.7
291.10812	2.4
313.03580	1.5
343.08295	1.7
405.13882	1.3
423.15051	52.8
424.15430	4.9
445.20822	0.8
542.33771	0.8
629.16510	7.8
630.16711	1.7
655.25928	1.9
673.27081	100.0
674.27435	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01262	5.5
61.98699	1.3
70.73354	1.9
71.01269	2.6
72.99187	1.2
73.02824	1.0
75.00764	1.1
78.68155	0.6
83.01301	0.6
85.02831	1.6
87.00757	2.5
89.02338	1.5
93.03368	1.5
97.02797	0.6
99.00774	0.9
100.02311	0.6
101.02341	2.2
108.02051	2.1
109.02836	1.8
113.02364	1.4
117.03352	1.2
119.04942	1.1
121.02851	1.1
122.03725	0.6
123.04371	1.2
129.01903	0.7
134.03641	12.3
135.04402	2.7
137.02330	1.9
145.02852	1.4
147.04431	2.6
149.02368	0.6
149.06000	2.4
150.06763	0.7
151.00316	1.1
151.03963	0.7
152.01048	1.6
153.01826	1.1
158.03654	13.6
159.04391	2.6
160.01567	1.3
161.02364	1.9
163.03879	0.8
165.03966	2.3
165.05331	0.6
170.01843	0.6
171.04462	1.7
173.04533	1.4
173.06001	1.9
175.03925	3.6
177.01939	0.7
178.02693	1.3
178.99803	0.7
179.03348	1.5
184.05234	3.2
185.06033	3.4
187.03825	0.8
189.01657	0.7
191.03476	1.0
191.05521	1.3
193.04987	15.5
193.06743	0.8
194.05249	0.8
201.05576	2.0
202.02664	100.0
203.03110	7.6
209.11790	10.4
213.05522	15.3
214.05885	1.7
223.13408	1.9
224.48407	0.6
227.03429	3.2
227.12831	1.6
241.04912	0.8
255.03044	1.1
257.04514	1.3
265.07108	1.0
267.74429	0.6
311.05829	1.2
313.03473	2.0
325.09314	0.9
342.07419	1.1
343.08185	1.5
347.07379	0.8
423.14835	1.0
479.11908	2.8
497.13110	10.3
498.13162	1.4
511.36203	1.7
597.23608	1.0
601.16681	1.0
627.15802	0.8
629.16797	2.9
655.10828	1.2
672.33307	1.0
673.17603	56.1
673.25830	2.4
674.18036	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	673.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88658	2.0
52.78304	1.8
57.03312	2.2
59.01244	17.1
69.03340	1.9
69.67729	3.5
69.68139	6.6
70.13463	1.7
71.01260	11.3
72.99171	2.4
73.02800	2.9
75.00726	2.4
83.04901	2.6
85.02821	32.2
87.00745	12.4
89.02328	6.1
91.05409	2.2
93.03339	4.5
95.04908	2.8
99.00766	4.7
101.02333	7.9
109.02871	1.9
111.00775	9.4
113.02343	4.4
113.40691	1.9
119.03426	2.0
119.04901	4.4
121.02811	4.7
122.03616	4.5
122.05989	7.2
123.04346	2.9
125.02335	3.2
127.05464	4.3
128.01065	13.9
129.01828	14.1
134.03682	3.9
135.04416	2.9
136.07536	3.5
137.02336	10.3
139.03880	2.6
142.67227	1.9
143.04892	2.2
145.02791	2.5
145.06496	8.2
146.03676	4.8
147.04388	15.7
148.05154	4.2
149.05968	5.1
152.07092	6.5
158.03650	6.1
159.04410	5.7
160.01595	2.8
161.02341	3.7
161.04454	2.4
161.05824	2.6
162.06786	3.1
163.03876	3.4
163.11212	3.5
165.03897	2.5
165.12746	3.5
171.04399	3.1
172.05240	3.5
173.04695	2.2
173.06006	44.2
173.11711	2.0
174.03160	5.7
174.06570	4.4
175.03877	5.3
175.07553	7.0
177.01857	2.4
179.03403	3.0
183.04396	4.8
184.05141	2.1
185.05974	3.9
186.06818	11.9
187.03935	32.0
187.07539	5.9
188.04427	3.9
189.01846	3.2
189.09096	2.2
190.02620	4.8
191.03404	3.4
192.04164	4.5
193.04987	6.1
196.05249	3.3
197.06081	2.4
199.07587	5.5
199.11514	2.6
199.13304	7.9
200.04602	3.4
200.08577	2.1
201.05511	82.9
202.06287	57.6
203.06923	8.9
209.09866	1.7
209.11761	51.4
211.03952	7.3
211.07600	2.2
211.13367	3.2
212.04681	8.2
213.05524	5.6
213.09122	6.0
214.06281	17.4
215.03442	3.2
215.06859	3.1
215.10744	18.2
217.04976	4.9
219.02835	3.7
223.07750	2.2
225.02019	3.4
225.09189	5.6
225.11209	2.5
226.02644	4.1
226.06303	2.7
227.03375	2.7
227.06927	2.9
227.12856	42.2
239.07114	3.8
241.05002	8.4
241.08662	22.7
242.02052	2.7
242.09233	2.8
243.02991	5.3
243.10243	47.5
244.10612	2.6
247.06094	14.8
253.09248	5.4
257.08197	3.5
257.12964	11.1
259.09653	4.0
267.06949	3.4
268.03528	4.1
269.00964	2.5
269.08154	4.3
269.12454	2.2
270.01590	3.6
283.02792	3.3
283.06128	8.0
284.03229	3.7
284.06790	2.6
285.04102	6.7
285.07669	15.0
285.12372	3.0
286.08292	4.3
287.09259	48.5
288.09558	2.7
298.01221	3.4
299.01877	4.9
299.05576	3.7
301.11401	2.9
311.05618	2.3
312.02771	9.6
313.03647	26.4
313.07199	5.0
314.03967	4.2
315.04358	2.3
327.04977	10.5
328.05893	11.4
329.06534	4.5
331.08130	8.1
341.17569	2.4
342.07404	27.6
343.08194	55.6
344.08557	6.1
359.28052	10.5
360.28180	11.9
361.28528	3.8
373.16513	3.2
473.08606	5.5
487.10266	6.3
488.11044	7.8
531.09454	2.4
532.10114	7.4
557.17920	3.9
565.24139	6.3
567.16785	7.0
571.13049	2.1
585.17682	17.2
597.23828	2.9
599.11517	4.7
601.16980	2.4
609.23401	4.2
627.14868	5.2
629.16614	100.0
629.26996	5.2
630.16858	21.6
641.25952	9.1
672.37225	3.7
673.14966	29.9
673.26398	4.2
673.35370	3.9
674.15454	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	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87630	0.4
57.03310	0.8
59.01246	2.0
61.98701	1.3
69.03341	0.9
71.01256	2.1
73.02814	0.8
75.00774	0.4
81.03338	1.5
85.02824	3.5
87.00748	3.1
93.03332	1.0
95.01239	1.9
99.00760	0.7
99.03143	0.4
101.02332	1.0
108.02057	54.6
109.02850	32.6
110.03165	0.9
113.02350	0.8
119.04929	0.6
121.02831	1.6
123.00800	1.3
123.04414	1.1
124.99969	0.4
125.09609	0.9
127.11237	0.7
133.02824	0.5
134.03645	2.3
135.00737	0.6
135.04388	0.4
137.02332	0.6
137.09663	0.5
145.03018	0.5
147.04430	1.3
148.05261	0.4
149.02351	0.6
149.05899	0.5
151.03918	1.1
152.01068	55.0
153.01851	15.6
153.09140	0.5
154.02220	0.5
155.10760	0.5
160.01492	0.4
163.03899	1.6
165.01884	0.7
171.10211	2.6
175.03954	0.4
187.04073	0.6
188.04817	0.5
191.05431	0.5
193.04993	3.6
194.05414	0.6
209.11786	2.0
211.13594	0.4
219.02927	0.4
223.06116	0.5
225.11226	0.9
243.02837	0.4
248.65710	0.4
267.06848	0.6
277.47028	0.4
313.03207	0.6
318.42569	0.5
329.06631	0.6
343.07794	0.8
355.24878	0.6
373.25949	17.3
374.26266	2.1
435.07190	0.9
458.49634	0.4
465.17679	1.4
626.55701	0.5
671.32819	100.0
672.33185	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	671.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	3.6
61.98703	15.2
69.03329	0.9
71.01254	2.0
78.60300	0.7
85.02837	1.2
87.00763	5.5
93.03355	2.7
94.65498	0.6
98.20665	1.2
98.30937	0.6
99.00791	0.9
106.71947	0.7
108.02089	2.3
109.02845	1.8
113.02303	1.0
116.99390	0.7
117.03397	0.7
119.04912	0.8
121.02867	1.4
123.04385	1.2
124.49210	0.7
134.03644	2.8
137.02316	4.3
143.60529	0.7
145.02849	0.9
147.04407	1.3
149.02327	1.5
149.05916	1.3
149.59558	0.7
151.00211	0.7
152.01036	2.1
153.01700	0.6
155.04834	0.8
161.02414	1.0
163.03906	1.8
175.03815	1.7
183.04414	1.0
183.08130	0.7
186.03134	1.1
187.03960	1.4
187.07581	0.7
191.05515	0.9
193.04936	3.6
197.02457	0.8
198.03070	1.2
199.03885	2.6
201.01935	0.9
203.03484	1.1
204.25050	0.8
209.11806	1.0
210.03149	0.9
211.03886	2.3
213.01923	1.1
214.02621	1.2
215.03447	1.5
215.07065	0.8
225.01981	1.4
225.05565	1.9
226.02643	4.2
227.03435	7.5
229.01358	3.1
231.03014	1.0
240.04121	1.2
241.01410	0.8
241.04970	1.0
242.02161	4.5
243.02956	4.6
253.01428	1.5
254.02100	3.0
255.03000	4.5
267.02737	0.8
267.06934	1.3
270.01682	10.2
271.02463	37.2
272.02789	3.4
280.62888	0.7
281.00854	1.9
283.02469	4.1
284.03217	1.9
285.04007	13.8
286.04483	1.8
297.00534	1.5
297.03989	3.2
298.01178	4.8
299.01974	70.1
300.02341	5.9
312.02710	1.8
313.03534	64.2
314.04266	30.7
315.04449	3.4
327.05084	6.3
328.05872	24.6
328.09775	1.5
329.06650	93.3
330.07025	8.4
342.07504	1.3
343.08203	88.8
344.08572	8.6
465.17590	2.2
522.33862	1.4
641.09625	1.2
656.11108	2.4
670.36664	2.3
671.14026	100.0
671.32544	3.1
672.14404	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	671.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03328	1.1
59.01255	11.8
68.99681	0.4
69.03316	0.6
69.52744	0.5
69.53149	1.9
71.01258	3.0
72.99181	1.3
73.02823	1.3
81.03312	0.5
83.01257	0.6
83.04893	0.5
85.02827	2.8
87.00761	1.9
89.02338	1.0
93.03363	0.8
95.01291	1.7
96.95877	0.5
97.02844	0.8
98.50001	0.3
99.00756	1.5
99.04407	1.0
101.02319	1.5
107.01277	0.4
107.04987	0.4
108.02058	51.3
109.02872	10.6
113.02335	1.2
119.04916	0.7
119.08601	0.6
121.02841	1.2
123.00778	1.3
123.04408	0.8
125.02322	0.9
129.22836	0.3
133.02922	0.4
134.03667	1.8
135.04407	1.1
137.02367	1.1
137.09641	2.3
139.03960	0.4
145.02924	0.5
149.02327	0.8
149.05977	0.7
150.03195	0.4
151.00269	0.5
151.03931	1.3
152.01067	100.0
153.01808	6.0
161.04485	1.1
161.09613	0.5
163.03911	4.6
163.07608	0.5
164.04463	0.4
165.05492	0.8
173.04506	0.6
175.03960	0.9
177.01839	1.0
179.03392	0.8
179.10713	1.3
181.08641	2.1
187.03976	0.5
191.03455	0.5
191.05550	0.9
193.04974	1.8
197.11768	3.5
205.05112	0.5
207.02811	1.1
208.99332	0.4
217.04909	0.4
219.03018	0.6
223.06131	0.5
241.10806	1.2
271.08224	0.4
313.03378	0.4
315.07248	2.0
316.07553	0.4
371.06256	0.3
376.07480	0.5
403.12524	0.4
429.10370	10.3
430.10599	0.9
447.11386	7.0
448.11896	1.0
509.14514	0.7
609.21857	1.2
611.20422	1.6
627.23047	3.8
628.22491	0.6
653.20453	1.0
671.21954	86.7
672.22308	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	671.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
68.93225	0.4
69.25351	0.4
69.26194	4.3
69.26542	0.7
87.00739	0.6
89.39854	0.4
98.20537	0.9
102.52104	0.5
105.06450	0.4
109.30341	0.4
121.02860	0.6
130.17793	0.4
137.02330	0.6
140.54369	0.5
149.02432	0.6
163.00288	0.9
193.50710	0.4
197.02429	0.6
199.04013	0.5
201.01900	0.6
204.07759	0.5
211.03853	0.4
213.01834	0.8
213.05533	0.6
215.03351	0.4
225.01926	0.7
225.05394	0.7
226.02623	1.8
227.03404	1.4
229.01308	1.3
230.02074	0.5
239.03233	0.5
242.02145	1.8
243.02892	0.7
253.01396	0.7
254.02007	1.0
255.02893	0.5
269.00894	1.3
269.04456	0.5
270.01724	4.7
271.02441	3.8
281.00925	0.5
282.01474	0.8
283.02533	1.4
284.03168	0.8
285.04034	8.5
286.04453	0.6
297.00708	1.0
297.03976	2.2
298.01218	2.3
299.01990	9.4
299.05338	1.2
300.02423	0.8
312.02585	0.7
313.03531	35.4
314.04117	6.2
327.05209	3.4
328.05890	15.5
329.06613	9.5
333.03925	0.6
343.08215	35.3
344.08389	3.1
349.03427	0.8
361.03766	0.6
377.02936	4.4
378.02826	0.6
405.02484	5.9
406.03088	1.1
418.03241	0.6
419.03998	1.7
420.04721	1.2
435.07233	2.5
437.09082	0.5
449.08557	0.6
463.06442	0.7
464.07504	1.3
511.08139	0.5
567.05170	0.6
609.06433	0.6
613.10022	0.7
639.11023	1.2
640.11243	0.6
641.09198	2.2
656.11365	2.8
657.11761	0.7
671.14075	100.0
672.14386	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
61.98708	1.3
65.00205	1.3
69.28481	1.5
69.28896	4.6
71.01254	2.1
78.05267	0.6
78.05723	0.6
78.95788	0.8
85.02839	1.0
87.00749	4.6
89.02303	1.7
93.03326	1.0
99.00765	1.5
101.02338	0.8
108.02045	1.5
108.04452	1.2
109.02850	2.9
109.06482	1.0
113.02341	1.3
119.04906	1.3
121.02837	1.6
123.04451	0.6
125.02337	2.1
134.03635	2.0
136.07587	2.3
137.02319	2.8
147.04427	2.9
149.02354	0.7
149.06006	1.0
149.99449	0.8
151.00244	1.9
153.01804	0.9
159.04414	0.7
159.60114	0.6
161.02357	1.1
163.00317	1.2
163.03888	1.3
164.04732	1.3
169.02873	1.1
170.03629	0.8
171.10184	0.9
173.04497	0.7
173.06035	0.8
175.00296	0.8
177.01855	1.8
185.02396	0.8
187.03828	1.1
189.09126	0.7
191.05453	1.0
193.05000	2.6
197.02370	2.2
198.03117	1.5
199.03931	1.8
201.01865	1.6
201.05533	0.8
203.03427	0.6
207.10118	3.5
209.11784	5.4
210.03120	0.8
211.03915	2.2
211.13232	1.0
213.01830	1.3
213.05574	0.8
213.60396	0.7
214.02582	1.0
215.03325	1.1
218.02112	0.9
221.89264	0.6
223.06133	1.6
225.01900	2.1
225.05482	0.8
225.11217	3.9
226.02634	3.2
227.03441	5.4
227.12788	1.5
229.01413	2.3
230.02094	1.3
231.02840	0.9
239.03340	1.1
241.01430	1.0
241.09924	1.3
242.02182	2.1
243.02858	3.2
253.01367	2.0
253.09122	0.9
254.02158	2.3
255.02983	5.4
257.12924	6.9
262.53873	0.7
269.00833	3.0
269.04388	0.7
270.01669	5.4
271.02454	25.0
272.02774	2.0
281.00900	1.2
282.01495	1.8
283.02399	6.8
284.03119	2.7
285.04077	8.5
297.00430	3.2
297.03854	1.2
298.01083	3.0
298.04520	1.1
299.01965	48.4
299.05188	1.9
300.02298	3.3
301.11768	1.8
312.02652	2.0
313.03540	29.7
313.06894	1.0
314.04245	19.1
315.04785	2.0
315.13538	2.7
327.01437	1.7
327.05118	3.9
328.05804	9.8
329.06650	61.5
330.07074	4.4
343.04776	0.9
343.08203	24.3
344.08582	1.8
348.02414	0.8
357.06006	1.5
361.03613	0.8
376.02109	1.5
391.04477	2.3
417.02615	0.8
419.04041	15.8
420.04633	1.3
421.16833	0.9
433.05322	1.0
434.06281	2.3
445.01962	3.1
446.03210	0.9
448.07877	1.0
449.08765	20.4
450.09296	3.1
459.03458	0.8
475.06769	4.7
496.64178	0.7
595.05670	1.7
611.03912	1.1
613.09918	0.9
625.09802	1.0
641.09412	3.3
643.14581	1.3
653.31720	1.5
656.11823	2.9
671.14056	100.0
671.30408	7.0
672.14380	17.7
672.25360	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	671.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44591	0.7
54.04697	0.8
59.01252	6.5
59.30198	0.7
60.39771	0.7
61.98683	1.2
65.00189	0.8
69.36338	6.9
71.01251	3.6
73.02819	1.1
75.00741	1.8
83.01280	0.8
85.02827	1.8
87.00768	6.3
89.02290	1.6
89.45861	0.7
95.01249	1.4
95.04926	1.1
97.02824	1.1
98.19794	1.1
99.00743	0.9
101.02320	2.1
108.02055	2.1
109.02799	1.2
111.00784	1.0
113.02329	1.8
119.04900	1.0
121.02863	1.8
122.03622	1.6
123.04425	1.2
125.02302	1.0
130.99805	1.2
134.03639	0.8
135.00836	1.5
135.04332	0.8
137.02327	3.0
141.09006	0.8
145.02837	0.8
146.03645	1.2
147.04410	5.0
148.05069	1.0
149.02321	1.0
151.00337	4.6
151.01378	0.8
151.03906	1.0
152.01091	1.3
153.01930	0.9
159.04401	1.0
161.02370	1.5
161.04408	0.9
163.00275	3.1
163.03911	2.0
163.11221	1.4
165.01912	1.4
165.03931	2.4
171.10240	1.0
173.02365	1.1
173.05925	1.0
175.03931	1.7
175.07687	0.8
177.01895	1.5
179.05530	1.0
185.02362	1.1
187.03906	0.8
189.01775	1.1
192.04108	1.4
193.04951	1.8
197.02397	1.4
198.03104	1.8
199.03995	2.1
201.01967	1.9
202.02614	1.0
203.03528	0.9
207.10243	4.0
209.11748	9.2
210.03214	2.6
211.03918	1.6
211.13301	1.2
212.04593	0.8
213.01881	3.3
214.02565	2.1
215.03389	1.5
215.07204	0.8
217.01439	0.9
217.08624	0.8
218.01999	0.9
225.01863	2.5
225.05482	1.7
225.11263	7.7
226.02707	4.3
227.03413	4.9
227.12856	1.1
229.01428	1.9
231.02943	0.8
235.08116	0.8
239.03558	1.1
241.01483	3.1
242.02087	6.1
243.02905	3.0
253.01338	2.3
253.09145	0.9
254.02084	4.2
255.02942	3.1
255.06554	0.9
267.03198	0.9
267.06873	0.9
268.03528	0.8
269.00827	3.2
269.04608	1.2
270.01669	11.2
271.02469	28.8
272.02829	2.9
281.00922	2.3
282.01617	1.7
283.02591	4.7
283.05139	0.8
284.03256	2.9
285.04016	16.0
286.04465	1.4
297.00516	2.4
297.04013	5.7
298.01321	4.6
299.02005	50.8
299.05475	4.9
300.02264	4.5
300.05640	0.8
301.03619	1.4
312.02844	4.0
312.06140	1.1
313.03531	72.4
314.04169	18.8
314.07919	1.4
315.04819	2.1
327.05148	6.3
327.08551	1.4
328.02325	0.7
328.05814	24.5
329.06638	41.8
330.06915	4.0
342.07343	2.7
343.08203	100.0
344.08603	9.7
347.20056	1.0
359.27969	2.4
417.22827	1.0
461.20370	2.1
475.47708	0.9
611.04932	1.0
639.21045	2.6
641.09253	2.6
653.31305	1.7
656.11639	3.4
671.14050	98.6
671.32532	4.4
672.14392	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	671.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.1
61.98686	1.2
65.00199	1.0
65.04754	0.6
71.01251	4.3
71.54754	1.4
73.02822	1.1
75.00768	0.9
77.66302	0.7
85.02826	2.4
87.00748	7.8
89.02305	1.5
93.03335	1.5
95.01250	1.3
99.00719	1.9
100.85895	0.7
101.02303	2.2
102.58871	0.7
107.01279	0.9
109.02835	1.2
109.06450	2.4
113.02306	2.9
119.04887	1.6
121.02822	3.5
123.04385	4.0
125.02319	0.8
130.99745	2.1
134.03587	2.5
135.04393	1.6
137.02322	2.6
143.14645	0.7
145.02820	1.2
147.04408	5.7
148.05107	1.6
149.02344	12.9
149.05933	1.7
150.02710	0.7
151.00276	5.2
159.04369	1.0
161.02330	1.7
161.04440	1.3
163.00247	1.2
163.03867	1.7
163.11147	1.9
164.04704	10.5
165.05421	0.8
174.03046	0.9
175.00241	1.9
175.03903	1.5
177.01831	1.3
179.07024	1.4
183.04361	1.6
185.02406	1.5
186.03145	0.8
187.03882	1.8
187.07535	1.1
190.02614	3.2
191.03168	1.7
192.04111	1.9
193.04984	3.1
197.02345	2.2
198.03140	1.8
199.03844	1.0
201.01852	2.5
203.03500	1.0
205.04970	3.5
207.10207	6.0
209.11797	11.5
210.03120	1.6
211.03902	1.5
211.13141	1.9
213.01817	3.1
214.02594	1.5
215.03497	1.4
217.01326	1.3
223.06058	16.5
224.06400	1.0
225.01869	3.0
225.05438	1.2
225.11314	3.8
226.02681	4.2
227.03482	4.9
227.12756	2.0
228.04044	1.0
229.01340	3.7
230.02074	1.5
231.02800	1.4
235.08095	0.8
238.02669	0.9
239.03441	1.5
240.04167	1.4
241.01424	3.4
241.04907	1.7
242.02193	4.8
243.02856	3.6
245.04449	1.2
251.09134	0.9
253.01387	3.2
253.09233	1.4
254.02025	3.5
255.02806	4.2
255.05145	4.8
256.03534	1.1
265.07196	2.7
269.00903	4.2
269.03946	0.8
270.01691	7.4
271.02454	28.3
272.02805	2.8
281.00848	2.1
281.04431	0.9
282.01492	1.3
283.02444	6.7
284.03214	3.5
285.04062	11.9
286.04388	1.2
295.08270	3.8
296.02945	0.9
297.00403	4.7
297.04016	4.4
298.01074	4.4
298.04471	2.0
299.01962	56.3
299.05310	3.4
300.02481	3.8
311.02057	0.9
312.02698	3.2
313.03519	52.9
314.04211	19.4
314.07681	1.3
315.04434	1.6
315.16080	0.8
318.03513	0.8
327.01529	1.5
327.05084	5.1
328.02103	1.3
328.05865	17.6
328.09409	0.7
328.66235	0.8
329.06653	59.5
330.07037	6.4
336.33102	0.8
337.09482	1.1
342.07254	2.6
343.08203	60.1
344.08591	5.8
355.10492	1.7
357.06085	1.5
397.11414	3.7
404.04651	1.2
405.04709	0.9
417.22781	0.9
461.20325	1.4
519.47137	0.9
592.44263	0.8
611.22284	1.0
635.30286	0.9
641.09778	3.4
653.31134	1.9
656.11981	4.7
657.87573	0.8
671.14069	100.0
671.32709	3.9
672.14392	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	669.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75649	1.0
57.03333	1.0
59.01255	13.6
61.98687	2.4
68.94155	0.9
69.03342	2.7
71.01251	8.9
71.09086	1.8
72.99173	0.9
73.02832	2.5
83.01267	1.4
83.04902	1.7
85.02821	3.2
85.06483	1.1
87.00761	6.6
88.98679	1.1
89.02313	5.6
91.05374	1.0
95.04954	1.4
97.06455	1.3
100.58395	1.0
101.02336	6.8
109.06473	1.3
111.08029	1.3
113.02322	2.9
119.03351	2.0
121.02872	1.3
121.13325	0.9
125.02283	1.1
125.09529	0.9
125.82485	1.0
130.99786	1.7
134.03615	1.0
137.02351	2.0
139.03758	0.9
145.04973	1.0
146.03693	1.0
147.04437	7.8
148.05203	1.4
159.04370	1.4
161.04475	2.3
163.11206	1.2
165.12758	10.2
167.10663	3.5
171.10225	1.2
172.05191	0.9
177.12779	1.3
179.10797	1.2
179.14383	4.5
183.13834	100.0
184.14186	4.8
187.07600	2.3
191.03378	2.6
192.04205	2.8
193.04822	1.4
195.13876	9.7
197.15460	1.0
198.67557	0.8
199.07590	1.2
201.09181	2.8
202.06302	1.2
204.68022	1.1
205.12291	8.1
207.10229	1.1
209.11761	8.9
211.13408	3.1
215.07103	1.7
223.13353	72.8
224.13660	3.7
227.12881	7.7
229.08438	1.2
235.08331	3.3
243.10210	2.2
244.10867	1.3
245.08290	1.3
253.09296	8.0
310.88538	1.0
360.93103	1.0
441.21140	1.2
445.20804	2.6
459.22589	5.2
463.22031	4.5
572.16766	1.4
669.34961	97.5
670.35443	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	669.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
58.00470	0.5
59.00954	0.4
59.01252	7.9
61.98701	4.8
68.99680	0.4
69.03313	1.2
71.01256	4.8
71.04886	0.7
71.53333	0.3
71.53786	0.3
72.99170	0.5
73.02807	1.0
80.02546	0.9
81.03329	1.2
83.01247	0.8
83.04894	5.3
84.02027	0.6
85.02814	1.3
85.06442	0.3
87.00755	6.1
89.02321	2.9
91.05408	0.5
93.03312	0.7
95.01229	0.3
95.04900	1.4
97.02826	0.6
97.06454	0.7
99.00745	0.7
101.02319	3.3
105.03318	0.7
108.02036	0.5
109.06516	0.4
111.08053	0.4
113.02312	2.1
119.03329	0.6
119.04892	0.9
120.18660	0.4
121.02876	1.5
122.03698	0.3
123.04353	0.4
125.06035	0.5
125.09632	0.4
130.99753	1.2
134.03613	0.6
135.04405	0.4
135.08084	0.6
137.02335	2.0
139.03934	0.4
143.03380	0.5
145.02844	0.5
146.03648	0.4
147.04425	5.6
148.05244	1.5
149.06030	0.7
159.04385	0.9
161.02289	0.4
161.04419	1.6
163.03926	0.7
163.11217	3.1
165.12782	2.6
167.10698	1.7
168.11008	0.3
169.12294	0.7
171.04425	0.3
171.10204	3.0
172.05174	0.9
173.06044	0.9
175.03958	0.6
175.07520	0.7
177.12779	0.3
179.05716	0.3
179.10683	0.6
179.14305	1.9
181.12227	0.8
185.06027	1.1
186.06863	0.5
187.03983	0.3
187.07526	0.8
191.03429	1.3
191.10675	1.0
192.04268	1.6
193.04958	1.3
195.13852	6.4
197.06017	0.6
197.11862	0.5
199.07628	0.5
200.04594	0.4
201.05521	0.5
201.09029	1.4
202.06325	0.5
203.07050	0.4
205.10541	0.6
205.12291	6.7
207.10204	0.5
209.11769	100.0
210.12132	6.1
211.13274	1.8
212.13820	0.6
213.05591	0.3
214.06366	0.6
215.07069	1.6
215.10655	0.4
216.07806	0.5
218.02104	0.7
223.13347	66.5
224.13666	4.0
225.09253	0.4
227.12833	15.0
228.13190	0.7
229.08655	0.9
231.06604	0.3
235.08160	3.7
236.08658	0.3
243.10176	1.2
244.10785	0.6
245.08125	0.7
253.09274	10.4
253.11925	0.6
254.09818	0.6
261.15018	1.5
266.49121	0.3
288.10074	0.3
294.86801	0.3
297.14960	1.1
321.15268	0.4
339.16095	0.5
357.17209	0.4
415.25070	0.5
433.25845	0.6
441.21466	0.5
445.21027	1.1
446.20114	0.4
459.22446	4.3
520.24646	0.3
564.24396	0.3
595.37872	0.3
609.39020	0.3
633.32697	1.0
651.33997	0.9
661.26599	0.4
669.31268	1.1
669.42078	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	669.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67092	2.1
57.03300	7.9
59.00961	5.4
59.01254	100.0
61.98696	2.7
68.99685	2.4
69.37067	18.7
71.01264	29.1
72.99184	3.2
73.02805	9.4
75.00739	8.0
83.01254	4.3
83.04891	3.1
85.02823	16.8
87.00750	16.4
89.02309	7.7
93.03326	7.8
95.01294	2.4
97.02821	10.1
99.00755	22.8
101.02342	20.7
107.04888	8.9
108.02036	6.4
109.02847	17.3
111.04410	2.7
113.02339	13.0
119.04890	6.7
120.05684	3.1
121.02827	4.6
123.04382	6.1
124.01579	3.3
125.02361	23.7
129.51700	2.4
134.03619	8.6
135.04388	8.7
137.02336	4.8
138.25090	2.2
145.02831	3.6
147.04379	5.4
149.05933	5.0
151.03931	4.0
152.04688	2.7
153.01901	11.9
159.62430	2.1
161.02411	2.1
161.04510	12.8
161.05743	2.2
161.09610	16.4
161.13226	10.0
163.03882	6.6
163.11180	8.6
165.05457	2.1
167.03374	2.8
173.04497	14.0
175.03870	4.3
177.59865	2.5
179.03334	3.2
187.11212	27.1
189.09169	12.1
190.02614	5.6
191.03433	3.1
191.05490	14.3
193.04958	17.0
203.03416	2.0
205.12259	16.7
207.10222	12.7
223.11395	3.0
223.13368	41.9
224.13692	3.4
245.87372	2.1
249.11293	21.0
251.07216	3.1
265.08487	2.5
267.12369	22.6
297.06033	5.2
310.08261	2.4
315.07205	15.1
337.09213	4.8
343.08334	2.7
363.67520	2.4
373.25815	5.4
397.69089	2.2
419.12003	60.9
420.12424	6.4
455.99258	2.3
543.20605	4.0
669.23914	84.9
669.39935	3.7
670.24176	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	669.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67092	2.1
57.03300	7.9
59.00961	5.4
59.01254	100.0
61.98696	2.7
68.99685	2.4
69.37067	18.7
71.01264	29.1
72.99184	3.2
73.02805	9.4
75.00739	8.0
83.01254	4.3
83.04891	3.1
85.02823	16.8
87.00750	16.4
89.02309	7.7
93.03326	7.8
95.01294	2.4
97.02821	10.1
99.00755	22.8
101.02342	20.7
107.04888	8.9
108.02036	6.4
109.02847	17.3
111.04410	2.7
113.02339	13.0
119.04890	6.7
120.05684	3.1
121.02827	4.6
123.04382	6.1
124.01579	3.3
125.02361	23.7
129.51700	2.4
134.03619	8.6
135.04388	8.7
137.02336	4.8
138.25090	2.2
145.02831	3.6
147.04379	5.4
149.05933	5.0
151.03931	4.0
152.04688	2.7
153.01901	11.9
159.62430	2.1
161.02411	2.1
161.04510	12.8
161.05743	2.2
161.09610	16.4
161.13226	10.0
163.03882	6.6
163.11180	8.6
165.05457	2.1
167.03374	2.8
173.04497	14.0
175.03870	4.3
177.59865	2.5
179.03334	3.2
187.11212	27.1
189.09169	12.1
190.02614	5.6
191.03433	3.1
191.05490	14.3
193.04958	17.0
203.03416	2.0
205.12259	16.7
207.10222	12.7
223.11395	3.0
223.13368	41.9
224.13692	3.4
245.87372	2.1
249.11293	21.0
251.07216	3.1
265.08487	2.5
267.12369	22.6
297.06033	5.2
310.08261	2.4
315.07205	15.1
337.09213	4.8
343.08334	2.7
363.67520	2.4
373.25815	5.4
397.69089	2.2
419.12003	60.9
420.12424	6.4
455.99258	2.3
543.20605	4.0
669.23914	84.9
669.39935	3.7
670.24176	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	669.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.1
59.01258	12.2
61.98675	2.3
66.43154	1.2
69.99432	5.8
71.01250	8.6
72.99168	2.0
73.02808	3.1
75.00732	5.1
85.02840	7.2
87.00744	11.0
89.02285	2.3
93.03331	9.6
93.09485	1.3
95.01240	3.1
95.04826	1.4
99.00761	2.5
101.02299	3.9
108.02061	96.5
109.02862	31.4
113.02327	2.4
119.04929	6.3
121.02847	7.4
123.00783	1.3
123.04383	1.6
125.02322	2.7
133.02812	1.6
134.03647	8.6
135.00742	3.2
135.04366	4.2
137.02342	18.9
145.02850	3.1
146.38448	1.4
147.04359	5.9
148.12897	1.3
149.02415	1.8
149.05919	5.0
149.06970	1.5
150.03201	1.5
151.03920	2.5
152.01065	100.0
153.01865	27.2
159.04419	2.4
160.01518	3.2
161.02296	2.2
163.03940	9.8
165.01884	3.3
165.03922	2.0
166.02600	1.4
167.03387	2.1
172.05147	1.5
173.02295	2.3
173.04427	3.5
173.05858	3.1
174.03127	6.3
175.03894	5.4
176.01062	1.2
177.01788	1.2
177.05367	1.2
179.03326	1.2
187.03856	2.2
187.07521	1.7
191.03410	1.6
191.05482	6.0
193.05014	9.6
203.03357	3.4
215.07100	1.8
217.05000	3.0
223.07455	1.6
237.05568	2.8
248.04671	1.8
249.05568	1.8
251.07104	3.5
264.08078	1.4
265.04904	4.2
265.08386	1.6
266.05707	3.0
267.06689	4.7
268.07272	2.5
272.92462	1.4
277.04971	3.9
278.05661	2.5
279.06525	4.0
280.07153	2.8
281.07956	1.9
293.04538	3.1
294.05154	6.2
294.08868	4.5
295.09482	2.0
297.14893	1.6
305.04358	2.6
306.05267	3.9
307.05896	2.0
308.06992	7.4
309.07684	11.5
310.07892	1.7
315.07254	15.3
316.07632	1.9
320.06873	2.4
321.07498	4.1
323.09192	7.1
338.08057	1.7
339.08466	3.2
353.10086	3.6
364.22452	1.4
367.10419	1.6
443.11618	1.5
447.16809	2.0
463.15952	2.5
465.15271	4.5
483.12894	2.9
521.32959	2.6
533.13007	9.1
534.12518	1.7
639.17200	34.4
640.17407	6.6
651.17236	36.1
651.26923	1.4
652.17401	5.2
669.17944	72.2
669.36365	2.9
670.18610	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	669.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35667	0.8
57.46857	0.8
59.01258	3.0
61.78432	0.8
66.45397	0.7
69.03332	2.7
69.26210	1.3
69.26616	6.4
73.02805	1.1
81.03352	1.5
83.01269	1.1
85.02826	4.8
87.00745	2.7
89.02310	0.8
93.01810	0.7
93.03358	2.1
95.01267	2.7
97.02844	2.8
101.02330	1.4
102.11629	0.9
107.01272	1.4
108.02057	91.4
109.02861	33.3
110.03214	1.3
113.02323	1.9
117.03355	19.9
119.04916	11.4
121.02836	7.6
122.03646	5.7
123.00771	2.1
123.04424	3.1
125.02353	3.4
133.01135	0.8
134.03662	2.5
135.04388	2.3
137.02330	2.9
145.02864	79.1
146.03230	4.1
147.04446	4.8
148.05214	1.7
149.02319	1.0
151.00281	2.3
152.01065	100.0
153.01852	47.4
154.02280	1.9
159.04436	1.4
161.05989	3.3
163.03900	13.1
165.05496	10.8
173.02487	1.1
174.03134	6.0
175.03882	2.6
179.07040	2.7
191.05557	1.9
193.04994	3.1
202.02719	1.4
217.04976	2.3
229.04875	1.0
237.05612	2.0
239.07199	0.8
248.04808	0.9
249.05478	2.5
250.06334	1.2
251.07216	2.8
263.07080	2.9
264.07877	2.4
265.05045	3.0
265.08438	1.2
266.05792	2.0
267.06625	5.3
268.07135	1.0
277.05032	2.8
278.05780	1.3
279.06628	5.7
279.10150	1.5
280.07339	1.5
282.08908	2.0
283.09842	1.2
293.04562	2.7
293.08173	1.6
294.05319	4.2
294.08994	2.9
295.06061	1.8
297.06201	3.2
305.04507	1.7
306.05273	3.0
307.08264	51.3
308.06934	3.2
308.08447	2.8
309.07831	7.8
310.08002	1.2
315.07266	3.2
315.12671	1.2
320.06860	1.8
321.07755	6.6
322.08514	1.9
323.05533	3.0
323.09259	7.4
324.06314	1.6
324.09641	1.4
326.07986	0.9
329.06476	0.9
338.07999	3.7
339.08597	3.9
341.10309	1.1
346.14307	4.6
347.14978	5.7
353.10284	6.4
361.16565	19.8
362.16895	2.2
369.51508	0.9
392.11435	1.0
471.12674	1.1
483.13077	3.6
533.13007	10.9
534.13293	2.2
547.14832	1.3
639.17206	39.7
640.17554	8.9
645.47839	0.9
651.17212	43.6
652.17712	8.3
669.17126	62.2
670.17468	13.2
670.27844	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	667.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
59.01249	6.1
59.18509	1.0
61.98694	1.1
70.81085	1.1
71.01257	4.4
72.99172	1.9
73.02837	1.6
75.00764	1.9
76.94450	1.0
85.02830	3.0
87.00757	4.8
93.03358	2.1
95.04916	1.1
99.00729	3.1
101.02318	2.9
109.02846	3.1
111.42079	1.1
113.02293	1.5
119.04930	1.7
121.02828	2.2
123.04396	1.7
125.02357	1.3
133.02875	3.0
135.04382	1.7
137.02351	3.6
145.02856	2.2
146.03604	6.0
147.04448	14.4
148.05177	3.8
149.02339	1.7
149.05803	1.3
150.03152	1.1
151.52907	1.0
159.04425	7.9
160.05171	1.1
161.02354	3.2
161.05986	4.4
163.03929	1.5
165.03922	3.0
165.05264	1.0
172.05171	6.0
173.05998	4.9
174.03148	1.6
175.03993	5.7
175.07657	2.0
176.04692	3.9
176.08302	2.6
183.04524	1.7
185.06020	2.2
186.06804	2.0
187.03957	12.0
187.07600	5.8
188.04718	25.5
189.05566	5.4
189.09135	4.4
191.03429	2.5
191.05508	2.0
192.04073	1.7
193.04985	3.0
197.06033	12.2
198.06792	26.9
199.07262	3.0
200.04785	1.3
201.05464	6.3
201.09195	11.4
202.06093	2.0
203.06966	2.5
204.04359	1.6
204.07848	10.1
207.56155	1.1
211.07649	3.8
212.08362	1.4
215.07077	7.5
216.07841	7.7
217.12280	4.9
225.09175	2.3
226.02638	1.5
226.09793	1.7
227.03459	1.9
227.10730	46.2
228.11111	4.1
229.08702	4.4
229.76027	1.2
230.05637	1.6
232.03670	1.6
241.08691	2.0
243.10248	6.7
244.10812	3.6
245.11810	33.9
246.12091	3.6
255.02969	1.8
256.03632	1.7
257.03476	1.4
259.09695	3.7
261.11374	1.0
269.04529	1.3
270.01672	2.5
271.02161	1.5
271.09818	3.5
283.02142	1.2
284.03302	1.9
285.04068	10.4
286.04086	1.8
287.09213	5.4
289.10867	19.9
290.11200	1.8
298.01151	2.3
299.05701	1.3
305.10251	2.0
313.03552	32.6
314.03864	2.4
317.84653	1.2
327.05176	3.7
328.05902	13.9
333.09808	100.0
334.10147	14.9
335.10370	4.2
343.08203	73.6
344.08615	8.8
373.09302	1.4
420.44690	1.2
457.53845	1.1
549.66107	1.1
551.42517	1.1
567.65234	1.1
602.65173	1.2
623.14801	2.1
667.23181	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	667.2255
Annotation	Hemiphroside A
Peak:m/z	Relative Intensity
51.88044	0.6
57.03333	3.4
59.01255	27.5
67.01746	1.3
68.22036	0.7
68.99682	1.4
69.03325	1.3
71.01254	15.7
71.04858	0.6
71.39345	0.6
71.52928	0.7
72.99184	5.8
73.02831	3.2
75.00749	13.8
82.79248	0.5
83.01240	1.6
83.04912	0.9
85.02825	16.4
86.83635	0.5
87.00760	9.3
89.02328	3.6
89.03858	0.9
93.03332	8.0
95.01273	4.3
95.04919	1.2
97.02867	0.5
97.06416	0.6
97.17406	0.5
99.00763	9.1
99.04391	1.9
101.02311	1.7
103.00245	1.3
105.03356	1.0
109.02840	1.1
111.00771	1.5
113.02335	18.7
114.02620	0.7
115.00269	1.5
117.01833	1.4
117.03349	2.3
119.04907	2.4
119.08533	2.1
121.02805	2.5
123.04394	0.9
124.01598	0.7
125.02327	0.7
129.01845	1.6
131.03404	0.7
132.02075	2.6
133.02869	3.2
134.03638	28.6
135.04289	2.1
135.08057	1.4
135.11646	0.9
136.28764	0.6
137.02339	15.3
137.09634	7.4
138.02640	0.6
139.00304	0.6
139.03989	0.6
145.02869	1.7
145.04327	0.6
147.04422	8.0
148.05162	1.7
149.02277	0.8
149.06004	2.9
150.03081	0.7
151.03925	0.8
152.00941	0.6
153.09125	1.6
159.04439	0.9
160.01587	12.0
161.02365	4.0
161.04390	0.9
161.09607	2.0
163.03954	3.0
163.07512	2.0
165.03966	0.9
172.05208	0.7
173.04523	1.3
173.05908	1.1
175.02380	3.4
175.03928	12.6
175.07597	0.7
176.04587	0.5
177.01836	1.0
178.02635	0.8
179.03351	1.3
179.10696	4.1
181.08632	5.8
191.03389	2.2
192.04271	0.9
193.03508	1.3
193.05002	16.0
194.05385	1.1
197.11775	3.0
223.09657	1.4
231.05049	0.9
241.10674	1.3
243.10316	1.1
245.11899	1.5
249.06062	8.2
267.07208	12.2
276.06436	0.9
287.09344	0.7
288.22165	0.6
289.11005	1.1
291.08722	1.0
315.14465	2.5
329.06744	0.9
333.09775	8.0
382.11499	0.6
425.10928	1.4
429.17477	2.1
431.15524	2.7
443.12009	7.5
461.18399	0.8
473.16760	2.7
474.16641	0.7
491.17725	30.1
492.18127	3.9
505.19281	1.3
601.96448	0.7
605.22107	2.5
607.20367	2.4
649.20972	4.4
667.22394	100.0
668.22717	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	667.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43954	0.9
59.01254	100.0
60.01587	1.8
61.98704	2.3
70.02495	3.1
71.01254	2.6
75.46687	0.9
78.95759	1.4
81.46223	0.8
95.16693	0.8
95.54874	0.7
97.37609	0.9
98.19849	0.9
104.81519	0.9
111.41444	0.8
121.02795	1.1
163.07562	3.4
164.07933	2.0
209.11777	1.8
211.13240	1.6
213.14926	4.2
223.13313	3.7
277.21793	2.1
342.07468	1.4
366.88031	1.0
462.36697	1.3
463.35471	1.0
509.80667	0.9
667.32404	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	667.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.0
68.04754	0.9
71.01256	6.7
72.99171	1.5
73.02831	2.7
75.00752	12.7
85.02834	3.4
87.00754	9.5
89.02326	3.0
89.03819	1.2
89.17347	0.8
91.05441	3.0
93.03351	2.7
95.01249	1.7
99.00747	2.0
101.02325	3.2
107.05013	0.9
108.02044	4.7
109.02847	13.9
110.76816	0.8
111.00742	1.4
111.04456	0.9
113.02328	3.7
117.03368	3.0
119.04913	2.2
121.02834	8.0
123.00755	2.1
123.04431	2.5
127.47966	0.8
130.99754	1.9
132.02066	17.8
133.02863	4.2
134.03644	38.2
135.04442	18.8
136.01587	5.3
137.02347	18.5
138.03119	2.1
139.03944	1.1
145.02882	1.7
145.04926	1.2
147.04384	4.7
148.05191	1.7
149.02348	2.6
149.05998	9.5
150.03105	2.9
151.00252	1.3
151.03935	14.8
152.01082	2.9
153.01871	8.3
157.30534	1.0
159.04417	1.4
160.01576	72.0
161.02380	11.9
161.04463	1.8
162.02888	1.3
163.03951	4.8
164.04384	1.2
165.05428	1.0
172.05165	1.4
173.04494	1.3
173.05933	1.5
174.03171	1.4
175.03931	100.0
176.04285	6.5
177.05513	1.3
178.02611	4.8
190.02702	1.1
191.03345	1.2
193.04999	46.8
194.05286	1.8
197.05812	1.1
201.09073	1.0
202.02698	1.4
202.06192	1.3
203.03404	1.3
203.07050	0.9
209.11786	3.1
211.13394	1.3
214.06358	1.4
215.07217	1.4
217.04955	3.7
219.03072	1.1
225.09253	1.0
227.07149	0.9
229.08638	0.9
239.16675	0.8
240.07745	0.9
253.05115	1.0
258.11523	1.0
271.02426	3.0
271.06104	4.5
271.09470	0.8
272.06906	1.7
284.03149	5.8
285.07822	1.4
286.08530	4.4
287.09241	16.5
288.09711	1.6
299.01965	6.6
299.05609	8.7
300.06143	1.2
313.10791	4.0
314.04187	2.3
315.07407	2.7
329.06616	13.2
365.08810	2.3
379.10367	18.3
380.10706	1.9
397.13596	2.2
441.16977	1.2
461.17719	1.2
473.14642	3.4
475.25781	1.4
491.11575	9.3
492.12662	0.9
519.31219	1.1
527.64874	1.0
549.11597	1.2
561.21967	1.7
573.26862	0.9
591.16736	1.2
623.36572	16.3
623.80182	1.0
649.18304	2.3
667.19922	28.4
667.38892	3.4
668.19995	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	667.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.0
68.04754	0.9
71.01256	6.7
72.99171	1.5
73.02831	2.7
75.00752	12.7
85.02834	3.4
87.00754	9.5
89.02326	3.0
89.03819	1.2
89.17347	0.8
91.05441	3.0
93.03351	2.7
95.01249	1.7
99.00747	2.0
101.02325	3.2
107.05013	0.9
108.02044	4.7
109.02847	13.9
110.76816	0.8
111.00742	1.4
111.04456	0.9
113.02328	3.7
117.03368	3.0
119.04913	2.2
121.02834	8.0
123.00755	2.1
123.04431	2.5
127.47966	0.8
130.99754	1.9
132.02066	17.8
133.02863	4.2
134.03644	38.2
135.04442	18.8
136.01587	5.3
137.02347	18.5
138.03119	2.1
139.03944	1.1
145.02882	1.7
145.04926	1.2
147.04384	4.7
148.05191	1.7
149.02348	2.6
149.05998	9.5
150.03105	2.9
151.00252	1.3
151.03935	14.8
152.01082	2.9
153.01871	8.3
157.30534	1.0
159.04417	1.4
160.01576	72.0
161.02380	11.9
161.04463	1.8
162.02888	1.3
163.03951	4.8
164.04384	1.2
165.05428	1.0
172.05165	1.4
173.04494	1.3
173.05933	1.5
174.03171	1.4
175.03931	100.0
176.04285	6.5
177.05513	1.3
178.02611	4.8
190.02702	1.1
191.03345	1.2
193.04999	46.8
194.05286	1.8
197.05812	1.1
201.09073	1.0
202.02698	1.4
202.06192	1.3
203.03404	1.3
203.07050	0.9
209.11786	3.1
211.13394	1.3
214.06358	1.4
215.07217	1.4
217.04955	3.7
219.03072	1.1
225.09253	1.0
227.07149	0.9
229.08638	0.9
239.16675	0.8
240.07745	0.9
253.05115	1.0
258.11523	1.0
271.02426	3.0
271.06104	4.5
271.09470	0.8
272.06906	1.7
284.03149	5.8
285.07822	1.4
286.08530	4.4
287.09241	16.5
288.09711	1.6
299.01965	6.6
299.05609	8.7
300.06143	1.2
313.10791	4.0
314.04187	2.3
315.07407	2.7
329.06616	13.2
365.08810	2.3
379.10367	18.3
380.10706	1.9
397.13596	2.2
441.16977	1.2
461.17719	1.2
473.14642	3.4
475.25781	1.4
491.11575	9.3
492.12662	0.9
519.31219	1.1
527.64874	1.0
549.11597	1.2
561.21967	1.7
573.26862	0.9
591.16736	1.2
623.36572	16.3
623.80182	1.0
649.18304	2.3
667.19922	28.4
667.38892	3.4
668.19995	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	667.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07488	0.9
57.03318	1.1
59.01248	4.6
69.03317	2.9
69.88844	4.5
69.89120	1.0
71.01234	2.3
72.98749	1.0
85.02806	3.0
86.78856	0.9
87.00737	2.6
89.02311	0.9
89.04495	1.0
91.05392	1.0
93.03343	1.7
95.01254	2.1
97.02816	2.8
98.20556	0.9
99.00779	1.3
101.02304	1.0
101.14494	0.8
103.52751	0.8
107.01274	2.0
108.02055	59.1
109.02870	13.6
113.02328	1.5
117.03347	2.7
119.04905	1.9
121.02818	2.9
123.00797	0.9
123.04372	1.2
125.02333	3.6
130.32146	0.9
130.99762	1.4
132.02078	14.9
133.02869	8.6
134.03632	28.5
135.00771	1.1
135.04449	4.3
137.02350	2.3
147.04407	2.8
149.05957	3.6
151.00258	2.1
152.01059	84.6
153.01855	16.9
153.09146	1.1
159.04443	0.9
160.01567	56.5
161.02356	24.5
163.03957	1.3
173.05920	1.1
175.03925	42.3
176.04387	1.4
177.01970	1.3
178.02628	2.6
179.03452	3.0
185.53722	0.8
193.04996	12.2
228.04094	0.9
238.17061	0.9
243.06337	1.3
279.06760	1.5
284.03250	3.6
297.06125	1.1
299.05551	5.2
315.07010	1.2
323.07669	2.6
369.50885	0.9
379.10107	0.9
473.10754	2.9
491.11942	10.5
492.12137	2.0
499.12650	3.2
539.20087	1.2
623.17993	1.6
667.16687	100.0
668.16949	20.0
668.27161	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	667.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14442	2.1
56.08064	2.3
59.01243	2.0
71.39272	3.3
87.00727	2.6
91.05394	2.2
93.03333	20.2
95.01266	5.3
95.04922	2.3
105.03328	8.7
107.04913	8.4
108.02071	3.8
109.02809	8.1
115.05389	4.2
117.03350	8.3
119.04916	4.6
121.02838	42.2
121.06390	2.7
121.39520	2.8
121.60877	2.1
123.04424	34.4
131.04909	7.3
133.02901	20.0
135.00790	5.8
135.04381	11.7
137.02345	5.9
143.04958	6.4
145.02814	11.0
146.03641	8.6
147.04417	16.5
148.01498	4.7
148.05177	3.6
149.02356	47.8
150.03065	3.9
151.03914	17.6
153.01802	5.9
159.04422	100.0
160.05057	9.0
161.02357	16.9
161.05983	60.9
162.06320	4.8
162.80586	2.1
163.00351	2.7
163.03925	21.6
164.04272	2.5
167.03378	4.4
171.04510	3.9
174.03098	3.0
175.03886	7.4
177.01866	68.8
178.02217	3.5
179.03482	4.3
181.04985	6.6
187.03932	28.5
188.04553	2.8
189.01874	5.1
189.05521	4.9
189.39282	2.3
191.03426	13.8
191.05260	3.0
193.04898	4.8
195.02911	63.7
203.03413	5.1
207.02916	47.1
209.06091	3.3
210.06735	2.4
211.07491	3.8
213.01845	3.4
217.04942	3.8
219.02974	7.0
223.03954	3.2
224.04610	3.2
225.03905	23.3
225.05605	2.3
229.01454	2.6
231.02843	4.8
233.06120	4.1
234.06836	3.4
235.07591	6.8
237.05583	3.4
238.06371	4.3
239.06963	3.6
240.04128	4.5
243.02966	3.5
245.05998	2.7
247.07611	3.7
249.05571	7.1
249.09171	2.7
251.07129	4.0
255.06746	2.5
262.06256	14.3
263.07071	35.1
264.04373	3.0
264.07556	3.5
265.04886	4.1
265.08670	3.5
266.05869	5.7
269.04608	3.4
275.07123	7.6
277.04987	8.7
278.05789	18.4
279.06726	22.1
280.07220	8.3
281.05038	4.4
281.08182	85.7
282.08493	10.0
289.05109	3.2
291.06668	16.9
292.07190	6.9
293.08246	25.3
297.06134	8.8
303.06656	4.2
305.08087	4.2
306.05313	5.8
307.06192	22.7
308.06683	3.8
309.07614	3.9
312.60229	2.4
315.06924	3.6
318.05417	3.6
319.06052	10.2
320.06427	3.1
321.07684	82.2
322.08057	8.1
323.05655	5.7
323.09286	5.8
333.03922	3.8
333.07520	11.3
337.07217	3.5
339.04657	4.3
339.08731	66.1
340.09067	9.6
347.05420	6.8
351.05014	5.4
351.08737	40.2
352.08990	4.7
363.08575	5.8
365.06601	18.6
369.09741	56.5
370.10254	6.1
377.06729	6.0
381.09897	6.9
383.07474	4.7
387.08533	3.6
391.04300	3.1
395.07852	11.7
399.08511	3.6
405.09625	9.7
409.05618	3.0
411.08267	3.1
413.09570	8.6
423.10629	4.1
424.10147	2.4
427.06522	9.4
441.09738	66.0
442.10144	9.7
449.08624	3.2
457.07574	10.2
459.11523	21.0
460.11658	3.7
467.09598	8.3
471.10846	28.3
472.11014	5.7
483.10944	5.5
485.09076	8.7
489.11819	9.4
497.09204	3.9
503.09451	3.9
507.10818	5.0
515.09930	3.9
547.09760	13.6
548.09540	4.1
561.13855	10.5
577.10480	11.2
587.11877	4.8
649.12030	3.0
667.13031	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	665.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21661	1.7
59.00957	4.0
59.01250	53.5
71.01257	29.7
72.99182	2.2
85.02830	6.1
87.00742	2.3
89.02320	25.7
101.02307	19.1
113.02335	12.9
113.56503	1.9
119.03380	14.6
143.03403	2.9
161.04503	3.0
235.13959	1.8
237.09610	2.5
302.71597	2.1
323.13449	100.0
324.13867	8.3
341.10678	3.2
533.47882	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	665.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32801	0.3
55.81711	0.3
57.03312	0.4
59.01252	36.4
60.01572	0.4
61.19036	0.3
61.98697	1.8
69.03331	0.3
71.01258	1.5
71.53551	0.4
73.02797	0.4
83.96190	0.3
85.02848	0.7
87.00790	0.5
89.02305	0.3
101.02296	0.7
113.02375	0.6
125.86560	0.3
135.08028	3.2
147.04471	0.3
149.06044	0.3
150.06787	1.5
161.04503	0.6
161.86642	0.3
163.07561	100.0
164.07906	4.9
176.06815	0.4
176.08345	1.3
195.13795	0.8
205.12250	0.7
211.13368	1.0
223.13348	8.6
224.13728	0.7
253.09262	0.5
277.21613	0.7
293.21320	0.5
309.50815	0.3
313.03229	0.3
324.89771	0.3
359.07773	0.4
397.13397	0.3
443.35294	0.7
446.33899	2.3
459.22269	0.4
461.36365	68.3
462.36707	11.0
503.37442	3.7
504.37503	0.9
525.31317	0.3
605.40625	0.8
607.22565	0.3
665.43445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26426	5.4
64.75741	6.0
71.08189	18.3
93.03341	28.0
101.28789	6.5
105.03355	8.4
107.04933	13.2
109.02799	11.4
117.03352	8.2
119.04890	6.5
120.71899	6.7
121.02851	43.1
123.04399	34.4
131.04964	10.2
133.02837	17.9
135.04434	16.7
137.02325	11.1
143.04884	10.4
145.02840	16.3
146.03645	10.8
147.04483	15.2
149.02353	49.5
151.03906	16.7
159.04413	96.9
160.05142	15.1
161.02315	11.1
161.06004	67.1
163.03889	26.4
164.04369	6.0
167.03497	5.9
171.04530	6.6
175.03871	9.3
177.01846	65.2
179.03436	8.3
181.04930	9.2
187.03943	28.7
191.03412	14.7
193.04907	9.6
195.02919	58.6
207.02971	53.7
209.05879	6.7
219.02934	15.9
225.03833	33.5
231.02956	9.2
261.03879	10.2
262.06317	13.7
263.07065	35.8
264.07620	8.0
265.05197	8.3
265.08801	8.5
275.07141	10.7
277.05029	12.7
278.05853	23.1
279.06570	28.0
280.07230	12.0
281.08209	100.0
291.06808	15.2
292.07303	11.7
293.08286	24.6
307.06097	27.4
318.43280	6.1
319.05978	10.1
321.07697	91.2
322.08057	8.4
323.05670	8.3
323.09244	8.9
333.07736	14.1
339.08731	73.7
347.05728	7.1
351.08698	49.6
352.09167	6.4
363.08707	10.5
365.06601	20.7
369.09921	60.8
370.09988	6.9
373.22018	7.2
377.06564	8.4
381.09818	8.1
387.08591	8.5
395.07840	20.2
405.09726	14.7
413.09418	8.1
441.09808	69.9
442.10159	12.2
459.11398	21.2
471.10791	45.7
472.11075	12.5
485.09393	8.7
489.11737	11.0
529.10089	6.4
547.09174	13.8
561.14679	7.6
577.09930	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	665.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96587	5.1
56.81612	4.9
57.03323	6.9
59.01251	80.4
60.30178	4.9
61.98701	7.8
71.01260	34.3
71.54487	11.5
72.99161	9.1
73.02822	11.5
75.00758	8.3
81.05217	5.0
83.01224	7.6
85.02817	24.4
87.00753	69.1
89.02315	18.1
93.03340	39.1
99.00757	18.3
101.02316	12.0
101.08916	5.1
108.02043	11.1
109.02827	36.1
113.02344	31.3
119.04926	62.7
120.05243	14.9
121.02855	94.1
122.03642	8.1
123.04403	8.7
125.02297	8.7
130.99738	15.5
133.02856	12.8
134.03621	64.5
135.04366	18.4
137.02336	72.2
138.01880	29.6
138.57620	5.3
139.02179	5.4
139.03903	6.3
141.83218	4.7
145.02885	30.8
146.03548	10.2
147.04401	56.7
148.05162	10.5
149.06012	34.0
150.06258	5.7
159.04414	27.5
160.01567	9.2
161.02293	9.1
163.03931	97.6
163.07500	9.5
164.04233	27.0
171.04405	14.4
172.05193	24.1
173.05940	29.5
174.03145	7.8
175.03870	27.5
175.07590	13.1
177.01807	5.5
178.95744	5.7
183.04393	5.2
185.06056	14.4
186.06702	7.3
187.03966	13.8
187.07555	28.4
188.04558	5.7
189.05467	19.3
190.06149	6.5
191.03351	10.7
191.05542	8.5
191.07118	6.4
192.04160	8.1
193.05037	100.0
197.05952	11.7
198.06810	5.8
199.03870	7.0
199.07596	8.0
200.04637	9.5
201.05470	22.7
201.09157	31.5
203.03310	7.8
204.07787	5.8
213.05542	6.2
213.09079	6.0
214.06285	10.9
215.07039	17.2
215.10599	11.9
216.04228	11.2
217.01338	6.7
218.02113	20.1
219.02919	18.8
225.09142	8.7
226.09662	8.2
227.03401	7.1
227.10706	12.7
229.08788	7.4
232.03725	8.0
237.03810	7.0
242.09070	6.2
243.10271	41.0
244.10785	7.2
245.04414	17.5
245.08165	11.1
254.04269	8.6
267.07169	21.2
268.07462	15.2
269.07742	8.2
271.02484	13.5
287.09067	10.7
304.07361	7.1
313.07053	9.5
315.08713	11.1
331.07993	7.3
333.09818	9.7
349.09253	7.1
351.10657	10.7
373.14120	7.3
374.15045	7.4
414.11212	12.2
415.11203	10.2
433.35248	5.7
487.26849	6.3
647.17883	26.4
665.23535	21.6
665.35150	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73718	0.4
53.70092	0.4
56.41498	0.4
57.03309	0.5
59.01254	8.8
61.98707	2.3
65.03830	0.8
71.01250	1.9
71.53010	0.4
73.02814	0.6
75.19144	0.4
76.80264	0.4
78.95792	0.5
85.02811	0.8
87.00751	1.8
89.01492	0.4
89.02338	0.7
91.05413	2.4
93.03323	1.9
94.09688	0.4
96.61143	0.4
101.02333	0.8
107.04921	0.4
108.02023	1.6
109.02840	11.0
110.03132	0.4
113.02342	0.7
117.03352	29.4
118.03707	1.3
119.04924	15.0
121.02857	5.6
123.04426	2.5
131.04970	0.4
133.02834	0.6
134.03647	2.8
135.04422	23.1
136.04747	0.7
137.02322	1.2
145.02858	100.0
146.03174	4.5
147.04430	5.9
148.05200	1.4
149.05997	6.5
159.04433	1.3
161.06042	0.6
163.03926	17.9
164.04254	0.6
175.03929	0.9
175.07591	0.6
186.06851	0.6
187.03877	2.2
187.07378	0.5
188.04593	0.4
190.02757	0.5
191.03401	0.4
192.04221	0.7
193.05006	1.2
197.06030	0.6
201.05411	0.5
202.53004	0.4
203.07077	0.4
205.04936	0.7
209.11864	0.4
211.13365	0.5
212.08542	0.5
214.06306	0.5
215.07030	0.4
217.01428	0.5
218.02110	0.6
229.05031	0.5
229.08611	0.4
238.06398	0.8
241.05081	1.0
243.09984	0.5
253.08771	0.9
256.07407	1.0
271.09750	34.1
272.10144	3.3
272.12766	0.6
283.05975	0.5
295.09824	0.7
307.08356	0.6
325.10699	0.7
349.09280	21.9
350.09763	2.1
397.13373	0.5
415.14462	0.4
457.14957	1.7
579.18481	1.0
621.19733	25.6
622.20123	6.1
664.37219	0.6
665.39063	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	665.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.6
59.01254	14.1
61.98681	1.5
69.70107	1.4
71.01243	4.2
71.53950	1.2
75.00740	3.5
85.02799	1.6
87.00768	3.5
89.02305	2.9
89.87526	1.3
92.32867	1.1
93.03330	2.4
97.06452	1.3
99.00762	4.1
101.02321	3.1
108.02108	1.2
109.02821	2.1
111.00741	1.2
113.02335	5.0
119.04877	1.6
134.03543	1.4
135.04404	2.8
137.02318	2.1
139.03915	1.4
145.02808	1.6
146.03645	5.1
147.04439	12.8
148.05205	4.2
149.05968	2.2
151.00238	1.8
157.86668	1.3
159.04404	7.0
160.05066	1.2
161.02362	1.4
161.04575	1.5
161.05959	3.5
162.03189	1.4
163.03972	3.0
163.07555	2.2
165.03922	5.3
165.05319	2.4
172.05214	5.3
173.05936	5.1
175.03856	3.8
176.04721	3.4
176.08278	1.5
179.03453	3.0
180.05806	1.3
181.98035	1.4
185.05995	2.9
186.06694	3.4
187.03931	10.4
187.07556	6.8
188.04716	27.3
188.08344	2.3
189.05452	4.3
189.09157	7.0
191.05521	2.8
193.04887	1.8
196.05138	1.7
197.05960	8.7
198.06793	24.2
199.07385	2.2
199.11197	1.4
200.04861	1.7
200.08148	1.3
201.05576	6.4
201.09148	7.2
202.06262	1.8
203.07187	1.8
204.07864	10.0
211.07584	2.5
212.08473	1.7
213.05531	2.0
213.08842	1.4
214.06267	2.8
215.06958	7.1
215.10616	2.4
216.07939	7.0
217.12320	8.9
223.07619	3.7
223.13330	3.7
224.08200	1.6
225.09079	3.6
227.03488	10.4
227.10732	51.5
228.11053	3.4
229.08702	2.9
230.05780	2.8
243.10242	13.2
244.10818	5.8
245.11798	33.5
246.12155	2.6
249.06119	1.7
255.02939	22.2
256.03397	3.2
259.09763	4.1
271.09784	3.9
283.10434	3.0
284.03256	34.4
285.04004	8.4
287.09235	5.0
289.10834	19.6
290.11133	1.7
315.18179	1.4
329.06586	1.6
332.16653	1.3
333.09793	100.0
334.10275	6.2
343.08362	1.7
364.97211	1.5
385.19376	1.3
415.14502	7.8
621.14661	22.8
621.24194	1.4
622.14764	3.8
665.26904	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	664.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.1
61.15319	0.1
61.98704	100.0
62.98405	0.1
66.01293	0.1
67.15265	0.1
71.01267	0.1
85.76021	0.1
87.67168	0.1
89.02332	0.2
98.20513	0.2
109.58650	0.1
209.54341	0.1
292.88968	0.1
637.60443	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	665.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64480	0.9
57.43304	0.9
59.01244	2.3
68.93913	0.9
69.52699	6.6
83.01234	1.0
87.00746	1.5
93.03353	1.4
95.12382	0.9
98.19894	1.9
99.00776	1.1
101.02339	1.1
107.01285	1.7
109.02830	1.5
119.04903	1.2
132.02090	1.5
133.02850	0.9
145.02852	2.4
147.04437	2.6
149.05959	1.7
151.00261	2.5
152.01054	1.2
159.04445	3.1
163.00233	2.1
172.05193	1.6
173.05940	1.8
175.03952	1.4
178.99808	1.4
179.03401	0.9
183.04367	1.7
185.02234	1.0
185.06065	1.8
187.03864	2.8
187.07556	2.0
188.04718	3.1
189.05536	1.1
193.04898	1.3
197.05998	2.1
198.06784	4.3
200.04677	1.1
201.05540	2.0
201.09200	2.6
204.07828	1.9
211.03952	2.1
213.05530	1.5
215.07056	1.7
216.07843	1.2
227.03444	40.8
227.10832	6.3
227.27252	0.8
228.03842	3.9
229.05081	2.7
239.03389	1.1
240.04309	1.3
243.10283	2.2
245.11780	5.8
255.02977	73.6
256.03491	10.1
257.04550	4.4
284.03268	100.0
285.03909	25.2
286.04330	1.2
289.10815	3.9
333.09772	20.2
334.10147	1.7
442.41550	1.0
561.12805	3.1
579.13605	3.0
621.14569	82.4
622.15002	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	663.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.4
59.01250	32.4
61.98721	1.8
64.29897	1.4
65.37790	1.5
71.01257	30.2
71.54449	1.9
72.99189	6.3
73.02811	4.6
75.00743	19.7
83.01273	2.4
85.02815	25.8
87.00749	28.2
89.02314	8.3
93.03323	3.3
95.01276	4.4
99.00761	11.4
99.39041	1.6
101.02322	4.9
103.00264	4.2
105.03383	1.4
106.12674	1.3
107.04918	4.2
108.02098	2.4
111.00803	2.9
113.02329	41.8
115.00311	2.0
117.01823	3.1
117.03363	11.7
119.04919	33.1
121.02840	7.2
122.03649	2.6
123.04403	3.2
125.02278	2.1
129.01860	3.9
130.99788	3.3
131.03427	1.5
133.02847	2.1
134.03638	18.9
135.04327	1.6
137.02365	13.2
139.00323	1.7
139.03900	2.7
145.02853	31.0
146.03470	2.9
146.90314	1.6
147.04427	14.1
148.05150	6.7
149.02322	3.7
149.05980	19.4
150.03041	2.2
158.03543	1.5
159.04454	4.2
160.01590	2.2
161.02342	5.4
161.13261	1.8
163.03938	34.5
164.04764	3.3
171.10188	2.1
172.05214	3.0
173.04539	2.0
173.05977	4.4
174.03120	2.4
175.02420	3.2
175.03932	6.0
177.01909	4.6
179.03542	1.6
187.07384	1.9
187.11191	1.5
189.01811	5.6
190.02625	3.5
191.03395	4.6
192.04189	7.8
193.03340	2.3
193.04996	33.2
194.05296	2.1
197.06093	2.0
201.05562	3.0
201.09172	5.9
201.11060	2.5
203.03305	2.7
205.12257	2.1
207.04988	2.9
211.07643	1.9
213.05670	1.6
215.07014	4.1
218.02051	1.8
223.06010	4.2
223.07928	1.8
223.13319	1.8
225.05586	2.2
227.10657	1.7
231.02966	3.2
231.05141	2.7
233.00891	3.0
234.01506	1.6
236.03259	2.2
237.04051	4.2
237.07588	4.5
243.10265	3.0
245.08185	3.8
249.06142	17.8
252.52498	1.5
267.07220	81.7
268.03619	2.4
268.07687	3.5
283.06131	3.5
295.72870	1.5
297.03857	1.8
300.02847	1.5
303.06757	2.7
305.08395	1.7
313.03482	7.5
317.08118	2.2
321.11185	1.9
328.06024	4.0
329.08066	1.7
331.09860	2.4
333.10690	3.1
343.08182	13.9
344.08414	2.6
347.12955	2.4
361.10794	2.8
361.14651	2.0
389.14084	2.3
390.14529	1.6
395.09940	2.7
397.12866	2.1
413.10892	69.2
414.11276	7.8
432.12558	1.6
434.13708	2.1
455.19305	1.8
460.11783	3.7
499.18420	3.0
504.10535	2.0
517.19135	37.0
518.19263	3.4
522.11090	2.1
601.16467	2.7
603.21472	3.5
619.18573	3.1
645.16388	4.9
663.23102	100.0
664.23236	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.7
57.03309	6.9
59.01249	38.7
61.28271	2.9
61.98702	4.1
71.00951	2.7
71.01255	28.3
72.88535	2.8
72.99167	6.6
73.02809	5.5
75.00742	16.7
85.02822	30.5
87.00758	23.7
89.02312	7.3
93.03333	2.5
95.01258	8.3
96.95919	2.8
99.00769	17.5
101.02293	5.4
103.00222	3.2
105.03329	2.9
111.00762	3.5
113.01631	4.0
113.02338	50.6
117.01752	4.0
117.03374	13.5
119.04919	23.4
121.02805	3.2
123.04443	2.5
129.01790	2.9
132.02057	4.6
133.83081	2.5
134.03632	65.5
137.02301	8.8
145.02844	43.6
146.03407	4.8
147.04402	16.1
148.05128	5.3
149.05951	11.3
159.04402	5.5
160.01537	10.1
161.05894	2.6
161.09584	2.4
163.03915	26.8
163.11124	2.6
172.05090	2.7
173.06061	12.1
175.02443	3.1
175.03893	11.5
177.01878	4.6
178.12169	2.6
180.63002	2.5
187.04019	3.5
187.07462	3.3
187.11258	3.3
189.01878	3.5
190.02733	5.4
191.03423	2.8
192.04097	4.5
193.04994	67.8
194.05339	4.1
197.95476	2.5
203.03398	3.6
205.12248	4.0
215.06984	3.6
217.05057	3.2
233.04659	3.1
249.06110	16.4
266.86017	2.5
267.07202	68.9
268.07614	5.0
271.02570	3.0
301.07315	3.5
313.03424	6.7
328.05890	2.8
333.09921	5.4
339.08112	2.7
343.08325	11.2
361.10754	4.1
390.14575	3.1
413.10925	38.3
414.10812	3.1
457.16977	3.4
499.17889	3.1
504.10190	2.8
517.19122	54.4
518.19531	7.6
619.18439	6.0
663.22931	100.0
664.23468	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05554	0.4
57.36150	0.5
59.01255	5.0
60.08127	0.4
61.98699	0.7
71.01247	2.7
72.20109	0.4
72.99224	0.4
73.02832	1.3
73.17926	0.5
76.13351	0.5
78.84137	0.4
85.02843	1.6
87.00751	2.2
89.03844	1.5
93.03368	1.3
95.01302	0.5
98.20624	0.7
101.02335	1.7
107.04917	1.2
109.02843	0.7
113.02327	1.7
117.03351	5.9
119.04948	0.7
121.02854	0.8
122.03619	0.7
132.02097	2.7
133.02890	0.5
134.03635	81.0
135.03952	3.7
137.02347	3.3
145.02873	0.6
147.04424	1.9
148.05159	0.7
148.45020	0.5
149.02380	0.8
149.05994	6.7
150.06268	0.7
152.03448	1.5
159.04530	0.7
160.01559	9.3
161.02029	0.5
161.04474	0.7
163.03923	1.3
173.05957	0.7
175.03918	10.8
176.04297	0.5
178.02696	1.7
179.03418	0.5
189.01912	0.8
190.02618	0.9
191.03484	0.5
192.04121	0.7
193.04997	100.0
194.05316	5.2
201.05484	0.5
223.06104	1.0
233.00835	0.7
267.07343	0.7
268.03925	1.0
283.06024	0.9
312.60770	0.5
313.03479	1.0
343.08240	0.8
383.13361	1.0
443.15515	1.1
619.19989	2.8
645.15906	0.6
663.24573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80860	1.0
55.01750	2.3
56.63516	1.2
57.03310	4.2
58.84187	1.0
59.01253	37.1
61.98703	2.3
67.01774	1.7
68.99660	1.6
69.03329	2.0
71.00895	2.2
71.01258	24.9
72.99190	7.8
73.02802	3.1
75.00755	17.6
83.04826	1.0
85.02821	29.0
87.00755	18.5
89.02322	8.3
93.03342	1.5
95.01275	5.8
99.00757	12.5
101.02332	2.4
103.00259	2.6
111.00788	2.4
113.02335	41.4
115.00246	3.7
116.49519	1.1
116.50398	1.1
117.01883	2.5
117.03349	12.7
119.04916	19.8
121.02813	3.6
129.01851	1.8
130.99763	2.2
131.03392	1.6
134.03621	4.4
135.04443	2.5
135.11708	1.2
137.02322	3.7
139.03975	1.3
145.02866	39.9
146.03305	1.7
147.04422	6.3
147.15758	1.1
148.04959	1.2
149.02361	9.2
149.04463	1.3
149.05946	2.8
150.02936	1.2
157.01285	1.6
160.01544	4.3
161.02353	3.8
161.09593	2.1
161.13289	3.1
163.03917	17.1
163.11234	2.8
164.04349	1.5
164.95824	1.2
173.06018	1.9
175.02414	3.8
175.03802	2.5
177.01898	1.9
179.10742	1.4
184.05069	1.2
187.03926	1.4
187.11205	3.5
189.01753	1.3
190.02641	1.3
191.03412	2.9
192.04111	2.3
193.03485	2.0
193.04971	8.2
197.05888	1.3
201.05449	1.2
201.09123	1.6
203.03485	1.5
205.07106	1.2
205.12302	4.1
207.10121	3.3
211.03824	1.3
215.07132	1.6
223.13303	2.3
229.08592	1.2
233.00772	2.6
235.02467	1.4
237.07573	1.7
240.07864	4.0
241.08377	1.4
242.35072	1.2
249.06148	18.3
255.10252	7.4
261.07620	1.7
267.07205	69.9
268.03802	6.7
268.07541	4.6
274.58945	1.2
283.06183	10.9
288.09995	1.2
305.12952	1.1
337.07291	1.3
338.52365	1.2
347.13062	1.2
351.10437	1.9
395.09766	3.8
396.10059	1.2
413.10925	30.7
414.11105	2.6
455.19193	3.9
457.17322	2.3
459.16504	1.3
499.18311	2.8
500.19601	1.4
504.11087	1.6
517.19202	75.0
518.19568	10.0
603.21741	2.7
619.18604	1.5
621.91162	1.4
663.23029	100.0
664.23212	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	663.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44217	0.2
59.01252	0.9
69.52146	1.5
85.02834	0.4
87.00755	2.2
89.03862	0.3
91.01775	5.1
93.03357	1.2
117.03340	0.4
121.02856	0.8
123.04420	0.2
127.46084	0.2
132.02043	1.9
133.02827	0.3
134.03630	6.0
135.00783	8.6
135.04335	0.4
136.01151	0.3
136.31390	0.2
137.02332	1.1
139.03941	0.4
145.02841	0.3
145.53641	0.2
147.00763	0.5
147.04436	1.4
148.01480	0.5
148.05179	1.0
149.02394	0.2
149.05992	3.8
150.06317	0.3
153.01860	4.0
155.27225	0.2
159.04453	0.2
160.01576	4.3
161.02106	0.3
163.03931	0.4
175.03912	2.9
178.02681	1.8
184.05235	0.4
185.02490	0.3
191.03450	0.3
192.04256	0.3
193.04997	9.5
194.05405	0.6
194.60445	0.3
195.04448	0.9
196.05243	0.8
197.05980	0.3
198.03134	1.7
199.03888	0.5
200.04759	0.3
201.05556	0.3
207.04486	0.4
211.03899	1.2
212.04544	0.5
223.03978	1.1
224.04758	9.8
225.05142	0.6
226.02734	0.3
237.03996	0.5
239.03421	0.9
239.07141	1.0
240.04219	1.6
267.03000	0.9
268.03766	35.8
269.04074	2.9
270.01514	0.4
283.06113	100.0
284.06479	8.1
285.03876	0.4
313.03525	1.8
327.04907	0.4
328.05765	0.4
342.07278	0.4
343.08209	3.4
344.08554	0.3
345.29285	0.2
429.15967	0.3
492.11621	0.3
501.23074	0.3
523.54987	0.2
663.33881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95436	0.3
57.55701	0.3
59.01253	4.3
61.15731	0.3
63.22890	0.3
69.03312	0.3
70.52592	0.9
71.01262	2.5
72.99187	0.7
73.02820	1.2
75.00758	0.7
85.02825	1.8
87.00760	1.0
89.02290	0.4
89.03864	2.1
93.03361	0.4
95.01254	0.5
99.00779	0.9
101.02303	1.6
106.04131	0.4
113.02338	2.0
117.03356	6.7
119.04941	1.0
121.02873	0.7
122.03642	0.4
125.02326	0.4
132.02092	2.4
134.03632	93.0
135.03955	3.9
137.02332	0.9
145.02887	1.4
147.04410	1.1
148.05202	0.4
149.05986	7.3
150.06293	0.4
152.03424	1.6
160.01569	9.4
161.01942	0.4
161.04494	1.1
163.03940	0.8
175.03925	10.6
176.04240	0.4
178.02592	1.5
182.23314	0.4
193.04993	100.0
194.05325	5.8
196.56915	0.4
249.06120	0.6
267.07217	2.2
269.10364	0.9
333.09647	0.4
336.48831	0.4
383.13522	1.2
401.14536	0.5
413.10818	0.6
443.15723	0.9
517.19299	1.5
619.20508	2.1
663.23450	2.4
664.23407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51566	3.8
54.00723	3.4
57.03326	5.2
59.01250	17.0
61.98702	100.0
71.01257	9.4
71.53402	5.0
74.72959	3.6
75.00787	4.4
85.02850	4.5
87.00747	5.9
98.44344	3.9
101.02303	4.7
113.02354	7.6
117.03367	4.0
119.04909	4.6
121.02896	5.9
123.04453	5.0
134.03629	6.4
135.37560	4.7
137.02434	7.3
145.02873	12.4
146.03629	4.9
147.04433	33.3
148.05188	8.3
149.05939	4.9
162.06712	9.2
173.05989	5.6
175.03874	7.4
181.83980	3.9
191.03406	14.3
192.04167	4.7
193.04967	12.1
217.12325	15.2
245.11708	8.8
261.11249	10.6
281.12177	5.0
289.10901	27.6
290.11151	5.4
299.01993	6.4
329.06726	11.3
333.09912	52.2
334.10120	4.8
404.44067	4.3
413.16776	10.0
663.17950	4.9
663.28607	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	658.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45685	1.3
67.20357	1.5
76.04235	1.4
96.80237	1.7
100.87264	1.2
112.34322	1.4
126.86552	1.6
130.51738	1.7
133.94962	1.4
151.00269	5.9
163.00342	1.6
178.99792	3.8
204.03331	1.5
229.99983	1.5
239.59190	1.8
243.02921	5.9
247.02594	1.6
255.02985	15.8
260.78717	1.6
271.02478	37.4
272.03018	3.5
300.02768	75.8
301.03296	12.9
352.52487	1.5
406.61304	1.8
576.24872	1.5
595.13037	100.0
596.13391	17.6
624.40625	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	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95186	0.5
54.78944	0.4
57.03322	0.8
58.54279	0.4
59.01246	5.0
61.56858	0.5
61.98687	1.0
68.99694	0.6
69.03309	1.0
71.01254	5.3
71.54830	0.9
81.03337	2.0
83.04930	0.8
85.02818	4.0
86.72186	0.5
87.00741	3.1
89.02313	1.6
91.05399	0.5
93.03328	1.2
94.06490	0.5
95.01255	3.0
96.95915	0.9
97.02859	0.9
99.00764	1.2
100.33215	0.5
101.02315	2.0
108.02053	73.4
109.02853	36.9
110.03172	1.5
113.02375	2.9
117.03316	0.8
119.04916	1.1
121.02837	1.9
123.00777	2.3
123.04429	1.3
123.76062	0.5
125.02343	0.9
130.99742	0.8
132.02039	0.6
132.04456	0.8
133.02826	1.1
134.03633	15.7
134.05980	1.6
135.00769	0.6
135.04486	0.6
136.01563	0.7
137.02347	1.9
145.02872	1.0
146.03609	0.6
147.04414	2.4
149.02394	0.7
149.05992	2.8
150.06760	4.9
151.00290	0.7
151.03923	1.1
152.01060	64.2
153.01857	17.7
154.02135	1.0
159.04494	0.7
160.01564	1.7
161.02271	0.6
161.04372	0.6
163.03911	1.9
163.07622	0.8
165.01874	1.7
165.04063	0.5
165.12804	0.8
173.04497	0.6
173.06015	1.8
175.03923	3.4
178.02682	1.2
179.10696	2.0
183.13852	0.9
185.06024	0.9
186.06769	0.8
188.04700	0.8
189.01851	0.6
191.03366	1.1
192.04199	1.1
193.04990	18.9
194.05347	1.7
199.07687	0.7
200.04785	0.7
201.05421	0.5
209.11765	18.0
210.06764	0.6
210.12119	3.7
211.07718	0.6
211.13423	10.8
212.13722	0.8
227.07137	0.6
227.12910	2.0
227.16472	0.6
240.08153	0.6
241.08672	0.6
253.09224	2.1
313.23807	1.8
315.13660	1.1
357.17117	0.8
358.17804	0.6
359.23499	1.0
359.28027	19.3
360.28528	2.4
453.16071	1.0
480.34470	0.8
495.36887	8.8
496.37436	1.2
505.29663	0.6
551.30206	0.9
567.29346	0.7
569.31433	2.0
595.28949	0.8
611.28668	0.5
613.30426	0.9
621.27252	0.7
639.28754	2.0
640.28650	0.9
657.35193	100.0
658.35565	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	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
59.01250	8.3
61.98689	1.3
69.03340	1.4
70.73266	3.4
71.01251	4.4
80.02558	1.5
81.61994	1.1
81.75938	1.2
83.04897	4.0
85.02832	1.2
87.00750	3.6
89.02314	3.0
94.26528	1.1
95.04910	1.6
97.06503	1.1
101.02328	3.8
101.88196	1.1
113.02332	1.6
139.00296	1.9
146.03635	3.1
147.04416	2.9
149.06010	1.0
159.04401	12.9
160.05196	1.9
161.04517	1.7
161.05939	1.3
163.11201	2.7
165.12758	2.0
171.10135	2.7
172.05231	13.8
173.05989	14.6
174.06798	11.4
175.07329	1.6
183.13846	6.8
185.05991	12.9
186.06784	12.5
187.03905	3.6
187.07538	10.9
188.08246	1.8
191.03450	11.2
191.10733	1.4
193.12250	2.6
196.05215	7.6
196.60229	1.2
197.06056	7.5
198.06738	3.4
199.07550	5.8
200.04750	8.4
200.08331	5.9
201.05424	3.5
201.09114	13.8
204.04176	1.2
209.11775	100.0
210.06795	3.2
210.12190	6.7
211.07617	14.7
211.13345	97.1
212.04640	1.4
212.08136	2.0
212.13689	5.4
213.05536	5.0
213.09256	5.1
214.06279	6.8
215.07050	22.3
215.10565	2.3
216.07759	2.9
218.05759	2.2
223.07693	1.5
225.09143	1.5
227.07068	2.9
227.12779	13.0
229.08641	11.0
232.03654	2.2
235.08235	2.4
235.96791	1.3
241.12335	2.7
249.14972	3.1
253.09319	10.4
255.13803	2.1
259.06116	1.3
269.15421	3.8
271.13425	1.6
271.17264	1.9
283.13293	12.0
284.13882	1.3
288.13846	1.8
289.14468	3.1
295.13455	2.7
295.16876	1.8
297.14957	29.6
298.15204	3.9
301.14529	13.1
302.15103	3.3
311.12839	11.2
311.16541	5.0
313.03442	1.3
313.14468	2.9
313.17905	1.2
314.15173	4.2
315.16006	34.9
316.16370	3.3
321.14960	7.1
325.14575	5.3
327.16266	1.5
328.13116	1.4
329.14005	34.4
329.17636	3.3
330.14301	4.1
330.17990	1.8
339.15985	30.3
340.16650	10.7
341.17511	1.5
343.15646	7.2
344.15634	2.1
345.13443	1.6
357.17065	25.0
358.17798	18.0
359.14941	4.4
383.14801	2.6
384.15762	4.1
385.12756	1.8
401.15979	3.2
402.16656	3.7
409.12790	1.8
410.13614	2.6
427.13721	1.4
428.14853	7.5
446.15570	2.6
447.16449	1.5
447.22186	3.9
539.26392	2.6
551.30011	1.2
569.30658	3.0
613.30377	8.1
639.28162	3.3
657.29169	45.3
657.39539	2.0
658.29498	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	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41928	0.6
57.47079	0.6
59.01245	7.8
61.98698	1.2
67.22728	0.6
68.19337	0.7
69.03317	0.7
70.10717	2.4
71.01251	4.5
83.01236	1.0
83.04922	0.8
85.02818	1.6
87.00762	7.2
89.02317	2.9
91.43352	0.7
95.01266	0.9
97.06468	0.7
101.02328	6.1
109.06463	0.8
113.02335	2.3
119.03432	0.7
121.02817	0.6
125.02330	0.7
137.81589	0.7
147.04440	1.3
159.04414	0.8
161.04530	0.9
163.11093	0.9
165.12766	9.1
166.64258	0.6
167.14288	1.1
181.12328	0.8
183.13835	82.4
184.14166	4.5
185.06020	0.8
193.12247	1.8
199.07607	1.0
201.05612	1.1
209.11777	14.2
210.12035	1.3
211.13348	100.0
212.13710	6.2
227.10748	0.9
227.12859	7.1
235.08191	2.3
243.10274	1.3
244.10994	0.6
245.99803	0.6
253.09288	7.2
297.15161	0.9
309.20663	1.2
339.16052	0.8
419.23508	0.7
445.20609	1.5
447.22519	2.9
463.21967	4.2
657.35040	74.4
658.35498	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
59.01250	16.0
61.98676	4.2
69.20500	1.8
71.00901	2.1
71.01253	33.8
71.54655	2.4
81.03287	2.6
83.01221	1.5
83.04861	5.4
85.02807	4.4
87.00749	11.9
89.02289	3.9
93.03293	6.6
95.01208	1.6
96.95816	2.4
97.02798	1.8
99.00747	2.6
101.02264	6.1
108.01997	3.5
109.02797	3.5
109.06425	2.3
113.02287	5.7
117.03292	2.6
119.04858	3.5
121.02781	5.2
125.02319	1.9
130.99727	3.3
134.03568	7.7
135.04361	2.3
137.02238	5.2
139.03835	2.8
145.02794	3.1
146.03571	5.5
147.04399	10.9
148.05040	2.9
149.05930	4.2
151.00227	2.7
152.00914	2.8
157.06328	2.3
159.04314	5.3
160.05133	3.2
162.06715	3.8
163.03825	4.6
163.11086	3.3
165.12694	3.4
172.05135	5.2
173.05910	6.2
175.03809	5.6
178.99759	2.0
183.04356	4.7
183.13773	8.8
185.05893	5.1
185.11703	2.5
186.06804	8.9
187.03842	3.1
187.07416	5.4
188.04614	4.4
188.08202	2.6
189.05463	3.0
191.03476	2.1
192.04024	2.4
193.04973	8.9
196.05128	5.1
197.05936	9.0
198.06714	3.3
199.03795	2.6
199.07574	13.7
200.04680	4.4
200.08202	3.0
201.05353	7.3
201.09206	9.2
209.06042	3.5
209.11766	100.0
210.06709	4.3
210.12094	13.9
211.04063	3.6
211.07454	6.3
211.13353	85.3
212.04602	5.9
212.13586	4.3
213.05415	4.7
213.09109	16.0
214.06273	3.3
215.06868	5.8
215.10565	2.0
223.07545	4.7
224.04660	2.7
224.08194	2.3
225.05510	10.0
225.09015	6.0
226.06087	3.8
226.09662	2.5
227.06937	6.1
227.10669	3.8
227.12697	14.8
228.07600	2.6
229.08568	4.0
235.07793	3.3
237.09042	2.8
239.06847	5.8
240.07851	2.4
241.08667	19.6
249.14844	2.8
251.06952	5.5
252.11044	2.0
253.09212	10.5
253.11823	2.3
255.02794	4.3
265.08572	3.8
265.12201	2.4
267.06442	3.2
269.08157	10.1
283.02426	2.3
284.02878	2.8
285.03259	2.0
297.14642	3.4
298.04550	2.9
311.16214	6.1
313.03607	2.6
313.06934	4.1
314.07367	2.8
315.07635	3.1
315.15784	2.8
323.16153	2.4
325.14325	3.1
327.15775	2.5
329.13608	3.6
329.17444	6.2
339.16165	3.5
343.08200	2.7
343.15305	3.6
351.15671	3.8
356.19592	3.6
357.16760	7.4
365.17191	4.0
369.16876	2.7
371.18661	2.9
381.16876	2.5
383.18274	8.1
398.20441	2.4
401.15674	2.3
403.24283	2.5
405.73978	1.9
408.19382	3.4
417.15753	2.6
426.20175	6.3
457.25534	2.3
461.26343	2.1
471.27234	2.3
479.27963	2.6
495.36026	2.2
497.28580	5.1
500.26898	2.5
505.29260	2.4
523.30200	5.8
533.28546	5.3
539.26129	5.5
541.31152	7.2
551.30139	17.1
552.29877	2.5
569.31195	49.8
570.31665	8.7
581.23401	6.1
582.24072	2.2
595.29590	14.2
596.29132	2.9
613.29980	26.3
614.29871	4.0
621.25989	2.9
626.23334	3.0
639.27942	62.5
640.28503	11.5
657.14575	10.9
657.28552	85.6
658.29352	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54486	1.9
56.10334	2.0
57.03306	2.8
59.01252	21.0
61.98659	2.9
67.74300	2.2
69.03336	2.2
69.33526	5.2
69.33950	13.6
71.01257	33.1
75.23444	1.9
83.04868	5.6
85.02799	6.7
87.00761	11.2
89.02264	6.6
93.03320	3.2
95.04847	3.3
97.02788	2.7
99.00727	3.6
101.02312	10.5
108.01993	5.6
113.02265	4.6
119.04874	2.7
121.02784	5.7
122.05988	3.4
125.09624	2.4
126.31657	2.3
134.03571	9.9
137.02359	10.9
139.03897	2.6
146.03578	5.2
147.04340	7.6
148.05096	2.4
149.29405	2.3
150.06667	3.3
152.07066	2.4
153.01759	2.9
159.04431	4.8
160.05203	3.4
161.05858	2.6
162.06665	2.6
163.07457	2.4
165.01662	2.1
171.10123	5.6
172.05112	6.4
173.05928	6.5
174.03110	2.7
175.03813	3.5
182.14034	2.0
183.04353	4.6
183.13725	7.6
185.05864	5.8
186.03026	3.0
186.06653	7.6
187.03886	4.2
187.07440	3.9
188.04587	4.4
191.03374	2.8
193.04997	12.7
196.05087	3.4
197.05865	9.1
198.06636	3.8
199.07607	12.8
200.04605	5.1
200.08243	3.0
201.05469	5.5
201.09203	14.1
202.06078	3.1
209.05917	5.5
209.11761	94.3
210.06682	3.8
210.12051	17.0
211.03822	8.1
211.07448	7.5
211.13379	58.8
212.08093	4.2
212.13501	3.6
213.05284	2.3
213.09186	11.8
214.06227	4.2
215.06889	3.4
223.07712	3.1
224.04657	3.2
225.05501	12.9
225.09039	7.1
226.06244	2.5
227.06978	9.0
227.10690	3.3
227.12709	10.4
228.12979	2.7
229.08569	4.5
233.15331	2.9
237.09067	4.7
239.06990	4.1
241.08632	23.8
242.08968	3.3
243.10139	2.8
249.14735	4.2
251.06886	4.5
253.04758	2.2
253.09377	10.0
254.05772	2.3
257.08231	3.0
265.08749	2.3
269.08145	15.0
311.16370	4.3
316.13080	2.9
321.14902	2.2
325.14288	4.4
329.13751	2.8
329.17419	5.3
339.15765	5.1
340.16333	2.5
343.07941	3.2
351.15900	4.3
355.18903	3.4
357.16745	6.4
365.17230	3.7
367.15393	2.8
369.16794	3.0
383.18286	7.2
397.16052	4.4
398.20810	2.9
401.15863	2.5
421.25479	4.0
426.20111	6.0
489.61169	2.2
495.36603	6.3
497.28568	5.2
523.29742	3.5
533.28821	4.8
539.25781	6.2
541.31360	6.0
551.30286	18.1
552.29340	4.0
569.31281	55.9
570.31799	12.6
581.23907	7.4
595.29132	14.6
596.28601	2.9
613.30182	30.5
614.30011	4.9
625.23120	4.3
639.27991	73.5
640.28583	17.1
657.28589	100.0
658.29382	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	657.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19119	6.6
69.19449	0.8
70.59702	0.7
70.73437	0.6
71.01244	2.6
85.02829	2.3
93.03315	0.9
95.01272	1.7
101.02335	1.2
107.04908	0.7
108.02053	65.0
109.02863	21.6
113.02309	1.4
121.02829	0.9
123.00774	0.7
123.04357	0.9
135.00742	0.7
139.94966	0.7
151.03893	1.6
152.01056	57.2
153.01842	25.0
154.02106	0.9
163.03906	2.6
165.01822	2.5
209.50330	0.6
239.34396	0.7
315.07214	100.0
316.07526	7.4
495.11661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.4
59.01250	50.7
61.98710	3.7
67.05402	1.3
71.01264	7.0
71.54173	2.4
75.00762	3.5
84.09583	1.2
85.02834	4.3
87.00744	6.8
89.02317	2.8
89.27750	1.4
93.03355	1.8
96.95889	28.0
99.00743	3.7
99.04395	1.7
101.02316	5.1
107.04878	1.6
113.02325	5.2
117.03326	1.5
119.08545	4.6
121.02834	1.6
123.00782	7.2
124.01574	6.6
134.03641	17.0
135.08066	2.4
135.11638	2.4
136.05759	1.2
137.02341	2.3
137.09618	12.0
138.03098	3.2
139.00285	2.0
139.03920	8.7
147.79449	1.4
149.02411	2.0
149.06006	3.2
160.01625	2.3
161.02280	2.2
161.04453	5.0
161.09621	3.2
163.03831	1.4
163.07616	1.6
165.04025	1.4
175.03911	4.9
179.10683	5.8
181.08624	21.9
191.05553	1.8
193.04990	29.4
194.05272	2.6
197.11777	28.4
198.12062	1.6
219.02939	1.4
223.09804	7.0
223.85803	1.5
241.10800	26.9
301.09308	2.1
332.53146	1.6
343.08151	2.3
415.12567	2.7
433.13562	16.4
455.61588	1.4
465.17459	2.8
557.41705	1.5
567.94354	1.6
657.24054	100.0
658.24481	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	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04711	0.5
57.03292	0.5
59.01252	6.5
61.98703	1.8
63.74800	0.5
67.01772	0.8
71.01254	1.9
71.12359	0.5
71.54697	0.7
75.00758	0.7
79.05406	0.6
85.02803	1.0
87.00751	3.3
89.02289	0.6
89.17596	0.5
93.03329	0.5
93.91949	0.5
95.04949	0.7
96.85493	0.4
101.02339	1.0
108.04402	0.6
113.02353	0.7
120.04436	3.0
121.02869	1.1
121.05257	2.7
122.06024	7.1
125.02363	0.8
130.99802	0.8
132.04456	1.2
134.03632	5.3
134.06035	2.0
135.03906	0.6
135.06786	1.6
136.07581	10.7
137.02293	1.3
139.03899	0.5
147.04445	0.9
148.05034	0.6
149.05977	1.3
150.06770	1.0
151.00290	0.7
152.07115	2.3
153.01817	1.0
160.01590	0.8
161.07137	0.8
171.11731	2.0
175.03908	1.3
179.10710	0.9
186.09145	0.7
190.05035	3.3
193.05025	6.5
194.05377	1.1
198.09131	1.3
199.10001	1.1
209.11768	6.6
211.13370	6.9
214.07401	1.0
214.12331	10.9
215.12589	0.7
226.18484	0.5
227.08321	2.6
228.08871	0.7
229.09811	4.7
230.11823	4.4
236.08313	0.5
239.03607	0.6
241.09822	8.2
242.10559	15.4
243.05257	0.8
243.10867	1.6
253.09377	1.0
255.02927	1.5
257.12936	84.1
258.13287	6.2
281.09457	0.6
283.02505	3.3
284.03201	1.5
299.10284	1.1
301.11929	100.0
302.12244	8.1
313.03455	2.2
329.06519	0.8
329.23309	0.7
343.08087	3.3
355.12973	5.6
436.19830	0.6
445.07974	0.8
446.08276	1.6
495.36929	2.0
563.22839	1.6
581.23639	1.5
625.22998	0.8
657.20593	1.6
657.38574	1.5
658.21924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	12.8
61.98705	5.7
63.84320	1.1
69.03358	2.2
71.01248	10.9
73.02847	3.1
81.03350	1.4
83.01311	1.4
83.04883	1.7
85.02847	5.0
87.00735	8.4
89.02323	7.6
95.04888	2.6
96.95914	1.9
97.02818	6.8
97.06454	2.4
99.00781	2.4
101.02333	10.1
107.04961	1.7
109.02853	1.7
109.06481	16.0
111.00732	1.6
113.02369	4.0
119.03458	2.1
123.04402	2.4
125.02408	1.6
135.04469	5.9
135.08112	3.8
136.05206	2.3
145.05130	1.5
147.04440	2.9
149.05972	2.0
161.04544	3.9
163.11201	9.6
165.12799	5.6
171.10208	3.6
175.07625	1.9
179.05548	1.7
181.12320	3.0
183.13831	47.2
184.14156	3.5
185.11832	4.3
186.06796	1.6
193.12256	2.7
201.09215	1.3
207.10220	47.0
208.10687	2.9
209.11789	82.5
210.12187	5.0
211.13353	100.0
212.13783	5.2
215.07172	1.4
215.10704	1.7
221.15504	2.1
223.13408	2.7
225.11275	23.0
225.13272	1.6
227.12946	6.3
232.53471	1.4
233.11845	1.8
235.08163	10.2
237.15331	1.5
244.11243	2.3
244.75507	1.5
247.13461	3.2
249.15074	3.0
251.12889	1.7
253.09282	16.8
295.09830	3.4
301.10928	1.6
325.10959	1.8
339.23532	3.2
353.14130	4.1
357.24597	1.5
373.23993	4.4
383.22073	9.0
391.24991	4.5
401.23212	16.9
402.23999	2.2
419.24332	8.2
443.19458	3.4
445.21146	2.0
447.22247	2.5
461.13968	1.6
461.19812	6.8
493.28058	1.8
597.21399	3.9
609.33301	4.2
619.31458	4.7
637.32379	37.6
638.32733	4.3
655.33734	77.4
656.34174	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	657.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43442	1.3
52.30906	1.3
54.14844	1.6
59.01237	1.7
60.22347	1.5
61.98675	1.8
69.23615	11.1
70.50381	1.4
71.01266	1.9
90.49396	1.3
134.03662	1.9
150.03053	1.5
193.04926	6.8
211.13153	1.4
226.02594	1.6
227.03352	3.5
237.25212	1.4
238.88245	1.3
242.02184	2.4
255.02963	20.7
256.03427	2.3
269.04544	12.4
270.01654	6.7
270.04587	2.3
281.04504	1.4
283.02457	27.7
284.02975	3.0
285.04016	6.2
297.04047	36.8
298.01321	3.0
298.04678	20.8
299.05188	2.1
313.03510	31.9
313.07132	100.0
314.04156	2.4
314.07446	7.9
314.51581	1.6
327.05347	1.4
328.05740	10.7
329.05957	1.7
343.08200	58.3
344.08408	5.1
404.74933	1.7
478.87198	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	657.167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06689	3.4
71.01275	6.6
71.52708	3.8
73.99980	3.1
87.00724	4.0
88.78448	3.0
93.03359	3.8
95.01243	3.5
106.65507	3.5
107.01264	5.3
108.02053	59.1
108.02737	6.3
109.02859	18.1
121.02837	6.5
123.00764	8.4
124.01534	3.6
137.02403	4.3
149.02434	3.7
150.03203	3.7
151.99911	6.6
152.01064	77.0
153.01906	21.6
153.05496	4.8
166.02602	4.7
166.99785	5.2
181.01334	5.3
182.02048	6.0
183.02925	21.1
186.14487	3.5
197.04439	12.5
203.28979	3.4
238.54156	3.6
283.14215	3.8
327.07233	8.2
341.08673	9.0
397.21729	4.0
451.11841	4.1
495.11438	100.0
496.11716	15.8
537.12134	5.9
657.16998	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45044	1.1
57.03318	1.6
59.01250	18.9
61.98700	3.3
69.03324	5.7
71.01252	9.7
71.04892	1.6
72.99155	1.3
73.02840	2.4
83.01276	1.9
83.04331	1.0
83.04874	2.2
85.02821	4.7
87.00748	6.4
89.02312	6.3
93.03311	1.3
95.04929	1.1
97.02856	1.2
97.06457	1.8
98.19860	3.1
99.00747	1.2
101.02321	6.8
109.02891	1.0
109.06468	2.9
111.08025	3.1
113.02325	3.8
119.03384	1.7
121.02827	2.0
134.06046	1.4
134.43040	1.0
145.04974	1.3
147.04427	3.5
151.11366	1.3
153.09048	1.9
161.04520	2.9
161.05804	1.3
163.11198	3.1
165.12776	20.2
166.13081	1.3
169.12289	1.9
175.03926	1.2
177.09157	1.1
181.12263	8.2
183.13837	98.8
184.14171	4.8
187.03880	1.2
191.10713	12.1
192.04227	1.7
193.04959	1.4
207.10237	8.7
209.11778	84.4
210.12135	4.5
211.13387	17.3
217.08473	1.2
225.11240	6.2
227.12827	11.3
235.08154	4.3
245.63416	1.2
253.09296	10.1
254.09819	1.3
278.26346	1.1
313.03400	1.6
328.05298	1.4
342.07343	1.3
343.08014	2.6
344.08334	3.1
344.63138	1.3
401.23502	2.2
419.23691	1.6
445.20743	9.9
461.20120	2.4
463.21793	7.2
637.32239	5.9
638.32477	1.6
649.95276	1.3
655.33258	100.0
656.33643	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	655.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67160	0.6
52.03277	0.8
54.67345	0.7
55.01757	1.1
57.03322	1.9
59.01254	10.7
61.98692	2.5
69.03329	0.9
71.01264	6.8
71.09774	1.6
72.99164	1.5
73.02814	2.6
80.96393	2.0
83.04923	1.5
85.02820	3.3
87.00749	13.7
88.98676	2.6
89.02319	2.6
89.03834	1.1
91.05407	1.1
93.03336	2.1
93.29276	0.7
94.97900	0.7
99.00751	1.6
101.02313	4.0
102.80151	0.9
107.04897	1.1
108.02057	1.1
109.02840	0.9
111.00710	0.9
113.02316	2.9
117.03335	4.4
119.03360	1.0
119.04903	2.5
121.02849	3.9
122.03610	3.3
125.02325	2.3
130.99750	1.8
132.02058	1.7
132.62187	0.7
134.03632	74.1
135.04031	2.8
137.02339	4.8
145.02864	1.0
146.03671	1.4
147.04420	9.8
148.05096	2.8
149.02257	0.8
149.06001	10.4
150.06355	1.0
151.03944	1.0
159.04424	1.7
160.01564	9.9
161.04466	1.8
161.09688	1.4
163.03847	3.7
163.11221	0.9
164.04637	1.0
173.04512	1.2
175.03925	11.4
176.04233	1.4
177.02037	0.8
187.03934	1.3
187.11226	1.9
189.09073	1.2
191.03421	2.3
192.04240	3.6
193.04996	100.0
194.05319	6.0
201.05402	1.1
203.07042	0.8
205.12291	1.3
207.10193	1.3
209.09891	1.5
209.11786	24.6
210.12111	1.4
211.07385	0.8
211.13272	2.7
214.43390	0.8
227.12752	1.5
249.11345	0.9
254.04388	0.9
261.13458	1.0
283.13446	0.8
313.03531	1.2
343.08157	1.3
444.07092	1.1
449.17300	0.9
481.27756	0.9
574.03601	1.0
611.23511	3.2
612.24609	0.9
619.33478	0.9
624.23718	1.1
625.74408	0.7
637.32349	1.5
640.60925	0.8
646.23676	3.5
646.74091	2.2
654.73596	0.9
655.33759	10.7
655.74200	1.8
656.24469	1.1
656.33838	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	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	1.7
57.31319	0.7
59.01250	8.2
61.98676	1.6
68.99692	1.3
69.03300	1.6
69.24361	4.7
69.24783	2.1
70.28926	0.7
71.01256	6.5
73.02818	1.0
75.00717	0.7
79.05425	0.7
81.03320	2.0
83.04891	3.1
85.02827	4.3
86.85030	0.9
87.00748	16.6
89.02305	2.6
91.05386	2.7
93.03324	3.3
95.01256	2.4
95.04888	2.0
96.95857	1.4
99.00748	0.9
101.02323	3.6
103.05405	1.8
105.03333	4.3
107.04897	1.2
108.02054	61.7
109.02852	33.6
109.03604	1.3
113.02325	2.3
117.03346	0.9
119.04920	4.6
121.02840	9.2
122.03582	2.9
123.00784	1.8
123.04407	1.7
125.02332	1.5
130.99768	4.8
132.01985	0.8
133.02827	1.6
134.03625	1.7
135.04443	1.3
137.02357	5.5
139.03877	2.1
145.02855	2.4
146.03607	3.0
147.04422	30.3
148.05209	5.3
149.02325	1.3
149.05957	2.6
150.03154	0.9
150.06754	1.3
151.00310	1.1
151.03842	1.0
152.01056	58.0
153.01854	18.7
160.01741	0.8
163.03929	3.5
163.11145	2.2
165.01772	1.3
165.12694	0.8
171.10133	1.7
175.03899	1.8
186.06735	0.8
191.03400	6.4
191.10660	1.4
192.04199	7.1
193.04936	2.9
207.02802	0.9
209.11769	57.6
210.12198	3.5
211.13333	8.2
217.01360	1.1
218.02162	5.1
227.03351	0.9
227.12791	3.3
227.16393	1.9
235.08054	1.6
236.03123	1.0
241.05174	0.8
242.02109	1.2
253.09215	2.4
254.04294	1.5
255.02957	10.2
255.79146	0.9
256.03305	1.2
269.04526	5.0
270.01801	1.8
270.04828	1.6
283.02475	13.6
284.02774	1.5
285.03922	1.2
297.04050	18.4
298.04785	13.6
299.05035	2.0
313.03522	5.0
313.07104	31.1
314.07501	2.9
327.25433	1.3
328.05777	1.6
343.08206	2.8
357.26471	15.2
358.26794	1.4
359.28046	1.6
401.22903	0.9
419.04132	6.1
419.24313	0.8
420.04471	1.3
445.20819	1.2
449.08649	2.6
493.35464	2.1
527.95624	0.9
624.23993	3.2
624.73914	1.6
625.10089	0.9
637.32343	1.7
646.23798	5.1
646.73822	3.4
647.23956	1.3
655.15149	48.9
655.33282	100.0
655.74164	4.0
656.15192	14.5
656.33582	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	655.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.8
61.37091	0.5
61.98685	1.0
71.01247	1.7
71.54087	0.6
75.00751	1.4
85.02853	0.5
87.00768	2.4
89.02309	0.7
89.03872	0.7
89.79488	0.4
89.97097	0.6
93.03321	0.8
99.00777	0.8
101.02349	1.0
103.01804	0.5
108.02076	1.1
109.02852	1.5
109.35696	0.5
113.02337	1.2
117.03385	1.7
119.04966	0.8
121.02848	2.1
123.04386	1.5
131.01295	5.5
133.02844	1.2
134.02644	1.1
134.03642	19.5
135.04002	0.6
136.01569	1.4
137.02391	1.1
145.02866	0.6
147.04482	0.8
148.01596	4.7
149.02379	8.0
149.06001	2.6
150.03108	0.5
151.03923	2.2
151.55234	0.4
152.01024	0.6
153.01872	0.6
161.02371	11.0
163.03941	1.1
173.02382	1.1
175.00304	14.1
175.03960	1.1
176.01082	20.1
177.01813	2.8
177.09363	0.6
178.02600	2.5
189.01877	37.2
190.02234	1.5
191.03503	0.5
191.05482	0.6
193.05009	15.9
194.05432	1.2
202.99800	2.8
204.00610	1.0
224.04810	0.6
251.03625	0.7
252.04208	0.6
253.05011	0.9
263.03439	0.6
265.04916	0.7
267.07156	0.8
279.02991	1.2
280.03751	14.8
281.04404	2.1
282.05350	6.6
283.05640	0.6
285.07675	1.6
295.06201	4.0
296.06448	1.2
297.07672	4.1
298.04828	5.1
298.08008	0.8
307.02576	0.8
308.03265	1.4
313.03827	1.6
313.07190	36.6
314.03937	1.4
314.07562	2.3
323.05423	2.3
329.06387	0.7
341.06686	100.0
342.07040	11.2
343.08426	2.7
344.08618	3.6
355.08292	0.6
383.07800	0.6
461.10925	2.9
466.85162	0.5
606.61768	0.7
655.16071	0.7
655.27448	1.5
655.38330	0.7
683.35260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32323	0.7
56.29644	0.8
59.01250	9.7
61.98701	1.9
71.01256	5.6
71.54525	0.9
73.02815	1.1
75.00754	2.1
83.01255	1.4
85.02827	2.5
85.68634	0.8
87.00764	6.9
89.02301	1.8
93.03325	1.0
95.01263	1.1
96.95905	0.8
97.02815	1.0
99.00748	1.7
101.02325	2.3
109.02888	1.0
109.06434	1.2
109.12830	0.7
111.00737	0.9
113.02330	3.5
119.04916	3.0
121.02835	3.1
122.02341	1.0
122.03701	0.7
125.02313	1.0
130.99803	1.4
133.02791	0.8
134.03625	4.0
135.08076	1.3
135.26675	0.8
137.02370	6.0
139.03952	1.2
145.02876	1.1
146.03705	0.9
147.04425	7.2
147.93607	0.7
148.05203	1.8
149.05930	2.3
151.00284	2.4
161.04504	1.0
163.03896	3.2
163.07524	1.6
165.03999	1.5
171.10196	2.0
173.04564	0.7
173.05998	1.5
175.03894	2.1
175.07509	0.8
183.13841	3.3
191.03362	2.1
192.04196	4.2
193.05008	5.4
198.03152	1.3
199.04045	1.1
199.07648	0.9
201.02061	0.9
201.05545	0.9
207.10178	2.8
209.11768	12.5
210.03157	2.3
210.06793	1.0
211.03961	1.8
211.13393	7.3
213.01807	1.0
213.05447	1.0
214.02618	0.8
215.03328	1.4
215.07037	0.9
224.04774	1.0
225.05602	1.9
225.09309	0.9
225.11201	4.4
226.02686	3.1
227.03500	3.5
227.06972	0.9
227.12909	1.1
235.08269	1.0
236.03354	1.8
238.02556	0.9
239.03477	3.4
239.07173	0.9
240.04202	1.5
241.01395	1.5
241.04919	1.6
242.02225	2.7
253.01419	2.0
253.09224	1.7
254.02167	4.3
255.02951	20.6
256.03357	1.5
257.04446	1.1
264.09055	0.9
266.02335	1.7
267.02951	2.1
268.03574	2.2
269.01004	2.3
269.04556	16.4
270.01672	7.3
270.04703	1.7
280.06757	0.9
281.01031	1.2
281.04538	1.5
282.01849	1.4
283.02484	26.8
284.03046	3.6
284.06470	1.3
285.04044	12.0
296.03391	1.2
297.00705	2.0
297.04044	35.4
298.01227	2.9
298.04733	23.3
299.02316	1.3
299.05426	5.5
311.02127	1.4
312.02750	2.6
312.06448	2.5
313.03519	59.6
313.07193	68.1
314.03879	4.3
314.07605	6.4
327.05118	9.2
327.08755	1.0
328.05841	21.1
329.06354	3.2
342.07452	2.1
343.08218	67.6
344.08572	7.2
370.58255	0.9
373.88879	0.9
377.41873	0.8
401.23386	1.4
493.21490	0.8
493.35263	2.0
507.20493	1.6
507.70987	1.1
508.20718	0.8
579.22614	1.0
625.09729	2.9
637.32141	3.4
640.11841	1.9
644.48688	0.8
655.14557	100.0
655.23340	4.2
655.41876	3.8
656.14929	18.6
656.24420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.2
68.99673	0.8
69.03309	0.5
69.13026	0.5
71.01246	1.9
77.40527	0.5
78.50025	0.5
78.55398	0.4
81.03329	0.6
85.02823	1.1
87.00748	8.1
89.02318	0.8
91.05412	0.9
93.03328	0.6
95.04872	0.7
98.19813	1.7
101.02301	1.6
103.05432	0.9
104.89111	0.5
105.03339	1.6
108.02051	7.3
109.02839	4.4
113.02341	1.1
119.04887	2.5
121.02855	3.8
122.03662	2.3
123.04407	0.6
129.03343	0.6
130.98778	0.6
130.99745	2.3
133.02818	0.6
134.03639	1.4
135.04410	0.4
137.02347	4.3
139.03928	1.1
143.62712	0.5
145.02864	0.7
146.03619	0.8
147.00851	0.4
147.04427	14.1
148.05246	2.7
149.02301	0.5
149.05933	1.4
151.04001	0.6
152.01048	6.4
153.01811	1.8
159.04472	0.4
162.03139	0.8
163.03893	1.4
163.11227	0.9
164.29109	0.4
165.05518	0.7
165.12752	0.6
171.10217	0.6
175.00230	0.5
175.03789	0.7
187.07614	0.6
191.03465	2.7
192.04228	2.5
193.04967	1.8
209.11771	27.8
211.03976	1.1
211.13364	3.5
218.02190	2.4
225.05521	0.8
227.03520	1.9
227.12810	1.7
229.01456	0.7
230.19986	0.8
239.03534	1.0
253.09261	1.0
254.04407	1.0
255.00206	0.9
255.02959	18.1
256.03363	0.9
267.02884	0.7
268.03806	0.6
269.04565	14.3
270.04926	1.2
281.04602	0.7
283.02475	26.9
284.02924	1.6
292.85892	0.5
295.02478	0.8
297.04031	34.8
298.04761	24.1
299.02182	0.5
299.05112	2.4
313.07169	62.3
314.07535	5.5
320.03226	0.5
332.03220	1.1
343.08234	0.7
356.28745	0.5
357.26358	1.3
366.78241	0.5
376.02170	1.9
391.04175	2.2
407.07770	0.9
418.06998	0.7
419.03983	10.5
420.04428	0.8
433.05685	1.3
434.06378	1.4
435.06970	1.0
446.26212	0.5
449.08807	4.0
567.16382	0.6
597.10492	0.9
615.23663	0.6
624.23962	1.3
625.09607	1.8
637.32111	0.7
639.11053	0.6
640.12366	1.7
641.12506	0.8
646.23810	2.2
646.74097	1.6
655.14575	100.0
655.33246	10.5
655.74719	1.9
656.14899	18.9
656.23883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93421	0.8
59.01248	7.7
61.47459	0.8
61.98710	1.5
71.01257	5.4
73.02852	0.9
83.04892	1.2
85.02829	1.5
87.00748	15.9
88.01087	1.1
89.02304	2.3
91.05405	2.9
92.04839	0.8
93.03336	2.2
95.04911	1.1
99.00732	1.4
101.02324	2.4
105.03342	2.3
108.02053	4.2
109.02824	2.9
113.02308	1.9
119.04926	4.7
121.02863	6.7
122.03598	2.8
123.04415	1.0
130.99789	4.9
134.03558	1.7
136.07565	1.1
137.02333	7.4
139.03871	0.9
145.02855	1.8
146.03644	0.9
147.04419	21.3
148.05220	4.1
149.02313	1.3
149.05940	2.0
152.01096	2.5
161.04413	1.6
163.03912	2.3
163.11166	1.1
177.01927	1.2
179.05638	0.8
180.21388	0.8
183.13766	1.0
187.03862	0.9
191.03426	4.8
192.04218	5.3
193.05006	2.5
198.03433	0.7
202.02744	1.0
209.11775	42.4
210.03181	1.0
210.12189	1.0
211.13394	5.5
212.13766	1.1
213.05525	1.2
218.02184	3.1
225.05489	1.2
226.02707	3.6
227.03387	1.9
227.12846	4.1
239.03354	2.2
242.02211	3.3
253.09300	2.5
254.02141	2.4
254.04388	1.5
255.02995	2.4
257.12848	1.5
267.02869	1.3
269.04526	1.7
270.01660	8.9
271.02255	1.4
283.02579	4.3
285.04138	12.3
297.04010	4.8
298.01147	2.7
298.04773	4.1
299.05701	1.4
299.21252	0.9
312.02567	1.0
312.06265	1.2
313.03592	57.2
313.07150	7.1
314.03946	3.3
325.07257	1.2
327.05127	4.6
328.05914	20.3
329.06274	2.5
343.08221	48.6
344.08496	4.5
361.03537	3.6
375.04782	1.3
389.02853	2.3
403.04611	3.6
404.05185	1.9
419.07785	3.5
445.21167	1.3
493.35526	1.2
597.10327	1.1
624.24310	1.4
624.74951	1.0
625.10345	2.4
640.12195	1.6
646.23358	3.8
646.74603	1.5
655.14630	100.0
655.22357	3.8
655.32788	4.3
655.42395	6.3
656.14893	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32557	0.7
56.44513	0.8
57.03319	1.1
59.01247	2.8
61.98707	17.8
71.01246	1.4
71.53395	1.4
82.21067	0.9
85.02822	1.8
87.00761	5.1
89.02316	1.0
93.03369	0.9
95.01261	1.0
108.02055	1.2
109.02827	2.3
113.02332	1.1
119.04894	0.8
121.02808	1.3
123.04361	1.3
125.02355	0.9
130.99843	0.9
133.02849	1.3
134.03609	2.6
136.05013	0.9
137.02341	4.4
148.01541	1.0
149.02333	2.4
149.05965	1.0
152.00899	0.9
153.01801	2.0
161.02283	1.6
173.04451	1.2
175.03918	1.3
176.01079	1.6
185.02519	0.9
189.01822	2.2
193.04953	2.5
210.03233	2.1
225.05602	0.9
226.02673	2.9
229.01297	1.1
230.02063	1.1
234.94505	0.9
242.02206	2.7
254.02167	1.9
255.02933	1.0
269.04483	1.4
270.01645	6.4
284.03186	1.0
285.04141	11.6
286.04431	1.5
297.03976	2.3
298.01398	4.0
298.04385	1.1
299.05579	1.8
313.03555	53.1
313.06952	3.2
314.03903	5.2
327.05222	4.3
328.05869	23.8
329.06366	2.7
341.06769	4.9
343.08203	100.0
344.08603	12.0
391.16992	1.0
479.10172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74451	0.2
55.01762	1.4
57.03331	1.1
58.00465	2.0
59.01253	41.4
60.01584	0.5
61.98703	0.9
63.52605	0.1
67.01775	0.3
68.99681	0.5
69.03333	2.2
71.01256	38.7
71.53215	0.3
72.01591	0.6
72.99177	3.6
73.02819	5.8
75.00745	0.9
78.70296	0.2
81.03330	1.9
83.01255	4.2
84.02036	0.3
85.02823	7.7
85.99969	0.4
86.03153	0.2
87.00756	10.0
87.04390	0.3
87.88463	0.2
89.02319	33.0
89.84168	0.2
90.02666	0.5
91.03886	0.8
93.03350	0.5
94.81104	0.2
95.01263	2.7
95.04908	0.3
97.02833	6.2
99.00760	2.8
99.01353	0.2
99.04402	0.5
101.02325	31.1
102.02673	0.7
103.03928	0.4
104.88745	0.2
107.03371	0.2
109.02836	0.8
111.00781	0.7
111.04413	1.1
112.01509	0.3
113.02335	15.0
114.02666	0.6
115.03883	1.0
119.03393	10.7
120.03695	0.2
121.02820	0.7
123.00819	0.4
123.04424	0.4
124.01560	0.4
125.02341	13.3
126.02683	0.4
127.03931	0.6
129.01833	0.3
131.03407	1.9
133.04979	1.1
135.04379	0.4
137.02361	0.3
137.70323	0.2
139.03949	0.9
141.01845	0.6
143.03407	6.5
144.03702	0.3
149.02351	0.2
149.04396	0.9
159.02927	0.2
161.04475	7.6
162.04790	0.3
163.03928	0.3
167.03487	0.8
169.05002	0.5
171.02985	0.4
179.05539	6.4
185.04483	0.6
191.03490	0.3
199.06107	0.5
203.05550	0.4
207.10266	0.2
209.11743	0.2
217.07193	1.3
219.05128	0.4
221.06619	2.3
235.08203	13.3
236.08566	0.7
245.06630	1.1
253.09271	3.3
254.09517	0.3
255.23279	100.0
256.23611	9.0
263.07733	1.6
269.06372	0.2
269.24878	0.6
277.09317	0.8
287.07736	3.2
288.08148	0.2
297.24521	0.2
305.08768	3.7
306.09409	0.3
323.09824	1.9
353.49774	0.2
361.11453	0.6
379.12607	1.1
384.54037	0.2
397.13504	78.5
398.08505	0.3
398.13803	7.2
415.14575	29.9
416.14957	3.0
417.15070	0.2
478.19479	0.2
545.21985	0.4
553.77795	0.2
621.23480	0.3
636.49152	0.2
653.26147	1.4
653.37360	0.4
654.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03325	1.3
58.00463	2.2
58.16195	0.3
59.01251	43.4
60.01587	0.6
61.98712	0.6
62.48787	0.2
68.99684	0.3
69.03323	2.4
71.01254	37.1
72.01600	0.6
72.99183	3.0
73.02819	5.8
73.03192	0.4
74.03069	0.2
75.00741	1.0
81.03337	1.5
83.01258	3.9
83.04893	0.3
85.02825	8.2
85.99951	0.5
87.00750	9.0
87.04398	0.4
89.02318	32.4
90.02650	0.4
91.03893	0.6
95.01267	2.3
97.02831	6.7
99.00758	2.4
99.04409	0.3
101.02325	30.7
102.02678	0.7
103.03899	0.3
109.02853	0.5
111.00751	0.7
111.04407	1.3
113.02328	14.4
114.02625	0.3
115.03930	0.7
119.03390	9.8
119.36141	0.3
121.02876	0.6
123.04418	0.3
124.01546	0.4
125.02335	13.0
126.02665	0.5
127.03873	0.5
129.01805	0.4
131.03358	1.6
133.04987	1.3
137.02310	0.3
139.03893	1.0
141.01833	1.0
143.03404	6.4
145.04974	0.3
149.02386	0.4
149.04456	1.0
151.03839	0.3
161.04469	7.2
161.05827	0.5
167.03432	0.4
169.04948	0.3
171.02962	0.5
179.05522	6.3
180.05878	0.3
181.04990	0.3
185.04515	0.7
199.06071	0.6
203.05573	0.4
217.07166	1.3
219.05087	0.5
221.06641	2.2
229.94653	0.3
235.08189	13.4
236.08485	0.8
245.06671	0.7
253.09244	3.4
255.23265	100.0
256.23615	9.1
263.07730	1.9
269.24814	0.6
277.09274	0.8
287.07745	3.2
288.08173	0.4
300.80942	0.2
303.33768	0.3
305.08746	3.7
323.09787	1.7
361.11264	0.7
379.12451	1.2
397.13483	79.4
398.13852	7.0
398.18350	0.2
415.14572	30.3
416.14905	2.6
553.49811	0.4
653.37671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	73.4
71.01251	61.6
71.01620	4.8
72.99164	3.7
73.02832	14.3
73.14282	2.6
85.02840	5.6
87.00773	3.9
89.02319	100.0
90.44975	2.9
93.03352	9.4
99.00749	29.5
101.02319	40.8
111.04391	4.2
113.02344	10.7
119.03435	4.2
124.11482	2.6
125.02338	2.8
131.03423	14.2
137.02350	30.4
143.03400	3.3
147.06557	4.3
149.04449	64.7
161.04440	6.9
163.03873	2.8
167.63644	3.2
173.04503	8.0
191.05536	29.2
193.80577	3.0
204.71587	2.9
221.06540	5.4
309.12128	13.6
310.12299	7.4
311.07532	6.6
311.12595	6.6
311.16119	6.0
341.10910	5.4
390.99936	3.2
598.89325	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1722
Annotation	6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01260	4.6
69.03315	0.9
71.01250	3.4
72.41787	0.7
73.02822	1.3
79.37863	0.7
85.02828	2.1
87.00751	2.0
89.02316	2.6
99.00749	1.8
101.02303	1.3
107.01279	1.2
108.02058	15.7
109.02874	5.0
111.00712	1.2
121.02854	1.8
123.00790	2.9
123.04379	0.9
124.01546	3.4
125.02316	3.1
134.03680	1.0
136.98701	0.9
139.00256	0.9
148.01552	1.0
149.02316	4.6
149.04510	1.7
150.03064	1.1
151.00327	3.6
152.01070	27.1
153.01758	2.3
163.03873	1.8
164.04657	2.6
164.98206	1.0
165.98984	0.8
166.02661	0.8
177.01820	1.8
187.53719	0.7
191.03499	1.5
191.05467	1.2
193.04956	1.4
200.04726	0.8
205.05011	1.5
209.04543	3.3
210.05049	0.8
214.02644	1.3
223.06119	1.7
226.02702	1.3
227.03166	0.9
242.01982	3.8
243.03014	0.9
248.70958	0.8
257.04526	1.4
258.01660	2.4
260.84406	0.9
269.00873	0.8
270.01672	2.1
273.04028	0.9
283.02457	1.4
285.03961	3.7
286.01141	2.6
297.00381	1.3
298.01135	1.0
299.01962	2.4
300.02811	0.9
301.03552	10.7
303.08765	1.1
311.02136	0.8
313.03580	3.8
314.00638	1.8
314.03983	1.3
315.04379	1.4
315.08539	1.4
329.03012	27.1
329.06482	1.3
330.03336	2.3
331.08234	3.1
343.04416	2.2
343.08313	3.0
344.05307	10.9
344.08844	1.7
345.08945	1.8
358.06595	2.2
359.07703	100.0
360.08075	11.4
401.08859	0.8
429.05142	0.9
429.10110	4.3
447.11469	11.1
448.11682	1.0
626.17926	1.8
653.17224	26.7
654.17743	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	653.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
59.01257	10.0
59.21468	0.7
61.98703	1.4
69.03329	0.8
71.01263	6.4
71.54210	1.3
73.02822	1.8
75.00740	4.0
83.01299	1.1
85.02830	2.4
87.00759	7.0
89.02319	5.7
91.47229	0.8
93.03356	1.3
95.01260	1.2
96.95912	0.7
97.06477	0.8
97.70197	0.7
99.00765	3.4
101.02336	5.5
107.04937	0.7
108.02058	1.8
109.02874	1.6
111.00780	0.9
113.02314	2.2
119.04914	1.6
121.02890	1.6
122.37542	0.8
123.00744	1.4
123.04382	0.9
124.01536	2.5
125.02343	3.1
131.03442	1.5
134.03685	4.0
137.02327	2.4
145.02831	0.9
146.03581	0.8
147.04416	2.6
148.05122	0.9
149.04471	4.1
149.05975	3.1
151.00322	3.9
152.01051	1.4
153.01849	1.6
159.04448	1.5
160.01572	0.9
161.02400	0.8
163.03923	2.0
165.04008	1.1
173.06015	1.5
175.03860	2.9
177.01837	1.1
185.02383	0.9
185.06003	1.2
187.03937	1.3
189.01910	1.3
189.05530	1.2
191.03500	0.8
191.05544	1.9
193.05083	4.0
201.05396	0.9
211.03902	1.1
213.01892	1.8
215.03433	1.5
215.07147	1.0
226.02635	2.0
227.03436	1.4
228.04118	0.9
229.01399	2.2
229.04897	1.1
229.08702	0.9
230.02162	2.2
241.01421	2.3
241.04877	1.1
242.02176	3.2
243.02797	1.0
243.10106	1.0
244.03745	1.5
245.04347	0.9
255.03069	1.4
256.03647	1.5
257.00772	1.1
257.04572	1.0
258.01624	2.7
260.06976	1.0
269.00848	2.6
270.01660	3.1
271.02368	2.7
271.05927	1.1
272.03201	1.3
273.03885	1.3
283.02505	2.7
284.03088	1.8
285.00797	1.5
285.04010	8.4
286.01245	3.6
297.00406	3.0
298.01157	1.5
299.01956	4.5
299.05276	1.4
300.02621	2.2
300.06351	3.4
301.03629	9.7
302.03857	0.9
311.01929	3.5
312.02582	1.3
313.00159	1.3
313.03497	9.7
314.00674	4.8
314.04160	3.2
315.01282	0.9
315.04999	2.9
315.08743	2.9
316.05682	1.0
326.04340	0.9
327.05182	1.7
328.02133	4.4
328.05872	2.1
329.03064	42.3
329.06604	3.3
330.03323	4.8
330.06860	1.0
331.08151	2.3
341.06552	3.8
343.04501	5.2
343.08304	6.5
344.05295	21.3
344.08548	1.3
345.05725	2.4
357.05994	0.9
358.06931	11.4
359.07721	79.8
360.08136	9.4
447.16678	5.8
448.17279	0.9
505.13718	2.6
595.28149	0.8
621.13361	1.2
623.14209	1.2
635.16248	1.2
636.15747	0.9
653.17224	100.0
654.17493	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
60.44498	2.7
61.98690	3.3
69.84431	15.8
71.01247	6.6
73.02817	8.2
76.41066	3.2
80.65525	2.7
83.01237	4.8
85.02820	6.1
87.00701	3.5
88.72164	2.8
89.02314	8.2
93.03352	5.9
95.01244	7.2
98.19894	5.4
99.00759	28.5
107.01273	5.2
109.02825	14.6
113.02315	4.3
121.02851	9.0
123.00777	9.4
124.01559	2.9
125.02334	6.6
133.02856	5.2
134.02368	8.3
135.00743	6.1
135.04379	3.3
137.02338	14.6
139.00191	3.9
139.03897	6.5
146.02339	3.7
147.03207	3.6
148.01556	20.2
149.02327	23.9
151.00244	15.3
152.01042	4.1
158.02370	4.4
161.02373	5.6
162.01907	27.3
163.00246	10.0
163.02602	7.8
164.01044	5.4
164.03394	13.5
175.00307	6.4
176.01064	7.5
176.03377	5.3
177.01851	81.0
178.02089	3.3
178.08740	3.0
178.99763	11.5
181.01234	3.2
181.67761	2.8
186.01917	17.1
189.01868	3.7
190.01396	11.1
191.02150	20.3
192.00682	5.1
197.04694	2.7
199.03853	6.0
202.01341	7.1
202.99852	6.4
203.01894	3.4
204.02951	85.2
205.03374	5.3
215.03452	4.3
218.00905	3.1
227.03432	10.0
230.00879	13.4
242.02205	3.7
243.02951	7.1
247.01208	5.9
255.02896	4.5
256.03552	3.6
266.04562	6.1
267.02979	3.2
271.02396	17.6
272.02945	5.4
273.04077	4.1
284.03125	6.5
285.03699	5.0
287.02029	3.4
294.04108	16.8
299.02017	28.0
300.02573	6.4
310.03503	6.9
311.04324	8.2
313.03436	11.5
314.04211	3.5
316.02173	10.9
317.03070	13.6
322.03571	100.0
323.03912	10.0
339.03842	35.7
340.01083	3.0
340.04590	54.4
341.04840	3.4
356.03665	3.6
357.04852	15.0
358.05609	4.1
437.86005	3.6
475.10727	8.9
487.10904	17.4
516.13580	80.4
517.13782	11.5
542.11511	52.9
543.11823	4.6
609.14612	4.2
634.14117	63.3
635.14258	9.4
652.15326	64.2
653.15289	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	651.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15886	0.8
52.50798	0.9
55.01759	2.1
57.03326	7.9
57.70493	0.7
59.01251	78.2
60.01583	1.3
61.98706	1.2
69.25969	9.0
71.01254	22.1
72.99176	1.4
73.02821	9.1
74.11854	1.0
75.00747	1.6
76.25919	0.9
83.01251	2.3
83.04872	2.6
83.93803	0.9
85.02819	9.6
86.03098	0.9
87.00742	8.6
89.02321	3.1
94.74415	0.9
95.01242	0.8
97.06483	2.5
99.00770	5.8
101.02332	14.6
102.02586	0.9
102.68505	1.0
107.04919	7.1
113.02333	9.8
119.04890	3.7
120.05704	2.5
121.02860	5.6
121.03634	1.2
125.02334	3.1
135.04401	3.2
143.03387	1.5
145.02776	1.4
147.04395	2.1
149.05888	1.3
159.02872	2.5
161.04457	12.4
161.09630	12.8
161.13280	7.7
163.03964	4.5
163.11168	8.4
179.10667	1.0
181.52509	1.0
184.25546	1.1
187.11208	17.3
188.11546	1.3
189.09187	6.2
205.12286	14.3
207.10217	9.8
208.10486	1.3
223.13348	34.1
224.13634	1.8
231.10208	1.1
243.10123	0.9
249.08727	1.4
249.11287	22.0
250.11649	2.0
267.12387	15.0
269.10291	13.4
270.10718	1.0
289.98682	0.9
383.13452	1.7
401.14508	51.8
402.14777	4.5
430.92618	1.0
628.78479	1.1
633.25586	2.0
651.26575	100.0
652.26923	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	651.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24464	1.7
55.01738	3.0
57.03316	9.9
59.01250	100.0
71.01255	30.7
72.99197	3.6
73.02814	11.0
73.95138	1.8
81.71564	2.2
83.01244	4.2
83.04904	2.2
85.02843	11.7
87.00753	28.7
89.02321	5.1
97.03776	1.7
97.06470	2.5
99.00748	8.7
101.02313	22.4
107.04921	9.1
113.02325	14.5
116.49734	2.2
116.92731	3.1
119.04935	5.1
120.05694	2.4
125.02345	2.8
131.03432	2.0
134.03624	7.1
135.04402	5.9
145.02808	3.9
147.04443	5.0
148.05191	2.4
149.05991	2.9
151.43524	1.9
159.02911	2.1
160.01601	2.7
161.04472	11.7
161.09648	16.1
161.13229	9.3
163.03883	5.8
163.11186	10.8
163.71107	2.1
165.03970	3.3
173.05956	2.2
174.03842	1.7
175.03813	1.9
178.44513	1.8
187.11201	23.0
189.09213	8.9
193.04973	6.9
203.10681	2.4
205.12314	19.1
207.10179	15.0
223.13345	50.2
224.13687	5.6
231.10158	2.8
244.36008	1.8
249.11304	23.8
257.41513	2.1
267.12402	18.3
269.10266	11.9
366.09796	2.2
383.13766	2.2
401.14520	71.6
402.14911	6.6
607.36932	2.6
615.99756	2.3
651.26532	98.8
651.36224	3.7
652.26752	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	651.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60925	1.8
51.72843	1.6
55.01765	2.8
57.03308	7.1
59.01253	99.5
61.87580	1.9
61.98687	1.6
63.56052	1.6
67.11758	1.5
71.01254	29.1
71.21885	1.8
72.01605	1.9
72.99184	2.7
73.02816	12.0
73.27815	1.8
75.00745	2.7
79.34486	1.7
83.01270	3.4
83.04918	2.9
85.02825	15.3
87.00754	31.9
89.02314	4.6
93.03374	2.2
95.01211	1.9
97.02831	2.7
97.06489	3.7
99.00759	5.5
101.02332	22.0
107.04906	8.8
113.02345	14.0
117.03334	2.2
118.08294	1.7
119.04879	5.3
120.05720	4.1
121.02830	4.9
125.02330	2.2
129.10703	1.8
130.99721	5.1
134.03642	8.0
135.04407	5.6
137.02382	2.5
145.02838	4.2
147.04388	7.7
149.05971	2.5
159.02980	3.4
159.04385	2.3
159.08054	1.9
160.01563	3.1
161.04462	11.1
161.09592	16.0
161.13287	11.4
163.03896	8.2
163.11208	8.5
165.05421	1.8
167.91077	1.9
175.03938	3.3
187.07755	2.2
187.11224	25.0
189.09108	11.2
193.04988	9.0
203.10536	2.1
205.12262	21.2
207.10196	19.5
219.02919	2.6
223.13354	54.0
224.13715	3.6
243.36275	2.0
249.11293	23.5
267.12396	24.1
269.10248	14.4
366.09576	2.2
401.14548	76.0
402.14886	5.2
431.16422	1.8
456.22684	2.1
533.28613	2.1
548.22339	2.1
607.36890	2.0
633.25745	2.3
651.26495	100.0
652.26917	22.9
684.24835	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34287	0.6
59.01255	6.0
62.87148	0.5
65.03840	2.7
67.01754	0.7
71.01272	2.3
71.01845	1.0
73.02817	0.9
78.95784	0.9
85.02824	0.9
87.00774	2.2
89.03828	0.7
91.05410	6.1
93.03339	1.6
95.01245	0.9
95.04912	0.6
99.00770	1.1
101.02354	1.3
108.02055	5.2
109.02840	37.0
109.06425	0.6
110.03192	0.9
113.02332	1.0
114.05505	0.6
117.03346	2.3
119.04973	0.8
121.01996	0.6
121.02831	10.2
122.03652	1.1
123.04407	8.2
124.04755	0.6
125.02351	0.8
132.02071	19.7
133.02895	4.0
134.03630	43.5
135.04419	42.1
136.04750	2.1
137.02353	3.7
139.03903	1.8
145.02814	1.0
146.03629	1.3
147.04416	12.8
148.05316	2.5
149.05988	17.7
150.06288	1.2
151.03926	1.3
159.04396	1.4
159.57861	0.5
160.01572	77.6
161.01889	4.2
163.03905	1.7
173.05981	0.8
174.03154	1.2
175.03925	100.0
176.04228	6.0
178.02605	5.0
186.06781	1.3
189.05463	1.0
191.03444	0.6
192.04198	2.8
193.04988	72.1
194.05363	3.9
194.06984	0.8
197.05984	2.7
199.03966	0.7
202.02632	1.2
203.07111	0.9
203.10704	0.8
211.07539	0.9
212.08357	1.7
213.05594	1.3
214.06288	1.7
215.06882	0.7
217.04953	3.2
227.10637	0.8
229.08656	2.1
236.03214	1.3
237.03976	1.1
238.06352	2.6
239.06953	1.7
241.05089	2.6
253.08755	2.6
255.06616	1.2
256.07294	4.0
271.09750	87.1
272.10089	7.6
281.08264	0.7
295.09708	1.7
313.07144	0.8
319.08490	0.6
325.10687	0.7
379.10330	39.4
380.10718	3.6
447.14429	2.1
447.23810	1.1
457.15067	0.7
607.37958	0.6
651.20453	12.4
651.28125	0.9
651.38049	1.2
652.21124	2.6
661.87164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.6
59.01248	9.9
65.03828	2.4
70.72797	1.5
71.01249	4.5
72.99188	1.2
73.02853	0.8
75.00745	2.0
78.25577	0.7
78.95770	1.0
83.01252	1.2
85.02843	1.5
87.00749	6.2
88.98663	1.1
89.02334	1.7
89.03836	1.1
91.05394	4.4
91.83097	0.8
93.03341	3.3
99.00763	2.3
101.02327	2.4
108.02039	4.3
109.02834	27.4
111.00748	0.9
113.02302	3.4
117.03345	3.8
119.04925	3.0
121.02844	19.0
122.03702	1.0
123.00759	1.0
123.04394	6.2
124.01582	0.9
125.02337	26.2
130.77727	0.8
132.02077	21.3
133.02823	3.9
134.03633	44.1
135.04425	37.4
136.04779	1.2
137.02338	7.9
139.03917	2.4
145.02856	3.4
146.03618	1.7
147.04419	17.9
148.05196	6.3
149.05988	14.1
150.06396	1.0
159.04485	1.4
160.01572	81.7
161.01894	4.3
163.03885	3.3
165.04008	1.1
173.05855	1.1
174.03075	1.8
175.03925	100.0
176.04214	4.3
177.01807	1.4
178.02458	1.5
187.07286	0.8
191.03329	1.4
192.04196	7.7
193.04993	81.5
194.05330	3.7
197.05977	2.6
199.03891	1.3
202.02704	1.2
207.02966	0.9
211.07527	1.1
213.05505	1.2
214.06308	3.0
217.05043	2.9
223.13597	0.9
229.08708	2.7
236.03253	3.3
241.05112	3.1
253.08708	1.4
256.07385	3.8
257.08090	1.6
271.09753	81.1
272.10049	7.1
301.07217	15.4
302.07330	0.9
313.03394	1.1
357.06192	1.1
364.07782	1.3
379.10342	48.9
380.10483	4.1
538.90625	1.0
607.36456	1.5
651.20215	13.6
651.38147	1.3
652.21344	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	651.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65297	0.3
54.57967	0.3
59.01257	5.3
60.64526	0.4
65.03841	0.7
71.01249	1.3
71.03168	0.9
71.03520	0.4
72.75507	0.3
73.02832	0.7
78.95793	0.7
79.99032	0.3
85.02751	0.4
87.00766	0.7
91.05407	2.4
93.03339	1.0
94.47180	0.3
96.02060	0.5
97.02864	0.7
99.00807	0.4
101.29755	0.4
104.02517	0.4
108.02045	1.9
109.02838	12.8
110.03164	0.5
110.15060	0.4
111.00790	0.4
113.02319	0.6
117.03353	2.1
119.04868	0.6
121.01961	0.9
121.02845	17.2
122.03663	4.1
123.04434	3.8
125.02325	0.5
132.02071	25.9
133.02914	4.9
134.03635	29.5
135.04437	18.6
136.04666	0.4
137.02336	1.2
139.03864	0.4
147.04416	4.1
148.01643	0.4
148.05157	0.5
149.05988	8.8
149.39577	0.4
150.06378	0.6
159.04439	1.1
160.01573	97.5
161.02327	11.9
161.05986	0.5
162.02794	0.6
163.03932	0.6
172.05298	0.5
173.02361	0.4
173.06044	0.4
174.03149	0.8
175.03928	100.0
176.04268	5.3
177.01808	0.5
178.02631	2.9
179.03426	1.5
186.06755	0.6
189.05516	0.6
191.06934	0.4
193.05002	37.1
194.05339	2.1
197.05956	0.5
199.03957	0.5
202.02722	1.7
211.07483	0.6
212.08427	0.6
214.06265	0.9
217.05017	2.6
229.08673	1.2
238.06306	0.7
241.05070	1.2
253.08754	0.8
256.07324	1.6
271.09756	50.2
272.10101	4.6
285.11295	0.6
295.09818	2.0
319.08258	0.6
325.10828	1.2
337.09598	0.7
365.08734	5.8
366.09192	0.4
379.10342	35.3
380.10672	3.9
397.12894	1.5
415.13989	0.7
457.14954	3.9
575.21338	0.4
591.18518	1.2
609.19849	0.7
651.20825	38.7
652.21283	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	651.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00987	0.5
59.01251	4.6
65.03815	1.8
67.01745	0.5
69.52478	0.7
69.52864	2.0
71.01254	1.4
73.02821	0.6
81.03352	0.3
81.41264	0.3
83.01286	0.3
87.00741	0.8
88.85670	0.3
89.03852	0.4
91.05413	5.1
93.03342	1.3
95.01278	0.7
97.02827	0.4
98.03182	0.3
101.02364	0.3
105.03307	0.3
108.02055	3.2
109.02834	23.6
110.03202	0.8
113.02274	0.4
117.03349	1.7
119.04910	0.6
121.02837	9.4
121.03681	0.6
123.04404	5.2
132.02065	23.2
133.02908	3.7
134.03629	32.1
135.04414	47.6
136.01450	0.3
136.04762	1.5
137.02347	0.8
145.02892	0.5
146.03670	0.7
147.04419	6.3
148.05179	0.4
149.05988	14.7
150.06314	0.5
159.04437	0.7
160.01567	85.3
161.02325	11.0
162.02632	0.4
173.06010	0.4
174.03148	1.0
175.03918	100.0
176.04262	5.5
177.05423	0.4
178.02620	3.4
179.03421	2.0
186.06770	0.9
188.04695	0.7
189.05484	0.9
191.07034	0.4
193.04990	41.0
194.05331	2.6
197.05997	1.6
202.02701	1.8
203.03401	0.9
203.07129	0.4
203.10670	0.7
212.08324	1.0
213.05513	0.5
214.06313	1.3
217.04910	2.3
227.03581	0.5
229.08662	1.1
238.06361	1.5
241.04984	1.9
242.05760	0.5
253.08595	2.1
255.06575	0.6
256.07291	2.5
271.09738	61.5
272.10101	5.2
283.09818	0.5
285.11340	0.6
295.09659	2.0
313.10666	0.5
319.08142	0.5
325.10764	1.3
337.10788	0.3
353.10336	0.4
365.08716	5.3
366.09076	0.5
370.11649	0.3
379.10324	28.9
380.10550	3.0
397.12906	1.6
415.13943	0.6
457.15024	5.3
458.15265	0.6
651.20813	25.1
652.21075	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	651.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77387	0.3
54.52394	0.4
57.03331	0.5
57.69233	0.4
59.01252	9.6
61.19801	0.4
61.98707	3.4
65.03835	1.6
67.01763	0.5
71.01267	2.2
85.02820	1.3
87.00749	2.6
89.02338	0.6
91.05402	4.7
93.03352	1.6
95.01223	0.5
95.04935	0.4
96.95888	0.4
97.02819	0.5
98.19648	0.4
99.00761	0.6
101.02333	1.0
105.03348	1.1
107.04886	0.5
107.81989	0.4
108.02047	3.2
109.02834	17.1
110.03179	0.6
111.00738	0.6
113.02333	1.1
117.03389	0.9
119.04922	1.4
121.02841	10.6
123.04393	4.5
130.99693	0.6
132.02065	23.2
133.02869	10.0
134.03635	23.7
135.04416	40.7
136.01660	0.6
136.04762	2.0
137.02356	2.8
139.03893	0.7
140.45038	0.5
145.02844	1.2
146.03616	0.6
147.04433	8.1
148.05179	1.0
149.05994	13.8
149.07207	0.8
150.06297	0.8
153.05438	0.4
159.04399	1.2
160.01567	92.8
161.02310	9.7
161.05855	0.5
163.04007	0.9
171.04407	0.5
172.05191	0.6
173.06020	0.8
174.03140	0.9
175.03920	100.0
176.04247	5.1
177.01842	2.5
177.05438	0.5
178.02638	2.3
179.03394	1.6
185.06021	0.7
186.06723	0.9
187.03932	1.0
188.04573	0.7
189.05367	0.6
191.03357	0.8
192.04214	1.4
193.04976	21.6
194.05412	1.0
194.07188	0.5
196.05093	0.4
197.06015	2.1
199.03841	0.5
200.04713	0.7
200.08264	0.4
201.05473	1.0
201.09140	1.2
203.03510	0.5
203.06987	0.6
203.10619	0.5
207.02795	0.5
209.11708	0.9
211.13347	0.6
212.08392	0.9
213.05588	0.8
214.06235	1.6
215.06990	0.6
217.05045	0.8
223.13367	1.8
225.08875	0.4
227.03493	0.5
229.08640	1.2
231.06750	0.5
235.80714	0.4
238.06310	1.2
241.05025	1.4
243.10284	0.8
245.08107	1.0
253.08601	1.6
255.06664	0.7
256.07370	1.8
259.05978	0.5
271.09741	52.8
272.10092	4.9
285.11288	1.0
295.09796	0.9
304.05832	1.0
305.06619	0.9
319.08224	3.7
323.07721	0.6
337.09198	2.8
364.07877	2.7
365.08789	6.3
366.09256	0.6
379.10318	54.5
380.10574	5.5
397.12961	3.0
415.14017	3.2
447.23190	0.5
457.14987	2.3
458.14825	0.5
591.18713	8.7
592.19012	1.5
609.19958	1.9
651.20618	16.3
651.37769	0.7
652.21002	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	651.1938
Annotation	Lethedioside B
Peak:m/z	Relative Intensity
55.01762	0.4
55.35296	0.2
57.03328	0.4
59.01251	4.4
60.99210	0.3
68.99697	0.7
69.20142	2.3
69.20543	0.3
71.01257	4.8
72.66116	0.2
72.99190	1.7
73.02825	0.9
75.00381	0.4
75.00738	1.9
81.03288	0.3
83.01269	0.6
85.02834	4.1
87.00743	2.3
89.02321	1.4
89.03831	2.1
93.03339	0.8
95.01259	1.1
99.00759	2.4
101.02344	1.0
103.00168	0.3
106.04129	0.5
108.02048	0.3
109.02824	0.5
111.00800	0.4
113.02333	5.4
115.22973	0.3
117.01834	0.5
117.03348	5.6
118.03719	0.3
119.04923	0.5
121.02876	0.5
123.00774	3.2
123.04472	0.3
124.01571	6.5
125.02274	0.3
129.01872	0.7
132.02065	2.1
133.02893	0.3
134.03638	78.9
135.03954	3.8
137.02348	2.1
138.03180	1.5
139.02835	0.4
139.03917	6.4
143.03287	0.3
145.02873	0.3
147.04439	0.6
149.02365	0.3
149.05991	7.9
150.03131	0.2
160.01579	6.5
161.04518	0.6
163.03865	0.6
164.04474	0.3
167.03427	0.4
173.04489	0.5
174.03169	1.0
175.02499	0.5
175.03928	10.4
176.04259	0.5
178.02634	4.4
179.03258	0.3
191.05391	0.4
193.05002	100.0
194.05338	4.9
200.44116	0.3
203.03568	0.4
231.05107	0.4
235.06110	0.4
237.05461	0.3
249.06122	3.5
251.07130	0.4
267.07242	6.9
268.07492	0.3
275.07748	0.3
279.06638	0.6
282.05420	0.6
295.06027	0.5
297.07654	1.0
309.07571	0.6
309.11282	0.6
310.04953	0.3
312.09964	0.3
322.04892	0.3
323.05362	0.3
337.07166	1.1
338.08008	0.6
339.08777	0.8
351.08890	0.3
352.09546	0.4
353.06531	0.6
353.10303	1.2
356.09073	0.5
357.09946	0.3
368.08884	0.8
371.11435	0.8
383.11414	4.7
384.11523	0.4
401.12714	0.3
415.12488	2.5
457.13748	1.0
475.14404	1.3
485.13007	0.5
601.15051	0.5
615.17169	0.5
621.18317	3.1
622.18848	0.7
633.18213	5.8
634.18573	1.1
651.19189	6.2
652.19421	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	650.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07767	0.3
53.09341	0.3
59.01260	2.8
59.65815	0.3
61.98705	1.1
66.72780	0.3
71.01262	1.2
71.54482	0.6
72.99186	1.7
73.02822	0.5
75.00769	0.4
85.02831	0.8
87.00748	1.7
88.98684	0.4
89.02322	0.7
89.03863	1.5
93.03364	0.6
101.02385	0.4
102.71626	0.3
108.02051	7.1
111.00793	0.5
113.02350	1.3
117.03362	5.0
119.04934	1.3
121.02808	0.9
125.09648	0.4
129.01816	0.4
132.02086	2.0
133.02840	0.5
134.03639	78.0
135.03958	3.1
137.02382	2.2
138.01877	79.0
139.02202	2.0
139.03947	0.9
145.02866	0.8
147.04486	0.8
147.68785	0.4
149.04616	0.7
149.06001	8.3
150.03157	0.5
160.01579	7.9
163.03899	2.9
165.03983	0.6
173.04500	0.4
173.06049	0.3
175.03935	9.4
178.02631	9.3
178.75700	0.3
180.02908	0.6
191.03487	0.4
191.05475	0.5
193.04999	100.0
194.05325	5.3
252.24306	0.4
268.03928	0.5
300.73190	0.4
343.08112	0.5
381.06314	0.4
414.10507	3.5
443.98154	0.4
456.11777	0.5
474.12378	2.3
476.29868	0.4
478.62604	0.5
650.17572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.2
59.01252	1.8
69.38866	0.7
71.01249	0.7
72.99191	0.1
73.02820	0.3
77.03844	0.3
83.01241	0.1
85.02827	0.4
87.00755	1.0
89.02316	0.6
93.03341	0.6
99.00726	0.2
101.02307	0.6
108.02107	0.1
113.02325	0.4
116.92693	0.1
119.04915	0.2
121.02848	100.0
122.03175	3.7
125.02323	0.3
130.99709	0.1
131.03421	0.2
133.02771	0.1
134.03668	0.4
135.04448	0.1
137.02342	0.3
139.03906	0.1
145.02829	0.3
147.04453	0.5
148.05244	0.2
149.04451	0.3
149.05952	0.3
159.04434	0.2
160.01605	0.2
161.04387	0.1
163.03929	0.4
172.05287	0.2
173.04420	0.1
173.06033	0.3
175.03955	0.2
175.07539	0.3
185.06029	0.1
186.06741	0.1
187.03986	0.1
187.07596	0.2
189.09094	0.1
191.03484	0.2
192.04233	0.1
193.05008	0.5
196.05173	0.1
199.07491	0.2
200.04826	0.1
200.08348	0.1
201.09154	0.4
202.06258	0.1
203.05554	0.1
209.11746	0.2
210.81535	0.1
211.07658	0.1
211.13351	0.3
213.05534	0.1
214.06255	0.2
215.07031	0.3
218.02287	0.1
225.09184	0.1
229.08676	0.1
243.10223	0.7
245.08188	0.1
255.02937	0.1
258.66644	0.1
269.04520	0.1
271.13565	0.1
284.03229	1.3
285.03766	0.1
297.15073	0.3
299.05640	1.5
300.05881	0.2
313.03638	0.2
315.15939	0.1
339.16064	0.2
343.08206	0.3
351.62537	0.1
357.17407	0.1
403.17444	0.1
431.21054	0.2
432.21594	0.1
447.16736	0.2
485.23956	0.6
486.24399	0.1
573.26825	0.1
574.26892	0.1
617.26514	0.1
631.25415	0.1
649.28156	0.7
650.28760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42808	0.4
55.01733	0.6
57.03320	4.0
59.01250	58.2
60.01595	0.6
60.39821	0.4
61.98701	0.7
67.05397	0.7
69.03339	0.5
70.07806	1.3
71.01254	9.2
71.04878	1.3
72.99152	0.6
73.02814	2.8
75.00755	1.3
79.05439	0.5
83.01232	1.1
83.04883	0.8
85.02824	6.0
87.00744	3.0
89.02323	1.7
93.03320	0.5
96.95896	0.4
97.02834	0.9
97.06496	0.6
99.00755	3.5
99.04388	2.1
101.02319	4.7
108.02038	0.5
109.02829	0.5
111.00769	0.5
113.02320	5.0
119.04919	0.6
119.08556	2.6
121.02880	0.8
121.06472	0.9
125.02338	0.9
133.10124	1.1
133.23810	0.5
134.03564	0.6
135.04437	0.8
135.08035	1.6
135.11665	0.8
137.02374	1.0
137.09616	9.5
143.03343	0.6
147.04420	0.9
147.06554	0.8
149.05930	0.6
155.06943	0.5
159.02936	1.0
159.04341	0.5
161.04454	6.6
161.09633	2.9
163.03943	0.8
163.07631	2.1
165.04007	0.7
173.04521	1.0
175.03989	0.4
179.10698	4.7
181.08624	17.8
182.08928	0.6
191.05490	0.8
193.05104	1.1
196.27321	0.5
197.11772	24.2
198.12083	1.7
202.39095	0.4
205.08667	0.5
223.09694	5.0
229.01331	0.5
241.10777	22.0
242.11142	1.4
267.07132	0.5
277.14636	0.5
291.10800	0.6
313.03336	0.6
397.17111	1.0
405.13953	1.3
423.15042	15.9
424.15424	1.8
629.24353	2.0
647.25525	100.0
648.25842	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	648.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46001	0.3
54.18259	0.3
59.01252	2.8
61.36132	0.4
69.65265	1.6
71.01254	13.1
71.04892	7.5
72.99166	0.6
73.02809	2.5
77.68507	0.3
78.33627	0.4
81.03325	0.4
85.02831	1.5
87.00768	0.7
88.03920	0.7
89.02322	1.9
93.03338	0.7
93.07548	0.4
95.01261	1.2
95.27390	0.4
99.00738	1.7
99.04395	2.6
101.02378	0.6
101.05974	0.5
107.04881	0.4
108.02052	39.5
109.02859	13.5
110.03147	0.7
113.02338	0.8
116.03418	0.4
116.07069	1.0
121.02858	1.2
123.00835	0.6
123.04416	0.8
125.02379	0.4
128.07059	0.4
129.05484	1.1
131.03380	0.8
133.02818	0.5
134.03593	0.7
135.00694	0.5
135.04404	1.1
136.93207	0.4
146.08130	39.5
147.08463	1.2
151.03928	1.9
152.01057	53.7
153.01849	21.5
154.02209	0.9
163.03925	4.2
165.01842	0.9
177.01865	0.4
181.05083	0.5
191.05511	0.4
193.05035	1.0
195.02928	0.5
207.03017	0.4
233.10350	1.4
278.12512	2.0
297.06268	1.8
315.07211	6.3
316.07465	0.4
332.13837	0.5
350.14438	2.3
355.12152	0.4
369.08279	5.4
370.08636	0.5
386.11227	0.4
414.58917	0.4
426.11191	0.4
491.85742	0.4
516.16351	0.4
648.21423	100.0
649.21790	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	647.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70068	0.1
59.01256	0.7
61.98703	0.1
70.49254	0.1
71.01289	0.3
73.02850	0.1
75.00803	0.1
85.02805	0.1
87.00751	1.0
91.01827	0.3
98.19760	0.2
101.02299	0.1
108.02065	0.1
109.02753	0.1
113.02350	0.2
117.03352	0.2
119.04943	0.1
121.02867	0.2
130.99780	0.4
132.02071	4.3
134.03645	1.3
135.00760	0.9
137.02353	0.3
138.92540	0.1
145.02876	0.2
147.04404	0.6
148.05243	0.2
149.05984	0.3
153.01868	0.3
160.00232	0.2
160.01581	4.7
161.01982	0.2
163.03995	0.3
167.04964	0.2
175.03929	4.2
176.04291	0.2
180.05849	0.1
182.03581	0.1
191.03468	0.2
192.04167	0.3
193.05016	1.4
195.04456	1.6
196.05104	0.2
208.05234	1.5
209.05592	0.1
211.13391	0.2
223.03973	6.0
224.04721	2.7
225.05052	0.2
236.12563	0.1
249.05946	0.1
251.03506	5.0
252.04271	57.1
253.04604	4.6
254.04210	0.1
258.46024	0.1
267.06628	100.0
268.06964	8.2
358.42651	0.1
379.10330	0.8
403.40546	0.1
501.23300	0.4
647.17267	0.2
647.26984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26416	1.0
56.64556	1.1
59.01253	9.7
61.98697	5.3
71.01244	6.3
72.99193	1.3
73.02821	2.3
75.00742	2.1
85.02818	2.7
87.00745	9.7
89.02309	2.2
89.03835	1.8
93.03362	5.5
93.85907	1.1
95.01292	1.2
96.95883	10.4
97.07861	1.2
98.19765	2.3
99.00778	2.0
101.02313	2.4
108.02023	2.0
109.02815	3.3
113.02323	3.3
117.03364	6.3
119.04922	6.1
121.02816	2.0
123.04406	1.3
123.64062	1.0
125.02318	1.2
132.02036	4.2
133.02812	2.3
133.06503	3.1
134.03624	76.0
135.02974	1.1
135.03979	4.2
137.02342	18.1
145.02786	1.8
146.03670	1.1
147.04408	3.0
149.02353	3.3
149.05954	8.3
151.03873	3.8
152.01021	1.3
153.01770	1.4
155.03447	1.3
160.01555	16.0
161.02319	5.2
163.03955	7.0
165.01825	1.4
173.04460	2.7
175.03918	17.1
176.04356	1.8
177.01775	1.7
177.05441	3.5
178.02603	3.0
187.07619	1.7
189.01903	1.8
191.03458	1.3
191.05478	2.2
193.04990	100.0
194.05334	5.0
203.03366	2.8
205.01419	1.7
217.05125	1.0
272.62793	1.1
286.08597	1.8
293.12540	1.2
300.02847	1.8
313.03629	1.7
319.08459	1.6
342.07425	1.7
343.08212	2.5
365.14093	1.4
379.10455	1.7
479.09747	9.6
480.10413	1.8
523.11890	1.3
547.08704	2.6
558.15167	1.3
570.10571	2.1
601.21240	1.7
645.18848	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	643.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	16.0
65.00195	16.2
68.51366	4.8
69.03334	6.6
71.01254	10.4
73.02815	6.5
83.01260	11.1
85.02843	5.2
87.00745	7.6
92.51549	4.8
93.03326	8.1
95.01263	15.7
96.99206	6.0
99.00764	33.5
101.02343	5.7
107.01245	9.1
109.02832	25.2
111.00739	26.7
113.02335	6.7
117.03331	6.3
121.02869	10.7
123.00774	22.5
124.98747	5.6
125.02326	15.6
127.00289	11.8
133.02875	7.7
135.00769	7.0
135.04353	6.5
137.02356	22.6
138.99306	7.3
139.00238	35.7
145.02847	6.6
147.04381	6.4
149.02388	11.9
149.99449	5.7
151.00259	32.4
152.01054	10.4
153.01874	9.4
154.99776	50.8
159.04408	15.7
161.02382	18.4
163.00302	14.1
163.03888	7.0
164.01070	10.8
164.98195	8.4
165.01839	15.5
165.98952	13.5
166.99756	29.1
171.04393	7.0
172.05418	5.2
173.02353	9.0
174.03073	7.0
175.03865	11.7
177.01804	25.0
178.99815	29.0
181.01262	23.4
184.00006	12.4
187.03931	19.7
189.01863	18.7
190.02658	7.6
190.99852	8.2
191.03508	5.1
192.00519	11.7
193.01334	16.0
194.99245	24.8
197.02547	5.6
199.03935	7.4
201.01932	11.2
202.02625	7.0
203.03392	17.4
205.01402	13.0
208.00023	7.2
209.00847	8.0
213.01950	6.1
215.03406	21.9
217.01364	10.1
219.02863	11.8
229.01355	5.4
230.02065	8.3
231.02928	25.8
241.01483	8.1
243.02945	25.4
245.00960	7.4
246.01640	5.4
257.00824	7.9
258.01547	11.8
259.02487	40.9
260.02875	6.6
261.04080	6.2
267.07202	4.6
271.02539	13.3
274.01157	7.1
275.01959	25.2
276.02502	5.6
283.02499	4.6
283.06067	4.7
285.00378	10.3
286.01047	10.5
287.01974	100.0
288.02393	13.1
300.02692	13.0
301.03433	11.1
303.01389	31.1
304.02289	10.2
305.02856	11.4
312.99847	19.7
313.03235	8.8
315.01489	43.1
316.02048	8.7
317.02649	5.5
331.00940	79.4
332.01361	7.4
349.02011	8.2
461.12781	6.1
475.11099	10.3
487.11176	28.2
507.09894	31.4
508.11060	5.1
555.13788	5.9
569.11182	20.6
571.12732	6.5
581.11591	6.5
595.12860	8.2
625.10309	22.7
643.10968	29.7
644.11981	10.7
648.83270	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	642.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35606	0.9
55.87724	0.9
61.32547	0.8
61.98705	83.3
69.18533	4.7
69.18964	4.0
72.05253	0.8
75.00757	2.1
78.04585	0.8
79.20708	0.8
87.00764	1.7
93.03325	0.9
95.96539	0.8
107.01280	1.7
119.73041	1.0
121.02860	1.8
123.04429	1.4
131.75691	1.0
134.03641	1.9
149.02357	16.4
150.02699	5.7
150.09091	0.8
151.00302	2.6
161.02313	1.3
163.00250	1.3
175.00285	3.1
176.01024	2.1
177.01813	6.0
178.02190	2.1
178.99791	1.7
189.01949	1.1
191.03400	1.3
193.05049	0.9
202.99841	1.8
211.03938	1.4
227.03448	22.8
228.03831	2.0
229.05087	2.1
255.02972	40.6
256.03589	5.4
257.04562	2.5
281.04300	1.0
284.03268	58.7
285.03964	23.6
286.04233	1.7
299.05627	4.0
300.06088	2.7
309.04010	2.7
310.04376	3.0
327.05228	9.8
328.05499	9.3
329.05646	1.2
347.07690	1.1
348.08191	1.3
369.06149	2.0
370.06558	2.7
403.99649	1.0
447.09402	1.8
579.13580	100.0
580.13824	18.4
641.37488	2.6
642.37787	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	642.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26536	0.2
59.01249	0.2
61.70187	0.2
61.98705	100.0
71.53001	0.3
76.56255	0.2
79.07829	0.2
79.08296	0.2
80.96452	0.2
102.72540	0.2
106.62399	0.2
109.82359	0.2
193.85448	0.2
240.32483	0.2
248.76175	0.2
256.23752	0.2
277.07388	0.2
331.76608	0.2
531.84650	0.2
557.29510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27216	0.1
59.01255	5.1
61.98705	0.2
69.03321	0.1
71.01253	3.1
71.04891	0.8
71.54260	0.2
72.99179	0.4
73.02818	1.2
75.00758	0.2
79.76278	0.1
81.03338	0.1
83.01273	0.4
83.42765	0.1
85.02828	1.5
85.24353	0.1
87.00757	0.8
88.98673	0.2
89.02317	0.5
89.03838	1.5
93.03334	0.2
95.01292	0.4
97.02843	0.4
99.00763	1.0
101.02321	1.5
106.04138	0.4
108.02070	0.2
109.02834	0.3
111.00780	0.2
113.02335	2.0
117.03354	5.3
118.03649	0.2
119.04918	0.4
121.02822	0.3
123.04405	0.2
125.02303	0.6
129.05484	0.3
132.02072	2.6
133.02847	0.5
134.03632	81.9
135.03941	3.0
137.02341	0.9
139.03902	0.2
143.03403	0.4
147.04453	0.3
147.06532	0.4
149.02328	0.4
149.05984	7.3
150.03125	0.2
150.06319	0.4
151.03880	0.2
152.01114	0.2
159.02908	0.2
159.04312	0.2
160.01573	9.9
161.02084	0.4
161.04451	1.7
163.03906	0.4
165.01854	0.1
165.04008	0.2
167.03398	0.5
173.06000	0.1
175.03928	12.1
176.04352	0.6
178.01152	0.2
178.02623	2.3
179.03320	0.2
187.07582	0.2
191.03415	0.4
191.05289	0.2
193.04994	100.0
194.05318	5.3
194.31064	0.1
215.19212	0.2
225.07721	0.2
275.07852	0.2
285.04086	0.2
285.07571	0.2
295.59833	0.1
313.03647	0.1
314.24435	0.1
327.05185	0.2
327.08719	0.7
333.11984	0.4
343.08286	0.4
345.06125	0.3
397.92398	0.1
405.14017	2.3
405.19241	0.1
406.14282	0.2
423.15134	0.6
447.14435	0.6
465.15924	1.2
466.16711	0.1
519.50464	0.1
581.19269	0.2
599.19794	1.3
600.19885	0.2
641.20575	1.8
641.29700	0.1
642.21033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01251	7.0
61.98699	2.1
69.03313	0.6
69.69851	1.0
69.70272	2.9
71.01244	3.4
71.70673	0.5
73.02814	1.9
75.00754	0.6
79.95609	1.2
80.96391	5.3
85.02843	1.7
87.00759	3.1
89.02328	1.3
89.03843	1.6
93.03356	1.1
94.97960	1.2
95.01254	0.6
96.95922	0.8
99.00764	4.6
101.02337	1.7
108.02052	1.2
113.02335	1.6
117.03339	6.3
119.04937	1.8
121.02821	3.5
123.04414	0.9
125.02328	0.7
132.02075	2.9
133.02913	0.8
134.03630	85.8
135.03081	0.6
135.03972	3.4
137.02333	2.4
145.02902	0.7
145.11440	0.6
147.04433	2.1
149.02388	1.5
149.04332	0.8
149.06007	7.8
150.03136	1.2
151.03941	0.6
152.98485	0.8
160.01567	9.8
161.02187	0.9
163.03941	1.6
165.05479	1.8
172.05215	0.6
175.02486	0.6
175.03918	11.6
178.02658	2.0
178.36804	0.5
189.09218	0.8
191.03523	0.7
191.05472	1.1
193.04993	100.0
194.05357	6.3
195.06635	1.5
205.12038	0.7
225.00734	2.0
249.11118	0.6
255.06607	1.1
283.12430	0.6
327.08606	0.6
353.62894	0.6
398.12677	0.6
421.16904	0.6
465.17551	1.0
543.22601	0.6
597.21790	2.6
598.23059	0.7
640.34796	0.7
641.28400	7.6
642.28815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
59.01252	2.5
61.29225	0.2
61.98701	0.9
69.03323	0.3
70.68854	0.4
71.01251	1.6
71.54654	0.2
72.99185	0.2
73.02814	0.5
83.01241	0.4
83.04903	0.2
85.02826	0.8
87.00760	1.6
89.02332	1.1
89.54063	0.2
93.03351	0.3
96.95895	0.4
99.00783	0.3
101.02332	1.4
109.02808	0.3
111.08121	0.2
113.02330	0.7
119.03364	0.3
121.02830	0.3
124.21040	0.2
125.09572	0.2
131.03281	0.2
134.05954	0.2
135.04384	0.5
137.02402	0.2
139.03903	0.3
145.05016	0.3
147.04419	0.8
149.06020	0.4
155.10698	0.2
159.04428	1.1
161.04475	0.8
165.12781	0.5
167.14265	0.4
172.05252	1.0
173.06038	1.0
174.06807	0.5
175.07544	0.6
181.37364	0.2
183.04427	0.2
183.13840	5.8
184.14177	0.5
185.05997	0.9
186.06735	0.7
187.04022	0.3
187.07570	1.4
188.08110	0.3
189.05452	0.2
189.09181	0.3
191.03398	0.7
192.04097	0.3
193.12257	2.0
197.06084	0.3
199.07591	0.7
199.09288	0.2
200.04733	0.3
200.08406	0.3
201.05534	0.2
201.09085	1.7
202.06308	0.3
209.11807	0.3
211.13338	100.0
212.13663	6.1
213.09174	0.3
214.06500	0.2
215.07098	1.0
215.10674	0.5
215.12813	0.2
216.07831	0.3
225.05556	0.3
226.09834	0.3
227.10632	0.4
229.08589	0.5
235.08203	1.4
241.12291	0.3
243.10295	0.9
245.08104	0.8
245.11833	0.5
253.09273	4.2
271.09824	0.6
283.13333	0.5
284.03223	0.5
289.10864	0.4
295.13437	0.2
297.15012	1.4
299.05765	0.4
301.14557	0.8
309.20676	0.5
311.16473	0.3
313.14441	0.8
314.15234	0.3
315.15948	1.6
316.16690	0.5
327.15921	0.3
332.09189	0.2
339.12442	0.3
339.16354	0.2
342.07388	0.2
359.14709	0.3
369.16977	0.2
387.18088	0.3
387.25525	0.5
405.26395	0.4
427.21286	1.2
429.21368	0.7
437.23364	0.3
447.22333	4.4
448.22903	0.3
455.24738	0.5
456.25043	0.9
463.20486	0.2
499.23660	0.2
553.31647	0.3
565.24799	0.2
597.31433	0.4
618.50488	0.2
623.34924	0.4
641.12738	0.3
641.29504	2.6
642.30011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21399	3.4
69.21800	1.1
69.83543	0.3
76.89465	0.4
82.14683	0.4
85.50057	0.4
89.03837	0.7
91.05441	0.5
93.03328	0.4
97.02802	0.5
108.02059	1.9
109.02890	0.9
117.03355	1.8
121.02857	0.8
122.03594	1.5
123.04417	1.9
125.02336	0.9
133.02859	28.7
134.03671	9.7
135.04405	1.2
137.02356	0.6
145.02867	0.5
147.04439	10.0
148.01591	6.9
149.02315	1.2
149.05965	2.1
150.03159	2.1
151.03862	0.5
153.01839	0.4
159.04446	0.8
160.01607	2.1
161.02370	12.6
162.03050	0.8
163.03914	6.4
164.04277	0.4
165.05486	0.9
167.03407	1.1
173.02351	1.9
175.03978	2.1
177.01823	0.6
178.02628	3.2
179.03400	0.5
189.01881	10.6
190.02654	14.7
191.03439	59.5
192.03790	3.1
193.05008	6.9
203.03392	1.0
209.04504	0.5
220.03670	1.2
221.04538	1.0
222.01537	0.7
233.04466	1.1
245.07854	0.4
249.05682	0.8
265.05035	2.7
266.05853	21.8
267.06137	1.9
281.08206	25.2
282.08554	2.9
283.09662	0.6
294.05365	11.9
295.05661	1.5
297.07645	0.5
309.07693	2.3
327.08755	100.0
328.05322	0.4
328.09061	9.3
345.05966	1.7
345.09882	3.4
357.09763	0.9
369.09909	1.1
375.11151	2.2
389.83585	0.5
447.12988	24.1
448.13315	2.3
465.14175	3.4
466.14771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21399	3.4
69.21800	1.1
69.83543	0.3
76.89465	0.4
82.14683	0.4
85.50057	0.4
89.03837	0.7
91.05441	0.5
93.03328	0.4
97.02802	0.5
108.02059	1.9
109.02890	0.9
117.03355	1.8
121.02857	0.8
122.03594	1.5
123.04417	1.9
125.02336	0.9
133.02859	28.7
134.03671	9.7
135.04405	1.2
137.02356	0.6
145.02867	0.5
147.04439	10.0
148.01591	6.9
149.02315	1.2
149.05965	2.1
150.03159	2.1
151.03862	0.5
153.01839	0.4
159.04446	0.8
160.01607	2.1
161.02370	12.6
162.03050	0.8
163.03914	6.4
164.04277	0.4
165.05486	0.9
167.03407	1.1
173.02351	1.9
175.03978	2.1
177.01823	0.6
178.02628	3.2
179.03400	0.5
189.01881	10.6
190.02654	14.7
191.03439	59.5
192.03790	3.1
193.05008	6.9
203.03392	1.0
209.04504	0.5
220.03670	1.2
221.04538	1.0
222.01537	0.7
233.04466	1.1
245.07854	0.4
249.05682	0.8
265.05035	2.7
266.05853	21.8
267.06137	1.9
281.08206	25.2
282.08554	2.9
283.09662	0.6
294.05365	11.9
295.05661	1.5
297.07645	0.5
309.07693	2.3
327.08755	100.0
328.05322	0.4
328.09061	9.3
345.05966	1.7
345.09882	3.4
357.09763	0.9
369.09909	1.1
375.11151	2.2
389.83585	0.5
447.12988	24.1
448.13315	2.3
465.14175	3.4
466.14771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44979	0.9
66.17559	0.8
70.59795	0.9
71.01255	2.1
71.52896	1.3
75.01780	0.9
83.41251	0.7
85.02814	1.0
89.02325	1.0
93.03336	43.8
94.03661	1.5
101.02315	1.2
122.03648	1.5
137.02350	100.0
138.02681	5.1
160.31183	0.8
161.04388	1.0
226.30104	0.8
248.63478	0.8
267.58240	0.9
299.04541	1.6
299.07727	17.5
300.07986	1.8
425.76514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01253	6.5
61.98693	1.9
62.28459	0.6
63.19667	0.5
71.01257	4.3
73.02828	2.0
76.86079	0.6
79.95631	1.1
80.96395	5.1
83.01252	0.8
85.02833	1.8
87.00764	2.8
89.02332	1.9
89.03838	1.7
93.03371	1.3
94.97955	0.7
95.01247	0.6
97.02798	0.6
98.19729	0.7
99.00761	3.5
101.02342	2.0
106.04134	0.7
107.61948	0.6
109.02824	0.7
113.02327	1.9
113.74330	0.6
117.03352	6.1
119.01330	0.5
119.04919	1.9
121.02844	3.6
122.97430	0.5
123.04430	0.7
125.02406	0.7
127.60263	0.5
132.02097	1.9
133.02805	1.1
134.03633	74.4
135.03940	3.7
137.02362	2.4
139.03854	1.0
145.02847	1.5
147.04427	1.5
148.05202	0.6
149.02321	1.8
149.04520	0.6
149.04758	0.8
149.05992	7.4
150.03156	1.1
151.03828	0.6
153.01900	0.7
160.01576	9.5
161.02310	0.8
163.03957	1.6
164.04834	0.6
164.98538	0.8
165.05472	1.7
173.05934	1.1
175.03943	9.7
176.04240	1.0
178.02591	1.6
187.11150	0.6
190.02695	0.6
191.03392	0.8
191.05524	0.9
193.05002	100.0
194.05328	4.9
195.06595	0.9
211.13391	0.8
219.02669	0.5
223.06091	2.4
225.00758	1.5
255.06824	0.7
296.16382	0.6
302.23026	0.6
318.98499	0.6
325.71741	0.6
421.16919	0.8
465.17703	1.2
469.71512	0.8
597.21539	3.3
598.21954	0.7
641.28638	8.1
642.29285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35604	0.3
57.03330	0.5
59.01243	1.5
61.16257	0.3
63.89782	0.3
65.03819	0.3
69.37283	0.3
71.01256	0.7
71.52513	0.3
71.90701	0.3
72.99171	1.5
81.03325	0.6
85.02805	0.5
87.00759	0.9
87.74417	0.4
89.02301	0.6
90.02721	0.4
93.03339	0.8
99.00785	0.6
101.02309	0.5
108.02032	0.4
109.02841	1.3
111.43916	0.4
113.02325	0.4
117.03371	0.4
121.02846	1.4
122.03589	0.4
123.04401	1.8
133.02852	10.4
134.03651	7.9
135.04216	0.5
137.02347	0.9
147.04388	0.8
149.02353	8.3
149.05988	1.5
150.03120	0.6
151.03925	1.9
160.01591	1.9
161.02312	0.7
163.03900	0.8
174.03078	0.7
175.03906	2.9
178.02602	0.9
178.99771	0.4
181.12366	0.6
183.04390	0.6
183.07956	0.4
185.05923	0.4
189.05452	0.5
190.02582	0.6
191.03352	0.4
191.05455	0.4
193.04976	6.9
194.05415	0.8
196.05296	0.6
199.07620	2.1
207.10207	0.4
209.05977	0.8
211.03935	2.3
211.07416	0.5
212.04636	2.5
213.05493	1.4
221.06047	0.6
223.03969	1.5
225.05487	2.0
225.11305	0.9
226.06291	2.1
227.03510	0.4
227.07072	4.8
228.07457	0.4
229.05029	0.5
230.05783	1.9
235.03909	0.8
236.04694	0.6
237.05533	5.0
238.05937	0.6
239.03429	4.3
239.07108	0.7
240.04239	21.7
241.04605	2.3
245.00999	0.3
245.08186	1.9
252.04277	0.9
253.05008	5.0
254.05643	1.2
255.06606	23.5
256.06912	2.0
258.05301	0.7
265.05038	1.4
271.06097	0.5
273.07642	1.5
282.05280	0.7
283.06107	100.0
284.06464	8.5
285.07693	0.4
297.07825	0.5
301.07147	12.3
302.07510	1.2
313.07153	1.2
315.08591	0.4
325.07108	1.4
327.05042	1.2
331.08459	1.8
343.08392	0.4
345.06165	0.5
361.63333	0.4
369.09814	1.1
373.09079	1.1
403.10312	10.2
404.10782	1.2
421.11401	3.2
447.09106	0.6
465.10413	1.9
477.11862	0.7
506.10541	0.4
521.10474	0.9
533.50836	0.4
641.15448	1.3
641.26123	3.1
641.36346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78373	0.3
55.45036	0.4
59.01253	0.7
61.98706	5.1
65.00212	0.9
66.18903	0.4
69.03333	0.4
71.01245	0.9
71.52734	0.7
75.00748	0.7
81.03355	0.9
83.01253	0.9
85.02835	0.7
87.00762	0.5
89.03838	0.8
93.03339	3.4
93.98143	0.5
95.01251	1.0
95.04900	0.7
97.02859	0.9
101.02335	0.6
103.01800	0.9
105.03355	3.2
107.01269	2.6
108.02073	0.8
109.02834	4.3
117.03333	1.3
119.04893	1.0
121.02845	8.4
122.03564	0.4
123.00780	0.6
123.04404	6.5
124.01559	0.6
125.02347	3.1
129.54108	0.4
131.01260	4.4
132.02061	0.8
133.02821	0.7
134.03632	7.2
135.04407	0.6
137.02388	1.9
139.03908	5.9
147.04378	1.9
148.01544	4.9
149.02347	100.0
150.02658	4.2
151.00253	1.9
151.03915	2.9
152.01100	0.4
160.01555	2.7
161.02356	4.4
162.03169	0.9
163.00241	0.9
163.03952	1.6
164.01059	0.7
165.01820	1.1
165.05525	0.8
167.03401	2.5
173.02348	0.6
174.03119	0.5
174.72929	0.4
175.00290	18.1
175.03894	1.8
176.01060	12.1
177.01848	29.3
178.02306	1.4
179.03430	0.9
189.01894	2.8
190.02585	1.1
191.03421	8.1
192.03801	0.7
193.01402	1.3
193.05023	2.5
201.01863	1.6
202.99782	11.2
204.00452	0.9
205.01349	7.2
207.02899	0.4
209.06062	1.1
211.03787	0.6
217.01381	1.5
218.02139	1.3
219.02878	2.0
227.03371	1.7
229.05121	0.4
231.02888	0.5
235.02332	0.5
236.04826	0.5
237.05537	1.7
245.00911	1.2
247.02428	0.8
253.05072	0.8
255.02953	2.7
259.02817	0.5
264.04309	1.0
265.05051	4.5
266.05463	0.6
281.04456	1.9
283.06097	2.4
284.03217	3.5
285.04108	1.8
286.04245	0.5
287.04730	0.5
299.05612	26.5
300.05923	2.3
309.04047	23.8
310.04404	2.9
314.03992	0.9
315.04221	1.1
316.04434	0.7
327.05090	83.5
328.05469	9.2
329.06439	0.8
331.06631	0.5
339.04996	1.0
341.06677	3.5
343.08356	1.3
344.08438	2.2
345.06085	3.7
345.09091	2.7
346.09454	2.2
347.07587	3.5
351.05048	2.8
357.06134	2.6
361.16516	1.6
369.06113	15.2
370.06506	2.1
375.07230	2.7
376.07495	0.5
393.75745	0.4
411.07391	0.7
419.09686	0.6
429.08173	3.1
447.09314	6.1
448.09689	0.7
465.10556	1.4
477.11990	0.8
521.10870	0.9
579.13580	6.0
623.13483	0.5
641.15295	1.2
641.37305	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	640.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68484	0.1
57.03337	0.1
59.01248	0.4
61.38771	0.1
61.98702	100.0
62.98402	0.1
71.01252	0.2
75.00723	0.3
81.62277	0.1
85.02838	0.2
87.00773	0.3
87.05016	0.1
89.02316	0.1
89.03801	0.1
93.03324	0.2
93.92387	0.1
94.43807	0.1
96.44374	0.1
98.20685	0.2
101.02324	0.2
108.02046	0.1
109.02841	0.1
113.02343	0.2
116.39025	0.1
117.03349	0.2
119.04874	0.1
119.89820	0.1
122.03627	0.3
123.04420	0.5
125.75134	0.1
134.03638	3.5
135.04030	0.6
137.02361	0.4
145.02835	0.2
147.04451	0.3
149.06058	0.6
150.03120	0.1
151.03963	0.2
160.01596	0.4
161.02328	0.4
162.03174	0.4
163.03964	0.5
165.05432	0.2
175.00261	0.1
175.03874	0.6
178.02690	0.1
189.02043	0.2
190.02625	0.4
191.03477	0.5
193.04991	5.0
194.05324	1.0
205.05066	0.2
209.04544	0.2
220.03676	0.2
221.04610	0.1
257.47186	0.1
320.02283	0.1
325.07211	0.1
326.07837	0.1
327.08636	0.1
344.08899	0.2
345.09680	1.9
375.10913	1.0
383.13663	0.1
429.12030	0.2
479.16803	0.2
577.19299	0.5
633.51428	0.1
639.38983	0.2
640.27240	0.1
641.19043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.7
61.98708	1.6
69.03313	0.8
69.22330	7.0
71.01259	3.2
72.99191	0.8
73.02831	1.3
75.00739	0.7
85.02806	0.9
87.00750	4.1
93.03354	1.5
96.95908	2.3
98.19787	1.8
101.02341	2.1
109.71307	0.7
113.02331	1.5
119.04944	1.1
121.02869	2.8
123.04514	1.0
125.02325	1.0
129.17839	0.7
134.03644	5.5
137.02351	2.9
143.03476	0.7
147.04424	2.1
148.01523	1.1
148.05260	0.7
149.02361	0.9
149.06015	2.7
150.03159	0.8
151.03966	1.0
153.95454	0.7
161.02319	1.0
163.03891	1.5
175.03859	1.1
177.01869	1.3
178.99802	0.8
187.07581	1.3
193.04987	5.9
197.11621	1.0
201.09177	1.0
207.10252	1.1
209.11739	1.9
211.13402	2.9
227.03462	1.1
229.01460	1.1
255.02898	1.8
256.03732	1.0
266.76953	0.8
283.02322	1.3
284.03275	14.1
285.03638	1.3
299.02228	1.5
299.05585	13.0
300.06006	1.4
303.02850	1.0
304.03772	1.8
320.03244	2.2
321.03967	0.8
331.02493	1.3
332.03198	4.2
343.02753	0.8
343.08014	2.0
348.02881	2.6
358.01007	0.9
359.01706	1.0
360.02502	1.1
375.05164	1.2
376.02216	8.6
377.02783	1.4
387.01447	1.2
389.03018	1.8
390.03754	2.1
391.04507	12.2
392.04816	1.7
401.02948	1.7
402.00394	1.7
403.00717	1.6
404.01590	1.1
405.06116	2.6
417.02341	2.1
418.03165	2.8
419.04095	72.4
420.04391	8.4
432.04691	1.0
433.05771	5.6
434.06378	8.5
435.06693	1.0
445.01987	20.2
446.02435	3.2
448.07932	2.4
449.08762	100.0
450.09116	13.3
459.03552	1.4
460.04456	1.5
461.04996	1.2
465.17783	0.8
475.06720	24.2
476.07178	4.2
583.08783	1.5
613.13361	6.9
614.14093	1.4
640.33929	1.4
641.12976	77.6
641.35431	5.3
642.13171	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35399	0.8
55.01742	1.3
57.03336	5.2
57.77242	0.9
58.00455	1.7
58.06824	0.8
59.01250	34.6
61.14181	0.9
61.98693	4.3
65.03826	2.9
70.82706	2.4
71.01251	27.7
72.99182	2.5
73.02821	7.9
75.00774	1.0
78.95762	0.9
81.03338	2.5
82.21150	1.0
83.01275	5.0
83.04905	8.7
85.02821	9.0
85.06453	3.7
85.99984	1.0
87.00230	1.6
87.00751	24.8
87.04420	1.1
89.02319	12.2
91.03879	1.3
91.05435	1.8
93.03360	2.6
95.01245	3.7
95.04907	2.7
97.02814	2.2
97.06454	4.7
99.00771	2.8
99.04390	1.7
101.01692	1.9
101.02322	20.8
103.03942	1.0
103.05418	1.5
105.03357	1.1
105.06992	1.4
107.04874	1.1
109.02859	1.6
109.06448	4.6
111.00828	1.1
111.04439	1.5
111.08035	9.4
113.02327	12.0
119.03406	2.8
119.04906	3.8
121.02833	4.5
121.06497	1.1
122.03691	2.3
123.04419	1.9
123.08021	1.5
125.02320	3.8
125.09611	15.7
127.11140	1.2
130.99747	4.4
131.03380	1.1
133.06435	1.3
134.03613	2.9
137.02333	4.9
137.09554	2.8
137.84494	0.9
139.03882	2.3
139.07655	1.0
143.03456	1.4
145.02832	1.5
145.04970	3.9
147.04419	13.8
147.08107	1.2
148.05090	4.1
149.02284	1.0
149.05916	2.2
151.11159	1.2
152.99399	1.1
153.09198	1.1
161.04498	5.2
163.03917	1.7
163.07486	1.4
163.11205	1.1
165.04092	1.0
171.10178	100.0
172.05054	1.1
172.10550	5.6
173.05901	1.1
175.03958	1.3
179.05533	1.6
185.05930	1.4
185.11740	2.0
187.03859	1.3
187.11192	1.2
187.14833	2.0
188.04572	1.1
189.16495	1.5
191.03381	3.9
192.04123	4.5
193.04843	4.1
193.12221	1.1
199.03928	1.1
201.05513	1.2
201.09128	2.0
203.14366	2.1
205.15933	6.0
207.13803	1.3
209.11781	17.5
210.12030	1.1
211.11469	2.0
211.13321	18.0
212.13603	1.6
213.12843	2.1
215.07201	1.3
215.14359	9.9
221.15466	3.4
231.13861	8.6
232.14294	1.1
233.15401	32.7
234.15796	1.6
235.08151	14.5
236.03227	1.5
237.14891	1.7
239.16502	1.5
243.10243	1.7
247.16963	1.0
249.14926	44.9
250.15276	3.1
253.09222	9.8
254.04381	1.4
297.14813	1.4
313.25269	1.1
331.26324	3.3
333.20844	1.5
339.23364	1.5
341.24847	6.8
342.25421	1.6
343.07773	1.1
357.24310	2.2
359.25922	3.7
367.22858	4.4
375.25241	6.0
385.23840	30.3
386.23917	5.1
393.26486	2.2
403.24878	62.4
404.25113	9.0
407.19202	3.6
421.25949	20.4
422.26270	2.3
445.20825	1.2
447.22644	1.7
459.27811	1.5
485.23856	3.1
495.29922	2.2
611.34613	4.5
621.32764	87.0
622.33148	15.1
629.74713	1.7
638.75549	2.1
639.33936	63.1
640.34259	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	639.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
61.98699	4.1
62.31651	0.5
65.03847	1.6
67.01775	0.6
69.60674	0.9
69.61084	2.6
71.01254	4.6
73.02821	1.1
74.09832	0.5
83.01273	1.0
85.02844	2.2
87.00757	5.8
89.02340	0.8
89.03848	1.1
91.05419	4.2
93.03365	1.5
95.01250	0.6
95.04932	0.8
99.00753	0.7
101.02345	2.3
103.66604	0.6
105.03308	0.8
107.04934	0.5
108.02074	0.8
109.02842	10.3
113.02335	2.0
117.03352	2.0
119.04943	1.0
121.02850	4.6
122.03629	0.8
123.04448	1.4
130.99760	1.2
132.02075	20.0
133.02869	7.7
134.03636	38.7
134.50848	0.6
135.04425	37.9
136.04762	0.8
137.02390	3.9
138.03108	1.9
139.03918	1.3
145.02850	0.8
147.04427	10.0
148.05031	1.9
149.02385	1.3
149.05991	7.2
151.03947	1.4
153.05458	4.8
159.04428	1.0
160.01570	85.9
161.02299	8.9
161.05942	0.7
162.03056	0.8
163.07611	0.6
164.04703	1.7
171.10226	1.1
172.05136	0.8
173.05904	0.8
174.03133	1.5
175.03922	100.0
176.04269	6.6
177.01863	2.3
177.05511	1.3
178.02646	3.8
179.03392	1.2
179.07065	4.0
181.44629	0.6
185.06030	1.1
187.03903	0.7
189.05455	1.2
191.03368	1.5
191.06992	0.8
192.04182	1.6
193.04994	49.2
194.05360	2.7
199.07497	0.8
200.04652	0.6
201.05515	0.8
201.09164	0.9
202.02539	1.2
202.06134	0.6
209.11768	6.1
211.07672	0.6
211.13339	7.1
212.04689	0.8
213.79277	0.6
215.07043	1.2
216.07808	0.7
217.05022	2.1
221.36766	0.5
227.07048	1.6
236.03041	0.6
243.10332	0.7
249.14871	0.8
254.05785	2.1
256.03793	0.7
269.08096	2.5
271.02292	0.6
271.05933	1.2
297.15164	0.7
301.10797	31.0
302.11105	3.3
313.03635	0.9
322.07007	4.3
323.07675	6.2
324.08072	1.0
325.10849	1.9
328.05881	1.8
335.09985	0.6
337.09277	59.0
338.09689	5.8
352.94879	0.6
355.11795	0.8
367.11829	0.8
371.35538	0.6
385.12939	0.7
397.12915	0.6
445.15097	6.9
446.15067	0.7
477.35486	0.9
598.43695	0.6
639.20612	21.4
639.40948	7.7
640.21259	5.5
640.40771	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	639.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44550	0.4
55.01754	0.8
57.03315	2.0
58.00460	0.9
59.01251	10.3
62.06480	0.4
65.14970	0.5
67.01752	0.8
68.99681	1.7
69.03323	1.9
70.55412	1.0
70.55798	1.1
71.01254	17.0
72.99180	5.9
73.02806	2.0
75.00747	14.3
81.03321	0.7
83.01260	1.3
85.02824	16.3
87.00764	6.4
89.02317	5.1
93.03336	2.6
95.01270	3.6
99.00761	10.5
101.02332	1.2
103.00231	1.8
108.02055	1.1
109.02840	1.1
111.00776	2.2
113.02333	16.5
114.53996	0.4
115.00253	1.8
117.01818	2.0
117.03350	1.4
117.87600	0.5
119.04922	0.9
121.02847	6.0
122.03648	3.5
123.00794	0.5
123.04438	3.6
124.01527	1.4
125.02378	1.2
129.01830	1.7
132.02061	1.5
133.02864	3.3
134.03636	28.8
135.04485	3.8
136.01573	0.5
137.02365	2.5
139.03914	0.7
146.03662	1.1
147.04410	1.2
148.05200	1.9
149.02351	9.6
149.06010	6.5
150.03133	28.1
151.00308	0.9
151.03928	10.3
152.01003	0.7
157.01315	1.3
160.01584	5.7
161.02351	3.4
161.04498	0.5
161.05942	0.4
162.03055	0.5
163.03941	1.3
164.04744	2.4
165.05486	26.4
166.02652	1.0
166.05823	0.7
175.02403	3.0
175.03925	7.3
177.01862	1.2
177.05443	0.7
178.02605	3.9
179.03397	1.9
179.07045	1.7
180.04195	1.6
181.04994	12.0
181.67564	0.5
189.03970	0.7
191.05495	1.0
192.04202	0.6
193.04994	21.3
194.05331	0.9
195.06563	4.4
205.04922	0.9
211.13284	1.0
231.04948	2.4
249.06133	26.6
250.06322	2.3
253.06970	0.9
267.07071	3.6
267.08997	1.8
282.08975	3.4
295.08389	0.6
297.04010	1.1
315.04913	0.7
327.08591	2.3
341.10321	5.7
342.10751	0.5
345.06464	0.4
345.09811	3.8
371.11166	0.6
376.47357	0.5
381.11746	4.1
387.14517	2.2
389.12119	0.5
399.12933	1.2
424.10358	0.6
425.10944	2.4
439.12350	1.3
442.11136	7.8
443.11981	10.4
444.12268	0.7
457.13437	3.1
477.23682	0.6
497.12665	0.7
515.14172	0.5
575.26392	0.7
591.16931	0.9
607.16528	1.0
621.18402	3.5
622.18878	0.8
639.19312	100.0
640.19708	16.4
659.13232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.2
65.03822	0.6
68.99689	0.6
71.01264	3.9
71.30949	0.6
73.02852	0.8
83.01284	0.7
85.02855	1.2
87.00758	4.7
89.02303	1.0
89.03844	1.0
91.05425	4.0
93.03364	1.5
95.04890	0.9
98.20573	1.5
99.00793	1.0
101.02341	1.9
104.32223	0.6
105.03348	0.8
107.04896	0.6
108.02067	1.8
109.02842	8.8
113.02357	2.0
117.03354	4.5
119.04934	1.7
121.02846	5.0
123.04398	1.1
125.02338	1.4
130.99799	1.4
132.02071	14.6
133.02887	5.5
134.03639	65.6
135.04443	27.9
136.04749	1.0
137.02353	4.1
138.03142	1.0
139.03946	1.6
143.02368	0.6
145.02809	1.2
146.03514	0.7
147.04430	10.8
148.05104	2.2
149.02344	2.1
149.06001	9.1
150.03117	0.9
150.06396	0.7
151.03934	2.0
153.05511	3.3
159.04477	1.3
160.01575	62.4
161.01974	3.3
161.06039	0.8
163.03876	1.4
163.34660	0.5
164.04694	2.5
168.96696	0.7
173.02386	0.6
173.05965	1.1
174.03183	1.3
175.03931	86.2
176.04274	4.4
177.01894	2.1
177.05493	1.4
178.02596	4.4
179.03355	0.8
179.07042	3.3
187.03989	0.8
189.05466	1.0
190.02632	3.6
191.03474	1.2
192.04214	1.9
193.04997	100.0
194.05370	5.5
201.09131	0.9
202.02605	1.4
203.07144	0.8
205.05045	2.9
209.11810	1.2
211.13306	1.9
212.04628	1.0
215.07129	0.9
217.05112	1.4
223.05927	1.3
227.07166	1.5
243.10263	0.8
247.17720	0.6
255.06461	1.0
269.08191	2.3
270.08710	0.7
271.06192	1.1
271.09702	1.3
286.08466	0.7
301.07291	1.5
301.10803	25.9
302.11227	2.8
304.19516	0.6
322.07037	3.3
323.07541	0.9
325.10815	1.7
337.09290	60.1
338.09674	5.4
367.10474	2.2
445.14935	0.8
475.83286	0.7
630.24158	1.5
639.20123	8.9
640.20868	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	639.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98621	0.5
59.01251	1.6
61.98698	0.6
65.03848	0.7
67.01770	1.2
71.01250	1.8
75.00759	0.7
77.41589	0.5
79.05399	1.9
83.01237	0.7
85.02832	0.8
87.00736	2.1
90.90627	0.6
91.05419	0.6
93.03333	1.0
95.01267	2.8
99.00752	0.8
101.02306	0.9
105.03335	1.5
107.04909	1.9
108.02029	1.7
109.02848	9.1
113.02322	0.7
117.03326	0.7
119.04939	1.5
121.02854	6.7
122.03642	7.8
123.00789	1.0
123.04421	30.4
124.04784	0.7
133.02893	1.0
134.03632	6.1
135.00798	1.9
135.04425	8.9
136.01582	4.0
137.02354	6.8
142.13052	0.5
145.02834	1.0
146.22311	0.6
147.04413	1.4
148.01558	1.6
149.02356	16.7
150.03146	20.9
151.03925	11.9
153.01913	0.7
153.05418	0.6
161.02400	3.1
162.03142	1.3
163.00243	0.8
163.03941	13.5
164.04608	1.2
165.04053	0.7
165.05443	1.0
167.03416	1.6
171.06851	0.6
173.05994	0.8
175.03940	0.9
177.01871	2.9
178.02626	5.0
179.03439	1.7
181.04953	2.8
182.02142	4.7
189.01843	1.6
191.03387	1.2
192.04201	0.7
193.04996	3.0
195.02907	1.2
205.01366	3.7
206.02132	0.8
207.02911	2.4
208.03633	1.2
217.04922	0.9
218.02144	0.6
235.02495	1.8
242.05731	0.8
247.49141	0.6
254.05798	0.6
255.06480	1.0
256.07422	4.8
257.07898	0.8
258.05356	0.9
269.08020	0.7
271.06561	0.7
271.09796	1.6
272.07227	2.6
272.09497	0.7
273.07733	5.2
284.06815	1.0
285.07639	1.5
287.09238	6.2
299.09222	4.3
300.06351	2.4
301.07159	1.9
311.09174	0.8
313.07220	1.6
315.08759	30.5
316.09015	2.4
327.08777	6.3
328.09024	0.7
329.10345	1.0
343.08228	100.0
344.08612	9.6
345.09827	8.2
355.08224	1.0
361.66675	0.5
373.09293	50.1
374.09622	4.5
381.09845	0.9
385.09277	1.4
399.10873	2.0
409.08951	1.2
417.11856	1.0
427.10272	7.5
445.11246	1.8
463.12808	0.7
465.17752	1.3
510.12347	0.6
639.16547	3.5
639.35461	0.9
640.17523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03323	1.9
59.01248	12.4
59.26569	0.8
60.90969	0.8
61.98700	1.2
67.01750	0.8
68.56213	0.9
68.99669	1.1
69.03317	1.6
71.01254	16.1
71.54394	1.2
72.99178	2.3
73.02814	4.8
75.00740	6.9
79.05394	1.2
79.11250	1.0
83.01261	3.0
85.02834	7.4
87.00748	12.7
89.02306	3.1
93.03322	3.6
95.01264	2.7
97.02831	1.1
99.00778	4.2
101.02330	8.7
105.03365	1.5
107.04942	2.0
108.02039	3.2
109.02848	10.5
111.68244	0.9
113.02313	6.2
116.92741	0.9
117.03330	1.5
119.03381	1.7
119.04910	3.2
121.02850	8.8
122.03622	9.4
123.00791	2.0
123.04405	29.9
124.04753	1.9
125.02334	2.3
129.01855	1.2
130.99770	2.2
133.02827	1.5
134.03621	14.2
135.00772	2.3
135.04430	11.3
136.01553	3.6
137.02325	12.3
138.02811	0.9
139.00282	1.3
139.03937	1.3
145.02861	3.5
146.03651	1.3
147.04407	4.6
148.01515	1.1
148.05147	1.4
149.02350	18.3
149.05957	3.6
150.03137	21.4
151.03929	13.5
152.01019	1.6
153.01830	3.5
153.05478	1.0
154.02585	2.7
159.02841	1.2
159.04295	1.4
160.01552	2.7
161.02303	3.7
161.04474	1.8
161.05997	1.0
163.03922	18.3
164.04475	1.0
165.03928	2.5
165.05411	2.0
167.03448	2.3
169.04968	1.7
173.04498	1.1
173.05908	1.8
175.03857	4.7
176.01071	1.5
177.01883	5.4
178.02644	6.3
179.03412	2.9
181.04980	5.0
182.02118	4.3
187.04027	1.5
189.01859	2.0
189.05455	1.3
190.02634	1.2
191.03590	1.6
191.05519	1.1
193.04991	15.8
199.03914	1.0
205.01382	4.4
207.02925	2.8
208.03706	1.4
215.07260	1.0
217.05035	1.3
218.01875	1.0
219.02896	1.1
235.02504	1.5
242.05757	1.0
255.02783	1.2
256.07370	4.7
257.07901	0.9
266.05511	1.3
267.07071	1.2
271.02328	1.4
271.09784	6.2
272.06900	2.6
272.10101	2.4
273.07614	6.7
273.10373	2.2
283.10010	1.5
284.06760	1.3
285.04047	0.9
285.07346	0.9
287.04666	1.1
287.09213	6.3
297.04007	1.2
297.07391	1.1
299.09293	5.0
300.06351	3.1
300.09399	1.2
301.07120	2.4
311.09244	1.1
313.03513	2.8
313.07068	1.9
314.03748	1.8
315.08731	35.3
316.09045	1.6
327.08716	7.1
328.05679	2.1
328.09399	1.5
343.08194	100.0
344.08585	14.5
345.09567	11.1
346.09662	1.2
355.08398	1.0
373.09271	47.2
374.09601	4.3
381.09763	1.3
385.09192	2.3
399.10736	2.2
416.74484	0.9
417.12189	1.1
427.10321	8.0
445.11438	2.0
447.16461	1.1
465.17755	5.2
528.27832	1.0
597.20740	1.6
600.28760	1.3
609.30157	16.4
609.80194	11.0
610.30457	1.8
621.16858	1.1
639.24945	1.5
639.34320	4.3
640.18524	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	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.6
60.54535	5.5
69.70859	6.3
71.00358	10.6
75.85711	4.9
76.62089	4.7
87.00752	61.1
92.47935	5.3
99.31622	5.2
121.02894	6.6
121.98799	6.0
123.00728	7.2
135.04451	5.4
137.02321	12.9
138.03061	15.3
147.04436	14.4
150.03142	7.1
153.05464	7.2
159.04425	66.3
160.05147	7.8
161.02304	20.7
161.05971	31.2
162.03149	10.8
163.03911	9.5
165.04025	5.4
165.05421	9.7
173.02390	5.6
173.06024	17.6
174.03128	8.8
175.03912	51.4
187.03955	9.0
190.24858	7.0
191.03455	7.2
203.03499	7.9
219.02742	5.5
221.60371	5.3
225.05490	21.1
249.72069	5.8
251.07100	10.9
253.04955	32.9
266.41812	5.6
269.04504	15.9
270.05356	6.3
271.06119	23.2
277.04907	8.0
278.05313	5.8
281.04605	40.4
282.05176	9.3
285.07620	9.2
286.08371	17.7
290.95944	5.4
292.78897	5.6
294.05341	6.4
295.06046	10.0
296.06808	13.2
297.03976	15.7
297.07635	33.6
298.08017	6.4
301.10681	17.3
311.05640	7.1
311.09274	19.0
312.06372	14.5
312.09879	17.3
313.06961	6.8
322.04996	6.8
323.05600	15.3
325.07025	20.5
325.10574	7.6
326.07864	10.4
327.08606	26.5
327.12338	75.1
328.09207	7.5
328.12805	6.9
329.10330	9.1
338.08005	7.1
343.11874	20.5
353.09970	27.0
355.08356	36.8
356.08383	8.6
371.11288	63.4
372.11908	10.3
381.12021	6.7
387.10840	10.9
397.09351	65.4
398.09229	14.1
415.10297	21.4
417.99969	5.6
433.11343	100.0
434.11780	11.5
441.08328	45.0
442.08945	7.1
459.09268	55.8
470.45132	6.5
477.10324	48.9
478.10596	6.8
639.15497	64.3
640.15857	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	639.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	2.6
61.98686	1.3
62.37285	0.5
71.01235	2.1
72.99159	1.0
73.02790	0.8
75.00753	6.3
76.98472	0.6
78.61078	0.6
83.01247	0.7
85.02825	1.4
87.00730	2.4
87.40502	0.6
89.03808	1.1
91.01736	1.7
93.03288	1.2
95.01250	1.1
99.00700	0.8
101.02323	1.2
106.81767	0.6
108.02069	4.4
109.02814	1.2
113.02302	1.1
117.03332	1.5
119.01260	0.9
119.04883	1.1
121.02802	1.6
122.03639	15.7
122.04530	0.9
123.04436	4.9
124.01508	1.6
125.02324	0.6
133.02855	52.9
134.03661	15.7
135.04178	1.0
136.01559	0.6
137.02350	6.4
143.02463	0.6
147.04378	1.5
148.01573	11.8
149.02310	1.1
149.06029	1.3
150.03117	1.6
151.03900	1.4
152.01056	1.2
153.01753	0.9
153.05446	1.0
154.02574	3.4
159.04411	0.8
160.01590	0.6
161.02338	1.7
163.03909	3.2
165.05440	1.4
173.05940	1.2
175.03873	2.0
177.01840	1.2
178.02676	1.1
181.04991	1.0
188.01041	2.1
189.01859	1.0
190.02682	1.0
191.05551	0.9
193.05022	7.3
194.05431	0.7
203.95892	0.6
237.05515	1.3
265.04947	2.2
266.05881	7.3
267.06485	1.5
271.02496	0.6
281.08118	3.2
282.05383	16.5
282.08301	0.5
283.05634	1.5
283.10666	0.6
297.07681	100.0
298.08023	9.3
299.01965	0.8
313.03595	0.9
314.04120	0.7
315.08725	1.8
325.07178	95.1
326.07581	7.5
329.06573	1.7
339.08859	0.8
343.08325	4.2
344.08664	1.5
345.00848	1.2
345.09027	0.9
355.08411	0.9
373.09070	1.4
403.10895	0.6
417.11899	2.6
445.11398	31.7
446.11819	4.9
447.16525	0.8
463.12445	4.8
465.17032	0.6
577.20184	0.6
639.36145	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	639.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.1
69.03316	1.9
75.00745	2.7
78.15285	1.3
85.02826	4.3
87.00755	4.6
88.05826	1.4
88.13383	1.5
89.02312	3.0
93.03372	2.3
95.01257	5.2
97.41753	1.7
99.00758	5.1
101.02316	4.4
108.02055	55.2
109.02892	19.4
113.02328	5.0
121.02809	8.9
123.00805	12.1
123.04403	3.2
124.01566	20.3
125.02361	4.0
133.02797	2.7
134.03653	9.3
136.01494	1.7
136.05165	2.2
137.02367	4.1
139.03989	2.8
147.04391	2.0
148.51112	1.5
149.02373	8.6
149.05972	2.9
149.99438	2.6
150.03186	7.4
151.00267	1.9
151.03882	5.7
152.01067	100.0
153.01874	16.6
161.02338	2.8
163.03900	6.9
164.04691	3.6
165.05450	2.4
167.03581	1.7
168.00565	57.5
169.01045	4.3
173.04417	2.0
174.03146	2.2
175.03957	4.3
176.01053	4.4
177.01855	5.4
179.03432	3.1
191.03439	3.0
193.01369	2.5
193.05011	7.4
209.04465	3.6
209.57799	1.5
223.06091	2.7
229.28513	1.7
248.60645	1.6
313.03345	3.8
314.03793	2.0
315.04016	2.2
315.07376	4.5
325.03558	4.6
328.05676	2.2
343.08221	9.7
344.08548	8.1
345.08945	8.5
429.10425	27.9
445.09619	3.0
447.11453	52.4
448.11853	5.6
452.03018	1.7
463.10764	5.6
465.27094	2.9
477.10495	2.2
607.12933	4.7
639.15649	66.2
639.33020	4.7
640.15942	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	639.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01252	2.3
61.98705	12.4
67.01777	0.6
69.03325	1.2
69.43287	2.6
69.43697	0.8
72.99170	1.2
73.42202	0.5
74.02319	0.5
75.00716	0.4
81.03310	0.5
83.01259	1.1
85.02830	0.8
87.00751	1.8
89.02312	0.8
93.03334	3.9
95.01269	2.1
95.04936	0.5
97.02853	1.1
99.00765	0.6
99.04391	0.6
101.02324	1.2
105.03352	0.5
107.01273	0.7
108.02067	1.4
109.02837	1.1
113.02310	0.8
113.68583	0.4
117.03346	1.5
119.04929	0.5
121.02809	0.9
123.00765	15.2
123.04388	0.9
124.01559	35.0
125.02360	18.6
126.02685	0.5
133.02853	0.5
134.03638	13.7
135.03946	0.8
137.02345	9.3
138.02780	0.5
139.00285	0.5
139.28294	0.4
147.04402	1.3
149.02332	1.2
149.06009	2.4
149.99492	50.6
151.00233	2.8
151.03900	0.9
152.01117	0.9
153.01762	0.4
159.04411	0.6
160.01558	1.8
161.02335	0.9
163.03912	1.0
165.01874	0.6
165.05508	0.5
166.99731	0.8
167.03395	1.4
168.00554	80.8
169.01212	6.5
173.04459	0.8
175.03934	1.8
177.01804	0.6
178.02635	1.4
179.01628	0.7
179.03314	0.7
180.02289	0.9
181.04958	0.6
190.02463	0.5
191.03412	1.4
191.05441	0.6
193.04985	7.9
194.05322	1.2
201.11214	0.6
207.02969	0.4
221.08261	0.5
225.05585	0.5
249.99397	0.9
250.99631	0.8
269.06720	0.6
270.01779	0.5
271.02390	1.2
272.02832	0.7
272.08868	0.8
273.03110	0.8
280.82959	0.4
285.04105	0.6
300.02707	1.0
301.03107	1.2
302.03253	0.6
312.06259	0.4
313.03458	1.0
314.03665	0.6
315.04343	0.5
327.08832	1.0
331.06793	2.5
343.08200	1.6
344.08646	2.0
345.08865	1.0
418.14401	0.4
445.09525	0.7
447.11563	0.8
463.11069	2.9
465.26941	0.6
524.09045	1.3
607.13940	0.4
621.15277	1.3
639.15631	100.0
640.15918	20.4
640.26587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.8
66.88763	0.9
69.25024	0.8
71.01265	1.1
71.53543	1.1
78.21829	0.8
78.95783	1.8
80.33533	0.7
80.96397	4.2
147.04346	1.0
152.99469	2.3
157.92508	0.9
201.05508	1.0
211.13411	1.4
239.11841	1.5
255.22913	0.8
277.21710	2.6
284.03293	1.1
299.05411	1.0
313.03552	1.9
314.08090	0.9
342.07397	3.8
343.08139	7.6
354.39639	0.9
356.24554	1.0
419.14703	1.5
432.15601	1.0
433.16409	9.4
434.17184	6.3
445.43796	1.0
447.18219	9.9
448.18924	11.5
449.19714	4.5
452.05441	0.9
461.19885	2.5
462.20654	12.1
463.21295	6.2
475.17981	1.7
489.19119	1.3
490.19202	1.1
492.18152	2.9
493.18814	2.8
506.19772	4.2
507.20355	7.0
508.20743	1.8
521.22021	22.0
522.22382	3.7
535.19940	2.6
550.22070	2.7
551.22638	4.0
555.28412	7.6
577.24231	1.1
580.43164	0.9
593.24591	2.6
594.24927	3.6
595.25385	1.2
608.26459	25.0
609.26880	10.4
610.27325	1.1
622.24133	4.7
637.26678	100.0
638.26965	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	637.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95314	1.4
57.03327	9.8
59.01252	47.7
60.06971	1.3
61.98705	1.6
67.01768	1.6
67.28637	1.4
69.03345	2.2
71.01256	23.9
72.99181	8.8
73.02821	5.8
75.00750	14.6
77.30552	1.3
81.03339	3.1
83.01271	4.6
83.04906	1.7
85.02826	26.1
85.03299	2.5
87.00761	20.3
89.02321	9.0
91.01791	2.3
93.03352	3.7
95.01279	4.5
95.04906	1.8
97.02840	1.9
98.19856	3.6
99.00761	16.6
99.04400	3.8
99.75130	1.3
101.02338	6.5
103.00290	3.1
108.02046	3.4
109.02844	4.0
111.00768	3.8
111.04383	2.4
113.02332	29.9
117.01871	3.0
117.03353	11.6
119.04920	22.8
119.08552	2.6
121.02858	4.2
123.04398	12.8
123.08039	1.7
125.02343	28.5
129.01807	2.4
130.99734	1.4
131.03403	2.0
132.02103	2.2
133.02806	3.1
134.03629	13.5
135.00781	3.3
135.02859	1.8
135.04419	4.5
137.02342	3.5
137.09584	11.1
139.03880	1.9
145.02866	32.6
146.03258	2.0
147.04410	5.5
148.01556	2.8
149.02339	3.9
149.05991	4.9
150.03085	1.9
152.01010	2.0
153.01826	2.9
158.26430	1.6
160.01561	9.8
161.02359	6.4
161.04491	1.9
161.09500	1.8
163.03920	22.6
165.05434	1.8
167.03419	20.3
171.10184	3.5
172.39146	1.4
173.05957	2.1
175.02377	3.6
175.03944	11.5
178.02649	1.6
179.03494	2.5
179.10684	4.6
181.08606	6.6
187.03946	2.4
188.04672	1.8
189.05406	2.1
191.05672	2.2
193.03394	2.4
193.04984	19.0
194.05463	2.2
195.13826	7.7
197.06264	1.5
197.11813	6.9
200.92487	1.5
209.11771	1.9
211.03999	2.8
211.07428	1.4
214.02644	2.2
216.07843	1.7
223.09818	1.9
227.03546	3.6
231.04999	1.9
237.07518	1.7
237.48936	1.5
239.03506	1.8
240.04256	5.1
241.10712	3.3
249.06131	15.3
255.02975	4.3
256.03708	2.7
267.07230	21.8
269.04514	1.4
270.01941	2.9
271.02292	1.9
283.02362	3.7
284.03275	49.0
285.03906	9.9
295.08224	2.0
297.03915	2.7
299.05603	75.8
300.05814	6.7
313.03522	21.7
315.14703	3.3
327.05222	2.5
328.06021	8.5
329.06470	1.7
334.09946	1.6
337.09329	2.0
343.08209	45.4
344.08578	4.2
351.10934	2.0
373.25906	20.4
374.26221	1.5
395.09729	2.8
413.10712	5.1
429.17493	4.4
431.15643	3.8
443.12332	1.5
461.18362	3.0
473.16656	3.4
491.17673	54.7
492.18112	5.9
565.96075	1.6
595.16681	7.7
605.61176	1.6
619.19604	2.1
637.21136	100.0
637.34387	16.1
638.21661	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	637.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95314	1.4
57.03327	9.8
59.01252	47.7
60.06971	1.3
61.98705	1.6
67.01768	1.6
67.28637	1.4
69.03345	2.2
71.01256	23.9
72.99181	8.8
73.02821	5.8
75.00750	14.6
77.30552	1.3
81.03339	3.1
83.01271	4.6
83.04906	1.7
85.02826	26.1
85.03299	2.5
87.00761	20.3
89.02321	9.0
91.01791	2.3
93.03352	3.7
95.01279	4.5
95.04906	1.8
97.02840	1.9
98.19856	3.6
99.00761	16.6
99.04400	3.8
99.75130	1.3
101.02338	6.5
103.00290	3.1
108.02046	3.4
109.02844	4.0
111.00768	3.8
111.04383	2.4
113.02332	29.9
117.01871	3.0
117.03353	11.6
119.04920	22.8
119.08552	2.6
121.02858	4.2
123.04398	12.8
123.08039	1.7
125.02343	28.5
129.01807	2.4
130.99734	1.4
131.03403	2.0
132.02103	2.2
133.02806	3.1
134.03629	13.5
135.00781	3.3
135.02859	1.8
135.04419	4.5
137.02342	3.5
137.09584	11.1
139.03880	1.9
145.02866	32.6
146.03258	2.0
147.04410	5.5
148.01556	2.8
149.02339	3.9
149.05991	4.9
150.03085	1.9
152.01010	2.0
153.01826	2.9
158.26430	1.6
160.01561	9.8
161.02359	6.4
161.04491	1.9
161.09500	1.8
163.03920	22.6
165.05434	1.8
167.03419	20.3
171.10184	3.5
172.39146	1.4
173.05957	2.1
175.02377	3.6
175.03944	11.5
178.02649	1.6
179.03494	2.5
179.10684	4.6
181.08606	6.6
187.03946	2.4
188.04672	1.8
189.05406	2.1
191.05672	2.2
193.03394	2.4
193.04984	19.0
194.05463	2.2
195.13826	7.7
197.06264	1.5
197.11813	6.9
200.92487	1.5
209.11771	1.9
211.03999	2.8
211.07428	1.4
214.02644	2.2
216.07843	1.7
223.09818	1.9
227.03546	3.6
231.04999	1.9
237.07518	1.7
237.48936	1.5
239.03506	1.8
240.04256	5.1
241.10712	3.3
249.06131	15.3
255.02975	4.3
256.03708	2.7
267.07230	21.8
269.04514	1.4
270.01941	2.9
271.02292	1.9
283.02362	3.7
284.03275	49.0
285.03906	9.9
295.08224	2.0
297.03915	2.7
299.05603	75.8
300.05814	6.7
313.03522	21.7
315.14703	3.3
327.05222	2.5
328.06021	8.5
329.06470	1.7
334.09946	1.6
337.09329	2.0
343.08209	45.4
344.08578	4.2
351.10934	2.0
373.25906	20.4
374.26221	1.5
395.09729	2.8
413.10712	5.1
429.17493	4.4
431.15643	3.8
443.12332	1.5
461.18362	3.0
473.16656	3.4
491.17673	54.7
492.18112	5.9
565.96075	1.6
595.16681	7.7
605.61176	1.6
619.19604	2.1
637.21136	100.0
637.34387	16.1
638.21661	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	637.1776
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
51.91155	0.2
55.53055	0.3
69.23620	2.0
69.23913	0.2
70.95396	0.2
71.79327	0.2
90.79321	0.2
109.75996	0.2
138.64120	0.2
152.48639	0.2
170.21474	0.3
186.02997	0.3
198.03108	0.9
199.03691	0.3
201.01622	0.2
202.02692	0.3
210.03178	1.2
211.03949	0.4
213.05516	0.5
214.02716	0.8
217.04912	0.2
223.04022	0.3
225.05452	1.5
226.02670	2.7
227.03354	0.7
229.01361	0.6
230.02287	0.6
239.03410	0.5
241.05026	0.8
242.02121	3.1
253.01392	0.6
254.02132	2.3
255.02956	0.4
257.04370	0.5
267.02939	0.5
268.03772	0.4
269.00961	0.4
269.04520	1.2
270.01697	8.7
271.02127	0.9
281.00934	0.8
282.01624	0.3
283.02579	1.3
284.03168	1.0
285.04044	14.2
286.04428	1.1
295.02478	0.3
297.00845	0.5
297.04034	1.7
298.01187	4.6
298.04523	0.3
299.01715	0.5
299.05566	1.2
312.02814	0.9
313.03546	45.7
314.03845	4.3
325.63797	0.3
327.05151	3.9
328.05890	11.6
329.06277	0.9
343.08224	100.0
344.08566	9.1
368.21851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23351	0.2
65.56844	0.2
68.11401	0.3
68.86340	0.2
71.01254	0.4
98.20560	0.7
98.26788	0.3
100.85619	0.2
109.72842	0.2
120.56996	0.2
134.03680	0.6
137.02376	0.3
151.00240	0.3
182.03622	0.3
193.05020	0.4
197.02408	0.3
198.03177	0.5
199.03914	0.3
201.01863	0.5
210.03163	1.4
211.03905	0.3
213.05481	0.7
214.02631	0.6
223.03889	0.4
225.01857	0.6
225.05502	2.4
226.02684	3.4
227.03506	0.5
229.01424	1.0
230.02121	0.5
239.03412	0.6
240.04135	0.6
241.01451	0.7
241.05049	0.7
242.02196	2.7
243.02980	0.4
245.04512	0.9
253.01306	0.6
254.02147	2.1
255.02766	0.9
256.03519	0.3
257.04599	0.3
267.03143	0.9
268.03897	0.6
269.00946	1.0
269.04510	1.6
270.01703	8.5
270.04636	0.5
271.02170	0.8
281.00928	1.2
282.01624	0.7
283.02554	1.8
284.03281	2.1
285.04037	18.9
286.04266	1.8
287.46591	0.3
295.02505	0.4
297.00598	0.7
297.03943	4.1
298.01227	5.5
298.04486	0.7
299.05618	3.3
300.05939	0.3
312.02811	2.2
313.03543	83.8
314.03897	7.9
314.07477	0.5
317.38477	0.3
327.05103	7.2
328.05862	30.8
329.06265	2.9
342.07455	2.1
343.08215	100.0
344.08566	10.5
434.21161	0.3
637.17712	40.7
638.18024	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	635.2512
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01225	1.0
61.98709	1.2
66.91214	0.9
68.65672	0.8
70.43938	2.1
70.44287	1.6
78.95763	3.2
83.47458	0.8
95.60197	0.9
108.65950	0.8
156.20761	1.1
175.54181	1.1
255.23289	1.8
281.72092	0.9
419.18839	1.5
430.14359	2.4
431.18732	3.5
433.20529	1.2
443.14914	1.7
445.16733	3.4
458.17374	3.1
459.18890	1.4
473.15118	1.5
473.20557	1.4
474.16806	6.2
475.17722	4.1
487.17923	2.4
488.18735	5.3
489.19174	3.4
490.19986	5.1
501.19238	1.5
505.22504	3.8
516.18115	1.9
529.18774	2.0
549.21686	2.5
575.22876	13.9
576.23596	8.4
577.23785	1.7
603.22321	2.5
635.25110	100.0
636.25446	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	635.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24332	0.6
59.01255	6.8
61.98700	0.9
62.60292	0.8
66.96968	0.6
71.01234	4.3
79.31806	0.6
85.02795	1.0
87.00734	0.9
89.02318	5.4
93.57864	0.6
101.02303	1.9
113.02316	1.8
119.03370	1.8
171.10167	0.9
179.05553	2.3
201.05559	0.8
211.13234	0.7
225.01959	0.9
229.25876	0.7
239.03413	2.1
254.05823	0.8
267.03125	1.3
268.03812	1.1
269.00903	2.5
270.01361	0.8
275.20175	1.0
283.02588	3.4
284.03217	2.3
293.21292	1.1
294.01746	0.9
296.03412	0.9
297.00613	1.5
298.04852	1.8
299.05566	1.6
308.03000	0.7
309.04233	1.0
311.02017	4.3
311.05051	0.9
312.02661	4.1
313.03500	1.9
313.07172	2.1
314.07864	2.3
325.03391	1.5
326.04312	6.3
327.04993	3.8
327.21704	1.4
328.05804	1.0
337.03598	0.9
338.04251	0.8
339.05133	0.8
340.05945	0.8
341.06607	5.6
341.10867	13.2
342.07434	22.7
343.07916	4.9
353.02905	2.4
353.06799	0.9
355.08496	0.7
356.09042	15.6
358.03366	1.0
365.06461	2.0
367.08362	1.4
369.09671	1.5
379.08337	1.4
380.08884	0.8
383.07910	3.2
388.08017	13.7
389.08295	0.8
391.07977	0.8
395.11472	3.7
409.13205	1.1
419.11011	1.2
421.12930	1.3
423.10458	0.9
433.12857	3.5
434.13617	1.1
437.12387	0.9
463.17535	3.0
470.58313	0.7
507.16910	0.9
526.13635	0.7
537.21167	1.9
566.21661	0.7
577.25012	2.6
587.22443	0.9
605.23828	3.3
606.23816	0.8
617.27649	5.0
635.28601	100.0
636.28937	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01960	0.4
52.49113	0.4
59.01249	1.8
61.98691	1.2
71.01245	0.6
73.94368	0.4
75.94479	0.4
78.95781	0.5
85.02843	0.5
87.00724	0.9
98.19795	1.4
98.57886	0.4
101.02350	0.4
103.04066	0.4
125.02212	0.4
137.02365	1.1
146.03603	0.4
147.04437	0.6
149.02376	0.5
153.36386	0.4
153.75372	0.5
161.02391	0.5
163.00325	0.5
163.03922	0.6
172.05173	0.6
177.01822	1.1
209.11607	0.5
215.48936	0.4
227.03442	0.6
230.69521	0.5
235.76346	0.4
242.02209	0.7
243.03394	0.5
265.05008	0.6
270.01691	0.8
283.02530	0.5
293.04547	0.9
299.02097	0.5
302.05621	0.5
309.03952	1.2
312.02774	0.8
313.03433	1.6
323.05664	0.7
324.06461	0.9
327.05054	1.0
337.03528	1.8
339.05139	1.0
341.06680	0.5
342.07608	2.3
343.08200	0.7
345.11478	0.6
351.05191	0.8
352.05554	0.9
356.08850	0.8
359.09052	0.5
361.07181	2.3
363.05090	0.7
364.05533	0.7
365.06409	0.7
367.08377	0.8
369.09778	1.9
375.04517	0.6
375.08740	1.9
377.06735	0.7
378.07278	0.5
379.07919	1.0
381.10107	0.6
382.10608	2.5
383.11377	0.7
388.08133	0.7
389.06195	2.3
389.10922	1.1
393.09982	0.8
395.11545	0.5
403.08133	1.9
404.08524	0.6
405.13913	2.4
407.11063	0.8
408.12134	0.6
411.10779	0.9
415.12201	0.6
417.09735	1.3
418.10544	1.4
419.11069	2.2
421.13107	0.7
431.11404	0.6
433.12900	28.1
434.13147	3.4
435.14008	0.7
447.14484	4.1
448.15393	3.0
463.17639	17.2
464.17807	2.8
537.21112	0.8
577.23938	0.5
587.22809	1.8
605.24054	4.0
606.24158	1.0
617.27686	4.0
618.27887	0.6
620.26758	0.7
635.28571	100.0
636.28961	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	634.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82057	0.2
59.01258	0.2
61.98704	100.0
73.60907	0.2
78.24671	0.2
78.95788	0.3
80.96368	0.4
83.20640	0.2
100.86270	0.2
103.68318	0.2
115.05542	0.2
121.02851	0.2
125.25861	0.2
151.46918	0.3
171.10223	0.3
187.48701	0.2
209.11925	0.3
269.01083	0.3
283.02618	0.3
284.03314	0.4
297.00421	0.3
312.02795	0.6
313.03699	0.7
314.08054	0.3
328.06039	0.4
342.07483	2.9
343.08115	1.5
355.02759	0.3
440.42096	0.3
463.17853	0.8
577.27112	0.8
634.75330	0.3
635.28607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86463	0.8
55.01749	0.9
57.03333	5.8
59.01252	64.3
60.01573	1.3
61.98700	1.9
70.01060	1.7
70.01456	2.1
71.01256	19.8
71.04877	1.6
71.52549	0.9
71.98763	0.7
72.99190	2.1
73.02820	8.1
75.00742	1.7
77.51517	0.9
78.04648	0.9
80.48730	0.9
83.01262	3.1
83.04902	2.5
85.02824	11.2
87.00745	8.6
89.02325	5.7
89.03870	0.8
93.03368	2.2
95.01276	1.6
96.95908	1.2
97.02814	1.1
97.06419	1.9
99.00768	5.8
101.02321	15.7
107.04903	2.9
111.00681	0.9
113.02334	10.5
113.05916	0.8
119.03421	1.1
119.04921	1.2
120.05689	2.0
121.02794	1.2
125.02321	1.4
130.99693	0.9
134.03638	3.5
135.04439	2.2
137.02332	2.2
143.03409	1.7
145.02829	1.1
145.10115	1.1
147.04419	1.5
149.05943	1.6
150.03038	1.0
151.00220	0.9
152.04652	1.1
159.02905	2.8
159.04253	0.9
161.04446	12.1
161.09647	8.2
161.13306	5.4
162.10091	1.2
163.03903	1.1
163.11221	4.9
166.71426	0.8
173.04474	1.2
177.05539	1.0
177.57784	0.9
187.11188	11.3
188.11542	1.2
189.09073	4.2
191.03340	1.0
193.05029	4.3
205.12241	8.5
207.10226	9.8
209.11800	1.0
223.13362	25.9
224.13597	1.9
232.06145	0.8
249.05991	1.7
249.11316	10.6
250.07256	1.9
251.11311	16.0
253.04996	1.3
267.07056	1.3
267.12344	12.1
295.10034	1.0
343.08167	1.8
370.00009	0.9
383.15567	51.1
384.15906	5.3
387.09155	1.4
464.18854	1.0
471.13013	1.8
477.54456	1.0
615.26208	2.7
630.43237	1.0
633.27649	100.0
634.28082	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	633.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
59.01256	8.4
61.98700	1.1
69.22823	2.4
69.23241	3.8
71.01252	3.2
73.02818	1.2
73.65992	0.6
85.02833	2.0
87.00758	2.3
93.03350	1.1
98.20523	1.1
101.02336	2.3
112.14593	0.7
113.02334	2.3
117.03354	7.6
119.04921	53.8
120.05261	2.5
121.02843	0.8
124.36197	0.6
134.03641	4.8
135.04257	0.6
140.54645	0.7
145.02859	18.7
159.52940	0.7
160.01654	0.9
161.04523	0.9
163.03926	100.0
164.04276	4.4
165.03976	1.3
175.03938	1.9
193.04977	3.1
205.12187	0.6
219.88171	0.6
223.13376	1.3
241.10817	0.8
253.05043	3.9
267.12271	0.7
269.10257	0.8
383.15814	1.1
457.13687	2.3
589.19165	5.7
633.18195	1.1
633.27673	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	633.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.2
59.01250	5.0
61.98703	0.3
67.02103	0.2
67.02462	0.2
71.01249	2.4
72.99175	0.5
73.02815	2.5
75.00746	0.2
76.37283	0.2
83.01250	0.3
85.02839	0.8
87.00755	0.7
89.02321	1.6
89.03822	1.6
98.20553	0.6
99.00761	4.2
99.01349	0.3
101.02331	1.3
106.04139	0.4
109.71455	0.2
113.02324	1.4
117.03348	5.2
119.04949	0.4
121.02797	0.3
125.02328	0.5
131.03387	0.4
132.02071	3.4
134.03632	86.8
135.03947	3.1
137.02353	0.7
147.04427	0.4
149.04659	0.4
149.05989	7.1
150.06339	0.5
160.01572	11.7
161.01927	0.5
161.04568	0.2
163.03886	0.8
165.03998	0.5
175.03929	11.7
176.04359	0.4
178.02626	1.5
187.27939	0.2
191.05602	0.7
193.04991	100.0
194.05322	5.7
203.05614	0.2
209.11871	0.3
327.96884	0.2
397.15042	1.0
457.17114	0.7
597.85590	0.2
633.22217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03333	4.5
58.84852	0.8
59.01258	72.4
61.98697	2.8
71.01261	21.3
71.04908	0.9
71.54220	1.4
71.54582	1.1
72.26578	0.8
72.99178	2.9
73.02825	9.4
75.00733	1.9
83.01245	3.0
83.04913	1.5
85.02827	10.7
87.00756	12.9
89.02323	9.0
90.93967	0.8
93.03342	2.6
95.01265	2.4
95.04873	1.2
96.95930	2.1
97.02827	1.9
97.06453	2.4
99.00773	8.1
99.04429	4.5
101.02331	20.2
101.70232	0.9
107.04903	3.4
109.02875	2.1
111.00783	1.4
113.02338	12.7
119.03399	1.7
119.04895	1.8
119.14462	0.9
120.05726	1.0
121.02847	1.6
125.02334	2.7
125.05958	1.0
129.01851	1.5
130.99753	1.3
131.03377	1.3
133.06485	2.2
134.03636	3.2
135.04430	2.6
137.02403	1.9
137.09665	1.1
143.03458	2.1
145.02887	1.7
147.04407	1.7
149.04500	1.8
149.05989	2.2
151.00299	1.4
151.03941	2.2
155.03435	0.9
159.02885	2.3
159.04353	1.9
159.08061	1.4
160.01601	1.5
161.04462	13.7
161.09628	8.2
161.13245	5.4
163.03932	3.3
163.11284	4.4
164.04663	0.9
167.53177	0.8
173.04504	3.0
175.03925	3.3
177.05598	1.2
179.10776	1.2
181.08685	1.3
187.07593	1.0
187.11244	12.1
189.09152	3.1
191.03406	1.2
191.05513	2.8
193.04980	6.8
197.11784	1.4
203.03459	0.9
203.10689	1.5
205.12286	4.9
207.10201	7.6
221.08261	1.0
223.13368	25.1
224.13678	1.7
249.11345	13.6
251.11334	15.8
255.06653	1.1
267.12415	12.0
300.02649	1.1
313.03641	1.1
314.04230	1.1
351.13062	1.5
369.13937	2.7
383.15643	50.3
384.15887	3.6
487.12793	1.1
589.29083	4.7
609.30518	1.3
609.80396	1.3
615.26178	2.6
633.27716	100.0
634.28137	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	633.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51928	4.9
58.58075	5.8
75.33893	5.4
85.02826	8.0
91.65080	5.1
93.03324	11.9
105.30434	4.8
109.02863	6.4
111.04388	8.7
121.02812	9.2
124.01571	7.1
137.02333	15.5
138.03120	8.1
147.04404	8.4
155.03366	8.2
159.04430	95.0
160.05142	18.2
161.05969	32.2
173.04436	18.2
173.05989	21.8
175.03851	5.4
187.03976	6.6
187.07431	6.0
191.05530	30.2
203.03394	6.9
228.04305	9.5
251.07094	20.1
256.03867	7.9
271.06128	7.6
277.05109	9.8
279.06516	10.6
280.07022	6.6
282.05368	7.1
295.06070	17.0
297.07687	43.0
311.09073	6.7
312.09976	34.1
323.05469	12.0
325.10962	5.4
327.12393	100.0
327.19882	5.0
328.12799	14.6
353.10251	23.2
371.11340	66.5
372.11844	9.6
379.07901	6.9
397.09326	79.2
398.09631	11.5
408.73230	5.1
415.10254	26.9
423.07245	51.8
441.08136	8.9
615.13672	13.1
633.14679	66.3
634.14886	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	633.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00327	0.3
55.01756	0.4
56.70825	0.2
57.03325	0.4
59.01251	6.5
61.98696	1.1
62.08341	0.2
67.01768	0.2
69.03309	0.5
71.01262	3.1
71.04919	0.2
72.99175	0.5
73.02811	1.5
75.00744	0.6
82.30381	0.2
83.01273	0.6
85.02813	2.1
87.00760	2.1
89.02321	1.0
93.03333	1.2
95.01264	0.5
96.95898	2.6
99.00723	1.2
101.02322	1.9
109.02834	0.5
111.00743	0.3
113.02349	1.8
117.03352	6.3
119.04919	56.2
120.05241	1.9
121.02825	1.3
123.04342	0.3
125.02341	0.6
132.02060	0.5
134.03647	1.3
135.04410	0.6
137.02362	1.1
143.03336	0.4
145.02863	17.3
146.03249	0.8
147.04413	1.0
148.05205	0.4
149.05995	0.8
152.03439	0.7
153.01891	0.3
159.02982	0.3
160.01616	1.0
161.02304	0.3
161.04471	1.0
163.03923	100.0
164.04247	5.2
171.04370	0.3
171.10187	0.7
173.04459	0.6
173.05898	0.5
175.03912	1.7
191.03389	0.3
193.04991	1.7
209.11711	0.3
211.13300	0.4
219.03014	0.3
225.05458	0.3
249.06204	1.0
253.05058	9.1
254.05469	0.8
261.11478	0.3
268.03760	0.9
269.10403	0.7
283.06165	1.2
313.03387	0.4
343.08316	0.7
371.09857	0.5
383.13397	1.3
401.14441	0.5
443.15622	1.0
589.19135	4.6
589.26770	0.2
590.19580	0.9
633.22333	0.9
633.28143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47261	3.5
59.86153	2.9
67.01768	2.9
69.47753	20.8
71.01256	3.5
85.02807	5.6
87.00764	5.2
89.76027	2.7
93.03332	28.2
95.96901	3.2
98.19854	3.6
109.02843	4.4
111.04440	4.5
121.02838	6.9
123.00778	5.4
125.02300	5.3
137.02370	11.1
138.03148	6.6
143.04964	3.1
147.04384	7.0
149.05995	3.1
153.05476	5.6
155.03413	7.5
159.04431	80.2
160.05290	15.4
161.05991	29.2
173.02281	5.2
173.04466	97.2
173.05992	23.6
175.04001	3.9
187.03859	8.2
191.05559	27.6
203.03397	10.3
217.01387	4.5
251.07121	13.5
267.06750	3.2
269.08121	7.8
271.06281	8.4
277.05023	6.9
279.06607	9.7
282.05371	8.8
286.08215	4.9
295.06152	6.6
296.07028	3.3
297.07748	34.9
297.10825	5.9
310.08508	5.4
312.09988	23.6
323.05539	7.6
325.10623	8.9
327.12338	100.0
328.12775	10.4
338.08029	6.3
351.08792	5.4
353.10291	25.8
371.11349	76.4
372.11664	5.7
397.09308	56.2
398.09564	5.4
415.10309	43.2
423.07266	33.5
441.08380	25.3
459.09283	8.8
589.15826	4.7
615.13422	13.6
633.14569	77.1
634.14948	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	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20875	1.2
59.01255	2.0
60.28140	1.3
67.01761	4.4
71.01222	1.7
71.52507	1.7
74.44077	1.4
83.04897	1.3
85.02812	11.4
86.64162	1.3
87.00756	7.4
93.03331	15.8
99.00800	1.5
109.02821	1.9
111.04408	3.1
121.02892	2.2
127.03944	3.4
137.02383	2.3
138.03175	2.5
147.04384	1.7
159.04416	15.6
160.05165	2.7
161.05959	2.5
163.03886	1.7
173.02371	2.3
173.04469	4.5
173.05879	3.0
175.03957	1.6
184.32076	1.4
191.05539	100.0
192.05902	4.3
199.03923	1.6
203.03490	1.8
217.01379	2.3
249.05557	3.0
251.07187	3.5
251.63429	1.8
277.05048	7.3
278.05817	1.7
279.06595	2.9
293.04572	5.4
294.05304	3.3
295.06042	2.5
297.07635	7.1
305.04605	4.5
312.10040	3.8
321.03995	5.1
321.07568	2.0
322.04773	2.7
323.05499	5.8
323.09073	2.7
325.10748	2.3
327.12451	7.6
336.06552	2.6
337.07043	3.7
338.08008	5.8
351.08630	5.1
353.10257	16.4
354.10641	3.1
371.11270	2.7
379.08286	6.6
397.09274	6.0
415.10391	1.6
423.07211	49.8
424.07587	5.4
545.16766	2.2
589.16089	3.4
615.13757	4.0
633.14557	14.7
634.14496	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	631.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52541	0.5
59.01251	7.0
66.42590	0.5
69.21738	1.1
69.22142	4.8
71.01243	3.9
72.99170	0.6
73.02823	1.5
75.00737	0.8
78.06770	0.5
78.75140	0.5
85.02834	1.7
87.00744	1.6
89.02322	1.0
89.03843	2.1
93.88057	0.6
98.19813	0.9
99.00750	1.4
101.02312	2.7
109.02882	0.8
113.02319	2.4
117.03368	6.2
119.04910	0.8
121.02847	0.7
124.16560	0.7
125.02355	1.0
132.02042	2.0
133.02895	0.7
134.03633	84.7
135.03911	4.3
136.01578	0.6
137.02391	0.8
149.02371	1.2
149.05975	7.3
149.70802	0.6
150.03183	0.6
151.03912	0.7
153.01804	0.7
155.32243	0.5
160.01576	8.3
160.04233	0.6
161.04448	1.1
163.03944	0.8
164.04686	0.7
165.05565	0.6
175.03925	11.9
176.04291	0.6
178.02660	2.4
189.01836	0.7
191.03493	0.6
191.05563	0.8
193.04993	100.0
194.05324	6.0
237.09781	2.3
343.08096	0.7
351.13040	1.0
369.14081	0.9
385.33136	0.6
411.14871	1.0
587.20044	2.4
595.17175	2.0
631.21808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68176	0.7
59.01244	2.7
61.98702	1.3
71.01269	1.0
71.53162	1.1
75.00741	1.4
78.95785	1.2
85.02809	1.3
87.00740	1.6
99.00732	0.8
121.02856	0.9
124.32442	0.8
137.02351	1.3
143.04976	1.1
146.03723	0.8
147.04404	1.1
159.04425	8.2
160.05070	0.9
169.06526	1.8
171.04459	2.6
172.05225	19.4
173.05887	2.9
175.00331	1.2
185.05988	2.7
186.03249	1.3
186.06799	4.2
187.04027	1.3
187.07585	17.4
188.04706	1.5
188.07930	0.9
197.06032	3.5
198.03275	1.2
199.03900	1.0
199.07518	1.2
200.04738	10.5
201.05508	1.7
203.07066	1.0
204.46249	0.8
210.03197	1.5
211.03842	1.5
211.13354	0.9
212.04745	1.6
213.05536	2.4
214.02649	1.0
215.07095	100.0
216.07452	7.2
225.05544	1.1
226.02663	3.4
226.06302	1.0
227.03503	1.8
227.07068	5.0
231.06584	3.1
239.07208	1.5
240.04167	3.2
242.02162	2.8
242.05853	1.2
247.09662	1.4
254.02151	2.3
255.06630	19.3
255.09286	1.3
256.07086	1.9
257.08182	2.4
269.01074	1.3
269.04446	0.9
270.01682	9.0
271.02118	1.0
283.02530	1.2
284.03183	1.1
285.04068	11.9
286.04437	1.1
297.00781	1.0
297.03986	2.4
298.01166	2.7
299.05615	2.0
311.05191	0.8
312.02783	2.1
313.03543	48.7
314.03937	4.9
314.07355	0.9
325.03644	2.7
327.05157	4.4
328.05850	12.8
329.06293	1.2
342.07498	4.4
343.08203	83.5
344.08603	9.3
355.08136	2.1
381.09857	1.4
425.08652	2.4
556.13611	6.3
557.13824	1.0
581.14508	2.1
599.15503	1.5
631.38776	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	631.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63670	0.7
57.48693	1.0
59.01252	0.8
66.85860	0.7
67.01763	2.2
70.02250	3.5
71.01265	2.5
89.56626	0.7
93.03340	19.2
111.04437	2.9
113.02367	0.9
119.04926	19.4
120.05238	1.2
137.02344	3.9
155.03407	5.7
163.03931	50.2
164.04333	1.9
173.04478	100.0
174.04872	4.4
265.09201	0.8
293.08813	0.8
321.63681	0.8
325.39804	0.9
337.09299	2.6
373.29654	0.9
376.31616	0.8
457.13510	3.2
605.39258	1.0
621.37262	0.9
631.18683	15.3
632.19110	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	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98687	0.7
71.45412	0.6
73.02801	1.3
85.96987	0.5
88.72425	0.5
91.34360	0.5
139.03853	0.5
142.33603	0.5
147.04439	0.5
147.13936	0.5
152.46353	0.5
152.99359	0.5
221.04259	0.5
232.93115	0.5
239.28722	0.5
437.12283	1.0
438.13080	1.6
448.78552	0.5
451.13980	2.5
452.14774	4.3
453.15021	0.9
462.12131	0.6
465.15790	0.8
466.16046	0.5
469.11853	1.0
479.17499	0.9
481.15012	9.9
481.21179	0.7
482.15411	2.1
492.17703	0.6
493.15701	1.5
494.15936	0.8
495.16812	18.5
496.17130	5.0
497.17905	0.5
498.15332	0.5
507.16818	0.9
508.17761	2.4
509.18002	2.1
510.18683	0.7
512.13525	1.0
521.14520	1.1
523.15411	0.7
523.20245	0.9
526.14764	1.4
533.18066	0.7
535.16223	2.0
536.16956	3.1
537.17438	0.6
540.16931	4.2
540.23840	0.7
541.17224	0.9
548.48822	0.5
551.19397	47.5
552.19653	10.7
554.17554	1.7
555.18854	2.4
567.18933	0.8
568.16180	1.1
572.15369	3.0
573.15216	0.6
583.22308	0.6
586.17444	2.5
595.09412	0.9
595.18329	9.9
596.19031	2.9
627.20874	100.0
628.21204	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59419	0.8
59.01255	2.6
61.98697	2.5
64.00272	0.9
69.50134	0.8
71.01249	2.0
71.52969	0.9
82.69492	0.8
85.02818	1.2
87.00773	3.2
91.05328	0.9
101.64107	1.0
105.47348	0.8
113.02370	1.1
121.02847	1.2
130.99773	1.1
137.02388	1.6
139.03859	1.0
146.03717	0.9
147.04424	4.4
147.94666	0.8
149.05998	1.7
154.04137	1.2
159.04443	8.9
160.71075	1.0
161.02332	1.0
169.06470	2.0
171.04439	3.4
172.05220	20.6
173.05977	3.2
174.03145	1.3
185.05992	2.5
186.03102	1.0
186.06763	3.0
187.03873	1.2
187.07578	17.2
189.05585	1.1
191.03439	1.4
196.05354	0.9
197.06091	3.1
198.03067	1.3
199.03967	2.1
199.07564	1.9
200.04720	11.3
201.05437	1.2
210.03244	1.0
212.04729	1.8
213.05490	2.3
214.02751	0.9
215.07088	100.0
216.07433	7.0
225.05458	1.6
226.02669	3.3
227.03505	1.4
227.07077	3.9
229.08743	1.5
231.06662	2.0
239.07062	1.2
240.04359	2.0
242.02193	3.0
242.05566	1.1
247.09795	1.8
253.01346	0.9
254.02098	2.3
254.63127	1.0
255.06642	10.2
256.07129	1.9
257.08160	2.2
268.03552	1.0
270.01709	6.2
271.02060	1.1
283.02255	1.1
284.03217	2.6
285.04004	10.5
287.09171	1.6
297.00876	1.3
297.04022	4.4
298.01181	3.6
299.05670	2.3
301.11020	1.0
312.02628	2.4
313.03528	46.9
314.03876	3.6
314.07837	1.6
325.03445	2.8
327.05267	4.8
328.05850	13.1
329.06323	1.5
342.07458	6.3
343.08212	80.6
344.08588	7.3
355.08194	3.0
381.09592	1.5
425.08774	2.9
556.13733	8.5
581.14398	1.4
599.15216	1.0
631.38708	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	627.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12377	0.8
54.92889	0.9
58.03795	1.0
59.01247	2.9
59.02402	0.8
59.49730	0.8
61.78653	0.9
63.02268	2.7
65.00188	6.2
67.01772	1.2
70.02095	4.3
71.01268	2.1
73.02820	1.6
83.01266	2.7
85.02812	1.4
85.22733	0.9
89.02305	1.2
93.03336	1.3
95.01256	2.9
99.00764	6.5
106.00486	3.6
107.01268	5.6
108.02084	1.2
109.02856	7.8
109.99994	1.4
111.00768	8.0
113.02335	2.1
119.01309	0.9
120.99215	2.1
121.02851	2.6
123.00791	7.3
124.01534	2.0
124.98667	2.2
125.02331	2.5
133.02861	2.8
133.99983	1.2
135.00766	1.8
135.04439	1.2
136.98682	2.1
137.02359	2.4
137.99428	1.6
139.00261	11.6
139.03915	1.4
143.04941	2.3
145.02855	2.1
147.00848	1.0
147.04430	1.7
148.01563	2.6
148.98732	1.4
149.02332	5.7
149.99475	8.3
150.03041	1.3
151.00293	15.7
152.00952	3.2
153.01875	4.8
154.99751	3.3
157.02885	1.0
158.03580	0.9
159.04420	3.3
161.02338	4.7
163.00316	4.1
163.03928	2.2
164.00914	1.5
164.98170	4.7
165.01836	1.6
165.98969	3.7
166.99812	4.8
168.00620	6.1
169.01245	2.1
171.04430	2.6
173.02400	2.4
174.03149	2.0
175.00293	1.1
175.03915	6.1
176.01109	1.6
177.01865	3.0
177.98979	9.5
178.99796	24.0
179.03453	1.0
180.00404	2.3
181.01320	2.0
181.98466	1.8
185.02376	2.2
186.03250	1.3
187.03947	9.9
189.01878	5.7
190.02562	1.3
190.99756	1.8
191.03371	1.4
192.00557	3.6
193.01346	2.7
194.99268	3.7
197.02377	1.1
198.03145	1.4
199.03925	3.1
201.01895	3.6
202.02661	3.1
203.03441	13.1
204.04091	2.8
204.97754	2.7
205.01375	2.5
205.98540	1.1
206.02170	1.1
206.99399	1.5
207.02998	2.0
209.00740	1.3
213.01886	2.1
214.02562	2.3
215.03450	8.2
217.01401	2.8
217.04948	1.3
218.02122	1.4
219.02965	2.5
222.98782	3.3
227.03474	3.3
229.01366	2.1
230.02148	2.4
231.02936	7.6
232.03662	7.7
233.00749	1.3
233.04486	1.7
236.12608	1.0
241.01328	1.8
242.02167	2.6
243.02969	14.5
244.03494	1.8
245.00888	3.0
245.04448	1.8
246.01419	1.8
247.02446	2.8
257.00922	1.6
258.01672	3.3
259.02502	7.8
260.03033	3.0
261.00269	1.0
261.03854	2.0
269.00845	2.5
270.01459	1.3
271.02466	17.6
272.03015	2.5
286.01166	3.8
287.01990	41.9
288.02545	10.9
289.03491	5.1
297.00421	9.0
299.02060	2.9
300.02664	3.3
300.95767	1.1
301.03418	2.6
302.03467	1.4
304.02158	1.8
314.00754	4.9
315.01480	100.0
316.01773	10.5
317.02924	1.8
331.01114	1.5
332.01645	17.4
333.02380	7.3
359.71957	1.0
463.08685	1.6
475.10986	1.4
487.10855	5.2
491.10297	4.4
515.10065	2.0
527.13910	2.9
541.11652	1.4
555.13409	2.1
583.13013	4.0
584.12805	1.2
609.10620	6.8
610.11957	1.2
627.12036	27.0
627.35455	1.7
628.12494	3.4
629.59961	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	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21877	2.1
59.01234	2.4
64.73824	2.1
67.58356	2.1
71.01244	5.6
78.44848	1.8
85.02808	5.2
86.33349	2.0
95.01263	5.6
98.19760	4.0
101.02327	4.1
108.02055	79.0
109.02837	36.4
111.00725	3.3
121.02811	2.4
123.00753	7.5
123.04397	10.1
135.04422	3.1
137.02370	2.8
142.44733	2.3
149.02319	5.1
151.00246	4.1
151.03894	3.2
152.01051	87.8
153.01836	44.7
161.02405	2.0
162.03131	5.0
163.04013	2.5
166.02672	3.6
166.83492	2.4
167.03407	25.3
181.05049	3.4
195.02852	3.8
195.06595	2.1
228.59082	2.3
297.06094	11.2
311.07645	11.7
315.07175	3.8
345.09732	6.8
375.11102	4.3
421.11374	3.7
433.07291	2.9
465.10349	100.0
466.10922	10.5
507.11215	3.4
627.15576	44.8
628.15948	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	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08764	0.6
54.61911	0.5
55.01756	1.5
57.03331	1.6
58.00460	1.4
59.01251	22.3
61.98706	4.1
66.92905	0.6
69.52100	1.7
69.52512	2.8
71.01257	16.0
72.99159	1.9
73.02812	2.5
75.00761	3.2
75.01086	0.6
81.03306	1.1
83.01254	2.6
85.02823	4.3
87.00735	6.3
89.02318	12.3
93.03339	0.7
95.01239	1.4
97.02821	2.1
99.00746	2.7
101.02329	11.0
107.04869	0.7
108.02043	0.8
109.02815	1.4
111.08028	1.0
113.02333	7.1
117.03304	0.7
119.03355	3.5
119.04910	1.4
121.02830	2.7
123.04379	2.1
125.02320	3.3
133.02747	1.2
134.03654	3.0
135.04463	3.8
137.02298	2.0
139.03908	1.1
142.87556	0.7
143.03394	1.7
145.02866	1.0
147.04405	1.1
149.02307	2.3
149.04478	0.6
149.05989	2.3
150.03098	2.2
151.00293	0.9
151.03873	2.2
152.01103	1.1
153.01828	0.9
161.02370	1.0
161.04420	1.8
163.03922	2.9
165.05461	2.9
165.12769	10.3
172.06529	0.6
173.04539	0.8
175.03954	2.4
177.01868	3.2
177.05510	0.7
179.03421	0.6
179.05550	1.4
181.04912	1.0
183.13829	72.4
184.14174	5.7
190.25836	0.6
191.03381	0.6
193.05048	3.6
195.06516	1.1
209.11790	1.2
221.06619	1.3
227.12828	10.8
228.13214	0.7
235.08194	1.8
243.10330	1.0
249.06068	0.7
249.11221	0.6
259.06216	1.2
263.07785	0.6
267.06827	0.7
269.04565	1.9
269.83023	0.7
301.07217	1.4
301.10718	1.4
311.05579	2.3
329.06729	1.1
343.08041	0.8
351.10159	0.7
375.27374	3.4
397.13519	6.9
398.13806	1.0
415.14511	3.6
431.09872	1.1
449.10681	2.1
607.26160	1.3
625.27002	100.0
626.27460	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	625.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
59.01254	1.0
65.03842	0.8
67.01761	1.0
69.32084	2.2
69.32496	0.8
71.01274	0.4
73.02786	0.3
75.00750	1.2
87.00761	0.4
93.03342	1.7
98.20503	0.7
101.02294	0.3
109.02837	15.3
110.03160	0.7
112.98698	0.4
113.02325	0.4
120.26669	0.3
123.00750	0.4
137.02353	100.0
138.02679	3.4
154.65652	0.4
161.02344	0.5
163.03957	0.8
173.04483	1.2
174.04816	0.5
179.03426	0.6
226.28845	0.3
243.75687	0.3
259.06107	0.4
342.07571	0.5
405.06253	0.5
450.27832	0.7
451.10745	0.6
479.09808	45.4
480.10144	8.0
480.17032	0.4
487.09409	0.4
505.11234	1.7
506.11661	0.4
521.11047	0.5
531.09711	0.7
549.10321	1.3
619.51178	0.3
624.33270	1.0
625.36853	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	625.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	0.8
71.44852	1.7
73.02837	0.9
99.51819	0.8
134.06015	1.3
149.53488	1.0
156.74321	0.8
173.00735	0.8
175.25769	0.7
183.04164	0.8
209.11850	1.1
213.10291	9.1
214.10573	1.1
215.11905	1.0
249.93916	0.9
299.13992	2.3
325.11890	1.0
329.11450	0.9
342.12476	1.1
356.14005	1.1
384.13458	1.0
385.14291	1.8
386.15436	0.8
398.15143	1.7
405.13699	1.5
419.10770	1.3
420.16452	1.4
421.17178	1.1
432.12555	1.6
433.13068	5.6
434.13644	2.9
435.13919	1.2
447.14603	5.5
448.15344	13.1
449.15988	7.8
450.16583	1.2
462.17139	1.1
463.17691	19.6
464.18143	4.2
465.19348	1.8
475.13867	1.5
476.14581	1.2
477.19250	2.5
478.19907	3.4
479.20889	16.8
480.21414	4.2
491.17209	28.9
492.17499	6.4
505.18567	5.9
506.19470	10.1
507.20099	5.7
519.19940	1.0
520.21045	2.4
523.19696	3.3
538.22260	36.5
539.22864	11.9
593.24005	8.4
594.23981	1.8
625.26636	100.0
626.27069	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76915	0.5
57.08674	0.6
59.01253	17.7
69.03333	0.6
71.01249	11.5
72.99187	1.0
73.02821	2.3
75.00745	0.9
80.36018	0.6
81.21732	0.5
82.29031	0.5
83.01286	1.3
85.02821	3.1
85.15439	0.6
87.00742	3.3
89.02317	10.7
91.01776	0.6
95.01305	0.8
97.02817	1.1
99.00793	0.6
101.02320	9.2
111.00715	0.6
111.08069	0.9
113.02328	4.2
119.03380	2.5
121.02863	0.8
125.02337	2.4
131.03279	0.7
135.00769	1.2
143.03406	1.3
144.70699	0.5
159.85262	0.6
161.04440	1.8
165.12759	6.6
177.45901	0.5
179.05531	1.2
183.13826	55.6
184.14116	2.2
192.79486	0.6
193.04953	0.9
209.11697	1.4
221.06554	1.1
226.22064	0.5
227.12836	7.9
227.14900	0.9
235.08147	1.0
329.06674	1.0
331.08209	5.9
332.08722	0.7
397.13483	5.6
415.14551	4.5
442.81833	0.8
520.21277	0.6
546.13751	0.6
549.91620	0.6
607.25635	0.8
625.27087	100.0
626.27600	14.9
641.54675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1621
Annotation	Rhamnazin 3-glucosyl-(1->5)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.93446	0.2
59.01229	0.3
60.84001	0.2
66.44836	0.2
69.61547	1.4
69.98377	0.2
71.01244	0.3
71.20747	0.2
87.00741	0.3
98.19761	0.2
99.35126	0.2
107.08495	0.2
108.02047	0.4
109.02807	0.2
129.20047	0.2
134.03662	0.3
147.04443	0.2
152.01079	0.4
161.96219	0.2
163.03847	0.2
171.04425	0.3
183.04407	0.7
187.03958	0.3
191.05388	0.3
193.04982	0.2
199.03940	0.9
201.01881	0.5
203.03476	0.2
211.04007	0.8
213.01778	0.3
215.03473	0.8
226.02556	0.4
227.01326	0.2
227.03441	4.1
228.03860	0.3
229.01497	0.5
231.02872	0.4
242.02182	0.3
243.02963	2.5
253.01311	0.4
255.02974	2.4
257.00916	0.3
270.01584	0.9
271.02469	24.9
272.02835	2.2
281.00967	1.0
282.01489	0.3
283.02460	2.4
284.03052	0.2
299.01959	45.3
300.02304	4.5
301.03552	0.3
314.04315	15.6
315.04666	1.6
328.05756	0.4
329.06656	100.0
329.64911	0.2
329.85043	0.2
330.06976	9.7
447.11530	0.3
554.17419	0.2
623.15826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81228	0.6
54.73310	0.5
55.01776	1.3
57.03329	2.6
59.01254	14.2
61.98734	0.9
68.05807	0.5
71.01257	15.7
72.99227	2.1
73.02814	4.5
75.00790	1.9
78.34764	0.5
81.03387	0.9
83.01247	3.0
83.04951	2.1
85.02827	7.6
87.00752	8.8
89.02303	3.4
93.03341	8.4
95.01302	1.3
97.02882	0.8
99.00812	2.0
99.09412	0.5
101.02330	8.4
107.01310	0.6
108.02102	1.3
109.02896	1.5
111.00808	1.3
111.04413	5.6
113.02330	5.1
117.03448	0.6
119.03424	0.7
119.04947	0.7
121.02894	0.8
123.04520	1.1
124.01591	1.0
125.02336	1.3
127.03933	0.6
127.11221	0.9
128.01083	0.5
129.01877	0.8
130.99846	0.8
133.02916	0.8
134.03642	2.8
135.04411	1.6
137.02315	2.5
139.11221	0.5
141.12820	0.7
145.02933	1.2
147.04489	1.6
149.02425	0.8
149.06027	1.1
151.00296	0.5
152.01128	1.3
153.01926	1.2
155.03407	7.5
155.04523	0.6
159.04494	0.8
160.01593	1.1
161.02377	0.9
163.03993	1.6
165.04033	0.8
165.05516	0.5
173.04488	17.9
175.00340	1.0
175.03983	1.7
187.04030	0.9
191.04050	0.8
191.05519	3.2
193.04977	3.5
199.03839	0.7
201.05515	0.8
227.12846	0.9
249.06023	1.1
255.02942	0.7
269.21234	1.6
271.02512	2.1
283.02637	1.2
285.04022	1.8
285.20837	0.7
287.09589	0.6
287.22293	27.0
288.22620	3.0
299.01947	1.1
300.02603	0.9
301.20291	0.9
301.23871	0.7
309.04117	0.8
311.02106	0.6
328.02240	5.8
329.02710	1.3
329.06577	0.7
343.08337	0.7
349.09219	0.7
373.25977	2.3
429.15759	0.5
431.26669	5.7
432.26523	1.1
447.10223	0.6
447.16568	1.7
448.16895	0.8
449.27573	100.0
450.27951	12.6
477.19843	1.2
484.98154	0.6
501.19330	0.5
503.32678	0.6
547.08832	2.2
548.09497	1.1
579.33459	1.0
605.15253	1.4
623.12439	3.4
623.32800	70.5
624.33215	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	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.3
61.98685	0.7
67.01764	1.3
69.03332	1.0
69.40344	4.2
71.01253	6.0
72.99213	0.9
73.02827	1.8
74.05175	0.6
75.00738	2.9
77.39435	0.7
81.03339	0.7
83.01276	0.8
85.02821	4.4
87.00738	3.9
89.02334	2.1
89.03883	0.8
93.03340	8.0
95.01255	1.7
95.04896	0.6
97.02853	0.7
99.00750	1.8
101.02328	3.2
108.02055	53.4
109.02867	10.8
111.04379	0.9
113.02326	2.5
117.03349	1.4
121.02869	2.0
123.00822	0.9
123.04444	1.2
125.02422	0.9
128.03481	0.7
129.01839	0.7
132.02104	1.7
133.02867	1.9
134.03636	20.2
134.04655	1.1
135.04462	6.0
137.02335	2.9
145.02821	0.7
147.04431	1.4
149.02350	1.8
149.06007	2.5
150.03117	0.7
151.00151	0.6
151.03897	2.6
152.01059	100.0
153.01808	7.3
160.01576	8.9
161.02380	5.1
161.04510	1.6
163.03915	4.6
165.01849	1.2
165.03970	5.1
167.03363	0.8
173.04485	7.2
173.05841	0.9
174.04729	0.5
175.03943	9.2
176.04337	0.6
177.01851	1.7
178.02696	0.6
179.03423	5.3
180.04245	0.6
190.06363	0.7
191.03621	0.7
191.05545	1.2
193.04980	8.7
195.02954	0.7
195.06566	0.8
207.02908	0.7
211.06033	0.7
215.03531	0.7
222.89111	0.6
223.06099	0.9
244.07063	0.6
271.02582	1.1
271.08313	0.7
299.01965	0.8
315.07614	1.6
330.30099	0.6
333.02335	0.6
337.09283	0.6
389.16138	1.6
392.50189	0.7
429.04956	1.0
429.10397	11.0
430.10590	1.0
447.11450	41.4
448.11606	4.3
560.17615	0.8
591.13519	0.9
593.61151	0.7
605.14050	0.9
623.16138	69.0
624.16431	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	623.1617
Annotation	Rhamnazin 3-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.49270	0.4
50.49528	0.4
59.01249	0.8
70.83532	0.9
70.83877	0.5
71.01260	3.4
72.99175	0.6
73.02811	1.0
83.01256	0.6
85.02837	2.3
85.96742	0.4
89.02307	0.6
89.03851	1.2
95.01257	0.9
97.02773	0.5
99.00767	1.7
101.02323	1.1
103.74854	0.4
108.02056	54.1
109.02869	12.3
110.03180	0.6
113.02332	1.7
117.03368	2.4
121.02840	1.3
123.00829	0.6
123.04387	0.6
125.02380	0.9
132.02016	0.6
133.02856	1.5
134.03638	25.1
135.04448	6.8
146.57195	0.4
147.89146	0.4
149.05995	2.0
151.03920	1.8
152.01065	100.0
153.01770	5.2
160.01582	2.8
161.02354	4.2
161.04459	1.7
163.03917	4.3
167.03464	0.8
175.03896	2.7
177.01866	0.8
178.02596	0.5
179.03430	6.1
193.05000	7.6
202.05005	0.4
207.02924	0.9
217.05075	0.5
260.18970	0.5
271.08304	0.7
299.02081	0.7
315.07190	1.0
350.37335	0.4
355.36615	0.4
385.38623	0.4
429.04990	0.8
429.10379	10.6
430.10806	1.1
447.11453	29.1
448.11649	2.9
623.16156	57.0
624.16418	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	623.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.9
58.02054	1.9
59.01250	20.6
61.43893	2.0
61.98696	4.4
69.03329	1.7
71.01245	14.5
72.99174	4.1
73.02821	3.0
73.05701	1.6
75.00749	7.9
81.14077	1.9
83.88060	1.7
84.08271	2.0
85.02832	6.7
85.65113	1.9
87.00749	12.6
89.02356	4.4
91.01757	2.0
93.03318	4.9
95.01263	2.4
98.19772	5.7
99.00772	3.9
101.02338	8.1
108.02084	5.7
109.02856	4.9
110.20660	1.8
111.00731	3.6
113.02315	5.3
119.04942	2.4
121.02864	5.3
123.00748	3.3
123.04395	5.0
125.02309	2.8
132.02054	2.2
133.02856	12.7
134.03671	9.7
135.04398	3.7
136.01599	3.2
137.02367	9.1
139.03935	3.0
145.02882	3.5
147.00761	2.0
147.04411	5.3
147.43924	2.1
148.05209	2.0
149.02283	3.7
149.05992	4.9
150.03198	3.1
151.03911	2.6
152.01060	8.0
159.04391	2.1
160.01563	2.7
161.01070	4.3
161.02351	56.6
162.02666	3.0
163.00291	8.8
163.03857	5.1
165.01920	2.6
165.03964	8.4
165.05379	4.3
171.04393	2.6
175.03926	5.9
177.01833	14.9
178.02460	2.7
183.13821	2.7
187.00310	5.4
189.01884	22.7
190.99811	6.0
191.03377	2.2
192.04158	2.2
193.01285	3.5
193.04956	13.5
197.02275	2.0
199.03923	3.0
201.01872	3.7
202.99786	2.4
204.00583	3.8
205.01372	31.8
206.01750	3.7
211.03876	4.7
213.01781	3.0
215.03442	7.9
226.02594	3.1
227.03465	7.8
229.01376	3.8
230.99194	2.9
231.02936	2.6
233.00937	2.7
239.03430	3.8
241.05112	2.2
242.01974	3.2
243.02960	4.6
251.03307	2.4
253.04788	2.2
254.02216	3.3
255.03000	6.4
258.05377	2.6
265.01428	2.6
267.02985	4.5
267.07162	2.2
269.01135	2.1
271.02429	19.9
272.03152	3.2
281.00986	2.2
282.01596	2.5
283.02219	4.4
284.03259	2.8
285.00537	2.3
285.03882	4.6
286.04730	4.6
287.09247	6.4
297.00418	3.5
299.02005	29.2
299.05368	3.5
300.02585	4.9
301.07373	9.4
310.01245	2.9
311.02155	5.6
312.02740	4.6
313.03564	8.1
314.03867	9.4
327.05023	3.8
328.05737	3.3
329.03305	4.2
329.06738	29.7
339.01318	2.8
342.07599	3.2
343.04517	2.6
343.08231	5.7
345.07864	2.6
357.06360	4.6
358.07037	3.5
359.07843	4.2
367.04590	2.7
373.07108	11.7
375.27634	5.7
383.07761	3.3
401.06958	3.1
403.11969	14.4
417.06204	3.4
445.05658	3.8
447.11124	7.8
473.05264	3.2
475.10162	6.9
479.05783	9.9
480.06680	3.7
487.04938	2.3
489.04550	2.6
499.03217	3.6
503.09875	28.0
504.10297	5.0
519.09210	6.7
522.38324	2.5
529.07715	9.2
535.09155	4.6
547.08832	100.0
547.49384	2.3
548.09198	15.9
561.09979	2.6
579.11591	10.7
579.33771	4.6
580.12372	3.7
591.07404	12.9
608.13843	2.9
623.16125	23.8
623.25861	4.1
623.35651	7.0
624.15930	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	621.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84986	1.1
59.01248	5.5
61.68907	1.0
61.98694	15.3
67.56606	1.3
70.28814	4.1
71.01244	1.4
85.91907	1.2
87.00736	2.7
87.66706	1.2
89.02402	1.3
89.19023	1.5
123.00780	1.8
125.02328	1.4
134.03600	1.5
137.02342	10.5
151.00287	18.0
152.00827	1.9
152.04683	4.6
165.01910	1.7
166.02629	71.8
167.03276	4.7
169.04892	1.3
177.01816	2.7
178.90753	1.7
181.04980	100.0
182.05338	5.4
190.06232	2.4
191.03439	1.4
193.04968	2.1
205.04976	1.5
205.08763	1.7
207.06352	1.3
222.84846	1.2
285.04102	1.3
351.21872	1.6
357.09860	3.1
359.11295	1.5
387.10867	23.2
388.11313	3.1
402.13272	7.4
417.15546	94.1
418.15814	12.6
493.99530	1.5
638.97418	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	621.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99570	2.6
71.53433	4.7
74.63906	2.7
85.88049	2.8
101.03993	2.7
101.64751	2.7
102.87031	2.7
149.02345	5.4
284.14780	3.2
327.21298	3.6
403.19260	3.3
443.18967	7.9
444.19421	4.0
445.20288	13.2
446.21210	10.2
457.20374	5.2
458.21155	10.6
459.22592	16.8
460.22537	4.1
461.24179	4.3
471.18216	7.3
473.23996	6.2
474.21060	21.5
475.21143	5.1
485.19812	17.5
486.20651	36.5
487.21216	6.4
488.18433	9.1
489.22836	22.7
490.23465	5.6
499.21082	4.1
501.22983	100.0
502.23322	21.3
516.18115	14.9
518.23322	14.9
519.23267	5.0
527.13464	3.3
527.20941	10.5
527.28510	3.3
533.25763	30.7
545.21948	68.1
546.22223	11.8
548.20349	16.2
559.23480	9.1
561.21368	7.3
562.22308	13.5
577.24756	22.9
578.24762	5.5
580.58630	3.7
621.23578	19.4
621.40796	4.8
622.23828	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	623.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.7
61.98691	1.2
63.02267	1.0
67.73558	0.5
69.03307	1.5
70.73831	1.2
71.01246	3.5
73.02826	1.1
75.00752	4.6
80.96397	0.7
81.03322	1.3
83.01266	7.4
85.02831	1.5
87.00745	7.4
89.02318	0.9
93.03327	1.5
95.01261	2.2
97.02817	2.4
99.00769	1.0
101.02338	1.8
107.01295	3.7
109.02837	1.5
111.00766	28.9
111.04368	0.6
112.01150	0.7
112.98704	1.2
113.02318	1.1
117.03259	0.5
119.04926	1.2
120.28257	0.5
121.02827	2.5
122.03628	0.9
123.00763	5.2
124.01563	1.4
125.02339	21.5
126.02633	0.9
129.01791	0.7
130.99722	1.8
133.02805	1.0
134.03635	1.2
135.00772	0.6
135.04387	1.4
137.02330	2.3
139.00331	0.7
139.03973	1.4
142.31036	0.6
147.04437	3.0
148.05179	1.2
149.02267	1.1
149.05959	1.3
150.99133	1.1
151.00276	16.6
151.03857	0.6
152.01060	0.9
152.03432	4.6
153.01848	68.6
154.02203	2.2
159.04443	1.1
160.01582	2.5
161.02296	2.8
161.04407	0.7
163.00284	1.8
163.03914	2.7
173.05943	1.2
175.03964	1.8
177.01863	3.9
178.99817	0.7
187.03876	0.9
189.01801	1.0
191.03401	1.0
191.05492	0.9
192.00620	1.0
192.04253	1.0
193.01306	1.0
193.04996	2.9
195.02888	0.7
205.01395	2.6
209.04466	1.6
215.07068	2.1
219.02904	1.4
229.01358	0.7
237.04028	1.9
281.03006	2.5
285.07449	0.9
297.03839	1.2
309.04062	0.9
310.01285	1.2
313.03568	1.9
313.23822	0.8
325.03513	2.5
328.05664	1.1
342.07535	1.3
343.08246	3.0
347.05560	0.8
353.02942	6.4
354.03387	0.7
355.08060	1.2
368.05438	1.6
375.05127	1.3
377.07031	0.8
383.07791	6.0
391.04263	1.1
393.05954	1.5
403.04852	1.3
419.04074	1.2
421.05429	1.1
434.06223	1.0
445.05972	1.1
447.03644	3.4
447.16824	3.7
449.08722	1.7
463.06662	0.9
465.04492	1.3
467.09900	2.8
477.08298	7.3
478.08878	1.2
495.09351	100.0
496.09735	14.1
503.09845	3.1
519.09979	1.5
529.08038	3.2
530.08136	0.7
535.12866	1.3
547.08862	2.1
579.12250	0.8
605.22046	0.7
622.30444	1.1
623.10266	17.0
623.24750	1.3
623.36908	3.8
624.11078	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	623.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.9
58.02054	1.9
59.01250	20.6
61.43893	2.0
61.98696	4.4
69.03329	1.7
71.01245	14.5
72.99174	4.1
73.02821	3.0
73.05701	1.6
75.00749	7.9
81.14077	1.9
83.88060	1.7
84.08271	2.0
85.02832	6.7
85.65113	1.9
87.00749	12.6
89.02356	4.4
91.01757	2.0
93.03318	4.9
95.01263	2.4
98.19772	5.7
99.00772	3.9
101.02338	8.1
108.02084	5.7
109.02856	4.9
110.20660	1.8
111.00731	3.6
113.02315	5.3
119.04942	2.4
121.02864	5.3
123.00748	3.3
123.04395	5.0
125.02309	2.8
132.02054	2.2
133.02856	12.7
134.03671	9.7
135.04398	3.7
136.01599	3.2
137.02367	9.1
139.03935	3.0
145.02882	3.5
147.00761	2.0
147.04411	5.3
147.43924	2.1
148.05209	2.0
149.02283	3.7
149.05992	4.9
150.03198	3.1
151.03911	2.6
152.01060	8.0
159.04391	2.1
160.01563	2.7
161.01070	4.3
161.02351	56.6
162.02666	3.0
163.00291	8.8
163.03857	5.1
165.01920	2.6
165.03964	8.4
165.05379	4.3
171.04393	2.6
175.03926	5.9
177.01833	14.9
178.02460	2.7
183.13821	2.7
187.00310	5.4
189.01884	22.7
190.99811	6.0
191.03377	2.2
192.04158	2.2
193.01285	3.5
193.04956	13.5
197.02275	2.0
199.03923	3.0
201.01872	3.7
202.99786	2.4
204.00583	3.8
205.01372	31.8
206.01750	3.7
211.03876	4.7
213.01781	3.0
215.03442	7.9
226.02594	3.1
227.03465	7.8
229.01376	3.8
230.99194	2.9
231.02936	2.6
233.00937	2.7
239.03430	3.8
241.05112	2.2
242.01974	3.2
243.02960	4.6
251.03307	2.4
253.04788	2.2
254.02216	3.3
255.03000	6.4
258.05377	2.6
265.01428	2.6
267.02985	4.5
267.07162	2.2
269.01135	2.1
271.02429	19.9
272.03152	3.2
281.00986	2.2
282.01596	2.5
283.02219	4.4
284.03259	2.8
285.00537	2.3
285.03882	4.6
286.04730	4.6
287.09247	6.4
297.00418	3.5
299.02005	29.2
299.05368	3.5
300.02585	4.9
301.07373	9.4
310.01245	2.9
311.02155	5.6
312.02740	4.6
313.03564	8.1
314.03867	9.4
327.05023	3.8
328.05737	3.3
329.03305	4.2
329.06738	29.7
339.01318	2.8
342.07599	3.2
343.04517	2.6
343.08231	5.7
345.07864	2.6
357.06360	4.6
358.07037	3.5
359.07843	4.2
367.04590	2.7
373.07108	11.7
375.27634	5.7
383.07761	3.3
401.06958	3.1
403.11969	14.4
417.06204	3.4
445.05658	3.8
447.11124	7.8
473.05264	3.2
475.10162	6.9
479.05783	9.9
480.06680	3.7
487.04938	2.3
489.04550	2.6
499.03217	3.6
503.09875	28.0
504.10297	5.0
519.09210	6.7
522.38324	2.5
529.07715	9.2
535.09155	4.6
547.08832	100.0
547.49384	2.3
548.09198	15.9
561.09979	2.6
579.11591	10.7
579.33771	4.6
580.12372	3.7
591.07404	12.9
608.13843	2.9
623.16125	23.8
623.25861	4.1
623.35651	7.0
624.15930	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	621.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90086	3.2
51.20677	2.8
53.50864	3.6
59.01254	93.2
66.17116	3.9
70.73206	10.1
71.01257	35.3
73.02821	6.2
83.01307	3.9
83.65572	2.9
85.02826	9.6
86.10941	3.5
87.00755	34.4
89.02321	32.4
93.03331	3.9
99.00742	4.8
99.04425	4.1
101.02316	26.1
108.02066	4.9
109.02843	6.1
113.02325	15.4
117.05470	28.5
119.03385	14.5
121.02859	4.0
125.02305	6.0
137.02393	4.7
138.03098	7.9
147.04433	10.1
147.06529	11.8
159.04411	50.8
160.05124	7.4
161.04610	5.0
161.05907	19.4
163.03912	6.3
173.02319	4.9
173.04500	7.3
173.06006	13.4
175.03935	16.9
179.05540	5.4
184.88959	3.6
191.05588	19.0
193.07089	14.3
203.03415	6.1
217.01436	5.4
220.58743	3.5
235.08089	6.6
241.04901	7.0
249.05519	4.2
251.07054	8.5
255.06667	7.0
256.07388	16.5
266.05701	24.9
267.06369	4.0
268.21829	4.3
271.06168	4.0
271.09692	11.2
277.05017	10.2
279.06552	7.3
279.07376	6.9
279.10837	100.0
280.11301	5.1
281.04721	4.6
281.08212	6.5
282.08832	5.1
295.06064	10.4
296.06616	5.5
297.07706	32.9
297.11392	17.7
309.11893	32.9
312.10031	14.0
313.10715	4.0
322.04840	4.5
323.05542	12.5
323.09103	8.4
325.07083	13.6
327.12405	41.2
337.07141	8.5
338.08072	12.9
341.10532	14.0
353.10385	34.3
367.08237	11.1
371.11288	30.7
397.09268	21.8
403.10376	25.3
411.07306	7.7
415.10446	11.8
429.08313	14.6
447.09280	13.1
459.09323	5.7
621.14508	69.1
622.15143	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	621.183
Annotation	7,5',4'-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01755	3.2
57.03329	6.0
58.00467	2.6
58.05033	1.2
59.01252	32.0
61.98698	2.9
68.96470	1.2
68.99679	3.7
69.03326	3.2
71.01258	40.3
71.54276	2.3
72.99185	11.7
73.02822	3.0
74.96597	1.2
75.00750	29.7
81.03344	2.0
83.01231	2.0
85.02827	38.7
87.00758	19.6
88.20857	1.3
89.02325	12.0
93.03339	3.0
95.01275	10.7
96.95903	1.7
97.02840	1.1
99.00763	21.2
99.04436	1.2
100.43768	1.1
101.02332	2.8
103.00263	4.3
108.02051	2.3
111.00765	2.4
113.02340	44.7
115.00242	2.3
117.01814	5.6
119.04914	8.3
121.02854	4.3
123.04427	2.9
129.01845	4.7
132.02077	1.3
133.06567	1.2
134.03645	7.5
135.04413	1.7
139.03938	1.5
145.02855	4.0
146.03618	1.9
147.04436	5.6
148.05188	2.1
149.02399	1.3
149.04475	1.4
149.05969	2.7
151.04039	1.2
152.01091	1.7
159.04413	1.9
160.01581	1.7
160.05203	1.4
161.06010	1.3
162.06757	1.8
163.03940	9.3
173.02386	2.4
174.03134	9.4
175.02383	4.2
175.03891	3.4
180.62309	1.4
189.04024	1.9
191.03433	1.4
191.05479	2.2
191.07108	2.6
193.04993	8.5
202.02592	2.0
203.03380	2.3
207.05139	1.5
207.08098	2.1
209.06186	1.8
217.05020	2.1
221.06075	2.0
222.06955	1.8
223.07674	2.2
227.03629	1.9
231.04994	2.9
233.06136	1.6
235.07802	2.8
237.05637	3.8
239.07106	3.4
248.04955	1.4
249.06120	40.8
250.06387	4.0
251.07076	9.8
252.07672	1.3
255.02975	1.9
261.05670	1.8
262.06290	2.3
263.07135	6.1
264.07916	3.6
265.05054	3.8
265.08658	2.4
266.05795	1.9
267.07169	100.0
268.07437	7.4
277.05069	3.3
278.05826	2.3
279.06610	11.9
279.10239	5.3
280.07343	3.6
281.08093	1.5
282.09042	7.0
283.09729	3.4
284.03091	2.7
289.05368	1.7
293.04654	3.3
293.08057	2.8
294.05304	4.8
294.08942	6.5
295.06042	3.8
295.09586	2.8
297.11325	3.1
297.35904	1.3
305.04568	2.5
306.05313	1.6
308.06863	3.6
309.07751	7.0
310.08292	2.2
311.05594	1.8
321.07623	3.3
322.08377	3.1
323.05588	7.7
323.09299	11.7
324.05981	2.2
324.09412	2.2
326.07895	3.1
327.12701	2.1
338.08047	10.2
339.08731	4.6
341.10446	10.8
353.10284	42.3
354.10587	3.4
371.11475	5.0
385.09171	1.5
415.14169	1.9
427.14023	3.9
445.14606	1.5
447.16614	1.5
485.13086	9.3
541.16656	3.3
547.17218	1.8
571.14642	2.8
585.16382	7.9
591.17206	45.4
592.17499	7.1
603.17236	66.2
604.17413	13.5
605.68433	1.4
609.42999	1.3
621.18304	73.8
622.18567	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	621.1462
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside)
Peak:m/z	Relative Intensity
52.05695	1.5
53.39855	1.3
55.10345	1.3
57.52449	1.2
59.01250	16.3
61.98691	4.7
64.63216	1.4
68.99673	3.2
71.01256	12.6
71.67458	1.3
73.02812	2.5
75.00739	4.8
79.05405	2.2
85.02847	4.3
87.00729	9.6
88.98701	1.8
89.02325	8.1
91.05418	10.2
93.03332	6.8
95.04889	4.9
99.00770	3.5
101.02330	4.8
103.05418	6.6
105.03338	8.5
107.04935	1.5
108.02068	4.2
109.02853	5.6
112.44634	1.3
113.02355	5.2
117.03371	5.2
119.03387	2.7
119.04914	17.8
121.02841	14.4
123.04439	2.8
126.46271	1.5
129.03368	6.0
130.99777	1.9
133.02829	2.2
134.03619	7.2
135.04440	2.2
137.02367	10.8
139.03889	3.5
145.01682	1.8
145.02856	51.8
146.03671	21.0
147.04420	100.0
148.05193	12.3
149.02357	18.7
149.05991	25.8
150.03159	3.7
151.03914	2.2
153.01851	4.6
157.02988	1.7
158.03609	3.4
159.04445	6.0
161.02266	2.0
163.03912	9.4
164.04715	31.3
165.04039	2.8
165.05418	5.4
173.02332	9.5
173.04488	3.4
174.03165	12.1
175.03915	42.6
176.04324	1.8
177.05511	1.9
179.03490	2.0
179.07054	21.2
181.05003	2.0
189.01758	2.5
190.02582	1.9
191.03430	15.8
191.05417	3.3
192.04144	6.8
193.04958	5.8
202.02711	4.6
202.57759	1.4
203.03473	4.9
207.06577	4.4
217.01367	44.4
218.02144	51.7
219.02829	12.7
241.08861	1.6
243.79227	1.4
246.01559	2.1
251.89449	1.4
267.06427	1.6
271.09802	1.4
279.06494	1.9
297.04004	2.3
343.08139	3.2
353.10223	1.9
371.11328	6.4
397.09250	89.9
398.09683	18.1
403.10370	4.1
415.10309	48.1
416.10663	9.1
427.10352	1.8
441.08426	9.0
459.09265	10.1
475.15048	1.9
598.59906	1.8
603.14233	2.1
621.14020	8.6
628.69220	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	621.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34507	0.9
59.01239	3.5
65.77251	0.9
71.01242	1.1
71.09951	1.1
85.02814	1.0
87.00740	4.9
89.00215	1.1
89.02283	0.9
91.01778	0.8
93.03318	1.0
95.01244	0.8
98.03907	0.8
106.00481	0.9
109.02840	4.8
111.00771	1.4
119.41909	0.8
121.02844	8.4
123.00757	4.8
124.01550	2.0
125.02309	3.5
130.04155	1.1
131.04926	2.1
135.04393	1.1
137.02341	11.3
138.02370	0.7
138.03151	10.2
139.03903	1.2
139.26477	0.9
143.04939	1.9
145.02899	0.9
145.06447	1.5
146.03616	3.5
147.04433	9.5
149.02283	0.8
151.03899	2.1
152.04659	3.8
153.05461	5.8
158.03670	1.3
159.04420	95.7
160.05225	16.3
161.02322	3.7
161.05988	34.4
161.07378	1.4
162.06256	1.5
163.03909	7.5
164.04640	0.8
165.26019	0.8
171.04454	1.7
172.05168	3.3
173.02368	13.0
173.05984	26.0
174.03009	1.9
174.06308	1.9
175.03903	5.5
177.05475	1.8
184.03734	2.2
185.02412	1.0
186.03145	1.4
187.03926	10.6
189.05496	1.0
190.02596	1.3
191.03409	3.9
191.05525	1.1
199.03932	4.4
200.04732	1.1
203.03421	8.2
204.04182	1.7
205.05003	2.3
213.09207	1.6
217.01369	13.9
219.02867	1.4
221.06021	1.0
223.07729	4.1
225.05554	1.8
225.09026	1.4
227.03473	1.6
228.04166	2.7
229.01349	2.7
234.05206	2.1
237.05492	2.4
238.06361	1.0
239.03394	1.1
239.07117	3.2
240.04124	1.4
241.04948	2.0
241.08585	1.7
248.04671	2.5
249.05519	10.7
249.07677	2.2
250.06108	4.2
251.07109	20.0
252.07518	2.4
253.05023	2.4
253.08665	2.0
255.06599	1.4
256.03860	4.2
256.07343	2.9
261.05447	2.3
262.06320	2.5
263.06909	1.4
264.04327	1.3
265.04980	2.5
266.05804	5.1
267.06598	6.2
268.07077	1.9
269.04498	1.3
269.08160	5.2
271.06073	8.2
271.08762	1.1
272.06265	1.1
276.04269	1.6
277.05057	26.0
278.05685	7.8
279.03574	1.7
279.06619	17.6
280.03958	1.2
280.07123	2.6
281.04538	5.8
281.08121	2.3
282.05289	6.9
282.08200	1.2
283.06024	1.8
284.06912	1.1
286.08426	3.6
287.09012	1.7
291.06476	1.5
293.04456	4.5
293.07642	1.0
293.48645	1.0
294.05356	7.7
295.03098	1.7
295.06113	15.4
295.09366	0.9
296.06839	7.6
297.07672	49.4
297.11005	2.0
298.08075	6.2
299.09225	2.9
305.04507	12.6
306.05228	2.9
307.06036	3.4
308.06668	1.1
309.07687	2.3
310.08368	5.7
311.09149	8.1
312.09985	29.5
313.10425	3.8
320.06754	1.3
321.03949	3.6
321.07489	1.4
322.04712	10.3
322.08429	2.8
323.05582	32.5
323.09003	2.1
324.05936	2.5
325.07159	3.2
325.10773	11.6
326.11099	2.0
327.12350	100.0
328.12762	12.2
336.06494	2.1
337.07147	21.5
338.07880	26.4
339.08279	4.7
341.10297	1.3
351.08780	8.6
352.09045	1.7
353.10294	71.9
354.10580	8.8
367.08148	2.0
371.11331	68.5
372.11572	6.9
379.08087	1.3
382.06686	1.7
385.09476	1.1
397.09244	43.6
398.09641	6.3
403.10611	3.9
411.06958	1.4
413.12424	2.3
415.10318	39.4
416.10547	4.3
423.07224	17.6
424.07571	2.8
429.08408	1.6
441.08136	11.3
442.08514	1.4
447.09204	2.7
457.11453	3.8
459.09344	19.1
460.09888	2.1
603.13580	1.6
621.14526	45.0
622.15106	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	619.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	6.3
59.01252	96.1
60.01593	1.8
61.98698	1.9
69.03336	1.3
71.01257	23.0
71.04890	1.5
73.02827	9.2
83.01256	4.6
83.04884	2.0
85.02834	11.9
87.00753	11.8
88.02973	1.0
88.80589	1.0
88.98684	1.6
89.02322	5.1
93.03376	1.5
95.01271	2.7
97.06438	1.3
99.00758	7.7
99.04376	1.1
101.02327	25.5
107.04916	4.6
108.02066	1.1
109.06505	1.0
113.02345	12.4
118.24141	0.9
119.04940	1.8
120.05708	2.6
123.04401	1.6
125.02355	1.3
134.03622	2.6
135.04401	3.3
137.02333	1.6
143.03455	1.0
145.02884	1.3
145.10042	1.0
147.04376	2.1
149.06010	2.8
152.04718	1.1
152.47397	1.1
154.05423	0.9
159.02905	3.2
161.02361	1.1
161.04471	17.2
161.09631	12.9
161.13268	6.2
163.03906	2.7
163.11171	6.5
175.03946	1.8
181.89679	1.1
187.11209	18.6
188.11537	2.0
189.09207	5.6
190.02695	0.9
193.05019	4.0
197.11794	1.2
205.12309	9.8
207.10207	8.7
208.69572	1.0
219.02911	1.0
223.13367	30.4
224.13751	2.7
227.08250	1.5
229.79413	1.2
237.09744	22.3
249.11301	17.2
262.25046	1.0
267.12396	12.5
268.12604	1.4
351.12775	1.6
369.13998	60.0
370.14249	5.8
464.70264	1.1
501.95316	1.1
601.25793	3.8
619.26068	100.0
620.17212	1.7
620.26465	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	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34988	0.7
55.01752	1.4
57.03321	6.0
59.01253	78.7
70.67564	1.9
71.01257	18.4
72.99171	2.1
73.02828	6.7
75.00750	1.1
81.03332	0.9
83.01250	2.5
83.04903	2.5
84.61369	0.6
85.02831	9.4
87.00751	8.2
89.02318	5.5
93.06950	0.8
95.01260	2.0
97.02809	0.7
97.06436	1.1
99.00765	4.7
99.04435	0.7
101.02329	19.0
104.22923	0.7
106.12269	0.7
107.04907	3.5
111.00786	1.0
113.02335	10.5
113.69583	0.6
117.25497	0.6
119.04920	1.5
120.05704	1.2
123.44760	0.7
125.02346	1.2
129.01869	1.0
133.06523	1.1
134.03624	0.8
135.04402	2.3
137.02332	0.8
143.03409	1.8
145.02838	1.8
147.04317	0.7
149.02454	1.0
149.06055	0.7
152.04697	1.0
157.06561	0.9
159.02879	2.3
161.04463	13.5
161.09627	9.1
161.13222	5.2
163.04008	0.9
163.11201	5.8
179.10794	1.0
187.11235	12.0
189.09142	5.0
193.05000	1.1
205.12271	9.8
207.10194	10.5
207.11987	1.2
223.13362	26.0
224.13722	2.7
237.09778	20.9
249.11324	13.0
250.11565	1.1
267.07196	2.5
267.12329	11.8
268.12671	0.9
279.10663	0.7
302.78940	0.8
343.08163	0.9
351.12881	1.0
363.66397	0.8
369.14023	52.0
370.14334	2.9
371.88477	0.7
411.39825	0.8
411.88452	0.8
413.11621	0.8
471.25830	1.1
473.12735	3.1
619.26056	100.0
620.17999	0.8
620.26459	17.9
620.34473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.3
59.01252	100.0
61.98705	7.3
67.75185	1.6
69.03346	1.8
69.82233	7.7
71.01254	27.4
71.04899	2.2
72.99179	2.6
73.02822	12.0
75.00748	8.3
82.27779	1.2
83.01285	2.2
83.04898	3.2
85.02823	10.3
87.00758	18.9
89.02319	6.5
89.30959	1.2
93.03333	2.5
95.01267	2.9
96.95898	6.6
97.06464	1.8
99.00762	8.8
99.04365	1.6
101.02322	24.0
101.36333	1.4
102.02696	1.5
107.04918	4.1
113.02335	13.2
119.04915	5.8
120.05730	2.2
121.02789	1.6
121.06468	1.5
123.04362	2.2
130.99809	2.6
134.03629	4.8
135.04413	3.3
137.02338	3.7
143.03447	2.2
147.04375	2.0
149.05968	4.6
159.02910	4.9
160.01564	6.2
161.04475	15.4
161.09604	11.0
161.13301	8.5
163.03893	6.9
163.11189	5.2
165.05489	1.9
173.04411	1.9
175.03981	8.1
182.99709	1.5
187.07278	1.4
187.11205	14.0
189.09149	6.5
191.03448	2.2
191.05394	1.8
193.04994	7.7
205.12279	9.1
207.10178	9.7
223.13347	33.2
224.13696	2.1
237.06079	3.5
237.09753	23.9
237.14848	2.5
249.11337	19.5
250.11755	1.6
267.12332	14.2
281.13956	4.2
295.08301	2.9
296.18182	1.4
337.09381	4.4
338.09518	1.9
369.10660	3.0
369.14038	51.8
370.14346	3.3
575.30847	2.8
601.24994	1.4
619.26031	93.3
620.26727	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	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90800	0.1
54.29449	0.1
55.01755	0.2
57.03320	0.1
59.01255	5.0
61.13081	0.1
69.03316	0.1
70.69634	0.2
71.01254	2.1
72.99194	0.3
73.02816	1.1
75.00761	0.1
83.01257	0.3
85.02818	1.2
87.00760	0.2
89.02332	0.4
89.03838	1.6
91.01797	0.1
95.01268	0.2
97.02814	0.2
99.00774	0.5
101.02323	1.7
101.31381	0.1
103.99121	0.1
106.04112	0.4
107.04935	0.2
112.01534	0.1
113.02330	1.3
117.03349	4.9
118.03697	0.2
119.04920	0.1
121.02820	0.1
125.02345	0.2
131.03377	0.1
132.02078	2.8
133.02493	0.1
134.03635	75.1
135.03966	3.1
137.02351	0.4
139.03967	0.1
143.03407	0.2
147.04491	0.1
149.05988	6.3
150.06303	0.3
159.02884	0.1
160.01573	9.6
161.01892	0.4
161.04453	0.8
175.03928	12.0
176.04237	0.7
178.02631	1.3
193.04994	100.0
194.05327	5.7
203.07005	0.1
247.73907	0.1
269.10294	0.9
311.11328	0.1
342.70859	0.1
353.12415	0.1
383.13507	1.4
384.13739	0.2
401.14511	0.5
425.14380	0.3
443.15594	1.4
444.15930	0.2
495.93646	0.1
556.24536	0.1
619.20325	1.4
620.20874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.1
61.98685	2.4
70.80219	1.1
71.01243	8.8
72.99197	1.5
73.02814	3.6
83.01277	2.2
83.01731	1.0
85.02836	3.4
87.00763	7.8
89.02313	3.9
90.42959	1.1
93.03336	1.6
95.04907	1.4
96.95931	1.3
99.00770	5.7
101.02328	4.4
105.03310	1.4
113.02328	5.9
116.92738	4.8
119.04922	2.1
121.02817	3.2
121.91424	1.2
125.02282	1.4
133.02853	55.9
134.03284	2.5
137.02330	2.6
146.03629	1.4
147.00858	1.5
147.04398	11.6
148.05113	1.8
149.04810	1.3
149.05983	3.2
159.04414	2.0
163.03917	1.6
172.05229	3.4
173.06004	3.6
174.03069	1.7
175.03902	2.1
175.07587	2.1
185.06010	3.1
186.06743	2.0
187.04018	1.5
187.07602	2.7
189.05455	1.9
191.03386	3.1
192.04115	2.8
193.04872	2.7
199.07584	2.1
201.09074	4.1
202.06407	1.5
209.06052	1.4
211.13350	2.9
215.03633	1.4
215.07120	2.4
215.10710	1.7
217.01276	1.5
224.08415	1.5
225.09169	1.6
229.08717	2.7
230.17519	1.2
230.19829	1.3
239.10748	100.0
240.11015	10.1
243.02884	1.8
243.06561	1.3
243.10281	2.3
244.11131	1.3
245.08018	2.4
250.01360	1.2
267.06561	2.4
281.50882	1.5
285.04041	2.1
286.04855	3.4
297.14902	2.2
313.03488	4.8
341.17685	2.3
343.08194	1.6
372.97430	1.5
494.11890	2.3
522.11975	1.7
533.20123	13.5
575.21301	13.2
575.34460	5.7
576.21405	1.9
619.28186	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	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.21380	0.8
61.07608	0.8
64.33794	0.9
67.11615	0.8
70.39368	2.1
70.39697	1.4
78.92218	0.8
86.49648	0.9
111.74318	0.9
137.69627	0.8
152.99400	0.9
198.16280	0.9
206.47107	0.8
285.88733	0.9
307.84607	0.9
389.14932	1.0
390.77325	1.0
401.14267	2.1
415.15536	2.2
416.16452	12.4
417.16769	2.1
429.17398	1.6
430.18149	2.3
431.18491	1.4
434.17581	1.0
458.17221	1.5
459.18262	100.0
460.18561	17.0
473.19827	15.6
474.20410	7.9
487.18277	1.2
501.19241	1.2
503.17285	3.5
517.18817	2.1
518.11768	2.0
518.19635	44.0
519.19922	7.3
532.21222	8.0
533.21912	79.9
534.22253	15.7
587.23145	7.3
619.25616	65.6
620.25891	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	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91342	0.2
59.01253	2.3
61.98695	0.6
71.01259	2.9
72.99181	0.5
73.02811	1.1
83.01248	0.4
85.02824	1.7
85.39268	0.2
87.00755	0.5
89.02345	0.3
89.03842	1.5
93.03365	0.3
95.01282	0.3
97.02850	0.2
98.06912	0.2
99.00756	0.9
99.12349	0.2
101.02328	2.3
106.04135	0.5
107.04878	0.2
111.00757	0.2
112.01551	0.3
113.02325	1.6
117.03349	5.0
119.04931	0.5
125.02389	0.2
132.02071	3.6
133.02817	0.3
134.03635	82.8
135.03957	3.3
135.90742	0.2
137.02344	0.5
138.01945	0.2
138.25092	0.2
149.05991	8.4
149.07193	0.4
150.06274	0.3
160.01575	13.8
161.01944	0.6
161.04413	1.0
163.03922	0.7
165.65874	0.2
170.30888	0.2
173.73259	0.2
175.03929	13.3
176.04320	0.5
178.02618	0.7
180.31586	0.2
191.14636	0.2
193.04996	100.0
194.05334	5.8
194.07123	0.2
269.10510	1.2
321.61417	0.2
383.13452	0.9
401.14474	0.9
559.18073	0.9
577.19244	4.4
578.19446	0.6
619.20294	1.2
620.20313	0.3
633.63464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03316	0.2
59.01252	5.8
60.49366	0.1
60.82973	0.1
61.98680	0.2
69.32071	0.8
69.32497	0.4
71.01250	2.7
72.99184	0.3
73.02821	1.5
83.01257	0.5
85.02826	1.3
87.00746	0.5
89.02316	0.6
89.03841	1.4
95.01264	0.2
96.95893	0.1
97.02838	0.3
97.06425	0.2
99.00755	1.0
101.02319	1.6
106.04138	0.4
107.04905	1.5
113.02325	1.4
116.92730	0.4
117.03347	4.3
118.03677	0.2
118.13912	0.2
118.42088	0.1
125.02341	1.0
132.02078	2.6
134.03632	76.5
135.03943	3.2
137.02362	0.8
139.03922	0.2
143.03354	0.2
147.04411	0.3
148.05200	0.2
149.05989	6.3
150.06320	0.3
159.02863	0.2
160.01570	9.3
161.01912	0.4
161.04422	1.0
175.03932	12.0
176.04242	0.7
178.02609	1.2
179.03497	0.2
193.05000	100.0
194.05334	5.6
209.11891	0.1
267.07269	0.2
269.10312	1.0
311.11435	0.2
329.08920	0.2
343.07953	0.2
383.13333	1.5
384.13635	0.2
401.14325	0.4
415.13831	0.2
417.25906	0.2
425.14673	0.2
443.15555	1.3
444.16339	0.3
530.76825	0.2
619.19818	1.6
620.20087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45918	0.5
55.01729	0.6
57.03315	2.5
59.01252	11.6
61.98707	2.7
64.41100	0.5
67.01749	0.6
68.99702	0.8
69.34190	4.6
71.01250	14.3
72.99181	4.2
73.02811	2.1
75.00748	11.3
83.01255	1.5
85.02826	13.9
87.00748	7.3
89.02316	4.8
89.03822	1.2
91.03877	0.6
93.03339	1.0
95.01261	3.4
99.00755	8.5
101.02314	1.9
103.00233	1.8
103.67279	0.5
106.58264	0.6
109.02904	1.0
111.00784	1.1
113.01527	1.1
113.02328	22.8
114.02673	0.7
115.00262	1.1
117.01834	1.6
117.03355	4.4
118.03664	0.6
129.01810	1.8
131.03427	0.8
132.02051	4.1
132.04466	0.7
133.02861	4.7
134.03633	56.0
135.04332	3.3
137.02347	1.2
147.04410	0.7
148.05159	0.7
149.05975	5.6
157.01369	1.2
160.01575	16.1
161.02365	3.9
163.03831	0.9
165.04048	0.8
175.02409	2.6
175.03903	18.7
176.04361	0.8
177.01842	1.7
178.02559	1.3
179.03433	2.7
193.03581	1.5
193.04985	37.8
194.05312	1.9
207.05002	0.7
231.05057	0.8
249.06079	10.0
252.06482	1.1
257.13098	0.6
258.13248	0.9
267.07153	38.9
268.07635	2.5
276.06418	0.9
285.04083	0.9
301.11633	0.7
313.03629	4.8
328.05853	2.3
339.15955	0.7
343.08191	12.2
344.08606	1.5
366.09399	1.0
381.11945	4.1
425.10797	7.8
426.11331	0.7
443.11935	100.0
444.12296	13.7
497.14862	0.6
548.30713	0.7
559.25702	0.6
600.25391	1.0
601.15918	0.8
601.25580	1.7
619.16669	34.3
619.26471	3.5
620.16974	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	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65097	0.8
53.83599	0.8
56.16393	0.6
57.03320	1.7
58.00466	2.2
59.01251	43.9
61.98701	1.9
63.81856	0.7
65.12112	0.8
69.66110	5.2
71.00851	2.0
71.01254	41.5
72.99178	2.5
73.02838	1.7
83.01262	3.4
85.02821	7.6
87.00756	13.2
89.02319	47.7
90.02645	1.3
95.01276	2.9
97.02808	1.1
99.00779	2.0
101.02319	19.4
104.47185	1.0
107.03333	0.8
113.02329	17.7
119.03391	15.4
119.04763	1.1
121.02840	0.8
123.75397	0.8
125.02335	1.0
130.99776	1.1
131.03401	2.5
141.09016	0.8
143.03401	5.9
147.04419	2.1
149.04466	1.3
149.06006	1.3
159.02985	0.8
159.04491	0.7
161.04460	6.0
163.03922	1.1
171.10135	4.4
172.05243	2.0
173.02383	0.8
175.03889	2.1
175.07480	0.8
179.05534	16.5
185.05978	1.9
187.03969	1.4
189.05513	1.0
191.03380	1.9
192.04065	0.9
195.13815	6.6
197.15291	0.9
199.07506	1.0
201.09155	1.0
204.04285	1.0
209.11717	3.9
211.13382	1.8
215.07098	1.5
223.13307	4.9
225.14978	2.4
228.08127	0.8
229.08569	1.3
239.10753	1.1
243.10268	2.2
245.07944	0.7
249.87070	0.7
256.13135	1.6
275.19986	4.4
285.04578	0.8
293.21222	100.0
294.21533	9.9
313.03537	3.1
315.08734	1.5
317.21164	2.2
323.09814	5.5
328.05875	1.3
335.22302	1.4
341.10880	41.5
342.11353	2.6
343.08112	3.9
345.13388	1.7
580.23920	2.1
617.24091	1.2
617.31830	3.0
618.33435	1.2
621.02924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03325	2.6
59.01251	12.7
66.71798	0.4
67.01772	0.4
68.99686	0.6
69.03349	0.5
70.20884	0.9
71.01252	15.5
72.99178	5.0
73.02815	1.9
75.00749	12.8
75.01191	0.6
80.28606	0.4
81.03345	0.4
83.01273	1.0
85.02821	17.9
86.03159	0.4
87.00749	6.4
89.02315	4.7
89.03842	1.5
91.03916	0.7
93.03355	0.3
95.01265	4.6
96.01633	0.3
98.19869	0.4
99.00758	8.7
101.02335	0.9
103.00246	1.9
108.02107	0.5
111.00758	0.6
112.01540	0.6
113.02332	23.8
114.02628	0.6
115.00274	1.3
117.01824	2.2
117.03339	5.5
119.04881	0.7
121.02827	0.6
127.03850	0.4
129.01810	1.6
131.03404	1.0
132.02074	3.6
133.02859	4.8
134.03632	62.9
135.04045	2.6
136.01541	0.3
137.02354	1.0
139.00272	0.4
139.03922	0.5
149.04764	0.6
149.05991	5.6
157.01308	1.0
160.01567	16.5
161.02353	3.8
162.02611	0.3
163.03915	0.9
175.02397	3.0
175.03896	18.6
176.04282	0.9
177.01866	1.3
178.02692	0.6
179.03389	2.2
189.03964	0.5
193.03534	1.8
193.04993	39.3
194.05325	2.6
205.04997	0.4
207.05025	1.6
212.75879	0.3
221.04471	0.4
231.05103	0.8
234.05208	0.3
249.06104	12.8
250.06377	0.5
252.06503	0.8
253.07126	0.6
267.07147	39.6
268.07541	3.0
276.06403	1.8
277.07037	0.5
281.18365	0.3
287.07211	0.3
291.08694	0.7
295.08414	0.5
348.08261	0.6
363.10718	0.5
366.09485	1.5
381.11908	3.9
383.09952	0.4
425.10919	6.7
426.11230	1.0
443.11932	100.0
444.12268	10.0
456.28958	0.3
557.16467	0.4
601.15631	0.7
619.16669	33.5
620.16907	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	617.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41210	0.9
55.01762	3.8
57.03321	1.7
58.00457	0.9
59.01254	20.8
59.37820	0.7
60.29374	0.7
63.08615	0.7
69.03318	2.3
71.01252	30.7
71.04890	20.9
71.05203	0.5
72.05231	0.8
72.99184	6.0
73.02815	9.0
79.52684	0.7
83.01253	5.6
85.02828	16.4
87.00750	5.6
89.02322	12.4
89.03851	1.6
93.03321	1.3
95.01257	3.6
97.02822	3.7
98.19796	2.2
99.00756	17.1
99.04399	13.1
101.02323	18.9
103.07490	0.9
108.02035	1.0
109.02840	1.4
111.00729	1.1
113.02328	21.8
115.03858	0.9
117.03342	5.1
119.03378	1.8
121.02798	1.4
123.04366	1.7
125.02327	2.8
125.18265	0.8
126.36497	0.8
129.01852	1.2
129.05466	8.0
131.03386	2.1
132.02046	1.0
134.03635	55.8
135.04442	3.9
137.02293	1.6
139.03883	1.1
143.03421	2.9
145.02896	1.5
147.04445	1.1
147.06532	29.7
148.05061	0.7
148.06856	1.6
149.02347	3.1
149.04468	3.0
149.05977	5.7
150.03079	1.2
151.03784	1.1
152.01042	1.3
159.02969	1.1
159.04483	1.1
160.01576	7.2
161.02362	1.7
161.04457	16.1
163.03941	1.4
164.04645	1.7
165.05466	1.3
173.04466	1.7
175.03928	9.4
177.01845	1.0
178.02571	1.3
178.24792	0.9
178.38879	0.8
179.03397	2.9
191.05582	4.9
193.04991	48.3
194.05333	2.8
194.19987	0.7
195.06534	0.8
203.07094	1.0
215.05563	2.4
223.06023	2.3
235.06119	1.0
265.07156	2.3
291.10880	3.4
309.11838	8.8
310.12317	1.0
367.10220	1.1
423.15027	50.7
424.15506	4.9
441.16104	44.4
442.16190	3.8
550.97528	1.1
585.18225	3.3
599.20032	3.7
613.38501	0.9
617.20819	100.0
618.21295	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	617.2616
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
50.18642	1.1
55.01739	1.0
59.01251	5.8
60.16385	1.0
61.98708	6.5
68.18871	1.0
71.01243	3.9
71.53656	2.1
73.02802	1.4
75.00739	5.1
85.02834	2.0
87.00732	3.9
89.02325	2.1
91.06772	1.2
94.06477	1.6
95.03632	2.5
97.02805	1.2
101.02350	2.8
101.10628	1.1
104.04917	1.3
106.06503	3.7
108.04411	3.6
108.08086	18.1
112.03932	2.3
119.04878	1.3
120.04415	1.3
121.02809	1.6
122.06008	11.0
123.04409	1.2
124.07583	6.5
130.99791	1.4
132.04451	51.8
133.05252	15.9
134.03613	5.1
134.06036	15.0
145.02849	1.2
147.04384	2.3
148.03912	2.5
149.02306	3.2
149.04768	2.5
149.05960	2.3
150.05521	26.1
152.07066	1.8
159.04329	1.3
160.05202	1.2
162.05542	5.4
163.03873	1.9
165.04189	39.1
166.04549	1.4
177.01907	1.4
186.09157	2.1
193.04988	4.4
205.04889	1.2
212.10626	1.3
213.06674	3.2
214.12308	3.5
215.11839	10.1
216.12202	1.8
221.08049	1.4
223.06035	2.7
227.08116	1.5
229.09749	5.0
229.13440	1.9
239.08342	1.2
239.11879	1.3
240.10199	4.5
241.09839	8.1
247.66853	1.1
253.13399	1.6
255.11530	6.1
257.12930	69.5
258.13290	5.8
267.11411	1.1
269.12720	1.5
271.11362	2.1
271.14517	10.3
283.10886	22.3
283.13803	2.2
284.11258	2.4
292.18179	1.0
300.11139	3.7
301.11896	29.0
302.12259	3.1
315.13837	1.1
327.09885	5.2
328.17172	1.1
354.39078	1.1
358.06964	1.4
431.18539	1.3
448.18958	1.6
555.25842	2.5
557.24005	26.8
558.24408	3.1
573.27448	2.9
585.23834	2.8
599.25104	100.0
600.15900	1.1
600.25403	21.2
617.26141	52.0
617.36023	2.6
618.26416	15.5
618.35498	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	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70314	0.3
53.87263	0.4
55.01746	0.4
55.24966	0.4
57.03322	0.4
58.34415	0.3
58.58270	0.4
59.01250	3.1
61.98706	1.1
66.84261	0.4
69.95586	1.8
71.01260	5.2
72.99191	0.9
73.02831	1.7
74.06617	0.3
83.01258	0.6
85.02823	2.9
85.06468	0.6
87.00763	1.9
89.02334	0.8
89.03854	1.4
93.03333	0.6
95.01264	0.7
99.00775	1.1
101.02335	1.9
106.06546	0.4
109.02840	0.5
113.02328	3.7
117.03348	5.7
119.04900	1.0
121.02886	0.8
125.02307	0.6
127.86722	0.3
132.02080	1.8
134.03636	86.2
135.03940	3.4
135.04724	0.3
137.02328	1.5
139.03906	0.4
143.03355	0.5
145.02837	0.8
147.04475	0.6
149.02316	0.4
149.05995	7.2
150.03108	0.6
159.02913	0.4
160.01556	7.8
161.01982	0.4
161.04446	1.6
163.03935	0.8
163.07576	0.4
165.05510	0.9
173.04497	0.9
175.03934	11.0
176.04343	0.7
178.02623	3.7
179.03305	0.3
191.05533	0.6
193.04999	100.0
194.05353	4.5
199.91525	0.5
241.70525	0.4
255.11401	0.9
262.77512	0.4
300.02765	0.4
347.13388	0.8
419.15369	1.4
437.16623	1.4
572.20294	0.4
595.21210	0.5
613.21338	3.0
613.32483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
55.53503	0.3
57.03308	0.6
58.00459	0.6
59.01252	31.3
60.01580	0.3
68.99679	1.2
69.03323	0.5
70.68076	0.7
71.01254	13.2
72.99188	1.0
73.02821	14.4
73.15473	0.3
74.03143	0.3
75.00743	0.5
79.05393	0.9
81.03317	0.4
83.01257	4.1
85.02822	3.1
87.00749	2.6
89.02322	4.8
93.03326	0.4
95.01257	1.0
97.02808	0.6
99.00743	1.0
99.04386	0.3
101.02323	11.6
102.02632	0.4
103.62116	0.3
105.07018	0.6
107.04895	2.8
109.02850	1.2
111.00751	0.5
113.02332	4.7
119.03400	1.8
119.04938	0.3
121.02837	0.9
123.00776	0.2
123.04405	0.3
125.02316	0.9
129.01817	0.4
129.06996	0.4
131.03398	0.9
131.08574	0.4
133.02849	0.6
135.04419	1.7
138.03227	0.3
143.03415	1.1
143.04916	1.8
144.05692	0.5
145.02942	0.2
147.04414	1.1
149.02347	0.4
149.04436	0.7
149.05981	0.8
151.48877	0.3
157.06499	5.3
158.06813	0.4
159.04404	0.9
159.07997	1.6
160.05257	0.4
161.02370	4.5
161.04445	2.6
171.10248	0.5
173.04498	0.3
173.05945	0.5
174.03084	0.3
175.00357	0.4
175.03963	0.3
175.07565	4.5
176.04713	0.8
176.07910	0.2
177.01840	0.6
179.05516	0.7
185.05995	2.1
187.03885	1.7
187.07512	0.4
188.01097	0.5
188.04675	0.9
190.02716	0.4
190.06175	0.4
192.04207	0.9
201.05524	4.4
203.07074	100.0
204.07419	7.1
207.06599	0.5
211.13409	0.3
219.06557	0.4
229.08755	0.5
263.10651	0.3
265.08716	0.5
271.09781	2.3
272.10013	0.3
291.10309	0.7
293.08340	0.4
305.08191	0.7
307.09732	1.2
308.10342	0.6
313.02985	0.3
319.09711	0.9
320.10330	0.4
323.12796	0.3
335.09265	6.0
335.12772	0.4
336.09512	0.7
345.07724	0.7
347.09540	0.4
348.09641	0.3
349.10956	0.3
350.11581	1.8
360.09991	0.4
363.08618	5.4
363.12479	1.1
364.09174	0.8
365.13925	1.6
375.12332	0.7
377.10086	0.6
378.10965	4.2
379.11612	0.6
393.13400	20.9
394.13702	3.0
395.14883	0.3
411.14426	4.4
412.14835	0.4
555.18958	1.1
562.24133	0.3
573.19836	6.0
574.19867	1.3
615.21417	1.7
616.21014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03320	2.6
59.01252	47.2
60.01583	0.5
61.98703	0.5
69.03321	0.6
69.29319	2.2
69.29749	1.9
71.01257	8.0
71.04884	0.6
72.99180	0.6
73.02816	2.6
75.00733	1.0
82.57482	0.5
83.01260	0.7
83.04919	0.6
85.02824	3.8
87.00761	6.4
89.02335	3.0
93.03315	0.6
95.01270	0.9
99.00777	1.0
99.04401	1.2
101.02319	4.1
107.04903	1.0
109.02833	0.6
109.06485	0.8
113.02309	3.4
117.03371	0.9
119.03433	0.7
119.04935	2.3
119.08575	1.4
121.02792	0.6
121.06503	0.9
123.08052	3.9
133.10095	1.5
134.03630	2.0
135.04443	0.6
135.08035	3.2
135.11719	1.4
137.02371	4.3
137.09621	9.6
138.09959	0.9
145.02812	1.0
147.04364	0.7
148.05196	0.6
149.05977	0.8
153.09129	1.8
160.01581	0.5
161.02333	0.8
161.04462	1.4
161.09642	3.5
163.03928	4.7
163.07564	9.7
163.11203	4.2
175.03937	1.2
179.10703	4.8
180.10962	0.6
181.08629	7.9
182.09073	0.5
185.11804	0.8
189.12796	6.5
191.03426	0.5
193.04974	1.5
197.11861	1.4
205.08694	0.8
207.13860	5.2
208.14111	0.5
211.13481	0.7
223.09756	5.1
241.10774	0.8
267.06979	0.6
273.03754	0.5
327.86194	0.5
434.17493	0.7
435.18393	2.1
479.09766	1.3
490.94739	0.6
593.21838	1.3
593.29742	1.9
611.30756	100.0
612.31104	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	611.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03299	0.4
59.01251	5.9
61.98678	0.2
71.01251	3.0
71.54741	0.2
72.99181	0.6
73.02825	1.2
75.00755	0.8
83.01283	0.3
85.02824	2.0
87.00751	3.8
89.02319	0.7
89.03850	1.3
92.30483	0.2
93.03357	0.6
93.99461	0.2
95.01260	0.5
96.50697	0.2
96.51411	0.2
99.00754	1.1
101.02329	1.6
106.04137	0.4
107.04889	0.3
108.02056	0.4
109.02832	0.4
113.02348	2.4
114.02652	0.2
117.03344	4.9
119.04904	1.0
119.58553	0.2
121.02842	0.6
123.00930	0.2
123.04416	0.4
125.02326	0.6
129.01848	0.3
130.99774	0.3
132.02068	2.7
133.02887	0.3
134.03632	75.7
135.03932	3.4
137.02344	2.5
145.02901	0.4
147.04424	0.8
149.05988	7.1
151.03925	0.3
159.04399	0.3
160.01573	9.7
161.02042	0.7
161.04456	0.9
161.05708	0.2
163.03932	1.4
164.04448	0.2
165.03983	0.4
165.05437	0.3
167.03452	0.2
172.05046	0.2
173.04613	0.2
173.05913	0.4
175.03928	12.7
176.04227	0.6
178.02646	1.1
178.06110	0.3
179.03407	0.4
185.11726	1.6
186.06874	0.3
189.05365	0.3
191.03345	0.4
193.04991	100.0
194.05325	5.6
201.05379	0.3
202.06239	0.2
211.13354	0.4
213.05550	0.2
215.07008	0.3
220.07260	0.2
227.03377	0.2
242.60292	0.2
249.06110	0.4
261.13367	1.8
262.13657	0.3
268.01410	0.2
313.03461	0.3
327.17175	0.2
344.08655	0.2
345.08859	0.3
359.27991	0.9
360.28336	1.0
361.28436	0.6
375.16553	0.8
393.17679	0.8
435.18726	2.5
436.19199	0.3
479.09985	1.0
500.80026	0.2
523.12134	0.3
524.25458	0.3
566.85437	0.2
575.20874	0.7
587.45740	0.2
593.22955	0.9
594.21924	0.4
610.35162	1.3
611.23206	4.8
611.35071	2.2
612.23511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91239	0.6
57.03316	0.5
59.01249	5.2
61.98707	3.7
65.03843	3.1
68.99707	1.0
71.01257	1.7
71.54616	0.8
75.00736	0.6
85.02825	1.0
87.00747	2.8
89.02319	0.8
91.01772	15.1
93.03335	3.3
99.00769	0.6
101.02354	0.5
107.04919	2.9
108.02082	1.1
108.03306	0.5
109.02842	13.2
113.02298	0.5
115.47370	0.6
117.03374	1.1
119.04919	48.5
120.05235	2.7
121.02848	30.8
122.03139	1.1
123.00812	0.5
123.04385	2.3
125.02382	0.7
132.02084	2.2
133.02856	2.4
134.03616	3.6
135.00780	33.0
135.04440	1.3
137.02328	2.8
142.04230	0.5
145.02859	1.6
147.04488	1.0
149.02364	1.7
149.06001	2.0
150.03069	1.0
151.03920	100.0
152.04280	4.2
153.01845	19.1
154.02235	1.0
160.01593	7.9
161.02275	1.4
162.03113	1.5
163.03952	2.4
165.05499	0.7
170.33580	0.6
174.03113	0.8
175.03935	11.3
179.03400	6.2
179.10667	0.5
181.08633	0.7
190.02634	1.2
191.03412	1.6
191.05144	0.5
193.04991	4.6
197.11752	0.9
205.04886	0.7
211.07628	0.5
213.05598	1.2
217.05101	0.7
219.03038	0.6
220.03708	0.8
245.04376	0.6
255.06612	81.7
256.06973	7.9
269.08133	0.6
273.07681	19.7
274.08069	1.7
285.07687	0.6
287.09247	5.6
296.06622	0.6
297.06693	0.7
315.08542	1.0
327.08707	0.5
337.09311	11.4
338.09753	1.1
343.08044	0.6
344.62964	0.5
345.09784	3.9
364.38168	0.5
375.10776	0.9
399.10477	0.8
449.14554	4.3
479.09509	0.8
489.14148	3.0
490.14319	0.6
593.15204	2.8
611.23749	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	611.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
61.98686	2.7
71.01249	2.5
72.99177	0.6
75.00741	2.3
76.39899	0.7
82.63924	0.6
85.02797	1.3
87.00735	2.3
93.03313	1.2
101.02354	1.1
107.88824	0.7
108.02042	1.5
109.02822	1.4
110.88518	0.6
113.02310	1.7
117.03310	2.5
119.04922	32.0
120.05286	1.4
121.02817	2.3
122.03588	1.5
123.04401	3.1
125.02355	0.7
130.99756	0.7
133.02855	35.8
134.03571	1.5
135.04405	2.9
137.02328	5.7
145.02859	9.5
147.04427	6.1
148.01572	5.0
149.02292	1.7
149.05946	1.9
150.03119	1.6
151.03941	2.7
156.88882	0.7
160.01515	1.2
161.02364	8.9
161.04462	0.8
162.03160	3.5
163.03923	61.0
164.04288	3.2
165.05428	1.3
173.02321	2.1
175.03911	1.1
177.01878	1.4
178.02637	2.0
181.04985	0.8
189.01845	16.0
190.02637	12.0
191.03427	40.2
192.03787	2.3
193.05006	3.9
196.05368	0.7
209.04523	1.6
220.03738	1.6
221.04520	3.6
229.68713	0.7
233.04471	1.3
241.75450	0.8
265.05096	1.7
266.05774	11.7
267.06247	1.5
281.08182	14.0
294.05383	6.7
295.05737	1.4
299.05524	0.9
309.07635	2.0
327.08731	100.0
328.09048	10.2
339.08636	0.9
345.09760	14.2
357.09650	1.8
369.09836	1.0
375.10886	9.2
376.11560	0.8
447.13004	16.1
448.13101	3.3
465.14029	9.2
466.14465	1.0
479.09711	2.0
611.19678	4.6
611.36261	2.5
612.21112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30357	0.4
59.01261	1.3
71.01254	1.0
73.35787	0.6
75.00746	3.9
79.36568	0.5
83.01284	0.5
87.00762	3.4
91.01759	0.6
93.03332	0.8
98.20558	1.5
101.02309	0.7
107.04902	0.5
108.02048	1.4
109.02849	2.3
113.02395	0.5
117.03352	0.8
119.04932	7.7
121.02837	0.7
122.03632	1.8
123.04401	1.1
130.99712	0.5
133.02855	26.1
134.03560	2.2
135.04416	0.8
137.02350	14.4
138.02635	0.6
147.04428	13.1
148.01567	7.8
148.04689	0.5
149.02347	1.0
149.06001	2.2
150.03166	1.5
151.03915	1.0
160.01553	2.4
161.02362	12.2
162.03090	0.9
163.03932	11.4
163.05222	1.0
165.05446	0.8
165.36513	0.4
173.02377	2.1
175.03894	1.9
177.01845	0.6
178.02652	2.5
179.03430	0.4
181.05002	0.7
187.03964	0.5
189.01857	11.9
189.05554	0.6
190.02646	15.0
191.03429	63.8
192.03783	4.2
193.05000	4.6
203.03444	1.1
209.04446	1.1
220.03749	1.5
221.04431	2.0
229.78848	0.8
233.04388	0.5
237.05479	0.5
249.05530	0.9
251.07187	4.3
265.05060	2.4
266.05829	18.7
267.06198	1.8
279.06586	1.2
281.08188	25.7
282.08569	2.7
283.09863	0.6
294.05334	12.2
295.05740	1.1
297.07684	11.4
298.08084	1.0
309.07712	2.3
315.08691	0.6
327.08731	100.0
328.09091	10.9
345.09851	5.4
357.09982	0.9
369.10019	0.7
375.10846	4.0
376.10950	0.7
417.11951	2.5
447.12955	22.4
448.13354	3.0
465.14014	4.1
479.09836	6.6
480.10141	0.9
505.11554	0.6
523.12518	0.8
611.36426	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	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16747	0.8
59.01242	1.4
81.03335	1.7
87.00748	1.9
93.03327	3.1
95.01270	1.2
95.04868	1.2
104.33560	0.9
105.03334	2.6
107.01273	2.5
108.02036	2.1
109.02843	4.7
111.00803	1.1
111.04414	1.1
119.04898	5.3
121.02846	7.6
123.04420	6.7
125.02324	6.4
131.01292	3.5
132.02095	1.5
134.03598	2.3
135.04457	1.5
137.02359	2.5
139.03877	5.6
145.02824	1.6
147.04366	2.7
148.01521	2.7
149.02351	100.0
150.02679	4.3
151.00311	1.1
151.03906	3.7
152.01030	4.2
160.01553	2.7
161.02333	5.6
162.03207	1.1
163.03925	6.0
165.01901	1.7
167.03394	3.8
173.02347	1.9
173.04581	1.3
175.00288	16.4
175.03915	3.4
176.01070	10.5
177.01855	23.9
179.03400	1.6
189.01866	2.1
190.02634	1.7
191.03438	9.5
191.05023	1.4
193.01326	2.0
193.04926	2.8
197.04510	1.8
202.99837	10.9
204.00410	1.3
205.01366	5.2
209.06079	1.1
217.01410	1.6
218.02057	1.4
219.02876	3.2
229.65935	1.4
230.68933	0.9
236.04742	1.0
237.05528	1.1
265.05081	5.8
271.02399	1.1
281.04590	2.2
283.06186	2.7
299.02216	2.2
299.05591	19.1
300.02762	0.9
300.05872	2.0
309.04065	21.3
310.04361	3.1
316.02194	1.1
317.06549	1.5
327.05081	71.7
328.05444	8.2
341.06583	4.2
345.06204	9.5
351.05298	1.2
357.06216	1.9
369.05997	12.2
375.07224	3.9
419.10394	1.1
429.08731	3.9
447.09491	5.0
464.53232	1.3
465.10254	2.5
497.72610	1.0
611.14154	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	611.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.7
59.01273	1.9
65.00193	3.2
67.01781	0.7
67.25077	0.5
68.99712	0.7
71.01285	1.5
71.39504	0.8
73.02847	0.6
75.00779	0.9
79.05438	0.8
80.99692	0.7
83.01294	1.5
87.00756	3.0
89.02356	0.7
90.24790	0.6
93.03333	2.7
95.01270	2.7
99.00735	2.4
101.19514	0.5
101.36782	0.6
107.01295	2.9
107.04948	0.8
108.02091	1.4
109.02860	4.1
109.99979	10.2
110.00668	0.6
111.00787	6.6
117.03389	0.8
119.04949	1.8
121.02839	3.4
123.00804	3.7
123.04411	17.3
124.01591	3.2
124.04856	0.8
124.98713	0.9
125.02369	2.2
125.99434	0.8
130.04140	0.5
132.01973	0.5
133.02841	2.6
134.03696	1.4
135.00793	1.4
135.04416	1.1
136.01617	0.8
136.98769	1.4
137.02383	2.0
137.99507	4.5
139.00290	10.1
139.03952	0.7
141.98988	0.8
143.04982	0.7
145.02853	5.3
146.03696	2.6
147.04460	1.6
148.01624	1.4
149.02365	2.8
149.06010	0.9
149.99477	0.7
150.03038	0.6
151.00293	12.4
151.03920	16.8
152.01077	4.9
152.04353	0.8
153.01891	0.9
153.98924	0.5
155.04950	0.8
158.03674	3.8
159.04425	2.5
160.01688	0.5
161.02361	4.2
162.03134	1.5
163.00340	2.3
163.03979	2.4
164.01068	3.2
164.04716	0.9
164.98306	0.7
165.01883	1.4
165.98994	13.3
166.00354	0.7
166.99756	4.5
169.01378	1.5
171.04434	1.4
173.02394	3.5
173.05989	3.6
174.03154	13.4
175.00333	0.8
175.03938	5.9
176.01117	1.0
176.04765	1.1
177.01888	0.9
178.99788	13.7
179.03343	0.7
179.07060	0.6
180.00427	0.8
181.05104	0.8
183.04468	1.0
183.07991	2.9
185.02376	0.9
186.03104	0.9
187.03983	4.7
188.04524	1.0
189.01930	1.6
190.02522	0.9
190.99817	0.6
191.03506	1.4
193.01472	0.8
193.05127	0.7
193.98518	1.1
194.05807	1.0
194.99321	1.9
198.03206	1.9
199.03973	4.3
200.04440	1.0
201.01860	3.3
201.05565	0.7
202.02618	5.1
203.03421	5.9
206.99359	0.8
208.00023	1.1
209.00641	0.5
209.08122	1.1
211.03967	0.6
213.01904	0.9
213.05600	1.0
214.02657	3.1
215.03471	3.9
216.04266	2.2
217.01411	0.7
217.04927	0.9
218.02159	0.9
219.02913	1.4
225.01923	0.9
225.05600	1.2
226.02696	1.4
227.03516	6.5
227.07101	5.2
229.01472	1.3
230.02197	1.1
231.03001	4.2
232.03604	1.1
234.01649	9.7
235.06099	6.8
237.05521	0.8
239.07120	1.3
242.02142	5.3
243.02957	9.8
244.03658	2.4
245.00832	0.6
245.04593	0.6
246.05446	0.5
251.07233	0.7
254.02177	0.8
255.02991	7.8
255.06636	13.5
256.03433	1.0
256.06885	1.1
259.02512	4.4
260.03177	2.3
267.06665	2.0
270.01678	8.3
271.02469	47.9
272.03021	7.4
273.04169	2.5
280.07401	6.1
284.03336	1.1
285.04413	1.0
285.07721	3.9
287.01978	20.1
288.02664	11.8
289.03238	2.1
295.09821	1.1
297.04083	0.5
298.01181	2.1
299.01962	39.7
300.02429	4.8
301.03275	0.9
315.01547	3.4
316.02228	100.0
317.02844	28.3
318.03256	1.9
324.06381	2.0
339.08725	69.9
340.09048	6.5
375.10724	3.4
376.11264	1.1
433.47641	0.6
475.16074	1.7
479.08582	1.1
567.12891	0.8
593.11401	0.8
611.12378	63.2
612.12769	13.0
612.21857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21297	0.9
58.75194	0.9
65.00169	1.2
65.32761	1.0
67.17239	1.0
69.75893	1.6
69.76302	4.1
81.03375	1.0
87.00753	0.9
93.03362	3.3
95.01306	1.0
103.01759	1.1
105.03379	2.5
108.02063	1.7
109.02856	3.5
112.49490	0.8
117.03369	1.1
119.04906	6.4
121.02839	8.5
123.04411	7.5
125.02325	5.6
131.01285	4.5
134.03638	1.1
135.04453	1.0
137.02345	2.7
139.03918	4.9
147.04420	1.8
148.01625	3.1
149.02357	100.0
150.02701	3.7
151.03951	2.8
152.01125	1.9
153.01892	1.2
156.39024	1.0
160.01561	3.2
161.02368	6.7
162.03207	1.1
163.03925	5.4
164.04633	1.1
165.01846	3.2
167.03380	4.1
175.00296	18.9
175.03926	3.4
176.01082	10.6
177.01868	29.2
179.03387	1.4
187.03799	1.3
189.01801	2.4
191.03436	11.0
191.05023	1.4
193.01361	1.5
193.04933	1.7
201.01854	1.7
202.99809	10.3
204.00385	1.7
205.01372	5.2
217.01393	2.2
217.05081	1.1
218.02115	2.4
219.02945	1.6
237.05681	2.0
245.00682	1.4
247.02481	2.5
257.57751	1.0
265.05151	5.5
281.04572	1.9
283.06226	2.7
285.04099	1.0
299.02231	1.7
299.05621	23.8
300.05957	2.5
309.04053	27.8
310.04291	1.9
327.05112	96.8
328.05432	8.9
341.06503	3.0
345.06094	10.4
351.05170	2.8
357.06155	2.1
369.06171	16.4
370.06448	1.7
375.07242	4.5
429.08411	4.6
441.70926	1.1
447.09491	4.5
463.72421	1.2
465.10498	3.8
491.09909	2.2
611.13733	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	611.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
65.00192	2.5
67.01782	0.8
68.99733	0.5
71.01258	1.3
71.53657	0.7
71.54020	0.5
72.99178	0.8
73.02855	0.7
83.01281	1.4
85.02843	0.5
87.00766	2.1
90.42222	0.5
93.03352	0.9
95.01287	2.2
99.00770	2.1
107.01305	1.8
108.02102	1.3
109.02831	3.6
109.99991	9.5
111.00800	5.0
117.03381	0.4
121.02858	1.4
123.00772	4.7
123.04391	5.1
124.01572	2.3
124.98740	0.8
125.02373	2.0
125.99471	0.7
133.02913	1.0
135.00832	0.6
135.04408	0.5
136.01628	0.8
136.98721	2.0
137.02390	1.8
137.99490	3.9
139.00272	11.7
139.01353	0.6
139.03862	0.7
145.02908	2.3
145.77740	0.5
146.03635	1.4
147.04401	1.1
148.01605	2.0
149.02373	1.6
150.03165	0.4
151.00291	9.0
151.03932	6.4
152.01050	4.0
154.03903	0.5
158.03690	0.9
159.04448	1.7
161.02353	2.4
162.03284	0.4
163.00316	2.3
163.03943	1.1
164.01033	2.9
164.98300	0.7
165.01828	0.9
165.98999	12.1
166.99768	4.1
169.01303	0.6
171.04475	2.2
172.05209	0.6
173.02400	1.6
173.05972	1.2
174.03143	5.2
175.00342	0.7
175.03986	3.4
176.01028	0.8
176.04561	0.4
177.01793	0.8
178.99785	11.4
180.00380	0.7
183.04480	1.2
183.08073	1.0
185.02373	1.0
186.03249	0.9
187.03935	3.8
188.04572	0.7
189.01909	1.9
190.02617	0.8
190.99789	0.6
191.03427	0.9
193.98453	1.4
194.05804	0.7
194.99268	1.6
197.02409	0.8
198.03174	1.7
199.03979	3.6
200.04527	0.6
201.01872	2.9
202.02658	2.3
203.03459	3.7
204.04028	0.6
205.01349	0.8
206.99356	1.4
208.00092	0.5
209.08134	1.3
209.64427	0.4
211.03928	0.8
213.01863	1.4
213.05582	0.5
214.02686	3.5
215.03444	4.5
216.04274	2.0
217.01340	1.1
217.05005	0.8
219.02974	0.7
226.02802	1.2
227.03468	4.8
227.07068	1.2
228.04004	0.8
229.01335	1.6
229.04996	0.6
230.02136	1.5
231.02925	3.7
232.03561	1.5
234.01669	3.3
235.06049	2.7
242.02177	5.6
243.02974	9.7
244.03558	2.1
245.01041	0.6
245.04529	1.3
254.02289	0.6
255.02969	6.4
255.06616	5.1
257.00772	0.9
258.01794	0.5
259.02484	4.4
260.03235	2.3
267.06781	0.9
269.01154	0.5
270.01712	7.7
270.04562	0.6
271.02484	46.3
272.03033	6.0
273.04013	2.5
280.07407	1.8
285.07654	1.3
287.01968	19.3
288.02673	10.7
289.03284	1.1
298.01221	2.1
299.01974	51.0
300.02429	5.0
301.03531	0.9
315.01563	4.2
316.02228	100.0
317.02911	30.4
318.03345	1.6
319.14426	0.6
327.05075	0.9
339.08734	33.0
340.09235	3.2
375.10846	1.9
461.06696	0.8
475.16110	1.7
479.08563	0.8
484.40250	0.5
523.14758	1.0
567.13593	1.7
593.11078	2.3
611.12457	97.1
612.12909	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	611.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01918	2.6
57.04782	2.5
58.70810	2.6
59.01236	5.5
60.99604	2.4
61.98700	5.0
65.00197	10.4
71.01244	4.7
71.52761	2.7
71.53104	3.2
73.23605	2.2
81.32417	2.9
83.01254	7.0
85.02817	4.1
87.00738	6.3
90.81700	2.5
93.03306	8.5
95.01270	6.4
99.00738	7.8
107.01261	9.5
108.02048	45.7
109.02815	9.0
109.99990	3.6
111.00759	12.9
113.02295	2.6
117.03326	10.0
119.04873	3.3
121.02811	5.9
123.00778	8.9
123.04420	11.7
124.01527	2.9
125.02334	6.7
131.01306	2.6
132.02057	3.9
133.02864	7.0
135.00783	4.8
137.02327	4.9
139.00264	13.5
143.04892	7.8
145.02834	7.4
147.04362	4.5
149.02344	21.6
149.99481	5.4
151.00290	24.1
151.03972	3.8
152.01071	71.4
153.01675	5.6
155.04962	6.2
159.04359	9.1
161.02281	5.4
163.00284	5.9
163.03896	8.2
164.01057	4.3
165.01852	3.5
165.05511	2.5
165.98962	6.6
166.99765	4.6
167.03299	3.8
171.04390	10.2
173.04521	2.8
174.03165	3.1
175.00279	5.9
177.01791	7.9
177.98964	6.4
178.99858	17.4
179.03484	3.1
181.05048	15.3
183.04364	4.9
187.03922	9.2
189.05444	2.8
191.03392	2.6
191.05368	3.1
194.99263	3.3
199.03912	10.4
203.03455	4.4
213.01868	4.1
214.02657	3.5
215.03387	8.9
216.04179	5.8
217.04962	7.5
226.02550	3.0
227.03429	11.3
227.55296	3.0
229.04953	3.2
231.02930	4.5
242.02220	7.4
243.02861	7.3
245.04495	3.8
255.02942	18.7
256.03232	5.1
259.02527	7.7
270.01654	7.6
271.02481	73.2
272.03058	14.9
273.04080	8.6
283.02429	4.3
284.03192	6.2
285.04022	5.8
287.02002	20.1
288.02472	4.0
298.01260	3.9
298.98706	5.3
299.01981	100.0
299.05368	5.7
300.02484	12.4
301.03561	5.8
309.04147	4.6
315.01163	2.9
316.02228	61.4
317.02896	26.0
317.06647	12.0
318.03497	2.8
327.05084	15.0
328.05215	3.0
343.08145	5.6
369.05945	3.3
429.10275	26.0
447.09073	3.1
499.10989	9.2
511.14197	2.8
567.12878	5.5
583.11902	2.9
593.12067	5.8
611.12964	89.3
612.12903	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	611.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45369	0.1
59.01257	1.1
60.99174	0.2
61.98707	1.4
65.03837	0.6
67.01763	0.5
71.01262	1.0
71.54353	0.2
72.99187	0.3
73.02859	0.2
75.00742	0.3
79.63853	0.1
81.03316	0.2
85.02859	0.3
87.00757	21.3
88.00249	0.1
88.01081	0.2
88.98679	1.2
89.02328	0.6
93.03339	0.5
95.01260	0.2
97.02849	0.2
99.00780	0.3
101.02336	0.5
107.04959	0.2
108.02056	0.2
109.02843	15.8
110.03188	0.5
111.00743	0.2
113.02367	0.2
119.04925	0.4
121.02816	0.3
123.00780	1.2
123.04429	0.3
124.01550	0.5
124.38456	0.2
125.02356	0.3
130.99750	0.7
133.02864	0.3
134.03694	0.7
135.04407	0.4
137.02351	100.0
138.02687	3.7
145.02896	0.4
146.03625	0.2
147.04410	0.3
149.02341	0.3
149.05980	0.4
151.00276	0.2
151.03986	0.1
153.01880	0.2
159.04434	0.2
161.02272	0.3
163.03920	1.1
164.01076	0.2
167.03377	0.2
173.04489	0.3
173.05856	0.2
175.03954	0.4
177.01884	0.4
179.03436	0.6
180.04054	0.2
181.04955	0.6
188.04588	0.2
190.02640	0.3
191.03413	0.4
191.05571	0.3
192.04260	0.2
193.05026	1.0
199.03963	0.2
203.03636	0.2
205.05081	0.2
241.01445	0.2
241.05125	0.2
242.02332	0.2
243.03111	0.2
251.07286	0.1
270.01550	0.2
271.02493	0.4
285.04065	0.5
290.05670	0.2
307.05746	0.2
311.01593	0.1
312.02924	0.2
313.03525	0.6
316.02209	0.4
327.08829	0.3
337.03656	0.2
338.89807	0.2
342.07352	0.6
343.08121	0.5
349.07071	0.2
359.05441	0.2
362.04099	0.2
377.06631	0.4
405.06165	0.4
421.05103	0.2
431.07779	0.3
433.05844	0.2
443.11398	0.4
447.07187	0.2
448.07947	0.2
449.04953	0.5
451.10266	0.5
461.08795	0.2
464.07391	0.2
475.06882	0.5
479.09848	50.7
480.10178	8.7
505.11472	2.8
506.11243	0.7
523.12445	3.3
524.12720	0.7
534.10596	0.2
549.10681	0.2
611.13574	0.5
611.26904	0.6
611.36243	0.7
633.85791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08846	1.7
57.33879	1.1
59.01245	6.3
59.57061	1.2
69.03327	1.2
71.01257	2.2
71.53463	1.5
71.53910	1.5
80.96371	1.6
87.00743	3.4
95.04905	2.1
97.06454	1.9
99.11566	1.2
121.10122	26.4
125.09594	1.6
127.11170	1.6
147.04428	1.4
171.10181	76.8
172.10588	2.8
173.07843	1.4
185.11743	2.8
191.06999	1.6
197.11794	2.9
207.09940	3.2
231.21089	6.2
275.17041	2.8
275.20142	87.7
276.20639	7.9
278.11340	11.5
293.21225	100.0
294.21490	9.9
297.18246	2.3
300.02045	1.5
315.19388	50.0
316.19626	6.0
329.17416	2.8
359.18451	12.9
450.12479	1.6
609.41364	84.1
610.41724	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	609.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
63.69775	0.6
67.46887	0.5
70.76683	1.7
78.92722	0.7
78.95777	0.7
87.00784	0.7
93.03285	0.6
95.04900	30.3
95.05515	1.5
95.22077	0.6
96.05226	1.8
97.02766	0.6
113.09603	0.6
129.25485	0.6
130.44014	0.9
150.02942	0.9
179.14325	1.4
189.05371	0.9
195.13817	8.1
196.14368	1.0
200.49844	0.7
205.12221	1.1
211.13309	1.6
223.13356	9.9
231.21216	0.6
246.09869	0.7
246.12372	12.4
256.13159	1.1
275.20181	4.5
278.11349	65.7
279.11823	3.6
293.21231	100.0
294.21555	10.3
315.19391	25.3
316.19711	2.6
329.23557	0.7
336.48703	0.8
384.04895	0.6
572.32092	2.5
609.26947	1.1
609.31012	0.7
609.41449	11.5
610.41608	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	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.7
58.19724	0.3
59.01251	12.4
61.98706	1.2
68.99700	1.2
69.03339	1.2
69.52766	2.5
71.01256	11.4
72.99184	4.6
73.02837	1.7
75.00750	13.1
81.03326	0.7
81.21411	0.5
83.01259	0.8
85.02824	12.5
87.00755	6.8
89.02307	2.5
93.03357	1.7
95.01269	3.5
97.02831	1.1
97.06494	0.6
99.00758	6.5
101.02336	0.9
103.00260	0.9
109.02843	0.8
109.65231	0.5
111.00757	0.9
111.04412	0.7
113.02329	13.1
113.03065	0.8
115.00288	1.3
116.65785	0.4
117.01842	1.8
117.03324	0.6
119.04928	4.1
121.02872	1.7
123.00826	0.5
123.04445	0.9
125.02343	0.9
129.01830	1.2
131.03409	0.5
133.02800	0.5
134.03667	1.4
135.02887	1.1
135.04482	0.7
137.02388	2.3
139.03929	0.5
145.02913	0.8
145.40295	0.4
147.04416	3.9
148.05182	0.7
149.02347	1.2
149.06020	2.6
151.00275	1.3
160.01544	0.8
161.02348	0.7
163.00273	0.6
163.03935	1.2
165.01796	0.6
165.04028	0.5
167.03505	0.5
175.00264	0.4
175.02406	1.4
175.03978	1.6
177.01743	0.4
185.06120	0.5
189.01942	1.0
191.03436	2.3
192.04124	0.7
193.01332	2.7
193.04967	2.4
201.05594	0.5
211.13329	0.6
219.02953	1.0
221.19212	0.5
227.07106	0.5
227.16515	1.1
231.04993	0.7
237.97783	0.4
249.03946	0.8
249.06157	9.6
250.06512	0.7
267.07227	0.5
271.05923	0.6
272.06631	0.4
284.03329	0.6
301.20337	0.8
311.25848	1.1
313.03540	1.2
313.07141	7.4
313.23886	7.4
314.07620	1.0
314.24295	0.7
341.26990	1.8
342.07285	1.0
343.08182	7.0
344.08685	1.0
359.28040	59.3
360.28406	7.5
393.78131	0.4
396.10004	0.5
447.16299	0.5
489.11331	0.6
505.33823	1.0
533.44672	0.5
591.11816	0.5
591.34009	1.7
609.34912	100.0
610.35217	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57159	0.3
57.03322	0.8
59.01255	17.0
61.98714	3.5
63.96112	0.8
64.26271	0.3
67.01788	0.3
69.03316	1.1
70.68271	0.3
71.01254	8.6
71.54342	0.6
72.99174	0.6
73.02828	1.8
75.00741	1.7
78.95766	0.7
78.98464	6.3
79.95608	10.3
80.96394	63.1
81.03334	0.6
81.96323	0.4
83.01254	0.9
85.02827	3.8
87.00757	6.9
88.01035	0.4
89.02319	0.9
93.03339	0.9
94.97965	14.2
95.01285	0.4
96.95879	1.2
97.02853	1.7
99.00727	0.8
99.04428	0.5
101.02335	4.0
106.97997	3.2
113.02341	2.4
119.04920	0.5
120.72564	0.3
121.02852	4.9
122.97517	2.8
123.04383	0.4
124.29732	0.3
125.02345	3.5
127.03917	0.9
130.99753	0.4
134.03595	1.1
134.97490	4.7
135.04420	0.7
136.99023	1.6
137.02353	2.5
139.03900	0.6
140.97073	0.4
145.02834	0.6
146.97449	0.7
147.04434	2.1
148.05075	0.3
148.99060	5.1
149.06004	2.5
152.98520	5.8
152.99661	0.4
159.04457	0.7
160.01608	0.7
161.02318	0.6
161.04443	0.6
163.03899	1.6
164.98544	11.4
165.98857	0.4
167.00082	0.4
173.05998	0.6
174.03174	0.4
175.03883	1.2
187.04002	0.4
187.07581	0.4
188.04691	0.7
191.03387	1.0
192.04211	0.4
193.04961	2.6
194.05415	0.3
197.11766	1.2
201.09183	0.6
202.06339	0.4
204.04022	0.3
206.99644	2.5
209.11696	0.5
211.13387	1.0
215.07051	0.9
217.08394	0.4
219.02872	0.9
225.00696	14.0
226.00966	0.6
231.10201	0.4
237.04118	0.4
271.02518	0.4
271.05988	0.4
275.09180	0.5
299.04407	2.8
301.06897	0.4
313.20660	0.3
345.30194	0.5
359.27979	0.7
393.64731	0.4
489.34421	4.9
490.34604	0.7
507.35492	0.9
549.36353	0.7
559.21930	0.9
591.24377	0.6
609.25873	100.0
610.26239	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	609.2685
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03324	0.9
58.61544	0.7
59.01252	5.0
61.98696	4.4
61.98961	0.7
69.03323	1.1
69.60464	0.7
70.54933	2.1
71.01244	1.8
78.95776	57.4
80.96386	1.8
85.02801	0.9
87.00748	5.7
88.20564	0.8
91.16780	0.7
93.03333	0.8
95.04939	0.9
96.96842	11.2
97.06480	0.9
113.02375	1.2
121.02851	12.6
126.10705	0.7
130.99767	0.9
134.03696	0.8
135.04469	1.3
137.02336	1.8
147.04405	2.8
149.05989	2.6
150.97925	1.5
151.03839	0.7
152.99498	69.8
153.12465	0.7
153.99773	0.8
160.01610	0.8
171.00586	2.2
171.10284	0.8
175.03998	1.9
187.07523	0.9
191.03394	1.0
193.05031	1.3
195.13828	7.7
196.14462	0.9
201.05533	0.8
209.11758	0.8
211.13364	1.7
223.00183	6.1
223.13382	7.0
237.03990	1.4
241.01151	23.4
259.02243	2.1
275.20007	3.7
293.21222	37.1
294.21585	3.7
315.04868	10.5
333.05820	1.8
342.07242	1.2
401.95135	0.8
591.24438	1.2
594.76410	0.9
609.26758	100.0
610.27191	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	609.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90556	2.4
59.01249	8.9
61.98705	34.4
71.01249	3.8
71.40643	3.7
74.21037	2.0
79.85535	2.3
87.00774	2.5
90.73354	2.4
107.78808	2.3
108.02113	3.8
109.02815	5.9
119.04913	2.8
121.02847	17.3
122.03648	11.9
123.04391	3.2
124.01531	5.3
125.02329	3.4
134.03624	3.2
135.04401	4.1
137.02339	6.2
139.00194	2.5
147.04427	6.6
148.04759	2.3
149.05960	2.0
151.93735	2.2
152.01089	6.5
161.04414	2.5
163.03896	2.5
165.05502	26.4
175.00349	2.9
175.03944	3.4
179.07054	8.5
193.05119	2.3
215.03264	2.6
223.72835	2.4
243.03021	3.1
255.03001	5.8
271.02454	4.8
285.04019	7.9
287.02161	2.6
300.02795	6.7
300.06284	3.5
301.03619	4.3
315.05334	2.5
315.08810	37.6
315.12314	4.6
316.09113	3.5
325.03534	3.9
328.57083	2.5
345.08069	2.6
346.14142	7.6
361.16592	100.0
362.17136	10.9
375.14584	3.1
447.11334	6.3
473.10944	2.3
609.14539	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	609.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.7
57.03320	6.5
58.00430	1.5
59.01255	23.0
59.05172	1.1
61.98677	1.1
68.99686	1.4
69.03325	7.4
71.01256	22.8
72.99178	8.2
73.02811	3.8
75.00751	18.1
79.95593	1.5
80.96405	1.3
83.01270	1.8
85.02824	25.8
85.06519	1.3
87.00751	24.2
89.02309	4.7
89.03858	2.2
91.33720	1.0
93.03341	2.7
95.01270	6.8
99.00761	13.7
101.02308	3.0
103.00246	2.0
109.02806	1.3
111.00773	2.1
111.04408	1.1
111.07974	1.5
113.02336	28.6
113.05975	1.6
115.00218	2.6
117.01773	3.0
117.03370	5.2
119.04902	4.6
121.02814	2.5
123.04379	1.9
125.02345	1.1
129.01822	2.4
130.78633	1.2
132.02046	2.4
133.02838	3.1
134.03638	51.2
135.04364	2.4
137.02365	6.4
138.01855	1.3
139.03925	1.7
139.11197	14.3
145.02921	2.5
147.04456	6.5
148.05168	1.4
149.05988	6.5
151.03877	1.3
160.01572	12.5
161.02402	5.3
163.03896	5.0
164.04724	1.3
165.03978	2.2
167.03345	2.1
173.04439	1.3
175.02408	3.7
175.03885	17.1
176.04314	1.0
177.01808	1.3
179.03412	2.3
183.10191	18.2
189.01804	3.9
191.03435	1.6
192.04227	1.4
193.03476	2.6
193.05000	31.6
194.05324	1.8
197.11885	1.6
211.13390	2.1
219.02937	2.1
231.04851	1.2
249.06123	11.1
267.07092	13.0
285.00592	1.9
295.05942	5.7
299.02039	1.4
313.03479	1.4
315.08548	2.0
343.08450	1.7
366.09500	1.3
381.12045	1.5
405.05908	3.4
415.15909	1.6
425.10950	3.2
433.17151	83.1
434.17212	7.7
443.12048	8.2
565.71143	1.4
591.20508	4.3
609.21802	100.0
610.22119	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
59.01254	13.1
61.98702	3.7
71.01257	9.8
72.99194	1.6
73.02822	1.4
75.00758	4.5
83.01315	1.2
85.02828	7.1
86.18227	1.2
87.00755	6.1
89.02306	2.1
90.33390	1.1
93.03333	4.9
95.01270	3.3
99.00740	3.6
101.02321	3.8
108.02067	6.6
108.20621	1.1
109.02860	1.8
111.00787	1.6
112.03925	3.8
113.02336	7.8
117.03308	2.1
119.04924	12.0
121.02843	3.4
122.03634	19.0
123.04440	6.2
124.01549	2.5
124.03967	5.8
132.02086	2.1
133.02852	59.0
134.03690	14.1
135.04446	1.6
137.02390	5.8
140.07089	1.4
144.51524	1.4
145.02888	1.9
147.04399	3.9
148.01582	13.7
149.02373	2.9
149.06000	3.0
150.03082	3.5
151.03874	2.0
154.02617	1.7
160.01575	3.7
161.02335	3.5
163.03928	11.9
165.05499	2.9
166.04999	3.4
173.04637	1.4
175.03922	5.6
177.01930	1.8
178.02582	1.8
184.06119	7.6
188.01086	4.0
189.01852	1.6
193.04985	7.6
230.03328	1.3
241.78375	1.2
249.06087	4.6
265.04984	3.2
266.05835	7.0
267.06711	22.7
268.06927	2.1
281.08099	4.1
282.05341	18.2
283.05807	1.4
295.06143	13.6
296.06281	1.4
297.07684	100.0
298.08014	8.1
325.07184	93.2
325.10217	1.5
326.07449	10.7
343.08151	4.8
361.16666	3.2
373.09155	3.0
415.10278	4.2
417.12073	1.9
434.12973	14.1
443.11935	7.7
445.11444	24.5
446.11639	4.8
463.12573	4.4
478.11551	1.2
495.01926	1.4
505.20840	9.6
523.21741	4.0
609.19629	1.8
609.34784	4.3
610.17786	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33550	0.5
51.76497	0.6
59.01253	29.8
61.98707	1.5
63.96105	1.2
65.83562	0.5
69.03294	0.9
71.01256	8.6
73.02813	2.1
73.88285	0.6
75.00747	0.6
78.98469	5.2
79.54422	0.6
79.95606	9.6
80.96392	56.4
81.03339	0.6
83.01231	1.1
85.02840	3.0
85.68510	0.5
87.00749	4.8
89.02303	0.9
94.97961	14.3
95.01217	0.6
96.95878	1.2
97.02821	1.4
99.00771	0.9
101.02312	3.4
106.97968	2.8
108.02068	0.8
113.02323	1.7
119.04881	0.6
121.02831	1.8
122.97458	3.1
123.04390	1.0
125.02333	2.5
127.03886	1.1
127.28325	0.6
133.02849	0.7
134.03555	0.9
134.97499	4.5
136.99022	1.6
137.02318	2.1
145.02834	1.3
147.04422	1.9
148.99031	4.8
149.05997	2.0
152.98553	5.7
161.04488	1.2
163.03900	2.4
164.98549	10.3
174.16258	0.6
175.03915	1.5
179.03290	0.7
191.03477	0.9
193.05020	2.5
195.34082	0.5
197.11758	1.2
206.99625	2.3
211.13332	0.9
215.07062	0.8
219.02901	0.6
221.62218	0.5
225.00713	16.1
226.01085	0.9
299.04446	2.4
299.25958	0.6
345.30014	1.3
489.34341	10.3
507.35287	2.0
549.36566	0.9
551.32373	0.7
591.24683	1.1
609.25861	100.0
610.26141	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64277	0.3
52.89179	0.3
55.01750	0.6
56.33310	0.3
56.44307	0.3
59.01251	3.0
61.98696	0.5
71.01258	3.7
72.99193	0.9
73.02827	1.1
85.02824	2.1
87.00755	1.3
89.02325	0.7
89.03852	2.3
93.03345	0.6
95.01250	0.6
98.19756	0.7
99.00748	1.1
101.02319	1.8
106.04124	0.7
108.02061	0.4
109.02825	0.5
111.00756	0.4
113.02335	3.3
117.03355	8.9
118.03674	0.6
119.04927	3.0
121.02847	1.0
123.00774	4.7
123.04456	0.4
124.01566	7.2
132.02060	2.7
133.02824	0.6
134.03639	97.8
135.03964	4.3
137.02336	2.4
138.03157	2.1
139.00302	0.5
139.03923	5.8
143.03365	0.4
145.02843	1.5
147.04398	0.4
149.02382	0.5
149.05994	8.7
150.03168	0.8
151.00282	1.2
151.03912	0.3
152.01167	0.3
153.01761	0.8
153.03018	0.4
160.01579	8.8
161.02028	0.5
161.04485	1.0
163.03923	3.1
175.00261	0.5
175.03937	11.3
175.05464	0.6
176.04250	0.8
178.02641	5.9
179.03362	0.6
191.03491	0.5
193.05002	100.0
194.05338	6.2
199.03882	0.5
203.03394	0.3
227.03394	0.6
243.02966	1.4
255.02911	2.0
271.00241	0.3
271.02478	11.3
272.02896	1.8
299.01999	10.0
300.02753	13.3
301.03232	1.6
314.04309	1.5
315.01807	0.5
315.05112	5.1
316.05612	0.4
326.71167	0.4
356.57617	0.4
400.05396	0.4
415.12561	2.6
416.12805	0.4
433.13568	2.2
470.02917	0.3
609.14368	10.8
610.14673	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	609.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.4
61.98709	3.9
65.03870	1.1
67.01775	0.7
71.01255	3.1
71.41506	0.9
73.02856	1.0
75.00766	0.8
78.95788	2.5
80.96423	2.1
83.01305	0.8
84.15871	0.5
85.02853	1.3
86.87981	0.6
87.00752	6.7
89.02372	0.7
89.03854	0.8
91.05407	3.7
91.10538	0.6
93.03373	1.4
94.98000	0.7
95.01277	1.1
95.04947	0.7
95.10303	0.6
96.95915	0.7
96.96905	0.8
101.02350	2.4
108.02049	2.7
109.02839	17.9
110.03196	0.7
113.02349	1.2
117.03381	2.8
119.04932	1.6
120.01170	0.7
121.02855	8.7
123.04429	4.7
125.02299	0.8
130.99779	1.1
132.01039	0.7
132.02060	18.6
133.02892	8.9
134.03638	38.5
135.04425	31.8
136.04764	1.8
137.02391	2.2
141.14807	0.6
145.02847	6.0
145.03905	0.6
146.03558	0.5
147.04422	7.7
148.01569	0.7
149.05991	13.9
150.06340	1.1
151.03877	0.6
152.99507	2.4
159.04422	1.0
160.01570	88.4
161.02342	9.9
163.03920	1.6
164.98505	0.9
165.01849	0.6
173.06033	1.2
174.03134	1.3
175.03926	100.0
176.04274	5.4
177.01843	3.2
177.05470	1.0
178.02625	3.5
179.03448	1.1
186.06854	0.8
187.03967	0.9
188.04785	0.8
189.05434	1.3
192.04265	0.8
193.04996	46.3
194.05379	2.6
197.05969	1.6
202.02640	1.6
203.07022	0.6
211.07573	0.9
211.13318	1.3
214.06223	1.3
215.07076	0.7
217.04930	1.8
217.08469	0.7
229.08673	1.5
238.06285	1.1
241.01218	0.8
241.04996	1.4
253.08662	0.8
256.07370	2.3
271.09744	42.1
272.10104	4.3
295.09610	2.3
307.08038	2.0
315.04721	0.8
322.06863	4.7
323.07684	6.3
325.10614	1.5
337.09274	64.1
338.09583	6.2
397.13251	0.6
415.13968	9.5
570.00708	0.6
591.23956	0.9
609.18951	21.8
610.19165	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	4.2
59.90803	0.5
61.98682	1.3
64.19768	0.6
67.01744	0.8
69.39368	0.5
69.45132	1.3
69.45525	3.8
71.01232	2.5
72.99166	0.9
75.00740	0.9
75.28658	0.6
79.01749	0.7
82.74973	0.5
85.02793	1.0
87.00765	3.3
87.49683	0.6
89.02309	1.1
91.01751	1.5
93.02874	0.7
93.03342	7.0
95.01240	1.0
99.00768	0.8
101.02316	1.3
107.77683	0.6
108.02054	5.3
109.02808	2.1
111.00769	1.0
113.02291	2.1
117.03338	1.1
119.01265	1.2
119.04911	10.1
121.02781	1.5
122.03621	14.4
123.00733	0.7
123.04427	5.9
124.01514	1.7
125.02328	1.3
126.03888	0.7
130.29816	0.6
131.04904	0.8
132.02094	1.8
133.02853	57.2
134.03714	4.8
135.04376	1.8
136.01495	0.9
137.02344	5.9
145.02827	1.6
147.04346	1.4
148.00481	0.9
148.01564	10.5
149.02281	1.8
149.06013	3.1
150.03130	3.0
151.03883	1.1
152.01111	1.3
153.01772	1.7
153.05373	0.9
154.02571	1.7
160.01552	0.9
161.02327	2.1
163.00201	0.8
163.03931	11.4
164.03363	0.8
164.04630	0.6
165.05441	1.8
173.04503	1.1
173.05827	1.0
174.03067	0.7
175.03917	2.6
177.01767	1.2
178.02606	1.1
179.03400	0.9
187.03925	0.7
188.01047	1.6
189.01822	1.4
191.03522	0.7
191.05450	0.7
193.04930	3.6
203.03349	0.8
219.02829	0.7
234.04936	0.6
237.05615	0.8
247.02303	0.6
249.05673	1.0
251.07147	2.3
265.05023	1.3
266.05789	5.7
267.06625	26.9
268.06973	2.2
272.03116	0.7
281.08221	4.2
282.05334	16.7
283.05780	1.6
295.06155	19.7
295.09607	1.0
296.06506	2.6
297.07678	100.0
298.08063	8.7
300.02585	0.7
313.07120	1.0
315.08701	1.5
323.16705	0.6
325.07178	90.0
326.07520	8.9
327.08585	0.8
339.08856	1.0
343.08252	6.5
344.08307	0.9
345.09503	0.8
373.09213	2.2
415.10303	6.4
417.11932	1.5
433.11487	1.0
445.11417	29.1
446.11755	3.2
463.12543	6.3
521.10669	1.1
564.39392	0.6
609.14551	0.7
609.34839	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	609.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73320	0.7
57.03317	0.6
59.01251	4.7
61.98711	1.6
71.01249	2.9
72.99187	0.8
75.00739	0.9
77.65131	0.6
83.01263	0.8
85.02802	1.2
87.00748	2.9
89.02303	0.7
91.01759	1.4
91.05439	0.8
93.03345	7.0
101.02348	1.6
105.03336	1.0
107.04915	0.9
108.02061	5.1
109.02844	2.9
113.02300	1.2
119.01314	1.0
119.04928	13.0
119.22668	0.7
121.02850	2.3
122.03636	15.1
123.04441	6.2
124.01524	1.7
125.02333	1.3
132.02089	1.6
133.02855	59.0
134.03700	6.1
135.04463	1.9
136.01532	1.1
137.02336	5.5
145.02882	1.1
146.03717	0.7
147.04564	1.4
148.01578	13.3
149.02299	1.6
149.05934	1.9
150.03140	2.9
151.03928	1.6
152.01050	1.2
153.01834	1.0
154.02620	1.1
154.04877	0.7
159.04446	1.0
160.01527	1.4
161.02371	2.9
161.04398	0.8
163.03922	11.1
164.03389	1.2
165.01744	0.9
165.04008	0.7
165.05481	1.8
166.04904	0.8
173.04494	1.8
175.03940	3.1
178.02628	0.8
179.03410	0.8
186.34848	0.7
188.01036	3.5
189.01863	1.5
190.02452	0.9
191.03419	0.8
191.05548	1.6
193.04999	5.1
193.35727	0.8
205.01280	0.7
219.02852	1.0
221.41606	0.7
229.72523	0.8
237.05556	1.0
249.05548	1.0
251.07101	1.9
265.05029	2.0
266.05835	8.3
267.06613	27.7
267.85251	0.8
268.07007	2.4
271.02435	1.0
281.08203	4.4
282.05347	16.4
283.05676	1.5
295.06116	20.7
296.06519	2.0
297.07681	100.0
298.07968	9.2
300.02667	1.0
313.07132	1.1
314.07458	1.0
315.08765	2.0
323.16595	1.2
325.07181	87.3
326.07562	8.7
343.08252	5.6
373.09323	2.0
403.17661	0.7
415.10327	7.9
417.11905	1.8
445.11398	26.3
446.11697	3.3
463.12473	7.4
464.12262	0.9
489.15549	0.8
521.10266	0.9
609.34869	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09559	0.4
57.03348	0.4
58.77491	0.4
59.01255	6.5
61.98697	1.6
63.02267	0.8
64.43260	0.3
65.00192	0.6
65.78607	0.4
69.48171	3.2
71.01260	2.1
73.02840	0.5
83.01268	0.9
85.02828	1.2
87.00751	1.6
89.02329	0.6
99.00745	1.0
101.02328	0.9
107.01237	1.9
108.02029	2.1
109.02846	1.7
113.02353	1.1
117.03369	1.2
119.01348	0.4
119.04928	0.8
121.02849	1.4
122.03671	0.4
123.00800	1.4
124.01572	1.2
125.02352	0.5
134.03636	12.5
134.04655	0.6
135.04419	0.9
137.02347	1.3
138.03056	0.7
139.03880	0.7
145.02849	1.4
147.00836	0.7
147.04440	1.1
148.01552	0.5
149.02359	2.8
149.06000	1.8
150.03108	0.5
151.00255	5.7
151.03908	0.7
152.01085	3.4
153.01825	0.8
155.04869	0.6
157.02834	0.4
159.04388	0.5
160.01567	1.8
161.02431	0.6
161.04437	0.5
163.00287	1.0
163.03996	1.0
164.04732	1.6
165.05496	1.0
168.00572	1.0
169.01324	0.5
171.04427	1.1
173.04507	0.5
175.00365	0.7
175.03912	3.9
177.01846	0.6
178.02652	1.1
178.99800	1.8
183.04460	1.6
185.02403	0.6
187.03938	1.1
191.03610	0.4
191.05528	0.7
193.04997	19.0
194.05315	0.9
199.03952	6.3
200.12199	0.4
201.01881	0.7
203.03490	1.1
205.04887	0.5
211.03989	1.0
215.03423	3.4
216.00558	0.5
223.06062	4.3
225.01999	0.5
226.02673	0.5
227.03438	5.8
228.03934	0.5
229.01332	0.5
237.03812	0.6
242.02148	4.3
243.02965	27.8
244.03503	2.2
254.02014	0.6
255.02972	12.6
256.03531	0.7
257.04547	3.5
258.04965	0.5
270.01700	4.9
271.02475	40.6
272.02994	4.1
284.03107	0.5
285.04037	6.7
286.04785	2.9
287.05493	2.5
299.01968	50.7
300.02673	21.1
301.03165	1.5
313.03528	1.8
314.04318	59.8
315.05051	47.8
316.05469	3.2
357.06219	0.6
357.13431	0.8
361.16724	2.3
369.13525	1.1
413.14529	0.5
429.10782	0.5
433.13712	0.7
447.11551	2.5
459.09546	1.1
477.10641	1.0
609.14587	100.0
610.14856	18.0
610.25214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88500	0.3
53.60859	0.4
59.01237	0.6
60.29344	0.4
65.00200	1.0
79.44293	0.3
83.01255	0.7
93.69026	0.4
107.01279	2.3
108.02062	1.3
109.02838	1.4
111.00829	0.4
121.02824	1.2
125.02254	0.4
135.00774	1.1
147.41930	0.4
148.01549	1.6
149.05954	0.5
151.00270	10.5
152.00848	0.3
163.00285	1.4
164.01059	0.7
169.01357	0.9
178.99788	5.6
187.03931	0.5
187.07568	0.4
192.00389	0.5
199.03865	0.5
203.03403	0.4
211.03929	0.5
216.04308	0.5
226.02650	1.1
227.03482	2.3
235.48550	0.4
243.02980	8.5
244.03532	0.9
245.04503	0.5
254.02167	1.8
255.02972	23.9
256.03360	2.5
271.02481	53.1
272.02930	6.2
273.03934	1.1
283.02475	0.6
287.01999	0.8
299.02121	2.1
300.02740	100.0
301.03412	29.6
302.04016	2.0
313.03458	0.4
315.01563	1.0
343.04547	1.0
591.05029	0.4
609.14600	92.9
610.14941	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19542	0.5
59.01240	1.3
60.90342	0.5
62.54187	0.4
65.00214	0.6
69.67384	2.7
71.01267	0.9
73.67245	0.4
83.01278	0.5
87.00745	0.5
99.00732	0.5
101.02309	0.5
103.72459	0.4
106.23126	0.4
107.01323	0.8
108.02065	0.9
109.02866	0.4
113.02290	0.5
116.49303	0.5
119.04983	0.9
124.01517	0.6
134.03642	3.8
145.02878	0.6
148.01576	0.9
149.06020	0.7
151.00237	2.8
163.04008	1.0
167.09694	0.4
175.03821	1.0
178.99733	0.4
179.03659	0.4
183.04477	0.6
193.04974	5.0
199.03984	1.5
201.01883	0.5
203.03247	0.5
215.03493	1.2
216.03999	0.5
226.02722	0.8
227.03511	2.5
242.02199	0.5
243.02953	4.9
244.03384	0.6
254.02185	0.6
255.02963	10.3
256.03351	0.7
271.02475	51.8
272.03006	4.3
272.58533	0.4
283.02301	0.9
285.04022	0.9
299.01959	58.3
300.02716	90.9
301.03061	6.2
314.04291	13.5
314.07904	0.8
315.05090	52.1
316.05408	3.3
357.06036	1.2
477.10455	1.2
609.14587	100.0
610.14911	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	607.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00506	1.3
59.01251	100.0
60.01583	1.7
61.98700	6.6
69.03377	1.4
70.21132	1.7
70.21537	3.1
71.01257	19.6
73.02813	5.1
75.00742	2.5
80.96387	2.5
83.01262	2.0
85.02828	8.7
87.00752	8.9
88.36690	1.2
88.37786	1.3
89.02319	12.8
94.70737	1.1
95.01247	2.2
97.02838	1.7
99.00768	2.4
101.02329	15.2
111.08055	1.7
113.02317	9.0
119.03391	6.1
119.04907	1.3
121.02851	11.4
125.02360	3.0
132.02116	1.6
133.02930	1.4
134.03619	2.3
135.04457	1.6
137.02371	3.3
143.03423	2.4
145.02940	1.5
147.04422	4.8
149.05984	1.6
160.01517	2.2
161.04475	3.5
163.03969	2.9
166.05022	1.5
173.04375	1.5
175.03906	3.1
179.05511	3.1
193.05020	2.2
199.07443	1.5
201.09186	1.3
209.11826	1.7
213.05260	1.2
213.18570	4.3
223.03908	1.5
225.04984	1.4
252.04240	16.9
253.04572	13.6
254.04747	8.1
267.06619	21.1
268.06946	25.3
269.07190	16.1
297.07745	1.5
313.03589	1.7
324.38446	1.5
325.27469	1.6
343.28519	3.3
367.28522	2.5
383.84070	1.2
486.22729	1.3
487.32770	35.9
488.33383	6.8
505.33926	13.9
506.34271	3.5
531.09149	2.6
547.34717	2.1
607.24347	6.4
607.35767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.0
64.27384	0.3
67.72073	0.2
67.72588	0.3
69.19091	3.3
70.20545	0.3
71.01254	1.8
72.99168	0.8
73.02833	0.5
75.00775	0.3
79.47593	0.3
85.02834	0.6
87.00757	0.9
89.02316	1.2
89.03847	0.9
93.03340	0.5
99.00766	0.7
101.02339	1.0
108.01387	0.2
108.02048	5.9
109.02863	0.4
113.02333	0.9
116.71967	0.3
117.03349	3.1
121.02848	0.8
131.03349	0.4
132.02058	1.2
133.02858	0.8
134.03632	57.6
135.03946	2.4
137.02324	2.1
138.01869	85.1
139.02214	2.9
139.03902	0.6
145.02895	0.3
147.04424	0.5
149.02388	0.4
149.04628	0.6
149.05986	7.8
150.03137	0.6
150.06317	0.4
160.01567	5.8
160.03844	0.4
161.02061	0.5
163.03827	0.4
175.03926	8.8
176.04243	0.6
178.02631	9.1
179.03070	0.5
180.02988	0.6
189.01886	0.4
191.05501	0.4
193.04990	100.0
194.05316	6.0
214.59473	0.3
271.06033	0.4
299.01886	0.6
300.02576	0.4
313.03497	0.5
314.04190	1.0
414.10370	2.5
432.11371	3.1
433.11716	0.5
532.09393	1.4
608.15326	1.8
621.49115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79664	0.8
54.42538	0.9
55.01743	1.1
57.03308	2.4
59.01252	100.0
60.01583	1.1
61.98701	9.9
66.52711	0.8
69.29222	5.5
69.29651	2.5
71.01255	22.0
72.99184	1.9
73.02814	5.2
75.00751	4.2
78.95731	1.1
83.01258	2.9
85.02812	8.9
87.00742	12.0
88.72067	0.9
89.02312	6.8
90.38258	1.0
93.03312	1.2
95.01244	2.2
97.02826	1.9
98.20506	1.8
99.00763	3.4
99.04400	1.2
101.02322	10.9
105.03298	1.1
108.02057	2.4
109.02827	1.7
113.02332	18.7
114.02676	0.9
119.03420	1.0
119.04902	1.2
121.02834	8.2
122.03623	1.3
124.01577	1.0
125.02371	1.7
129.01831	1.0
130.99786	2.2
131.03357	1.1
134.03639	2.7
135.04401	3.7
137.02325	3.7
143.03415	2.0
145.02820	3.3
146.03571	1.0
147.04430	6.9
148.05151	1.4
149.06021	2.5
159.04381	1.9
160.01543	1.6
161.02348	3.0
161.04454	3.9
163.03911	2.7
165.04045	1.1
173.04498	1.5
173.05966	1.4
175.03952	3.4
177.05647	1.4
183.10117	1.2
187.03909	1.3
187.07658	1.2
189.01970	2.0
191.03452	1.8
192.04234	1.9
193.04968	3.7
201.05405	1.0
202.06094	0.9
211.13345	1.7
213.18507	1.8
225.09167	1.1
235.02335	1.1
241.18250	1.1
255.02972	1.1
268.45483	1.0
269.04492	2.5
301.10947	2.4
313.03546	4.3
341.26996	1.0
343.08130	1.4
343.28506	1.6
357.26566	1.4
359.23923	1.0
359.28085	3.9
394.49084	1.1
445.24280	2.9
483.68918	1.1
487.32742	25.0
488.32980	3.0
503.32172	1.7
505.34045	6.5
521.33252	5.1
531.09485	4.8
547.34729	2.5
563.34357	34.7
564.34570	5.5
607.23596	3.7
607.34204	7.0
608.34808	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	607.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03333	1.7
59.01253	100.0
61.98709	9.0
71.01254	20.9
71.54562	1.1
72.99182	2.2
73.02813	5.8
75.00755	4.9
83.01271	2.4
85.02827	11.1
87.00764	12.5
89.02328	6.8
95.01268	3.2
97.06525	1.0
99.00757	2.9
101.02335	9.1
105.19771	1.1
109.02882	1.5
113.02330	21.4
117.03284	1.8
119.03371	1.9
119.04906	1.7
121.02838	7.5
125.02386	2.1
130.99773	1.8
133.02925	1.6
134.03635	3.1
135.04408	3.3
137.02339	3.2
139.04022	1.6
143.03406	2.8
145.02921	2.1
147.04411	5.7
149.05972	3.3
152.00996	1.9
153.64348	1.0
159.04410	2.7
161.02327	3.0
161.04456	5.4
163.03928	1.3
173.06023	2.0
174.03038	1.2
175.03957	1.9
183.10182	1.5
187.07617	1.6
189.01955	1.2
191.03392	2.4
192.04327	1.2
193.05038	2.7
203.07054	2.3
209.11667	1.5
211.03896	1.0
211.13431	1.4
213.18562	1.3
226.06282	1.1
229.04988	1.3
269.04526	3.0
313.03546	2.1
314.04404	1.2
341.26801	2.7
343.08224	2.1
343.28259	1.5
357.26556	2.0
359.27850	3.8
445.24280	2.4
487.32706	24.2
488.33054	3.1
503.32574	1.5
505.33624	9.8
521.33093	3.5
531.08832	2.5
547.34863	3.2
563.25812	2.2
563.34308	33.7
563.42700	2.5
564.34778	5.9
575.24402	1.3
607.23407	1.9
607.34241	6.6
608.35242	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	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73944	1.1
55.01755	1.4
57.03316	3.0
59.01252	100.0
61.98698	11.7
69.03342	1.2
69.57214	2.4
69.57617	7.5
71.00906	1.1
71.01251	14.7
72.99194	2.9
73.02840	2.8
75.00754	5.8
78.95824	1.3
80.06499	1.2
83.01252	2.8
85.02819	9.6
87.00751	14.4
89.02318	5.4
93.03321	3.0
93.40235	1.2
95.01289	1.7
95.04899	1.4
96.55941	1.3
96.95890	2.1
98.19798	2.7
99.00758	3.4
101.02323	11.8
108.02051	2.2
109.02839	2.8
113.02311	6.8
119.03382	2.1
119.04918	2.1
121.02850	23.3
123.04389	1.6
124.01563	1.3
125.02370	2.8
129.01833	1.4
130.99728	2.1
133.02820	2.0
134.03624	4.3
135.04390	5.4
137.02316	3.8
139.03938	1.2
145.02832	3.2
147.04410	11.6
148.05215	3.1
149.05952	3.4
151.03900	1.7
152.01042	2.2
159.04477	3.0
160.01552	2.0
161.02332	5.4
161.04393	2.4
163.03880	4.2
163.07578	2.2
164.04716	1.9
165.01727	1.7
165.03908	1.7
172.05183	2.2
173.06004	2.5
174.02969	1.6
175.03885	4.1
178.02464	1.3
179.10487	1.4
185.06000	1.7
186.06635	1.4
187.03928	2.3
187.07628	2.3
189.01865	6.6
189.05463	1.7
191.03365	2.3
192.04155	2.1
193.04939	5.4
199.07529	1.9
201.05482	2.6
201.09145	1.9
202.06419	1.3
209.11742	2.4
211.04063	1.5
211.13319	2.2
215.07085	2.8
219.89833	1.5
227.07057	1.6
242.02312	1.3
255.06427	1.5
269.04404	1.2
284.03149	2.0
301.10828	4.5
311.22150	2.3
313.03491	3.5
342.07117	1.7
343.08029	3.2
353.40900	1.3
359.27805	4.3
443.29932	2.8
456.84601	1.3
457.05505	1.9
461.30865	1.7
487.10605	3.3
487.32675	5.5
503.32379	2.9
505.34009	2.1
521.33240	4.4
531.09283	14.0
532.09900	2.0
563.34399	91.1
564.34723	15.9
607.24432	4.0
607.34851	3.7
617.66687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31938	0.4
55.01746	0.7
57.03332	2.2
58.00471	0.4
59.01252	13.0
61.98702	1.2
67.01731	0.5
68.04161	0.3
68.99686	1.2
69.03331	1.0
71.01257	11.8
72.99182	4.2
73.02814	1.4
75.00748	11.7
80.96378	0.6
83.01250	1.6
83.04861	0.5
85.02823	12.7
86.03152	0.6
87.00751	6.5
89.02325	2.5
93.03344	1.0
93.06970	1.9
95.01266	2.8
97.06451	0.7
99.00761	6.3
99.04408	0.7
101.02323	1.7
103.00258	1.0
106.77389	0.5
109.02836	0.6
111.00764	0.8
111.08036	0.4
113.02337	12.2
114.02678	0.8
115.00245	1.4
117.01807	1.6
117.03346	1.2
119.04892	1.1
121.01981	0.5
121.02851	8.7
126.67113	0.4
129.01833	1.2
134.03616	1.1
135.04437	1.0
137.02342	1.0
143.03343	0.5
145.02890	2.8
147.04410	1.2
148.01450	0.4
148.05154	0.6
149.05998	0.7
157.01286	0.8
159.04434	0.4
160.01590	0.5
161.02293	1.0
161.04472	0.8
163.03899	0.9
165.03973	0.6
166.02628	0.4
167.03432	0.6
172.05283	0.3
173.05981	0.6
175.02409	1.4
175.03926	1.2
175.07497	0.5
177.05510	0.4
181.08675	0.5
186.03259	0.4
187.03842	0.5
188.04735	0.4
189.01794	0.5
192.04314	0.4
193.04971	1.8
209.11777	1.5
227.03448	0.7
227.16490	10.0
228.16928	0.4
229.77502	0.4
231.04919	0.4
232.63940	0.4
239.03523	0.5
249.06117	8.3
250.06383	0.6
255.02985	0.8
267.07126	0.5
269.04550	9.7
270.04791	0.9
271.09787	0.8
283.02505	0.5
284.03268	11.7
285.03668	1.2
297.24338	1.4
299.05618	19.7
300.05887	2.2
307.08292	0.5
309.24237	0.6
313.03622	0.8
327.25427	10.3
328.25806	1.0
339.25287	1.3
343.08411	0.5
357.26453	34.1
358.26801	3.8
359.28122	3.9
360.28375	0.6
397.13599	0.5
459.27429	0.6
503.31674	0.4
531.09430	1.8
563.34235	0.9
589.32233	1.6
607.33350	100.0
608.24469	0.8
608.33679	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	607.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63740	0.4
55.01771	0.7
57.03327	3.6
57.71746	0.6
59.00925	3.1
59.01244	44.4
60.01630	0.5
61.98705	4.4
64.55009	0.5
65.00237	0.5
67.01807	0.7
69.03359	0.6
71.01260	7.1
71.41068	0.9
72.99229	1.0
73.02826	2.8
75.00781	1.3
78.13887	0.6
83.01279	1.2
83.04984	0.6
85.02833	4.2
85.03286	0.5
87.00758	6.0
87.01257	0.5
89.01875	0.5
89.02371	2.1
93.03382	2.3
95.01306	0.8
97.02911	0.9
97.06525	1.0
99.00818	2.1
99.04456	2.0
101.02327	5.2
107.04907	0.7
108.02119	1.2
109.02887	0.9
111.00804	1.3
111.04481	0.7
113.02310	3.6
117.03403	0.6
119.05008	1.6
119.08618	1.5
121.02906	1.7
123.00838	1.2
123.04491	1.4
125.02421	1.0
129.01825	0.5
130.99811	1.2
132.02068	0.8
133.10185	0.8
134.03627	6.9
134.04463	0.6
135.04468	1.6
135.08116	1.5
135.11758	1.0
137.02350	2.6
137.09627	7.9
138.10086	0.7
143.03421	0.8
145.02814	1.2
146.64780	0.5
147.04482	1.2
149.02380	1.3
149.06012	1.1
150.73645	0.5
151.00290	0.9
151.03979	1.7
152.01122	1.4
153.01843	1.0
159.02924	0.6
160.01631	1.7
161.02379	3.1
161.04445	4.0
161.09703	1.6
163.00369	0.7
163.04012	1.5
163.07608	1.2
164.04541	0.7
165.04178	0.8
165.05629	0.7
166.02621	1.3
167.03424	1.1
173.04520	2.5
173.05939	0.6
175.04015	1.9
176.52794	0.5
177.01935	2.8
177.05618	0.5
178.02751	0.8
179.03426	0.8
179.10725	2.8
181.05104	1.4
181.08624	13.3
182.08969	0.7
189.01872	4.5
190.99817	0.9
191.03818	1.1
191.05638	4.7
192.04338	1.0
193.05002	8.8
194.05444	1.5
195.04480	0.9
197.11780	16.6
197.13477	0.9
198.12178	1.2
201.01945	0.6
201.55499	0.5
206.02249	0.7
211.04016	1.5
217.05090	0.6
221.04582	1.3
223.06154	0.7
223.09673	3.8
227.03508	0.6
239.03546	1.2
241.10767	11.9
241.13138	0.7
242.11163	0.6
251.03511	0.9
251.11328	4.3
255.02994	0.8
263.91357	0.6
266.02289	1.1
267.03021	3.6
268.03802	1.8
269.04639	1.2
283.02786	0.8
291.03543	0.6
293.01224	0.6
294.01764	2.0
295.02509	10.2
296.03052	1.5
300.02798	0.6
311.02090	0.9
312.03040	0.7
313.03711	1.8
323.02045	1.2
327.05136	0.7
330.05692	0.7
339.01743	1.0
341.04639	0.7
343.08295	0.8
345.04080	0.7
353.10458	1.5
357.07758	0.7
358.04739	1.2
368.03635	0.5
383.15598	9.6
384.16257	0.6
385.03351	0.9
386.04391	1.6
388.11444	0.7
401.06451	0.8
403.13855	4.6
413.47662	0.6
414.03677	1.1
417.06155	0.6
429.06174	2.0
433.01822	0.9
444.08505	0.6
445.05618	1.4
455.03967	0.8
457.05795	1.8
461.08633	0.7
463.06735	4.8
464.06900	1.0
473.05051	5.7
474.05414	1.1
475.09665	0.7
483.03641	1.1
487.06436	0.9
499.06961	0.8
501.04678	25.3
502.05002	5.6
503.09811	1.6
515.06091	2.5
516.06781	2.9
517.07111	0.7
531.09338	100.0
532.09686	23.4
533.07397	0.9
545.16058	0.9
563.11859	3.5
575.08362	8.6
576.08270	1.1
589.15100	0.9
589.25195	1.7
592.18188	0.8
607.17786	2.4
607.26068	62.1
608.26587	11.7
627.89685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63740	0.4
55.01771	0.7
57.03327	3.6
57.71746	0.6
59.00925	3.1
59.01244	44.4
60.01630	0.5
61.98705	4.4
64.55009	0.5
65.00237	0.5
67.01807	0.7
69.03359	0.6
71.01260	7.1
71.41068	0.9
72.99229	1.0
73.02826	2.8
75.00781	1.3
78.13887	0.6
83.01279	1.2
83.04984	0.6
85.02833	4.2
85.03286	0.5
87.00758	6.0
87.01257	0.5
89.01875	0.5
89.02371	2.1
93.03382	2.3
95.01306	0.8
97.02911	0.9
97.06525	1.0
99.00818	2.1
99.04456	2.0
101.02327	5.2
107.04907	0.7
108.02119	1.2
109.02887	0.9
111.00804	1.3
111.04481	0.7
113.02310	3.6
117.03403	0.6
119.05008	1.6
119.08618	1.5
121.02906	1.7
123.00838	1.2
123.04491	1.4
125.02421	1.0
129.01825	0.5
130.99811	1.2
132.02068	0.8
133.10185	0.8
134.03627	6.9
134.04463	0.6
135.04468	1.6
135.08116	1.5
135.11758	1.0
137.02350	2.6
137.09627	7.9
138.10086	0.7
143.03421	0.8
145.02814	1.2
146.64780	0.5
147.04482	1.2
149.02380	1.3
149.06012	1.1
150.73645	0.5
151.00290	0.9
151.03979	1.7
152.01122	1.4
153.01843	1.0
159.02924	0.6
160.01631	1.7
161.02379	3.1
161.04445	4.0
161.09703	1.6
163.00369	0.7
163.04012	1.5
163.07608	1.2
164.04541	0.7
165.04178	0.8
165.05629	0.7
166.02621	1.3
167.03424	1.1
173.04520	2.5
173.05939	0.6
175.04015	1.9
176.52794	0.5
177.01935	2.8
177.05618	0.5
178.02751	0.8
179.03426	0.8
179.10725	2.8
181.05104	1.4
181.08624	13.3
182.08969	0.7
189.01872	4.5
190.99817	0.9
191.03818	1.1
191.05638	4.7
192.04338	1.0
193.05002	8.8
194.05444	1.5
195.04480	0.9
197.11780	16.6
197.13477	0.9
198.12178	1.2
201.01945	0.6
201.55499	0.5
206.02249	0.7
211.04016	1.5
217.05090	0.6
221.04582	1.3
223.06154	0.7
223.09673	3.8
227.03508	0.6
239.03546	1.2
241.10767	11.9
241.13138	0.7
242.11163	0.6
251.03511	0.9
251.11328	4.3
255.02994	0.8
263.91357	0.6
266.02289	1.1
267.03021	3.6
268.03802	1.8
269.04639	1.2
283.02786	0.8
291.03543	0.6
293.01224	0.6
294.01764	2.0
295.02509	10.2
296.03052	1.5
300.02798	0.6
311.02090	0.9
312.03040	0.7
313.03711	1.8
323.02045	1.2
327.05136	0.7
330.05692	0.7
339.01743	1.0
341.04639	0.7
343.08295	0.8
345.04080	0.7
353.10458	1.5
357.07758	0.7
358.04739	1.2
368.03635	0.5
383.15598	9.6
384.16257	0.6
385.03351	0.9
386.04391	1.6
388.11444	0.7
401.06451	0.8
403.13855	4.6
413.47662	0.6
414.03677	1.1
417.06155	0.6
429.06174	2.0
433.01822	0.9
444.08505	0.6
445.05618	1.4
455.03967	0.8
457.05795	1.8
461.08633	0.7
463.06735	4.8
464.06900	1.0
473.05051	5.7
474.05414	1.1
475.09665	0.7
483.03641	1.1
487.06436	0.9
499.06961	0.8
501.04678	25.3
502.05002	5.6
503.09811	1.6
515.06091	2.5
516.06781	2.9
517.07111	0.7
531.09338	100.0
532.09686	23.4
533.07397	0.9
545.16058	0.9
563.11859	3.5
575.08362	8.6
576.08270	1.1
589.15100	0.9
589.25195	1.7
592.18188	0.8
607.17786	2.4
607.26068	62.1
608.26587	11.7
627.89685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2431
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.82119	0.4
59.01249	5.1
61.98705	11.8
63.96112	1.5
69.03318	0.7
71.01250	8.5
71.54594	0.7
72.99219	0.5
73.02798	2.3
73.58432	0.4
75.00723	0.9
78.95779	1.0
78.98467	5.8
79.95123	0.5
79.95607	15.9
80.96392	70.0
81.03320	0.7
83.01262	0.8
85.02831	4.5
87.00758	6.3
88.89499	0.5
93.03336	0.5
94.97964	15.9
95.01244	1.0
96.43962	0.4
96.95882	1.2
97.02825	1.5
99.00764	1.5
101.02328	3.0
106.97972	3.4
109.02856	0.7
113.02311	1.5
119.04933	1.2
121.02835	2.0
122.97448	3.6
125.02331	3.1
127.03880	0.8
134.97461	5.4
136.99002	1.7
137.02316	1.6
139.03873	0.5
146.97484	0.5
147.04424	3.8
148.05148	1.1
148.99037	5.2
149.05891	0.8
152.01096	0.5
152.98511	6.4
152.99516	0.8
159.04408	0.6
161.02344	1.0
161.04349	0.6
163.03935	0.5
164.41086	0.5
164.98541	12.2
167.00146	0.8
172.05246	0.7
173.05969	0.6
174.03088	0.5
175.03915	1.3
179.03418	0.7
185.06125	0.4
187.07504	1.0
189.01834	0.6
191.03392	1.3
192.04129	1.3
193.04936	1.1
196.46796	0.4
201.05409	0.7
206.99638	2.7
209.11740	1.3
211.13303	1.4
214.06317	0.7
215.07054	0.8
225.00694	15.9
231.06522	1.5
257.08029	0.9
279.60315	0.5
285.07645	0.8
287.08102	0.6
291.19562	0.6
299.04395	3.0
309.04279	0.5
313.03397	0.9
343.08124	0.5
371.06348	0.8
397.08960	0.6
448.51675	0.5
459.29950	0.6
531.09198	1.0
607.24274	100.0
607.79419	0.6
608.14960	1.0
608.24579	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28467	0.3
57.03326	0.6
59.01247	6.0
61.98706	1.0
69.70978	2.1
69.80397	0.3
70.36032	0.3
70.74794	0.3
71.01257	5.7
72.99180	0.4
73.02821	2.0
75.00746	0.4
83.01291	0.8
84.03452	0.4
85.02835	3.1
85.10646	0.3
87.00762	1.9
87.65546	0.3
89.02308	1.0
91.01772	0.3
91.05428	0.6
93.03338	1.4
95.01282	0.6
97.02806	0.3
99.00770	1.5
101.02327	3.3
104.02563	0.5
108.02039	0.6
111.00707	0.4
113.02322	3.6
117.03356	1.8
119.01294	0.9
119.04906	0.9
121.02849	8.8
123.04430	0.6
125.02369	0.5
129.01823	0.4
132.02090	4.6
133.02815	1.0
134.03636	13.9
135.04411	1.0
137.02341	1.4
138.01860	2.4
138.05473	1.9
143.03441	0.6
145.02835	1.7
147.00784	0.4
147.04399	3.4
149.02353	55.6
149.05934	2.3
150.02686	2.6
151.00240	0.5
152.01094	0.4
160.01584	15.3
161.02354	3.7
161.04451	1.6
162.02985	0.4
163.03975	0.9
164.04709	49.4
165.03917	0.4
165.05046	2.0
175.00323	4.0
175.03928	15.5
177.01836	0.3
178.02628	0.5
179.03421	0.4
179.07063	5.1
181.04910	0.4
187.00259	1.0
189.01848	1.7
190.02637	8.9
191.19835	0.4
193.01366	0.8
193.04999	17.0
205.05011	10.5
206.05325	0.8
208.03711	1.6
223.06079	100.0
224.06412	6.6
230.99153	0.4
255.03009	0.5
269.04596	0.4
269.10284	0.9
271.02277	0.3
285.04007	0.3
299.05292	0.4
313.03531	2.2
327.01526	0.7
342.07397	0.5
343.08237	1.2
358.06845	0.5
383.13287	0.6
401.14481	1.8
448.51688	0.4
487.10455	0.9
503.09900	3.2
503.32492	1.7
521.33173	0.9
531.09332	7.4
532.09607	1.5
547.24957	0.4
575.08765	0.4
607.18848	2.4
607.28162	7.2
608.19421	0.5
608.27942	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	607.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77957	0.3
59.01239	2.4
68.41069	0.3
71.01246	1.7
71.53972	0.4
72.99181	0.4
73.02812	0.7
75.00705	0.3
85.02810	0.7
87.00746	1.7
89.02316	1.1
92.19578	0.3
93.03328	0.5
99.00798	0.4
100.77274	0.3
101.02306	0.9
104.20618	0.3
108.02081	0.5
109.02799	0.6
111.00763	0.4
113.02297	0.7
119.03438	0.4
119.04972	0.5
121.02834	0.4
122.98745	0.3
123.04413	0.6
125.02331	0.4
134.03622	0.6
137.02325	0.7
145.02852	0.7
147.04436	0.7
149.02356	0.5
149.05913	0.5
152.01067	0.7
161.02428	0.5
163.03940	0.5
164.04715	0.8
165.05457	0.3
167.03354	0.7
173.04381	0.3
176.01010	0.4
189.01906	0.3
191.05591	0.4
193.04959	0.5
195.44073	0.3
196.86853	0.3
209.11787	3.0
224.36072	0.3
227.03476	1.0
239.03348	0.3
241.04959	0.4
255.02986	13.2
256.03314	1.0
267.03046	0.5
269.04572	9.7
270.04965	0.7
271.02481	0.7
275.09940	0.3
283.02484	18.1
284.02795	1.6
297.04050	26.2
298.04785	18.6
299.02075	0.6
299.05106	1.9
300.02704	0.9
305.31125	0.3
313.07178	100.0
314.04446	0.4
314.07535	10.1
315.04919	0.7
329.14008	0.7
343.08215	0.5
397.13565	1.6
415.14709	0.9
433.15140	0.6
563.27051	0.5
607.14594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1673
Annotation	CHEBI:68350
Peak:m/z	Relative Intensity
59.01244	18.7
62.87391	1.4
66.63861	1.7
67.65907	1.5
69.34277	13.2
71.01264	9.7
71.71487	1.3
73.02831	2.0
82.06351	1.6
85.02818	2.8
87.00756	5.9
89.02309	6.8
91.01745	2.5
91.05392	5.8
93.03320	3.4
93.31326	1.4
95.04891	5.0
99.00786	2.2
101.02319	5.2
103.05407	2.5
104.84148	1.5
105.03312	5.3
108.02074	2.5
111.00790	1.5
113.02321	4.0
119.03357	4.2
119.04929	10.8
121.02843	9.0
122.03615	3.5
123.04392	3.4
129.03377	1.7
132.02025	3.0
133.02805	3.0
135.00665	1.9
135.04404	2.6
137.02362	14.6
139.03908	4.3
145.02847	3.7
147.04434	41.8
148.05203	8.7
149.02394	3.6
149.06004	9.2
153.01753	2.2
156.82901	1.8
157.41017	1.4
160.01575	3.4
161.02432	7.7
161.04526	1.9
163.03935	12.1
164.04556	1.7
175.02501	2.9
175.03918	33.8
176.04691	7.8
181.04922	1.7
183.04424	3.1
189.01926	2.1
189.09122	2.1
190.16174	1.7
191.03452	12.8
191.07022	4.9
192.04216	13.1
193.05029	9.3
207.02965	3.0
207.06573	79.0
208.06895	6.2
209.11847	1.7
217.01463	2.4
226.02599	1.8
227.03436	14.0
228.04042	2.1
235.02373	2.6
236.03188	5.3
237.07680	2.4
239.03456	3.1
255.02966	24.0
256.03598	2.6
267.06317	1.7
270.05301	3.3
283.02524	15.2
284.03287	9.7
285.03497	2.2
292.07315	1.5
298.04794	17.4
299.05548	13.4
313.07071	1.9
383.06644	3.0
383.11337	36.4
384.11627	4.4
397.09048	1.6
399.13419	1.7
409.09241	6.7
461.17984	3.0
607.16663	100.0
608.16901	15.2
637.41113	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	606.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43035	0.4
53.91925	0.5
59.01253	0.6
60.99170	0.8
61.98701	1.8
62.88102	0.5
69.49732	0.5
71.53842	0.7
75.00776	0.4
78.95778	100.0
87.00732	0.7
88.98681	6.1
89.02325	0.9
92.74809	0.5
93.91253	0.5
96.96844	24.9
101.90931	0.5
107.03477	0.9
111.41118	0.4
111.42556	0.4
134.04623	12.3
138.97914	1.7
147.04391	0.5
150.97937	2.4
163.07616	0.8
166.39825	0.4
175.01810	0.4
192.99017	1.2
211.00052	2.5
328.04727	2.8
346.05579	62.5
347.05811	3.9
395.27026	0.5
520.38324	0.5
530.82788	0.6
531.09558	1.4
606.27014	5.2
607.26904	1.6
616.82617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91361	0.4
71.02775	1.4
86.52833	0.5
89.03852	1.1
93.03368	0.5
111.00777	1.2
117.03319	0.7
123.79574	0.5
131.01317	0.8
133.02867	5.7
134.03572	0.8
149.02359	2.8
159.00798	0.7
160.01587	0.5
161.02354	30.0
162.02689	1.0
163.00290	0.5
177.01854	1.5
187.00285	7.9
188.00829	0.6
189.01862	43.6
190.02173	2.3
191.03419	0.5
193.05003	0.9
205.01340	1.8
211.03912	1.2
225.01877	1.1
227.03403	0.8
230.99548	0.7
238.02643	0.6
239.03462	1.0
240.04161	0.7
241.01361	1.3
253.01241	0.6
255.03008	0.8
256.03613	0.5
266.02264	0.8
267.02982	1.1
269.00909	1.2
282.01608	0.7
283.02426	0.9
284.03210	2.1
294.01770	0.7
295.02414	0.7
296.03152	0.7
297.00598	0.8
297.03659	0.6
299.01877	0.6
299.05630	1.4
302.05988	0.7
310.01169	1.0
311.01974	1.5
312.02853	3.2
313.03525	2.4
314.08121	1.3
327.05121	1.8
328.05908	1.1
330.05402	0.6
335.85913	0.5
342.07498	9.9
343.08087	4.7
344.03101	0.5
361.03400	0.5
385.03403	0.8
386.04221	0.8
389.02747	0.5
411.04950	0.9
413.03049	0.6
419.07935	0.6
429.06314	1.0
433.01959	1.0
455.04053	0.8
463.06708	3.3
473.05161	2.1
483.03665	1.7
487.10498	2.6
501.04572	3.0
502.05313	0.8
503.09805	6.6
504.10281	1.1
513.08075	1.4
516.07098	1.0
531.09326	100.0
532.09668	12.4
541.00024	0.5
557.07391	1.3
563.11969	1.7
575.08215	5.4
576.08698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11895	0.3
63.05273	0.4
66.86966	0.4
70.30102	0.9
70.30503	0.6
82.91897	0.4
87.00749	0.5
89.03846	1.1
93.03307	0.5
101.03890	0.4
111.00745	1.3
115.01756	0.4
117.03346	1.2
118.61439	0.4
130.80412	0.4
132.02061	0.6
133.02847	6.5
133.86024	0.4
149.02374	2.6
159.00748	0.7
160.01585	1.1
161.02356	33.7
162.02722	1.5
163.03822	0.4
176.01056	0.5
177.01889	1.9
181.08618	0.8
182.03648	0.4
187.00294	8.3
188.00803	0.4
189.01866	46.6
190.02231	2.2
205.01358	3.8
210.03215	0.5
211.03908	1.2
213.01768	0.7
221.04460	0.9
222.03253	0.7
223.03859	0.4
225.01854	1.3
227.03519	0.7
238.02713	0.7
239.03444	1.2
239.07233	0.4
240.04225	0.8
241.01360	0.8
241.10852	0.5
253.01418	0.6
255.02934	1.4
256.03741	0.7
267.02924	1.0
268.03726	1.2
269.00912	1.9
269.04214	0.5
271.02499	0.6
283.02417	2.2
284.03201	2.6
285.03818	0.5
294.01822	0.7
295.02582	0.8
296.03275	0.6
297.00409	1.2
297.04163	1.2
298.01328	0.6
298.04495	0.7
299.02573	0.4
299.05600	2.0
300.73947	0.5
310.01190	0.9
311.01971	1.7
312.02805	4.0
313.03552	2.4
313.06866	2.6
314.07877	1.4
326.00690	0.5
327.05139	1.4
328.06033	1.1
330.05435	0.6
334.00815	0.5
336.08215	0.4
342.07574	9.5
343.08295	4.1
358.04529	0.6
361.03577	0.7
369.04016	0.6
373.07205	0.8
385.03284	0.9
386.04224	0.8
397.03671	0.5
401.06879	0.8
405.02505	0.9
411.04971	0.7
413.02710	0.5
414.03595	0.6
417.05896	0.7
429.06229	1.6
433.01862	0.7
443.08060	0.7
445.05637	0.9
457.05930	0.9
463.06677	3.7
464.06839	0.5
469.02045	0.5
473.05170	1.6
483.03656	1.6
484.03589	0.5
485.08865	0.5
487.10522	2.3
498.05261	0.4
499.06931	0.5
501.04453	2.9
503.02695	0.5
503.09805	7.0
504.10190	1.3
513.08350	1.1
516.07159	1.0
531.09338	100.0
532.09680	15.4
533.07660	0.8
557.07166	1.4
563.11926	4.7
575.08246	4.4
576.08777	0.6
607.16888	0.9
607.25299	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	605.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47913	2.7
57.03320	6.8
59.00951	4.9
59.01252	100.0
69.24648	25.9
71.01252	28.2
72.99200	3.0
73.02826	17.1
75.00732	2.8
79.11617	2.6
83.01250	4.9
85.02821	13.5
87.00748	95.7
89.02333	10.5
93.03356	6.9
95.01263	4.9
99.00755	11.1
101.02321	24.2
105.03330	3.0
107.04954	3.6
108.02069	2.9
109.02860	3.6
113.02341	16.7
113.38930	2.5
119.04926	6.2
121.02874	20.4
122.03634	6.5
123.04419	17.3
124.01598	3.1
125.02312	5.5
130.99773	19.1
135.04364	3.3
135.64735	2.6
137.02377	9.0
137.09605	3.5
145.02841	3.8
147.04428	9.0
148.05177	3.1
149.06023	14.7
151.00262	3.7
153.01801	3.2
159.02968	3.0
161.04489	14.7
161.09627	8.1
161.13292	5.0
163.03911	9.9
163.11270	4.8
164.04622	6.5
165.05440	2.9
173.04483	5.3
173.05931	3.8
175.03925	6.3
186.01880	3.6
187.07387	2.6
187.11151	12.2
188.04700	3.8
189.09106	3.7
190.02415	2.5
191.03400	10.3
193.05005	12.0
205.12260	5.8
207.10248	4.6
217.01520	2.6
217.08543	3.5
218.02179	7.3
219.02895	4.9
223.08261	16.7
223.13371	22.5
223.19255	2.5
224.01312	2.4
225.14905	7.4
243.06578	4.2
249.05966	3.3
249.11320	8.3
255.05133	5.3
267.07291	3.4
267.12363	7.7
281.07278	2.8
285.04031	3.2
291.09418	3.1
313.03528	6.2
313.06979	3.0
314.07565	2.8
328.04944	5.4
329.05551	5.7
335.46442	3.4
339.04297	2.7
343.08084	4.4
349.09293	7.8
355.12546	36.4
356.12598	3.4
359.09491	4.8
368.07922	3.8
369.08157	8.6
369.19058	3.9
375.07440	3.5
376.07947	22.9
387.20181	6.9
400.10434	8.9
401.10803	27.0
408.07080	3.9
425.55685	2.7
429.21289	5.8
519.24884	2.8
543.14575	3.2
545.12921	8.7
561.25482	34.0
562.25659	4.3
569.12732	10.3
570.13776	3.0
587.13788	13.1
588.14490	3.5
605.14990	46.0
605.24603	56.4
606.15118	12.8
606.24976	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	605.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38681	0.6
56.74930	0.6
78.95763	0.6
98.20603	0.9
150.79810	0.6
159.79372	0.7
172.31395	0.6
209.92958	0.6
294.17603	0.6
355.72244	0.7
415.15427	1.0
416.17102	1.1
429.16873	1.1
443.18954	1.1
457.20297	1.9
459.17975	3.2
471.18362	2.0
472.19214	0.7
473.19794	5.5
474.20197	1.7
475.21664	1.3
485.24185	1.4
486.21033	4.1
487.20963	0.9
489.52695	0.7
496.18878	1.2
499.17706	2.4
500.18323	0.9
501.23590	3.3
502.20602	0.7
511.21500	2.9
513.19379	2.6
514.20068	11.6
515.20374	2.1
517.18768	0.9
518.19769	1.9
529.22473	100.0
530.22760	23.8
532.21100	1.7
533.21466	1.6
605.24139	2.1
624.79175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.6
59.01256	100.0
62.76651	2.2
63.83688	1.9
69.28502	15.7
69.28914	4.4
69.50513	1.9
71.01260	43.1
72.99191	2.9
73.02818	24.2
75.00745	4.0
79.23368	2.1
83.01264	5.3
85.02842	10.7
87.00751	28.4
88.98701	5.6
89.02317	34.2
89.74408	2.4
95.01249	2.8
97.02750	2.3
98.19834	4.2
99.00763	80.8
101.02335	19.3
112.05638	2.2
113.02351	23.1
119.03381	6.2
123.04376	6.8
125.02343	3.1
130.99745	2.3
131.03398	7.6
133.06487	2.3
137.02391	2.9
143.03342	3.3
147.04388	6.0
149.02429	3.4
149.04445	26.7
149.05850	5.7
161.04486	8.3
165.05382	3.9
173.09810	3.8
175.03891	5.1
177.01813	3.2
189.12767	7.0
191.05539	28.9
195.02837	2.9
203.05495	11.8
207.13591	2.8
219.03105	3.2
233.06607	8.0
255.05138	5.2
284.03290	2.9
336.97510	2.7
343.07919	3.0
349.09177	2.4
350.23260	2.5
354.07367	2.6
369.09732	3.4
387.20288	4.4
429.21216	8.5
519.24011	11.0
561.25635	53.6
562.25958	10.1
569.12677	4.7
587.13879	6.8
605.14520	15.0
606.15521	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	605.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07024	0.2
70.44603	0.6
70.44994	0.6
78.95822	0.3
83.08621	0.2
87.69434	0.3
106.06528	0.4
162.05527	0.5
249.71820	0.3
252.09526	0.3
327.65646	0.3
340.41327	0.3
394.11899	0.3
415.15463	0.6
416.16486	0.7
428.16507	0.4
429.17261	0.6
430.18091	1.1
443.18695	1.2
444.19366	0.4
455.18845	0.5
457.20966	1.7
458.21179	0.5
459.17914	3.4
460.18558	0.5
461.23541	0.5
469.20355	0.5
470.20889	1.1
471.18393	1.5
472.18698	0.9
473.19757	4.7
474.20297	1.0
475.21500	0.8
485.19598	1.3
485.23688	1.2
486.20813	3.7
487.21271	1.8
496.18805	0.8
499.17639	1.9
500.18112	0.6
501.23969	3.2
502.20419	0.5
503.20908	0.7
511.21429	3.1
513.19385	2.5
514.20142	8.5
515.20331	1.6
517.18591	0.4
518.19281	1.4
528.21783	0.9
529.22467	100.0
530.22797	21.5
532.21045	2.0
533.21716	2.3
534.21777	0.4
561.25250	0.9
562.25543	0.4
573.21283	1.1
605.23956	1.6
606.24347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.2
59.01503	0.7
71.01263	1.5
75.68826	0.7
85.02864	0.8
86.89997	0.8
87.00750	100.0
88.01095	1.3
113.02417	0.8
120.19382	0.9
121.02881	1.1
122.03653	0.9
123.04405	12.6
126.24698	0.8
130.99753	25.2
132.00031	0.9
135.04356	1.1
137.02359	1.3
137.52501	0.8
147.04411	1.4
149.04968	0.8
149.05962	4.5
150.03117	1.2
159.04385	2.4
161.02342	1.3
161.09634	1.1
162.03195	0.9
163.03824	1.7
164.04688	1.5
165.05475	3.5
188.04634	1.5
193.05008	2.7
195.02922	2.4
217.08626	2.8
219.02890	1.6
223.13322	1.6
243.10242	1.9
249.11151	1.0
253.03362	1.2
254.04332	16.2
255.05003	8.1
259.09720	1.0
261.11188	2.0
293.55405	0.9
349.09280	18.1
350.09827	3.1
355.12561	2.1
393.80658	0.9
545.13184	1.8
569.12634	1.9
587.13800	4.0
588.14563	1.0
605.15320	22.9
605.24542	3.8
606.15326	3.8
606.23993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17667	0.2
59.01257	2.1
69.19262	2.1
69.19672	0.4
71.01267	1.1
73.02816	0.3
80.96403	0.9
81.48235	0.2
85.02826	0.4
85.40616	0.2
87.00752	0.9
91.05407	0.3
94.98011	0.2
97.06470	0.3
101.02345	0.7
109.02877	0.3
113.02320	0.4
119.04899	0.4
121.02868	1.1
132.02058	3.7
133.02870	0.4
134.03639	1.3
135.00783	0.6
135.04424	0.6
137.02335	0.7
139.03937	0.3
146.03688	0.4
147.04436	2.2
148.05145	0.7
149.05969	0.4
153.01872	0.3
159.04390	0.6
160.01569	3.2
161.05905	0.3
164.98448	0.3
166.05005	0.6
172.05232	0.7
173.05927	0.8
174.03116	0.3
174.06787	0.5
175.03914	3.9
184.74921	0.2
185.06000	0.7
187.03903	0.3
187.07561	0.8
191.03377	0.5
192.04240	0.6
193.04950	1.2
195.04434	1.6
196.05165	0.6
197.05820	0.3
199.07494	0.5
201.05399	0.4
201.09128	0.8
202.06233	0.4
202.09576	0.4
208.05255	1.5
209.05963	0.3
211.13335	0.5
213.05539	0.3
214.06288	0.4
215.07072	0.7
223.01878	0.5
223.03969	6.5
223.06177	0.3
224.04686	2.6
224.37219	0.3
226.09862	0.3
229.08614	0.6
243.10152	0.4
245.08157	0.3
251.03464	4.7
252.04257	57.8
253.04588	4.9
267.06613	100.0
268.06958	10.0
285.07666	0.4
297.15002	0.8
298.15292	0.3
311.12790	0.4
324.16721	0.3
337.09283	2.2
339.15994	0.4
341.17407	0.6
437.70560	0.4
447.19818	0.2
454.71265	0.2
467.71689	0.4
561.25195	0.3
574.23688	0.2
604.73016	0.3
605.23175	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	605.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26813	1.4
55.01737	1.9
57.03320	9.7
57.53944	1.4
59.01252	42.6
61.98697	7.3
68.99673	3.1
69.03314	1.7
69.33271	11.2
71.01254	33.9
72.99181	17.7
73.02818	8.4
75.00748	24.1
75.56281	1.3
79.95554	1.6
81.03299	1.7
83.01210	5.1
83.04868	2.7
85.02824	29.3
87.00754	22.8
89.02319	8.1
89.03816	3.3
93.03302	4.3
95.01260	7.5
95.04887	1.9
97.02818	1.6
99.00754	20.9
99.04349	3.8
101.02301	9.0
103.00198	3.4
107.04904	15.1
108.02024	3.0
109.02815	3.0
111.00773	18.2
111.04403	1.3
113.02333	32.0
115.00249	3.1
117.01789	2.6
117.03338	7.4
119.04838	4.6
121.02808	7.2
123.04400	3.0
123.08031	7.7
124.01530	7.4
125.02257	4.7
129.01755	5.2
132.01962	5.4
133.02863	7.8
134.03636	80.4
135.04256	9.0
135.07939	2.0
137.02266	5.4
139.00316	6.4
139.03883	1.6
141.09042	1.6
143.03325	4.1
145.02808	3.6
146.03326	1.4
147.04326	4.7
148.05110	2.5
149.02263	3.0
149.05991	9.9
150.06274	1.5
151.03822	3.2
152.00989	2.4
157.01228	5.0
159.04338	2.8
160.01582	24.3
161.02232	4.9
161.04422	2.2
163.03856	7.0
164.04547	2.1
167.03284	4.3
171.02792	4.5
171.04213	1.7
173.04477	2.6
175.02339	3.6
175.03896	25.8
176.01009	3.3
177.01706	5.4
178.02518	1.9
179.03427	63.2
179.06955	8.1
180.03673	3.1
181.04915	1.5
189.01718	1.5
191.03268	3.7
191.05373	2.8
192.03783	1.4
193.03398	10.2
193.05011	63.5
194.05183	5.7
209.08145	37.3
210.08342	2.5
218.01987	1.4
234.04968	1.5
249.03877	1.6
249.06064	20.3
251.16385	3.3
254.04198	1.8
258.04431	1.3
263.07706	2.6
267.06662	2.3
349.08987	2.2
362.31934	1.8
363.10480	1.9
366.09470	2.0
367.10104	1.6
368.66168	1.5
381.11829	2.6
397.11090	3.0
401.11865	4.4
407.09222	1.6
411.08838	4.6
425.10974	16.4
426.10776	1.4
429.10370	100.0
429.15994	3.3
430.10794	11.3
431.15689	1.9
439.12115	7.1
457.13571	16.9
457.24280	1.3
561.32886	10.2
605.14911	49.1
605.26941	3.9
605.35278	2.8
606.14807	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81537	2.0
58.74379	2.1
59.01250	6.0
60.99173	11.1
67.98683	1.8
70.84976	2.0
71.53397	2.7
71.53789	2.1
78.95786	6.8
83.66025	2.1
85.02798	2.8
87.00759	7.6
88.00289	11.6
88.98682	70.6
89.02319	100.0
90.02637	2.7
123.07536	2.0
133.13651	2.5
147.04494	2.7
152.99496	2.8
171.10175	3.1
277.21851	3.7
278.80133	2.1
357.95316	2.4
419.74161	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.6
60.99178	9.3
61.98714	1.2
69.25742	10.4
77.84443	1.2
78.95773	1.5
87.00760	5.5
88.00283	8.8
88.98682	49.5
89.02316	100.0
96.95852	2.1
130.23111	1.2
147.04385	1.8
182.14743	1.0
277.21552	2.2
319.59546	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	603.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.8
66.51105	1.9
69.69349	6.0
69.69762	5.6
71.01234	4.4
73.02779	2.0
83.04873	3.3
85.02811	7.1
87.00745	6.2
93.03335	14.2
96.04418	4.4
96.96025	1.9
98.19866	2.5
100.56689	1.6
108.02042	17.4
109.02817	7.7
111.04378	7.3
112.48280	1.9
121.02850	3.9
122.03617	3.3
123.04373	7.2
129.01808	3.7
130.84956	2.1
131.04877	2.2
134.03607	2.6
137.02327	5.6
146.03624	6.0
147.04427	6.7
152.01033	10.0
155.03427	3.3
159.04424	100.0
160.05186	21.9
161.02306	3.0
161.05994	30.1
171.67400	2.1
172.05316	2.7
173.02303	3.4
173.02982	2.7
173.04449	28.0
173.05980	27.9
175.03853	2.5
187.03912	7.5
191.05519	48.7
199.03900	2.4
203.03401	8.0
204.04202	5.6
211.31268	1.9
213.05476	4.5
219.06535	3.9
225.05533	2.7
229.01360	2.1
239.07120	2.7
241.05025	11.8
250.06320	2.9
253.04822	2.9
254.05591	3.4
256.07419	6.3
261.05640	2.3
262.05844	5.5
265.08511	2.8
266.05817	6.0
267.06549	20.5
279.06482	8.9
280.07242	8.1
281.08163	14.1
282.08939	60.3
283.09274	4.6
293.04709	2.2
295.09818	5.0
295.97079	2.4
297.07938	4.0
297.11319	71.7
298.11725	7.0
306.05127	4.1
307.06073	9.9
308.06790	18.4
321.07660	10.7
323.09286	20.2
341.10275	45.1
342.10672	2.8
349.07104	8.3
367.08243	37.6
368.08548	5.0
385.09341	15.9
393.06168	42.2
394.06302	5.6
411.07059	8.9
429.08551	3.7
447.11398	3.1
559.15228	4.2
585.12561	7.1
603.13568	51.9
604.13531	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	603.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03338	3.9
59.01255	21.0
61.58987	0.7
63.92770	0.9
64.44333	0.8
68.99686	2.5
69.03326	1.8
69.22190	5.8
69.22608	1.8
71.01257	15.4
72.99159	2.4
73.02817	2.9
81.03297	0.8
83.01256	2.8
85.02825	21.4
87.00766	9.3
89.02315	3.4
89.03853	2.2
91.03869	1.4
93.03349	1.5
95.01260	3.4
97.02843	0.9
98.19665	1.4
99.00742	3.1
99.04401	1.7
101.02324	3.0
111.00769	3.8
112.01553	1.5
113.02334	23.2
117.03358	29.1
118.03703	0.9
119.04922	36.7
120.05241	2.2
121.02836	2.3
123.04436	2.0
124.29468	0.8
127.03881	1.2
129.01836	2.8
131.03365	1.1
131.05702	0.7
132.02037	3.4
133.02814	4.8
134.03638	81.9
135.00752	1.2
135.04053	4.3
137.02335	1.1
137.09639	1.4
139.00288	1.4
145.02861	61.0
146.03201	2.4
149.06015	8.6
153.09052	1.2
157.09413	0.8
160.01582	14.4
161.02299	3.4
162.03069	1.0
163.03926	44.6
164.04250	2.3
173.04402	1.2
175.03935	18.0
177.01793	1.2
178.02667	1.2
179.03427	2.8
179.10689	1.4
181.08607	3.5
189.03999	1.6
193.04997	57.7
194.05388	3.2
197.11684	4.7
201.05516	1.3
203.07063	1.9
205.07127	1.6
207.05093	1.0
219.06552	1.4
223.09711	1.2
237.07567	1.2
241.10753	2.8
243.10345	1.1
249.06035	3.3
250.03825	0.9
255.03024	2.7
261.07666	4.9
263.07730	11.2
267.08780	1.8
269.09338	0.9
276.06445	1.8
281.08786	34.2
282.09015	1.5
283.02405	3.1
284.03198	2.5
333.09830	5.1
363.10907	1.8
379.15848	1.6
381.10004	2.6
395.09811	1.8
399.10745	1.1
409.11407	10.7
410.11633	2.1
413.12436	1.4
425.10880	6.6
426.11603	1.0
427.12439	35.8
428.12799	3.6
429.15472	4.3
430.15900	1.0
439.12393	2.9
457.13519	100.0
458.13861	13.5
527.15546	2.9
552.76514	0.8
571.14691	2.2
585.15863	2.2
603.17065	32.7
603.26611	16.6
604.17426	6.6
604.26007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22997	1.0
51.37815	1.0
53.20886	1.0
54.88338	0.9
57.05732	1.0
59.01258	10.7
61.91095	1.1
61.98681	1.8
71.01241	4.6
71.04872	3.2
71.53018	1.7
72.99163	1.4
73.02824	1.4
75.00726	2.8
78.68626	1.0
83.01299	1.0
85.02822	2.0
87.00751	45.3
88.01062	1.1
89.02306	1.6
93.03308	2.5
95.04879	1.4
96.95848	1.7
97.54035	1.1
99.00745	3.5
99.10538	1.0
101.02309	2.0
108.01997	1.5
109.02859	2.1
111.00774	1.2
113.02328	2.3
119.04909	3.5
119.46525	1.0
121.02860	13.1
122.03596	3.8
123.04414	43.9
124.04745	2.2
125.02343	1.2
128.01062	5.7
129.43636	1.1
130.99753	5.8
131.04919	1.9
133.02856	2.0
134.03603	1.9
137.02301	3.5
145.02841	3.0
146.03522	1.4
147.04449	7.7
147.06529	10.0
148.05154	2.2
149.02412	1.6
149.05988	46.0
150.03082	2.9
150.06351	1.9
151.03917	1.2
159.04333	2.3
160.00014	1.1
161.02292	2.9
162.03125	2.2
163.03914	3.5
164.04636	1.8
165.03986	3.8
165.05458	12.4
165.91487	1.0
172.03227	1.2
172.05112	1.4
174.03056	1.7
175.03918	42.8
175.07733	1.1
176.04254	2.7
177.01881	5.2
187.03893	3.2
188.04681	4.2
191.03433	2.8
191.05472	1.9
193.01350	2.8
193.04980	20.2
194.05215	1.6
195.02866	4.5
197.06076	1.5
203.03433	1.4
205.05002	1.1
211.03996	1.7
215.07040	4.0
218.02193	1.7
219.02925	15.1
221.04388	1.5
226.06180	1.2
229.08412	1.6
237.04013	17.1
239.07013	1.9
241.08655	6.3
242.09109	1.3
243.10214	2.6
248.88448	1.4
254.04189	3.2
255.02942	1.6
255.05116	14.4
259.09778	2.9
267.06830	2.0
275.09262	1.4
285.07834	1.6
299.01892	1.5
343.08191	1.3
365.08688	5.2
384.08563	2.3
399.10696	6.2
429.15555	5.5
471.12894	5.9
494.36728	1.2
515.15692	2.2
516.12573	2.6
543.11493	5.6
551.05505	2.4
567.11255	3.8
585.12421	4.7
603.13489	100.0
604.13867	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	603.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01245	7.0
61.98699	2.7
69.37277	6.3
69.37679	2.6
71.01264	3.8
73.02827	1.7
75.00745	2.1
83.62514	1.4
85.02820	2.6
87.00229	2.2
87.00755	44.5
88.01034	1.3
90.56409	1.1
93.03355	2.8
94.31104	1.1
95.01208	1.3
98.19800	2.4
99.00742	2.0
101.02328	1.4
108.02055	2.2
109.02850	1.6
113.02328	1.7
119.04922	2.9
121.02834	17.2
122.03597	2.2
123.04415	41.5
130.99727	5.7
131.04900	1.4
134.03604	1.6
137.02307	1.7
147.04427	12.2
148.05186	3.8
149.05986	51.0
150.03099	2.3
150.06343	2.8
151.03931	2.3
155.64946	1.2
159.04362	2.7
161.02286	2.7
162.03125	2.7
163.03822	3.6
164.04654	1.4
165.05450	13.4
173.04597	1.6
173.05975	1.6
174.03122	2.0
175.03923	49.7
176.04384	2.6
177.01830	5.2
177.05455	2.4
187.03937	2.9
187.07455	1.6
188.04637	3.3
191.03403	2.0
193.05009	19.3
195.02853	4.5
195.04512	1.1
196.05150	1.5
200.04739	1.1
203.03484	1.3
204.04150	1.8
211.04010	2.0
212.04599	1.4
215.07170	5.8
219.02985	17.2
222.02504	1.3
225.05492	2.1
227.03438	1.4
231.10216	1.3
237.03987	22.6
239.07043	2.4
241.08701	7.5
243.10262	2.2
255.05066	9.4
257.08179	2.7
259.09763	3.8
267.06647	1.4
285.07657	2.6
303.08838	2.2
305.06479	2.7
311.05402	1.5
347.07794	1.8
365.08698	6.7
377.53903	1.3
417.55246	1.4
429.15536	3.8
471.12781	2.2
525.28125	1.3
543.11517	5.9
549.59985	1.3
567.11310	4.1
585.13019	2.1
585.24005	1.5
603.13550	100.0
604.13812	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	603.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63514	1.2
59.01252	6.1
59.68936	1.5
62.27293	1.2
66.09434	1.1
71.01243	4.6
71.54238	1.6
73.02835	1.3
75.00709	1.5
75.93913	1.5
87.00755	56.9
88.01106	1.4
93.03339	3.8
96.34822	1.3
99.00767	2.9
101.02279	1.5
108.02074	1.7
109.02766	1.4
111.04461	1.5
113.02330	2.1
116.65663	1.4
119.04915	2.1
121.02832	16.4
121.06487	1.8
122.03614	2.8
123.00793	1.3
123.04411	42.5
124.04776	2.8
130.99734	8.3
131.04846	1.5
134.03619	2.5
135.04431	1.7
137.02335	4.1
145.02815	3.0
146.03603	2.5
147.04446	11.2
148.05222	3.3
149.02319	2.7
149.05989	41.6
150.03114	4.4
150.06294	1.4
151.03888	2.9
159.04424	2.6
161.02353	2.8
162.03160	2.3
163.03914	4.4
164.04655	2.3
165.05469	12.7
173.05946	1.9
174.03181	3.6
175.03929	61.3
176.04272	2.9
177.01888	6.8
179.03429	1.9
187.03905	3.9
187.07578	1.9
188.04707	4.4
189.01805	2.0
189.05470	2.4
193.05013	19.4
194.05309	2.1
195.02895	6.3
197.05977	1.4
199.07578	2.1
200.04597	2.1
201.05507	2.0
202.06247	1.5
212.04828	1.5
213.09258	2.1
214.06207	1.5
215.07104	5.7
217.01460	1.3
217.08623	2.2
218.02177	2.0
219.02939	14.6
237.04005	23.4
239.07013	2.7
241.08661	5.5
242.09174	1.7
243.06581	1.5
243.10280	1.9
254.04271	3.6
255.05052	16.4
257.08267	1.7
259.09747	3.4
267.06714	2.0
311.05588	1.8
325.10519	1.8
337.10965	1.9
343.75790	1.6
349.09161	2.0
365.08856	3.6
376.34360	1.4
429.15207	4.4
471.12958	8.7
515.15649	1.8
541.13232	2.6
543.11176	7.7
559.13873	1.6
567.11261	4.5
585.12781	5.8
603.13538	100.0
604.13849	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	603.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81899	2.2
59.01231	4.5
65.00221	2.9
67.01743	8.6
69.57844	10.0
69.58266	4.2
71.01259	5.3
85.02834	8.1
87.00741	5.5
91.01765	3.0
91.28856	2.7
92.73226	2.4
93.03336	38.4
93.83694	2.3
108.02070	11.3
108.16817	2.3
109.02842	12.8
111.00743	3.2
111.04395	6.8
122.03629	3.7
123.04409	9.3
127.25187	2.3
137.02335	12.9
146.03619	4.7
147.04413	9.3
155.03387	7.8
159.04422	100.0
159.05742	5.0
160.05252	20.9
161.02336	3.1
161.06000	34.3
163.03932	4.8
173.04459	81.3
173.05997	37.4
174.04857	3.3
175.03952	2.7
187.03918	7.4
191.03618	3.6
191.05536	28.7
199.04012	2.9
203.03455	7.6
204.04105	5.3
213.05585	4.2
217.01370	4.2
219.06549	3.7
238.06465	2.4
239.07104	4.7
241.05014	14.2
242.05714	2.7
251.07222	4.0
253.05145	5.8
253.08487	2.8
254.05725	5.1
256.07385	4.1
263.07190	4.0
266.05804	7.8
267.06570	24.2
269.08145	3.1
278.05872	2.9
279.06604	10.2
280.07364	7.9
281.08182	15.9
282.08997	52.8
283.09357	5.9
295.09763	7.5
297.11298	91.4
298.11679	8.7
307.06192	12.6
308.03723	2.7
308.06842	15.2
321.07568	4.4
323.09265	21.6
324.09671	2.8
341.10251	43.3
342.10629	7.2
349.07306	2.6
367.08279	35.7
368.08209	6.1
385.09314	31.7
393.06177	30.3
394.06497	3.7
411.07028	15.7
429.08151	6.6
545.18085	2.8
585.12531	10.9
603.13409	62.7
604.13898	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	603.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20154	1.3
64.10942	1.5
64.11343	1.3
67.01353	1.4
67.01702	3.9
70.91196	2.0
70.91521	2.5
71.01246	1.5
75.43600	1.5
81.03368	1.5
83.04913	2.0
85.02850	5.0
86.19294	1.4
87.00762	3.3
91.01789	4.4
93.03337	11.7
108.02058	12.2
109.02844	13.2
111.04359	2.8
121.02796	2.1
122.03632	3.3
123.04420	8.2
129.01846	1.7
131.04916	4.1
135.04411	2.2
137.02354	1.9
143.04930	3.5
145.02806	2.8
145.06500	2.1
146.03654	7.5
147.04457	9.1
155.03375	4.3
159.04428	100.0
160.05211	26.6
161.02335	4.0
161.05995	30.4
162.06477	2.0
163.03944	2.5
170.03769	1.3
172.05182	4.6
173.02338	2.4
173.04478	10.9
173.06009	39.0
174.06436	2.4
177.05522	2.3
178.39323	1.4
185.05984	1.7
187.03937	8.5
191.03679	2.0
191.05531	20.8
197.05946	1.4
199.03925	2.4
203.03424	8.9
204.04167	2.5
211.07590	2.5
213.05472	6.5
219.06502	2.0
223.04102	1.7
223.07849	1.7
224.04738	2.7
225.05455	1.9
229.01543	1.9
236.62650	1.4
238.06215	1.8
239.07108	7.7
241.05003	17.8
242.05611	2.1
249.05458	3.2
250.06288	6.1
251.07130	3.2
252.04301	2.4
252.07768	1.6
253.05089	4.2
253.08601	2.8
254.05846	2.6
256.07413	2.5
262.06314	1.9
263.07196	4.6
265.05176	2.1
265.08801	2.3
266.05890	9.4
266.08618	1.4
267.06641	33.4
268.07126	2.8
277.05096	3.3
278.05844	4.0
279.06674	13.8
280.07352	8.3
281.08228	19.5
282.08990	33.5
283.09235	2.5
289.04950	2.2
295.09772	6.0
297.11337	60.0
298.11676	4.9
306.05417	5.2
307.06076	8.6
308.06857	11.1
321.07755	4.3
323.09271	12.6
341.10297	43.3
342.10638	3.9
349.07227	3.6
367.08224	34.8
368.08521	3.3
385.09222	14.6
393.06161	31.4
394.06567	2.6
411.07053	6.4
429.08118	4.1
559.14313	1.8
575.16272	1.7
585.12799	4.3
603.03784	1.8
603.13568	37.2
604.13739	5.4
623.74475	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	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.0
59.01257	2.1
61.98702	1.8
62.99882	1.0
66.32677	1.0
68.32893	0.9
69.03333	1.7
87.00751	8.1
97.06470	14.3
101.02261	1.0
102.04988	1.0
108.02036	1.1
123.08047	7.3
125.09614	100.0
126.09933	3.5
130.99712	2.3
135.04402	1.6
143.10707	1.3
144.21452	1.0
161.02332	1.2
169.08621	4.0
171.10156	2.1
187.09679	73.5
188.10011	2.9
190.32211	1.1
211.13281	2.2
225.11290	1.3
243.12291	2.3
244.33192	0.9
261.13443	11.6
339.15698	2.3
342.07513	2.5
343.08374	2.5
431.22800	24.0
432.23199	2.8
432.94989	1.1
459.44949	1.2
581.27783	1.3
583.30878	1.7
601.32312	72.5
602.32605	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32074	1.3
53.18899	1.0
53.46272	1.1
59.01256	1.4
64.51366	1.1
71.01259	1.5
71.52630	1.1
81.66347	1.3
85.02809	9.3
87.00744	6.1
93.03345	13.7
99.04345	1.1
108.02046	3.1
109.02827	2.3
109.25827	1.1
111.04392	2.8
127.03899	3.5
139.17313	1.2
139.18344	1.2
159.04422	16.7
160.05197	2.2
161.05937	3.9
163.03920	1.6
171.03011	1.5
173.04483	7.8
173.05992	5.0
175.03954	1.3
187.03983	1.5
191.05534	100.0
192.05881	4.2
199.03893	1.3
203.03375	1.6
213.61696	1.2
241.05063	1.9
251.07050	1.8
261.05457	2.5
262.06329	1.5
263.06927	1.8
264.07867	2.2
265.04865	2.3
267.06625	3.6
277.05017	2.6
278.05896	3.2
279.06653	4.9
280.07346	2.9
281.08273	2.7
282.08981	8.3
289.05054	2.8
290.05847	1.6
291.06516	1.5
293.04651	1.7
293.08054	1.8
295.09793	3.4
297.11276	9.4
298.11655	1.3
306.05438	5.2
307.06131	12.9
308.06848	9.7
321.07626	5.9
323.09210	21.5
324.09509	1.9
333.03973	1.3
334.04739	2.2
341.10123	4.0
349.07031	7.9
351.61377	1.3
367.08331	6.1
385.09091	2.0
393.06116	52.6
394.06537	5.9
515.15338	2.4
559.14636	4.2
585.12616	7.4
586.12170	2.1
603.13440	17.4
604.14075	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	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06366	0.4
59.01249	6.1
61.25067	0.4
61.98728	0.8
71.01250	3.5
71.54456	0.5
72.99174	0.7
73.02806	2.1
75.00739	0.5
83.01263	0.7
85.02827	1.5
87.00750	2.4
87.04365	0.3
89.02313	0.9
89.03853	1.2
93.03349	0.7
95.01347	0.5
97.02863	0.4
99.00762	1.4
101.02337	2.4
104.81761	0.4
112.50405	0.3
113.02326	1.9
117.03358	5.1
119.04910	1.3
121.02858	1.0
121.60572	0.3
123.04409	0.9
125.02273	0.4
132.02036	1.7
133.02890	0.7
133.06522	0.4
134.03633	70.8
135.03929	2.6
137.02338	1.8
139.03902	0.5
145.02850	0.9
147.04419	1.6
149.02286	0.8
149.05986	8.1
150.03061	1.1
150.06296	0.7
159.02893	0.5
159.04414	0.5
160.01558	9.0
161.02328	0.8
161.04465	1.1
161.73807	0.4
163.03877	1.7
165.05466	1.6
173.04440	1.3
175.03920	14.7
176.04259	0.9
177.01836	0.5
177.05627	0.4
178.02657	1.8
179.03387	0.4
188.04562	0.5
191.03401	0.4
191.05574	0.7
193.04991	100.0
194.05331	5.9
195.06528	0.5
195.96574	0.3
203.03371	0.4
219.02953	0.9
251.11287	2.0
267.06799	0.6
281.14029	0.4
283.06033	0.5
293.12387	1.1
319.08099	0.5
353.10294	0.4
365.14441	2.0
407.15439	0.4
425.16623	2.4
547.09027	0.5
601.20984	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79866	0.3
55.01754	0.8
57.03319	1.1
58.00470	3.1
59.01250	69.8
60.01579	0.6
69.03329	1.1
71.01252	54.6
72.01590	0.8
72.99177	4.0
73.02817	3.1
75.00769	0.4
83.01258	5.5
84.02074	0.3
85.02823	10.3
86.79216	0.3
86.99967	0.4
87.00750	16.0
89.02315	55.6
90.02663	0.5
95.01266	3.9
95.04885	0.4
97.02841	1.1
99.00730	1.4
101.02322	28.3
102.02661	0.8
111.00752	0.7
113.02331	25.7
114.02632	0.3
115.03861	0.5
117.01793	0.5
119.03388	20.4
120.03719	0.4
122.96784	0.3
125.02362	1.5
127.07519	0.4
129.01842	1.2
131.03404	3.4
136.26105	0.3
141.01849	1.2
143.03400	8.3
147.47552	0.3
149.04503	1.8
159.02872	0.6
161.04462	8.9
179.05533	20.4
180.05934	0.7
225.93686	0.3
249.05992	0.3
259.20706	0.4
273.22238	0.8
275.20300	0.5
277.21710	100.0
278.22070	9.4
291.23315	7.2
292.23550	0.5
301.21628	1.3
319.22784	4.1
320.23074	0.6
323.09811	13.0
324.10287	0.7
341.10876	41.8
342.11276	3.1
391.25229	0.4
414.57880	0.3
601.32361	1.2
602.33130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01254	6.2
61.98697	0.3
63.99907	0.2
69.03313	0.4
71.01258	3.0
72.99183	0.8
73.02812	1.6
75.00717	0.4
82.42422	0.2
83.01265	0.4
85.02826	1.8
87.00755	2.2
89.02318	0.8
89.03840	1.4
93.03360	0.6
95.01272	0.4
96.95921	0.4
97.02817	0.4
99.00742	1.2
101.02322	2.2
106.04142	0.5
108.02078	0.3
109.02840	0.6
111.00777	0.4
113.02314	1.8
117.03346	4.9
118.03669	0.2
119.04903	0.5
121.02855	0.5
123.04388	0.3
125.02318	0.3
132.02080	2.6
133.02878	0.3
134.03635	75.7
135.03966	3.1
137.02321	1.0
139.03929	0.3
139.06372	0.2
143.03502	0.3
145.02870	0.3
147.04416	0.6
149.02330	0.6
149.05995	6.7
150.03123	0.2
150.06255	0.3
152.01028	0.3
153.01912	0.4
159.02930	0.3
159.04417	0.2
160.01572	9.8
161.02039	0.5
161.04449	1.4
163.03920	0.3
164.04677	0.4
165.05515	0.4
173.04471	0.8
175.03928	13.1
176.04295	0.7
178.02628	2.1
191.05565	0.4
193.04996	100.0
194.05334	4.9
203.03555	0.2
207.24484	0.2
219.02892	0.4
223.06007	0.3
224.02901	0.2
237.05670	0.3
251.11363	1.5
263.07080	0.2
265.04953	0.3
283.06339	0.3
293.12418	0.6
309.07690	0.3
335.13293	0.3
339.08359	0.2
343.66919	0.2
350.45618	0.2
365.14642	1.6
383.15500	0.8
398.08774	0.3
407.15469	0.6
425.16577	1.4
559.20337	1.4
601.12482	0.4
601.21344	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	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88054	0.2
59.01252	6.5
61.98680	0.5
63.93622	0.2
65.81643	0.2
69.03334	0.2
71.01251	3.1
71.54461	0.3
71.72019	0.3
72.99180	0.4
73.02816	1.1
83.01271	0.4
85.02831	0.9
87.00758	1.8
89.02317	0.7
89.03839	1.1
93.03343	0.5
95.01262	0.3
99.00756	1.2
101.02332	2.2
106.04095	0.3
108.02042	0.4
109.02862	0.4
113.02328	2.4
116.89352	0.2
117.03345	4.5
119.03394	0.3
119.04932	0.7
121.02844	0.8
122.03579	0.3
123.04414	0.4
125.02325	0.3
132.02061	2.2
133.02905	0.5
134.03633	71.8
135.03932	2.8
137.02367	1.3
145.02849	0.6
147.04430	0.9
148.05116	0.3
149.02364	0.3
149.04842	0.5
149.05991	7.3
150.03127	1.0
152.01073	0.5
153.01848	0.5
155.03429	0.3
160.01569	8.9
161.02179	0.8
161.04474	1.1
163.03908	1.7
164.04442	0.3
165.05461	0.8
173.04500	0.8
174.03224	0.2
175.03925	13.7
176.04352	0.5
178.02661	2.1
188.04509	0.3
189.24245	0.3
191.05540	0.4
193.04999	100.0
194.05342	5.4
195.06537	0.4
203.03502	0.3
219.02905	0.5
225.57445	0.3
251.11414	2.5
265.05167	0.3
281.13998	0.4
283.06387	0.3
293.12378	0.8
300.02710	0.3
335.13550	0.4
361.16559	0.3
365.14560	1.6
383.15613	0.8
395.91559	0.3
407.15442	0.6
425.16754	2.1
601.21185	2.7
602.20825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87547	0.8
59.01255	1.4
71.01244	2.1
71.01627	2.1
81.03323	1.5
83.04916	0.9
85.02828	2.9
87.00750	7.8
89.03857	3.4
93.03342	5.6
95.01265	3.7
105.03297	1.0
108.02054	1.5
109.02819	7.3
109.99991	2.1
111.00761	7.9
111.04395	2.1
117.03326	7.2
119.04912	1.2
123.00768	22.6
123.01662	1.2
123.04410	1.5
124.01579	10.3
133.02824	5.3
134.03636	20.7
135.04347	1.2
136.01534	1.3
137.02345	68.7
138.02667	1.9
143.04958	1.4
145.02818	2.6
146.03645	2.0
147.04381	1.7
148.01596	2.8
149.02284	2.8
149.05995	3.7
150.03160	2.0
151.87405	1.0
155.03400	1.5
159.04420	4.7
160.01572	2.8
161.02354	79.0
162.02896	5.7
163.03911	1.1
164.01056	1.8
165.54321	0.9
171.04362	1.1
172.05197	1.7
173.02272	1.0
173.04501	5.3
173.05894	1.1
174.03154	3.1
175.03909	9.3
176.01080	1.0
176.04369	0.9
177.01843	28.0
178.02449	1.6
186.03113	4.4
187.03938	8.2
188.04465	1.2
189.01857	48.7
190.02600	15.9
191.05577	13.9
193.04997	19.9
194.05379	1.5
199.03911	1.8
200.04712	10.7
201.01949	1.2
201.05475	3.4
202.02626	2.2
203.03438	16.1
207.02971	2.3
209.06007	1.3
213.01840	2.7
214.02699	1.1
215.03427	3.4
215.07011	10.0
216.04085	1.6
216.07587	1.0
222.01550	1.5
225.05627	2.1
226.06288	1.5
231.02969	16.5
233.00854	35.0
234.01274	3.0
237.05615	2.4
238.06250	2.0
239.07086	1.7
245.04411	1.4
249.05385	1.6
250.06216	0.9
251.07141	4.0
252.07770	2.9
253.05025	7.2
254.05765	1.5
262.06281	1.6
264.07196	1.0
267.06705	2.0
269.08109	1.3
275.01987	11.1
277.05026	1.8
277.08423	0.9
278.05795	1.5
279.06628	6.0
280.07297	7.0
281.04483	2.1
283.09872	1.1
295.06061	3.0
295.09393	1.6
296.06921	8.1
297.07458	1.0
305.04724	1.5
306.05283	5.4
307.06079	6.1
308.06714	1.1
309.04172	3.0
309.07559	1.0
310.08566	0.9
311.09244	7.4
321.07556	4.6
322.04807	2.0
323.05594	16.9
324.06369	59.9
325.06601	5.6
337.07159	19.2
338.07932	11.2
339.08707	100.0
340.09122	11.9
350.04379	1.2
365.06781	1.3
367.10434	9.0
371.07706	7.6
372.08032	1.1
383.07706	38.0
384.07925	4.0
409.05646	3.1
427.06668	44.8
428.07120	7.4
495.13004	1.0
557.12909	3.9
601.11810	13.6
602.12732	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	601.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20283	3.1
59.01234	8.3
67.01759	3.3
70.46908	3.1
71.01253	5.8
71.52818	4.7
75.44241	3.2
76.77757	2.6
85.02833	9.7
87.00758	11.8
89.03831	6.0
93.03352	11.6
101.85329	3.2
109.02832	11.7
111.00774	8.3
111.04399	3.0
117.03352	7.4
119.04897	3.0
123.00759	22.5
123.46564	3.7
124.01534	11.1
133.02872	3.8
134.03641	10.1
137.02345	56.6
144.71178	3.2
149.02347	4.8
149.06036	4.0
153.01830	11.6
159.04367	3.6
160.01610	9.0
161.02350	88.1
162.02728	4.7
163.03989	3.6
171.04564	4.4
173.04532	6.2
175.03923	13.2
177.01881	33.2
186.03174	3.4
187.03969	6.4
189.01855	72.7
190.02571	10.5
191.05528	62.4
191.07143	5.2
193.05014	11.1
200.04741	12.0
201.05457	3.7
203.03358	6.3
215.07030	7.2
225.05447	4.1
231.02893	29.4
232.03360	3.5
233.00874	53.8
234.01378	4.2
238.67033	3.2
253.05020	5.6
254.05594	3.5
267.06711	4.2
275.01978	13.3
276.23428	3.4
279.06586	6.3
280.07465	5.5
281.04553	3.6
291.92636	2.9
295.06067	4.1
296.06778	4.4
306.05347	8.9
311.09131	6.2
321.07651	4.1
323.05600	8.0
324.06360	29.3
325.06796	3.8
329.37167	4.0
337.07187	24.8
338.08044	14.7
339.08704	95.3
339.12683	6.1
340.09100	11.4
353.06781	4.4
365.06607	4.7
367.10764	7.1
371.07748	7.9
383.07736	24.5
409.05725	7.4
427.06665	100.0
428.06958	10.9
554.28302	3.3
557.12848	15.8
558.13342	4.1
601.11841	43.0
601.20587	6.5
602.12250	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	599.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76961	0.2
55.01753	0.3
59.01252	1.8
61.98707	0.3
69.03320	0.4
71.01251	3.5
71.04900	0.5
72.99184	0.6
73.02824	1.2
75.00757	0.4
83.01242	0.5
85.02812	2.1
87.00746	1.6
89.02328	0.5
89.03854	1.1
93.03324	0.4
95.01259	0.4
97.02839	0.3
99.00762	1.3
101.02320	2.0
106.04125	0.3
108.02108	0.3
109.02802	0.3
111.00830	0.3
113.02331	2.5
117.03348	3.9
119.04929	0.2
121.02885	0.3
123.04452	0.2
125.02321	0.4
132.02097	1.5
133.02861	0.2
134.03630	59.0
135.03955	2.8
137.02397	0.9
139.03960	0.3
143.03400	0.6
147.04416	0.3
147.06541	0.3
149.02423	0.2
149.05986	6.0
150.03123	0.2
150.06287	0.5
152.01164	0.2
159.02911	0.4
160.01567	5.6
161.01955	0.3
161.04457	1.8
163.03903	0.6
175.03925	9.1
176.04262	0.5
178.02617	2.6
179.03116	0.3
181.05006	0.2
184.77214	0.2
193.04990	100.0
194.05315	5.4
219.02919	0.2
291.10504	0.2
405.13947	1.8
406.14282	0.3
409.83676	0.2
419.66245	0.2
423.15024	1.8
599.19653	4.1
600.20013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01625	16.3
59.01248	100.0
61.98708	34.3
65.26027	15.8
67.37135	15.0
71.01250	17.0
71.53391	24.1
84.05715	14.0
109.06043	14.8
142.78366	14.0
171.10165	91.5
208.86063	13.8
209.11746	67.4
223.13347	39.5
289.18192	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98314	0.5
55.01749	0.9
57.03312	1.9
59.00996	0.7
59.01253	8.1
62.74298	0.5
67.01752	0.9
69.03326	1.4
71.01255	13.1
72.99187	3.8
73.02824	5.7
75.00751	10.1
81.03323	2.0
83.01256	4.4
83.04906	4.4
84.17919	0.6
85.02821	16.1
87.00753	6.1
89.02321	3.3
93.03339	19.0
94.03685	1.0
95.01275	3.8
97.02809	0.9
99.00764	11.0
99.04398	2.0
101.02302	1.9
103.00243	1.9
108.02006	0.8
109.02852	3.0
111.00758	2.1
111.04404	18.4
112.04694	0.6
112.71400	0.5
113.02338	18.2
115.00245	1.4
117.01814	1.9
117.03345	2.3
117.46265	0.5
121.02785	0.6
127.03899	1.4
129.01814	1.9
131.03371	1.1
132.02019	0.6
133.02820	2.1
134.03636	26.6
135.03996	0.9
137.02359	8.3
143.03383	1.0
145.01283	0.6
149.05997	3.2
155.03426	4.7
157.01395	0.8
160.01595	5.4
161.02321	1.4
173.04478	13.3
173.05972	0.7
175.02402	1.9
175.03909	7.4
177.01912	0.9
179.03352	1.1
193.03432	2.2
193.04988	20.4
194.05359	1.4
229.75932	0.6
231.04944	1.4
243.44650	0.6
249.06067	10.3
250.06564	0.6
267.07083	13.2
276.06503	0.8
291.08841	0.7
317.07486	0.6
366.09604	0.7
381.11841	2.1
405.10406	2.0
423.11462	27.3
424.11823	2.3
425.10706	3.3
443.06116	1.1
443.11905	10.1
444.12006	0.9
458.94562	0.6
581.14899	1.5
582.15710	0.6
599.16180	100.0
600.16553	18.5
600.25879	1.2
612.22125	0.5
624.80487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01712	0.2
59.01249	1.2
71.01254	3.7
71.04897	0.3
72.99196	0.5
73.02811	1.2
83.01265	0.6
85.02828	1.9
87.00757	1.1
89.02318	0.5
89.03830	1.2
93.03337	0.3
95.01300	0.3
97.02853	0.5
99.00756	1.1
100.40438	0.2
101.02328	1.7
106.04134	0.3
109.02844	0.2
113.02329	3.0
117.03358	4.5
117.04187	0.2
119.04889	0.3
125.02319	0.4
132.02058	1.7
133.02859	0.2
134.03635	60.0
135.03969	2.9
137.02351	1.8
139.03897	0.2
143.03403	0.5
145.04974	0.2
147.04440	0.5
147.06537	0.2
148.05183	0.2
149.05991	6.5
150.06320	0.3
160.01573	6.4
161.01930	0.2
161.04453	1.6
175.03932	10.2
176.04233	0.7
178.02618	2.5
190.84953	0.2
193.04997	100.0
194.05330	6.1
219.02875	0.4
237.03915	0.2
333.11890	0.7
368.29303	0.2
405.14014	2.0
423.15076	2.1
509.13571	0.3
537.13385	0.3
539.10803	0.4
563.11224	0.6
599.20630	3.0
600.19940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94016	1.4
57.03308	3.3
58.00465	2.8
59.01254	62.0
61.98686	1.9
70.09569	3.2
70.09982	4.3
71.01255	29.8
72.02034	2.9
72.99158	2.5
81.03355	1.3
85.02840	7.4
87.00758	6.5
89.02312	22.8
95.01231	2.0
101.02337	14.8
101.05965	2.0
113.02336	11.3
119.03373	9.9
124.05125	1.6
125.02372	1.5
141.31757	1.4
179.05571	3.3
259.20691	3.0
261.22226	38.4
262.22522	2.5
287.20032	2.9
303.23181	7.2
305.21201	26.8
306.21536	3.8
329.21182	5.5
331.19058	12.3
345.20749	2.7
347.22263	100.0
348.22687	13.0
349.20148	18.2
350.20319	3.2
373.20193	8.0
391.21283	73.1
392.21646	11.0
433.22333	7.4
464.77661	1.7
476.06085	1.6
477.06924	2.3
507.12302	2.4
511.25415	9.1
537.08777	3.3
553.26599	31.5
554.26758	5.0
579.10663	2.7
597.11560	10.5
598.11194	2.0
600.92969	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	597.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	11.0
57.03281	2.1
59.01249	15.3
61.98706	5.3
67.01689	0.5
69.00247	0.6
69.03289	0.6
71.01256	16.4
72.99123	2.5
73.02819	4.0
75.00744	13.1
83.01244	3.1
85.02820	7.9
87.00756	8.9
89.02316	4.7
93.03293	1.6
95.01212	2.1
96.95885	0.9
97.02797	0.9
99.00748	2.8
101.01713	0.8
101.02321	10.3
107.04911	0.6
107.76927	0.5
108.02011	2.3
109.02858	3.4
111.00694	2.1
113.02319	5.4
117.03230	0.7
119.03367	0.9
119.04901	3.7
121.02789	1.9
122.03529	0.7
123.00681	0.5
123.04404	1.3
124.01485	0.7
125.02262	1.7
127.11154	0.6
129.01837	5.3
130.99693	1.1
131.64478	0.6
132.02051	0.7
133.02817	0.7
134.03642	6.7
135.04352	1.8
137.02307	3.1
139.03839	1.0
145.02786	2.2
147.02910	4.5
147.04355	2.2
148.05118	1.2
149.02275	2.4
149.05983	2.7
150.02907	0.8
151.00276	0.8
151.03900	0.7
152.00935	2.3
153.01793	2.2
155.14238	0.5
159.04305	0.8
160.01474	1.8
161.02284	1.2
163.03909	3.9
164.04333	0.6
165.01767	1.9
165.03885	2.1
165.05304	1.0
172.05193	0.5
173.04361	0.9
174.17735	0.6
175.03908	3.1
176.00829	0.6
177.01717	1.5
179.03305	0.7
184.03964	1.0
187.03909	1.3
191.03461	1.4
191.05441	1.2
193.04988	7.7
194.05156	0.7
205.01305	0.6
241.04893	0.8
249.06203	0.8
267.07047	1.5
269.21198	2.2
271.02484	0.7
272.02722	0.7
276.48203	0.6
285.20779	0.7
287.22256	35.6
288.22598	2.9
299.05499	0.7
301.03018	0.8
301.23340	0.6
302.03247	1.1
313.07098	2.1
327.05130	0.9
328.05478	1.2
329.05447	0.6
343.08258	2.0
353.32721	0.7
431.26639	6.5
432.27066	0.7
433.11569	1.2
449.27548	100.0
450.27914	11.4
451.10080	0.6
465.11166	0.8
509.13754	2.2
535.12317	0.7
537.06201	0.6
597.12280	2.0
597.31372	61.5
598.23407	0.8
598.31891	9.1
626.68274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12396	2.5
55.95070	3.3
59.01249	15.1
59.22716	2.5
59.50164	2.6
61.98705	13.3
71.01253	5.0
75.00764	4.1
83.01280	3.1
85.02827	11.9
87.00749	7.0
93.03330	3.3
99.00755	4.3
101.02333	4.4
105.03331	3.4
106.55542	2.8
108.02000	4.1
109.02818	6.5
111.00770	4.8
113.02338	5.1
117.03348	5.4
119.04926	12.0
121.02847	10.0
122.03648	5.1
122.66219	2.8
123.04432	5.8
128.01036	13.2
129.01810	5.3
131.04860	2.8
133.02864	3.9
134.03647	24.7
137.02367	33.4
139.03873	8.4
145.02864	12.3
146.03595	5.9
147.04424	77.1
148.05263	30.7
149.05997	100.0
149.07193	5.3
150.03137	6.5
150.06349	5.8
151.03931	5.0
153.01816	3.4
160.01540	8.1
163.03915	9.4
165.05524	4.8
173.04504	3.5
173.05917	4.5
174.03101	3.7
175.03947	26.8
187.03958	3.3
188.04649	3.8
191.03357	9.8
192.04170	20.2
193.04990	82.8
201.05531	4.6
203.07076	6.3
212.04810	6.7
213.09229	3.8
217.01349	11.0
218.02051	5.0
218.09306	3.0
219.02919	67.0
223.07767	3.4
225.05447	6.5
231.06482	4.0
235.02596	3.2
236.03189	6.9
237.04030	19.3
239.07050	5.0
241.08623	24.0
243.10236	12.1
257.05536	2.9
257.08170	12.4
267.06686	3.6
269.08038	5.3
273.11243	4.1
285.07632	4.9
311.05737	4.0
361.09283	7.1
385.22784	3.0
435.14554	4.8
438.09610	7.9
459.31528	3.6
461.12177	16.5
462.12430	3.7
469.11343	6.7
470.12076	8.9
479.13040	3.3
505.11478	19.7
506.11694	3.9
531.09265	9.3
549.10669	5.0
562.13245	3.8
567.11664	7.8
581.12579	6.5
599.13843	6.8
599.22986	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	597.3048
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.95832	0.6
59.01251	1.0
60.74884	0.7
69.12415	0.7
78.95779	67.5
80.96396	0.9
87.00741	1.8
96.96848	12.4
99.49467	0.6
102.09984	0.6
150.98000	1.6
152.99496	100.0
153.99860	1.0
171.00546	3.3
223.00079	11.3
241.01152	28.8
252.79837	0.7
259.02301	1.6
281.24857	71.0
282.25284	7.1
315.04883	18.6
316.05237	1.2
333.05930	1.8
355.07077	1.0
597.30469	94.5
598.30774	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	597.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99221	0.4
59.01255	5.2
61.98714	0.7
63.77655	0.4
69.39547	2.6
69.39965	0.7
70.26911	0.3
71.01260	2.4
71.70856	0.3
73.02819	1.7
76.93748	0.3
85.02836	1.0
87.00756	2.4
89.02325	1.7
89.03841	1.4
95.78838	0.4
99.00756	4.5
101.02320	1.2
104.65680	0.4
108.92738	0.4
113.02330	1.3
117.03343	4.8
119.03403	0.3
120.20141	0.3
121.02899	0.4
122.03590	0.5
132.02068	2.8
134.03633	75.2
135.03946	3.0
135.06630	0.4
137.02306	0.8
147.04436	0.7
149.02441	0.5
149.04630	0.6
149.05981	8.5
150.03140	2.6
160.01590	9.7
161.01987	0.5
165.04208	0.6
165.05452	3.2
165.53265	0.4
175.03928	11.2
178.02664	0.7
181.05011	0.5
186.99303	0.4
191.03531	0.6
191.05458	0.7
193.04996	100.0
194.05333	5.7
195.06583	1.3
201.51183	0.4
273.03021	0.4
276.43005	0.4
313.07114	0.4
337.07101	0.5
361.15140	0.5
371.11475	0.7
383.11301	1.0
421.17090	0.7
449.64392	0.5
507.11667	0.6
535.11334	1.0
537.09467	0.6
557.03381	0.4
579.23651	0.6
597.11688	2.5
597.21912	2.4
598.21667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72889	0.6
59.01240	2.2
60.57229	0.5
70.73015	1.4
71.01243	2.6
75.00742	0.8
79.05399	0.7
80.07931	0.6
83.01296	0.6
85.02831	0.9
87.00740	1.0
87.14055	0.6
89.02300	1.2
93.03326	0.9
107.04933	0.6
108.02055	5.2
109.02835	5.1
119.04926	1.6
121.02850	3.1
122.03654	6.8
123.04412	17.5
124.01540	0.7
125.02343	1.4
134.03664	0.9
135.04411	14.2
136.05197	3.1
137.02353	3.1
137.05943	3.2
145.02885	0.8
147.04417	2.0
148.01570	6.4
149.02348	5.2
149.05966	1.2
150.03122	5.3
151.00317	0.6
151.03920	11.9
152.01033	4.1
153.01820	1.4
153.05591	0.7
154.02708	0.7
161.02345	8.1
162.03134	18.6
163.03909	19.2
164.04570	2.0
165.01816	2.0
165.05487	3.7
166.02600	0.9
167.03442	3.1
174.03188	1.3
175.03917	3.5
176.04605	0.8
177.05440	1.4
178.02586	2.0
179.03391	3.7
181.04962	2.7
187.03873	0.7
189.01888	6.0
190.02638	19.6
191.03416	18.7
191.05246	0.7
192.03972	1.9
193.04945	4.9
194.02095	0.8
202.02621	1.7
203.03479	3.3
204.04175	1.3
205.04935	0.9
207.02950	1.4
208.03644	1.1
209.04463	10.0
210.05098	0.7
219.02719	0.6
220.03722	12.0
221.04472	10.5
232.03682	0.9
233.04503	0.9
239.05550	2.1
255.02982	1.2
256.07382	1.4
271.02420	1.1
271.09650	1.5
272.02771	0.6
273.11194	1.4
285.07803	0.7
285.11304	1.0
299.09238	2.1
301.03079	1.3
301.10846	1.2
302.03351	1.0
303.08563	1.0
311.09280	1.0
312.06305	0.9
313.10641	0.7
315.08563	1.2
327.08719	9.5
328.09195	0.9
329.10284	2.2
345.09756	100.0
346.10114	12.4
357.09775	4.1
369.09604	0.7
375.10828	46.8
376.11185	5.0
387.10425	2.8
401.12411	1.0
411.10645	1.0
429.11920	7.4
430.11868	0.9
443.12286	0.7
444.55185	0.7
447.12149	0.9
477.13806	1.3
515.96326	0.7
579.16614	1.4
580.18225	0.8
597.17236	11.5
598.17365	2.0
608.88867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33149	2.5
57.23600	2.4
69.44703	20.5
71.01247	4.4
83.01260	4.4
87.00750	31.7
90.29691	2.9
93.03320	6.3
99.00773	5.1
100.01568	3.4
101.02344	6.2
111.00758	41.4
121.02831	5.7
122.03649	13.0
123.04405	4.1
125.02312	5.0
127.03719	2.6
141.30994	2.7
149.02344	25.5
150.03140	86.6
151.03792	11.9
153.05554	4.3
161.02342	5.7
164.04718	12.3
165.05489	100.0
166.02672	3.1
166.05855	4.9
173.87630	3.0
176.04672	3.9
176.64156	2.6
179.03419	6.3
179.07091	12.6
180.04230	8.0
180.39494	3.0
181.04993	5.8
194.05780	9.9
195.06554	27.8
205.04892	3.2
206.05542	2.5
207.02975	2.5
209.08151	7.9
220.03687	3.4
247.06117	3.9
249.03838	4.2
249.07608	5.6
264.06418	15.6
265.07016	11.1
277.06982	2.9
285.04102	3.6
337.09161	8.6
413.12424	4.5
461.14514	51.7
462.14798	9.6
521.16718	4.6
579.17334	6.9
597.18292	66.6
598.18591	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.5
60.79766	1.2
68.51762	1.2
69.03333	1.1
69.46055	4.3
69.46480	4.1
71.01257	9.5
72.42527	1.2
73.02824	4.4
75.00742	2.8
83.01253	1.6
85.02816	5.4
87.00748	12.2
93.03349	3.6
95.01264	1.8
97.02853	1.6
99.00786	2.6
100.01537	2.9
101.02354	2.9
108.02048	2.3
109.02846	1.9
111.00774	10.6
112.98645	5.2
121.02828	5.4
122.03635	11.1
123.00775	6.1
123.04437	2.8
124.01603	1.4
125.02367	1.1
127.03874	1.2
133.02831	2.7
134.03627	1.3
135.04463	3.0
136.01517	1.1
137.02403	1.6
142.99741	2.3
147.04420	1.2
149.02336	19.4
150.03133	85.8
151.03848	7.4
152.01035	3.0
153.01830	2.1
155.59044	1.3
161.02344	3.8
162.03133	2.2
163.03932	3.1
164.04680	10.2
165.05487	100.0
166.02631	4.3
166.05902	3.7
173.00845	6.7
173.04492	3.6
174.01610	5.9
176.04720	2.1
177.01910	1.6
178.06268	2.1
179.03421	4.1
179.07080	5.0
180.04214	9.0
181.04962	6.4
189.05443	1.6
191.03441	4.0
191.05508	3.9
191.07063	2.0
192.04286	1.2
193.05061	2.4
193.08582	2.8
194.05739	4.8
195.06566	52.7
196.06889	2.4
203.03461	2.5
205.05026	2.6
206.05740	3.2
209.08189	5.3
215.03690	1.1
219.02986	1.8
220.03691	2.0
221.08157	4.5
234.05180	2.2
247.02466	3.8
249.07690	2.9
261.04022	2.9
262.04831	4.8
263.05692	1.3
264.06421	3.5
265.07175	5.9
276.06412	2.3
277.07230	12.0
291.08813	1.5
322.06754	1.2
337.09290	31.4
338.09534	2.1
345.09760	1.8
361.54300	1.1
400.10110	1.2
418.39008	1.3
423.13132	3.5
461.14551	25.7
462.14841	3.5
473.14777	3.2
491.15643	1.2
521.16663	2.7
533.16455	3.5
568.73975	1.3
579.16711	8.2
580.17816	1.9
597.18329	66.3
598.18597	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66213	0.9
52.68154	1.0
57.40629	1.3
59.01234	1.9
69.03309	1.2
70.87122	0.9
71.01250	8.8
72.99191	1.3
73.02811	5.4
81.03342	1.4
83.01264	2.5
85.02839	3.2
87.00749	28.0
93.03349	3.5
97.02814	1.8
99.00753	3.9
100.01541	4.3
101.02340	3.1
106.54379	0.9
108.02080	3.1
109.02852	3.7
111.00764	18.5
112.98711	5.4
120.67072	1.0
121.02844	5.7
122.03629	12.5
123.00782	7.0
123.04390	1.9
125.02324	1.6
127.03923	1.3
128.37303	1.0
129.61240	0.9
130.02643	1.3
130.62372	1.0
133.02797	1.7
134.03561	1.1
135.04414	2.4
137.02330	2.0
138.03058	1.8
142.99731	3.6
149.02348	27.8
150.03133	83.9
151.00264	2.1
151.03949	6.7
152.01065	2.7
153.01799	2.0
160.05112	1.1
161.02380	4.9
162.03130	1.8
163.03937	5.5
164.04745	10.6
165.05492	100.0
166.02634	4.8
166.05827	3.9
167.03436	1.6
173.00929	6.4
173.02280	1.8
174.01634	3.8
174.03053	1.4
175.03938	3.5
175.07529	1.2
176.04753	5.1
177.01805	1.9
177.05421	1.7
178.06267	3.2
179.03464	6.4
179.07062	8.8
180.04204	7.6
181.05002	7.8
189.05516	1.1
190.02635	2.2
191.03448	7.8
191.07072	4.5
192.04218	1.4
193.08653	2.7
194.05753	8.0
195.06555	40.2
196.06932	1.7
203.03409	2.4
203.07133	1.6
205.04974	3.4
206.05763	3.4
207.06564	2.0
209.08154	6.7
218.02141	1.2
219.03026	2.4
219.06569	1.9
220.03825	1.1
221.04485	1.2
221.08099	4.8
231.02971	1.7
233.04457	1.2
234.05249	2.2
235.06099	1.9
246.05286	1.2
247.02481	3.8
247.06241	1.5
249.04059	2.8
249.07669	3.4
261.03952	4.1
262.04822	7.8
264.06311	5.8
265.07343	4.8
276.06348	4.3
277.07150	12.9
277.33344	0.9
291.08704	1.1
322.07025	1.5
325.09637	1.2
326.11749	1.1
337.09250	26.1
338.09698	1.9
354.11209	1.7
369.13565	6.6
413.12448	3.8
435.09210	2.4
443.13577	3.3
461.14536	25.6
461.20599	1.7
462.15018	3.4
473.14594	2.2
485.14615	1.5
491.15881	2.2
521.16699	2.1
531.15186	1.4
533.16675	6.2
579.17102	9.7
580.17419	2.4
597.18298	56.7
598.18469	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	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05490	0.5
56.95709	0.7
59.01250	2.2
64.32812	0.7
65.00185	0.6
65.97617	0.6
69.03341	0.7
71.01263	3.1
71.40264	1.2
72.99178	1.5
73.02833	0.9
75.00761	1.0
85.02832	2.8
85.79816	0.5
87.00742	1.1
87.82994	0.5
88.89143	0.6
89.02348	0.7
91.01781	4.4
95.01271	2.2
97.02879	0.6
99.00776	1.5
101.02280	1.3
108.02056	54.6
109.02870	17.2
110.03165	1.0
111.00753	1.1
113.02334	1.5
119.04916	0.7
121.02853	4.9
123.00756	1.2
123.04411	12.2
123.32312	0.5
124.04823	0.6
125.02308	1.0
135.04395	1.1
137.02319	1.1
138.74544	0.5
147.04440	0.6
150.03087	0.7
151.03893	1.2
152.01062	100.0
153.01862	22.3
154.02213	0.8
163.03937	4.4
163.05124	0.9
167.03415	20.7
168.03827	1.0
173.04515	1.5
175.03922	1.1
177.01952	0.7
179.03387	1.3
181.04988	0.6
183.93515	0.6
191.05577	1.2
193.04947	0.9
207.02936	1.2
209.04494	2.3
301.03278	1.0
315.07120	2.0
328.65845	0.6
429.10339	17.5
430.10690	2.1
447.11511	9.4
494.70557	0.7
597.14587	72.3
598.14917	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	597.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67247	0.9
59.01252	6.9
61.98695	2.0
65.00206	1.2
69.03329	1.0
71.01261	3.2
71.53276	1.1
72.99179	0.9
73.02830	1.2
75.00762	1.6
83.01225	1.0
85.02822	2.9
87.00752	100.0
88.01099	1.8
89.02286	1.0
93.03344	2.9
99.00777	1.4
101.02332	1.4
105.03292	1.0
107.04942	1.6
108.02058	1.1
108.25886	0.8
109.02840	2.5
109.90422	1.0
111.00793	1.3
113.02357	1.3
118.95078	0.9
119.04910	2.3
121.02876	4.5
122.03632	2.3
123.04411	27.2
130.99762	45.3
131.04936	2.9
133.01295	1.1
133.06499	2.7
134.03644	3.5
135.02910	1.3
135.04398	2.8
136.98726	1.9
137.02344	3.1
139.03926	1.0
145.02852	3.4
147.04430	8.6
148.05206	1.2
149.02382	3.4
149.05972	14.3
150.03122	1.9
151.00261	1.4
151.03909	1.2
159.04422	2.2
160.01544	1.3
161.02405	1.7
161.99472	1.7
163.03896	4.5
164.04643	1.2
165.05458	10.4
166.05864	1.0
167.03409	1.2
173.02364	1.5
173.04547	1.6
173.05988	1.2
174.03181	1.0
175.00252	1.2
175.03937	8.7
177.01938	1.2
177.05423	1.2
178.86543	0.9
187.03967	1.0
187.79778	0.9
189.01808	1.5
190.02628	2.2
191.03322	2.0
193.04916	10.6
195.02917	2.9
198.03120	0.9
201.01938	1.0
203.03358	1.5
205.01425	1.5
205.04971	2.3
206.05373	1.5
211.04031	1.4
213.01855	2.7
217.01360	2.9
219.02942	3.4
225.01930	2.4
226.02600	1.1
227.03522	1.3
229.76926	1.1
230.02280	1.2
237.03996	1.5
241.01398	3.1
241.05055	1.0
242.02075	1.4
243.02843	1.7
253.03560	5.8
254.01659	2.0
254.04298	38.4
255.02899	3.1
255.05055	26.4
256.03424	1.8
256.05695	1.6
257.00818	1.2
257.04547	1.1
269.00967	5.8
270.01682	2.4
270.05200	0.9
271.02463	2.5
271.05463	1.0
272.03088	1.5
283.02496	1.4
284.03363	3.6
285.00369	2.8
285.04034	2.7
286.04901	1.4
297.00482	7.0
299.01959	7.5
299.05499	3.9
300.02731	6.0
301.03430	3.0
312.02762	4.6
312.99939	4.5
313.03552	14.8
314.04111	3.3
314.07953	3.0
315.04962	6.5
318.03690	1.7
327.01450	12.7
327.05026	2.4
328.02194	10.1
328.05865	4.1
329.02939	8.3
329.06665	3.8
341.03201	1.2
342.03683	3.9
342.07495	11.0
343.04532	10.6
343.08221	11.7
344.05194	3.5
345.05331	1.5
357.06119	26.6
358.06912	41.6
359.07578	12.0
360.07956	1.7
449.27191	1.7
461.08893	1.2
465.11844	1.8
507.13147	3.8
535.12427	7.2
537.10474	16.8
538.10687	2.0
561.10297	19.0
562.10944	2.6
579.11481	10.6
580.11920	2.0
596.27893	3.4
597.12555	63.2
597.28357	3.5
598.13043	10.8
618.31696	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	597.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.8
71.01248	3.0
71.41428	2.4
74.87360	1.4
75.00726	3.3
85.02824	2.9
87.00746	25.2
99.00786	1.9
113.02308	1.6
119.04900	2.1
123.04414	1.8
130.99770	3.7
134.03636	3.5
135.04387	2.4
137.02345	2.1
138.04192	1.2
140.74933	1.3
142.31750	1.3
145.02893	2.3
147.04396	2.8
147.20854	1.1
149.02330	3.0
149.05981	2.6
159.04401	1.4
163.00256	1.6
163.03891	3.6
165.05435	2.5
173.04491	1.4
174.03050	1.4
175.03848	3.1
177.05359	1.2
191.03476	1.5
193.05002	4.6
198.03186	2.4
198.24231	1.4
199.03828	3.1
201.05466	1.2
227.03490	9.6
227.06987	2.0
228.04080	2.4
242.02116	2.1
243.02933	4.4
253.05104	1.4
255.02940	1.6
255.06706	2.5
268.03763	1.6
271.02344	1.6
273.04337	1.3
312.02646	1.7
313.03479	2.0
331.05814	1.6
332.06726	1.6
333.03992	2.1
342.07535	2.3
343.08441	1.6
347.05640	2.0
348.06079	2.0
361.03455	1.7
374.04086	2.1
375.04910	2.8
377.02917	2.0
391.04053	2.1
392.05209	3.1
398.70737	1.6
402.03784	3.1
403.04440	3.3
405.02490	3.3
407.07736	5.2
411.04788	2.2
413.10742	2.3
415.08148	4.4
417.06064	5.1
420.05051	2.7
432.08420	3.8
433.09503	3.2
435.07242	26.0
436.07571	3.5
443.07587	3.6
447.10574	2.7
449.08743	8.1
450.09628	23.3
451.09906	4.5
451.18048	1.7
458.10120	4.9
459.10837	2.9
461.08786	6.8
465.11884	29.2
466.12384	2.9
473.12369	6.5
475.10321	2.1
487.06635	2.3
491.13876	8.8
493.11380	10.8
494.11996	1.8
507.12891	37.7
508.13333	8.1
509.14316	1.9
517.11127	4.9
519.08844	1.6
521.10297	1.5
535.12482	28.4
536.12665	4.3
537.10382	39.8
538.10797	5.8
553.13586	1.8
561.10394	75.5
562.10834	14.6
579.11340	4.9
580.12372	1.6
597.12506	100.0
597.22095	3.4
597.34644	3.8
598.12622	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
62.92835	0.6
64.30016	0.6
67.46627	0.6
71.02473	1.2
78.95776	70.3
82.03386	0.6
82.64860	0.6
87.00813	0.6
95.07449	0.6
96.96843	12.7
150.97897	1.2
152.99493	100.0
153.99835	1.7
155.19537	0.6
171.00587	2.7
197.88902	0.7
223.00081	11.3
224.00349	0.8
241.01160	22.8
259.02228	1.4
261.22308	0.6
279.23300	65.3
280.23578	6.7
300.02451	0.8
315.04886	18.3
316.05209	1.0
333.05991	1.6
595.28888	88.8
596.29211	16.5
623.81390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48893	0.5
54.18480	0.5
59.01224	0.6
70.04788	2.4
78.95779	72.6
87.00756	4.0
89.16171	0.5
96.96848	17.5
135.13237	0.5
150.97942	1.1
152.99495	71.7
153.99838	0.6
163.58226	0.5
171.00586	0.6
181.12308	1.0
207.10199	1.0
209.11714	0.8
223.00049	2.0
225.11386	0.9
241.01169	36.8
242.01593	1.0
255.02927	0.9
259.02246	0.9
261.22501	0.6
271.02502	4.0
279.23300	71.9
280.23639	7.8
295.22708	0.8
300.02814	4.8
315.04837	9.9
317.16272	0.7
331.79773	0.5
333.06012	0.7
415.22430	6.6
416.23059	1.1
433.05859	0.9
463.10434	0.9
495.09448	0.6
505.11407	1.0
520.95929	0.5
533.10773	1.9
595.12231	6.8
595.28912	100.0
596.13464	1.0
596.29248	15.9
596.38623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1252
Annotation	Yunnaneic acid F
Peak:m/z	Relative Intensity
56.19232	0.8
59.01250	2.1
69.53519	0.8
71.01246	1.3
73.02807	0.9
75.00735	3.6
87.00748	18.4
88.01107	1.0
93.03345	1.0
98.19769	1.4
99.00704	0.7
109.02805	0.9
110.69426	0.8
111.00706	1.1
111.34607	0.8
119.04935	1.3
121.02847	1.8
122.03551	0.7
123.04397	1.1
130.99721	2.2
134.03651	2.0
135.04422	3.5
137.02277	1.0
147.04462	1.7
149.02371	1.2
149.06039	1.1
150.03123	1.0
150.81517	0.9
159.04430	1.1
161.02357	3.0
163.00250	1.9
163.03899	1.5
164.01056	1.1
171.04413	1.7
175.03909	2.7
183.04541	1.0
187.03955	1.2
189.01907	1.0
190.34441	0.8
193.01279	0.8
193.04958	2.6
198.03214	1.7
199.03918	3.2
199.07452	0.8
201.01883	0.9
211.03879	1.1
212.04753	1.0
213.01891	1.5
214.02654	1.6
215.03445	1.6
225.05493	2.2
226.02649	1.2
227.03448	13.5
227.07004	1.6
228.04070	2.7
229.04941	1.4
239.03406	1.3
240.04341	1.6
241.05113	1.6
242.02167	2.0
243.02962	8.1
244.03558	2.5
245.04448	1.8
252.04312	1.6
253.01431	1.3
253.05046	1.7
254.01822	1.0
255.02887	3.7
255.06557	3.1
256.03610	2.8
257.04321	1.0
267.03098	1.7
267.06735	1.2
269.00986	0.9
269.04599	1.5
270.05261	1.4
271.02402	1.3
271.05994	1.1
277.04980	1.1
278.05930	1.0
279.03000	1.3
280.03607	1.4
281.04675	1.2
283.02417	1.2
284.03366	1.2
292.07202	0.9
295.02594	1.7
296.03134	1.9
297.00372	1.3
297.03967	1.1
300.02652	1.0
303.06503	1.7
304.03897	1.2
305.04446	2.9
313.03476	2.2
315.06793	1.0
317.04385	1.5
318.05139	0.9
319.05893	1.9
320.06888	1.2
321.04160	1.3
323.05716	0.8
328.06033	0.8
330.05341	1.8
331.06262	3.7
332.06799	1.7
333.04068	2.7
334.04739	1.3
335.05365	1.0
342.07568	1.9
343.08139	2.3
344.06821	1.6
345.04059	1.5
345.07660	1.2
347.05588	3.5
348.06296	1.8
349.03455	1.8
349.07123	1.0
358.04761	1.2
359.05640	1.3
361.03613	1.6
363.05103	1.2
364.05756	1.6
371.05606	1.1
372.06393	1.9
373.03320	1.9
373.07446	1.9
374.04184	2.8
375.04977	5.5
376.05978	1.4
377.03015	3.1
379.08380	1.0
383.05563	1.7
384.06311	1.3
385.03247	1.4
386.04013	1.1
387.04962	1.1
389.06528	2.6
391.04257	1.7
392.05222	3.8
399.04807	1.3
400.05933	2.8
401.02600	1.8
402.03650	2.2
403.04480	5.3
405.02252	5.8
407.07642	7.7
411.05051	1.6
414.07465	1.2
415.08209	3.8
417.06030	6.3
418.06808	1.9
419.03668	1.1
420.04922	4.6
421.09256	1.5
422.10107	1.1
428.05313	1.9
430.10587	1.0
431.07773	1.9
432.08374	5.2
433.09119	5.3
434.06390	0.9
435.07178	31.8
436.07535	4.9
443.07571	5.9
444.07999	1.1
447.10736	3.6
449.08707	9.6
449.27591	1.1
450.09570	30.3
451.09824	4.8
458.10031	4.8
459.10861	2.1
461.08853	9.7
462.09695	1.1
464.11392	1.0
465.11887	29.5
466.12341	4.5
469.05341	1.8
473.12573	7.2
474.12845	1.4
476.11057	1.4
477.08331	3.0
484.07733	1.0
487.06836	3.4
489.12781	0.9
491.13812	8.9
492.13864	2.3
493.11475	9.6
502.09216	1.7
507.12933	38.2
508.13425	7.3
517.11481	5.8
518.11462	1.0
535.12451	30.5
536.12793	6.1
537.10419	40.4
538.10571	7.5
553.13348	1.3
561.10382	80.7
562.10748	17.5
579.11212	5.6
580.11969	1.6
597.12500	100.0
598.12805	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11324	0.5
59.89582	0.4
62.96297	0.5
70.59380	0.5
76.02511	0.5
78.60291	0.4
78.95776	68.4
87.00758	1.7
96.96841	11.6
126.13405	0.5
138.84023	0.5
150.97931	1.0
152.99492	100.0
153.99854	1.5
171.00542	2.9
194.39311	0.5
223.00084	9.9
241.01161	25.8
242.01538	1.2
259.02252	2.1
261.22241	0.6
271.02612	1.2
279.23288	58.7
280.23676	7.5
300.02792	0.9
311.28915	0.6
315.04871	21.0
316.05200	0.9
333.06039	1.1
433.24252	0.5
505.11261	0.6
571.61725	0.5
595.28894	92.5
596.29260	16.5
612.91492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1303
Annotation	Quercetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.17923	0.6
54.06908	0.6
56.91264	0.6
67.17864	0.7
67.97892	0.6
69.51485	2.9
69.51918	2.1
69.60448	0.7
73.50381	0.6
79.95155	0.7
91.52057	0.6
94.61494	0.7
95.50967	0.7
98.20523	1.4
98.57139	0.6
107.01238	1.4
108.02051	1.0
108.83698	0.6
121.02839	1.0
132.16205	0.7
135.00674	0.7
151.00287	4.3
161.49579	0.6
178.99789	3.0
199.03967	0.7
200.29187	0.7
222.76329	0.7
226.02756	1.3
227.03488	1.7
243.02927	7.0
254.02257	1.5
255.02966	16.2
271.02484	33.6
272.02853	2.3
299.01978	2.0
300.02747	58.3
301.03433	14.8
302.04028	1.1
595.13031	100.0
596.13409	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	595.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03319	0.3
59.01250	2.7
68.89741	0.2
69.03338	0.3
71.01253	2.5
72.99191	0.6
73.02811	1.1
83.01269	0.5
85.02831	1.6
87.00761	1.0
88.98685	0.7
89.02337	0.8
89.03828	1.7
89.04274	0.2
93.03331	0.8
95.01267	0.3
97.02830	1.1
99.00763	2.0
101.02328	1.7
106.04126	0.4
108.02074	0.4
109.02842	0.5
111.00748	0.2
111.04393	0.2
113.02332	1.5
117.03352	5.0
118.03669	0.3
119.04961	0.4
121.02847	0.5
123.00855	0.3
123.04434	0.3
124.01509	0.3
125.02341	3.5
132.02065	2.0
133.02855	0.4
134.03636	73.4
135.03941	2.7
136.01579	0.2
137.02339	1.3
139.03925	0.3
145.02888	0.3
147.04465	0.3
149.02306	0.3
149.05988	6.8
150.06317	0.4
151.00259	0.6
151.03896	0.4
153.01836	0.3
155.03442	0.3
159.02956	0.2
160.01575	7.8
161.01926	0.3
161.04410	0.9
163.03906	0.4
165.05466	0.4
166.96715	0.2
167.03345	0.2
173.04445	0.5
173.05922	0.2
175.03932	11.3
176.04401	0.5
176.08377	0.2
178.02623	1.8
178.99863	0.3
187.03951	0.3
191.03831	0.3
191.05516	1.7
193.04994	100.0
194.05328	5.7
197.11708	0.4
201.09070	0.2
203.05609	0.2
203.07365	0.2
209.11943	0.2
211.05975	0.2
217.04984	0.2
227.03447	0.3
230.08832	0.3
241.10811	0.3
243.02919	0.6
255.03006	1.9
256.03311	0.2
271.02518	4.5
271.05460	0.3
272.02820	0.5
275.07715	0.2
293.04626	0.2
293.08914	0.2
300.02750	8.3
301.03296	1.4
343.08139	0.3
359.15198	0.4
360.15314	0.2
361.15656	0.4
369.13779	0.2
401.10910	0.4
419.12149	1.3
447.16522	0.3
594.24744	0.4
595.13580	4.9
595.25220	1.4
595.33228	0.3
596.12823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2797
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01232	1.8
59.03645	0.5
61.98682	0.9
63.96094	1.1
65.61739	0.5
69.03339	0.5
69.51822	0.8
69.52150	3.6
71.01255	8.3
73.02815	1.1
78.98469	5.5
79.95602	11.5
80.96391	62.5
81.03300	0.9
85.02831	2.6
85.33942	0.4
87.00748	13.2
88.01092	0.6
89.59573	0.5
94.97965	16.5
96.95883	1.0
97.02824	1.6
99.00787	0.6
101.02306	2.8
103.06728	0.5
106.97966	3.2
113.02298	0.9
121.02839	2.5
122.97465	2.5
125.02347	3.0
130.99757	0.5
134.97498	4.6
136.99045	1.3
137.02332	1.4
138.43112	0.5
147.04436	2.3
148.01518	0.6
148.05170	0.7
148.99065	6.3
152.98546	5.7
161.02380	0.5
164.98546	12.2
191.03400	0.9
192.04248	0.8
194.30687	0.6
195.13802	0.9
199.03993	0.9
206.99615	1.8
209.04552	0.7
209.11739	1.3
210.04805	0.5
225.00708	15.2
243.02931	1.4
255.02838	2.8
257.04651	0.6
271.02478	11.6
272.02911	1.1
295.22717	1.0
299.04498	3.1
300.02664	6.8
301.03186	1.0
314.04358	0.6
342.07257	1.5
405.06113	1.2
409.08960	0.5
433.05487	1.7
443.11575	0.8
463.10355	3.8
489.11954	1.9
495.09393	1.3
505.11237	2.4
506.11530	0.6
533.10809	4.7
534.11511	1.2
535.08734	1.5
577.09967	0.8
595.13031	13.6
595.27887	100.0
596.12750	2.7
596.28284	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	595.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
65.00197	2.8
69.66843	1.5
69.67259	2.3
71.01261	0.9
74.97153	0.6
83.01241	1.2
85.02795	0.7
93.03339	1.6
95.01277	1.7
98.19870	0.8
99.00790	1.2
107.01273	3.1
108.02029	3.1
109.02852	2.0
110.00005	4.8
111.00790	2.3
114.09705	0.6
115.90287	0.6
117.03310	1.3
121.02843	2.4
123.00789	2.4
123.04488	0.8
124.01520	1.4
125.02361	1.6
133.02855	0.8
135.04417	0.7
136.98708	2.2
137.02348	3.6
137.99503	2.1
138.03123	1.1
139.00276	5.1
139.03917	1.3
142.70616	0.6
147.04456	0.6
148.01587	1.1
151.00281	9.9
152.01115	3.3
153.01820	0.8
155.04984	0.8
159.04445	1.0
163.00288	1.9
163.04044	1.4
164.01115	1.0
165.05511	1.8
165.98990	6.8
166.99780	2.9
171.04440	2.2
172.05093	0.7
173.02536	1.0
173.05954	0.8
175.04042	0.9
178.99757	4.9
179.07106	0.7
180.04312	0.9
181.05005	2.1
182.03665	0.8
183.04445	2.6
185.06027	0.9
187.03995	3.5
193.98528	1.2
195.06592	2.6
198.03210	2.5
199.03935	3.9
200.04631	1.0
201.05504	2.4
203.03455	1.3
206.99117	0.7
211.03940	3.3
215.03464	2.5
216.04286	1.6
225.01830	0.7
226.02573	3.4
227.03450	13.1
228.04024	1.5
229.05017	1.5
239.03464	1.8
240.04178	0.7
243.00476	1.2
243.02969	20.3
244.03532	2.5
245.04578	0.9
254.02209	3.1
255.02985	46.7
256.03311	4.9
257.04547	2.4
271.02490	63.2
272.03159	17.4
273.03857	2.7
282.01733	1.3
283.02505	18.6
284.03064	2.2
285.03983	1.0
285.38330	0.7
299.01984	2.9
300.02756	100.0
301.03479	33.4
302.03830	2.5
331.11893	2.1
361.12988	1.3
376.15363	2.8
391.17676	15.8
392.17740	1.6
441.78922	0.7
463.08670	0.8
475.09836	1.0
577.12134	1.2
595.13031	85.0
596.13367	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	595.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.6
61.98703	1.8
69.32880	6.4
69.33306	6.2
69.36851	1.4
71.01244	5.1
73.02824	3.1
75.00740	4.8
76.87872	1.6
79.05470	1.5
83.01212	1.8
85.02809	4.3
87.00751	10.3
89.02297	2.4
93.03320	3.9
94.34089	2.1
99.00750	2.8
101.02347	3.0
107.59862	1.5
108.02042	2.0
109.02862	1.9
111.00780	2.7
113.02361	1.9
121.02866	4.0
123.00746	1.9
123.04400	2.0
125.02341	2.0
134.03627	4.4
135.04411	14.3
137.02367	3.0
139.87764	1.6
145.02844	1.8
146.03627	2.2
147.04375	2.5
148.01578	5.1
149.02324	3.3
149.05894	3.5
151.00266	3.7
151.03871	4.9
152.01079	2.1
159.04478	2.7
161.02356	2.4
163.00313	2.5
163.03880	4.8
171.04417	2.8
173.02415	3.4
173.04436	3.0
173.05946	5.8
174.03099	2.8
175.03871	2.4
175.07494	1.6
177.01854	3.4
178.02516	1.6
178.99712	2.1
179.03259	2.2
185.06020	2.6
187.03978	2.3
187.07605	4.2
188.01147	1.7
189.01880	3.3
189.05516	2.0
191.05511	2.2
193.04982	4.5
197.06046	3.6
199.03850	3.3
199.07669	3.0
201.01953	2.0
201.05559	2.5
205.01071	1.6
211.03935	3.1
213.01837	2.6
213.05504	2.5
214.02696	1.5
215.03444	2.1
216.00577	3.4
216.07483	1.6
217.01328	2.6
218.02286	2.1
225.05432	5.1
227.03439	6.2
227.07027	2.7
229.01288	2.2
230.02225	9.0
231.02994	1.8
232.93079	1.7
241.01241	1.9
241.05054	5.2
242.02087	4.1
243.02940	5.2
243.06529	1.7
244.00079	5.6
245.00763	3.4
252.04370	2.2
253.04974	6.2
254.02000	1.8
254.05824	1.5
255.02863	10.5
256.03693	6.8
257.01089	1.6
257.04611	1.6
259.02301	2.7
269.04541	4.4
269.07993	1.7
270.02844	1.5
270.05325	11.3
271.02478	21.2
271.06070	22.2
272.03146	3.0
272.06403	2.0
279.02924	3.9
282.05896	1.7
291.08804	2.4
295.02454	2.7
296.03241	1.8
297.04062	5.0
299.02005	3.3
299.05377	1.6
300.02756	29.2
301.03311	6.8
329.06708	3.1
341.03137	2.1
343.08179	2.1
365.02896	1.7
371.07645	6.8
380.05350	2.8
391.06320	3.4
393.02512	3.3
408.04684	8.4
423.07108	3.9
436.04422	16.4
437.04813	4.2
447.16678	5.8
449.08951	7.0
450.05478	1.9
451.06458	3.8
459.07272	6.7
463.10767	2.9
466.09033	33.2
467.09335	4.1
474.09793	1.7
477.08206	28.9
478.08685	3.7
479.13098	3.5
487.16180	2.7
489.12076	9.6
491.09766	2.3
492.10541	2.2
507.12964	100.0
508.13306	16.7
533.11060	8.6
535.21490	1.6
543.99982	1.8
551.11951	89.3
551.30408	3.0
552.12299	14.9
577.09875	32.6
577.19147	4.0
578.10052	4.4
594.25238	3.5
595.12726	24.1
595.25195	3.0
595.33929	4.1
596.13293	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	595.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49015	1.3
57.03322	1.3
59.01240	6.4
61.98705	3.1
64.47746	1.3
71.01255	4.6
71.54333	1.7
72.99196	1.5
75.00744	1.9
85.02824	2.0
87.00755	91.6
99.00755	1.5
101.02327	3.1
109.02832	2.1
112.95228	1.2
112.98690	3.5
119.04911	2.3
121.02863	2.8
123.04393	2.9
130.99760	4.5
134.03595	3.0
135.04408	5.7
137.02335	2.6
145.02861	1.9
146.03589	2.3
147.04419	4.0
149.02298	1.7
149.05988	1.7
149.27907	1.3
150.03122	1.4
151.00241	2.0
159.04440	2.8
161.02345	2.1
163.00197	2.2
163.03912	3.2
165.05463	1.6
171.04395	2.2
173.04559	2.1
173.06007	2.2
174.03180	1.5
175.03894	2.6
177.01738	1.5
185.05945	1.7
187.03941	7.7
188.04698	1.7
190.02625	1.7
191.03468	2.3
191.05530	1.6
193.01398	3.5
193.05103	2.1
194.08421	1.3
198.03027	2.1
199.03929	8.8
201.05486	2.4
201.09201	2.2
203.06999	1.8
205.05214	1.5
215.03444	2.2
226.02634	3.1
227.03447	24.2
242.02194	1.7
243.02870	7.9
255.02963	4.8
269.04617	1.7
271.02585	9.6
271.09714	1.7
285.03888	1.9
297.90518	1.4
300.02747	14.3
301.03287	1.5
313.03543	3.8
317.04691	1.6
318.05444	1.5
329.06870	2.0
329.33759	1.3
331.06000	1.6
334.04694	1.6
343.08136	3.6
344.03177	1.5
345.04111	1.6
361.03433	1.7
361.07272	1.9
370.91968	1.3
371.05405	1.5
374.04138	1.9
376.01993	1.5
377.06747	2.4
389.06897	2.6
391.04492	2.6
403.04617	1.7
405.06564	8.2
417.05933	3.6
419.04001	3.0
420.04224	1.9
420.08908	2.0
421.08896	2.3
422.34503	1.4
431.07623	6.1
432.08408	2.2
433.05368	9.5
434.06216	3.2
435.06818	4.8
435.11578	2.4
448.07968	4.6
449.08786	15.1
450.09338	4.5
463.10385	60.6
464.10422	8.8
477.08212	6.3
489.12085	3.4
492.10352	4.7
505.11316	2.6
507.12933	100.0
508.13220	17.5
533.10675	4.6
559.08722	4.2
577.22876	16.5
578.23224	2.1
595.11658	21.2
595.37158	3.7
596.12024	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	595.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14808	0.9
59.01247	3.0
59.67835	0.9
63.01030	1.2
67.90096	1.1
69.21740	4.5
69.22167	6.5
78.27154	1.2
87.00226	2.2
87.00750	31.2
109.02820	2.6
126.29842	1.4
130.99718	4.4
133.23827	1.2
135.04420	13.0
137.02341	1.3
147.04402	3.8
159.04384	1.5
161.02435	1.2
164.65359	1.1
187.03917	2.6
211.13162	1.6
216.07866	1.1
225.24861	1.2
227.03406	2.1
243.02985	3.8
245.54611	1.3
255.02898	1.5
271.02432	4.4
296.03113	2.1
300.02811	2.8
301.10770	20.3
303.16278	1.2
389.03070	3.7
403.25690	1.3
415.04468	2.4
416.05417	1.9
432.04782	2.4
433.05505	4.2
435.10843	1.5
447.07126	3.7
448.07968	1.9
459.07016	4.1
461.04218	2.3
462.09674	2.3
463.10294	7.6
475.06778	19.4
476.07043	3.7
480.16345	2.0
490.09021	1.6
491.09946	2.8
494.08353	3.1
495.09244	1.9
503.06216	20.3
504.06488	2.2
505.11398	16.4
506.11890	1.8
517.07361	2.5
529.04272	3.4
533.10901	17.7
534.11133	2.3
535.08881	46.5
536.09210	6.9
559.08765	6.7
560.08667	1.7
577.00519	1.5
577.09875	36.5
577.22589	6.4
578.10284	7.4
595.10962	100.0
596.11316	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	595.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.0
61.98697	1.2
64.97291	0.9
71.14739	1.0
87.00753	76.1
88.01053	1.0
93.03325	1.2
98.19823	1.8
109.02843	1.5
115.10207	0.8
119.04916	0.8
121.02882	1.0
122.18948	0.8
123.04336	1.0
124.01521	1.1
130.99757	2.7
135.04379	1.9
137.02328	3.6
143.04976	0.9
147.04425	5.5
154.31816	1.1
159.04518	1.0
163.03917	2.3
165.05458	2.9
171.04419	3.0
173.02367	1.0
175.03928	1.8
177.01958	0.9
187.03912	3.4
189.01826	1.1
191.03444	7.6
193.05069	0.9
199.03964	7.0
201.01797	2.0
203.06950	0.9
213.05692	1.4
215.03391	1.3
227.03459	1.9
234.59311	0.9
239.03484	0.9
242.02110	1.1
243.02960	4.2
255.02937	2.0
257.04605	2.3
266.67459	0.8
268.03708	1.4
271.02472	47.2
272.02707	5.2
285.04050	1.5
290.05829	1.0
297.04010	1.2
300.02756	3.6
301.03641	0.9
301.10757	2.4
312.02744	1.4
313.03336	1.6
314.08105	1.1
315.06409	1.1
318.05399	1.5
319.05954	1.1
327.05496	1.0
329.04794	1.4
331.06192	0.9
333.07764	1.2
334.04651	1.2
342.07620	4.5
343.08298	2.3
346.04703	3.6
347.05521	1.8
348.06702	1.0
353.03021	1.1
359.05466	1.8
361.07227	2.3
362.04056	1.3
371.05426	1.6
373.22537	1.0
374.04071	1.9
375.04709	0.9
377.06589	1.5
383.07733	4.0
385.06830	2.4
387.05051	1.7
389.06741	2.2
390.03519	2.0
391.07999	1.4
399.05032	1.1
402.07263	1.3
403.08447	2.0
404.05042	1.3
405.06061	6.9
406.06451	0.9
413.06369	1.2
415.04504	2.5
415.11972	2.0
416.04849	1.2
417.09863	1.1
419.07709	2.7
420.08545	1.3
428.08865	1.1
431.07828	2.9
433.05511	11.7
434.09979	2.8
435.10455	3.1
441.06006	1.1
443.05469	1.0
443.11240	4.9
445.09369	1.4
447.07227	1.2
448.07794	4.4
451.10226	2.0
459.07263	4.2
463.10342	23.7
464.10522	3.6
475.06528	1.2
478.09128	1.9
489.11899	14.2
490.12122	2.2
495.09390	16.1
496.09924	2.0
503.06485	4.1
505.11438	14.1
506.11859	2.1
507.13000	6.6
508.13080	2.0
518.08331	1.0
523.12317	2.3
524.56891	1.0
533.02716	1.7
533.10858	35.3
534.11511	6.4
535.08905	9.7
536.09363	2.0
551.11969	3.8
577.09796	9.0
577.22900	8.5
578.10303	1.4
578.23352	1.0
595.10962	100.0
596.11261	19.3
616.47748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43449	0.8
59.01255	1.4
61.89830	0.8
63.81564	0.6
63.85580	0.6
71.02476	1.7
78.95777	60.8
96.96840	11.7
96.97424	1.0
106.46580	0.8
108.68936	0.8
123.78373	0.7
137.96407	0.8
150.98024	0.8
152.99495	100.0
153.99841	1.3
171.00591	2.3
178.39949	0.7
223.00044	10.3
225.83363	0.8
241.01154	27.4
242.01646	0.9
259.02316	1.4
277.21735	48.9
278.22177	4.3
315.04865	18.4
316.05219	1.0
333.05969	0.9
593.27319	96.5
594.27594	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.2
63.19448	0.6
65.39815	0.6
66.89918	0.5
71.01245	0.8
78.95777	79.8
87.00731	1.1
96.96199	0.9
96.96841	18.0
110.01256	0.5
122.34778	0.7
128.47229	0.5
137.02304	0.9
150.97920	1.0
152.99495	65.9
153.99883	0.8
154.31767	0.6
164.15790	0.7
174.98047	0.6
223.00078	2.6
229.94991	1.0
241.01158	36.8
242.01614	0.8
259.02216	0.9
259.20694	0.7
266.58868	0.7
277.21722	53.6
278.22052	5.7
291.40265	0.6
315.04834	12.0
337.32773	0.7
413.21051	6.6
414.20917	0.7
420.71759	0.7
587.50916	0.7
593.27301	100.0
594.27612	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.0
59.01254	66.3
61.98701	3.7
67.13839	1.0
70.49605	1.2
71.01254	10.1
71.54633	1.4
72.99188	1.8
73.02818	2.5
73.57899	1.0
75.00752	1.8
77.45244	1.1
78.27077	1.0
80.96357	1.1
83.01264	4.2
83.04937	1.2
85.02810	7.9
87.00755	100.0
88.01103	2.3
89.02325	2.3
89.32792	1.2
93.03339	2.1
95.01261	1.8
95.04945	1.2
97.06516	1.3
99.00769	2.1
101.02332	10.7
107.04945	1.2
107.99901	1.2
108.02086	1.6
109.02806	3.2
111.00758	2.1
113.02335	6.1
119.04939	2.3
121.02840	3.4
123.04453	1.5
125.02373	1.2
130.99771	10.2
134.03619	3.3
135.04390	3.1
137.02348	17.1
139.03864	1.5
142.95322	1.1
143.03394	1.3
145.02835	1.3
146.03641	3.5
147.04431	9.0
148.05186	3.1
149.05991	7.5
159.04402	8.3
160.01550	2.4
160.05156	2.1
161.02304	2.8
161.04518	1.6
161.05939	2.7
162.03203	1.3
163.03940	11.1
163.07535	1.3
165.01888	1.5
165.05548	1.2
166.57506	1.3
171.04430	2.0
172.05190	6.0
173.02370	1.2
173.04541	2.1
173.05969	8.5
174.03168	1.8
174.06729	4.6
175.03900	7.9
175.07559	15.2
176.07854	1.4
177.01918	1.2
177.05551	1.1
179.03358	1.5
185.06000	7.2
185.57011	1.1
186.06773	5.1
187.03917	4.5
187.07533	7.8
188.04694	2.7
188.08195	1.6
189.05450	3.3
189.09114	2.9
190.06422	1.5
191.03474	8.1
192.04102	3.2
193.04955	3.7
196.05260	1.9
197.06020	2.7
198.06683	1.4
199.07487	2.6
200.04680	4.7
200.08310	2.1
201.05536	4.2
201.09174	7.9
202.06270	2.3
203.03491	1.4
203.07053	3.8
205.08685	1.4
209.11652	1.5
210.07011	1.7
211.07588	4.9
211.13393	9.7
213.05530	3.8
213.09081	1.8
213.18604	1.5
214.06284	4.9
215.07100	8.8
216.07718	2.4
219.02974	1.4
223.07581	1.2
225.09225	1.3
227.07106	1.3
229.08611	4.2
231.06483	2.3
232.07353	4.1
243.06541	1.2
243.10208	5.6
244.10953	1.4
245.08292	2.1
245.11829	1.7
245.15271	1.3
255.06792	1.2
271.02454	1.8
271.13419	2.1
275.12836	1.5
276.13556	1.9
283.13290	1.7
285.14954	2.1
287.12790	1.9
289.14478	3.1
297.14978	7.3
299.01950	3.2
301.14368	2.5
303.16016	2.0
304.16745	3.9
311.12985	2.6
311.16324	2.3
313.14554	1.4
314.15085	1.6
315.16006	7.9
325.14670	2.1
327.12381	1.4
329.13901	7.8
331.15436	2.4
339.16251	6.4
340.16467	2.0
341.17520	1.7
342.07431	1.9
343.15436	1.7
345.30185	2.7
346.10440	2.2
348.15744	1.5
357.17087	6.2
358.18066	1.5
364.07999	2.0
382.08759	3.5
389.19638	2.8
401.28922	1.3
403.04837	1.7
403.35242	1.2
431.04099	2.1
455.24649	1.8
460.17505	3.4
461.08609	4.2
461.17712	1.6
475.06702	4.1
479.09720	4.9
489.34323	36.8
490.34616	5.9
499.23410	4.4
505.11301	10.4
506.11496	2.6
507.35394	14.3
508.35641	4.5
531.09534	3.9
533.32855	1.2
543.22394	3.9
549.09961	1.6
549.35266	1.6
557.23706	2.0
561.23346	5.1
562.23401	1.9
575.25372	18.1
576.24799	4.9
593.26599	19.3
593.35492	3.0
594.26154	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01240	0.8
61.98685	0.3
63.96098	0.8
66.77672	0.3
69.03352	0.3
70.41039	0.9
70.92416	0.3
71.01253	6.6
72.99187	0.3
73.02824	1.1
73.34449	0.3
74.92588	0.3
75.00745	0.3
78.98466	4.5
79.95123	0.7
79.95608	33.4
80.96391	51.9
81.03328	0.8
85.02825	2.6
87.00748	5.7
94.97960	12.3
95.01251	0.3
96.95894	1.3
97.02825	1.6
99.00745	0.5
101.02327	1.8
106.97981	2.4
109.02883	0.3
122.97475	2.9
125.02336	2.2
127.03886	0.6
130.99753	0.9
134.97484	3.9
136.99031	1.4
137.02374	0.8
142.40555	0.3
148.99045	4.4
152.98524	4.9
158.10181	0.3
161.04491	1.5
164.98543	8.8
165.98880	0.4
167.00131	0.3
175.85553	0.3
179.00111	0.7
188.98569	0.4
195.13962	0.3
206.99612	2.6
220.90756	0.3
225.00705	13.0
226.01044	0.5
241.00163	2.8
242.16196	0.2
243.01631	0.5
264.16592	0.3
275.68024	0.3
293.20947	0.3
299.04379	3.1
315.03870	0.9
341.05371	1.0
371.06543	2.6
382.12683	0.4
385.07822	1.5
391.31082	0.3
399.09592	1.9
400.09927	0.4
413.11261	1.6
427.12897	0.5
441.14392	1.2
455.15820	2.5
456.16663	0.4
479.09348	0.3
481.17792	0.6
495.19080	2.8
523.18439	1.8
524.18958	0.8
546.49335	0.3
593.26337	100.0
594.26666	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	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53060	1.8
57.03331	3.2
59.01254	8.4
60.47008	1.5
60.55942	1.6
60.74971	1.5
60.99164	2.0
66.91284	2.1
67.01762	9.9
69.03329	2.2
69.72849	8.1
69.73265	4.3
71.01260	10.1
73.02805	2.6
81.03334	2.7
83.01299	1.7
84.22321	1.8
85.02821	3.4
87.00760	10.6
93.03335	52.3
98.19795	2.8
99.00780	3.8
101.02293	2.8
106.72552	1.9
108.02036	4.1
108.07993	2.0
109.02844	3.1
111.04398	7.5
113.02300	3.0
121.02861	3.8
123.04384	5.0
125.02320	7.4
133.02853	2.7
134.03650	8.8
135.04446	3.1
137.02347	9.6
148.01492	1.8
149.02319	5.5
149.05994	8.6
150.03096	4.2
151.00250	2.8
151.03917	2.4
152.01036	9.0
153.01810	5.1
155.03436	4.4
160.01556	2.5
161.02206	4.1
163.00314	2.3
163.03870	4.5
164.04633	2.4
165.01828	12.1
165.05461	8.1
166.02556	2.7
167.03473	8.4
173.04474	100.0
173.05972	5.0
174.03192	1.9
174.04710	3.0
175.03961	4.4
178.02617	2.9
179.03433	4.9
180.04170	5.1
191.05516	7.6
193.01315	3.9
193.04950	12.5
195.06537	6.7
208.03564	2.2
223.06018	7.0
225.07648	3.3
227.03389	3.7
239.03400	3.1
250.95935	1.9
255.02921	11.8
267.07144	1.8
271.02460	2.2
284.03366	14.1
285.03845	3.8
299.02106	4.3
299.05591	10.3
300.02689	2.6
371.11267	4.2
408.80792	2.0
441.11783	2.5
444.73651	2.4
455.13397	2.5
473.14423	7.2
593.16632	16.6
594.16479	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	593.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.7
57.03321	4.4
59.01249	53.2
61.98693	2.5
64.74393	1.0
65.00225	0.7
68.99678	0.9
71.01254	6.9
72.99174	0.8
73.02808	3.2
83.01257	1.0
83.04902	0.8
85.02805	3.4
87.00739	5.1
89.02312	2.4
93.03341	2.0
99.00768	2.5
99.04402	2.2
101.02325	5.9
108.02036	1.1
109.02824	1.3
109.19078	0.8
111.00750	1.1
113.02306	3.9
117.03393	0.8
119.04887	0.9
119.08544	3.2
121.02830	2.7
123.04399	4.5
124.01534	0.8
125.02324	0.9
133.02888	5.3
135.04468	1.0
135.08046	1.6
135.11638	1.1
137.02324	6.7
137.09625	10.5
145.02831	2.7
147.04399	2.0
149.02362	1.0
149.06003	2.1
151.03896	1.9
152.01067	1.5
153.01793	1.3
154.39771	0.7
160.01588	1.5
161.02376	8.7
161.04416	5.3
161.09595	2.6
163.03931	7.4
163.07555	0.9
165.01865	2.0
165.05518	0.9
167.03435	1.1
173.04437	1.0
174.03119	1.8
175.03917	15.1
176.04610	2.4
176.85565	0.8
177.01863	10.9
177.05432	1.7
179.03384	2.7
179.07047	0.8
179.10690	6.4
180.00269	1.0
180.04176	6.6
181.08633	17.4
185.19034	0.9
187.00290	2.0
188.04753	2.8
189.01871	13.0
189.05493	6.8
190.02252	1.4
190.06285	16.6
191.03372	1.1
191.05521	1.5
191.07053	10.1
192.04218	1.5
193.05003	10.9
194.05748	6.2
197.11780	20.7
203.07045	2.3
205.01416	1.3
205.08655	16.3
207.06563	5.3
208.07349	12.5
222.08850	1.7
223.09746	5.5
227.03456	1.2
237.09763	6.2
241.10815	15.8
243.02948	1.2
255.02939	1.2
267.03073	1.1
269.00974	0.9
271.02356	1.6
282.01648	1.0
283.02414	1.5
284.03183	1.1
285.03915	2.0
295.02576	1.7
299.01913	3.2
299.05228	1.1
300.02585	1.6
312.02786	1.2
312.09875	0.9
313.03531	1.6
325.05890	1.1
327.05121	1.3
328.06064	1.1
342.07394	3.7
343.08139	3.4
344.12634	2.9
359.15027	100.0
360.15341	10.1
369.14075	12.1
385.03265	1.4
389.16058	1.9
451.10721	1.0
463.06387	2.5
473.05145	1.7
489.04587	1.8
491.06287	0.9
501.04523	5.2
503.09637	2.5
517.07373	2.3
519.09290	20.4
520.09552	4.1
521.10516	1.3
531.09332	47.4
532.09686	10.9
549.10376	11.5
550.10596	2.4
575.08264	4.0
575.23254	1.8
593.24469	86.2
594.24805	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.8
60.99194	0.7
67.01748	0.7
69.03339	0.8
71.01261	5.5
71.02418	0.5
71.53519	0.8
73.02821	1.1
81.03335	1.8
83.01257	1.6
83.04898	2.3
84.77590	0.6
85.02823	2.5
87.00750	3.1
89.02309	2.3
93.03333	13.3
93.89644	0.7
94.03669	0.6
95.01247	0.7
95.04910	0.5
97.02849	0.7
99.00725	1.3
101.02321	2.2
102.02686	0.5
108.02080	2.2
109.02818	1.5
111.04407	6.8
113.02336	2.2
119.03404	0.8
119.04879	1.2
121.02851	8.6
122.03647	8.0
123.04408	1.0
125.02348	1.8
127.03910	0.9
129.01796	1.1
133.02827	1.5
134.03627	1.5
135.04424	3.4
136.01559	1.1
137.02341	3.5
145.02824	0.9
147.04410	2.4
149.02356	39.2
149.06004	1.3
150.03137	58.0
151.03581	2.1
152.01050	9.0
153.01813	0.8
155.03394	7.2
161.02377	0.7
161.04456	1.1
163.03957	6.4
163.07430	0.6
164.04716	22.6
165.01828	2.6
165.05493	68.1
166.02647	0.9
166.05840	3.5
167.03426	3.8
169.04968	2.8
173.04485	26.0
174.04884	1.1
175.03853	1.0
177.01837	0.6
177.05472	0.7
179.07074	6.3
180.04189	5.8
191.03575	0.8
191.05553	2.6
193.01360	14.2
193.05022	2.3
194.01649	0.9
195.06578	46.4
196.06883	2.9
197.04555	0.8
208.03725	33.9
209.04083	2.2
223.06079	100.0
224.06424	7.8
255.03011	1.0
266.97391	0.6
267.00162	0.6
269.04443	0.8
280.07272	0.8
283.02499	1.2
284.03146	0.7
299.02054	0.9
299.05389	1.2
300.02780	2.1
301.03561	0.8
312.10095	1.0
371.11343	8.1
372.11636	1.0
397.62314	0.6
419.08044	1.1
419.13504	17.5
420.13470	2.6
447.11731	1.1
463.08853	0.8
473.14612	1.7
503.15173	0.7
533.26019	4.6
534.25909	0.8
551.27295	1.3
593.19165	10.1
594.18115	1.8
602.46570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14870	1.0
57.41176	1.0
59.01256	6.2
60.99182	4.3
63.80354	0.9
67.01753	7.4
69.03335	2.1
69.67459	5.2
71.01269	8.8
72.99165	1.2
81.03317	2.3
83.04920	1.7
85.02833	4.3
86.40654	1.0
87.00753	8.7
89.02331	1.3
93.03343	66.9
94.03725	1.9
95.01325	1.8
98.19843	1.7
99.00778	2.7
101.02326	3.0
108.02061	44.3
109.02849	10.6
111.00758	1.2
111.04402	10.6
113.02354	3.4
117.03325	1.6
119.04926	13.6
119.64859	1.0
121.02892	3.5
122.03566	1.0
123.04454	1.5
129.01799	1.6
133.02852	8.3
134.03596	1.3
135.04449	1.3
137.02338	3.7
145.02847	4.5
149.02394	4.8
150.03117	8.2
151.00267	1.5
151.03902	3.6
152.01065	100.0
153.01823	6.4
155.03404	3.3
155.18799	1.4
161.02376	2.8
161.04456	2.3
163.03925	15.7
164.04678	3.2
165.05441	10.5
165.06499	1.1
173.04483	66.1
174.04781	3.0
177.01888	1.8
179.03455	1.3
179.07120	1.6
189.01897	1.4
191.05573	4.9
191.07115	1.5
193.01369	2.5
193.04977	1.6
195.06647	4.2
208.03734	3.1
223.06119	4.9
241.01292	1.6
243.03021	1.4
245.00916	1.3
253.72780	1.1
255.03062	1.8
271.02512	3.8
284.03397	1.9
285.04102	1.4
299.02133	8.2
299.05164	1.9
300.02841	3.5
301.03464	2.1
315.07178	2.1
419.13779	2.5
429.10410	10.8
447.11435	49.1
448.11768	5.2
463.09097	1.5
517.07849	1.5
533.25964	3.3
566.19232	1.2
593.14899	50.7
594.15326	7.0
605.91779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20961	0.8
55.01741	0.7
57.03330	1.1
59.01234	3.3
67.01748	4.1
69.03316	1.8
69.72243	3.8
69.98134	0.8
71.01244	6.5
73.02808	1.7
81.03316	1.3
83.01205	1.2
83.04905	1.3
85.02798	3.6
85.84410	0.7
87.00729	3.1
89.02312	1.7
93.03339	28.4
94.03667	1.4
95.01254	1.8
96.95847	0.9
99.00724	2.4
101.02316	1.9
108.02055	56.7
109.02859	13.9
111.04395	4.1
113.02304	2.7
117.03372	1.9
119.04920	17.8
121.02803	2.3
122.03609	1.1
123.04419	1.0
133.02798	2.1
135.04340	1.8
137.02283	3.8
145.02867	6.2
148.64856	0.8
149.02309	3.6
150.03087	3.4
151.00320	1.0
151.03868	1.9
152.01059	100.0
153.01802	8.4
155.03381	2.2
161.02336	1.3
161.04434	1.2
163.03931	16.5
164.04512	1.3
165.05501	4.7
167.03391	1.0
173.04474	60.8
173.17345	0.7
174.04745	3.0
175.03938	1.1
177.01761	1.3
179.03340	1.1
180.03954	0.8
181.04843	1.4
182.27782	0.7
191.05443	1.8
193.01318	1.6
195.06456	2.2
207.02924	1.3
208.03661	2.2
223.06091	6.7
227.03441	0.9
241.01334	1.2
243.52969	0.8
248.03793	0.8
255.02800	1.3
267.05106	1.5
267.92395	0.9
271.02399	1.7
284.02994	1.2
285.03699	1.1
299.01862	5.3
300.02182	1.8
315.07062	2.3
419.13605	1.3
429.10324	16.2
430.10455	2.2
447.11444	59.6
448.11893	6.0
593.14917	66.9
594.15472	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29171	0.4
57.03318	0.4
59.01254	2.7
60.69626	0.3
65.00191	0.9
70.32465	0.4
72.99167	0.6
73.02830	0.7
74.14600	0.4
83.01259	1.0
85.02831	1.9
87.00774	1.1
88.98683	0.7
89.02321	1.1
93.03330	1.7
95.01232	0.6
98.61129	0.4
99.00750	1.2
101.02351	0.7
107.01292	1.5
108.02052	17.7
108.22902	0.4
109.02273	0.4
109.02860	5.1
113.02353	1.1
117.03339	0.8
119.04905	4.4
121.02851	1.1
123.00776	1.5
123.04423	1.0
125.02335	0.8
126.77821	0.4
132.02011	0.9
133.02844	0.9
134.03629	0.7
135.00771	1.1
135.02893	0.6
135.04401	0.8
137.02332	1.3
143.04759	0.4
145.02823	1.9
147.04425	0.7
149.05942	0.5
150.03104	0.8
151.00267	3.5
151.03870	1.0
152.01057	31.0
153.01718	2.7
153.59630	0.4
159.04442	1.0
160.01488	0.5
160.05161	0.6
161.02390	0.8
161.04536	0.6
163.00287	1.3
163.03928	5.2
169.01430	0.7
169.06544	0.5
173.04442	1.6
174.03073	0.5
175.03992	0.7
175.07573	0.6
177.01843	0.9
177.93631	0.4
178.99773	0.5
183.04489	0.7
185.02168	0.4
185.05971	1.0
187.03886	1.3
189.01849	0.9
189.05574	0.8
193.04990	1.5
196.77122	0.4
199.04056	1.0
207.03076	0.7
211.03912	2.0
213.05544	0.6
215.03423	0.4
227.03445	29.9
228.03874	1.8
229.04999	3.7
229.67552	0.5
239.03404	1.2
241.01450	0.9
241.05078	0.6
243.03011	0.6
255.02966	55.1
256.03485	6.9
257.04489	3.0
270.01736	0.6
271.02475	1.9
283.02478	1.1
284.03253	70.6
285.03970	30.3
286.04361	1.7
299.01996	4.6
299.05383	0.7
300.02591	1.1
301.03503	0.5
315.07306	0.5
322.70905	0.4
327.05069	1.0
350.35120	0.5
359.14996	3.6
383.54346	0.4
389.15869	0.5
429.10342	3.9
447.11420	16.3
448.11768	1.2
463.08405	0.5
517.07550	2.5
518.07562	0.5
519.70782	0.5
531.09320	0.5
560.34436	0.5
584.16455	0.6
584.66840	0.5
593.15094	100.0
594.15448	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	593.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90643	0.8
68.29613	0.8
70.84891	2.3
71.01228	1.4
71.61475	0.8
83.46642	1.0
87.00734	2.4
111.00809	1.3
113.02287	0.9
121.02834	1.3
123.04409	4.0
133.02917	5.2
134.03627	1.3
135.04417	1.2
137.02345	13.1
140.81749	0.8
145.02789	0.9
149.02322	2.3
149.05925	1.9
151.03876	1.2
160.01587	1.6
161.02364	20.1
163.03938	2.7
175.03984	2.2
177.01871	14.7
179.03392	2.3
187.00291	6.8
189.01884	36.1
190.02252	2.1
193.04991	2.0
199.25027	1.0
205.01329	1.3
207.02798	1.2
211.04134	1.0
227.03395	1.4
239.03520	1.3
255.02806	1.8
267.02963	1.2
269.00912	1.6
271.02399	1.3
282.01782	1.2
283.02240	1.8
284.03406	5.7
295.02490	1.2
297.00500	1.4
298.01218	2.2
299.02185	2.0
299.05566	5.8
311.02032	1.3
312.02716	3.7
313.03595	3.3
327.05072	1.8
328.05896	1.8
337.09094	1.3
342.07504	8.0
343.08304	4.8
351.63461	1.0
357.03989	1.1
411.04980	1.5
417.10632	1.3
429.06430	2.0
463.06686	3.5
473.05179	1.4
483.03879	1.6
487.10089	2.2
489.04672	1.7
501.04758	4.2
502.05411	1.5
503.09924	4.6
505.11951	1.3
519.09406	23.7
520.09705	3.6
521.11060	2.3
531.09357	100.0
532.09601	18.8
533.13434	1.4
549.10352	23.8
550.10712	4.7
575.08344	8.2
576.08374	1.2
593.08398	3.4
593.16974	5.6
593.23486	1.1
594.08850	1.1
594.17230	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	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
59.00771	0.6
59.01249	8.2
61.98709	3.3
68.99674	0.9
69.03295	0.7
70.82957	0.7
70.83325	1.7
70.92674	0.6
71.01257	5.4
72.99177	0.8
73.02815	2.2
75.00728	1.1
78.95777	0.7
83.01252	1.4
85.02824	2.7
87.00755	14.9
89.02333	1.2
91.05418	0.8
93.03322	2.3
95.01251	1.3
97.06427	0.9
99.00781	0.8
101.02321	2.3
103.05410	0.9
103.96837	0.6
104.02577	0.9
105.03342	1.1
108.02029	1.4
109.02834	2.4
111.00780	0.9
112.98746	1.7
113.02343	1.9
117.03339	1.3
119.04926	6.0
121.02838	4.0
123.00739	0.9
123.04397	1.5
125.02304	0.8
130.99759	1.4
132.02095	2.1
133.02774	1.2
133.06444	0.8
134.03662	4.8
135.04338	2.6
136.01572	0.7
137.02362	13.8
138.02715	0.8
139.00261	0.9
145.02835	3.2
146.03673	1.7
147.00873	0.8
147.04442	9.5
148.01585	17.3
148.05139	1.9
149.02225	0.7
149.06010	2.5
150.03157	0.9
152.01131	1.1
153.01823	0.9
159.04500	1.2
160.01567	1.2
161.02371	3.3
161.06049	1.3
162.03123	1.2
163.00290	1.7
163.03957	10.7
164.01068	20.2
164.04524	0.8
165.01488	1.0
165.04088	0.6
171.04442	0.9
172.05199	1.4
173.04578	0.7
173.05980	2.4
174.03152	2.2
175.00237	1.7
175.03952	3.9
175.07558	1.4
176.01080	11.1
177.01860	3.3
177.05559	0.9
179.03419	1.1
183.04488	1.1
183.10138	1.1
185.05966	2.1
186.06714	1.8
187.03922	1.9
187.07600	1.2
188.04663	0.9
189.01973	0.7
189.05499	2.8
190.02638	3.7
191.03520	4.8
191.05122	0.8
192.00558	1.2
192.04185	2.6
193.05000	5.7
194.05353	2.7
197.06023	0.8
199.03906	1.2
199.07684	1.1
200.04672	0.9
200.08438	0.8
201.05547	1.5
201.09154	1.4
203.03441	1.3
204.00598	19.1
205.01266	6.0
205.05008	1.9
209.06073	0.9
211.07588	1.2
211.13330	4.1
213.05461	1.4
214.06326	1.0
215.07100	1.4
219.02916	3.0
225.01923	0.8
226.02644	0.9
227.03476	1.9
227.07190	1.0
229.08847	0.9
231.06625	1.2
232.07422	1.0
237.05658	1.0
239.03564	1.5
239.07066	1.2
241.01471	0.9
242.02072	1.4
243.10219	0.8
251.05579	14.4
251.08058	1.0
253.01425	2.0
254.02284	0.7
255.02846	1.7
255.06602	2.0
257.07916	0.8
269.00769	0.9
270.01706	1.6
282.01727	1.5
283.02475	1.3
284.03143	0.9
285.04074	1.6
290.08624	0.8
297.00360	1.0
298.01151	2.0
299.02032	2.7
299.05518	1.1
300.02713	1.1
301.10974	1.6
301.14392	1.3
311.01923	1.5
313.03558	6.6
313.14230	0.8
324.99857	2.1
326.00574	2.0
327.05273	1.7
328.05884	2.4
331.15634	0.9
341.02988	1.1
342.07397	2.9
343.08359	6.0
344.08542	0.8
346.14597	0.9
372.04950	1.0
373.03378	1.0
387.05042	0.9
399.05045	0.8
401.02759	1.7
414.03049	1.0
415.04401	1.8
429.02304	1.6
433.59094	0.8
443.04028	2.1
445.09103	1.4
447.18286	2.6
459.07236	1.9
461.08737	1.1
462.09610	1.0
473.08795	3.0
474.09616	2.6
479.09683	4.5
480.09726	1.4
487.10483	1.0
501.08374	1.1
502.08527	2.1
503.06500	1.3
505.11310	2.6
518.08411	1.9
521.20190	0.8
529.07324	3.9
530.08685	0.9
531.07422	2.4
531.08685	2.6
541.21655	1.0
546.08368	4.0
547.08643	0.9
557.20453	1.2
561.10474	16.4
561.22858	0.8
562.10449	2.8
563.08270	2.8
563.20959	1.1
575.21143	6.8
578.10699	1.5
593.13049	100.0
593.23193	6.1
594.13318	15.4
594.22235	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	593.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07421	0.5
57.03322	1.9
59.00879	1.2
59.01238	2.8
65.03846	3.1
69.75305	0.5
71.01257	3.3
71.31087	1.4
72.99169	0.6
75.00767	0.8
78.43705	0.6
85.02812	2.0
86.17229	0.6
87.00753	2.3
91.01812	0.8
91.05419	2.7
93.03336	2.7
95.01264	1.2
95.04916	0.7
101.02328	0.7
101.03851	1.9
107.04919	1.6
109.02856	1.0
111.00715	0.7
113.02312	1.9
117.03344	4.0
118.04113	0.7
119.04938	4.0
121.02869	1.8
123.00790	2.4
123.04434	3.9
124.01521	0.6
133.02875	1.7
134.03644	5.5
135.04434	26.1
136.04749	1.2
137.02354	2.4
145.02853	6.0
147.04413	0.7
148.01549	4.1
149.02507	0.7
149.05988	1.0
153.01813	1.0
160.01585	1.5
161.02365	8.3
163.03934	100.0
164.04253	5.2
167.03452	5.0
173.05852	0.7
175.03949	2.0
187.00331	2.2
189.01907	1.9
193.03275	1.0
193.04947	5.1
197.67532	0.7
207.02959	5.7
239.03473	1.1
241.01411	0.8
249.06136	1.5
256.03708	0.9
267.02924	1.2
267.07260	1.3
269.00961	1.2
283.02432	1.0
284.03375	1.8
285.04080	0.9
299.05594	0.7
311.01926	1.3
312.02875	2.6
313.03452	1.2
326.04651	0.7
327.05093	1.9
327.49088	0.6
328.05936	0.8
329.06891	0.8
341.07343	0.7
342.07587	6.4
343.08133	2.2
358.04855	0.7
383.07761	1.9
385.07388	1.4
401.06812	0.8
403.08133	1.5
413.06641	0.6
417.10403	9.2
418.10776	1.3
429.06329	2.1
443.11877	1.3
447.07303	1.0
449.14047	0.8
457.05655	3.6
461.13205	1.0
466.08951	3.6
472.08301	0.7
473.05066	0.7
475.06644	0.7
477.11957	2.4
487.10425	14.5
488.10760	3.6
501.04364	0.8
505.11469	43.0
506.11792	7.7
531.09344	20.8
532.09589	3.4
549.10388	16.7
550.10651	3.3
593.15057	3.6
594.16473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03162	2.3
54.37749	2.3
55.01756	2.3
55.91953	2.4
56.67314	2.2
59.01252	100.0
69.19623	26.1
71.01260	29.7
73.02821	7.3
74.48503	2.4
78.98475	3.0
80.96395	9.7
83.01251	2.8
85.02824	9.6
87.00764	17.0
87.34190	2.4
89.02325	20.2
96.95866	5.3
98.19775	4.8
99.00784	2.8
101.02322	17.6
113.02329	15.7
119.03384	5.0
121.02840	4.9
130.99722	3.2
132.84814	2.5
134.83633	2.5
135.04463	2.8
135.08002	2.3
137.02324	2.8
145.33537	2.8
147.04413	4.0
149.02339	3.5
149.05914	2.5
159.04448	2.9
161.04472	6.7
173.05998	4.7
175.97459	2.4
179.05528	4.3
191.03508	4.1
193.04961	3.2
201.09154	2.8
209.11722	2.8
211.13303	2.8
213.18590	3.3
215.07014	3.0
253.04990	7.9
255.10240	3.1
257.04056	2.7
343.28458	3.7
367.28558	3.2
487.32730	25.0
488.33261	7.8
505.33759	18.4
541.28882	2.2
559.21973	4.1
591.24860	27.6
591.32806	4.2
592.24982	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98702	100.0
62.98421	0.1
71.01250	0.7
73.02816	0.2
78.98450	0.3
79.95618	0.6
80.96385	3.5
85.02846	0.2
87.00751	3.8
94.97985	0.8
101.02337	0.3
121.02840	0.3
122.97459	0.1
125.02326	0.2
130.99730	1.1
134.97548	0.2
137.02341	0.7
146.03545	0.1
147.04488	0.5
148.99083	0.2
152.98570	0.3
159.04376	0.2
163.03926	0.5
164.98592	0.5
185.06059	0.1
187.03900	0.1
189.01776	0.1
192.04213	0.1
199.22800	0.1
211.13423	0.3
211.44075	0.1
214.06235	0.1
225.00645	1.2
243.10269	0.1
297.26303	0.1
316.23489	0.1
348.55508	0.2
382.12762	0.3
430.90219	0.1
453.83908	0.1
479.10052	0.4
499.09692	0.1
505.11578	0.2
509.55414	0.1
528.74292	0.1
531.09521	0.2
546.14545	0.1
548.25867	0.1
548.34680	0.2
577.51611	0.1
592.24701	0.3
593.26318	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	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43931	0.2
59.01248	0.6
61.98705	100.0
66.90156	0.2
71.01275	0.7
76.78143	0.2
79.95627	0.3
80.96387	2.1
85.02850	0.3
87.00751	1.8
93.03311	0.2
101.02330	0.5
112.98747	0.3
121.02854	0.4
130.99776	0.6
137.02335	1.4
147.04404	0.5
149.06107	0.3
163.03955	0.4
193.05017	0.3
201.09167	0.4
203.03389	0.2
209.11792	0.5
215.07074	0.2
225.00816	0.4
241.37086	0.2
243.10361	0.3
299.01932	0.2
364.20313	0.2
479.09808	0.5
505.11353	0.3
531.08966	0.2
592.25562	0.8
593.26233	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	593.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98747	0.4
58.68484	0.4
59.01257	4.0
61.98698	2.1
62.39818	0.5
63.65405	0.6
67.01772	1.1
68.85790	0.4
68.99694	0.6
69.03331	0.7
69.37303	1.4
69.37724	2.7
71.01250	2.7
72.99189	0.6
73.02813	0.6
75.00742	0.9
76.53128	0.4
76.53761	0.4
83.01247	1.1
85.02814	1.6
87.00746	2.8
89.02334	1.3
89.03838	1.2
93.03344	7.3
95.01263	0.6
99.00751	1.0
101.02314	1.0
102.27515	0.5
103.30435	0.5
105.03348	0.6
108.02048	4.1
109.02862	2.8
111.00742	1.7
111.04408	1.2
113.02334	1.0
117.03349	1.1
119.01222	0.5
119.04913	1.9
121.02834	1.4
123.00775	0.5
123.04382	1.2
125.02347	0.5
132.02028	0.6
133.02864	5.1
134.03596	1.1
137.02339	1.5
145.02844	1.8
147.04431	0.7
148.30902	0.5
149.02342	2.3
149.05997	1.6
150.03093	1.0
151.00243	0.9
151.03923	0.8
152.01074	6.1
153.01834	0.7
155.03310	0.6
159.00797	0.8
160.01546	0.7
161.02356	25.8
162.02753	0.8
163.00276	1.7
163.03941	2.5
165.05450	1.2
167.03395	0.9
169.01347	0.5
173.04468	8.6
174.03102	0.7
175.00256	0.5
175.03864	1.5
176.01062	0.7
177.01848	2.9
177.05508	0.6
180.04213	0.6
182.03720	0.8
187.00281	7.7
187.03899	0.6
189.01860	35.7
190.02206	2.3
190.06262	0.7
191.03465	0.5
191.05560	2.1
193.05002	1.5
195.06578	0.5
197.02380	1.0
197.05801	0.6
198.03172	0.8
199.03885	0.9
201.01862	0.7
205.01309	3.0
205.08464	0.6
211.03915	1.1
213.01816	0.5
223.06105	1.0
225.01923	0.7
225.05577	1.4
226.02719	3.4
226.06294	0.8
227.03433	2.6
227.06812	0.6
229.01344	0.8
239.03482	1.2
241.01367	1.1
241.08533	0.7
242.02097	1.7
243.02930	0.9
253.01413	1.4
254.02187	1.4
255.02971	3.1
267.02930	0.7
268.03799	0.7
269.00952	1.2
269.04065	0.6
270.01688	2.4
270.04681	0.5
271.02386	2.7
281.00870	1.4
282.01642	4.4
283.02393	1.2
284.03305	5.3
285.04007	2.3
291.03061	0.7
294.01749	0.6
295.02481	0.7
296.03189	0.6
297.00552	1.2
298.01093	3.8
299.01944	7.2
299.05634	4.5
300.02582	1.9
300.06223	1.6
309.00357	1.2
310.01184	9.3
311.01779	2.8
312.02844	1.9
313.03317	2.9
314.04297	1.8
317.04578	0.7
327.05133	1.2
328.05853	11.3
328.09677	0.8
329.06775	3.7
331.06305	1.0
341.04349	1.3
343.06082	1.1
347.46964	0.5
357.04022	0.7
359.05658	1.7
359.15057	3.2
361.03439	0.8
367.04510	2.1
371.05823	0.7
375.05048	1.2
386.04193	0.7
387.05011	2.2
389.10153	0.6
397.03384	0.8
403.04605	1.0
415.04556	2.8
419.00082	1.0
419.22870	1.1
429.10434	0.7
431.04102	0.9
441.02368	1.2
443.04034	2.6
445.09454	0.9
447.11557	3.7
449.05096	4.3
459.03668	2.5
469.02036	2.8
473.08881	2.6
484.04544	0.8
487.03122	3.8
488.03262	0.7
489.08334	4.9
490.08524	0.8
499.06650	1.2
502.05478	1.6
517.07758	100.0
518.08063	19.1
531.09430	1.2
543.05731	1.3
546.14557	0.6
549.10803	3.1
561.06744	5.5
562.07019	1.0
593.15460	5.7
593.25513	0.9
594.15558	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	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.6
62.76527	0.6
67.60476	0.8
69.23807	4.3
69.24236	3.4
71.01248	2.8
79.62609	0.9
85.02821	1.3
87.00761	1.9
89.02313	0.8
93.03334	1.2
95.01277	0.9
98.19832	1.4
101.02344	1.2
108.02072	1.4
109.02847	1.5
113.02319	1.7
119.04905	1.9
121.02843	3.6
122.03683	0.9
123.00786	2.5
123.04436	1.5
125.02327	1.1
134.03635	1.1
136.01566	45.8
137.02382	9.2
147.04472	0.8
149.02374	1.1
149.06044	1.5
151.00290	7.6
151.03917	62.4
152.00961	1.1
152.04337	3.4
159.04419	1.2
160.01547	0.8
161.02328	1.2
162.03047	1.0
163.03920	2.5
166.02632	31.3
167.03215	1.9
175.03914	2.3
175.07608	1.2
177.01822	1.6
177.05415	1.3
181.04993	34.8
182.05302	1.5
190.06165	1.2
191.03387	0.9
191.05476	1.1
193.04970	1.9
195.02861	1.0
205.04890	0.8
223.13379	2.1
267.12393	1.2
329.10214	1.4
343.08304	1.3
357.09790	13.7
358.10162	1.0
369.15451	1.1
372.12076	9.2
387.14505	100.0
388.14786	13.5
429.17630	2.7
445.11459	1.0
452.52286	0.8
529.59570	0.9
591.23944	4.2
592.23401	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	591.2617
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.98087	4.3
75.51501	0.8
76.52803	0.8
80.71754	0.9
90.65148	0.8
91.94611	1.1
98.19846	1.6
108.48740	0.9
362.58932	0.9
387.46417	1.0
443.22488	1.5
445.20120	3.2
454.84839	1.0
456.23648	1.3
459.21796	2.7
462.96094	0.9
471.26013	2.4
472.22760	1.2
473.23383	1.3
482.21152	1.4
485.19852	2.3
487.24860	2.9
497.23480	4.1
499.21371	3.9
500.22214	12.5
501.22522	2.6
515.24512	100.0
516.17859	0.7
516.24829	20.2
559.23462	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
57.85240	1.9
59.01252	100.0
61.68798	1.4
61.98706	2.7
68.57661	1.4
69.03319	1.6
69.28922	13.0
71.01254	18.6
72.99187	3.7
73.02809	5.8
75.00743	1.7
83.01259	6.6
85.02818	10.1
87.00739	12.6
89.02330	3.7
93.06977	2.0
95.01255	2.7
97.02808	1.5
99.00749	3.7
101.02311	13.2
109.02829	1.7
111.00755	2.2
113.02336	8.7
119.04898	2.0
121.02840	3.8
122.03687	2.3
125.02313	3.4
126.28465	1.4
130.99768	1.5
134.03679	1.9
135.04408	3.0
137.02361	3.2
146.03613	1.6
147.04408	9.1
148.04683	2.3
149.05988	2.1
159.04388	1.9
160.01653	2.1
161.04449	6.6
162.56529	1.6
164.04712	1.9
173.05940	1.9
175.03818	1.8
175.07582	1.7
191.03412	2.4
192.04158	1.8
193.04961	3.3
201.09026	1.8
211.13307	3.2
213.18428	3.6
225.05640	1.6
251.78035	1.8
311.80258	1.5
343.28647	1.7
357.22891	3.3
375.23944	9.2
387.18011	1.7
487.32782	45.7
488.33099	6.3
505.33850	23.4
506.33844	2.2
591.23309	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	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01249	8.7
71.01253	5.1
72.99172	0.9
73.02826	1.8
75.00710	0.5
83.01263	0.6
84.97566	0.4
85.02801	1.9
85.71094	0.4
87.00754	5.4
89.02304	2.7
89.03831	1.7
93.03349	0.4
95.01241	0.5
95.04880	0.5
99.00758	3.9
101.02304	2.3
108.02030	0.5
111.00761	0.5
113.02319	2.4
117.03353	5.7
119.03416	0.7
119.04900	1.3
121.02847	1.1
122.03634	0.9
122.06020	1.3
123.04420	0.9
125.02335	0.6
130.99768	0.5
131.03416	0.7
132.02061	2.8
133.02864	0.6
134.03632	78.9
135.04034	3.3
137.02376	2.0
139.03894	0.4
145.02875	0.7
147.04442	2.8
148.05142	0.7
149.02400	0.6
149.04350	0.6
149.04582	0.6
149.05983	10.0
150.05397	0.5
150.06453	0.5
151.03908	1.3
152.07063	2.0
152.25500	0.4
160.01578	7.7
161.04431	0.7
163.03886	2.1
169.14735	0.4
170.03355	0.4
171.10210	1.4
173.04453	0.8
175.03918	11.5
176.04387	0.7
178.02643	1.6
179.05519	0.5
187.03876	0.5
187.07584	0.4
188.04662	0.6
189.05577	0.5
191.03535	0.8
191.05502	1.0
192.04166	0.9
193.04996	100.0
194.05328	5.7
201.11253	0.9
211.04027	0.4
211.13377	0.6
215.07158	0.5
219.02798	0.6
237.03857	0.4
253.05049	0.6
255.05093	0.5
313.03757	0.7
323.10394	0.9
343.08109	0.7
353.11389	2.0
397.14832	1.0
415.16089	0.5
469.13568	0.5
513.13092	0.4
541.12817	2.8
542.12897	0.5
547.16907	0.5
573.15015	1.2
582.21875	0.8
582.72137	0.5
591.20032	2.2
592.20551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
57.16540	0.3
59.01252	7.4
61.66976	0.3
61.98689	0.4
71.01257	4.4
71.54530	0.5
71.86954	0.3
72.99170	0.8
73.02831	1.9
74.16415	0.3
75.00766	0.3
75.90156	0.3
83.01259	0.5
85.02834	2.5
87.00749	4.1
89.02318	2.9
89.03851	1.3
93.03358	0.9
95.01279	0.7
97.02849	0.3
99.00764	3.7
99.04372	0.4
101.02303	2.9
105.03434	0.3
106.04086	0.7
107.04938	0.3
107.78405	0.3
108.02074	0.5
109.02795	0.3
111.00807	0.5
113.02335	2.9
117.03352	5.3
119.03444	0.4
119.04918	1.7
121.02836	1.5
122.03661	0.7
123.04411	0.9
123.43588	0.3
125.02380	0.8
130.99782	0.8
131.03346	0.5
132.02097	2.2
133.02838	0.5
134.03635	75.8
135.04022	3.2
137.02312	1.8
139.03882	0.3
143.03389	0.4
145.02870	0.5
146.03625	0.5
147.00740	0.3
147.04439	2.8
148.05130	0.5
149.02274	0.5
149.04620	0.6
149.05994	9.0
150.06348	0.5
151.03911	1.3
152.07011	0.3
155.03380	0.4
159.04401	0.8
160.00244	0.5
160.01573	8.8
160.05217	0.3
161.02359	0.7
161.04466	0.8
161.05974	0.5
163.03908	2.1
164.04587	0.4
165.05482	0.5
171.10188	0.5
172.05249	0.3
173.04471	0.7
173.05963	0.4
174.03130	0.4
175.03926	12.4
175.07480	0.5
176.04294	0.7
177.01944	0.3
177.05563	0.3
178.02600	1.7
179.03290	0.4
181.08618	0.4
187.03844	0.6
189.05534	0.4
191.03365	0.4
191.05559	0.9
192.04260	0.6
193.04993	100.0
194.05328	6.2
194.06947	0.6
199.07571	0.4
201.05518	0.6
201.09125	0.4
201.11249	0.4
203.03366	0.3
203.07069	0.3
211.13348	0.7
214.02393	0.3
217.01242	0.3
217.04990	0.6
219.02904	0.5
249.04034	0.4
277.00458	0.4
283.06015	0.9
287.44400	0.4
313.03400	0.4
343.07864	0.4
397.14990	1.1
398.91245	0.3
415.16232	0.7
513.38690	0.4
531.27753	0.6
547.31244	0.4
582.21637	0.4
591.11572	0.6
591.20709	2.4
592.21796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01255	11.6
61.98720	1.0
71.01265	2.9
71.54918	1.2
73.02802	0.9
75.00735	1.8
85.02831	1.9
87.00762	6.0
89.02303	1.0
90.12288	0.9
93.03413	1.0
101.02325	2.4
107.96108	1.0
113.02351	2.1
121.02850	100.0
122.03188	3.7
125.02332	1.1
134.03619	3.1
137.02393	1.8
147.04446	3.4
160.01546	2.9
165.03963	1.7
173.06018	1.5
175.03918	4.3
191.03362	1.0
193.05025	3.0
207.06627	1.6
211.13281	1.5
341.17484	1.0
357.26413	2.7
491.37057	1.0
559.21564	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	591.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19714	0.5
59.01248	6.4
69.03307	0.5
69.45518	3.6
71.01254	8.4
72.99173	2.1
73.02832	2.1
85.02816	3.1
87.00765	2.3
89.02322	5.5
89.03851	1.3
93.03380	1.1
99.00780	3.4
101.02310	6.1
102.52529	0.6
109.02830	0.9
113.02320	5.9
117.03336	5.5
119.03384	1.7
121.02883	0.6
121.04953	2.7
132.02063	2.0
134.03633	78.9
135.03972	3.7
137.02344	1.8
139.03882	0.8
143.03448	1.5
149.04768	0.9
149.05992	8.2
153.01846	0.8
159.04547	0.7
160.01579	8.4
161.04462	2.1
163.03813	0.6
173.04582	0.8
175.03931	12.1
176.04268	1.0
178.02631	7.0
179.02972	0.8
179.05565	1.2
191.05516	1.5
193.04991	100.0
194.05301	5.5
203.05528	0.8
215.99934	0.6
235.08125	0.6
283.10364	4.1
297.07678	1.0
325.11414	1.4
388.30002	0.6
394.42950	0.6
397.13489	2.7
415.14548	4.3
496.87885	0.6
591.19666	5.1
592.19348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09380	2.5
53.39585	2.4
59.01252	22.6
61.98705	90.8
62.20094	2.7
70.68476	4.5
70.68848	5.0
71.01260	16.2
72.99190	5.9
73.02833	2.4
75.00757	11.0
78.95789	2.5
85.02821	13.0
87.00753	5.5
89.02321	5.6
95.01268	4.5
99.00764	8.6
103.79782	2.3
106.02217	2.6
112.88731	2.4
113.02342	20.2
115.00257	2.6
135.82159	2.1
142.60193	2.6
152.99483	4.4
249.06119	2.8
267.07162	6.0
277.21716	32.6
278.22095	3.3
279.23279	27.3
280.23474	3.0
303.89346	2.5
320.07123	2.4
378.01834	2.5
453.03534	2.7
516.30963	8.7
527.28644	100.0
528.28912	14.5
529.33228	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	591.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19196	2.4
54.08624	2.1
54.78525	2.0
55.02021	2.3
59.01242	5.0
70.54850	4.1
71.01267	2.2
71.02740	2.4
72.07227	2.0
87.00774	2.7
89.02356	2.6
99.00723	2.4
104.71977	2.5
105.52682	2.2
108.02061	10.0
109.02832	13.7
123.04405	8.5
127.66266	2.1
134.03625	4.4
146.03624	6.6
147.04417	10.3
158.03630	2.7
159.04428	92.2
159.05740	5.1
160.01660	2.6
160.05240	15.5
161.02316	2.7
161.05998	29.4
163.03931	3.3
171.04478	2.3
172.05283	3.5
173.02489	11.8
173.06004	31.4
175.03941	6.2
177.05429	4.1
185.02048	2.1
185.06123	3.0
186.01320	2.3
186.03012	3.0
187.03940	6.7
193.05048	3.9
199.03905	6.9
203.03427	8.1
204.04219	3.1
213.05513	2.5
217.01434	10.3
219.06810	2.4
223.15753	2.0
224.04851	2.5
225.09280	2.1
236.07896	2.6
239.07126	4.1
241.04994	13.6
242.05663	3.5
250.06250	4.2
251.07089	7.7
253.04993	4.1
256.07474	4.1
257.08203	2.9
261.05588	4.6
263.07047	7.3
263.86816	2.2
264.07837	4.8
265.04993	7.3
266.05795	10.4
267.06625	25.7
268.07126	4.5
277.05170	2.7
278.05789	5.8
279.06625	29.0
280.07437	14.1
281.08218	18.3
282.08954	59.0
283.09372	7.9
289.05057	6.6
289.97440	2.4
290.05844	5.5
291.06717	5.4
292.07275	3.6
292.46423	2.9
293.04428	2.6
295.09686	11.3
297.11322	100.0
298.11664	7.9
306.05307	4.7
307.06134	45.8
308.06870	42.0
309.07297	3.5
316.30942	2.2
321.07690	10.1
323.09232	73.1
324.09662	8.9
341.10269	63.5
342.10745	6.1
367.08261	38.3
368.08527	6.1
385.09286	41.7
386.09421	3.5
393.06119	16.3
411.07135	12.5
427.10236	3.3
429.08234	22.7
573.11981	3.4
591.13574	48.8
592.13910	10.2
593.96942	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	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
57.03310	0.2
59.01251	5.6
62.14366	0.1
69.41657	0.9
71.01260	2.2
72.99180	0.3
73.02818	1.0
83.01266	0.4
85.02815	1.2
87.00750	0.7
89.02348	0.3
93.03321	0.8
95.01261	0.3
97.02817	0.2
99.00770	0.6
101.02326	1.7
107.04922	0.2
113.02346	1.4
117.03352	6.5
118.03704	0.3
118.45325	0.2
119.04920	51.9
120.05260	2.5
121.02840	0.2
123.04345	0.2
123.29144	0.1
125.02383	0.2
135.04442	0.3
137.02315	0.2
145.02863	19.2
146.03223	0.8
147.04410	0.3
149.05971	0.2
159.02960	0.2
161.04486	0.6
163.03925	100.0
164.04254	5.4
193.04939	0.2
223.07631	0.2
269.10248	0.9
383.13565	1.1
401.14600	0.6
425.14871	0.2
443.15637	1.6
589.19373	2.3
590.20337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52007	0.6
55.36699	0.6
57.03309	0.7
59.01250	12.9
61.98699	1.1
71.01254	5.0
71.33689	0.5
71.54639	0.9
72.99194	0.6
73.02812	1.1
83.01260	1.0
85.02838	2.0
87.00751	11.9
89.02318	2.6
89.03838	0.7
91.05389	0.5
92.94085	0.6
93.03335	1.6
95.01266	0.8
95.04904	1.4
99.00801	1.0
101.02315	2.6
105.03347	2.0
107.86190	0.5
113.02332	2.2
117.03368	1.8
119.04923	2.4
121.02830	4.0
122.03626	1.8
123.04412	1.7
125.02337	1.0
130.99748	2.1
132.02074	24.9
133.02873	5.4
134.03632	31.1
135.04362	2.2
137.02330	3.6
139.03952	0.9
146.03574	0.9
147.04419	10.9
148.05144	2.3
149.02275	1.1
149.06000	7.2
159.04359	1.2
160.01573	100.0
161.01889	4.8
163.03918	2.4
165.05441	0.6
171.10257	0.7
173.04518	1.3
173.05956	1.1
174.04875	0.6
175.03929	98.1
176.04288	5.3
177.01877	1.3
187.03932	0.8
187.07527	1.2
189.01802	0.6
189.05603	0.9
191.03403	2.0
192.04189	3.3
193.05002	32.3
194.05380	1.9
201.05498	1.2
205.08632	4.1
209.11862	1.5
211.07556	0.9
211.13351	2.3
217.05070	0.8
217.08658	1.3
219.02982	0.9
243.10201	0.6
267.06882	1.0
297.14789	0.7
314.18689	0.6
317.36130	0.6
323.16626	0.6
343.08163	0.9
355.12152	1.1
370.14011	1.2
385.16522	7.9
386.16833	0.9
543.21423	0.9
558.72449	0.8
581.22498	1.3
581.31042	0.7
589.26575	72.2
590.26874	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69580	0.4
59.01239	0.4
61.98698	1.0
71.53564	0.6
72.99179	1.8
75.00749	100.0
76.01070	1.3
89.02332	0.5
91.56352	0.4
96.95904	0.5
105.93412	0.4
129.95734	0.4
137.02310	0.5
147.04475	0.6
171.39412	0.5
209.11533	0.4
250.47873	0.4
277.21802	1.2
320.75571	0.5
589.24768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	3.6
59.01252	50.0
60.01566	2.3
61.98673	2.8
65.60992	2.0
69.03310	3.5
71.01260	36.7
72.99178	6.8
73.02827	7.0
75.00753	20.6
85.02825	36.2
87.00761	21.4
89.02334	9.9
93.03338	5.8
95.01286	7.3
98.20504	5.3
99.00746	20.7
101.02328	5.9
103.00253	4.2
111.00804	3.2
113.02328	44.4
117.01800	2.9
117.03340	13.9
119.04910	42.0
120.05331	3.0
121.02809	2.7
130.99747	2.8
132.02097	3.0
134.03636	35.3
137.02342	2.9
145.02856	35.6
149.02332	2.9
149.06001	13.0
160.01550	15.4
161.02263	2.6
163.03918	50.0
170.81787	2.3
173.04475	7.3
175.02464	3.9
175.03920	20.3
179.03313	2.5
183.10223	6.9
187.03839	3.0
193.04951	30.1
194.05391	2.4
223.13301	3.2
249.06129	23.3
267.07178	93.6
268.07401	7.2
381.11758	4.2
395.09811	4.6
413.10886	88.1
414.11282	10.0
425.10840	7.5
443.11951	100.0
444.12183	13.1
553.13171	2.9
571.14551	3.9
589.07233	2.4
589.15704	65.4
589.25116	8.7
590.15985	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	589.156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91402	12.0
68.44289	14.2
69.47887	100.0
70.69331	11.6
79.53113	13.8
91.44241	12.6
120.50571	14.4
132.07208	12.6
177.05426	30.9
268.99435	14.3
326.56299	16.1
460.65497	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	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.3
56.41734	0.5
57.03326	3.9
57.86897	0.5
59.01252	17.2
59.01529	0.9
59.49463	0.6
64.98651	0.5
67.01791	0.7
68.99702	1.8
69.03350	1.7
71.01257	22.7
71.31573	0.5
72.99184	6.0
73.02839	1.4
75.00750	15.8
81.03383	0.7
83.01270	0.9
84.02096	0.6
85.02827	25.3
86.03211	0.8
87.00748	10.0
89.02319	6.2
89.03876	1.3
91.03895	0.7
93.03378	1.1
95.01262	5.3
99.00765	11.5
99.01347	0.7
101.02351	1.2
103.00245	3.3
111.00774	0.9
111.61403	0.6
112.01522	0.7
113.02337	33.1
113.78891	0.6
114.02669	0.6
114.64097	0.5
115.00289	2.0
117.01871	2.9
117.03355	16.0
117.04193	0.9
118.03737	1.0
119.04922	21.4
120.05283	1.4
121.02869	1.5
129.01866	2.2
132.02095	2.9
133.02870	3.6
134.03639	48.1
135.04370	2.4
137.02351	0.9
139.00346	0.7
144.77968	0.6
145.02869	34.4
146.03230	2.2
148.05211	0.7
149.06012	4.1
157.01372	1.4
157.88303	0.5
160.01584	10.0
160.02834	0.7
161.02367	2.5
162.86462	0.6
163.03931	23.4
164.04283	1.6
174.36987	0.5
175.02417	3.0
175.03987	9.4
176.04390	0.8
177.01826	1.0
178.02742	0.6
179.03453	1.9
193.03477	1.3
193.05003	27.8
194.05367	1.6
200.84853	0.6
205.07117	1.0
207.05151	1.2
231.05054	1.2
237.07689	1.2
249.06133	16.2
249.08539	1.1
252.06184	1.0
261.07709	1.0
267.07190	62.2
268.07513	4.0
321.19391	0.6
351.10770	4.4
377.08841	0.7
381.11899	4.6
395.09805	6.8
395.14490	0.8
396.10464	0.8
413.10919	41.8
414.11227	4.4
425.10910	5.3
443.11948	100.0
444.12289	11.4
571.14282	0.8
589.15613	29.3
590.15918	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	589.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55659	0.8
57.03315	2.8
59.01251	15.6
61.71759	0.9
61.98710	4.9
66.30193	1.0
68.99684	1.3
69.03316	1.9
69.49749	0.9
70.30640	3.2
71.00892	1.7
71.01259	19.3
72.99199	5.0
73.02802	1.7
75.00745	12.9
77.80990	0.9
85.02821	23.4
87.00748	8.5
89.02309	5.3
89.03856	1.4
90.73437	0.9
93.03342	1.2
95.01264	5.7
98.20474	0.9
99.00762	11.3
101.02378	1.1
103.00223	2.3
111.00734	1.4
113.02333	28.8
115.00265	1.5
115.94578	0.9
117.01849	3.3
117.03347	15.4
119.04925	20.5
120.05211	1.3
121.02792	1.0
129.01801	1.6
131.03378	1.1
133.02898	1.9
134.03639	50.4
135.04375	3.3
139.11177	1.5
145.02859	38.4
146.03171	1.2
149.05998	4.1
160.01543	6.5
161.02306	2.7
163.03926	19.5
175.02353	2.8
175.03926	8.1
179.03424	2.6
183.10196	3.9
193.03481	2.6
193.04994	31.6
194.05295	1.8
207.05156	1.2
249.06154	16.5
253.07315	1.0
261.07739	1.1
267.07187	55.8
268.07574	2.9
351.10837	3.8
381.11942	3.8
395.09860	7.1
413.10904	30.9
414.11203	3.4
425.10999	3.6
443.11945	100.0
444.12228	12.0
467.73172	1.1
589.15668	44.6
590.15991	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	587.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.2
57.72725	0.3
59.01253	7.4
61.98703	4.6
69.03346	0.3
69.21764	0.6
69.22172	1.8
71.01260	3.3
72.99197	0.6
73.02830	1.0
75.23215	0.3
83.01283	0.8
83.98621	0.2
85.02827	1.8
87.00758	6.8
89.02323	0.7
89.03825	1.3
93.03338	0.7
95.01295	0.4
95.04861	0.3
97.02834	0.3
99.00771	1.5
100.00314	0.3
101.02328	2.6
106.04150	0.7
108.05318	0.3
110.52275	0.2
111.04400	0.3
113.02330	2.2
117.03349	4.9
118.03759	0.3
119.04923	1.0
121.02872	0.6
123.04430	2.5
129.05551	0.2
130.99768	1.5
132.02052	2.1
132.86554	0.2
134.03633	80.9
135.03935	3.0
137.02359	1.5
139.03906	0.4
145.02824	0.7
146.03658	0.5
147.04445	2.3
148.05206	0.9
149.02354	0.5
149.05994	10.8
150.06340	0.8
155.03410	0.5
159.02956	0.4
159.04404	0.5
160.01567	8.7
161.01924	0.5
161.04483	1.6
163.03886	1.4
163.07585	0.6
164.04652	0.5
165.05444	0.8
173.06012	0.7
174.03087	0.5
175.03923	12.5
175.07516	0.4
176.04282	1.0
178.02631	1.5
185.06075	0.6
186.06812	0.4
187.07552	0.6
188.04666	0.5
189.05481	0.5
191.03394	0.5
191.05453	0.4
192.04124	0.4
193.04994	100.0
194.05348	5.2
195.02963	0.3
197.05972	0.4
199.07591	0.5
200.08412	0.3
201.01826	0.3
201.09138	0.7
203.07137	0.5
210.06503	0.3
214.06299	0.6
214.84842	0.2
215.07118	0.5
215.10834	0.3
217.04973	0.3
217.08612	0.6
219.02875	1.4
225.09166	0.7
237.04047	1.1
237.09746	2.7
243.10286	1.7
244.10532	0.3
245.08170	0.4
251.18665	0.2
252.02631	0.4
253.03442	0.3
254.04250	0.3
255.05135	1.7
261.04034	0.4
269.04541	0.3
269.08282	0.4
271.06186	0.4
279.10822	0.7
287.09335	0.4
313.07227	0.5
321.11908	0.5
331.08243	0.7
349.09427	1.4
350.09567	0.3
351.12659	1.0
358.06973	0.3
369.14136	0.5
393.13782	0.7
411.14883	1.9
423.15070	0.9
441.16119	1.2
543.15149	0.4
551.11945	0.8
569.13031	3.8
570.13422	0.8
587.12683	0.9
587.21161	3.6
588.13812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
59.00949	0.6
59.01250	9.3
59.01538	0.6
61.98704	5.7
64.61691	0.3
65.29064	0.3
71.01256	5.3
71.04906	1.1
72.99167	0.8
73.02806	2.0
75.00715	0.3
77.39225	0.3
81.03342	0.3
83.01259	0.9
85.02831	2.8
87.00752	12.9
88.01074	0.5
89.02319	1.8
89.03830	1.5
91.05413	0.3
93.03342	0.7
95.01254	0.6
96.14289	0.3
97.02853	0.7
99.00764	2.7
99.04403	0.8
101.02324	3.4
103.69516	0.4
106.04124	0.6
107.04925	0.3
108.02057	0.4
109.02847	0.6
111.00770	0.4
111.04458	0.4
113.02325	3.4
117.03346	5.0
119.04906	3.0
121.02863	0.9
121.06482	0.3
123.04419	3.7
124.01557	0.3
125.02344	0.7
130.99763	2.8
131.03459	0.2
132.02071	2.1
133.02823	0.4
134.03632	72.8
135.03926	2.8
137.02353	2.3
137.05974	0.7
139.03931	0.4
143.03409	0.5
145.02835	1.6
146.03612	0.7
147.04454	3.3
147.06485	1.4
148.05188	1.1
149.02412	0.5
149.05989	12.9
150.03192	0.4
150.06335	0.6
156.05690	0.3
159.02991	0.6
159.04420	0.8
160.01559	9.4
160.02827	0.5
160.05110	0.3
161.02002	0.5
161.04482	2.0
161.05814	0.5
162.03065	0.3
163.03899	4.4
163.07564	0.6
164.04639	0.9
165.05502	1.8
165.06664	0.3
167.03391	0.3
172.05028	0.3
173.04524	0.4
173.05959	1.5
174.03209	0.6
175.03922	14.3
175.07558	1.3
176.04340	0.7
178.02597	2.0
185.05936	0.9
185.07527	0.3
186.06796	0.6
187.03998	0.7
187.07591	1.3
188.04665	0.9
188.08347	0.4
189.05486	0.9
191.03397	0.9
191.05573	0.9
191.07182	0.6
192.04224	0.5
193.04990	100.0
194.05321	5.6
195.02872	0.4
196.05156	0.4
199.07552	1.0
201.05524	0.4
201.09138	1.1
202.06323	0.4
203.07048	0.8
203.10640	0.4
212.04828	0.3
213.09190	0.6
214.06345	0.6
215.07149	0.8
215.10739	0.5
217.01381	0.5
217.08731	0.8
218.02194	0.5
219.02908	2.2
223.07722	0.4
225.05389	0.4
225.09163	1.0
229.08688	0.4
231.06509	0.4
235.06071	0.4
237.03993	2.1
237.09778	2.4
241.08707	0.4
243.03191	0.4
243.10268	2.1
245.08055	0.6
252.02740	0.4
253.03471	0.7
254.04308	0.9
255.05043	2.6
261.04001	0.7
269.04544	0.5
269.08182	0.4
271.06076	0.4
273.07382	0.4
279.10843	0.8
287.09265	1.3
297.06052	1.4
309.11801	1.1
313.07138	0.9
321.11719	0.4
331.08228	1.4
349.09442	2.6
349.13635	0.5
350.10178	0.4
351.11047	1.1
358.06805	0.7
369.13916	0.5
393.13733	0.6
411.14886	1.6
423.15042	4.1
424.15866	0.3
441.10626	0.4
441.16144	4.5
442.16589	0.6
489.12036	0.4
507.12848	0.4
509.10803	0.5
525.14172	0.3
527.11908	0.4
533.11188	0.5
543.14288	0.7
545.18518	0.6
551.11523	1.4
552.12585	0.5
569.12811	7.6
570.12854	1.6
587.12933	2.2
587.21204	7.3
588.12469	0.5
588.21515	1.4
606.48822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81305	1.1
59.01246	3.3
61.98703	2.3
69.03314	0.9
69.45036	7.3
83.17624	0.9
85.02816	1.8
87.00751	100.0
88.01098	1.7
93.03344	2.1
93.77158	1.0
109.02852	2.5
119.04934	1.2
121.02841	3.2
122.03629	2.2
123.04410	11.2
129.03397	1.0
130.99760	19.1
133.02840	3.0
134.03632	1.5
135.04433	1.5
137.02338	26.4
137.03329	1.8
139.03928	8.8
145.02887	2.5
146.03693	1.3
147.04424	34.3
148.05217	19.8
149.05991	24.5
159.04477	2.8
161.02338	1.5
163.03918	4.4
164.04683	3.5
165.05458	3.0
172.05206	1.5
173.04500	1.9
173.05890	1.4
174.03157	1.0
175.03957	6.1
181.05035	2.5
187.03937	1.4
187.07507	1.2
188.04727	1.5
189.09071	1.8
190.02692	1.2
191.03439	3.4
192.04195	20.7
193.04990	11.9
197.05916	1.3
199.07535	1.9
207.02910	2.5
211.03865	0.9
211.07542	1.2
213.05547	1.8
214.06334	1.5
215.07022	1.2
215.10756	2.3
217.01390	1.8
217.08694	7.6
217.12402	1.0
218.02145	1.9
219.02969	19.6
220.03246	2.2
224.03220	2.4
225.09135	2.7
235.02354	1.5
236.03183	9.3
237.03993	5.2
240.04300	1.4
241.08675	2.2
242.09323	1.0
243.10207	10.4
251.07011	1.0
254.04306	4.7
255.05002	7.9
259.09653	2.2
261.11371	5.8
269.08310	1.1
287.09201	5.5
313.07251	2.6
331.08252	1.9
349.09293	32.9
350.09589	4.9
445.12537	1.4
551.11749	2.4
569.12970	29.9
570.13324	4.0
587.13971	19.1
587.22620	1.7
588.14496	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	585.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01256	5.0
61.98700	3.0
64.44249	0.3
67.01775	0.4
70.92140	0.6
71.01260	3.4
72.99186	1.3
73.02821	1.7
75.00737	0.5
85.02826	1.6
85.35583	0.3
87.00753	7.4
89.02316	2.8
89.03832	0.9
93.03338	14.2
95.01257	0.4
97.02818	0.4
99.00764	4.7
101.02319	2.0
108.02048	0.4
109.02824	0.8
113.02328	3.2
117.03342	4.5
119.04916	1.0
120.02841	0.3
120.70354	0.3
121.02838	0.6
122.03656	0.4
123.04442	1.5
124.01599	0.4
125.02365	0.9
130.99777	1.1
132.02077	1.7
133.02872	0.8
134.03639	65.3
135.04260	3.2
137.02348	45.9
138.02654	2.3
139.03952	0.4
145.02879	0.9
146.03593	0.6
147.04446	2.3
148.05241	0.9
149.02353	0.8
149.04514	0.9
149.05997	10.9
150.03180	0.7
150.06274	0.7
151.03825	0.4
153.01787	0.5
160.01584	8.1
161.02367	1.8
161.04488	0.8
163.03905	1.4
163.27420	0.3
165.05466	1.7
173.06052	0.3
175.03940	13.1
176.04305	0.9
177.01857	1.3
178.02631	2.7
178.99733	0.3
179.03421	2.4
187.03963	0.6
189.01913	0.5
191.03453	0.8
191.05522	1.2
192.04105	0.6
193.05011	100.0
194.05370	5.1
195.06532	0.4
197.06145	0.5
201.05626	0.4
202.06268	0.4
207.02916	0.3
215.07188	0.4
219.02983	2.4
223.07738	0.4
237.03935	2.5
239.07066	0.4
241.05017	0.6
241.08739	0.8
243.10365	0.4
249.05722	0.4
253.05182	0.6
255.04915	0.6
260.96921	0.4
267.06528	0.6
268.07364	0.7
269.08472	0.3
279.06369	0.4
283.05954	0.4
285.04407	0.4
291.06635	0.4
293.08246	0.9
311.09354	0.6
319.05850	0.5
381.13696	0.4
391.15909	0.9
405.14191	0.4
409.17316	0.5
461.12073	0.5
479.13525	0.7
497.14447	0.5
524.22998	0.4
537.21667	0.5
541.13867	1.7
542.13989	0.6
567.11279	1.9
568.11731	0.6
585.11157	0.7
585.21289	3.2
586.21887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05835	0.8
59.01253	5.0
61.98699	2.8
63.06528	0.9
64.09695	0.9
69.03309	1.5
70.37441	3.1
87.00757	100.0
88.01089	2.1
89.02325	1.1
93.03352	1.0
99.00755	2.1
109.02833	2.9
110.78381	1.0
121.02877	2.8
122.03646	2.3
123.04416	32.5
124.01534	2.1
124.04790	1.0
130.99770	36.6
134.03615	2.4
135.04439	1.2
137.02321	7.2
139.03928	1.5
145.02864	2.5
146.03633	2.0
147.04443	10.9
148.05241	4.7
149.06007	16.2
150.03081	2.0
152.44310	1.2
159.04445	1.9
161.02208	1.0
161.06059	1.0
163.03897	1.2
164.04652	1.1
165.05508	6.8
172.05194	2.0
173.05988	3.1
174.03021	1.4
175.03947	4.8
185.05962	2.8
187.03897	2.1
188.04681	2.9
191.03442	5.3
192.04189	1.7
193.04997	7.8
195.02942	5.0
196.05272	2.5
197.05946	3.4
199.07603	2.1
200.04686	3.7
200.08284	1.2
201.05373	2.2
201.09113	2.0
202.06169	1.7
210.06897	2.6
211.03931	2.3
211.07600	2.3
213.05540	2.8
213.09132	2.3
214.06291	7.4
215.07051	1.8
215.10741	5.8
217.08656	2.3
218.02141	2.0
219.02963	7.9
223.07597	1.1
225.09276	5.6
226.09813	1.9
227.07065	1.9
232.03682	1.6
237.03903	3.0
240.04245	3.4
241.08650	5.1
242.09399	1.3
243.10245	29.2
244.10550	2.8
254.04308	21.9
255.05084	24.0
259.09689	2.0
269.08163	2.9
270.08939	1.8
270.25458	1.2
287.09256	16.6
288.09744	2.8
295.06091	3.8
296.06934	1.4
313.07144	6.1
314.07599	1.3
331.08209	3.5
349.09192	3.8
459.68057	1.2
551.12042	3.5
552.12067	1.3
569.13116	22.8
570.13434	3.7
587.13934	15.5
588.14661	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	587.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64550	1.3
59.01245	4.9
61.98690	1.6
69.19254	16.4
73.78248	1.4
82.24099	1.4
87.00751	100.0
89.02359	2.2
93.03275	1.8
102.04007	1.8
108.02042	2.8
109.02840	2.2
113.02313	1.9
121.02849	4.5
121.06548	2.3
122.03628	3.5
123.04419	44.5
124.01518	1.8
124.04741	1.9
129.39018	1.4
130.99759	35.5
132.62656	1.5
134.03598	3.1
135.04390	2.8
137.02336	13.7
139.03908	5.0
145.02818	3.1
146.03638	3.1
147.04420	33.6
148.05232	16.7
148.75862	1.5
149.02336	1.9
149.05986	28.5
149.85899	1.5
150.03122	2.4
150.06335	4.1
159.04399	3.1
163.03929	2.7
165.05479	7.0
172.05176	3.8
173.02390	1.8
173.06041	2.8
174.03233	2.0
175.03944	7.7
185.06006	2.7
187.03947	5.3
191.03484	4.4
192.04166	10.4
193.04964	12.6
195.02948	4.4
197.06004	4.0
199.07535	2.9
200.04703	2.6
209.06006	2.2
210.06815	1.6
211.03996	3.0
211.07629	1.8
212.04543	1.8
213.05492	5.2
213.09079	2.8
214.06306	9.7
214.09689	1.8
215.10748	8.0
217.08664	2.7
219.02950	21.1
225.09175	6.7
226.09685	2.6
227.07069	3.0
236.03218	4.0
237.04044	3.9
240.04172	5.2
241.08684	6.6
243.10196	21.7
244.10516	4.5
253.03397	1.9
254.04317	17.8
255.05072	30.3
269.08023	2.9
287.09308	19.3
288.09592	2.9
295.06158	2.7
313.07083	10.7
314.07785	2.3
331.08224	6.0
349.09283	20.0
350.09705	3.2
462.76877	1.7
551.12012	4.2
552.12024	3.1
569.13098	31.9
570.13495	7.6
587.14032	27.0
588.14447	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	585.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22032	0.9
53.76680	0.9
59.01249	4.3
61.98700	5.0
63.12266	1.1
71.01255	2.0
73.64556	0.9
76.83845	1.0
85.02846	1.0
87.00754	34.6
93.03336	1.1
106.04191	1.0
108.02058	2.3
109.02830	2.3
119.04919	4.5
121.02827	1.5
121.06461	1.3
123.04405	5.4
130.04158	1.7
130.99757	2.8
131.04932	2.4
134.03650	2.8
137.02385	3.2
145.02847	4.6
146.03645	1.4
147.04428	41.7
148.05257	6.1
149.05989	84.7
150.06319	3.9
159.04338	2.1
161.02409	1.8
162.03175	2.3
163.03903	4.2
165.03995	2.6
165.05515	4.0
174.03127	4.4
175.03926	74.7
176.04297	4.8
177.01852	8.2
177.05475	1.2
187.03894	2.6
188.04723	3.1
191.03456	1.5
192.04213	1.5
193.04996	36.7
193.06754	2.0
194.05353	2.2
197.06139	1.5
201.09149	1.2
204.04224	1.5
211.07626	1.1
212.04726	1.7
212.39117	1.1
214.06334	2.0
215.07098	5.8
216.07510	1.2
217.01376	9.2
217.08760	1.2
218.02104	4.2
219.02940	100.0
220.03192	5.8
225.05457	2.1
237.04010	62.0
238.04381	4.4
239.07178	2.5
241.08669	8.6
250.67490	1.1
253.05022	1.5
257.08136	3.8
259.09787	2.7
267.06705	4.4
268.07288	1.8
269.08005	1.5
285.07712	2.4
289.07248	1.1
293.08310	1.4
303.08658	1.6
311.05789	1.7
329.06653	3.2
347.07657	1.7
444.06894	1.2
567.11407	19.0
568.11841	2.8
585.12445	33.0
586.12500	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	585.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01260	10.2
60.16967	1.0
60.19662	1.1
61.98711	14.6
69.09306	0.9
69.26181	9.4
71.01252	4.4
71.70353	0.9
72.99171	1.1
73.02818	2.0
83.01235	1.6
85.02798	1.9
87.00760	74.5
91.05400	1.0
93.03320	4.3
99.00743	2.3
101.02311	1.0
107.04939	1.3
107.84901	1.1
108.02023	3.0
109.02805	3.8
112.98698	1.7
113.02348	1.9
118.74791	1.0
119.04948	4.9
121.02849	2.4
121.06418	1.4
122.03593	2.6
123.04408	10.1
125.02287	1.6
130.04126	1.6
130.99754	11.0
131.04912	2.5
133.02855	1.2
134.03629	2.8
135.04382	1.9
137.02336	11.8
139.03877	1.9
141.27271	1.0
145.02863	8.8
146.03606	3.8
147.04430	46.8
148.05243	9.6
149.05997	100.0
150.03108	2.3
150.06305	4.5
151.03773	1.2
152.01080	1.4
158.03590	1.6
159.04413	3.2
160.01639	1.5
161.02315	4.3
162.03088	3.1
163.03978	5.4
165.05516	7.7
173.02321	1.6
173.04535	1.3
173.05975	2.2
174.03181	6.1
175.03934	78.4
176.04329	4.9
177.01904	8.1
178.02600	1.1
179.03365	1.0
183.04404	1.2
187.03894	4.2
187.07578	1.3
188.04614	3.8
189.01888	1.6
189.05536	1.5
191.03377	3.0
191.05441	1.6
192.04135	1.5
193.05003	42.9
194.05276	2.6
197.05965	2.0
199.07529	1.7
200.04778	1.5
201.05495	2.7
201.09116	1.3
202.06271	1.4
203.03384	2.0
204.04153	2.5
209.06035	1.2
211.03951	2.0
211.07608	2.2
212.04710	2.4
213.05530	1.3
213.09206	1.3
214.06276	1.5
215.03354	1.0
215.07097	5.3
217.01408	9.7
218.02109	4.8
219.02959	82.6
220.03258	4.3
223.07594	2.2
225.05411	4.4
226.06142	2.5
227.03320	1.9
227.06984	1.3
229.08548	1.5
231.10202	1.4
237.04024	66.5
238.04338	2.9
239.07112	5.4
240.04344	2.2
240.07758	1.1
241.05035	4.6
241.08717	8.3
242.05670	1.3
249.05455	2.1
250.06174	1.3
251.07133	2.3
253.04909	2.8
254.04150	1.4
255.04947	2.0
257.08112	3.5
259.09680	3.3
265.04932	2.4
266.05743	2.0
267.06671	15.0
268.07419	5.1
269.07996	5.1
273.07727	2.0
275.09305	1.4
277.04785	1.1
278.05881	1.5
279.06247	1.2
281.04398	2.2
282.05267	1.1
283.06171	1.4
284.03165	3.5
285.07559	2.5
292.07211	1.3
293.04657	2.1
293.08029	3.3
294.05179	3.5
294.08661	2.1
295.05933	1.2
296.06821	1.3
297.07297	1.4
300.06351	1.6
303.08585	1.6
311.05524	2.7
311.09186	4.6
312.06235	3.4
313.03522	1.3
325.03397	1.6
329.06799	7.4
330.07596	1.1
337.07382	1.5
338.04428	5.6
343.08157	1.4
347.07486	1.9
364.05902	1.1
370.03516	1.1
382.07166	1.1
443.05933	4.1
444.06952	5.3
470.04681	1.9
488.05878	3.2
531.08636	1.3
541.13245	3.4
567.11407	27.2
568.11743	5.5
585.12354	35.6
585.27545	1.4
586.13074	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92313	0.4
55.69599	0.4
59.01241	0.9
61.98702	0.4
63.96101	1.2
69.03323	0.8
69.39031	2.1
69.39455	1.1
71.01255	7.3
73.02824	2.0
78.98464	6.7
79.95609	10.9
80.96390	71.0
81.03300	0.9
81.96307	0.3
83.01256	0.6
85.02816	2.8
87.00752	2.7
93.82899	0.3
94.10207	0.3
94.97960	17.1
95.72307	0.4
96.42439	0.4
96.95905	1.2
97.02842	1.7
98.19844	0.7
99.00758	0.6
101.02315	3.5
106.97966	3.6
122.97470	6.0
125.02355	2.8
127.03884	0.7
134.97476	5.3
136.99043	1.3
140.45845	0.4
148.99054	6.2
152.98541	8.9
164.98546	12.3
167.00133	0.5
181.33031	0.4
182.99603	2.7
206.99661	2.8
225.00691	18.6
226.01054	1.0
243.01799	1.7
281.24857	3.6
299.04401	4.1
398.73050	0.4
402.51050	0.4
581.29993	100.0
582.30316	16.6
582.39709	0.8
590.68335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03609	0.3
59.01250	0.8
61.98705	100.0
68.72590	0.2
71.53252	0.2
71.53661	0.4
78.95799	0.5
80.96399	0.6
82.95973	1.0
82.96832	0.3
93.17497	0.2
94.25708	0.2
96.95898	0.4
102.21584	0.3
130.22775	0.2
152.99597	0.3
168.91324	0.2
197.45332	0.2
203.61108	0.2
265.66962	0.2
275.80524	0.2
279.23309	2.3
280.23697	1.7
281.24051	0.7
282.24197	0.4
307.53836	0.2
490.02344	0.3
504.31290	0.4
505.30905	0.3
507.32181	0.8
581.27332	2.5
582.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.0
71.01237	7.2
71.52689	1.6
73.02819	2.3
78.14428	1.6
85.02817	3.3
87.00748	3.7
93.11802	1.9
96.95908	1.6
99.00805	2.2
101.02312	2.2
105.06342	1.8
106.37714	1.7
108.02052	46.4
109.02842	34.9
113.02363	2.0
125.84393	1.6
150.22653	1.8
151.03909	4.0
152.01065	100.0
153.01859	40.7
154.02205	2.4
161.04413	3.8
163.03860	4.7
165.74931	2.0
177.01855	3.3
193.05009	2.1
194.95238	1.7
199.04053	1.9
220.22725	1.8
260.29572	1.9
307.87854	2.0
315.06961	2.0
429.10159	5.9
447.11478	27.4
448.11588	3.2
539.14001	3.6
583.13086	95.6
584.13568	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41029	0.3
57.03314	0.3
58.38371	0.3
58.60150	0.3
59.01255	0.5
62.61349	0.4
63.96113	1.3
68.43620	0.3
69.03317	0.7
71.01258	7.1
71.29788	0.9
73.02809	1.4
78.98467	5.3
79.95605	10.2
80.96393	67.6
81.03324	0.8
85.02834	2.8
87.00752	2.7
91.03893	0.4
94.97960	16.5
96.95889	1.1
97.02840	1.4
99.00773	0.8
101.02325	2.2
106.97948	3.1
122.97478	2.6
125.02344	2.3
127.03882	0.8
134.97484	4.7
136.99046	1.4
146.97446	0.4
148.99048	5.7
150.27211	0.3
152.98538	4.9
164.98552	10.5
206.99606	2.2
225.00713	13.0
226.01089	0.9
283.26477	2.3
290.22708	0.3
299.04361	2.7
578.26392	0.4
583.31555	100.0
584.31915	19.5
584.41339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50650	46.4
54.97880	37.2
62.01985	35.8
62.33125	40.4
71.52123	62.7
89.07875	39.4
116.84097	44.8
164.61954	48.2
239.05621	100.0
369.40134	44.6
429.06802	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01249	4.8
59.72528	0.5
61.98693	0.4
65.81805	0.4
69.36195	3.4
71.01252	4.8
71.88291	0.5
73.02838	0.5
85.02832	1.9
87.00758	2.1
89.02314	1.9
89.03890	0.5
93.03339	0.5
95.01231	0.7
98.19799	0.9
99.00768	0.5
99.04330	0.7
101.02330	2.1
101.05968	0.6
101.21445	0.4
108.02055	0.6
109.02831	0.7
111.00698	0.7
113.02342	1.3
117.03349	2.2
119.04878	0.9
121.02870	0.8
123.08035	0.8
124.01546	0.5
125.02320	1.5
132.02063	16.1
133.02792	1.6
134.03633	38.1
135.04054	2.1
136.01570	0.5
137.02347	1.7
138.06746	0.4
138.72066	0.4
141.09111	2.5
146.03610	0.6
147.04448	1.1
148.05205	0.6
149.06007	7.7
150.03137	0.5
150.06303	0.5
152.01018	0.6
160.01572	74.9
161.01913	4.1
163.03893	0.6
168.00546	1.3
173.04561	0.8
175.03926	91.9
176.04279	5.4
177.05534	0.5
178.02690	0.9
179.03448	1.9
186.86165	0.6
191.05426	0.8
191.07066	1.6
192.04227	0.6
193.04996	40.9
194.05339	2.9
203.03423	0.5
207.06635	0.7
221.04475	0.7
235.05966	2.9
241.82303	0.4
242.07033	0.5
243.06528	0.9
243.15967	1.9
251.05484	0.6
254.72771	0.4
265.07248	0.7
265.15387	0.5
281.06586	0.4
295.08228	0.6
307.40283	0.5
337.09225	0.9
341.09198	0.4
465.11734	0.7
581.26068	100.0
582.26447	19.2
582.35699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36446	0.8
55.01768	1.5
57.03320	2.7
59.01254	25.6
61.98692	3.3
68.68913	0.7
68.99644	0.8
71.01258	18.1
72.99187	2.8
73.02831	4.0
74.03674	0.8
74.11711	1.0
75.00740	4.3
75.46007	0.9
78.95789	4.5
83.01268	2.6
85.02819	9.6
87.00755	10.7
89.02321	10.6
89.03840	1.1
93.03342	5.0
95.01308	1.9
97.02885	0.8
98.19827	1.7
99.00762	3.3
101.02322	11.2
101.05960	0.9
108.02039	4.5
108.46532	0.9
109.02865	4.3
111.00753	0.9
113.02338	8.7
117.03348	3.6
119.03416	2.2
119.04893	4.9
121.02854	3.0
121.06458	1.2
122.03638	1.0
123.00799	2.0
123.04408	4.2
124.01558	1.8
125.02335	3.9
125.64206	0.8
132.02066	13.9
132.02985	1.2
133.02859	11.9
134.03648	33.9
134.04608	2.2
135.04387	3.7
136.01605	1.0
137.02382	5.0
138.01878	2.0
139.03955	1.0
141.09099	2.0
145.02827	1.6
146.03616	1.3
147.04410	7.3
148.01558	1.0
148.05136	1.3
149.02345	1.6
149.04779	1.1
149.06007	11.1
150.03070	1.1
151.00285	2.8
151.03914	3.7
152.01117	5.2
153.01843	2.0
159.04414	2.1
160.01573	68.5
161.02359	5.8
161.04486	2.6
162.03101	1.3
163.03914	6.7
165.04001	1.0
165.05502	1.2
167.03418	4.6
169.01146	1.1
173.04498	3.4
173.05920	1.5
175.03926	80.4
176.04321	6.3
177.01849	3.1
177.05461	1.1
178.02597	1.7
179.03445	1.8
179.05522	2.1
187.03888	1.4
187.07672	1.3
188.04707	0.9
189.01833	5.4
189.05466	1.1
190.02649	3.3
191.03447	16.3
191.05511	4.0
191.07109	3.4
192.04015	1.7
193.04990	36.8
193.06790	1.8
194.05341	2.4
201.05533	1.3
203.03398	0.9
205.01416	2.7
207.06599	1.6
209.04564	1.4
211.03914	0.9
211.13324	1.8
217.05070	1.1
219.02988	2.0
220.07352	0.9
221.04485	1.4
225.05424	0.9
227.03558	1.2
229.18033	1.4
234.63104	0.8
235.06053	6.2
237.03905	1.1
243.02858	0.9
243.16054	1.9
251.07156	7.1
253.18135	1.2
261.05630	1.1
267.07043	1.7
270.01816	0.8
271.19150	1.9
279.06702	1.8
287.09396	2.4
291.16211	0.9
295.08313	2.5
297.07666	24.7
298.07999	2.9
299.05380	0.9
300.02716	0.9
307.06351	1.2
314.19403	0.9
315.08661	3.4
327.16113	1.2
333.16757	0.9
345.10092	1.3
345.17194	1.9
359.27939	3.8
363.18243	1.9
371.15143	1.0
407.17154	1.1
417.11893	4.6
433.24451	8.2
435.13211	2.2
443.12241	1.5
461.13281	0.8
493.11697	2.7
514.68732	0.8
521.33380	17.9
522.33844	2.6
532.92883	0.9
537.13019	1.0
538.10150	1.2
549.09863	1.5
581.26270	100.0
581.34851	4.4
582.26587	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86953	0.3
59.01252	14.6
61.98691	1.2
70.72108	0.8
71.00866	0.3
71.01232	1.4
73.02827	0.4
78.95317	0.6
78.95776	10.1
78.98466	0.9
79.95621	1.3
80.96392	9.6
82.95963	0.8
85.02841	0.5
94.97975	2.0
96.95875	0.5
96.97543	0.4
99.92440	0.8
101.02336	0.4
106.98000	0.5
110.92766	0.3
115.91990	1.9
116.50979	0.3
116.92752	1.7
120.27544	0.3
122.97466	0.5
125.02321	0.4
134.69653	0.3
134.97491	0.6
148.99049	0.9
152.98505	0.3
152.99522	2.6
164.98569	1.7
168.04214	1.3
171.00549	0.6
179.89128	1.8
180.89886	1.2
196.89406	2.6
205.90779	0.3
208.70499	0.3
224.06940	0.8
225.00711	1.6
226.00899	0.7
235.91751	0.7
236.92593	1.3
242.07986	2.3
281.24854	100.0
282.22037	0.4
282.25204	9.7
506.32492	24.7
507.32907	4.0
580.28717	14.7
581.18213	3.5
581.28546	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	581.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01516	1.1
55.01748	1.4
57.03325	1.6
59.01249	17.6
61.98701	4.4
69.03342	0.9
69.31581	8.3
70.93652	1.0
71.01257	7.5
72.99187	1.9
73.02820	2.3
75.00741	2.0
85.02818	3.7
87.00760	11.3
89.02328	2.8
93.03300	1.5
95.04954	1.0
99.00748	1.8
101.02326	1.9
104.94935	0.8
105.03394	1.1
108.02072	1.6
109.02859	2.8
110.00015	1.1
113.02329	3.1
119.04938	1.8
121.02898	1.9
123.00773	1.0
123.04401	1.8
124.01519	0.9
125.02320	2.7
125.39037	0.9
132.02034	4.0
133.02821	1.4
133.06577	1.9
134.03635	13.1
134.04608	0.9
135.04366	1.6
137.02339	3.4
139.53133	0.8
145.02759	1.0
146.03566	1.4
147.00894	1.0
147.04424	5.0
148.01541	1.0
149.02390	1.1
149.05989	12.6
150.06310	1.1
151.00262	1.5
151.03954	1.1
152.00928	1.4
155.07106	0.8
159.04482	2.5
160.01575	18.5
161.02271	1.7
161.04475	1.2
162.03163	1.7
163.03880	3.1
165.03925	1.1
167.10599	1.7
173.04533	1.3
173.05951	1.7
175.02492	1.6
175.03925	18.8
176.04553	3.0
177.01823	2.2
177.05502	2.5
178.02544	0.9
184.99713	0.9
186.84537	0.9
187.03926	1.1
188.04541	1.0
189.01997	1.1
191.03519	2.2
191.05510	2.5
191.07100	2.2
192.04123	1.7
193.04999	18.4
200.04691	0.9
203.03374	1.6
211.03922	1.2
211.07503	1.1
215.03401	1.1
215.07143	1.2
217.04980	1.6
227.03357	1.6
227.07022	1.6
228.04126	4.7
229.04959	1.1
235.06119	6.2
237.04007	2.8
238.06242	1.2
240.04085	1.3
241.05113	1.0
252.04112	1.2
254.05766	2.2
255.02885	1.6
255.06532	1.2
256.03683	1.5
257.04593	1.7
267.07071	1.8
269.01221	1.0
270.05225	1.5
278.05603	1.1
280.03870	1.2
283.06277	1.3
284.03250	2.9
285.03842	2.0
295.02487	1.2
295.08527	1.3
297.03799	1.1
298.04898	1.7
299.05527	2.9
304.07385	1.7
307.06183	1.5
312.02646	4.4
313.03482	2.2
314.08139	1.9
315.06946	2.7
316.07196	1.1
327.05066	2.8
328.05844	1.9
331.06174	1.3
332.06912	1.2
342.07547	11.0
343.08072	3.8
346.04959	1.0
357.07642	2.3
358.04547	1.8
358.08459	1.2
359.05496	1.7
360.06247	1.2
384.06223	1.4
385.07126	1.8
386.04041	1.3
387.04926	2.1
401.06454	5.7
402.07224	2.0
403.08640	1.3
413.06461	1.8
416.09113	2.0
417.09982	1.6
419.07614	13.9
419.12680	1.4
420.08188	2.2
427.08038	1.4
429.06052	2.5
431.11536	2.1
433.09393	3.9
434.10083	2.5
441.10519	1.2
443.07379	2.2
445.09393	5.4
446.09402	1.1
449.12405	30.4
450.12894	6.1
459.10641	2.1
461.08472	5.2
462.09070	1.3
471.06985	1.6
473.12344	1.4
475.14719	1.2
487.09967	1.4
489.08139	2.1
489.23376	3.1
491.13443	12.7
492.13681	1.4
501.11862	1.8
503.09796	1.6
507.24664	1.6
515.06274	4.6
519.12964	22.5
520.13483	2.6
521.10901	29.5
521.33087	2.1
522.11639	4.4
545.10852	29.1
545.18896	2.0
546.11340	4.6
563.11865	28.8
564.12000	6.1
580.34186	2.0
581.12988	100.0
581.25970	24.1
581.35413	7.6
582.13391	19.8
582.26196	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74729	0.4
59.01242	1.5
63.96112	1.4
69.03329	1.1
71.01245	8.0
73.02821	1.8
78.95745	0.5
78.98467	6.7
79.95602	11.2
80.96394	71.0
81.03333	0.8
85.02827	2.7
87.00751	2.7
94.97962	16.8
94.98578	0.9
95.01263	0.5
96.95888	4.3
97.02834	1.6
99.00742	0.5
101.02320	2.5
106.97969	3.3
111.54861	0.5
113.02369	0.6
122.97478	2.2
125.02345	3.5
134.97487	5.5
136.99045	1.6
148.99048	5.6
152.98544	4.7
164.98552	12.4
167.00069	0.7
185.88741	0.4
206.99644	2.6
225.00706	13.7
226.00996	0.5
253.58047	0.5
255.23224	0.6
268.03531	0.5
279.23318	2.4
283.55115	0.5
299.04471	3.1
315.69568	0.5
535.11847	1.0
579.28442	100.0
580.28741	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	579.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
57.03304	1.0
58.00449	1.4
59.01252	18.9
69.03336	1.1
71.01257	14.7
71.52920	1.0
72.99177	1.6
73.02797	2.9
75.00735	2.2
83.01228	3.0
84.02021	1.1
85.02834	5.5
87.00737	3.1
89.02319	9.2
93.03320	1.4
95.01260	2.0
99.00737	1.8
99.53994	0.7
101.02325	6.7
107.04900	0.9
108.02019	1.3
109.02815	2.9
113.02352	5.7
117.03280	1.9
119.03369	3.9
119.04916	1.2
121.02843	8.3
123.04386	2.3
124.01501	1.2
125.02312	1.7
132.02075	18.7
133.02798	3.4
134.03644	23.2
135.04366	1.6
136.01503	1.8
136.03592	1.0
137.02335	4.0
139.00256	1.1
139.03807	0.9
145.02931	0.8
147.04391	1.6
149.02309	3.3
149.05988	6.1
151.00230	1.4
151.03867	1.7
152.01025	0.9
153.01785	3.3
159.04425	0.8
160.01573	90.9
161.01970	5.6
161.04411	1.6
163.00233	1.5
163.03865	1.4
165.01808	2.2
166.02541	2.3
166.05035	1.0
167.03430	1.8
173.04454	1.6
175.03928	100.0
176.01019	1.2
176.04285	7.2
177.01811	2.9
177.05521	0.9
177.12794	1.5
178.99818	1.1
179.03345	1.6
179.10542	1.1
180.23666	0.8
189.01813	1.4
191.03487	1.2
191.05460	1.7
191.07014	2.4
193.01253	2.6
193.04973	24.9
194.02084	2.0
194.05367	1.7
204.00551	1.0
205.01373	4.0
205.12289	5.1
207.06467	1.1
219.02881	1.2
221.00745	3.0
223.13351	5.3
224.03133	1.3
227.03383	2.2
227.90399	0.9
235.06033	6.5
239.03221	1.0
241.04829	1.0
251.01764	0.8
255.02998	6.0
258.24417	0.9
265.07236	1.6
284.03320	6.1
285.03690	2.4
285.07291	1.1
295.08099	1.4
313.03302	1.7
313.07007	1.2
337.09283	6.4
343.08139	1.2
441.11807	7.8
442.12051	1.3
459.12866	11.3
460.13239	2.0
471.12778	3.0
472.12329	1.0
489.13885	3.1
503.09518	1.4
504.10046	1.0
519.31390	3.8
535.10638	1.1
547.08923	3.3
561.15833	5.0
579.16553	5.0
579.24268	86.5
580.17004	1.0
580.24603	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	579.3387
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
55.01752	0.9
57.03315	1.0
58.00470	2.9
59.01253	51.0
61.98678	0.8
66.31867	0.6
69.03328	0.9
71.01257	47.4
71.53200	0.9
72.01594	0.6
72.99173	3.7
73.02816	2.0
78.95762	1.4
79.95608	0.9
80.96390	1.2
83.01257	5.3
85.02827	8.7
87.00756	17.5
89.02320	55.1
89.92657	0.5
90.02658	1.1
95.01262	2.6
96.95895	8.5
97.02830	1.6
99.00765	1.7
101.02331	22.9
108.34660	0.6
111.00757	1.1
113.02334	22.3
115.03988	0.6
119.03388	18.2
120.03827	0.9
125.02332	1.5
129.01834	0.7
131.03430	2.8
138.07684	0.5
141.01901	1.1
143.03413	7.6
149.04488	1.5
161.04454	8.3
179.05533	15.7
203.05582	0.6
209.11757	0.7
251.23917	0.6
255.23283	100.0
256.23608	9.1
267.23367	0.8
269.24863	11.3
270.25159	1.1
279.23187	1.2
281.24847	1.3
297.24329	3.9
313.23685	0.9
323.09903	10.6
324.10220	0.8
341.10883	33.8
342.11230	2.4
491.12271	1.0
505.07043	1.0
535.11664	4.0
536.11627	0.8
579.34454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89657	0.3
59.01255	0.6
61.98703	100.0
71.53211	0.4
78.95782	0.3
106.59579	0.3
111.52629	0.2
114.83825	0.2
122.54562	0.3
124.34261	0.3
147.04457	0.5
152.99524	0.6
227.03493	0.3
255.03084	0.5
277.21692	1.9
278.22186	1.0
279.22293	0.4
280.22635	0.3
284.03336	0.9
422.83878	0.3
461.07980	0.7
491.12558	0.8
502.29639	0.6
505.06827	0.5
505.29944	0.4
533.11273	0.4
534.11658	0.4
535.11597	3.6
536.12402	0.4
579.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04608	1.1
58.70928	1.4
59.01247	5.2
69.21832	7.3
69.22254	6.1
71.01263	3.7
75.74099	1.4
85.02800	1.7
87.00760	31.4
88.01135	1.4
91.30750	1.2
101.02310	1.7
108.02051	1.8
108.09854	1.2
109.02838	2.4
111.00758	1.8
116.92688	1.4
119.04935	1.8
121.02833	4.3
122.03615	3.0
124.01573	9.1
129.81262	1.3
130.04140	1.5
130.99745	4.5
135.04395	1.4
136.01556	2.2
137.02351	16.7
138.03082	2.8
139.03912	4.7
146.03674	2.4
147.04424	5.0
148.05194	2.4
149.02347	23.0
149.05994	3.0
150.03143	55.3
151.03925	10.0
159.04407	3.3
162.03119	4.1
163.03920	6.5
163.39027	1.3
165.05496	20.5
173.06018	2.5
174.03046	1.4
175.07576	3.7
177.05513	2.7
178.05975	1.4
179.07098	3.6
185.06146	1.8
191.03374	2.3
192.04317	2.0
193.04849	1.5
198.05423	1.7
199.07439	1.6
201.05528	1.6
209.11905	1.5
211.13393	5.2
215.07030	2.0
218.09454	1.4
227.03276	1.4
244.10728	1.3
285.04016	2.6
286.04297	1.4
289.14420	2.3
300.06363	4.5
301.50586	1.5
315.08728	10.2
316.09515	43.8
317.09848	5.0
331.11871	100.0
332.12164	11.8
339.15765	1.4
349.42453	1.3
491.12546	1.6
520.15552	1.9
535.11249	3.6
535.18201	1.8
543.21576	1.4
561.23291	19.2
562.23486	2.2
579.24060	11.8
580.25012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27821	0.7
59.01246	8.5
69.26998	3.8
69.27419	2.7
71.01267	4.3
73.02807	2.0
81.03342	0.9
83.01252	0.9
83.86377	0.6
83.86964	0.6
85.02798	2.1
85.21711	0.6
87.00762	1.4
89.02322	1.2
93.03381	1.1
95.01256	1.1
98.20512	1.4
101.02325	2.2
109.02825	2.9
113.02323	2.0
119.03369	0.8
119.04909	1.2
123.00768	2.8
123.04372	1.0
125.02324	1.5
133.02846	2.0
134.03607	1.4
135.04462	0.9
137.02342	12.2
139.48590	0.7
149.02350	2.0
149.06039	1.5
151.00273	15.9
151.03949	1.3
152.00887	1.4
152.04703	2.3
162.84715	0.7
163.03929	1.3
165.01836	1.7
166.02637	51.0
166.23126	0.7
167.03275	4.1
175.03897	3.0
177.01813	3.9
178.02408	1.0
181.04994	61.3
182.05388	3.4
190.06262	0.9
191.03497	1.1
191.40268	0.7
192.04166	1.4
193.04984	3.1
195.02922	0.8
199.04022	0.8
205.04942	1.5
205.08684	1.2
207.06528	1.9
219.02916	2.4
221.00847	1.2
227.03506	2.4
253.05185	0.9
255.02951	2.3
256.03720	0.8
267.06757	2.1
284.03262	3.4
285.03836	1.6
295.06122	1.6
299.05704	1.2
300.02692	0.8
312.02817	1.0
314.07947	1.1
327.05133	1.5
342.07553	4.5
352.28720	0.8
357.09756	8.0
357.13724	1.4
358.10178	1.0
359.11404	2.0
387.10791	12.5
388.11127	1.0
402.13034	6.3
417.15536	100.0
418.15903	12.6
441.12051	3.6
459.12988	3.7
491.13452	2.3
519.31854	4.7
535.12585	3.8
537.32654	1.9
561.09662	6.2
562.10449	1.3
579.12573	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	579.1358
Annotation	NSC641260
Peak:m/z	Relative Intensity
54.92965	0.5
69.43752	4.0
91.01772	2.1
98.05202	0.5
98.20554	0.7
101.34848	0.5
108.02062	0.9
121.02836	1.6
135.00786	5.6
148.01566	4.8
149.02344	0.5
153.01854	2.6
163.00307	4.1
172.05200	0.5
183.04362	0.5
195.28549	0.5
199.03999	1.1
200.04735	1.0
202.02570	0.5
211.03839	1.5
227.03447	19.4
228.03749	2.2
229.04974	1.1
239.03487	16.0
240.03830	1.5
255.02974	53.5
256.03461	6.5
257.04614	1.5
267.02988	0.6
283.02481	1.8
283.05853	0.8
284.03262	75.1
285.03885	16.1
286.04495	1.0
327.04987	1.0
429.08566	0.7
447.09256	0.7
557.89258	0.6
579.13562	100.0
580.13879	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	579.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.3
59.01252	18.0
61.98697	3.9
69.03315	1.0
71.01257	6.9
71.54172	1.4
72.22555	0.8
72.99181	1.4
73.02824	2.4
75.00742	1.6
81.03313	1.5
82.34059	0.8
83.01257	1.4
85.02824	3.2
87.00748	2.8
89.02300	2.7
93.03357	4.1
95.01266	1.0
99.00745	1.6
101.02332	3.1
108.02051	3.2
109.02837	100.0
110.03175	3.1
111.00777	1.5
113.02298	3.2
118.37434	0.8
119.04900	2.4
121.02818	2.4
123.04410	1.8
125.02327	3.4
133.02849	11.7
134.03612	2.2
135.04428	5.0
137.02328	2.6
145.02820	2.5
146.03589	1.5
147.04398	3.5
148.01567	1.8
149.02338	2.3
149.05954	3.6
149.07060	0.9
151.00247	2.6
151.04028	0.9
152.01056	1.4
153.01822	1.8
160.01550	1.5
161.02330	2.7
161.04434	1.4
161.05910	0.9
163.00227	1.4
163.03932	6.1
164.01021	1.2
165.01808	2.6
165.05322	1.0
166.02594	2.6
167.03384	1.6
169.83958	0.9
171.09956	1.1
173.02319	1.5
173.04420	1.2
175.03929	8.5
177.01828	2.5
179.03407	0.9
181.04944	1.3
187.03860	2.3
189.01857	1.3
191.03439	1.0
191.05486	3.0
193.01283	1.7
193.04959	3.0
194.02034	1.8
197.11725	1.3
203.03413	1.3
209.11998	1.1
211.03993	1.3
213.01877	1.0
215.03337	1.4
219.02940	9.8
221.00830	2.6
223.07916	1.3
225.05574	1.4
227.03416	5.2
228.03888	1.1
237.05487	1.4
239.03549	1.1
240.04230	1.6
253.05083	2.1
254.05780	1.9
255.03011	11.6
255.05679	1.4
256.03497	1.9
257.04596	1.0
263.03409	1.2
264.04156	1.6
265.04758	1.3
267.06686	17.0
268.03790	1.1
268.07059	2.1
270.05173	1.7
271.05783	1.1
279.02759	1.1
280.03748	2.1
281.04602	1.5
283.02615	1.0
284.03256	15.0
285.03983	13.3
285.07245	1.5
286.04251	1.8
295.06058	11.4
296.03262	1.2
296.06168	1.9
297.03656	1.2
308.03329	1.7
309.04004	1.8
309.61148	0.9
312.02823	1.8
313.03470	4.1
314.07709	1.0
323.05466	2.1
324.06284	1.3
327.05011	1.9
328.05792	3.2
336.02545	1.2
337.03369	1.1
342.07413	3.4
343.08246	5.4
343.21146	1.3
350.96408	0.9
351.05078	9.5
352.05722	2.2
365.06641	1.2
366.07281	2.2
367.07965	1.2
375.27441	1.3
380.09125	2.0
381.09775	24.4
382.10413	4.8
387.14603	1.1
403.04495	1.3
415.10068	2.5
417.15570	1.3
433.10605	1.3
441.11926	5.5
443.07608	2.3
452.07330	2.4
459.06964	2.0
459.12845	8.9
460.13107	1.4
461.08823	4.7
471.12793	2.7
487.06628	2.4
489.12408	5.4
490.12555	1.0
491.13547	40.1
492.13852	8.3
517.11847	8.3
519.31836	9.1
535.12561	12.4
536.12677	2.6
537.32593	3.4
543.08771	1.7
561.10004	31.1
562.10394	5.3
579.12860	9.3
579.23004	3.4
580.13623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65108	0.3
63.02263	0.6
65.00206	0.7
65.75927	0.4
83.01271	0.5
93.03363	0.7
93.55627	0.4
98.19778	1.0
100.94733	0.4
107.01298	1.5
132.02103	1.0
135.00784	1.0
135.35106	0.5
143.04973	0.6
151.00267	2.7
159.04367	0.5
163.00269	0.8
163.03944	0.4
164.01044	0.5
171.04491	0.5
178.99799	1.5
183.04475	0.5
185.06026	1.0
187.03912	1.2
189.05577	0.6
195.04338	0.5
197.06055	0.6
199.03947	0.4
201.05487	0.4
211.03951	2.4
213.05540	0.9
227.03465	33.0
228.03896	2.9
229.05074	4.5
239.03577	1.1
241.05093	0.6
255.02995	58.6
256.03558	9.2
257.04547	4.8
258.04773	0.5
267.03101	0.6
283.02536	1.4
284.03284	100.0
285.04001	48.6
286.04337	3.6
327.05081	0.9
331.08777	0.4
364.72076	0.4
370.12131	0.4
429.08133	1.0
437.35727	0.4
447.09393	1.4
579.13580	96.0
580.13849	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	579.1355
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01251	6.6
62.19487	0.8
65.00197	0.9
65.18362	0.8
71.01249	3.6
71.54134	1.1
71.54520	1.5
72.99158	1.1
73.02798	1.2
81.24918	0.8
85.02811	1.8
87.00745	1.6
89.02313	1.6
93.03324	2.7
95.01259	2.4
99.00798	1.3
101.02297	1.7
104.28662	0.9
107.01260	1.6
108.02045	2.8
109.02821	2.8
111.00761	1.0
113.02316	2.0
121.02819	1.0
123.00769	1.5
123.04396	0.9
125.02304	1.8
129.75380	0.8
133.43324	1.0
134.03612	1.2
136.01526	2.0
137.02316	2.8
139.00269	2.0
139.03772	0.9
149.05974	1.7
151.00264	9.4
151.03896	2.2
152.00975	1.6
153.01825	2.5
160.01553	1.3
163.00226	1.3
163.03893	2.0
164.01053	1.4
165.01849	2.1
165.05405	1.1
166.02672	1.6
175.03868	1.9
178.99741	2.7
179.03439	1.0
181.04900	1.6
183.04353	1.3
193.01280	1.0
193.04990	2.8
201.01869	1.4
203.03300	1.1
213.01917	1.5
214.02524	1.1
216.04280	1.1
221.00780	1.9
226.02684	1.6
227.03444	4.6
227.10773	1.2
229.05136	1.3
241.01566	1.1
243.02963	9.3
251.05591	1.4
254.02104	1.4
255.02974	24.3
256.03455	1.9
271.02466	51.9
272.02795	7.0
272.47653	0.9
284.03232	3.9
299.01935	4.4
300.02744	100.0
301.03314	14.8
313.03375	2.3
315.05298	1.9
328.05960	1.3
343.04501	2.7
345.02353	2.2
347.07565	2.6
347.11316	1.5
357.13385	2.2
375.07214	10.6
376.07343	0.9
409.24896	0.9
431.22607	1.4
441.11673	3.7
459.13000	4.9
471.12759	1.2
519.31573	1.7
561.09869	2.8
561.17010	1.3
579.13403	70.3
580.13806	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	579.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
62.07782	0.2
71.01261	0.4
71.39981	0.2
83.01263	0.4
85.02850	0.2
87.00756	5.7
88.01089	0.2
88.40960	0.2
89.78605	0.1
93.03378	0.2
95.01273	0.6
107.01267	0.7
108.02059	0.5
119.01282	3.4
119.04911	0.4
121.02818	0.3
122.03594	0.2
123.00763	0.2
124.01543	0.3
125.02338	0.2
126.64011	0.2
126.96518	0.2
130.99748	1.1
133.02847	0.4
135.00816	0.2
135.04393	0.3
135.74393	0.2
136.01566	0.3
137.02304	0.4
140.95793	0.2
145.02835	0.7
146.03621	0.5
147.00793	3.3
147.04416	1.2
148.01582	3.4
148.05164	0.2
149.02177	0.2
149.06003	0.2
149.99542	0.2
151.00299	1.8
159.04405	0.6
161.02328	0.5
163.03923	1.1
164.01045	0.8
165.01845	0.2
167.03358	0.2
172.05229	0.4
173.05997	0.7
174.06755	0.2
175.00266	1.8
175.03998	0.2
175.07600	0.4
176.01082	4.6
177.01624	0.3
185.06020	0.4
186.06818	0.2
186.13519	0.2
187.03844	0.3
187.07529	0.3
188.04681	0.4
189.05426	0.4
189.09186	0.2
191.03432	0.7
191.07195	0.2
191.98967	0.3
192.00572	3.6
192.04166	0.4
192.81699	0.2
194.21516	0.2
198.06604	0.2
199.07614	0.2
201.05489	0.2
201.09145	0.3
202.06244	0.2
202.99809	21.1
203.07068	0.4
204.00139	1.1
207.02957	0.6
211.13297	1.1
213.05411	0.3
214.06528	0.2
215.07095	0.3
217.08577	0.3
220.00099	0.9
226.02621	0.2
227.07182	0.2
228.08192	0.2
229.08708	0.3
235.02449	100.0
236.02780	6.1
236.04652	0.1
245.08157	0.2
254.02245	0.2
255.02940	0.3
270.01682	0.6
271.13486	0.4
284.03217	0.5
285.04041	0.9
287.12854	0.3
289.14478	0.6
297.04047	0.2
298.01065	0.3
299.05499	0.2
311.12686	0.2
312.02557	0.2
313.03558	4.4
313.14493	0.4
314.03870	0.5
315.15921	0.3
327.05057	0.5
328.05862	1.6
331.15417	0.4
341.14032	0.3
342.07413	0.4
343.08200	5.8
344.08557	0.7
401.15768	0.2
535.11621	0.7
543.22278	0.4
547.08954	0.7
561.23456	6.3
562.23767	1.0
579.12256	1.1
579.24463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14298	2.7
59.01253	36.4
63.25538	3.4
71.01257	9.4
73.02823	4.7
75.00753	5.3
85.02814	4.0
87.00761	11.5
89.02341	6.0
95.01271	3.9
95.04868	3.7
101.02296	6.1
108.02065	6.7
109.00497	3.1
109.02814	9.2
111.00699	3.5
113.02318	3.5
117.03356	3.8
119.04914	9.8
123.04401	6.2
124.01571	3.9
125.02334	7.8
129.03380	8.4
130.04141	4.2
133.02829	3.3
134.03641	5.0
137.02328	12.6
145.02852	69.3
145.03923	5.6
145.09280	2.9
146.03654	33.6
147.04425	94.9
148.05063	2.9
149.02362	4.8
149.05997	10.7
150.03134	3.2
151.00227	6.9
152.01039	5.3
159.68958	3.9
160.01553	6.6
161.02365	4.4
163.03943	4.0
165.01796	6.0
167.03479	5.8
175.02545	3.5
175.03979	9.8
177.01820	5.4
178.99803	3.3
191.03427	38.3
191.05455	7.1
192.04010	4.6
193.04979	9.4
194.02190	3.9
217.01233	4.8
226.02742	3.1
227.03409	14.6
235.02412	35.1
241.05040	4.9
242.02115	5.1
255.03004	28.3
256.03671	4.5
257.04614	3.4
270.01913	4.5
270.05356	6.7
284.03256	35.5
285.04004	33.9
285.07364	6.1
299.05515	3.7
313.03528	52.8
314.03961	5.8
327.05121	6.4
328.05710	16.9
331.08774	4.3
342.07449	17.6
343.04181	6.4
343.08215	100.0
344.08435	6.6
441.11728	12.1
459.13031	14.5
491.12885	5.7
535.11481	7.6
547.09210	4.1
561.16101	13.7
579.12958	25.0
579.24420	12.8
579.33649	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59264	0.1
59.01262	0.4
59.45552	0.2
65.61297	0.1
67.10143	0.1
71.01268	0.1
71.41301	0.3
83.01239	0.3
85.02831	0.2
87.00755	4.0
95.01279	0.5
107.01261	0.7
107.29221	0.1
108.02051	0.3
109.02868	0.2
117.03411	0.2
118.46114	0.1
119.01290	3.2
120.02042	0.2
121.02872	0.2
123.00760	0.6
124.01553	0.4
125.02332	0.3
130.99759	1.1
131.01259	0.2
132.02066	0.2
133.02809	0.3
135.04388	0.2
137.02347	0.6
145.02855	0.7
146.03621	0.3
147.00790	3.9
147.04436	0.7
148.01575	3.6
149.02344	0.1
149.05969	0.2
149.99493	0.4
151.00294	1.8
159.00787	0.2
159.04393	0.5
161.02359	0.4
161.05878	0.2
163.03955	0.9
164.01057	0.6
165.01866	0.2
167.03305	0.1
173.05998	0.8
174.06793	0.3
175.00299	1.9
175.07570	0.3
176.01077	5.3
177.01819	0.8
178.02393	0.2
179.03453	0.4
185.05997	0.4
186.06740	0.3
187.03967	0.2
187.07533	0.2
188.04745	0.3
189.05496	0.3
189.09195	0.2
191.03410	0.4
192.00574	4.4
193.01028	0.2
197.02263	0.2
199.03999	0.1
199.07524	0.2
201.05408	0.3
201.09204	0.3
202.99799	21.9
203.07030	0.4
204.00208	1.2
205.01402	0.3
207.02960	1.4
210.03198	0.2
211.13345	1.0
212.04651	0.2
213.05557	0.3
214.02786	0.2
215.07033	0.5
217.08629	0.3
218.09367	0.4
220.00031	0.9
222.05235	0.7
225.01933	0.4
225.05548	0.3
225.99487	0.2
226.02640	0.5
227.03346	0.2
227.07083	0.2
228.07655	0.2
229.08676	0.4
230.02049	0.2
235.02443	100.0
236.02783	5.9
237.07701	1.3
238.08243	0.2
239.03558	0.3
240.04114	0.2
241.01404	0.3
241.05026	0.2
242.02136	0.6
243.02864	0.1
243.10191	0.2
244.10573	0.2
245.08131	0.4
253.01424	0.3
254.02139	0.4
255.02776	0.3
257.04465	0.2
262.23236	0.2
268.03784	0.2
269.00870	0.6
269.04214	0.2
270.01749	1.8
271.02234	0.2
271.13443	0.4
277.97916	0.2
283.02490	0.2
284.03241	0.8
285.04086	2.8
287.12851	0.2
288.13873	0.2
289.14465	0.4
297.00388	0.4
297.04013	0.7
297.14999	0.2
298.01190	0.6
299.05609	0.9
312.02789	1.0
313.03543	12.3
313.14548	0.2
314.03876	1.0
314.07880	0.5
327.05103	1.5
328.05899	3.9
329.06149	0.3
331.15439	0.2
332.16608	0.2
339.15854	0.2
341.14063	0.2
342.07419	3.4
342.14282	0.2
343.08197	19.1
344.08521	1.9
350.10080	0.3
421.44800	0.2
445.82394	0.2
501.21286	0.2
526.06836	0.2
535.11249	0.5
543.22583	0.2
547.08618	0.3
561.23370	6.1
562.23804	0.6
579.11462	0.9
579.24359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34760	0.7
57.03320	0.6
59.01257	2.9
61.98709	0.7
69.27306	6.1
71.01256	1.4
72.99185	1.0
83.01243	0.8
87.00742	1.9
87.88794	0.6
89.02288	0.8
93.03355	0.6
101.02348	1.0
108.02059	4.4
109.02843	100.0
110.03159	3.6
117.31216	0.7
119.04907	5.2
121.02848	1.3
122.03600	0.7
123.04456	0.8
130.39182	0.7
131.04951	0.8
133.02885	0.9
134.03636	1.4
135.04446	1.5
137.02336	1.4
145.02849	2.4
146.03691	0.8
147.04448	5.6
149.02357	0.8
149.06001	1.6
152.01080	0.9
159.04402	1.0
160.01569	1.4
161.02367	2.0
163.00252	0.9
163.03951	2.3
164.01137	0.7
175.00262	1.7
175.03940	3.5
177.01839	0.9
191.03447	0.7
193.05096	1.6
198.06892	0.8
200.01166	0.7
201.01855	0.7
213.01991	0.7
217.01370	1.2
219.02933	1.7
225.05467	0.8
227.03563	1.4
233.06107	0.6
240.04343	0.7
241.05084	0.7
242.02193	2.2
248.04753	0.8
253.05150	1.8
255.03027	1.5
264.04379	1.4
265.05188	1.1
266.02185	0.9
269.01038	1.0
270.01993	1.3
270.05212	1.4
271.02563	0.8
271.06091	2.3
279.02829	0.7
280.03775	1.7
281.04456	1.4
283.02667	0.9
284.03296	1.4
285.04025	2.5
292.03748	1.0
293.04535	1.8
295.02783	1.2
295.06107	3.0
307.02570	1.1
307.05945	1.4
308.03183	3.2
309.04095	3.2
313.03595	7.9
313.06894	1.1
314.03836	1.1
315.05225	0.9
319.02441	0.8
321.03955	1.3
323.02325	0.8
323.05634	3.1
325.03683	0.9
327.01553	1.1
327.05167	1.1
328.02625	0.7
328.05835	4.0
335.01819	1.0
335.05649	0.9
336.02847	4.6
337.03537	7.1
337.07159	0.8
338.04077	0.8
339.05292	0.8
342.07285	0.9
343.08231	8.1
349.07385	0.8
350.03934	0.7
351.05090	20.2
352.05539	4.2
353.06573	0.8
357.06186	2.9
365.06680	0.8
366.07407	6.0
367.08255	6.9
381.09802	44.0
382.10144	5.9
385.03424	0.8
397.14667	0.9
400.05759	0.9
401.06940	1.0
415.08182	0.8
425.07288	1.0
428.05002	1.3
431.04037	0.8
441.11758	0.9
443.07892	4.2
446.06189	1.1
447.06888	1.1
458.09952	2.5
461.08853	6.9
462.08823	1.2
471.13077	0.8
473.12405	3.5
476.10999	1.6
487.06857	1.0
491.13483	57.5
492.13916	10.8
517.11475	6.3
518.11798	1.0
535.12469	32.2
536.12946	6.5
548.54840	0.6
561.10101	12.5
561.17297	1.0
562.10724	2.2
579.12018	2.2
579.22949	1.4
579.33618	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.3
61.98701	0.5
71.24467	0.7
74.25466	0.3
78.95779	22.1
80.96397	2.0
83.04882	0.3
94.97967	0.4
122.98420	0.5
147.04419	0.9
152.99500	3.9
155.00549	0.3
168.04247	3.2
191.03404	0.6
192.03737	0.3
193.64267	0.3
224.06906	7.9
242.07961	2.2
268.03265	0.4
277.21716	0.7
279.23291	100.0
280.23636	10.8
283.13467	0.4
284.03345	0.5
343.07880	0.6
375.63715	0.4
431.07584	0.4
432.07843	0.5
442.06445	0.7
460.07343	1.2
490.12259	2.7
491.12900	0.5
504.06607	1.7
504.30991	56.3
505.06818	0.4
505.31311	9.1
519.08527	0.8
533.11035	0.8
534.11212	12.7
535.11780	1.8
578.10406	1.5
578.27087	2.8
579.12488	0.5
579.27478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
63.96115	1.5
63.98671	0.4
68.52750	0.3
69.03345	0.6
71.01255	6.9
71.01649	0.6
73.02824	2.1
78.98466	6.8
79.95606	10.6
80.96394	72.6
81.03342	0.7
83.01239	0.4
85.02824	3.0
87.00754	3.1
91.03880	0.4
93.97210	0.4
94.97964	16.8
96.95889	1.0
97.02827	1.6
99.00770	0.6
99.70879	0.4
101.02320	3.2
103.71832	0.4
106.97982	3.0
113.02337	0.4
122.97482	5.4
125.02332	2.1
127.03913	0.5
134.97484	4.5
136.99030	1.3
146.97490	0.5
148.99046	5.9
152.98541	6.1
164.98561	10.1
171.76602	0.4
179.00121	0.5
182.99582	2.0
188.98616	0.7
206.99648	2.5
225.00702	12.8
243.01727	1.4
277.21695	1.5
299.04410	1.7
489.11887	0.5
533.10907	2.3
577.26874	100.0
578.27148	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.8
61.01601	0.3
63.83358	0.3
70.71957	0.7
70.72293	0.5
71.01250	1.5
78.95768	6.5
78.98470	1.3
79.95614	2.1
80.96394	13.3
82.95970	1.1
85.02835	0.6
87.00748	0.6
90.24687	0.3
94.97956	2.9
96.95891	0.5
101.02313	0.7
106.97981	0.4
111.25290	0.3
122.97464	0.4
126.32789	0.4
134.97430	0.7
148.99049	1.3
152.98505	1.3
152.99525	1.2
164.98503	2.0
168.04276	1.7
170.25838	0.3
179.34114	0.3
195.11470	0.3
206.99687	0.5
224.06874	1.0
225.00656	2.0
226.01009	0.4
227.00275	0.4
242.07936	2.4
263.23611	0.3
279.23294	100.0
280.23645	9.8
290.88464	0.3
348.63046	0.4
400.43033	0.4
490.12036	0.7
504.30969	26.6
505.31247	4.1
519.09692	0.5
534.11603	2.9
535.11658	0.6
555.32495	0.4
578.27197	18.9
579.27136	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	577.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01241	1.1
69.03341	0.2
71.01257	2.5
72.99191	0.4
73.02824	1.1
83.01253	0.4
85.02821	1.5
87.00757	0.5
89.02351	0.3
89.03841	1.1
95.01290	0.4
97.02821	0.3
98.19755	0.4
99.00783	0.3
101.02321	1.9
113.02307	1.7
117.03349	4.2
118.03636	0.3
132.02095	1.4
133.02859	0.2
134.03630	60.2
135.03944	2.3
137.02335	0.5
147.04440	0.5
149.05983	6.9
160.01576	6.2
161.02040	0.2
161.04407	1.1
175.03922	10.5
175.61482	0.2
176.04285	0.7
178.02617	1.6
191.03336	0.3
193.04990	100.0
194.05327	5.2
229.67647	0.2
242.93352	0.2
255.12373	0.3
269.10309	0.9
312.02835	0.3
342.07413	0.4
383.13522	0.7
401.14526	1.3
431.07526	0.4
456.08267	0.4
459.07233	0.7
471.10678	0.3
489.12057	1.8
503.06320	1.0
518.08521	0.7
533.10883	8.2
534.11377	1.1
577.09943	0.8
577.19324	2.5
578.10413	0.3
578.19489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
59.01253	1.2
60.04902	0.3
61.98712	1.9
62.16682	0.3
63.77447	0.4
63.96114	1.1
69.03332	0.7
71.01255	7.0
71.30096	0.7
73.02814	1.8
74.17639	0.4
78.98463	5.4
79.95608	11.7
80.96392	72.6
81.03329	0.9
85.02824	2.1
87.00760	2.7
94.97959	16.1
95.01315	0.4
96.95871	0.4
97.02827	1.3
99.00706	0.5
101.02327	2.0
106.97977	3.5
113.02290	0.5
122.97449	3.1
125.02343	3.0
127.03909	1.0
134.97478	5.2
136.99028	1.4
147.85602	0.4
148.99066	5.5
152.98553	5.0
164.98549	9.5
167.00252	0.4
206.99608	2.6
218.47232	0.4
225.00710	12.7
226.01045	0.4
240.33156	0.4
244.61818	0.4
277.21909	1.2
299.04391	3.1
533.10791	1.7
577.26880	100.0
578.27179	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	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
58.81702	0.5
59.01252	3.9
61.98708	0.6
67.01765	1.2
68.62170	0.5
69.40738	4.3
71.01250	2.9
72.99169	1.0
73.02811	0.8
74.00594	0.5
75.00755	1.3
81.03347	1.1
83.04873	1.3
85.02825	1.7
87.00749	2.2
89.02318	1.3
93.03337	6.2
96.95914	0.8
100.36116	0.6
101.02338	1.3
107.01273	0.6
109.02824	1.2
111.00745	0.7
111.04396	3.1
113.02327	1.5
119.04910	1.0
121.02850	1.7
123.04388	1.1
125.02320	1.1
127.03915	0.9
127.41412	0.6
133.02875	1.7
134.03635	30.2
135.04001	1.0
137.02362	7.3
139.03902	2.7
145.02827	1.1
146.03651	0.5
147.04419	1.7
149.02328	1.0
149.05984	13.1
150.03094	1.2
150.06323	0.8
151.00276	1.7
153.01833	1.0
155.03458	2.8
159.04283	0.7
160.01564	1.5
161.02371	1.4
161.06050	0.7
163.03918	1.1
165.04005	0.8
167.03429	1.2
173.04480	19.1
173.05974	1.4
175.03934	1.9
178.02641	23.7
179.03052	1.6
185.06021	0.5
187.03873	0.9
187.07611	0.9
190.02328	0.6
191.03497	0.8
191.05522	3.1
193.04993	100.0
194.05325	5.5
199.03976	0.7
205.03326	0.7
227.03458	1.8
243.02847	1.5
247.40965	0.6
252.07634	0.6
255.02925	3.0
256.03500	0.7
267.06882	0.7
270.01675	0.8
271.02469	8.6
272.02902	2.0
283.02435	1.4
284.03284	1.2
285.04022	2.4
299.01965	17.6
300.02618	5.1
301.03333	1.2
307.06180	0.6
313.03531	2.4
314.04294	4.1
315.04752	0.8
323.09012	1.1
329.06662	20.8
330.06967	3.0
353.10275	0.6
380.43927	0.6
403.13974	9.1
404.14325	1.0
457.14944	1.0
533.12885	3.1
577.20044	2.7
578.16125	0.6
596.24835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03334	0.8
59.01253	10.2
61.98729	0.9
71.01257	10.5
71.54240	0.4
72.99200	0.7
73.02818	4.9
75.00745	1.5
83.00787	0.4
83.01250	2.2
85.02827	6.4
87.00753	4.6
89.02332	1.9
93.03371	0.7
95.01262	1.5
97.02840	0.7
97.06486	0.5
99.00772	3.6
101.02328	7.6
107.04860	0.5
108.02074	0.6
109.02843	2.2
111.00761	0.9
111.04374	0.4
113.02334	6.2
117.03350	1.8
119.04926	4.5
121.02888	1.2
123.04343	0.5
125.02334	1.4
128.01006	0.5
130.99785	0.8
131.03459	0.5
132.02072	14.0
134.03641	12.8
135.00891	0.5
135.04202	0.6
137.02316	1.1
138.01872	1.0
143.03438	0.6
145.02849	2.0
147.04420	1.6
149.02376	0.6
149.05998	3.1
152.01064	0.6
159.02939	0.8
159.04382	0.9
160.01581	56.7
161.02029	3.0
161.04489	3.8
163.03941	7.0
165.04005	0.5
165.05466	0.5
168.00517	0.9
170.07965	0.4
173.04466	0.7
173.05879	0.6
175.03934	100.0
176.04266	6.2
177.01900	0.9
178.02597	0.6
187.03941	0.7
187.07635	0.6
189.01855	0.9
191.03464	1.0
193.05003	24.4
194.05261	1.6
197.06104	0.7
199.03909	0.5
199.07449	0.6
201.05508	0.5
201.09149	1.0
211.03952	0.5
212.04790	0.5
215.07118	0.5
215.10297	0.4
235.02252	0.4
241.08688	0.6
253.05080	0.6
267.03073	0.4
267.06897	0.5
269.10272	3.3
283.06155	0.8
313.03516	1.2
321.03885	0.9
327.22025	0.5
328.06055	0.6
343.08060	1.6
349.03629	2.3
349.07166	0.4
364.05988	0.5
373.26016	0.6
375.18332	0.5
379.08234	9.0
380.08881	1.0
383.13580	0.5
387.10065	0.4
401.14587	14.2
402.14667	1.4
441.05847	0.7
459.07031	1.6
471.10629	0.6
474.09576	0.6
489.12024	7.5
490.12531	1.3
503.06049	0.9
517.21173	0.5
517.30170	0.7
533.10785	7.4
533.29358	1.7
534.10858	1.8
577.18866	5.4
577.31342	2.2
578.18970	1.0
578.31860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
69.21948	4.1
69.22357	0.8
71.01259	4.0
73.02815	1.6
79.01878	0.5
83.01261	0.8
85.02832	2.0
87.00751	3.8
89.02367	0.6
89.03828	1.7
93.03355	3.5
99.00739	0.8
101.02322	2.6
113.02331	1.8
117.03342	6.5
117.04097	0.7
121.02822	0.5
130.99812	0.6
132.02083	2.3
133.02863	0.5
134.03633	77.9
135.03915	3.2
137.02339	9.5
145.02823	1.4
147.04436	2.9
149.05989	7.2
150.06458	0.4
159.04407	0.7
160.01564	9.1
161.02249	0.7
161.04420	1.1
162.02863	0.5
175.03932	10.1
176.04282	1.0
177.05530	0.5
178.02670	1.9
187.03941	1.7
188.04401	0.7
189.01891	1.1
191.03410	1.2
193.04996	100.0
194.05365	4.4
198.70363	0.5
202.06412	0.5
210.03123	0.6
213.05434	0.8
215.07115	0.6
216.07906	0.8
223.84279	0.5
225.05566	0.8
226.02615	1.5
227.06866	0.5
239.03369	0.5
241.04996	0.6
242.02170	1.3
268.03827	0.6
269.10336	0.7
270.01672	2.6
283.02417	0.8
284.03336	0.8
285.03937	4.2
286.04413	0.7
297.03995	1.5
298.01196	1.8
299.05563	0.6
312.02682	0.8
313.03531	15.8
314.03860	0.9
327.05075	1.1
328.05853	4.7
342.07434	1.7
343.08215	29.7
344.08667	3.7
371.05536	0.8
372.06146	0.5
383.05276	0.5
383.13428	1.6
401.14426	1.2
413.06610	0.7
441.06046	1.1
459.07236	2.7
471.10831	1.1
474.09818	0.8
489.11969	6.2
490.12259	0.8
503.05981	2.2
518.08417	1.5
533.10889	28.3
534.11267	5.8
559.21527	0.9
577.09814	2.0
577.22003	6.6
577.32330	2.1
578.09961	1.1
578.23236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1579
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.01942	1.7
55.01751	2.4
57.03345	3.2
59.01255	35.8
61.98695	4.7
65.61288	1.7
67.01753	2.1
68.99681	4.5
69.30540	13.0
71.01255	19.8
72.99178	3.0
75.00740	2.7
79.76417	1.9
81.03305	1.8
83.01254	2.5
85.02811	7.8
87.00741	6.5
89.02314	14.9
91.05412	9.7
93.03353	9.0
95.01266	2.2
95.04895	5.4
96.95878	4.8
99.00768	2.6
101.02338	9.7
103.05402	6.4
103.95860	2.1
105.03351	10.8
108.02077	4.9
109.02833	5.1
113.02323	8.2
117.03339	8.0
119.03391	5.6
119.04937	16.0
121.02850	14.9
122.03635	2.7
123.04378	3.2
125.02336	5.2
129.03299	2.3
132.02049	2.6
134.03650	22.0
135.03986	4.2
136.04051	2.5
136.74170	1.8
137.02344	20.3
138.05769	1.9
139.03925	4.3
145.02867	54.1
146.03650	25.4
147.04428	73.6
148.05217	15.0
149.06003	20.4
150.06265	2.5
153.01842	2.6
160.01523	5.6
161.02275	6.6
161.04628	3.2
161.05998	13.5
163.03940	4.2
163.07590	2.2
165.01718	2.4
165.03952	2.4
167.03426	4.4
173.04440	8.2
173.05820	2.2
175.03952	13.9
177.01872	4.3
178.02364	2.0
179.03421	3.0
189.01801	3.1
191.03419	19.8
191.05515	6.3
192.04234	16.6
193.01285	3.5
193.04991	30.9
193.06725	2.4
194.05347	10.9
195.05501	5.2
197.04388	1.9
207.06569	100.0
208.06924	7.1
217.01385	3.9
219.02776	2.2
224.03151	2.3
226.90295	1.9
235.02434	2.8
236.03204	6.2
265.08679	2.5
293.08267	2.3
299.01974	4.3
309.11285	2.6
329.06674	4.6
340.08847	3.8
341.09442	3.9
353.10321	70.9
354.10742	9.7
379.08322	15.6
403.14569	1.9
429.07227	2.8
525.53033	2.0
533.10205	2.8
577.15576	85.0
578.16010	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	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
67.07229	0.2
67.54141	0.2
69.19590	2.4
71.01259	3.2
72.99194	0.3
73.02812	1.2
73.43442	0.2
74.25889	0.2
80.22421	0.2
83.01270	0.7
85.02821	1.5
85.79424	0.2
87.00750	0.3
89.02323	0.4
89.03841	1.8
99.00748	1.1
101.02309	2.2
106.04141	0.3
113.02323	2.0
113.64887	0.3
117.03346	5.6
118.03651	0.3
125.31570	0.3
132.02075	2.5
134.03632	73.9
135.03947	3.2
137.02338	0.5
147.04485	0.5
149.04852	0.4
149.05998	5.6
150.06342	0.3
160.01572	7.5
160.10020	0.2
161.01926	0.4
161.04486	0.8
175.03923	10.3
175.23999	0.2
176.04294	0.5
178.02618	1.3
191.03418	0.4
193.04993	100.0
194.03719	0.2
194.05328	5.9
263.05096	0.3
269.10260	0.7
272.60953	0.3
289.51086	0.3
342.07480	0.6
383.13428	1.0
401.14600	1.5
431.07965	0.3
433.45593	0.3
454.17236	0.3
459.07306	0.4
489.11600	1.5
503.06021	1.0
508.26270	0.3
518.08093	0.4
530.52368	0.3
533.10889	5.7
534.11285	1.3
577.09784	0.6
577.19409	2.1
578.19458	0.5
596.52802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	8.1
59.01260	6.5
71.01260	8.0
71.52956	4.8
74.50032	3.3
75.00751	35.4
82.32259	3.6
85.09339	3.1
89.02298	4.2
93.03362	4.2
108.02043	14.7
109.02831	12.4
119.77264	3.5
123.04387	9.9
129.01868	5.3
135.04350	6.8
137.02229	3.8
146.03621	6.0
147.02919	5.9
147.04433	13.3
159.04427	100.0
160.05215	18.4
161.05992	27.3
163.03848	4.0
165.03970	63.0
166.04262	3.5
167.03522	4.0
173.02377	3.8
173.05963	35.3
174.06282	3.8
177.01776	3.8
179.48669	3.6
185.06035	4.9
187.03909	12.0
199.03978	4.1
203.03462	8.9
213.05507	7.5
241.05049	14.8
253.05186	6.0
254.05859	4.2
262.06339	4.7
263.07074	6.6
266.05786	7.7
267.06619	28.9
269.08289	4.0
278.05832	11.0
279.06610	18.5
280.07291	11.0
281.08170	19.0
282.08884	35.2
290.05692	4.8
293.08282	6.9
295.09610	8.0
297.11322	68.2
298.11569	8.6
306.05438	4.7
307.06033	14.4
308.06921	12.8
309.11365	12.3
321.07626	11.1
323.09097	20.2
341.10165	34.0
342.10550	7.8
349.07211	8.1
353.10257	5.8
367.08224	76.2
368.08585	7.9
385.09061	19.9
393.06168	54.5
394.06323	5.6
411.07141	11.2
421.98450	4.0
429.08258	8.7
486.49210	3.5
533.12939	13.6
559.10541	17.7
577.11652	37.3
578.12567	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	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77636	0.6
57.03331	1.7
59.01251	4.6
65.23409	0.5
69.03326	0.8
69.33592	5.2
71.01245	3.4
72.99196	1.2
73.02825	1.6
75.00771	0.7
83.01286	1.0
85.02824	4.4
87.00755	2.7
89.02336	1.4
93.03361	0.8
95.01248	1.1
95.56265	0.6
97.02822	1.0
99.00800	1.4
101.02344	1.7
108.02055	57.7
109.02872	10.2
113.02374	2.1
114.74944	0.6
117.03327	1.0
119.04916	1.7
121.02856	2.2
122.03603	0.8
123.00780	0.9
123.04406	1.6
125.02401	0.9
133.02856	0.9
134.03633	2.7
135.04456	1.6
137.02312	1.1
145.02856	2.4
147.04436	16.7
148.04793	1.0
151.00339	1.1
151.03903	0.7
152.01065	100.0
153.01741	5.0
160.01511	0.6
161.02315	1.5
163.03955	6.4
167.03427	1.8
174.03191	0.6
175.03926	1.1
175.07764	0.6
177.01823	2.5
179.03406	1.0
189.01840	0.8
191.03401	1.8
192.04085	0.9
193.04991	2.5
201.09216	0.7
207.02916	1.3
236.04218	0.6
243.10179	0.7
253.04854	0.8
269.04398	1.0
281.04272	0.7
284.03110	0.7
296.03192	0.6
312.02682	1.2
315.07114	1.4
342.07516	1.2
343.08002	1.0
355.06018	0.6
371.05743	1.0
399.04602	0.8
429.10364	28.5
430.10486	4.0
431.12177	1.3
441.06113	0.8
456.08539	1.5
459.07202	2.4
471.10599	1.7
489.11975	9.1
490.12241	2.3
505.10745	0.9
517.20758	0.7
533.10797	9.8
534.11090	1.6
577.15582	77.2
577.23010	3.2
577.31586	2.5
578.15924	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	577.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93285	1.5
59.01248	7.5
65.30062	1.5
71.53649	2.6
78.95785	3.7
82.02254	1.7
94.24832	1.4
99.92420	1.5
104.92710	1.6
111.57401	1.7
113.88911	1.7
115.27841	1.6
123.69154	1.5
144.95811	4.3
146.93776	3.6
147.04404	9.3
152.99472	2.0
159.23872	1.5
167.32797	1.6
167.48064	1.7
171.10243	2.2
188.94792	10.1
191.03436	6.0
217.00278	2.1
241.04837	2.6
255.23192	1.9
268.03714	4.0
312.02768	2.2
320.89911	7.4
342.07541	9.2
372.06845	2.2
388.05594	1.7
399.05060	2.7
400.05722	2.4
431.07526	4.1
441.06265	5.8
457.08899	2.6
459.07034	11.4
473.08829	2.1
475.06650	4.0
476.07111	2.0
489.11966	22.6
490.12155	4.1
503.06213	10.2
504.06436	2.4
515.09753	2.1
518.08710	6.9
533.10883	100.0
534.11230	20.5
577.09912	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83459	1.2
51.00906	1.4
51.24251	1.2
53.66489	1.0
54.36350	1.2
59.01244	7.7
63.81551	1.4
70.20050	5.7
71.01237	2.6
85.02802	1.3
87.00753	25.6
89.03851	9.8
91.89990	1.4
93.03304	1.8
102.15707	1.4
105.03328	7.4
107.04940	2.2
110.87183	1.2
117.03349	5.2
121.02836	2.7
123.00822	1.4
123.04377	3.0
130.99779	4.5
132.02118	1.7
133.02866	15.8
134.03645	9.4
135.04375	2.2
137.02357	9.5
145.02827	2.0
147.04437	8.6
149.02319	4.8
149.05969	3.9
159.04489	6.1
160.01582	6.7
161.02361	94.3
162.02751	6.1
163.03802	2.5
172.05191	1.6
173.06021	1.8
174.03191	2.5
175.03893	6.0
175.07562	2.5
177.01860	100.0
178.02228	4.6
185.05980	2.8
187.03932	15.4
187.07487	2.1
188.04710	2.2
188.08449	1.6
189.01874	74.1
190.02249	3.8
191.03502	6.3
191.05287	1.4
193.05020	12.3
197.05991	1.6
199.07510	1.5
201.05428	2.5
207.02969	3.4
210.03149	5.2
211.13359	3.4
212.85382	1.4
213.05370	3.1
214.06265	1.4
215.03487	2.1
215.07031	2.1
216.07877	5.9
224.04709	1.7
225.05536	2.6
226.02679	2.5
232.03864	1.7
233.00879	35.4
233.04448	3.2
234.01231	2.3
238.02599	2.9
241.05014	1.6
241.08771	2.9
242.02396	1.7
252.04234	1.4
253.04930	4.7
254.02180	4.8
257.04462	1.6
268.03705	2.5
269.04495	7.5
270.01807	2.9
271.02368	1.8
271.13287	1.5
281.04553	4.0
282.01694	2.1
284.03250	2.0
284.06717	3.0
285.04059	2.6
285.14896	2.0
296.02985	2.0
297.04022	17.2
298.01254	1.8
298.04456	2.3
299.09253	4.3
300.02716	3.7
311.12900	2.1
312.03018	2.6
312.06500	5.4
313.03525	14.8
325.03546	5.0
327.05478	2.8
327.08679	7.2
328.05981	4.8
329.13876	4.3
330.14871	1.7
340.05847	1.5
342.07492	6.4
343.08261	30.5
344.08435	2.1
353.02924	1.8
355.08282	14.0
355.15387	1.7
373.09293	24.8
373.16663	1.4
374.09268	2.2
383.07944	7.3
391.08258	1.5
399.07333	6.7
400.07550	2.2
413.06833	2.0
416.05539	2.2
431.07568	2.1
441.06137	4.0
456.08560	2.2
459.07193	7.5
473.08578	1.9
474.09335	1.8
475.06570	2.0
489.11954	18.8
490.12003	2.6
503.06018	10.6
504.06824	1.6
518.08514	6.1
533.10901	78.8
534.11420	11.6
559.08942	2.5
559.21783	4.1
577.09979	9.0
577.22949	44.4
577.31464	2.0
578.10431	2.1
578.23480	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	577.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22943	0.7
57.03321	4.5
59.01253	7.4
61.98716	0.9
63.26799	0.7
69.30392	6.7
70.39618	0.9
71.01257	4.2
73.02821	1.4
75.00744	1.4
83.01266	1.2
85.02831	2.1
87.00764	4.0
89.02361	1.4
91.13241	0.8
93.03327	3.0
99.00749	1.6
99.04411	1.7
101.02334	3.3
109.02832	1.5
111.00790	0.9
111.04395	1.3
113.02320	2.1
119.04884	2.0
121.02843	1.0
123.04394	1.2
133.02800	2.0
134.03616	2.0
135.04449	2.6
137.02350	2.2
145.02858	1.7
147.04417	7.7
149.02350	1.2
149.06009	1.8
151.00310	0.8
151.60173	0.7
153.01849	1.2
160.01593	1.1
161.02353	5.6
162.03076	1.1
163.03893	2.8
164.04651	0.8
165.03882	0.8
165.12749	1.1
173.04491	3.7
175.00308	0.8
175.03955	1.5
177.01843	10.3
179.03448	1.6
183.13860	1.6
185.02356	1.2
187.03781	0.9
189.01834	4.2
190.02380	0.9
191.03427	17.1
191.05461	4.1
192.03929	2.1
193.05003	2.1
197.06026	2.0
203.03432	0.9
209.06073	1.3
211.03839	1.0
212.04559	1.1
213.01863	1.4
224.04716	2.1
225.01941	1.0
225.05534	1.2
226.02644	0.7
227.03369	1.6
231.02989	0.9
239.03430	1.3
240.04195	1.6
241.01402	1.0
241.04982	2.2
243.02980	1.0
251.03471	1.4
252.04269	1.4
253.05017	4.7
254.02010	0.9
255.02821	0.8
256.03766	1.0
267.03064	1.8
268.03711	3.5
269.00839	2.1
269.04178	1.5
269.07935	0.9
270.01547	1.5
279.02927	1.0
284.03317	3.8
285.04044	2.8
295.02478	1.9
296.03299	1.8
297.04025	2.3
299.02069	1.0
299.05612	2.7
311.02020	1.1
312.02792	7.9
313.03479	7.6
314.08023	1.7
327.04956	2.2
328.05826	3.0
329.14084	1.1
336.74789	0.7
342.07449	11.4
343.08279	8.8
354.05322	0.8
355.06021	1.0
356.06815	1.2
371.05353	1.4
373.08975	1.0
373.25949	1.1
397.07291	1.2
398.04062	1.5
399.05057	1.1
400.05695	0.9
403.19675	2.4
413.06482	2.0
415.16202	1.3
416.05145	1.0
426.03619	1.5
427.04373	2.9
428.26477	0.9
431.07974	2.1
441.06110	5.1
442.06693	1.1
456.08084	1.2
459.07138	5.6
471.10748	1.7
474.09766	1.1
485.05289	6.6
486.05859	1.3
489.11905	23.4
490.12119	3.3
503.06177	4.6
515.09735	4.2
517.30316	1.1
518.08722	1.2
533.10876	100.0
534.11200	17.8
535.31726	0.9
576.24237	1.2
576.33862	1.8
577.09637	22.5
577.22949	3.8
577.32800	5.7
578.09729	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	577.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65223	0.6
57.03323	1.3
59.01254	7.1
59.62466	0.6
71.01248	3.9
71.02386	1.4
72.99199	1.0
73.02821	1.3
75.00748	0.9
85.02830	1.8
87.00751	20.0
89.02280	1.0
92.01241	0.6
93.03368	0.7
99.00740	1.2
99.04385	0.7
101.02322	2.2
109.02852	1.8
113.02321	2.0
117.03332	1.0
119.04891	1.8
121.02837	2.4
122.03587	0.7
124.01571	0.7
130.99750	2.1
134.03622	5.0
135.04414	1.2
137.02328	2.5
145.02861	1.3
146.03621	1.8
147.04433	10.7
148.05072	0.6
149.02264	0.9
149.06044	3.3
151.03885	1.0
159.04422	5.4
160.01605	1.9
160.05055	1.0
161.02328	2.5
161.05960	1.5
162.06767	1.0
163.03897	2.2
163.07652	0.7
171.04375	0.7
171.10159	0.7
172.05154	0.9
173.05960	2.6
174.03140	1.0
174.06712	1.5
175.03931	5.0
175.07538	3.2
176.04649	1.0
177.01825	2.1
177.05508	2.0
185.06036	2.3
186.03189	1.0
187.03937	12.1
187.07541	2.4
188.04694	2.6
188.08321	1.1
189.05441	1.6
190.02478	1.1
191.03435	6.4
192.04097	1.1
193.04985	8.4
199.03961	0.8
199.07556	0.9
200.04773	1.1
201.05478	1.9
201.09181	0.8
202.06216	1.2
203.03255	0.8
203.07077	1.9
205.05008	0.9
205.08475	0.8
211.03979	0.8
211.13351	3.0
212.04660	0.9
213.05434	3.7
213.09149	1.1
214.06100	1.1
215.03423	1.8
215.07063	2.2
216.07962	3.7
217.08533	0.9
225.05626	0.8
227.03479	1.0
227.07039	1.0
227.10637	0.9
229.01163	0.7
229.05060	1.0
231.06508	1.1
233.04559	3.2
239.03551	0.8
241.05054	1.2
241.08658	2.2
242.09610	1.0
244.07487	0.8
245.04587	0.7
251.03491	1.0
255.02936	1.9
256.03842	1.1
259.09802	1.2
260.10611	0.8
268.03662	1.9
269.01053	1.1
270.01688	1.0
271.02509	0.9
271.09692	3.3
271.13275	1.1
279.03021	1.2
284.03241	1.4
285.03906	1.2
295.02301	1.1
297.04086	1.9
301.14529	1.5
311.12878	1.6
312.02670	2.6
313.03568	3.0
314.08005	1.3
326.05719	0.9
327.05344	0.9
328.05750	1.8
329.14069	3.2
330.14899	1.0
337.14548	0.9
342.07541	7.8
343.08487	5.8
344.07086	1.3
345.03781	0.9
347.05511	0.9
353.04388	0.7
355.05981	1.0
355.15323	1.5
357.03708	1.1
357.07822	0.9
357.16974	0.9
361.06998	0.9
366.09628	0.9
367.05850	0.9
371.05292	1.7
372.06232	1.5
374.04382	0.9
387.08725	1.8
397.03046	0.8
398.04126	1.2
399.05151	1.9
400.05453	1.4
403.08203	1.6
409.20398	1.0
413.06546	2.4
416.05264	1.5
426.03891	0.9
427.04477	1.4
427.21152	0.9
431.08011	3.9
431.14914	0.8
433.05386	1.4
439.08502	0.8
441.05969	5.2
442.06268	0.8
443.03943	1.4
444.04791	1.3
456.08469	1.8
457.09106	1.3
459.07162	8.8
460.07449	1.9
471.04037	0.9
471.10864	2.3
473.09055	1.7
474.09515	2.2
475.06635	2.7
489.11923	24.7
490.12213	2.3
499.18881	0.7
501.07608	1.1
503.06192	11.8
504.06595	1.8
515.09796	0.7
518.08490	6.8
519.09241	0.8
533.10876	100.0
533.28772	2.0
534.11267	18.7
541.20697	0.7
559.22064	4.8
572.29059	0.8
577.09821	12.1
577.22852	34.0
577.31885	3.2
578.10272	2.4
578.23370	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05033	0.3
51.97747	0.3
59.01158	1.5
59.01474	0.7
60.00221	0.4
61.98614	2.9
61.98964	0.8
69.42507	0.8
69.42925	1.8
71.01176	0.8
73.02740	0.5
75.39558	0.3
77.01992	0.3
83.33665	0.4
85.02759	0.6
87.00654	1.0
93.03256	0.4
115.05340	0.3
117.03257	0.6
119.04784	1.4
121.02775	0.5
128.85556	0.3
133.02795	0.5
134.03619	3.5
135.00621	0.5
135.04280	0.5
137.02228	0.5
145.02713	0.7
146.03566	0.4
147.04419	7.9
148.04732	0.3
149.05865	0.8
160.01321	0.4
161.02208	0.6
163.00284	0.4
163.03963	1.7
163.05008	0.4
175.03787	1.1
176.00844	0.5
177.01682	0.9
187.03882	0.8
191.03444	6.5
193.05005	3.7
194.05272	0.4
197.05840	0.4
199.03848	0.7
201.01669	0.3
211.03810	0.5
213.01701	0.7
213.05428	0.4
215.07196	0.3
217.04897	0.6
223.03777	1.1
224.04617	1.0
225.01756	0.6
225.05321	0.8
227.03424	0.7
228.04086	0.4
239.03267	0.5
240.04114	0.8
241.01263	0.5
241.04886	1.3
251.03297	1.3
252.04279	4.6
253.01291	0.8
253.04913	0.6
254.01874	0.5
256.03604	0.7
265.04886	0.5
266.02008	0.4
267.02676	0.6
267.06631	8.1
268.03870	2.1
269.00748	1.4
269.04224	1.3
271.02399	0.6
279.02829	0.6
280.03705	0.4
281.00986	0.5
281.04169	0.4
283.02377	0.8
283.05588	0.5
284.03094	1.6
285.03934	0.5
293.04437	0.7
295.02512	0.6
296.03217	0.7
297.00266	1.0
297.03918	1.4
298.06238	0.4
299.05606	1.3
301.04791	0.7
302.05618	0.5
307.02277	0.4
312.02719	2.3
313.03598	1.1
314.07831	1.1
315.06488	1.2
316.07529	0.6
318.05377	0.6
321.03888	0.5
326.05722	0.6
327.05664	1.2
328.05869	1.0
329.04388	1.1
330.05249	0.6
331.05939	0.7
341.07776	0.7
342.07559	6.8
343.06241	1.5
344.06631	1.4
345.03900	0.4
346.04623	0.8
354.05063	1.3
355.05957	1.1
356.06763	0.7
357.03763	0.8
357.07693	0.7
359.05359	1.0
360.06216	1.0
361.07007	0.7
369.03436	0.5
369.07596	0.7
370.04559	0.7
371.05542	1.7
371.09540	0.4
372.06586	1.8
373.03131	0.5
381.03918	0.6
382.04581	0.6
385.07211	1.1
387.04547	0.7
387.08585	1.2
388.05515	1.0
389.06589	0.6
397.03232	0.4
398.04132	1.3
399.04868	2.3
400.05621	1.4
403.08023	1.4
412.05762	0.5
413.06610	1.8
414.07089	0.9
415.04202	0.7
416.05243	1.1
417.05624	0.6
418.03357	0.7
425.12555	0.4
426.03632	1.1
427.04547	2.3
431.07678	4.3
432.08127	0.4
433.05643	1.0
435.06979	0.5
441.06024	4.9
442.06625	1.0
443.03754	0.8
444.04550	1.4
445.09528	0.5
447.07019	0.6
448.07819	0.8
456.08453	1.3
457.09186	1.7
459.07156	9.0
460.07153	1.0
471.04504	0.6
471.10767	1.9
473.08905	1.7
474.09479	1.9
475.06421	2.9
489.11938	20.5
490.12247	3.9
501.08810	0.7
503.06241	11.6
504.06213	2.0
515.09656	1.3
516.10394	0.5
518.08606	6.4
519.08734	0.5
533.10901	100.0
534.11206	18.1
545.17761	0.5
559.21967	0.7
577.09943	11.7
577.23749	2.0
577.32196	1.3
578.10156	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11573	0.8
59.01249	6.2
59.86161	0.9
61.98698	0.8
70.89944	1.9
70.90302	1.0
71.01259	4.3
72.99189	1.4
73.02811	2.5
75.60776	0.9
83.04930	1.2
85.02825	3.5
87.00758	8.7
89.02334	1.7
93.03336	4.9
95.04929	1.1
99.00754	1.9
99.04428	1.1
101.02363	2.7
105.03363	1.3
108.02074	2.2
108.05598	0.9
109.02850	2.2
111.00731	0.9
113.02332	3.2
117.03361	2.4
119.04928	15.6
121.02856	4.1
123.04444	1.2
125.02308	1.2
133.02818	4.0
133.03723	0.8
134.03632	5.8
135.04437	1.1
137.02348	8.8
138.01869	13.1
145.02853	5.1
147.04434	12.0
148.25346	1.0
149.02435	0.9
149.06042	2.3
151.03973	1.4
152.01099	1.1
153.01831	1.1
159.04413	1.7
160.01593	3.1
161.02341	20.9
162.02821	1.5
163.03923	23.0
164.00862	0.9
164.04575	0.9
169.06589	1.1
171.04506	1.5
173.04549	1.1
173.06020	1.4
175.03922	4.3
177.01855	23.8
178.02321	1.0
179.03468	1.2
180.05681	1.0
185.02367	4.0
187.03851	1.6
189.01865	17.2
189.05440	1.0
190.02365	1.6
191.03426	3.6
191.05188	0.9
192.04163	2.6
193.04967	7.4
195.04530	0.9
196.05290	1.6
197.06018	3.1
199.03960	1.8
201.05414	1.4
201.09151	2.3
207.03000	1.1
209.06030	3.4
209.07968	1.8
210.03169	2.1
211.03882	2.1
211.07610	1.2
212.04739	1.3
213.01926	2.2
213.05522	1.1
223.03925	2.1
223.13388	1.1
224.04805	1.3
225.01895	1.8
225.05446	2.4
226.02557	1.1
227.03445	1.6
233.00848	7.2
235.03955	2.4
240.04236	2.2
241.04932	1.5
242.02235	1.4
243.03026	1.3
245.04630	1.1
251.03485	2.8
252.04074	1.3
253.05081	8.6
254.02142	2.2
255.02850	1.6
267.02838	1.2
268.03763	4.1
269.00964	3.7
269.04507	3.2
269.08261	1.1
270.01651	1.1
279.02969	7.0
280.03543	1.1
281.04584	3.2
281.08841	1.2
282.01630	0.9
283.02560	1.6
284.03311	4.7
285.03970	1.2
296.03116	1.2
297.00797	1.9
297.04095	6.1
299.05841	2.1
299.09460	1.3
302.05420	0.9
312.02905	5.5
313.03424	7.3
314.07916	2.8
327.05179	3.6
328.05923	3.7
330.05417	1.1
339.06186	1.2
342.07574	19.9
343.08261	11.6
344.08594	1.1
353.04318	1.3
354.05270	2.1
355.08090	2.9
359.05789	1.2
369.07596	1.1
370.04794	1.0
371.05408	2.2
372.06436	1.9
373.09528	4.5
373.25760	1.5
382.04636	1.6
383.55954	1.1
385.07336	1.3
387.08850	1.4
397.07333	1.4
398.04019	2.8
399.05051	2.7
400.05869	1.9
401.03055	1.2
401.10464	5.5
402.11172	1.3
411.01462	3.5
412.06009	1.2
413.06473	5.4
415.08353	2.1
417.14017	1.1
426.03793	6.7
427.04428	5.2
429.15356	1.9
431.07623	4.1
433.08780	1.0
441.06128	19.9
442.06555	3.8
443.11017	1.2
445.12830	3.7
455.07764	1.5
456.08563	14.4
457.08838	3.7
457.14389	1.8
459.07166	10.9
460.07596	2.3
461.12509	4.0
471.10852	20.1
472.11203	4.3
473.08878	1.0
474.09360	3.6
475.09698	1.2
489.11929	100.0
490.12277	18.2
503.06131	1.3
533.10889	51.8
534.11481	10.7
577.15417	3.8
577.23358	3.3
577.31818	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	577.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86213	0.8
57.03301	1.1
57.65054	0.8
59.01263	5.5
68.99670	0.9
71.01247	3.5
71.34139	1.7
72.99174	1.0
73.02843	1.1
75.00759	1.3
83.64043	0.9
85.02828	1.8
87.00764	5.3
89.02335	2.1
89.03860	1.5
93.03334	4.5
99.00783	1.4
101.02314	1.8
107.04898	1.0
108.02058	3.3
109.02869	1.0
113.02338	2.4
117.03371	4.6
119.04932	22.8
121.02856	3.0
129.03355	1.0
133.02859	2.6
134.03650	6.0
137.02367	8.5
138.01880	25.0
145.02853	7.3
147.04427	12.5
148.33824	0.8
149.02412	1.5
149.05974	1.8
149.93936	0.8
152.01021	1.0
159.04416	1.3
160.01561	1.9
161.02370	14.2
162.03047	1.1
163.00221	1.1
163.03935	37.9
172.72209	1.0
173.04605	0.9
174.03249	1.0
175.03946	2.3
177.00456	1.7
177.01868	17.1
178.02176	1.0
185.02359	3.0
187.03893	1.4
189.01900	9.9
190.02245	1.0
191.03432	4.0
192.04152	2.2
193.04980	4.7
194.05656	1.0
195.04424	1.3
196.05203	1.3
197.02324	0.9
197.06020	3.4
198.03236	1.1
199.03979	1.6
201.05479	1.2
201.09129	1.2
202.06161	1.1
207.02911	1.0
209.06065	2.0
209.08066	0.9
210.03259	1.0
213.01868	2.7
213.05626	0.9
223.03944	2.0
224.04677	2.6
225.01801	2.4
225.05460	2.7
226.02705	1.3
227.03516	1.6
233.00957	5.6
235.04027	1.8
236.04828	1.1
240.04321	1.8
240.07875	0.9
241.01466	2.1
241.05017	2.1
242.02188	1.3
243.02951	0.9
251.03523	2.8
252.04161	1.9
253.01402	1.8
253.05058	8.9
255.03104	2.0
267.03064	1.8
268.03729	4.1
269.00943	2.9
269.04425	2.7
279.02988	4.4
280.03467	1.5
281.01550	1.1
281.04498	3.4
283.02463	1.2
284.03296	4.1
285.03958	2.0
296.03217	1.8
297.00528	2.1
297.04022	4.6
299.05496	2.2
301.04727	1.0
312.02756	7.0
312.06305	2.1
313.03464	6.1
314.08099	1.8
316.07407	1.2
326.05811	1.0
327.05200	3.5
328.05884	3.2
329.04486	1.7
341.04556	1.7
342.07489	16.6
343.08356	7.5
354.05243	1.6
355.08273	1.2
356.06882	1.2
369.07736	1.3
370.04916	2.1
371.05655	2.1
372.06342	1.8
373.09335	3.0
373.25784	1.2
375.05069	1.2
382.04916	1.5
385.06967	1.2
387.08850	1.3
398.04340	2.7
399.05048	2.7
400.05853	1.8
401.10941	2.7
403.08517	1.1
411.01303	4.2
413.06390	4.2
415.08163	2.1
416.05441	1.6
418.13046	0.9
426.03833	3.5
427.04520	3.0
429.10052	1.0
431.07608	3.4
441.06155	14.7
442.06393	3.2
445.13083	2.6
456.08447	12.9
457.08856	3.8
459.07245	10.9
460.07568	2.2
461.12454	4.1
462.33734	0.9
471.10889	18.4
472.11310	3.2
474.09521	4.3
489.11938	100.0
490.12369	16.8
518.08673	1.1
533.10925	58.5
533.29254	1.8
534.11285	11.3
559.22113	1.3
577.08368	1.5
577.15710	3.0
577.32086	1.6
578.16003	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	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70895	0.3
55.71321	0.3
59.01252	20.2
71.01804	0.7
78.95777	6.9
84.09496	0.4
87.00723	0.6
88.39701	0.3
102.09911	0.3
113.08097	0.3
117.95782	0.4
130.16107	0.3
147.04436	1.5
152.99533	0.8
161.02400	0.5
168.04245	1.7
178.30516	0.4
180.08992	0.3
191.03421	0.8
201.05469	0.3
203.49632	0.4
219.10205	0.5
220.10664	0.4
224.06842	1.0
242.07982	2.8
259.20731	0.4
275.20343	0.4
277.21719	100.0
278.22061	10.8
342.07388	1.0
343.06030	0.4
350.10672	0.3
399.05148	0.5
427.04761	0.6
431.07666	0.6
441.05945	1.2
456.08878	0.5
459.07224	1.5
489.11969	3.7
502.29410	28.8
503.06256	1.9
503.29745	4.6
518.08759	1.4
532.09930	0.8
533.10925	17.9
540.82501	0.4
577.10101	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98705	100.0
62.98410	0.2
69.27532	1.7
71.01261	0.3
75.08007	0.2
78.95756	0.3
79.95601	0.3
80.96398	2.0
85.02841	0.2
89.02290	0.2
94.97987	0.6
98.19872	0.5
147.04417	0.5
152.98506	0.3
164.98537	0.3
191.03394	0.5
209.11775	0.2
216.46445	0.2
225.00746	0.4
277.21634	0.5
278.17624	0.2
278.22089	1.0
279.22467	0.5
280.22641	0.5
297.47614	0.2
312.02747	0.3
342.07654	0.5
391.08075	0.2
426.03906	0.2
427.04715	0.2
431.07715	0.5
441.06253	0.6
456.08344	0.2
459.07309	0.7
475.06918	0.2
489.11923	1.7
503.06427	1.3
518.08838	0.4
532.10217	0.4
533.10950	8.0
577.09778	1.2
577.26837	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52385	0.6
59.01255	32.3
62.68030	0.6
62.87991	0.6
71.01285	1.0
72.65948	0.6
78.95309	1.5
78.95781	28.1
78.98495	0.8
79.95590	1.7
80.96388	10.7
87.85228	0.7
94.97964	1.6
106.98000	0.7
113.21786	0.6
117.36704	0.7
119.94614	0.6
145.89546	0.8
147.04425	4.0
148.99034	1.4
152.98503	0.8
152.99486	4.1
164.98515	0.9
168.04230	3.8
191.03380	2.4
194.62199	0.7
197.05978	0.6
211.03934	0.9
224.06888	10.0
225.00745	2.4
242.08080	3.8
277.21725	100.0
278.22092	10.4
295.02524	0.7
297.17636	0.7
303.32086	0.7
312.02802	0.8
342.07397	4.2
355.05896	0.7
365.42630	0.8
371.05606	1.0
372.06403	0.9
387.08868	0.9
399.05124	1.1
402.02240	0.7
427.04459	1.3
431.07669	2.1
441.05939	3.5
456.08456	1.2
459.07260	5.6
471.10867	1.1
473.08630	1.0
475.06964	1.2
489.11923	10.8
502.29440	68.8
503.06274	6.9
503.29755	9.8
518.08521	4.2
532.09326	1.9
533.10895	56.4
577.10126	7.6
577.26910	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	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07054	0.6
59.01249	13.5
61.98697	0.7
63.60302	0.5
71.01254	3.0
72.47083	0.7
73.02842	0.7
85.02821	2.0
89.02305	2.6
95.01255	1.0
101.02316	4.2
104.85186	0.8
106.97546	0.7
108.02056	30.6
109.02264	0.7
109.02852	9.3
113.02328	1.5
119.03407	1.0
151.03900	0.7
152.01060	21.2
153.01834	5.3
161.02342	2.1
161.04488	1.5
162.07173	0.6
165.03471	0.6
187.00316	1.2
189.01898	0.7
209.11826	0.8
235.08203	1.6
253.09274	15.0
254.09589	0.7
277.21881	1.1
279.23288	100.0
280.23645	9.6
295.02441	1.0
307.22787	0.6
342.07208	0.7
457.05383	0.9
531.09515	3.9
575.28607	28.2
576.29010	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
59.82127	0.3
60.95464	0.2
61.98701	100.0
63.96095	0.3
70.39735	0.7
71.01251	1.9
73.02830	0.3
78.98471	1.0
79.95610	2.5
80.96389	15.8
85.02831	0.9
86.25110	0.3
87.00747	0.8
87.86244	0.3
94.97961	3.7
96.95889	0.3
101.02338	0.7
101.37419	0.2
106.97990	0.6
122.97498	0.5
125.02346	1.0
134.97453	1.4
136.99004	0.4
148.99042	1.6
152.98555	1.2
164.98528	2.7
191.03355	0.3
206.99657	0.7
225.00702	3.1
277.21826	1.5
278.22021	1.2
279.22430	0.8
280.22723	0.5
299.04437	0.8
431.08029	0.3
438.45532	0.2
488.10156	0.3
489.12003	1.1
503.06253	0.5
533.10858	4.5
577.11340	0.8
577.26855	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01251	3.1
59.17887	0.3
69.03333	0.8
69.51769	2.6
71.01259	4.5
72.99190	1.0
73.02824	1.7
85.02819	2.3
87.00772	1.0
89.02334	1.7
89.03864	1.0
95.01311	0.5
95.77905	0.3
97.02867	0.4
98.20559	0.4
99.00767	1.6
101.02329	3.4
105.05470	1.2
106.04110	0.5
106.83005	0.3
108.02039	0.4
109.02865	0.5
113.02349	3.4
117.03365	4.0
119.03411	0.3
121.02859	0.6
125.02302	0.5
132.02066	1.4
134.03639	64.7
135.03989	2.8
137.02348	1.4
143.03418	1.0
145.02859	0.6
149.02278	0.6
149.05992	6.7
150.06239	0.4
157.79613	0.4
159.02885	0.5
160.01575	6.0
161.02263	1.2
161.04463	2.3
175.03935	10.0
176.04286	1.0
177.01842	0.7
178.02649	3.6
180.21870	0.4
185.00827	0.4
189.01849	1.1
193.05000	100.0
194.05338	6.5
203.03615	0.4
203.05522	0.7
251.03398	1.1
267.10828	2.5
297.11285	0.3
300.02744	1.0
309.11816	1.9
339.08762	0.7
343.05905	0.4
359.31708	0.3
381.14023	1.5
399.15015	3.2
401.06802	0.4
402.94193	0.4
431.11417	0.9
459.10687	0.8
487.10434	1.8
531.09436	1.4
575.12195	0.5
575.19818	3.7
576.20270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80376	0.5
59.01250	15.3
60.01568	0.5
69.43572	0.5
71.01264	2.8
73.02800	0.8
76.48447	0.6
78.95737	0.6
85.02847	0.7
87.00774	0.6
89.02306	3.3
98.19783	1.4
101.02345	3.7
104.61195	0.5
113.02318	1.4
115.26508	0.5
121.97613	0.5
141.83694	0.5
152.99570	0.8
156.45311	0.6
161.02362	3.0
161.04420	1.2
187.00363	0.7
200.42560	0.5
235.08122	1.3
253.09261	14.3
279.23288	100.0
280.23627	10.5
487.10220	0.6
488.10504	0.5
531.09320	4.7
532.09448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01237	2.4
61.41611	0.3
69.28109	3.1
71.01264	2.1
73.02824	0.8
75.00777	0.3
79.66367	0.3
83.01237	0.3
85.02822	1.6
87.00765	1.5
89.02331	0.5
93.03359	1.2
99.00783	0.7
101.02356	0.9
103.05418	0.5
104.78466	0.3
105.07027	0.5
106.04150	0.9
107.01338	0.3
107.04964	0.4
108.02071	2.7
109.02825	1.7
113.02345	1.1
117.03345	0.9
119.04916	1.4
121.02869	1.1
121.06486	2.1
122.03638	1.1
123.04432	2.5
129.03329	0.5
130.04161	0.7
131.04910	2.1
132.02090	5.3
133.02872	3.1
134.03638	13.2
135.04172	0.7
137.02374	0.8
145.02869	0.4
146.03641	0.6
147.04436	8.8
148.05226	6.5
149.05995	100.0
150.03139	0.6
150.06339	4.7
159.04234	0.4
160.01579	27.5
161.02362	10.3
161.04413	0.4
162.02788	0.9
163.03940	0.7
167.03439	0.5
173.04514	0.7
174.03142	0.4
175.03937	39.6
176.04280	2.3
177.01657	0.5
177.05437	0.5
178.02603	1.3
179.03445	1.1
187.00287	1.5
189.01875	7.5
190.02328	0.6
191.03539	0.4
191.05534	0.7
193.05003	78.9
194.05333	4.7
195.05533	0.3
203.03397	0.6
207.06508	1.5
217.05060	0.4
219.02951	22.9
220.03360	1.2
225.02148	0.4
225.05453	0.4
237.03983	0.4
251.07056	0.8
255.02870	0.4
267.06577	2.0
269.00824	0.5
279.06625	1.5
282.08984	0.9
294.05411	0.6
294.09012	0.4
295.06259	0.4
312.02905	0.5
313.03458	0.8
323.08322	1.9
326.08047	0.4
337.09305	33.0
338.09775	2.5
341.10251	2.7
342.07565	1.6
343.08130	0.6
353.10339	4.8
355.10535	2.5
381.08301	0.9
383.07745	0.5
399.09100	0.7
428.26810	0.4
463.06906	0.9
501.04755	0.8
503.10309	1.0
504.10464	0.4
516.06714	0.4
531.08905	11.5
531.15497	2.2
532.08960	2.3
532.16656	0.5
557.13251	2.2
557.20868	0.6
558.13379	0.5
575.13989	17.9
576.14386	3.1
601.19714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43908	0.6
54.68574	0.5
57.03322	1.5
57.50260	0.6
59.01227	5.7
65.00180	0.6
65.97280	0.6
67.01775	0.9
71.01261	3.3
71.54341	0.7
73.02808	1.5
73.86225	0.6
75.00751	0.8
78.56593	0.5
79.02464	0.6
81.03304	1.4
83.04891	2.4
85.02817	2.8
85.56142	0.6
87.00764	3.7
89.02306	0.8
93.03338	8.6
95.01232	0.8
99.04403	1.0
101.02319	1.5
108.02103	0.8
108.77029	0.6
109.02813	1.2
111.04416	7.2
112.04725	0.9
113.02338	1.5
115.65488	0.6
117.03351	0.7
119.04993	0.8
121.02843	1.9
123.04388	1.8
125.02303	1.5
127.03909	1.1
129.01846	1.5
131.04880	0.7
133.02838	1.5
134.03648	1.4
135.00729	0.6
137.02354	2.8
145.02869	0.8
147.04388	2.4
148.01466	0.6
148.05226	0.6
149.02371	1.6
149.06009	4.2
151.00287	0.8
151.03864	1.8
153.01871	0.8
155.03423	10.1
160.01576	2.4
160.05168	0.8
161.02359	7.5
162.02942	0.7
163.03886	1.1
164.04671	0.9
165.05424	0.8
167.03391	1.7
173.04474	18.2
173.05907	0.6
174.03198	0.7
174.04723	1.1
175.00227	0.6
175.03946	3.1
177.01828	1.0
183.13826	2.2
187.00247	1.7
187.03917	0.6
189.01881	9.9
191.03688	1.2
191.05530	7.0
191.07002	1.0
193.05014	8.7
203.12210	0.6
209.05984	1.1
210.06825	1.1
211.03920	0.8
219.02876	1.0
221.05972	1.3
223.05980	0.8
225.05556	1.0
226.06369	1.2
229.01479	0.7
237.05525	1.7
238.06314	3.6
239.03465	0.7
239.07053	0.8
241.08801	0.7
249.05528	2.0
250.06261	5.0
250.08611	0.8
251.07025	2.3
253.01494	0.7
253.04973	1.5
253.08723	2.5
254.05896	3.0
257.04404	1.1
262.06137	0.8
263.03415	0.8
263.07205	1.3
264.04285	1.2
264.07794	1.1
265.05048	2.5
266.05774	1.0
267.03104	3.0
267.06595	2.7
269.08142	2.2
271.02429	2.0
277.05081	1.8
278.05780	4.4
279.06552	5.7
281.04517	1.6
281.07977	1.0
282.05301	10.8
283.05817	1.9
292.07489	1.8
293.04617	1.4
293.08212	1.9
294.05316	6.0
294.08670	1.3
295.05862	2.3
295.09521	0.8
297.04611	0.5
297.07645	14.6
298.08060	1.9
300.02798	2.1
301.03522	0.7
307.06091	1.7
308.06763	2.2
309.03949	1.8
309.07681	6.4
310.04718	2.7
310.08029	0.7
312.02747	0.8
312.10049	7.0
313.07138	1.0
321.03928	1.0
322.04788	8.4
323.05551	4.1
323.08923	0.8
324.06400	5.6
324.09802	1.3
325.07059	1.9
326.04193	1.4
327.12338	2.6
336.06360	3.9
337.07126	29.1
338.04172	2.1
338.07828	9.9
339.08719	8.1
340.09262	1.8
341.06705	8.7
341.10312	1.1
342.07285	2.7
343.08176	1.3
351.08658	2.9
352.09482	11.7
353.06555	24.8
353.10272	4.5
354.07010	3.1
356.08994	14.1
357.09546	1.7
367.08063	1.6
368.08972	9.3
369.09262	0.8
371.11343	54.6
372.11655	6.9
383.11359	100.0
384.11719	13.3
401.12506	7.2
401.17569	0.7
402.12848	0.7
501.04465	0.9
519.07629	0.7
531.09283	15.7
531.17078	1.0
532.09393	4.8
545.16504	1.0
575.17542	12.9
576.18256	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	575.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18757	0.3
55.01743	0.4
56.46202	0.3
57.03324	0.5
58.10521	0.3
59.01251	4.6
63.40609	0.3
69.03322	2.9
70.35393	1.1
71.01259	5.4
72.99179	1.0
73.02824	1.7
75.00758	0.6
83.01264	0.9
85.02819	3.2
87.00756	2.0
89.02317	2.6
89.03852	1.9
93.03340	0.9
95.01266	0.8
96.95905	0.5
97.02837	0.9
98.98295	0.3
99.00761	3.1
101.02325	4.3
105.05469	1.0
106.04140	0.5
109.02865	1.0
111.00754	0.5
111.04369	0.3
113.02336	4.4
117.03343	6.8
119.03411	0.6
119.04932	0.5
121.02833	0.6
123.00727	0.5
123.04388	0.4
123.59756	0.3
125.02331	0.9
131.03395	0.3
132.02090	2.3
133.02832	0.6
134.03636	84.5
135.03955	2.6
135.06387	0.3
136.01566	0.5
137.02348	2.6
139.03963	0.6
141.01915	0.4
142.76431	0.3
143.03419	0.9
145.02892	3.2
147.04321	0.3
149.02351	0.8
149.05992	8.7
151.00281	0.3
159.02994	0.4
159.04355	0.4
160.01579	8.0
161.02409	2.4
161.04459	2.7
163.03911	0.5
165.05396	0.4
167.04976	0.3
173.04442	0.5
175.03932	13.4
176.04309	0.6
177.01852	1.4
178.02652	4.5
179.03401	0.8
185.00838	1.3
186.03148	0.3
189.01834	1.7
191.05551	1.2
193.05000	100.0
194.05318	3.4
195.04478	0.5
197.05946	0.3
202.59689	0.4
203.03517	0.7
203.05507	0.5
211.04126	0.6
212.04532	0.4
222.03185	0.4
223.03941	0.7
231.02972	0.5
233.00798	0.4
239.03529	0.5
251.03490	4.1
252.03873	0.7
255.02988	0.6
267.03030	0.8
267.10849	2.3
271.02460	1.4
293.04248	0.4
295.02496	0.5
300.02759	1.1
309.11929	1.2
314.05777	0.5
320.72351	0.3
323.05606	0.4
324.06265	1.1
330.05255	0.4
330.79929	0.4
339.08795	1.8
342.05118	0.7
353.04041	0.4
357.07782	0.6
358.04663	0.7
369.03894	0.4
370.04684	0.6
373.07178	0.5
381.13928	1.5
383.07889	0.6
385.07300	0.5
386.04346	0.7
397.03391	0.6
398.04175	0.7
399.15033	2.7
401.06845	1.7
413.06805	0.6
414.03702	0.4
427.06650	0.9
429.06061	1.4
431.11322	2.9
432.11642	0.5
444.08279	0.5
445.09515	0.6
457.05719	1.2
458.10324	0.4
459.10669	2.5
463.10123	0.3
472.08243	0.4
487.10297	7.9
488.10641	1.3
503.09628	1.1
531.09338	4.9
532.09351	0.5
575.12787	0.4
575.20044	4.5
576.20068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67297	0.6
71.01254	1.2
71.03197	1.2
71.80177	0.5
74.23390	0.5
81.77766	0.6
87.00759	5.8
89.03819	1.6
93.03327	0.8
95.04914	0.5
105.03325	0.7
111.00748	2.2
117.03340	1.0
119.04875	0.8
121.02826	1.0
122.03656	0.8
130.99777	1.5
132.02029	0.5
133.02843	8.0
135.04407	0.8
137.02289	0.5
145.02783	1.0
146.03629	1.6
147.00757	0.6
147.04416	4.6
148.05083	1.0
149.01262	0.6
149.02353	2.1
149.05919	0.7
153.69090	0.5
159.00783	1.1
159.04416	1.8
160.01572	0.8
160.05234	0.9
161.02348	42.7
161.05954	1.0
162.02690	2.2
163.03853	0.8
164.04796	0.5
172.05211	2.2
173.02344	0.7
173.05968	2.6
174.06770	2.2
175.03915	0.7
175.07614	5.7
182.03673	0.8
185.06000	2.1
186.06772	1.7
187.00287	11.7
187.03886	1.1
187.07559	2.5
188.00766	0.8
189.01862	57.2
189.09125	1.8
190.02184	2.3
191.03395	3.3
192.04086	1.0
194.03651	0.7
197.02403	0.8
197.05951	0.7
199.07547	3.2
200.04735	0.9
200.08434	0.8
201.05397	0.9
201.09146	3.5
202.06256	0.9
203.03618	0.9
203.07060	1.8
209.11665	0.6
211.03937	1.0
211.07727	1.0
211.13350	4.7
213.05531	0.9
214.06311	1.5
215.07100	3.3
215.10742	1.2
216.07855	0.8
222.03084	0.8
225.01883	1.3
225.09180	1.0
227.03394	1.5
227.10733	0.6
228.07845	0.7
229.08640	2.3
230.99275	0.6
231.06648	0.8
238.02516	1.1
239.03423	2.3
239.07124	0.8
242.02139	0.7
243.10262	5.5
244.10916	0.9
245.08136	1.4
251.03651	0.7
253.01369	1.0
255.02962	0.7
266.02203	1.0
268.03922	0.9
269.00879	2.3
269.15881	0.6
270.01520	1.1
275.12808	1.1
276.13702	1.2
281.00793	1.3
282.01678	1.1
283.02490	1.5
283.13443	0.7
284.03201	2.2
285.03986	0.8
287.09305	0.8
288.09970	0.6
295.02319	0.8
296.03360	0.9
297.00357	1.2
297.14911	1.4
298.01160	0.7
299.05563	2.4
301.14542	1.0
302.05795	0.7
304.16818	2.0
310.01294	1.8
311.01865	1.9
311.13043	0.8
311.16663	0.7
312.02676	4.1
313.03461	3.8
314.07965	2.1
315.15894	1.9
327.05133	1.9
328.05884	1.5
329.13876	2.1
330.05225	0.9
332.03125	0.7
339.15961	2.5
341.04248	0.8
342.07550	10.5
343.08124	4.5
343.15448	1.1
346.10452	1.5
348.15918	0.8
352.12958	1.2
353.13757	1.7
357.03839	0.8
357.16995	2.2
358.04633	1.1
358.17740	0.8
369.04205	0.7
370.04642	0.9
385.07523	0.8
386.04272	1.1
387.05035	0.7
388.10202	0.8
401.06882	1.1
405.02356	1.4
414.03378	0.6
417.06015	0.7
429.06363	1.2
433.01846	1.2
445.05496	1.9
455.03873	1.1
455.24222	1.1
457.05701	0.9
459.11349	0.9
460.17319	1.5
463.06488	4.3
464.06735	1.0
469.02115	1.1
473.05380	2.7
483.03568	2.1
487.10425	2.9
499.23315	2.4
501.04523	3.4
502.04898	0.9
503.09872	8.0
504.09857	1.0
513.08081	2.3
516.07074	1.9
531.09326	100.0
532.09613	16.0
543.22247	1.7
557.07281	1.4
575.08276	1.6
575.25275	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	575.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01190	12.0
63.04335	1.5
68.28354	1.6
69.14701	1.4
71.01246	5.1
71.03185	2.6
72.99191	2.3
75.00742	1.6
85.02823	3.4
87.00771	5.1
88.10866	1.6
93.03316	2.5
101.02313	2.9
109.02878	3.0
117.03375	1.4
117.79388	1.4
119.04860	1.7
121.02834	1.6
123.00819	1.8
123.04430	1.9
132.69890	1.5
133.02844	1.8
134.03682	2.4
137.02336	2.7
147.04381	2.3
149.02322	2.1
149.05966	3.1
161.02359	14.1
163.03935	1.8
173.04399	3.2
177.01834	3.8
187.00371	3.1
189.01877	12.4
191.05550	2.2
193.04990	3.5
195.04436	1.8
201.05440	2.0
211.03929	2.2
239.03369	3.8
253.01190	2.3
255.02934	2.7
266.02322	3.5
267.02914	3.4
283.02591	2.1
295.02487	9.9
296.02847	2.2
306.01273	1.7
313.04184	1.6
322.01147	6.0
328.03610	1.6
343.08380	1.9
346.04468	2.1
349.03638	4.0
357.04321	1.7
358.05078	3.6
386.04205	2.1
401.06638	2.6
402.03577	2.6
403.04178	1.9
407.07608	4.3
429.05820	3.1
430.02948	1.9
442.03195	2.8
445.05536	4.9
457.05750	3.2
458.02896	2.0
463.06372	2.0
473.05084	11.0
474.05338	2.4
487.10406	5.0
488.07611	3.7
501.04880	3.6
503.09863	49.2
504.10269	8.0
516.06635	5.8
531.09332	100.0
532.09637	17.5
575.22009	4.1
576.74567	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	573.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03331	7.0
58.00483	1.1
59.01255	21.6
65.82718	1.0
68.99698	1.9
69.03317	1.8
69.19006	7.1
69.19424	3.2
71.01253	25.5
71.04907	1.0
72.99184	8.4
73.02833	4.8
75.00749	20.5
82.44440	1.0
83.01254	1.6
85.02828	27.2
87.00748	9.9
89.00379	0.9
89.02329	5.4
89.03824	1.8
93.03362	1.5
95.01299	5.9
96.95897	1.2
97.02821	1.5
98.19776	2.0
99.00766	16.4
101.02336	3.2
101.05959	1.2
103.00246	3.7
109.02824	2.4
111.00724	2.0
113.02332	30.7
115.00281	2.4
115.03879	1.0
117.01805	2.8
117.03387	5.1
119.04895	1.5
120.05285	1.0
121.02834	1.8
123.04388	2.0
129.01825	2.5
131.03453	1.2
132.02155	2.0
133.02850	5.9
134.03635	68.7
135.03970	2.5
137.02373	3.2
139.00336	1.4
147.04457	4.9
147.06537	100.0
148.01450	1.2
148.06906	3.2
149.02394	1.5
149.05980	8.1
151.03893	1.3
153.01817	1.7
157.01414	2.0
160.01593	9.2
161.02371	3.0
163.03929	2.8
170.57661	1.2
173.04515	1.4
175.02428	3.6
175.03932	12.5
177.01848	2.5
181.04970	1.2
190.02682	1.1
191.03418	14.0
191.05235	1.8
193.03448	8.5
193.04996	41.4
194.05359	1.7
203.46288	1.0
219.03020	3.4
220.01660	1.1
227.07129	1.1
231.05128	4.0
249.06129	32.7
250.06664	1.9
267.07248	3.3
276.06366	1.2
285.04254	1.2
291.08591	1.1
300.02826	1.1
313.03519	8.7
314.03796	1.2
328.05823	3.3
343.08154	10.4
363.10797	1.6
368.07748	2.0
369.07968	2.4
379.12390	2.8
381.11935	2.2
397.13519	77.7
398.13748	6.3
407.09695	1.2
425.11029	11.9
426.11148	1.4
432.16010	1.3
443.11850	1.5
553.36963	1.1
573.18262	64.4
574.18591	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	575.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67297	0.6
71.01254	1.2
71.03197	1.2
71.80177	0.5
74.23390	0.5
81.77766	0.6
87.00759	5.8
89.03819	1.6
93.03327	0.8
95.04914	0.5
105.03325	0.7
111.00748	2.2
117.03340	1.0
119.04875	0.8
121.02826	1.0
122.03656	0.8
130.99777	1.5
132.02029	0.5
133.02843	8.0
135.04407	0.8
137.02289	0.5
145.02783	1.0
146.03629	1.6
147.00757	0.6
147.04416	4.6
148.05083	1.0
149.01262	0.6
149.02353	2.1
149.05919	0.7
153.69090	0.5
159.00783	1.1
159.04416	1.8
160.01572	0.8
160.05234	0.9
161.02348	42.7
161.05954	1.0
162.02690	2.2
163.03853	0.8
164.04796	0.5
172.05211	2.2
173.02344	0.7
173.05968	2.6
174.06770	2.2
175.03915	0.7
175.07614	5.7
182.03673	0.8
185.06000	2.1
186.06772	1.7
187.00287	11.7
187.03886	1.1
187.07559	2.5
188.00766	0.8
189.01862	57.2
189.09125	1.8
190.02184	2.3
191.03395	3.3
192.04086	1.0
194.03651	0.7
197.02403	0.8
197.05951	0.7
199.07547	3.2
200.04735	0.9
200.08434	0.8
201.05397	0.9
201.09146	3.5
202.06256	0.9
203.03618	0.9
203.07060	1.8
209.11665	0.6
211.03937	1.0
211.07727	1.0
211.13350	4.7
213.05531	0.9
214.06311	1.5
215.07100	3.3
215.10742	1.2
216.07855	0.8
222.03084	0.8
225.01883	1.3
225.09180	1.0
227.03394	1.5
227.10733	0.6
228.07845	0.7
229.08640	2.3
230.99275	0.6
231.06648	0.8
238.02516	1.1
239.03423	2.3
239.07124	0.8
242.02139	0.7
243.10262	5.5
244.10916	0.9
245.08136	1.4
251.03651	0.7
253.01369	1.0
255.02962	0.7
266.02203	1.0
268.03922	0.9
269.00879	2.3
269.15881	0.6
270.01520	1.1
275.12808	1.1
276.13702	1.2
281.00793	1.3
282.01678	1.1
283.02490	1.5
283.13443	0.7
284.03201	2.2
285.03986	0.8
287.09305	0.8
288.09970	0.6
295.02319	0.8
296.03360	0.9
297.00357	1.2
297.14911	1.4
298.01160	0.7
299.05563	2.4
301.14542	1.0
302.05795	0.7
304.16818	2.0
310.01294	1.8
311.01865	1.9
311.13043	0.8
311.16663	0.7
312.02676	4.1
313.03461	3.8
314.07965	2.1
315.15894	1.9
327.05133	1.9
328.05884	1.5
329.13876	2.1
330.05225	0.9
332.03125	0.7
339.15961	2.5
341.04248	0.8
342.07550	10.5
343.08124	4.5
343.15448	1.1
346.10452	1.5
348.15918	0.8
352.12958	1.2
353.13757	1.7
357.03839	0.8
357.16995	2.2
358.04633	1.1
358.17740	0.8
369.04205	0.7
370.04642	0.9
385.07523	0.8
386.04272	1.1
387.05035	0.7
388.10202	0.8
401.06882	1.1
405.02356	1.4
414.03378	0.6
417.06015	0.7
429.06363	1.2
433.01846	1.2
445.05496	1.9
455.03873	1.1
455.24222	1.1
457.05701	0.9
459.11349	0.9
460.17319	1.5
463.06488	4.3
464.06735	1.0
469.02115	1.1
473.05380	2.7
483.03568	2.1
487.10425	2.9
499.23315	2.4
501.04523	3.4
502.04898	0.9
503.09872	8.0
504.09857	1.0
513.08081	2.3
516.07074	1.9
531.09326	100.0
532.09613	16.0
543.22247	1.7
557.07281	1.4
575.08276	1.6
575.25275	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	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.97516	0.7
61.98691	0.8
78.95780	62.4
79.43160	0.6
96.96840	13.7
98.19830	1.8
152.99495	62.5
153.99742	0.7
197.76433	0.6
223.00070	1.9
241.01167	33.0
242.01491	1.9
247.00752	0.6
255.23277	71.8
256.23624	6.7
315.04868	10.8
317.69672	0.7
391.22534	5.9
392.22961	0.7
503.71548	0.7
571.28888	100.0
572.29218	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	571.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.0
60.39483	2.0
61.65998	2.2
61.98709	2.7
66.94236	1.9
69.98572	10.5
71.01261	16.8
73.02830	7.8
75.00758	6.3
79.77240	2.0
85.02838	3.6
89.02326	6.5
98.19888	3.8
98.36934	1.9
101.02328	41.4
115.18288	2.1
121.16056	1.9
130.18959	2.1
147.61978	2.1
163.31670	1.9
223.06078	2.5
233.95049	2.7
277.21725	100.0
278.22070	8.0
287.23724	2.7
291.23367	5.0
319.22775	26.1
320.23123	2.6
331.22827	3.0
349.23807	7.5
408.08255	2.3
445.16202	2.1
531.38135	2.0
571.16174	6.9
571.28412	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	571.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
56.25740	0.2
57.03312	0.3
59.01246	2.6
61.98687	0.5
66.48696	0.2
69.03335	0.3
69.37652	0.4
69.38064	1.2
71.01260	4.1
72.99181	0.5
73.02815	1.4
73.06480	0.2
75.00761	0.4
78.70494	0.2
83.01273	0.6
83.04884	0.3
85.02823	2.0
87.00753	2.0
89.02324	2.0
89.03850	1.3
93.03342	1.7
95.01227	0.3
96.95897	0.4
99.00755	3.4
101.02328	2.0
101.05976	0.5
101.86568	0.2
105.64349	0.3
106.04139	0.3
107.01274	0.3
107.04903	0.3
108.02062	0.4
109.02869	0.6
111.00705	0.3
113.02330	3.1
114.85892	0.2
117.03344	5.8
119.03426	0.3
119.04948	0.5
121.02895	0.4
123.00693	0.2
123.04420	0.5
124.01556	0.3
124.11243	0.2
125.02359	0.4
125.49156	0.2
131.03419	0.5
132.02098	2.4
133.02852	0.7
134.03633	82.6
135.03943	3.5
136.07578	0.2
137.02344	5.2
137.05991	0.3
138.02647	0.3
139.03954	0.6
145.02798	0.3
146.03546	0.4
147.04430	1.1
148.05212	0.3
149.02342	0.8
149.05997	8.6
150.03151	0.7
150.06293	0.5
153.01883	0.2
159.02950	0.3
159.04419	0.3
160.01573	9.1
161.02072	0.5
161.04512	1.2
163.03918	0.9
165.01912	0.4
165.05466	1.0
167.03418	0.3
173.04495	0.4
173.05945	0.4
175.03926	11.8
176.04181	0.5
178.02637	1.9
179.03325	0.4
179.07072	0.4
185.05922	0.3
187.07478	0.3
191.03513	0.3
191.05449	0.5
192.03999	0.3
193.04996	100.0
194.05334	6.6
195.06529	0.2
219.02943	0.4
243.10246	0.5
244.10585	0.3
245.10828	0.4
263.11374	0.3
266.20102	0.2
313.07120	0.3
377.14633	1.2
379.11597	0.2
395.15332	1.1
523.19702	0.8
553.12323	0.4
571.12073	0.4
571.20410	4.6
572.20789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3002
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01247	0.9
63.96115	1.2
65.80952	0.4
69.03314	0.7
71.01255	7.1
72.74866	0.4
73.02823	1.6
78.98466	5.9
79.95612	9.9
80.96394	65.1
81.03337	1.1
85.02828	2.7
86.96676	0.4
87.00777	2.4
92.52312	0.4
94.97966	14.4
95.01311	0.4
96.95897	1.3
97.02815	1.7
99.59354	0.4
101.02319	2.1
106.97983	3.7
122.97453	2.9
125.02374	2.7
127.03922	0.9
134.97495	4.7
136.99055	1.7
146.97539	0.5
148.99040	6.3
152.98564	4.8
164.98546	10.3
188.98566	0.5
206.99634	2.3
225.00699	14.9
233.62437	0.5
239.14442	0.5
261.84811	0.5
262.43439	0.4
269.24857	2.7
299.04401	3.7
302.20248	0.5
419.12732	0.5
502.54648	0.5
569.30011	100.0
570.30365	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	569.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60224	1.2
54.05209	1.2
55.01748	1.2
57.03326	2.4
59.01251	18.6
65.03857	1.3
67.01743	2.4
68.70041	1.2
69.03308	2.5
69.61739	1.2
71.01249	24.5
72.99205	6.3
73.02827	7.7
75.00748	13.9
81.03309	2.2
83.01247	4.7
83.04897	7.4
85.02823	22.6
87.00761	7.5
89.02323	13.3
92.92210	1.3
93.03334	26.5
95.01265	5.7
97.02816	1.5
99.00746	12.6
99.04401	1.7
101.02345	6.7
103.00216	3.1
109.02836	5.3
111.00765	3.2
111.04407	23.0
113.02326	27.6
114.02645	1.4
115.62270	1.2
117.01820	2.0
117.03349	5.2
117.05418	1.2
119.03404	2.1
119.04913	24.8
121.02814	2.1
123.04433	1.8
125.02360	1.8
129.01843	3.1
134.03584	1.8
135.04257	1.5
137.02327	9.8
143.03394	2.0
145.02866	20.4
146.03394	1.4
147.04424	3.5
147.95224	1.4
148.05225	1.8
149.05952	4.6
155.03427	7.1
157.01349	1.6
159.04411	1.8
161.06052	2.1
163.03922	26.7
165.04057	1.5
165.05571	1.7
171.04393	2.1
171.10147	5.0
172.04968	1.5
173.04478	13.7
173.05983	3.9
174.03198	1.7
175.02428	3.2
175.03880	1.8
187.07687	2.2
191.05547	2.2
193.03482	3.7
193.05035	2.6
201.05478	1.4
203.07224	1.4
209.11777	9.4
219.02937	2.3
227.12866	3.7
235.05925	1.5
237.07652	1.6
243.10301	1.5
245.12260	1.3
249.06093	17.3
249.84201	1.3
250.24776	1.6
261.04022	3.1
261.07495	1.4
261.71118	1.3
267.07227	22.0
268.07336	1.9
273.04025	1.6
291.06683	1.6
306.61615	1.4
341.10983	9.7
351.10721	2.1
381.96533	1.3
395.09955	5.2
405.10489	2.1
406.11172	1.6
413.10913	10.9
414.10843	2.1
423.11420	49.1
424.11758	5.8
551.12177	3.1
569.15063	100.0
570.15424	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55830	1.0
57.03346	1.3
59.01255	5.7
67.01762	1.0
68.99691	1.3
69.21528	11.7
71.01265	5.4
73.02848	1.5
85.02848	2.8
87.00742	3.1
93.03344	1.4
99.00769	1.3
101.02330	2.0
108.02048	2.3
109.02854	3.6
111.00786	2.2
113.02335	2.9
117.03364	5.2
118.34980	1.3
119.04921	57.7
120.05233	1.8
121.02818	5.6
121.06532	1.5
122.03598	2.4
123.04400	2.1
124.01518	1.5
129.03346	1.1
133.02827	3.6
135.04456	1.6
137.02348	43.9
139.03914	16.6
145.02849	22.5
146.03613	5.2
147.04425	81.0
148.05226	38.3
149.02422	1.5
149.05997	50.1
150.03166	1.2
150.06329	2.3
159.04424	3.3
160.05202	1.4
161.04521	2.4
162.03253	1.4
163.03920	100.0
164.04469	4.7
172.05273	2.4
173.06013	4.0
174.03171	2.4
175.03915	13.9
183.85905	1.1
185.06012	6.4
186.06636	1.7
187.03909	5.2
188.04703	4.7
189.09125	1.1
191.03508	3.1
192.04207	26.8
193.04962	13.5
195.04399	1.3
196.05222	5.2
197.06052	4.7
199.03871	2.8
199.07663	3.0
200.04753	5.1
200.08337	1.7
201.05516	4.1
202.06033	1.4
207.02910	4.4
209.06096	2.7
210.06889	3.7
211.03986	3.4
211.07553	1.6
212.04701	2.5
213.05618	5.5
213.09142	4.4
214.06302	13.8
215.06918	3.7
215.10681	7.7
216.07628	1.6
218.02167	3.0
219.02937	47.8
220.03232	2.0
221.26376	1.4
223.07632	1.7
224.03195	3.9
225.09210	9.6
226.09685	2.0
227.07057	3.6
228.07938	1.5
232.03511	2.5
235.02597	1.4
236.03242	10.8
237.03905	9.4
240.04247	5.5
241.08626	9.3
242.09315	2.4
243.10236	47.1
244.10629	5.0
255.02893	1.3
259.09848	1.7
269.08173	2.7
287.09259	32.6
288.09659	3.5
295.06238	1.9
296.06647	1.3
297.98853	1.4
313.07120	8.7
331.08057	7.0
332.08441	1.4
423.14990	2.5
445.12842	2.9
489.12009	2.3
507.12814	2.5
521.18115	2.3
533.10687	4.3
551.12079	18.1
552.12177	3.3
569.11786	9.3
569.20325	2.3
570.13336	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	569.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.9
57.19707	1.5
58.00431	2.0
59.01258	21.4
61.66653	1.6
61.89801	1.7
67.01759	2.6
69.03320	3.8
69.70525	6.2
69.70933	3.9
71.01250	25.1
72.99178	6.0
73.02808	9.2
75.00743	10.3
76.92558	1.8
81.03345	2.7
83.01265	3.0
83.04900	3.7
85.02824	23.8
87.00745	10.1
89.02326	10.4
93.03323	24.7
95.01276	2.7
96.95908	3.6
97.02869	1.8
99.00750	13.3
99.04382	2.5
101.02327	8.0
103.00290	3.0
108.02029	2.1
109.02841	5.2
109.24490	1.8
111.00723	3.8
111.04377	17.2
113.02339	18.6
115.00281	3.1
117.01826	3.2
117.03341	4.5
117.53124	1.7
119.03443	1.8
119.04910	20.7
121.02831	6.3
121.03719	1.5
123.04446	4.4
125.02345	1.8
129.01872	1.8
131.03485	2.1
135.04387	2.0
137.02354	10.7
145.02849	19.4
147.04422	6.8
148.05144	2.1
149.06003	8.8
152.01100	2.6
153.01807	2.6
155.03392	4.4
159.04346	2.3
161.02383	1.6
163.03909	19.0
166.06694	1.5
171.10155	11.1
173.04472	11.1
175.02422	3.1
175.03935	2.8
175.07646	2.4
179.05463	1.8
185.06004	2.4
187.03871	2.3
187.07600	2.9
188.04480	2.0
191.05528	3.8
193.04982	3.5
201.05493	2.5
201.09163	2.3
207.04935	2.2
209.11728	3.9
213.05295	2.4
214.06293	1.9
219.02914	3.5
225.09251	1.8
227.12854	2.9
243.10274	5.7
249.06215	10.4
267.07196	19.2
287.09341	2.2
333.09930	2.1
341.10919	3.6
385.16977	1.7
395.09689	3.9
397.13290	4.5
413.10837	6.6
415.14673	4.1
423.11453	34.5
423.16763	3.4
424.12054	3.5
445.12894	1.8
569.15063	100.0
570.15399	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	569.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34022	1.2
59.01246	4.2
66.35814	1.3
66.82774	1.1
69.22712	5.2
69.23145	6.0
71.01257	4.2
83.01283	1.2
85.02811	2.1
87.00754	4.7
93.03353	1.7
97.06487	1.9
97.23473	1.1
99.00749	2.3
99.03160	1.5
101.02295	1.6
108.02018	2.5
109.02850	5.5
111.00755	2.3
113.02321	2.1
117.03349	4.4
119.04917	45.8
120.05183	1.8
121.02846	4.6
121.06445	2.0
122.03664	2.4
123.04414	2.9
130.04135	1.2
131.04907	1.7
133.02811	2.9
135.04456	2.0
137.02350	39.3
138.02710	1.2
139.02797	1.6
139.03905	14.1
145.02864	20.3
146.03606	4.4
147.04424	60.5
148.05215	29.6
149.05988	50.2
150.06277	2.6
157.46106	1.2
159.04375	2.4
159.55019	1.2
161.02341	1.7
161.04485	1.8
161.05966	1.4
163.03923	100.0
164.04349	3.7
171.04483	1.2
172.05200	3.8
173.05991	4.3
174.03191	2.9
175.03934	16.2
177.49307	1.1
181.97972	1.2
185.05959	4.8
186.06706	2.0
187.03954	6.0
188.04684	4.4
189.01843	1.7
189.05490	1.4
190.51688	1.2
191.03394	4.7
192.04234	25.3
193.05017	15.5
195.04398	1.6
196.05275	5.5
197.05916	2.6
197.09599	1.5
199.07558	2.5
200.04736	6.2
201.05417	2.7
207.02908	4.7
209.05978	2.1
210.06714	2.2
211.03932	4.8
211.07541	2.7
212.04767	1.7
213.05508	4.0
213.09158	3.9
214.06302	13.7
214.09709	1.4
215.07083	4.2
215.10744	8.5
217.01411	3.1
218.02177	5.5
219.02934	80.4
220.03264	6.5
224.03195	2.4
225.09158	13.8
226.09811	3.0
227.07079	2.2
228.07816	1.2
232.03658	2.3
235.02495	1.4
236.03212	10.9
237.03967	14.3
240.04169	6.2
241.08667	10.0
242.09373	4.8
243.10236	63.3
244.03792	1.1
244.10600	6.2
259.09726	2.6
260.52362	1.5
269.08228	8.1
270.08801	2.0
273.07654	1.2
287.09247	36.4
288.09583	4.4
295.05997	1.6
313.07162	17.0
314.07452	1.8
331.08160	10.8
332.08435	1.6
333.09970	1.4
405.14075	1.5
423.15182	2.0
445.12799	6.2
489.11981	3.6
507.12851	2.9
532.18286	1.3
533.10950	13.0
534.11017	1.2
551.11926	32.7
552.12671	6.1
566.02557	1.2
569.11969	15.2
569.18976	3.4
570.12842	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	569.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99530	5.5
59.01246	14.3
68.35561	5.4
71.01251	7.2
71.52715	6.2
75.00734	7.6
85.02839	6.7
87.00755	10.8
89.02300	9.3
93.03330	9.9
99.00777	17.0
103.84889	5.5
109.02851	17.6
111.00752	15.6
119.04900	9.6
121.02876	7.2
127.00276	18.1
133.02879	13.8
134.03610	8.5
135.04445	8.1
137.02315	17.5
139.03969	6.8
143.04965	14.5
145.02876	13.9
146.03633	28.1
147.04413	59.2
148.05229	13.0
149.02359	8.7
149.05983	76.0
150.03146	16.6
151.03807	6.2
159.04434	42.1
160.05165	7.8
161.02367	14.1
161.05992	19.1
169.06430	6.2
170.03644	15.6
171.04422	34.8
172.05200	34.4
173.02367	10.7
173.05988	91.0
174.03113	52.0
174.06676	18.3
175.03909	41.9
175.07532	14.6
177.23909	6.0
183.04446	12.4
185.05998	27.0
186.06664	9.7
187.03979	50.0
187.07521	15.8
188.04729	41.6
189.05473	64.1
189.09155	11.3
190.06233	9.1
191.03453	8.9
191.05449	10.4
191.06995	13.2
192.04131	8.6
193.05045	14.9
197.05988	10.9
198.03160	24.3
199.03900	20.0
199.07574	46.9
200.04692	14.2
201.05492	29.2
201.09152	59.9
203.06984	10.8
203.10802	8.8
210.06833	14.6
211.04005	14.6
212.04759	7.5
213.05495	17.0
214.06230	9.5
215.03529	30.5
215.07063	22.4
217.05016	21.8
219.02965	17.9
225.09091	28.2
227.03548	6.9
227.07054	21.7
228.04051	6.0
229.05069	20.7
229.08646	14.8
233.04437	11.0
235.06183	9.5
241.08728	11.5
242.02193	21.2
243.02983	16.0
243.10197	8.6
255.03081	8.6
257.04681	7.1
259.02505	9.1
260.03101	11.2
261.04001	91.7
262.04315	8.8
271.02432	10.2
271.02878	10.9
271.06116	73.0
273.04117	23.6
273.07678	48.4
297.51154	5.8
305.07990	6.8
306.12555	7.2
317.08130	14.1
331.09692	11.6
343.09503	8.8
345.11389	20.1
347.13007	9.2
363.12457	6.1
373.14474	9.0
375.15875	17.0
377.10306	7.3
383.13162	8.5
389.10501	9.5
401.13864	35.6
419.14987	9.0
427.12274	9.6
433.09317	7.7
445.12769	29.0
446.13571	6.4
463.14032	9.9
463.22638	6.2
489.11914	21.9
507.12494	8.7
515.09515	7.9
517.00977	6.3
533.10889	79.0
534.11194	19.1
551.12036	100.0
552.12781	12.8
569.13654	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54982	1.6
56.45875	1.4
59.01239	5.8
72.08257	1.4
85.02800	2.1
87.00762	8.1
93.03333	3.3
94.49809	1.5
97.06460	2.9
101.02373	1.9
105.03307	1.5
109.02846	6.3
111.00740	2.2
113.02328	2.0
119.04904	5.2
121.02872	6.0
121.06474	2.5
122.03683	2.0
123.04462	3.0
130.04187	2.0
131.04956	2.3
133.02847	3.6
135.04379	3.0
135.95387	1.6
137.02339	54.1
138.02673	3.4
139.03905	19.4
145.02852	4.0
146.03633	7.4
147.04424	100.0
148.05225	46.0
149.05997	54.4
150.06331	1.7
151.03886	2.1
159.04417	5.2
160.05251	1.8
161.02286	1.8
163.03908	8.2
164.04675	2.8
165.03957	2.1
165.05399	1.9
171.04456	2.0
172.05200	6.0
173.05995	5.4
174.03033	3.7
175.03902	23.6
185.05984	4.7
186.06731	1.9
187.03941	7.6
187.07503	2.1
188.04634	7.2
189.01852	2.0
191.03403	7.6
191.05287	2.5
192.04219	24.9
193.04990	17.4
196.05197	7.4
197.05988	5.7
199.03979	3.3
199.07518	2.3
200.04765	7.5
200.08354	2.1
201.05440	3.7
207.02809	3.9
209.05928	1.9
210.06747	3.3
211.03900	4.4
211.07446	2.7
212.04791	2.6
213.05492	7.3
213.09158	4.0
214.06296	18.3
215.06947	4.9
215.10762	9.8
217.01445	3.3
218.02147	6.3
219.02939	91.7
220.03331	5.5
222.79999	1.6
224.03165	4.7
225.05385	1.4
225.09161	17.2
226.09790	3.4
227.07121	3.8
228.07809	1.8
232.03787	3.4
236.03236	11.4
237.03918	9.2
240.04247	5.6
240.69518	2.1
241.08652	12.8
242.09306	2.6
243.10239	66.2
244.10622	6.8
269.08252	8.2
270.08813	2.5
287.09256	42.9
288.09647	5.2
290.12698	2.0
313.07120	14.9
331.08182	7.0
333.09897	2.6
358.06845	2.0
410.06656	2.1
445.12787	5.3
446.13785	2.5
489.12042	2.6
507.12793	3.9
533.10931	6.9
550.20282	1.9
551.11890	32.3
552.12085	3.6
569.12921	17.2
570.13116	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53037	0.7
54.96542	0.7
55.65968	0.6
59.01262	2.3
61.98689	0.8
69.03346	0.9
69.46938	1.3
69.47336	3.9
70.14571	0.7
71.01255	3.4
72.99173	1.3
73.02818	1.3
83.01278	0.6
85.02821	3.4
86.12973	0.7
87.00768	0.9
89.02343	1.2
93.03338	18.9
95.01295	1.0
97.02844	0.7
98.19812	1.4
99.00782	1.6
101.02320	1.6
108.02058	53.2
109.02276	0.9
109.02864	12.2
113.02315	2.6
121.02816	0.9
123.00790	1.2
123.04437	0.8
125.02326	0.9
134.03607	1.1
135.04457	1.1
137.02342	26.3
138.02658	1.2
145.02757	0.8
147.04417	1.0
149.05971	1.6
151.03908	1.8
152.01062	100.0
153.01614	5.0
155.30026	0.7
161.04591	0.9
161.05969	0.7
163.03894	4.3
177.01872	1.5
179.03340	0.7
191.03583	0.8
191.05612	1.0
193.05080	2.0
207.02924	1.6
240.64420	0.7
257.30298	0.7
260.59744	0.7
289.19635	0.8
429.10367	22.1
430.10535	2.8
447.11432	22.7
448.11838	2.2
523.12500	1.9
549.13757	0.7
567.13525	97.7
568.13983	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	567.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28006	0.6
55.01760	0.8
57.03328	1.7
58.95391	0.6
59.01252	12.3
61.98703	0.9
65.03841	0.8
68.99703	1.4
69.03335	2.0
71.01256	11.2
72.01573	0.8
72.99185	3.2
73.02807	1.3
75.00739	4.2
78.18169	0.6
79.05408	1.9
81.03373	0.7
83.04896	1.3
85.02824	11.0
87.00726	5.5
88.04175	0.5
89.02325	1.5
93.03336	73.3
94.03669	3.2
95.01268	2.3
97.02854	0.6
97.06508	1.2
99.00758	3.1
101.02339	2.5
107.04909	0.7
108.02056	44.3
109.02868	14.8
110.03123	0.7
111.00780	1.2
113.02333	11.8
113.05975	1.5
114.02647	0.7
115.00235	1.0
119.04919	1.0
121.02814	3.2
122.03643	1.3
123.00757	1.1
123.04439	1.8
124.01580	0.7
125.02351	1.5
125.05936	0.7
129.01784	1.3
134.03642	1.6
135.04466	1.2
137.02347	95.7
138.02666	5.0
145.02846	1.5
147.04459	3.7
148.05188	0.7
149.02455	0.8
149.05997	2.9
149.09627	2.4
150.03008	0.6
151.00209	0.9
151.03772	0.8
151.07513	0.7
152.01060	100.0
153.01768	6.9
159.04433	1.3
163.03954	5.8
163.05199	0.9
164.04506	0.7
165.04068	0.7
165.05466	1.7
168.00519	0.6
173.05887	1.0
175.02477	0.7
175.03996	1.4
175.11179	6.0
177.01804	1.2
177.09129	1.5
187.03955	0.9
192.03969	0.6
193.04964	2.2
193.08559	1.2
201.05434	1.0
201.09323	0.8
207.02916	0.9
207.69482	0.6
219.02963	1.7
219.10121	1.3
221.08089	0.9
227.03479	1.9
237.11317	2.0
243.10301	1.0
243.41379	0.6
249.06163	7.9
249.08568	1.2
250.06429	0.9
251.07419	0.6
255.03018	3.5
256.03671	0.8
267.07196	19.1
268.07443	0.8
268.48999	0.6
278.05807	0.7
279.06631	1.2
281.10205	2.3
284.03198	2.8
285.03891	0.9
293.08237	2.6
294.08896	0.8
297.06210	1.2
303.03339	0.8
307.05991	1.1
308.07001	0.8
315.07141	2.9
323.09268	1.2
333.10031	0.7
362.16699	1.2
363.09363	1.7
364.05875	1.1
391.15695	1.0
417.13248	0.8
429.10361	97.6
429.95935	0.6
430.10773	10.7
447.11301	2.8
461.12262	1.9
505.11169	1.4
506.21152	1.8
507.21512	2.4
523.11987	0.9
524.14252	0.9
524.21606	1.2
525.22314	2.0
549.10474	1.9
567.13263	44.7
568.13745	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	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
59.01250	8.7
69.44019	4.2
71.01251	4.7
71.04867	0.7
71.90755	0.5
73.02832	0.9
77.05709	0.5
83.01241	1.0
85.02839	1.9
87.00738	1.2
89.02314	2.1
99.00745	0.8
101.02325	3.1
105.03356	0.8
105.09943	0.5
107.63022	0.5
108.02040	1.0
109.02825	2.5
113.02354	1.8
117.03332	2.1
119.04888	0.5
121.02850	1.7
125.02323	1.0
132.02066	17.2
133.02892	3.8
134.03633	22.7
135.04488	3.7
137.02344	2.1
139.03873	0.6
139.07588	0.6
147.04482	1.3
149.04926	0.7
149.05962	4.5
150.06413	0.5
155.10670	1.9
158.80492	0.6
159.04436	0.8
160.01566	86.1
161.01956	4.9
161.05818	0.6
163.03896	0.6
174.03188	0.5
175.03923	95.4
176.04253	6.3
177.01799	0.7
177.05507	0.8
178.02631	2.2
179.03407	1.1
189.05499	0.7
193.04987	22.5
194.05360	1.0
203.06987	0.7
207.06740	0.6
227.16502	1.2
233.06483	0.6
235.06061	0.7
263.14334	0.5
271.09723	5.8
285.41507	0.5
293.08755	1.0
318.95630	0.6
331.03751	0.5
341.17465	0.8
342.18018	0.7
343.32886	0.6
389.18323	1.3
467.71793	0.6
473.04053	0.5
489.71954	0.6
490.21561	0.6
505.33698	2.1
523.34558	0.6
565.26532	100.0
566.18231	1.0
566.26941	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	567.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	26.4
69.20579	15.6
69.21004	38.8
71.01260	11.7
73.02799	6.3
85.02810	17.2
87.00755	14.9
87.52314	4.9
89.02298	5.2
93.03326	6.3
100.88789	5.9
108.02029	8.9
109.02847	13.6
111.00747	9.0
111.04389	5.0
118.52132	5.3
121.02811	25.5
123.00758	13.7
124.01553	29.7
125.02310	15.4
129.01855	11.4
133.02847	22.5
135.04413	8.2
137.02295	12.3
138.25679	5.3
145.02805	5.7
147.04419	17.6
149.06007	21.7
149.99495	33.3
159.04518	8.1
163.03943	9.4
165.05481	19.2
166.05846	6.2
168.00577	87.6
173.05902	7.5
175.03969	8.0
177.01851	18.5
179.07248	5.1
187.03902	7.9
189.05544	8.1
199.07504	5.7
201.05464	8.3
211.03944	5.8
215.06937	5.7
219.02879	7.0
228.07916	7.8
237.03851	6.3
247.07747	7.8
248.05016	5.1
250.06314	6.1
250.09636	4.6
251.11032	5.8
255.06531	11.6
259.87692	5.6
264.04214	6.8
264.07950	8.4
265.05109	9.1
274.06195	5.7
275.07108	8.5
277.05023	11.1
277.08786	6.9
277.12271	6.8
278.05795	11.4
279.06671	5.0
279.10257	10.9
289.08588	7.8
291.06781	10.5
291.10150	7.6
292.03998	5.8
292.07449	6.2
293.08057	10.9
294.08743	6.0
299.06934	6.6
301.08487	9.0
305.08145	15.3
305.11780	15.8
307.09824	16.6
317.08148	10.2
318.08823	8.8
319.06152	8.2
319.09698	13.0
321.07733	11.8
332.10666	7.0
333.07727	7.5
333.11322	12.8
335.09113	9.5
339.08496	14.0
343.09607	6.2
349.10559	8.1
350.11542	14.0
361.16635	26.0
362.16974	60.3
363.17331	33.6
365.06613	9.1
373.14520	14.3
374.07074	6.1
391.15518	17.3
393.09787	5.4
394.10422	12.9
417.13580	28.5
420.08228	11.5
435.14590	53.6
443.11249	10.2
461.12387	71.2
462.12643	12.4
479.13297	19.9
487.10074	7.6
505.11423	74.1
506.11478	16.2
523.12488	80.9
524.12396	13.7
531.08801	9.9
549.09869	8.0
567.13367	100.0
568.13812	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	565.229
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
53.87807	0.4
55.01753	1.6
56.92442	0.4
57.03326	2.0
57.95225	0.4
58.00467	0.6
59.01250	27.9
61.98703	0.5
67.56685	0.4
69.03321	1.0
69.73576	0.8
69.73988	1.4
71.01253	18.8
72.90446	0.4
72.99187	2.1
73.02816	5.1
75.00740	0.6
81.03313	0.8
83.01257	4.0
84.02038	0.6
85.02824	12.1
87.00748	3.0
89.02309	3.9
89.90553	0.4
93.03367	1.1
95.01270	3.1
97.02840	1.1
99.00765	2.1
99.04441	0.6
99.13061	0.4
101.02322	7.3
107.04935	0.5
108.02048	1.1
109.02843	4.4
112.01573	0.8
113.02334	10.8
114.63524	0.3
119.03385	1.0
119.04920	0.8
121.02836	11.9
122.03633	10.4
123.00735	0.5
123.04443	3.0
124.01563	1.8
125.02316	1.8
129.01825	0.4
129.03363	0.8
129.85350	0.4
130.04140	0.4
134.03606	0.9
135.04422	2.8
136.05190	1.5
137.02333	2.7
137.05914	0.6
143.03380	1.0
145.02959	0.3
146.03593	0.5
147.04408	7.8
148.05202	0.6
149.05980	1.4
150.03038	0.5
151.03911	0.5
152.01091	0.5
153.01794	0.9
154.02582	1.5
159.04416	0.8
160.05211	1.0
161.02295	0.4
161.05992	4.1
162.06743	2.3
163.03896	1.1
164.04655	0.8
165.05484	20.9
166.05873	0.8
173.05997	1.2
174.06837	0.8
175.03943	0.7
175.07480	1.9
176.04611	0.6
176.08267	0.9
177.05458	0.5
178.06233	0.6
179.07040	4.4
190.06218	0.5
191.07031	2.4
192.07855	0.5
193.04997	1.3
193.08667	0.6
221.08263	0.4
223.09755	0.5
255.02965	1.2
267.07175	0.5
271.02390	1.1
272.03210	0.5
281.11743	0.6
285.11353	0.4
297.11386	0.7
298.12088	2.6
299.12732	0.7
300.02829	3.0
301.03391	1.0
311.13083	1.0
313.11142	0.7
313.14417	5.5
314.15036	0.6
315.12378	1.3
316.13272	0.6
327.12332	0.5
328.13080	3.3
329.13870	1.4
343.11453	0.6
343.15469	9.6
344.15787	1.2
346.14227	5.7
347.14792	1.7
361.16556	48.1
362.16855	5.6
391.76300	0.4
403.17850	0.5
445.18774	0.5
475.19821	1.5
490.18503	0.6
505.20786	100.0
506.21100	14.7
523.21808	36.1
524.22156	5.8
565.11969	4.3
565.22449	3.0
566.12366	1.1
566.22247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
60.46472	0.2
68.54264	0.3
68.77492	0.2
69.18728	1.8
69.19147	0.9
71.01291	0.3
82.01457	0.2
83.01278	0.3
87.00772	0.2
93.03330	1.8
96.10538	0.3
108.02074	0.8
109.02843	5.0
111.04458	0.4
119.04949	0.4
121.02845	16.7
122.03641	13.4
122.04552	0.3
123.04541	1.6
123.06495	0.2
124.01557	1.4
125.46454	0.3
125.71060	0.2
129.03404	0.7
134.03659	1.0
135.04410	2.5
136.05226	1.1
137.02330	2.4
137.05936	0.3
146.03638	0.7
147.04422	7.3
148.05164	1.0
149.05963	1.4
150.03188	0.4
151.00334	0.7
153.01849	0.4
154.02602	2.2
159.04373	0.3
160.05211	0.3
161.05974	2.3
162.06789	0.4
163.03998	0.6
164.04669	0.9
165.05479	27.8
166.05795	1.2
168.04134	0.4
173.05911	0.5
175.07616	0.7
178.06281	0.6
178.99863	0.4
179.07060	9.6
180.07452	0.3
191.07072	0.7
193.05000	0.4
193.08716	0.2
208.07428	0.5
209.08148	1.0
223.09831	1.2
243.02963	1.3
255.03017	2.7
271.02457	7.5
272.02997	0.8
281.19159	0.3
298.12146	0.4
299.01984	0.3
300.02744	12.7
301.03336	1.9
301.10745	0.4
313.14621	0.9
315.12320	3.2
316.13171	0.7
331.15396	0.4
343.15659	0.5
344.12341	0.3
345.13528	0.5
346.14209	9.8
347.14569	1.2
361.16556	100.0
362.16882	12.8
521.30719	0.3
565.11926	9.8
566.12305	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	565.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
58.00447	0.7
59.01252	26.8
61.98676	0.6
63.13085	0.4
65.03831	1.8
67.01756	0.5
69.03325	3.1
69.24247	4.6
71.01253	23.2
72.43313	0.5
72.99171	1.5
73.02816	4.0
75.00758	1.4
75.52809	0.5
81.03329	1.4
81.27483	0.4
83.01254	2.0
83.72772	0.5
85.02826	3.8
87.00753	2.4
89.02316	29.5
91.05401	3.7
91.33392	0.4
92.67714	0.5
93.03342	1.6
95.01254	1.8
96.02000	0.6
97.02829	3.4
99.00756	5.8
99.04388	0.9
101.02321	6.4
108.02056	7.9
109.02838	27.2
110.03166	0.8
111.00747	1.5
113.02313	3.6
115.03898	2.0
119.03354	1.4
121.01965	1.1
121.02845	23.1
122.03675	5.9
123.00764	0.6
123.04416	5.6
125.01435	1.0
125.02336	12.6
127.03891	0.7
128.00929	0.5
131.03404	4.5
133.02852	1.2
134.03661	5.1
135.04419	38.1
136.04761	1.4
137.02345	0.7
143.03380	1.0
147.04440	7.6
149.02426	0.6
149.04465	5.6
149.05980	9.6
150.03120	0.7
151.64763	0.4
152.01056	8.0
153.01840	2.1
160.01604	0.8
161.02238	0.6
161.04482	0.9
163.03943	0.6
173.04520	0.8
175.03922	1.5
179.03352	0.6
183.04359	0.6
186.06689	0.8
187.07690	0.7
191.05583	4.7
191.07149	0.8
192.05919	0.6
193.04997	1.4
194.35419	0.5
197.05998	1.4
199.03934	0.5
208.03712	0.7
211.07600	0.9
212.08293	1.8
214.06297	1.8
227.03394	0.8
229.08597	1.8
233.04405	0.9
233.06642	12.0
234.06885	0.7
235.05928	0.6
238.06364	1.3
241.05000	1.9
253.08745	1.9
256.07367	4.2
271.09750	100.0
272.10074	10.8
286.08392	0.7
293.08780	15.3
294.09158	0.6
301.10876	1.5
315.07159	1.9
347.17596	0.9
427.13687	0.8
461.65909	0.6
504.32367	1.0
505.33228	2.5
523.34631	1.1
565.19250	41.6
566.19562	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	565.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22982	0.9
56.90326	0.8
57.03338	1.6
59.01253	31.6
61.98682	1.3
65.03835	2.2
67.01755	0.9
69.03336	1.8
69.20586	6.2
69.20994	2.0
71.01257	20.5
72.99178	2.1
73.02821	5.6
75.00750	1.5
78.95760	1.2
81.03333	1.8
83.01259	3.4
83.08120	0.8
85.02819	5.6
87.00757	10.9
89.02322	23.4
91.05418	7.6
93.03354	2.9
95.01257	1.2
97.02832	3.6
98.19850	2.1
99.00747	4.2
101.02338	6.1
107.04898	0.9
108.02037	4.4
109.02842	43.5
110.03216	1.0
111.00771	1.8
113.02329	3.8
115.03925	1.2
119.04939	2.1
121.02855	14.9
122.03651	1.7
123.04403	7.2
125.02335	13.1
130.99791	1.5
131.03401	3.0
132.02095	4.5
133.02769	3.0
134.03650	13.9
135.04424	79.4
136.04799	4.4
137.02327	3.0
143.03448	1.6
146.03624	1.7
146.52902	0.9
147.04433	14.8
148.04979	1.4
149.02374	0.9
149.04463	3.1
149.05988	20.8
150.03148	1.3
150.06378	2.0
159.04443	1.8
160.00233	1.8
160.01563	24.8
160.05127	1.1
161.01901	5.6
161.04588	1.3
161.05974	1.9
162.02095	1.8
162.67635	0.9
163.03912	2.1
167.03421	1.7
172.05228	1.7
172.49652	1.1
173.05957	2.7
174.03111	1.4
175.03920	27.6
176.04286	7.0
177.04462	1.5
178.02528	1.4
181.05026	2.0
183.04478	1.2
186.06795	2.1
187.03940	1.4
187.07486	1.7
188.04726	2.5
189.05531	1.2
191.05559	2.1
193.05026	11.4
194.05289	1.1
197.06029	3.1
201.05501	1.9
201.09041	1.3
203.10687	1.3
205.04977	0.9
207.02873	1.0
211.07629	1.5
211.13341	2.7
212.08337	3.3
214.06232	2.1
229.08646	3.1
233.06618	9.1
238.06334	2.6
241.05040	1.7
253.08775	3.0
256.07492	2.9
271.09756	100.0
272.10059	11.6
293.08847	10.3
294.09024	1.1
297.14862	2.6
301.10822	1.4
313.18158	1.1
315.16183	1.6
323.16592	2.0
341.17508	3.0
361.09320	2.0
454.72000	1.3
477.21857	1.1
482.20728	1.5
498.71558	1.0
504.32550	1.2
505.33633	1.7
512.71289	1.2
521.72314	1.0
543.21533	1.6
543.72076	2.7
547.20782	1.2
556.20227	1.2
564.25244	2.3
565.19202	53.0
565.26318	22.0
565.70892	1.2
566.19177	9.7
566.26703	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	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
58.34320	0.4
59.01244	3.2
61.98732	0.6
69.54943	2.4
71.01250	3.3
72.99178	0.5
73.02840	1.3
83.01279	0.9
85.02845	1.1
87.00775	1.4
89.02355	1.4
91.50267	0.5
93.03352	0.5
96.66701	0.5
97.02862	1.5
98.20558	0.5
99.00751	2.3
101.02344	1.5
109.02850	1.0
113.02354	1.8
116.89787	0.5
117.03357	4.3
118.94447	0.4
119.04918	48.5
120.05278	2.3
121.02847	1.0
125.02339	3.0
135.04428	0.6
138.13020	0.5
145.02849	16.6
149.04411	0.6
150.03203	0.6
151.00279	0.6
159.04509	0.8
160.05275	0.7
161.04431	1.0
163.03920	100.0
164.04288	4.9
165.04051	0.7
165.05466	0.6
175.03932	1.4
175.07541	0.8
193.04990	1.1
243.02921	1.9
255.02974	4.4
255.21675	0.5
258.69699	0.5
271.02509	10.6
272.02945	1.2
300.02747	19.2
301.03238	2.5
329.13779	1.4
330.14136	1.8
331.14691	1.2
361.16568	2.4
361.20322	0.5
417.20853	1.5
419.11749	1.0
437.24762	0.5
498.64069	0.5
521.10779	0.7
565.11664	16.3
565.25000	0.8
566.12134	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	563.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
56.74964	0.4
57.03327	3.3
59.01256	8.6
61.38429	0.4
69.03325	0.5
71.01257	4.4
72.52241	0.4
73.02825	1.2
78.95766	1.1
83.01283	0.8
83.70649	0.4
85.02823	2.4
87.00747	2.8
89.02327	1.9
91.05427	0.8
93.03314	1.0
95.01246	0.4
96.95879	0.7
99.00707	0.7
99.04396	1.0
101.02346	2.6
105.03344	1.2
109.02848	1.3
113.02325	1.4
117.03338	0.8
118.39159	0.4
119.04892	0.8
121.02847	1.6
122.03574	0.5
123.04356	0.5
123.08108	0.7
124.21505	0.4
125.02370	0.6
128.01047	0.6
130.99719	0.5
132.02071	18.2
133.02876	5.0
134.03639	14.3
134.04649	0.8
135.04449	4.2
136.01585	0.7
137.02359	3.1
137.09575	0.5
139.03909	2.0
145.02844	0.6
145.73778	0.4
146.03625	0.6
147.04393	3.2
148.05179	0.8
149.05966	2.5
150.03191	1.2
151.03897	0.8
159.03023	0.5
159.04376	0.6
160.01573	84.2
161.01910	4.7
161.04440	0.8
163.00253	0.8
163.03917	0.6
163.11208	1.1
165.05515	2.3
173.04510	1.1
173.89561	0.4
174.80289	0.4
175.03929	84.4
176.04251	5.2
177.01866	1.1
178.02534	2.1
179.03430	1.5
185.06123	0.5
187.03976	0.7
188.04678	0.5
189.12761	1.7
190.99780	0.8
191.03391	0.6
191.05554	1.1
192.04204	0.9
193.04996	9.6
201.09195	0.5
203.07115	0.6
207.13884	0.9
211.07690	0.5
211.13405	1.3
218.99303	1.6
235.06158	0.6
253.08826	0.6
255.06578	1.1
287.09326	8.5
288.09601	1.1
297.15109	0.6
316.19757	0.5
327.15848	0.7
328.05902	0.7
337.09567	0.7
341.17758	0.6
345.17224	1.4
379.74619	0.5
383.11426	1.1
401.12067	0.6
419.13422	2.7
425.12244	0.7
503.32465	2.3
519.09967	0.5
521.33228	1.2
545.16473	1.9
545.23956	0.6
546.16595	0.5
548.22797	0.9
563.24988	100.0
564.25378	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1202
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
50.76510	0.2
53.83377	0.2
55.12695	0.2
59.01234	0.2
61.98705	0.4
62.97637	0.2
63.02260	0.3
65.00204	0.7
70.40684	0.8
71.01251	0.4
78.87031	0.3
83.01261	0.6
93.03328	0.3
93.98644	0.2
101.02307	0.3
107.01276	1.9
108.02055	2.0
109.02841	1.4
121.02852	3.4
122.03657	1.6
123.00759	0.2
123.04374	0.4
124.01560	0.4
125.02290	0.3
133.02872	0.3
134.03638	0.5
135.00829	0.5
137.02342	0.6
147.04364	1.2
148.01547	1.7
149.02278	0.2
149.06010	0.3
151.00285	5.9
151.03931	0.4
152.01033	0.4
154.02632	0.3
159.04440	0.3
163.00336	1.4
163.03958	0.3
164.01074	0.6
165.05507	3.6
169.01331	0.3
175.03943	0.6
178.99805	2.9
179.07016	1.0
180.94820	0.2
183.04442	0.4
187.04007	0.3
192.00572	0.5
193.05043	0.5
198.03250	0.3
199.03951	1.0
203.03503	0.3
211.03935	0.5
215.03415	0.5
216.04295	0.6
226.02701	1.8
227.03471	3.0
228.03914	0.4
229.01361	0.3
235.06006	0.4
243.02980	11.8
244.03357	1.0
245.04454	0.4
254.02168	2.4
255.02979	26.5
256.03329	2.4
271.02487	61.2
272.02924	6.2
273.03876	0.9
283.02332	0.3
299.02069	1.4
300.02750	100.0
301.03287	15.1
302.03763	0.7
315.12424	0.3
343.15445	0.2
346.14273	1.3
361.16571	13.3
362.16913	1.5
415.06363	0.5
433.07751	0.5
475.08774	0.3
498.87433	0.3
565.11981	79.7
566.12341	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	563.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86306	0.7
57.03311	2.0
59.01251	16.3
61.98699	0.7
71.01256	8.4
72.99170	1.4
73.02819	1.6
78.95805	0.9
81.92570	0.7
83.01280	1.5
85.02841	3.4
85.91692	0.8
87.00755	4.9
89.02316	4.7
93.03320	2.2
97.02828	1.0
99.00770	1.4
101.02311	4.8
105.03365	1.3
109.02850	2.6
113.02348	3.8
117.03352	1.2
119.03397	1.1
121.02846	2.9
124.93168	0.8
125.36511	0.7
132.02066	19.9
133.02861	6.9
134.03632	28.7
135.04504	3.7
137.02330	4.0
139.03909	1.5
146.03630	1.5
147.04408	6.9
148.05147	2.3
149.05946	5.1
150.03148	0.9
151.00273	1.0
159.04404	0.8
160.01575	90.2
161.01904	5.6
163.03850	1.0
172.05232	0.9
173.04488	5.3
173.05927	1.5
174.03177	0.8
175.03925	90.6
176.04263	5.4
177.01863	2.9
177.05321	1.0
178.02614	3.6
179.03374	1.7
185.06044	0.8
187.03928	1.0
189.05482	0.8
191.03540	1.1
191.05508	3.1
191.07068	1.8
192.04120	1.4
193.01282	1.1
193.04996	33.9
194.05310	1.8
201.05508	1.1
211.13371	3.1
216.07782	0.8
235.06070	4.5
257.15448	0.9
271.09711	3.2
275.50778	0.8
295.08456	1.4
299.16620	1.0
309.15033	1.5
313.18066	1.0
327.16055	1.9
328.06015	2.0
328.23975	0.7
339.15976	0.9
345.16925	3.9
346.11652	0.8
356.17261	0.7
356.49854	0.7
359.28015	1.0
371.15018	1.3
405.17319	0.7
425.12518	3.4
443.12903	1.0
458.21613	1.0
498.21744	1.7
503.32309	2.6
504.32626	0.8
511.20813	1.2
520.21375	2.1
521.33514	1.1
545.16504	3.4
563.24994	100.0
564.25409	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20564	0.5
55.01748	0.6
57.03325	1.0
58.57221	0.4
59.01254	20.5
60.01587	0.5
61.98693	0.8
69.03339	0.5
71.01254	11.1
72.99159	1.2
73.02812	1.6
73.49814	0.5
83.01255	1.5
85.02829	5.3
87.00744	1.8
89.02314	5.8
93.03338	2.7
95.01263	1.0
95.87952	0.5
96.95879	1.0
97.06451	0.9
99.00754	1.0
101.02328	5.6
105.03335	0.7
108.02052	1.1
109.02864	1.3
111.00784	0.8
111.04423	0.7
113.02350	4.6
115.91940	0.5
116.92768	0.6
117.03362	1.8
119.03392	1.7
119.04925	1.5
121.02850	0.7
123.04436	0.8
125.02396	0.8
132.02072	22.4
133.02864	7.0
134.03641	32.1
135.04343	2.2
135.05309	0.5
136.01558	1.0
137.02351	4.7
139.03893	0.6
143.03339	0.5
147.04468	2.9
148.01556	0.6
148.05199	1.9
149.05998	8.3
150.03127	0.9
151.03952	0.9
152.01106	1.0
153.01576	0.6
155.03322	0.5
158.03674	0.6
159.04408	1.0
160.01578	99.6
161.01910	5.4
161.04495	0.8
162.03050	0.5
163.00288	1.2
163.03946	1.2
165.01930	0.6
171.10201	2.4
172.05219	1.7
173.04478	2.4
173.06004	3.2
174.03067	0.6
175.03932	100.0
176.04591	12.2
177.01840	2.9
177.05292	1.5
178.02652	4.2
179.03435	1.2
185.11795	0.5
187.03983	1.2
191.05533	8.7
191.07106	16.0
192.04196	1.1
192.07556	0.6
193.05002	41.3
194.05373	2.5
197.06018	0.5
199.03888	0.7
201.05461	0.9
202.02679	1.0
202.06297	1.0
207.06543	4.5
211.13353	2.6
217.05043	1.5
220.03714	2.1
221.04561	0.6
221.11743	0.6
227.03519	1.2
228.04155	0.5
229.14453	1.5
229.18141	0.6
229.41574	0.7
235.06091	54.5
236.06468	4.2
251.07101	4.0
253.09283	4.6
265.07166	14.1
266.07556	1.3
279.06604	1.8
283.13419	10.2
284.13611	0.8
295.08255	17.9
295.11572	1.0
296.08560	1.2
301.14389	2.8
309.14996	2.1
327.15952	1.5
327.21799	13.2
328.05817	1.2
328.22247	1.4
337.09439	1.0
345.17032	7.5
353.13959	0.5
355.10251	3.2
371.15173	5.2
372.15335	0.6
387.16522	3.1
425.12445	1.1
443.13080	0.9
495.51752	0.6
503.32156	2.6
519.09479	1.8
521.33002	1.1
545.07715	0.9
545.16595	1.9
545.23981	1.0
546.16937	0.7
546.24493	0.7
563.25085	69.7
564.25500	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.2
57.03308	1.9
58.00463	2.5
59.01249	100.0
60.28411	0.8
61.98708	1.9
69.03326	1.4
71.01254	52.0
72.99177	3.2
73.02818	55.7
75.00762	1.4
83.01256	15.7
84.01588	1.0
85.02814	10.5
87.00766	3.9
89.02319	17.2
93.03324	3.1
95.01257	4.1
98.19685	2.0
99.00745	2.5
99.04341	0.9
101.02320	51.9
102.02670	1.4
108.02058	3.5
109.02843	3.0
113.02326	28.8
114.02677	1.8
119.03379	8.5
121.02802	5.2
122.03622	1.5
123.00803	1.1
123.04414	3.2
124.01588	1.7
125.02328	2.5
131.03397	3.8
137.02319	2.9
143.03377	6.1
149.04427	5.7
149.06012	1.6
151.00345	1.1
151.03938	1.2
152.01060	1.3
155.03432	1.9
155.08557	0.8
158.00235	0.9
158.03539	0.9
159.04376	5.0
160.05190	9.6
161.02408	1.1
161.04462	13.5
161.05936	3.7
163.03972	1.2
164.04663	1.0
171.04424	1.1
172.05219	5.1
173.04544	1.9
173.06010	3.6
175.07533	4.6
177.01836	1.0
178.06107	1.1
179.05467	3.4
187.03937	1.2
187.07574	3.0
189.05516	10.0
190.06268	10.6
191.03351	1.1
191.05492	2.4
193.04988	1.1
205.08698	8.9
221.06551	2.2
231.10210	1.0
266.55966	0.9
281.08188	2.2
296.10516	5.5
301.03491	1.1
311.12839	5.4
329.03058	3.8
329.13965	3.8
341.13919	57.5
342.14301	8.2
344.05374	1.8
359.07684	10.7
359.14990	1.2
360.07904	2.2
443.13019	1.5
503.19287	17.4
504.19574	2.9
521.20337	4.9
563.17242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
58.97673	0.3
59.01252	3.6
68.99634	0.3
69.44701	0.6
69.45118	1.7
70.79440	0.3
71.01260	2.0
73.02809	0.8
75.00729	0.4
83.01263	0.4
85.02822	1.3
87.00751	1.2
89.02311	0.6
93.03333	1.3
94.02860	1.2
95.01254	0.3
98.19875	0.6
99.00764	0.9
101.02333	0.9
109.02837	0.7
111.00703	0.4
113.02322	0.9
116.81912	0.3
117.26119	0.3
119.03340	0.3
119.04916	0.9
121.02841	5.0
122.03652	1.6
123.00733	1.4
123.04407	0.9
124.01514	0.4
125.02319	0.8
129.01808	0.3
131.04922	0.4
134.03603	0.8
135.04439	0.5
136.01563	0.5
136.05173	1.2
137.02303	1.4
138.01860	1.0
138.03133	0.5
143.04878	0.6
145.02846	0.8
146.03610	0.3
147.04436	2.5
149.02332	2.5
149.05963	0.6
150.03140	7.6
151.03819	0.9
153.05496	1.0
158.03619	3.4
159.04420	9.7
159.05743	0.5
160.05206	30.3
161.02315	0.7
161.05997	8.4
162.06287	0.7
163.03918	7.9
164.04726	6.5
167.03427	0.4
172.05228	0.6
173.04564	0.6
173.05988	4.3
174.06650	0.5
175.04184	0.7
175.07556	28.5
176.04684	0.9
176.07918	2.0
176.97836	0.3
177.05495	7.9
178.06265	9.2
179.03317	0.3
179.06708	0.4
183.04424	0.4
185.05933	0.6
187.03947	0.4
188.82750	0.3
191.03459	0.6
191.05518	0.7
191.07092	0.6
192.06189	0.3
192.07782	1.6
193.01395	0.5
193.04959	0.7
193.08647	3.0
205.01344	0.4
223.13353	0.4
267.02936	0.4
267.07166	0.7
271.02719	0.3
284.10535	0.4
285.04086	0.3
299.12881	0.5
300.13641	0.9
301.14325	0.5
314.11612	0.8
329.13928	100.0
330.14261	10.9
339.08859	0.4
341.17630	1.3
359.07913	0.5
359.15219	1.7
367.16113	0.3
371.11322	0.8
383.11514	1.0
385.16769	0.4
401.12268	0.8
425.12198	1.2
429.15552	0.4
443.13306	0.5
461.18121	2.2
501.07996	0.4
519.09460	0.5
563.07843	0.4
563.16174	0.8
563.24219	0.7
564.24469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91598	0.5
55.01762	0.9
57.03323	2.1
58.00470	0.6
59.01253	38.2
61.98708	1.0
67.01756	1.1
69.03321	0.8
71.01260	14.9
71.53028	0.6
72.99176	1.4
73.02815	4.6
74.94932	0.5
75.00742	1.3
83.01267	2.7
85.02831	10.3
87.00752	3.5
89.02322	6.1
89.03822	1.2
93.03339	44.8
94.03684	0.9
95.01260	2.1
96.95909	1.3
97.02818	1.3
97.06466	0.7
99.00771	3.6
101.02322	10.6
104.49734	0.5
108.02072	0.8
109.02856	1.2
111.00766	1.2
111.04422	0.6
113.02334	10.1
117.03368	3.4
119.03395	1.6
119.04867	0.6
121.02842	5.9
123.00780	0.7
125.02344	1.7
129.01837	0.6
132.02087	3.4
133.02858	1.8
134.03639	55.3
135.04086	1.8
137.02348	100.0
138.02692	3.4
139.03839	0.7
143.03439	1.6
143.40395	0.6
147.04440	3.8
149.02464	0.9
149.05989	6.2
150.03271	1.1
151.03906	0.6
153.01768	0.6
155.03464	0.6
159.02946	0.6
159.04419	0.9
160.01573	17.3
161.02113	1.1
161.04465	3.3
163.00241	0.9
165.01912	0.9
171.04333	0.6
171.10194	1.3
172.05249	1.3
173.04480	3.7
173.05920	1.1
175.03935	20.7
176.04375	1.2
177.01828	1.8
178.02580	2.2
179.05516	0.7
181.15849	0.7
185.05995	0.9
186.06706	0.6
187.03857	1.0
190.99768	0.6
191.05554	5.2
193.04997	62.8
194.05359	2.8
199.04001	0.7
201.05408	0.6
202.06322	0.7
205.01378	1.4
206.01886	0.5
211.13376	1.5
221.00964	1.1
227.03363	0.6
229.14490	0.9
229.18092	2.2
241.05055	0.5
243.19669	0.8
253.09297	2.5
257.15314	0.6
267.06665	0.9
273.08746	0.6
283.02460	0.7
283.13431	8.4
284.03394	0.7
284.13565	1.2
300.06342	0.6
301.14441	3.2
309.14920	3.5
323.16266	0.5
327.16006	1.7
327.21674	6.4
328.05881	1.6
345.13153	0.9
345.17081	7.7
346.17426	0.6
353.14059	1.4
358.06857	0.6
359.28098	2.5
369.11945	1.2
371.15054	6.7
372.15543	0.9
383.27972	1.1
387.12729	1.0
405.13968	0.7
405.24811	0.6
425.12512	2.1
443.13159	1.7
455.13589	1.1
503.32196	12.4
504.32437	0.7
509.19449	0.6
519.09717	1.1
521.33350	7.2
545.08105	1.1
545.16833	3.6
550.81293	0.6
563.08386	2.5
563.17487	3.9
563.25439	8.4
564.25275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.0
57.88337	0.4
59.01249	1.4
60.99169	0.7
67.01753	1.8
69.03320	0.7
71.01247	2.3
71.29269	0.7
73.02778	0.6
75.47196	0.4
79.91988	0.5
81.03323	0.9
83.04898	1.5
83.55860	0.4
85.02837	0.8
87.00745	1.9
89.02338	0.7
93.03335	17.3
98.92554	0.4
99.00780	0.6
99.04387	0.6
101.02312	0.8
111.04400	5.5
113.02306	0.9
117.03310	0.7
119.04961	0.5
121.02824	3.2
122.03641	5.1
123.04407	0.6
129.01851	0.7
133.02832	1.7
134.03627	37.0
135.04050	1.4
137.02332	5.6
139.03935	2.4
149.01215	0.9
149.02347	9.3
149.04842	0.9
149.05984	11.7
150.03127	38.9
151.03650	1.9
152.97885	0.4
155.03409	6.7
164.04712	1.8
165.05481	46.5
166.05812	1.6
169.26877	0.4
173.04468	33.2
174.04794	2.2
178.02637	23.4
179.03047	0.6
180.04216	3.3
181.04927	1.4
191.05536	2.9
193.04990	100.0
194.05313	6.2
195.06554	35.9
196.06879	2.0
250.06422	0.5
258.95572	0.5
267.06924	0.5
282.08951	1.3
341.10263	4.7
342.10635	0.5
364.29626	0.5
389.12430	10.4
390.12726	0.9
501.84268	0.5
523.49249	0.5
563.17761	11.0
564.17914	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	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12362	0.2
57.03319	1.4
59.01249	2.5
60.57120	0.3
60.99184	1.8
61.98689	0.6
65.03852	0.2
67.01760	9.1
68.02090	0.3
69.03326	2.0
69.81580	0.3
70.03643	0.3
71.01259	4.9
72.99165	0.3
81.03330	1.8
83.04898	1.1
85.02819	1.6
85.03275	0.2
87.00749	5.5
87.52924	0.2
88.03482	0.3
93.03335	56.1
94.03664	2.1
99.00761	0.6
99.04404	0.4
101.02349	0.3
109.02837	1.5
111.00763	1.2
111.03625	0.4
111.04401	7.8
113.02328	1.0
115.00253	0.3
115.03867	0.4
121.02847	1.9
122.03611	1.3
123.04421	0.3
127.03881	0.5
129.01802	0.7
133.02850	0.4
134.03627	5.9
135.04309	0.4
135.68959	0.2
136.01512	0.3
137.02341	5.3
143.03452	0.2
149.02339	3.4
149.05980	1.1
150.03134	8.7
151.03648	0.5
153.81171	0.2
155.03397	4.2
159.04553	0.3
164.04663	0.8
165.05475	6.6
166.05855	0.3
173.04468	100.0
174.04819	3.8
175.02431	1.0
175.03883	0.3
178.02635	2.7
180.04236	0.6
181.04982	0.8
191.05553	5.4
191.07118	0.6
193.04993	7.7
194.05376	0.5
195.06551	3.2
204.20258	0.3
259.24054	0.3
267.06717	0.4
279.06805	0.3
280.69315	0.3
282.08920	0.9
297.11371	0.5
327.12354	0.7
341.10239	3.2
342.10693	0.3
359.14990	0.5
381.11917	0.4
389.12463	1.3
537.40613	0.3
563.17743	12.9
564.18097	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
59.01246	5.6
59.57894	0.6
60.99177	5.3
61.98702	15.1
67.01761	14.0
69.03316	4.6
70.39198	1.1
70.39525	0.8
71.01253	8.8
72.32578	0.5
72.99160	0.9
73.02815	1.3
75.00774	0.7
80.96515	0.5
81.03326	3.2
83.01268	0.8
83.04893	1.8
85.02811	3.9
87.00752	20.7
89.02303	1.7
93.03333	100.0
94.03667	3.2
97.02824	0.9
99.00766	3.6
99.04409	1.2
101.02325	1.5
108.02047	0.7
109.02865	1.3
111.00764	1.7
111.04398	11.1
112.08553	0.5
113.02304	1.8
115.00246	0.6
115.03889	1.1
119.04905	0.7
121.02837	1.8
122.03639	1.1
123.00755	1.5
123.04414	3.2
125.02332	1.0
127.03898	0.6
129.01811	2.7
133.02823	1.7
133.22920	0.5
134.03627	15.1
135.04366	2.5
137.02354	2.6
145.02805	1.4
147.04419	1.1
149.02364	4.5
149.04764	0.9
149.05980	6.4
150.03125	10.7
151.00255	0.7
151.03922	8.0
152.01073	0.9
155.03426	4.1
160.01556	1.2
161.02319	0.8
161.06044	0.7
163.03925	0.9
164.04707	1.3
165.04053	0.7
165.05473	9.4
166.05804	0.7
167.03427	1.2
173.04471	51.0
174.04863	1.4
175.03952	1.8
175.07620	0.9
177.01823	0.6
178.02617	5.4
180.04213	0.6
181.05042	3.9
181.86530	0.5
191.03671	0.8
191.05522	9.9
193.04991	14.4
194.05623	1.9
195.02904	0.6
195.06506	1.5
211.03937	3.6
212.04523	0.7
213.05560	1.4
217.79733	0.6
219.02954	0.6
239.03488	2.5
240.04250	1.4
255.02934	0.7
268.03876	1.2
269.04538	5.1
282.08881	1.2
300.02789	0.7
329.13983	2.5
337.09302	0.8
341.10455	1.6
366.09546	2.9
367.10251	1.0
375.10904	1.1
381.12045	1.3
389.12363	2.8
415.19775	1.2
425.12585	0.8
439.12366	0.7
443.13110	2.0
449.65060	0.6
515.15399	2.7
545.16791	6.9
546.16858	1.4
563.17828	65.8
564.18298	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	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
67.01758	1.1
71.01260	1.6
74.17986	0.5
81.03345	0.9
83.04916	2.5
85.02824	0.8
87.00761	2.0
89.02316	0.6
93.03336	15.3
97.02796	0.5
105.03391	0.6
105.61095	0.5
111.04408	8.0
111.82365	0.5
112.04790	0.6
117.03344	0.9
119.04877	0.6
121.02849	12.9
122.03626	4.0
125.02329	0.5
127.03899	0.7
129.01828	1.6
133.02835	1.6
134.03638	43.5
135.04120	1.8
137.02351	6.5
139.03899	1.5
147.04466	0.5
149.02348	15.7
149.05997	15.3
150.03134	39.8
151.03572	1.7
155.03410	9.0
163.03905	0.8
164.04750	4.2
165.05489	56.8
166.05832	2.2
173.04477	38.4
174.04811	1.5
178.02635	26.3
179.03073	1.1
180.04184	4.2
181.04832	0.6
191.05566	1.3
193.05003	100.0
194.05353	5.8
195.06578	38.1
196.06915	1.6
205.06517	0.9
221.06129	1.0
222.06850	0.8
233.06052	1.5
234.06874	1.2
235.07570	0.8
238.06352	0.8
239.07042	2.5
250.06401	3.9
251.06964	1.0
253.08662	1.2
254.09406	1.5
255.30585	0.5
265.08643	1.2
267.06662	2.6
278.10654	0.5
282.08981	13.3
283.09158	1.1
297.11292	1.4
298.11938	0.5
319.47113	0.5
326.08026	1.4
341.10294	50.8
342.10641	6.1
389.12405	20.8
390.12796	2.8
456.41858	0.5
529.39050	0.6
563.17755	15.3
563.26221	1.1
564.17761	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	563.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	37.4
60.99183	12.9
69.87986	8.6
71.01276	9.9
72.99181	70.0
75.00742	14.5
75.49623	1.5
76.98713	1.9
85.02811	1.7
87.00767	4.6
89.02316	48.5
90.22808	1.6
98.19885	2.6
99.00748	2.8
101.02290	2.0
105.01844	2.6
115.00260	19.2
117.01824	24.1
126.24750	1.8
127.00243	1.7
133.01321	100.0
134.03667	2.6
135.02858	2.7
137.05959	2.2
145.01335	34.7
161.00806	3.6
163.03853	2.1
173.00742	2.3
177.32407	1.5
193.05046	4.1
195.06544	1.8
221.02982	28.2
337.09427	1.8
381.89597	1.7
507.74622	2.0
563.16022	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80582	0.5
57.03326	0.8
59.00952	0.7
59.01249	13.8
65.00182	0.4
69.31464	4.0
71.01250	5.4
72.99171	0.4
73.02817	2.8
74.25885	0.4
75.00713	0.6
83.01257	1.2
83.04920	0.7
85.02823	1.5
85.51103	0.4
87.00739	2.0
89.02318	2.6
93.03341	1.4
95.01258	1.0
99.00742	0.7
101.02325	3.6
105.81586	0.5
108.02059	0.9
109.02835	0.7
109.99974	0.9
111.00772	1.2
111.17198	0.4
113.02332	2.4
119.03421	0.5
119.04925	0.5
121.02840	0.6
123.00744	1.7
123.04382	0.5
124.01575	2.9
125.02302	1.2
134.03557	0.5
136.01508	0.6
136.98648	0.9
137.02318	0.9
139.00246	1.0
147.04430	0.6
148.01558	0.7
149.02289	0.6
151.00270	3.6
151.03932	0.8
151.05994	0.8
159.04431	0.6
160.01601	1.1
160.05135	0.5
161.02362	0.6
161.04543	0.8
161.09633	0.7
163.00238	0.5
163.03905	0.8
164.98280	0.6
165.12805	0.6
165.98956	1.0
173.04440	1.3
177.01859	1.3
179.07130	0.5
183.71474	0.5
185.05951	0.5
187.03920	0.6
187.11259	1.1
189.05481	0.5
189.09059	0.8
191.05530	1.1
193.05135	0.7
198.03111	0.6
199.04001	0.5
202.02696	0.5
205.01395	0.6
207.10335	0.5
209.11798	0.5
211.03998	2.9
213.05553	0.7
214.02696	1.9
216.00600	0.7
223.13368	2.9
224.01172	0.8
226.02646	0.6
229.04974	0.9
230.02234	0.8
239.03452	2.5
241.04953	1.3
241.99962	0.6
242.02129	3.8
243.02992	1.0
252.00543	0.6
255.02956	1.1
257.04593	2.1
258.01709	2.0
259.02524	0.7
267.12350	0.7
268.03741	1.2
269.01041	0.8
269.04532	4.6
269.13889	1.4
270.01709	1.6
271.02371	1.3
272.06894	0.6
273.03735	0.8
283.02402	1.2
284.03217	0.9
285.03995	3.5
286.01196	4.8
287.01846	0.6
297.00293	2.5
298.01007	1.1
299.01910	1.8
299.05408	0.5
300.02686	1.4
300.06375	0.9
301.03500	10.9
302.03949	0.8
303.08649	0.7
311.02060	1.6
312.02655	0.6
313.03500	1.9
313.11417	1.0
314.00565	2.0
314.04175	1.3
315.04980	1.6
315.08640	0.8
316.05612	0.8
328.02078	0.7
328.05673	1.2
329.03006	35.0
329.06384	1.6
330.03375	3.3
331.08322	1.1
341.06653	1.5
341.14053	1.5
343.04483	2.1
343.08154	0.6
344.05325	13.1
345.05545	1.6
358.06555	1.9
359.07706	100.0
360.08029	10.3
373.09119	1.0
386.53668	0.4
389.21890	0.5
401.08759	0.6
443.13098	0.8
501.13022	0.5
511.74432	0.5
536.15167	0.8
563.14178	4.6
563.23645	9.4
564.14496	1.3
564.23376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.7
57.03318	1.3
59.01250	12.5
60.01584	0.6
61.98696	1.3
65.00192	1.1
67.01769	0.6
68.99670	0.6
71.01260	5.3
71.53017	0.7
72.99168	1.0
73.02818	1.4
75.00726	1.7
81.03307	0.6
83.01261	1.0
85.02823	4.0
87.00766	3.1
87.04382	0.9
89.02313	3.3
91.01763	0.9
93.03332	2.4
95.01270	1.1
95.44215	0.5
97.02827	0.7
99.00771	3.3
101.02324	2.1
104.15554	0.5
105.07902	0.5
107.01276	1.6
108.02046	1.5
108.07661	0.6
109.02813	1.7
111.00765	0.6
111.04409	0.6
113.02311	3.5
117.03333	1.0
119.04896	2.5
121.02820	1.3
122.02367	0.6
122.04841	0.5
123.04409	3.4
125.02304	1.5
130.29498	0.5
132.02055	1.7
133.02773	0.8
134.03630	1.1
135.00766	0.9
135.04391	1.8
137.02394	1.1
145.02834	3.2
147.04468	0.9
149.02333	1.0
149.05951	1.3
151.00261	3.3
152.01038	1.1
153.01820	2.0
153.09097	0.5
159.04382	0.8
160.01529	0.8
160.05186	0.6
161.02339	0.7
161.04466	0.7
163.00261	2.1
163.03882	3.8
165.05475	0.6
167.03424	6.2
173.04541	2.9
173.05814	0.6
175.03920	1.5
177.01831	1.8
178.99762	1.4
183.04472	1.5
185.05913	1.2
187.03947	1.5
191.05513	2.4
193.04886	2.9
197.05916	0.7
199.04018	0.7
205.01318	2.0
207.13864	1.0
209.11775	0.9
211.03946	1.9
213.05452	1.0
227.03455	38.8
228.03899	3.0
229.05038	4.1
229.17978	0.8
235.05977	1.4
239.03467	0.9
240.04158	1.0
249.06091	2.4
255.02977	68.9
256.03510	10.7
257.04468	2.9
267.07114	1.2
269.13934	2.8
269.17419	0.9
283.02463	1.2
284.03265	100.0
285.03937	35.4
286.01324	0.8
286.04385	2.0
299.05643	1.1
300.02728	0.7
301.03616	1.3
326.00696	0.7
327.05087	0.9
327.15930	0.7
329.03076	5.7
330.03552	0.6
344.05310	2.7
345.17065	0.7
358.06693	1.2
359.07761	11.8
360.08182	1.0
401.18182	1.0
413.09641	0.7
417.10385	9.6
418.10837	0.9
425.12466	2.1
431.09787	1.3
443.12906	1.7
443.19049	1.3
455.13327	0.7
473.20099	1.0
503.21155	2.6
503.32343	2.3
519.09204	0.6
521.33289	1.2
545.16931	1.4
562.05383	0.7
563.14075	80.3
564.14398	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.3
59.01253	70.4
63.59578	1.3
64.76446	1.3
67.01756	1.4
68.99689	2.8
69.03337	1.6
69.36953	1.4
69.37291	12.9
71.01251	37.4
71.01619	2.9
72.99174	9.0
73.02816	4.1
75.00745	19.1
78.99902	1.3
83.01268	5.7
85.02345	2.7
85.02823	30.4
87.00757	13.6
87.04410	2.0
89.02325	9.8
91.09328	1.6
92.82388	1.5
93.03341	42.7
93.06956	1.6
95.01262	9.8
97.02859	1.7
98.20556	2.7
99.00754	17.3
101.02333	10.0
103.00278	4.4
104.31102	1.5
108.02059	1.7
111.00810	1.7
113.02338	36.8
115.00272	3.8
117.01805	3.6
117.03357	4.2
119.04882	1.5
123.04447	1.8
128.04117	1.7
129.01846	3.2
131.03439	1.4
132.02040	4.1
133.02840	6.3
134.03639	27.7
135.04388	2.3
136.01535	4.6
137.02345	84.6
138.02686	3.2
139.00247	2.2
143.03433	1.8
148.05194	1.6
149.05946	5.9
160.01581	21.3
161.02332	5.8
161.04460	4.7
163.03860	1.8
165.05518	1.8
167.03323	2.6
173.04515	2.5
175.02478	3.2
175.03909	22.8
177.01897	4.1
177.05544	1.7
178.02750	1.8
179.03316	1.8
190.66415	1.4
191.05524	4.1
193.03471	2.0
193.05032	23.3
211.06097	6.8
229.18042	2.6
231.05144	2.5
235.06018	2.7
249.06133	28.8
257.04526	1.7
267.07175	41.9
268.07571	2.4
270.01727	1.7
284.03366	2.1
286.01254	1.8
291.08264	1.6
301.03461	4.1
314.00906	1.7
315.05078	2.1
325.09338	10.2
329.03009	26.0
330.03436	2.0
343.04523	3.2
344.05383	12.5
345.16974	1.8
358.13321	1.5
359.07724	55.7
359.28177	2.9
360.08090	7.8
363.11084	2.3
366.09531	2.6
369.08218	6.1
373.22458	2.3
381.12000	4.8
384.69299	1.6
387.09338	100.0
388.09470	9.2
391.23337	2.2
425.10962	8.7
443.06293	2.5
443.12012	32.3
444.12482	4.1
473.13196	1.8
503.32275	20.2
504.32059	1.8
521.33344	8.8
563.14014	46.4
563.22491	3.6
564.14178	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	561.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67497	1.6
55.01758	2.0
57.03308	4.9
58.00460	2.2
59.01252	100.0
65.00196	2.4
68.99686	1.5
69.03326	4.3
69.31717	10.7
69.32127	4.0
71.01258	21.9
71.04881	2.7
72.99162	2.3
73.02819	9.1
75.00758	2.7
78.24462	1.5
81.03342	1.8
83.01260	4.2
85.02814	6.4
87.00755	13.9
89.02327	22.8
93.03338	4.9
95.01277	3.4
97.02833	3.2
97.06466	6.4
98.20509	3.2
99.00756	15.0
101.02332	10.4
107.01252	2.7
107.04916	9.7
108.02071	2.0
109.02845	3.5
113.02341	14.3
113.10132	1.5
119.04864	2.4
120.05666	2.0
121.02834	6.8
123.00728	1.9
123.04438	2.4
125.02340	16.1
131.03346	3.6
132.02046	7.5
134.03595	2.4
135.04399	6.3
136.01553	5.4
137.02330	4.8
138.03024	1.9
145.02882	3.9
147.04399	3.0
148.01616	2.0
149.02338	5.3
149.04440	7.8
149.05948	2.2
151.00258	3.3
151.03889	4.7
152.01106	2.5
153.01793	4.4
160.01605	2.5
161.02333	1.7
161.04433	3.4
161.09645	15.0
161.13255	8.9
163.00211	3.8
163.03928	3.3
163.11194	4.1
165.01859	7.3
166.02560	5.8
167.03352	2.8
173.04454	6.8
175.03905	2.0
176.01135	8.8
177.01836	8.5
178.99774	3.4
183.04350	1.7
185.00874	2.9
187.03851	1.7
187.11226	22.2
189.09195	9.4
191.03346	1.8
191.05542	6.5
193.01372	2.8
193.04951	5.5
194.02130	5.0
203.10725	2.5
204.00560	22.0
205.01353	13.2
205.12279	15.7
207.10222	4.6
219.02913	3.6
221.00841	7.4
221.02788	2.0
223.13354	43.0
224.13812	2.9
227.03445	3.0
229.12325	2.4
239.03554	2.0
241.04675	1.9
249.11337	13.0
255.03061	5.4
267.12363	24.7
281.00861	1.9
283.02448	7.9
284.03137	5.0
285.03494	2.0
299.01788	2.2
326.00610	2.9
339.14420	17.0
343.07889	2.5
357.13333	3.1
381.09726	5.8
399.16592	24.2
400.16913	3.7
401.02817	2.0
441.11826	38.6
441.17703	21.5
442.12253	6.0
442.17853	3.5
471.12775	10.5
471.18680	18.6
472.12906	3.9
472.19083	3.3
473.08664	3.6
499.03027	2.4
501.19815	42.5
501.30594	2.9
502.09192	2.4
502.20245	4.6
518.08539	2.6
529.07855	3.2
531.05396	2.1
543.14172	3.7
543.21497	3.8
546.08008	22.6
547.08716	16.0
561.08917	32.0
561.23346	25.7
562.10333	5.7
562.22412	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01255	6.0
62.08257	0.4
68.99693	0.4
69.03333	0.4
71.01252	6.2
72.99178	1.7
73.02840	1.1
75.00750	3.4
81.89039	0.4
83.01248	0.8
85.02822	6.3
87.00750	3.1
89.02319	1.2
89.03843	0.5
93.03333	45.1
94.03671	1.6
95.01277	1.8
97.02831	0.6
97.69386	0.4
99.00755	3.8
101.02316	0.9
103.00216	1.0
109.02856	0.5
113.02325	7.0
117.01809	0.7
117.03340	1.0
121.02854	0.8
129.01848	0.4
132.02083	1.3
133.02859	2.8
134.03633	14.0
135.04343	1.3
137.02341	100.0
138.02669	4.2
147.04398	2.2
148.05266	0.6
149.05983	1.6
160.01593	5.3
161.02393	0.8
173.04469	1.3
175.02367	1.7
175.03938	6.0
176.04465	0.6
177.01869	1.5
178.02641	1.4
191.03485	0.7
191.05377	0.7
192.04239	0.8
193.03450	2.9
193.05013	8.9
211.13304	0.7
231.05040	0.9
249.06131	17.1
250.06615	0.5
252.06618	0.4
267.07214	1.5
271.09705	0.5
276.06500	0.5
291.08734	0.4
327.15997	0.4
328.05734	0.5
345.17160	0.9
363.10947	0.8
366.09702	0.6
369.07971	0.9
371.15021	0.7
381.11935	1.3
387.09314	20.8
388.09744	2.0
416.89880	0.4
425.10934	10.2
426.11676	1.0
443.11850	2.7
503.32147	0.6
519.09570	0.5
545.07251	0.4
545.16144	0.7
563.14038	15.7
563.24133	2.5
564.14178	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.1
61.98709	0.6
69.89141	1.7
71.01250	0.6
85.02817	0.7
87.00748	3.4
87.95729	0.4
93.03356	0.4
95.01241	0.4
97.06473	1.0
101.02347	0.6
108.02050	0.9
109.02818	1.5
113.02304	0.3
121.02844	2.2
122.03654	0.4
123.00772	1.1
124.01573	2.3
125.02345	0.9
130.99770	0.5
133.02798	0.8
134.03639	5.0
135.04454	2.3
136.01538	1.3
137.02422	1.7
138.03148	1.7
139.03903	1.8
146.03555	0.5
146.04543	0.4
147.04428	2.8
147.08095	0.9
148.05205	4.2
149.02338	2.2
150.03133	21.2
151.03870	2.2
152.04602	0.6
159.04411	1.2
160.05196	1.1
161.02293	0.6
161.05969	0.7
162.03102	0.7
163.03915	2.6
164.04715	0.8
165.05469	9.7
166.05933	0.5
173.05980	1.5
174.06781	0.6
175.04008	0.7
175.07588	1.9
177.05527	0.8
177.09131	13.6
178.09497	1.3
187.04008	0.5
187.07524	2.7
188.04659	0.7
188.08292	2.1
189.09148	11.8
190.09454	1.4
191.03479	0.6
199.07597	0.7
201.05482	0.6
201.09166	1.7
202.06329	0.6
203.10712	42.0
204.10986	3.1
211.13385	0.5
213.09235	0.5
215.07150	0.6
215.10660	2.4
216.07742	0.5
217.08662	0.6
217.12221	0.5
223.07590	0.6
227.07097	0.9
229.04955	0.5
241.08476	0.5
242.09325	0.5
242.41444	0.4
243.10184	1.2
244.75264	0.4
245.08028	0.4
253.05058	0.6
254.05565	0.5
256.03644	0.5
259.09601	0.5
267.71042	0.4
271.06146	2.5
285.07544	0.5
286.08374	2.2
287.09146	0.4
297.07690	1.8
323.12827	0.9
325.10641	1.5
339.12296	0.6
340.13159	4.1
355.15485	100.0
356.15857	14.7
356.20370	0.7
559.21582	7.5
559.35291	0.9
560.22388	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	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80967	0.8
59.01248	10.3
62.20160	0.6
69.03349	0.8
69.59643	2.6
69.60058	1.3
71.01257	3.6
73.02805	3.8
81.03380	0.8
83.01260	1.0
85.02834	2.7
87.00747	1.9
89.02319	2.1
93.03345	2.3
95.01279	1.0
98.20535	1.1
99.00780	1.3
101.02339	3.8
108.02042	1.6
109.02838	2.2
113.02316	1.7
116.72204	0.6
121.02840	5.6
122.03627	2.2
123.04446	1.4
124.01578	0.9
125.02345	3.8
134.03624	1.7
136.01563	75.3
137.02365	4.3
143.03436	0.7
145.02843	0.9
147.04431	0.8
149.04556	1.1
149.05966	1.9
151.03914	100.0
152.04268	5.9
153.01802	1.2
154.02696	0.6
159.04453	1.0
160.05125	1.4
161.02286	0.8
162.03249	1.4
163.03957	1.8
165.01840	2.2
166.02612	1.5
167.03380	1.3
173.04478	1.0
173.06006	0.9
175.03850	0.9
175.07541	1.6
177.01863	0.9
177.05450	1.1
178.99815	1.8
179.03333	1.0
187.03993	0.9
189.05513	0.9
191.05521	3.2
193.01297	1.2
193.05022	1.4
194.02068	1.7
203.07152	0.9
205.01428	1.3
221.00883	2.6
223.13359	0.9
267.07037	1.1
267.12323	0.8
284.03360	1.7
342.11185	5.4
357.13431	86.8
358.13766	10.3
381.09897	0.8
441.11932	12.2
442.12262	1.7
471.12891	3.2
546.07294	0.7
561.15985	8.2
561.23761	1.2
562.17334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
59.01241	3.5
69.32658	2.1
69.33087	1.5
71.01254	4.4
72.99191	0.6
73.02823	2.3
75.00744	0.7
83.01269	0.7
85.02814	2.1
87.00759	0.6
89.02296	0.8
89.03833	1.4
93.03336	0.8
95.01256	0.6
99.00771	1.2
101.02332	3.2
109.73316	0.5
113.02299	2.6
117.03355	6.1
121.02826	0.4
125.02310	0.5
132.02051	2.5
133.02800	0.7
133.06456	1.0
134.03632	85.5
135.03970	3.5
137.02312	0.6
140.97639	0.5
143.03294	0.5
149.05991	7.6
160.01575	10.9
161.02168	1.0
161.04475	1.3
173.04471	0.6
175.03920	12.8
176.04369	0.5
177.05513	0.4
178.02602	1.9
191.05510	1.1
193.04993	100.0
194.05344	5.3
206.91173	0.4
223.32785	0.4
251.11282	1.1
308.46732	0.4
365.14377	1.0
383.15616	1.6
515.15320	0.9
559.20758	3.4
560.20465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.2
59.01253	2.9
60.27420	0.2
69.03298	0.3
71.01251	4.8
72.99178	0.6
73.02823	1.7
75.00773	0.3
83.01261	0.9
85.02830	2.2
87.00762	1.4
89.02322	1.4
89.03834	1.4
93.03339	0.7
95.01308	0.6
97.02834	0.3
99.00758	1.1
101.02325	3.2
106.04115	0.4
111.00768	0.4
113.02322	2.9
117.03345	4.6
118.03702	0.3
119.04919	0.4
121.02846	0.8
123.04429	0.3
125.02364	0.5
132.02048	2.2
133.02902	0.3
133.06468	1.7
134.03632	77.8
135.03934	3.0
137.02328	0.8
143.03366	0.4
147.04433	0.3
149.02380	0.3
149.05983	7.3
150.06322	0.4
151.00262	0.9
159.02890	0.5
160.00238	0.5
160.01572	10.1
161.02383	1.3
161.04474	1.5
161.05629	0.3
165.05511	0.3
175.03935	13.0
176.04242	1.0
177.01825	0.3
177.05484	1.1
178.02672	2.6
179.03352	0.3
191.05530	0.4
193.04999	100.0
194.05333	5.5
201.59874	0.3
203.03429	0.8
251.11325	1.4
267.07141	0.4
273.26224	0.2
293.12360	0.8
315.80774	0.3
323.07767	0.5
337.09219	1.1
341.05185	0.3
365.14520	0.8
383.15506	1.6
451.61295	0.3
497.14722	0.3
515.15442	1.2
559.14252	1.1
559.21423	3.4
560.13507	0.3
560.21027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70797	0.5
53.40633	0.4
56.77679	0.5
57.03334	0.9
59.01257	5.2
61.98707	1.1
71.01257	4.4
71.54113	0.6
72.99216	0.6
73.02836	1.2
75.00771	0.5
83.01263	0.9
85.02827	2.8
87.00751	4.1
89.02343	1.5
89.03851	0.8
91.05409	0.9
93.03329	3.0
94.07611	0.5
95.01270	0.6
99.00778	2.5
101.02325	3.4
105.03345	1.3
106.04109	0.7
107.04903	1.0
108.02078	0.8
109.02840	1.5
111.00808	0.5
113.02335	2.3
117.03324	3.5
119.04945	2.6
121.02856	2.1
123.04427	2.1
123.83213	0.5
125.02344	0.7
127.97926	0.6
130.04161	0.7
130.99809	1.0
131.04919	4.8
132.02072	19.8
132.05707	1.7
133.02902	7.5
133.06496	28.7
134.03642	53.0
135.04517	2.4
137.02322	2.4
137.05986	2.4
139.03908	0.6
145.02808	1.2
147.04445	3.5
148.05191	0.6
149.02368	0.8
149.05992	10.6
150.03113	0.5
150.06317	1.0
150.56482	0.5
151.03799	0.7
152.01025	0.7
153.01775	0.7
159.04420	0.7
160.01578	93.8
161.02365	19.0
161.04382	0.8
162.02780	1.1
163.03937	3.5
163.07558	0.6
165.05499	2.3
167.03484	0.9
173.04483	1.8
173.97295	0.5
174.03162	1.6
175.03931	100.0
176.04282	6.3
177.01904	3.0
177.05498	24.6
178.02635	4.1
178.05827	1.8
179.03432	2.2
189.05460	1.1
190.06114	0.6
191.05501	1.3
191.07115	1.5
193.04999	50.7
194.05281	3.2
201.08971	0.7
202.02631	1.9
203.03453	25.1
204.03777	1.9
217.04999	2.3
219.02968	0.7
221.04573	0.6
235.05971	0.9
237.04022	1.9
286.08127	0.6
321.09882	1.2
322.07053	3.9
323.07745	12.9
324.08038	1.1
334.72986	0.5
337.09305	32.2
338.09708	2.9
365.13947	0.6
387.05362	0.6
471.16611	3.5
472.16925	0.8
492.15250	0.7
515.15613	16.4
516.15509	2.8
541.13422	1.6
559.14386	19.2
559.22552	1.1
560.14624	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	559.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03321	0.3
59.01252	4.1
61.98708	0.3
68.61958	0.1
71.01258	4.6
72.99184	0.7
73.02815	1.9
75.00741	0.3
79.00565	0.2
79.52429	0.2
83.01260	0.7
85.02824	2.3
87.00737	0.8
87.85407	0.2
89.02323	1.9
89.03844	1.6
89.57761	0.1
93.03345	0.4
95.01273	0.4
97.02834	0.3
98.20656	0.3
99.00761	2.2
101.02321	3.5
101.02925	0.3
106.04142	0.3
107.04884	0.2
108.02084	0.3
109.02844	0.7
111.00759	0.3
113.02331	2.6
117.03353	5.4
118.03695	0.3
119.03516	0.4
119.04920	1.4
121.02818	0.3
123.04397	0.2
125.02339	0.4
127.71632	0.2
131.03412	0.3
132.02069	2.2
133.02895	0.3
134.03633	78.8
135.03955	3.4
137.02319	1.0
139.03928	0.6
143.03413	0.4
145.02846	0.4
145.04959	0.2
147.04327	0.2
149.02361	0.4
149.04649	0.3
149.05995	7.8
150.06328	0.3
153.01843	0.7
159.02893	0.4
160.01567	8.9
161.02003	0.6
161.04437	1.7
163.03915	1.5
165.05504	0.2
173.04506	0.4
175.03928	13.1
176.04272	0.6
178.02641	3.1
179.03250	0.2
184.93143	0.2
191.05547	0.6
193.04993	100.0
194.05322	6.0
203.05499	0.3
251.11366	1.8
252.94203	0.2
293.12390	0.7
343.08127	0.2
365.14542	1.2
383.15527	2.0
515.15375	0.3
559.20490	4.0
560.20380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70694	1.1
59.01247	2.9
61.98705	2.2
71.01253	4.0
75.51371	1.1
85.02828	2.3
87.00785	4.9
89.02322	1.2
89.03845	1.2
93.03313	1.8
101.02305	1.8
107.04913	1.3
108.66172	1.0
113.02351	2.2
117.03326	3.1
119.04915	1.9
123.04505	1.0
131.04910	4.5
132.02077	15.2
132.33702	0.9
133.02864	5.8
133.06494	24.0
134.03638	43.8
134.06828	1.3
135.04190	1.4
137.02348	1.8
137.05974	1.3
147.04367	2.2
149.05998	9.1
160.01578	75.9
161.02380	15.0
165.05402	1.4
173.04346	1.0
174.03146	1.9
175.03931	100.0
176.04297	6.8
177.01849	2.5
177.05493	26.3
178.02641	4.2
178.05783	1.7
179.03406	3.8
191.06963	1.1
193.04999	62.3
194.05377	3.3
202.02647	2.3
203.03433	30.4
204.03755	2.5
217.05066	3.1
225.94206	1.0
237.03900	1.2
271.99063	1.0
277.84601	1.0
321.09845	2.0
322.06931	4.6
323.07681	19.1
324.08084	1.9
337.09265	37.4
338.09583	2.9
471.16660	4.6
515.15594	21.5
516.15594	3.1
541.13446	3.7
559.14386	28.2
560.14862	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27765	0.5
55.01801	0.8
57.03366	1.8
59.01249	12.4
68.99702	0.8
69.03360	1.1
71.01257	15.8
71.03181	1.3
71.92455	0.5
72.99187	3.8
73.02864	1.3
75.00753	10.6
81.03402	0.6
83.01294	1.1
84.02103	0.5
85.02825	17.4
86.03213	0.7
87.00750	6.7
89.02324	4.5
93.03395	1.1
95.01268	3.1
99.00765	8.0
99.04455	0.5
101.02382	1.3
103.00329	2.0
111.00819	0.8
113.02338	23.1
115.00343	1.2
117.01910	2.0
117.03348	11.1
119.04922	33.7
120.05322	1.8
121.02843	1.1
124.01687	0.5
129.01907	1.5
131.03467	0.7
145.02858	45.3
146.03207	2.6
149.04498	0.5
157.01378	1.0
163.03923	34.1
164.04382	2.0
169.77692	0.5
173.04552	1.8
175.02446	1.7
175.03932	0.6
187.04192	0.5
193.03545	1.1
203.07137	0.7
207.05087	1.4
219.06799	0.5
231.04875	0.6
237.07684	2.4
249.06129	12.1
249.08537	0.8
261.07785	1.0
267.07208	60.1
267.88580	0.6
268.07523	3.2
333.09839	0.6
351.10864	8.9
352.10934	1.0
383.11423	1.0
395.09888	7.5
396.10071	0.7
413.10883	100.0
414.11237	11.9
559.14496	18.4
560.15167	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	559.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98196	0.7
57.03308	2.5
59.01251	16.2
67.01745	0.8
69.03339	0.8
69.35615	6.4
69.35903	0.6
71.01256	17.5
72.99180	3.8
73.02825	1.5
75.00751	12.5
83.01266	1.5
85.02824	18.2
87.00748	7.6
89.02318	4.8
91.03854	0.9
93.03306	1.0
95.01257	4.0
99.00760	7.5
99.59186	0.7
101.02327	1.2
103.00240	2.6
113.02338	27.2
114.02644	1.1
115.00276	2.3
117.01838	2.1
117.03349	13.5
119.04919	38.7
120.05280	1.2
121.02844	2.4
129.01842	1.4
131.03484	1.1
145.02859	49.7
146.03204	2.7
157.01204	0.7
159.69865	0.8
163.02531	1.9
163.03920	36.7
164.04248	2.7
175.02423	2.7
193.03447	1.0
201.26794	0.8
207.05020	1.2
219.06499	0.9
231.04915	0.7
237.07611	2.2
249.06172	12.8
261.07642	1.3
267.07205	67.9
268.07541	4.6
324.95004	0.8
351.10849	9.8
395.09784	6.4
413.10889	100.0
414.11176	10.6
559.14520	18.2
560.14685	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.77865	0.3
56.27020	0.3
56.35481	0.4
59.01238	0.6
63.96106	1.1
69.03332	0.6
71.01253	7.1
71.29573	0.3
71.32784	0.6
71.33135	0.4
72.99193	0.4
73.02822	1.2
78.98464	5.5
79.95602	8.3
80.96390	60.9
81.03336	0.6
81.96332	0.5
85.02820	2.5
87.00752	1.9
93.44650	0.3
94.97961	14.3
96.95903	0.9
97.02824	1.3
99.04443	0.3
101.02304	2.5
106.97968	3.0
122.97456	2.5
125.02346	2.3
127.03927	0.6
134.97476	5.2
136.99037	1.5
148.99042	5.0
152.98532	4.9
164.98543	10.8
167.00253	0.3
204.15549	0.3
206.99602	1.6
220.14362	0.3
225.00696	13.9
226.00998	0.6
226.86801	0.4
255.23189	2.2
299.04385	2.5
366.78143	0.4
472.01862	0.4
555.28418	100.0
556.28778	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	557.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03321	0.6
57.12067	0.4
58.00468	0.6
59.01250	6.6
61.00887	1.2
68.99692	4.6
69.03330	0.9
71.01257	9.0
71.52589	0.5
71.52966	0.5
72.04388	0.6
72.99180	3.8
73.02813	1.8
75.00745	6.9
78.95770	0.4
81.03348	0.7
83.01260	3.4
85.00902	6.8
85.02808	3.0
87.00760	3.3
88.98663	0.5
89.02322	4.2
93.03337	1.4
95.01286	0.7
96.96865	0.7
96.99186	2.0
97.02827	1.4
97.06500	0.6
97.99967	2.8
99.00758	5.5
101.02334	5.0
103.00259	4.0
103.01963	0.9
108.02106	0.5
109.02814	1.2
109.42723	0.4
111.00760	2.4
111.04402	0.4
112.98697	10.1
113.02330	2.3
113.99032	0.5
115.00267	1.4
115.01990	4.3
117.01825	1.9
117.61221	0.4
119.03404	0.5
121.02905	0.5
122.03653	0.6
123.04378	0.6
124.98719	5.2
125.02347	2.8
127.00269	1.0
127.01965	2.1
127.03927	0.5
127.05078	0.6
128.03442	0.8
129.01819	2.1
129.03578	0.4
131.03404	1.7
135.04411	1.6
137.02296	0.5
141.03357	0.6
142.99760	2.4
143.03398	0.6
145.01340	9.4
147.04497	0.6
149.04463	0.4
149.06003	0.6
154.99783	1.2
155.03395	0.5
157.01340	13.3
157.03032	8.5
158.01729	0.9
159.02910	3.1
159.04164	0.6
161.04555	0.6
169.03026	1.0
169.09669	0.9
170.99547	0.6
173.00827	1.2
173.04478	1.7
175.02608	0.6
175.04085	2.0
179.03430	1.2
187.02429	12.8
187.04034	1.1
188.02815	0.8
189.05594	0.7
191.05536	2.2
193.05132	0.5
199.04176	1.7
215.05458	1.0
215.10326	1.8
216.05238	0.8
216.08755	1.4
217.05200	11.1
231.06778	3.0
247.06236	0.5
259.03851	0.7
259.06323	6.8
260.06906	0.6
305.06854	0.6
319.08377	4.1
337.58908	0.5
341.10770	0.6
349.09531	1.0
351.10785	0.5
353.08786	0.6
363.21027	0.5
405.08444	1.1
409.08020	1.3
435.09641	0.7
437.11200	1.0
465.10492	1.6
497.13333	2.7
525.12872	1.6
557.15326	100.0
558.15662	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	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03319	1.9
59.01250	10.2
67.01820	0.4
68.99687	0.9
69.03349	1.1
71.01254	12.8
72.99200	3.2
73.02829	1.6
75.00750	7.6
75.01139	0.6
81.03305	0.6
83.01274	0.5
85.02823	13.8
85.13280	0.5
87.00756	4.9
89.02314	3.8
91.03922	0.6
93.03355	0.8
95.01262	3.3
98.19742	0.7
99.00764	6.0
101.02353	0.5
103.00234	2.4
111.00790	0.6
113.02332	20.7
114.02676	0.7
115.00256	1.3
117.01845	1.8
117.03345	9.3
119.04918	30.1
120.05279	2.0
121.02848	1.0
129.01816	1.5
130.99756	0.4
131.03448	0.7
145.02856	37.3
146.03200	2.4
149.04364	0.5
157.01413	0.4
163.03920	29.4
164.04294	1.8
175.02391	1.9
175.03784	0.5
193.03450	0.9
193.27180	0.4
207.05051	1.0
219.06468	0.6
231.05130	0.6
231.79774	0.4
237.07677	2.1
249.06140	11.0
250.06506	0.7
261.07669	0.8
267.07205	55.2
268.07565	3.4
298.77667	0.5
305.63345	0.4
333.09921	0.7
351.10822	8.3
352.11212	1.2
383.11310	0.6
395.09818	6.5
396.09970	0.7
399.05017	0.7
413.10895	100.0
414.11243	10.2
429.09613	0.7
471.10989	1.5
559.14502	15.0
559.21301	0.6
560.15021	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	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10649	0.2
58.90346	0.3
59.01254	21.0
60.01584	0.4
61.98706	0.5
71.01248	0.4
78.95780	18.7
79.95616	0.5
80.96399	2.5
94.97963	0.6
96.95923	0.5
98.20577	0.6
104.97370	0.3
106.97874	0.2
145.69434	0.2
148.99023	0.4
152.99510	2.8
164.98526	0.7
168.04222	3.0
174.65450	0.2
192.23128	0.2
211.25388	0.2
224.06877	7.4
225.00734	0.7
242.07953	2.2
255.23274	100.0
256.23615	9.5
480.30954	59.3
481.31290	8.6
499.10516	0.3
554.26453	1.9
555.28223	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	555.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.2
58.00479	0.2
59.01253	5.1
61.98706	0.3
65.29971	0.2
69.03324	0.2
70.66641	0.6
71.01248	3.3
72.99174	0.5
73.02814	1.6
85.02840	1.0
87.00761	0.8
89.02318	3.0
89.02844	0.3
89.03834	1.5
93.03336	0.7
95.01286	0.4
99.00758	3.9
101.02321	1.5
106.04136	0.3
107.04955	0.3
113.02348	2.3
115.03917	0.7
117.03359	5.2
119.03412	0.5
119.04893	1.0
121.02859	0.5
125.02374	0.2
131.03426	0.5
132.02066	2.8
133.02789	0.2
134.03632	78.0
135.03940	3.9
137.02344	1.8
139.03914	0.2
142.54974	0.2
145.02888	0.4
147.04402	0.7
149.02216	0.3
149.04510	0.6
149.05983	7.2
150.06317	0.4
160.01572	9.6
161.02008	0.5
161.04417	0.4
163.03912	1.0
167.03403	0.4
175.03922	11.0
176.04346	0.8
176.77023	0.3
178.02623	0.9
179.07069	0.2
187.07533	0.3
191.05502	0.7
193.04991	100.0
194.05318	6.3
258.71695	0.2
316.48438	0.2
361.15015	0.4
372.94205	0.2
379.16031	0.9
485.46848	0.2
555.20538	3.3
556.20624	0.7
579.15356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82487	0.3
55.01754	0.7
57.03325	2.0
57.95071	0.3
58.00465	2.9
59.01252	57.4
60.01587	0.6
61.60728	0.3
61.98719	0.5
64.81291	0.3
68.99699	0.5
69.03343	0.7
71.01254	29.4
71.41575	0.7
72.01636	0.6
72.02047	2.8
72.02315	0.2
72.13018	0.3
72.99185	2.9
73.02831	1.3
75.00755	0.6
80.25890	0.3
80.96374	0.4
83.01261	1.3
83.04900	1.0
85.02819	5.3
87.00744	3.0
89.02316	30.3
90.02665	0.4
95.01256	2.8
95.26346	0.3
97.02811	0.3
98.03625	0.3
99.00780	0.6
101.02325	16.5
101.05946	2.9
102.02643	0.4
106.04152	0.5
107.04952	0.4
109.02843	0.4
109.68623	0.3
111.00821	0.3
113.02334	13.2
114.02686	0.4
119.03391	10.8
121.02855	0.5
124.05186	0.8
125.02363	0.4
131.03401	0.7
134.03642	0.3
135.04460	0.4
137.02371	0.9
139.00250	0.3
143.03371	1.8
147.04456	1.1
149.04492	0.4
149.06082	0.4
161.04536	1.6
162.76073	0.3
179.05525	3.2
185.00877	0.3
191.03505	0.4
219.17612	0.4
243.17549	0.7
257.19235	0.6
259.20667	3.0
260.21127	0.7
261.22226	40.8
262.22583	4.9
273.22131	0.6
277.25919	0.4
285.18985	0.5
285.22070	1.5
286.22250	0.3
287.20230	3.8
288.20401	0.5
289.21915	0.5
291.23135	0.4
292.23959	0.3
301.21683	2.0
302.22205	0.3
303.19913	0.8
303.23270	10.1
303.26633	0.6
304.23737	1.3
305.21213	31.0
306.21518	4.2
311.20026	0.4
313.18219	0.4
318.28372	0.3
319.22681	1.4
329.21216	5.2
330.21591	0.7
331.19131	12.4
332.19504	1.1
344.78616	0.3
345.20776	2.8
347.22253	100.0
348.22601	13.7
349.20187	17.3
350.20526	2.4
355.19006	0.6
361.23944	1.1
363.21710	0.5
373.20175	8.6
374.20660	1.3
389.23260	1.2
391.21255	67.9
392.21600	10.0
433.22299	5.9
434.22546	1.1
452.77832	0.3
480.34662	0.4
493.24536	1.0
511.25232	2.1
512.25574	0.5
551.05457	0.3
553.26520	25.4
554.26892	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	0.7
59.01251	14.3
61.98689	0.6
71.01254	3.5
72.99189	0.6
73.02825	0.6
73.35863	0.4
78.23346	0.4
80.96389	0.6
83.01255	0.6
85.02834	1.0
89.02315	2.9
90.70485	0.4
101.02321	2.6
113.02316	1.7
119.03399	1.5
146.67590	0.4
161.04457	1.0
235.08246	2.4
245.34465	0.4
250.62454	0.4
253.09305	13.5
255.23285	100.0
256.23615	9.7
378.57458	0.5
491.31577	0.6
548.31842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85380	0.7
54.53152	0.7
55.35282	0.7
59.01255	16.3
61.98713	1.6
71.01260	3.9
73.02817	0.9
78.95795	1.1
79.95614	1.7
80.96389	3.0
87.00748	1.0
89.02315	2.4
90.87402	0.8
93.93095	0.6
94.97947	1.0
96.95872	1.2
98.19799	1.9
101.02330	3.6
113.02343	1.1
116.56327	0.7
118.39497	0.6
125.02337	0.7
161.04459	1.1
178.46942	0.7
196.52010	0.6
218.71933	0.7
229.63547	0.9
235.08202	1.6
253.09286	11.5
255.23277	100.0
256.23618	9.1
274.74530	0.7
387.83936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60375	1.0
55.01761	2.2
59.01251	100.0
71.01250	13.0
73.02804	5.3
75.00760	1.9
83.01258	2.9
85.02821	8.1
87.00758	9.8
87.04382	1.6
89.02290	3.2
93.03342	3.9
94.83788	1.0
95.01252	1.3
97.02837	1.5
99.00745	2.7
101.02325	9.3
108.02021	1.6
109.02820	3.7
111.00768	1.9
113.02344	5.8
117.03366	1.1
118.83026	0.9
119.04918	2.2
121.02841	1.2
122.02328	1.7
125.02332	1.7
129.01848	0.9
130.99759	1.1
133.02832	4.3
134.03583	1.7
135.04370	1.9
135.14432	0.9
137.02377	5.8
145.02844	4.5
147.04417	12.4
148.05106	1.3
148.88499	1.2
149.05971	6.5
152.01122	1.0
153.01869	0.9
161.02348	15.8
161.04408	1.7
163.03851	1.5
165.12743	1.1
172.05197	1.4
173.04457	5.7
173.05803	1.2
175.03941	6.3
177.01990	1.1
179.03416	1.3
183.13794	1.1
187.03941	1.3
188.04723	1.8
193.01300	1.0
193.04994	4.7
193.64281	1.0
208.03867	1.2
211.03966	2.2
213.09209	1.0
214.06236	1.2
215.06927	1.8
218.02312	1.1
219.02940	15.5
220.03319	1.3
223.06036	2.1
225.09210	2.1
240.04230	2.0
241.08606	1.4
242.48393	1.0
243.10237	4.0
247.93837	1.1
267.07047	2.1
269.08130	1.3
275.63614	1.2
282.23621	1.1
287.09225	2.4
313.03735	1.0
313.07190	2.2
359.80692	1.1
375.16522	4.0
405.25131	2.0
447.25851	2.3
465.26898	4.7
489.11642	1.1
489.27084	4.5
492.36102	1.2
507.28073	96.7
508.28271	11.8
533.10919	2.8
551.12042	2.3
551.24231	10.2
552.24695	2.3
558.10101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.6
57.03315	0.8
58.99993	0.4
59.01251	10.9
61.98705	1.6
69.03334	0.5
71.01255	6.4
71.04905	0.5
72.99172	0.9
73.02828	1.8
75.00748	1.1
78.95770	0.7
81.55357	0.4
83.01268	1.0
83.04892	0.5
84.84463	0.4
85.02816	2.8
87.00745	4.8
89.02316	3.5
93.03341	1.1
93.40637	0.4
96.95885	0.6
97.02792	0.4
97.06462	0.5
99.00766	1.2
101.02306	4.0
101.05916	0.5
102.26626	0.5
108.02053	2.7
109.02840	2.0
111.00764	0.7
113.02338	2.0
117.03349	25.0
118.03692	1.3
119.04916	16.2
120.05227	0.6
121.02837	1.6
122.02383	4.1
123.04431	1.0
123.08039	0.7
125.02362	0.9
126.16197	0.6
130.99777	1.0
133.02849	0.8
134.03662	3.4
135.04413	0.8
136.04129	0.5
137.02335	1.9
141.09116	1.3
145.02858	100.0
146.03186	5.8
147.04439	3.7
148.05209	0.7
149.06023	3.5
152.01077	3.2
153.01842	1.4
159.04425	0.8
160.01488	0.7
161.02339	1.4
161.05977	1.3
163.03923	25.5
164.04482	1.0
165.05437	0.5
165.12749	0.5
165.86897	0.5
167.03424	1.8
172.05141	0.5
173.04463	0.9
173.06035	0.6
175.03938	1.7
175.07529	0.6
177.01912	0.9
177.04028	0.4
177.05531	0.7
179.03433	0.8
181.12364	0.5
183.13889	0.8
185.06009	0.8
187.07620	0.7
193.05005	4.6
201.05551	0.7
205.05090	2.2
208.03658	0.5
209.11922	0.5
215.06932	0.6
217.01440	0.5
219.03079	0.8
223.06087	1.4
227.12854	4.0
237.04010	1.7
243.06667	0.9
323.07785	1.3
341.10931	0.5
370.14426	0.5
371.14499	0.7
397.98984	0.6
419.26404	1.2
431.20517	0.6
465.26767	0.6
491.31903	0.6
507.12912	0.7
507.21976	0.5
507.28293	3.4
508.12741	0.5
508.28754	0.9
551.24933	69.8
552.25275	13.0
552.33099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
55.46050	0.4
57.03338	0.4
59.01250	2.9
69.03314	0.6
69.31048	2.8
69.31469	0.8
71.01257	2.9
72.99199	1.1
73.02823	1.2
74.51556	0.4
83.01261	0.6
84.51022	0.4
85.02832	2.5
87.00754	1.8
89.02325	1.3
93.03336	1.2
95.01287	0.6
97.02874	0.4
98.19823	0.7
99.00777	0.9
101.02341	0.8
101.72426	0.5
108.02057	52.8
109.02884	9.1
113.02370	1.9
119.04900	0.8
121.02849	23.7
122.03660	0.5
123.00782	0.8
123.04432	1.0
125.02303	0.5
132.02054	1.5
133.02853	0.4
134.03636	3.5
135.04411	1.5
137.02367	0.9
145.02852	0.7
146.03651	0.7
146.06149	0.5
147.04419	2.9
148.05115	0.6
149.02354	1.3
149.05994	7.4
150.03175	3.1
151.00352	0.8
151.03860	0.8
152.01062	100.0
153.01503	4.7
160.01579	10.0
161.02295	1.2
161.05962	0.5
162.03113	0.9
163.03922	4.6
164.04707	0.4
165.04207	0.7
165.05457	2.7
174.03169	0.9
175.03929	14.6
176.04366	0.7
177.01825	1.3
178.02524	0.5
179.03468	0.9
180.04031	0.4
191.03456	0.5
192.04143	0.4
193.05049	4.9
195.06541	2.2
207.02847	0.6
219.02936	5.0
235.06099	0.5
237.03935	1.0
264.06662	0.6
269.12952	1.7
287.09372	0.5
297.06241	0.9
315.07150	0.9
329.06772	1.0
337.09244	5.1
338.09445	0.5
429.10358	30.1
430.10681	3.7
433.14035	2.3
434.14572	0.6
479.41599	0.4
503.15546	6.6
504.15723	1.2
514.81036	0.4
533.15796	3.1
534.15619	0.6
551.14014	64.4
552.14398	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03323	1.5
59.01251	100.0
60.01589	1.3
61.98708	0.6
67.22825	0.2
68.93670	0.3
68.99687	0.3
69.03340	0.5
71.01253	12.8
71.54675	0.4
72.01619	0.3
72.99195	0.8
73.02814	3.3
75.00761	0.5
83.01261	2.6
85.02823	7.3
87.00758	1.7
89.02314	4.0
95.01262	1.6
97.02861	0.5
99.00737	1.6
101.02323	8.1
102.02651	0.3
111.00761	0.6
112.01629	0.3
113.02329	9.7
114.02654	0.6
117.03360	0.3
119.03429	0.9
119.04929	0.3
121.02879	0.5
124.89072	0.3
125.02369	0.6
129.01823	0.3
129.56168	0.3
130.99731	0.3
135.04414	0.6
137.02368	1.1
143.03413	1.4
147.04416	2.0
148.05132	0.4
149.02429	0.3
149.04614	0.3
149.06036	0.6
159.02977	0.6
159.04434	0.6
161.02354	0.5
161.04456	2.9
163.03908	0.5
173.06004	0.7
175.03981	0.4
175.07539	0.3
180.31979	0.2
185.05998	0.4
186.06844	0.3
187.03963	0.4
191.03522	0.6
192.04263	0.5
193.05011	0.5
196.05411	0.4
201.05598	0.5
202.06270	0.3
211.13399	0.5
213.18535	0.4
227.03519	0.4
241.05064	1.0
242.05928	0.6
253.05084	0.3
255.02989	0.6
255.10318	0.3
256.17969	0.3
269.04657	0.9
270.05310	7.8
270.07968	0.5
299.25946	1.9
345.30081	7.7
346.30600	1.1
359.51944	0.3
402.80893	0.3
415.04733	0.3
441.32034	0.4
459.33456	0.4
488.11349	0.9
488.33139	0.4
489.34320	23.8
490.34711	4.4
491.10123	0.5
505.11899	0.6
506.12228	1.0
507.35345	10.2
508.35483	1.7
531.22968	0.3
531.92938	0.3
549.23474	0.6
549.36206	0.4
550.11316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
61.98705	1.2
71.01250	0.8
74.14613	0.5
80.26038	0.5
84.77707	0.5
87.00744	1.1
89.00459	0.5
96.95876	3.5
98.20585	0.9
121.02835	1.1
133.02820	0.6
147.04422	0.5
149.02316	0.5
167.06969	0.5
169.02817	0.7
183.13800	0.6
185.02315	0.5
197.02341	2.7
198.02960	0.7
199.03944	0.6
201.01947	0.7
209.02347	0.9
211.03995	1.1
211.06024	0.9
212.04756	1.1
213.01874	1.6
215.03467	0.6
225.01855	6.7
226.02528	1.2
227.03531	0.6
228.04320	0.8
229.01532	0.7
239.03481	0.8
239.07100	1.7
240.04285	4.5
241.01404	4.0
241.04974	0.6
242.02013	0.5
243.02814	0.6
253.01453	3.5
254.02222	0.6
255.02908	0.9
255.06633	1.9
256.03665	2.3
259.06070	0.6
267.03012	0.9
268.03677	2.3
269.00906	10.5
270.01230	0.8
281.00931	0.6
282.01578	0.6
283.02475	2.1
283.05823	1.0
284.03259	10.7
285.03546	0.9
296.03229	3.4
297.00464	6.0
297.03635	0.6
299.05560	12.0
300.05997	1.0
311.02008	1.7
312.02747	19.8
313.03146	1.3
314.07962	9.8
315.08188	0.8
327.05121	8.2
328.05588	0.8
342.07440	100.0
343.07806	10.4
449.74973	0.7
450.23825	0.5
523.15997	0.6
551.15668	2.5
551.30115	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	550.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.9
61.98705	100.0
66.59428	0.5
69.41107	0.4
71.01270	1.7
81.59828	0.4
85.56995	0.4
87.00725	0.7
89.26853	0.4
98.03414	0.4
98.19763	1.1
99.00746	0.5
113.02328	0.5
123.04420	0.7
133.02856	44.9
134.03162	2.2
147.04469	0.8
165.83725	0.4
209.06039	0.6
223.07623	1.2
224.08397	3.5
229.69440	0.5
239.10747	96.6
240.11093	9.2
295.76718	0.4
309.29419	0.5
328.60757	0.4
338.68942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31878	1.4
59.01244	4.1
61.98704	2.3
63.66294	1.5
67.59399	1.3
71.01284	1.1
85.02817	1.6
85.05604	1.3
95.01255	1.6
95.39442	1.4
101.02304	1.6
107.03050	1.5
108.02041	4.0
109.02828	5.2
113.02306	1.2
117.79162	1.2
119.04887	1.5
121.02804	5.3
122.03642	15.7
123.04428	23.4
130.00165	1.5
134.03642	2.5
135.04424	23.6
136.01576	1.5
136.05180	3.8
136.72838	1.2
137.02335	5.1
137.05931	5.1
137.09503	1.5
147.04346	1.8
148.01552	12.1
149.02304	6.3
149.05978	1.7
150.03131	8.4
151.03891	16.7
160.01527	4.8
161.02362	14.5
162.03131	34.8
163.03918	28.4
164.04501	2.6
165.01846	2.6
165.05469	7.5
166.02621	2.1
167.03351	3.2
174.03036	1.9
175.03902	4.2
177.05418	1.6
178.02576	3.2
179.03453	4.0
181.04951	4.6
189.01796	7.6
190.02647	32.2
191.03409	29.1
192.03886	2.7
193.04993	6.3
194.05638	1.6
202.02643	2.5
203.03371	2.8
208.03624	1.5
209.04489	14.2
220.03717	16.4
221.04425	12.7
232.03604	1.6
239.05606	4.8
256.07425	4.2
271.09665	1.6
273.11160	3.3
284.06964	1.9
299.09082	2.3
301.10815	2.6
327.08765	11.8
328.08975	2.4
329.10492	3.1
337.09177	2.8
342.07446	1.7
345.09753	100.0
346.10138	13.4
355.07913	1.7
357.09778	4.3
375.10822	45.1
376.11057	5.1
429.11850	4.5
465.13831	5.1
507.15201	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	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36178	0.2
55.01763	0.7
56.62659	0.2
57.03324	1.7
58.00457	0.2
59.01253	100.0
60.01584	1.3
61.98715	0.5
68.99686	0.3
69.03334	0.5
71.01257	10.4
72.01591	0.3
72.99200	1.0
73.02819	3.0
75.00748	0.3
80.67740	0.3
81.03346	0.3
83.01269	2.6
83.01704	0.2
85.02827	6.8
87.00757	3.0
89.02325	1.9
91.05421	0.4
92.62992	0.2
93.03348	0.5
95.01270	1.6
95.04939	0.3
97.02840	0.5
98.19722	0.4
99.00762	1.5
101.02328	6.3
102.02654	0.2
105.03372	0.3
107.08206	0.3
109.02856	0.3
111.00815	0.7
113.02338	7.7
114.02664	0.3
119.03403	0.5
119.04908	0.5
121.02876	1.0
122.03613	0.3
125.02356	1.0
129.01863	0.4
130.99765	0.3
135.04445	1.2
137.02348	1.3
139.03972	0.3
143.03386	1.5
146.03691	0.2
147.04424	2.6
148.05194	0.4
149.05978	0.6
152.03494	0.4
152.07161	0.3
157.71416	0.2
159.03015	0.6
159.04369	0.4
161.04477	2.3
163.03943	0.6
172.05215	0.3
173.04683	0.4
173.06030	0.7
174.05553	0.4
175.03886	0.5
187.03963	0.6
187.07707	0.3
188.07106	0.5
189.05487	0.3
191.03482	0.6
192.04277	1.0
193.05061	0.7
209.11780	0.3
211.13409	0.3
215.07158	0.3
229.53110	0.3
262.70209	0.2
282.64642	0.2
299.25845	1.5
301.10846	1.0
312.06259	0.3
327.15942	0.3
345.30124	7.6
346.30463	1.3
427.87985	0.3
441.32227	0.6
459.33508	0.6
489.34323	24.8
490.34659	4.5
507.35370	11.1
507.43030	0.3
508.35611	1.6
549.10358	0.6
549.37299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.6
61.76523	0.8
65.03835	1.1
69.95684	0.7
70.17728	2.9
71.01257	1.0
87.00761	1.1
91.05390	4.0
93.03336	0.8
96.59845	0.8
108.02055	1.3
109.02848	13.0
121.02833	3.2
135.04420	37.9
136.04747	2.4
138.03134	2.3
140.13615	0.9
147.04437	8.1
149.02368	1.0
151.03966	1.4
153.05530	5.2
164.04716	2.2
179.07082	4.2
185.05849	1.0
209.06139	0.8
212.04614	0.9
227.07100	1.7
254.05777	2.7
255.06442	1.0
269.08173	5.5
271.05930	1.7
301.10822	100.0
302.11136	10.6
363.12143	1.0
489.34052	2.2
507.35516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59476	0.2
55.01766	0.3
57.03322	0.5
59.01254	100.0
60.01587	2.0
61.01668	0.6
61.36075	0.2
61.98701	0.3
70.90160	0.2
71.01257	4.4
71.11732	0.4
72.01596	0.3
73.02822	1.2
75.00755	0.5
76.96619	0.2
83.01286	0.8
85.02837	1.7
87.00763	1.8
89.02318	2.3
90.02670	0.4
92.33718	0.2
93.03355	0.4
95.01296	0.5
97.19501	0.2
99.00783	0.5
101.02328	3.7
108.02071	1.0
111.00803	0.3
113.02340	2.6
114.02678	0.3
119.03419	0.7
121.02830	3.5
123.04411	3.1
130.99770	0.5
134.03673	0.7
135.04492	0.3
137.02351	0.8
143.03481	0.4
146.03667	0.3
147.04411	1.3
148.05194	0.5
149.05978	2.8
161.04509	0.6
163.03972	0.4
175.03851	0.2
187.04002	0.3
191.03419	0.3
192.04263	1.0
193.04979	0.3
199.13763	0.3
201.05615	0.5
201.09224	0.2
211.13441	0.3
213.05569	0.2
213.18576	0.4
214.18971	0.3
255.06738	0.5
285.11331	9.4
286.11841	0.9
345.15945	0.2
345.30157	0.7
357.76001	0.3
488.33044	1.8
489.34232	3.0
490.34900	0.3
506.34232	1.4
507.34897	1.5
549.23163	0.7
549.31940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0888
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.27546	0.9
59.01245	7.4
61.98697	1.1
65.00178	2.3
71.01254	4.7
71.54063	1.0
72.99182	0.8
73.02826	2.0
77.97684	0.9
83.01260	1.7
85.02833	2.9
86.52248	1.0
87.00748	3.1
89.02306	3.3
93.03300	1.9
99.00760	1.4
101.02321	3.1
107.01269	3.1
108.02061	2.3
109.02819	3.6
113.02326	1.8
119.04922	4.9
121.02808	4.0
125.02361	2.3
128.03459	0.9
134.03596	1.9
137.02336	2.0
145.02794	2.5
147.04404	2.7
148.01572	2.3
148.78955	1.0
149.05991	2.1
151.00294	12.8
152.00995	0.9
158.03712	1.1
159.04379	1.4
160.01532	1.7
161.02357	1.9
161.05940	1.5
163.00278	3.4
163.03934	11.6
165.03973	1.4
174.03217	1.3
175.03889	4.6
177.01854	1.9
178.99799	5.2
181.04768	1.0
183.04309	1.2
185.05963	1.1
189.01901	1.5
191.05473	1.4
193.04980	2.9
199.03865	2.2
205.01353	1.8
211.03972	1.4
221.53775	0.8
226.02721	1.6
227.03384	3.6
231.65237	1.1
243.03008	10.4
244.03439	1.6
254.02184	2.5
255.02960	26.8
255.06749	1.2
256.03360	2.0
258.07126	1.1
271.02478	65.0
272.02881	5.9
299.01947	1.8
300.02750	100.0
301.03455	50.7
301.06958	2.1
302.03748	3.5
303.21829	2.3
315.01389	1.9
337.09216	1.4
341.17618	1.9
345.06149	5.6
345.12894	1.0
383.07983	1.6
463.08530	5.1
505.09875	79.6
506.10141	12.0
520.08093	1.1
520.17554	1.2
549.11591	2.9
549.28790	1.8
550.11652	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	549.1249
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
50.86163	0.2
57.56423	0.2
59.01236	1.2
59.18558	0.3
63.02266	0.5
65.00200	0.5
69.53628	1.5
83.01257	0.5
87.00734	0.4
89.02305	0.5
91.01736	0.4
93.03342	1.0
107.01266	1.9
108.02122	0.3
109.02802	0.4
113.02297	0.3
123.00817	0.3
132.02048	0.9
135.00766	1.2
137.02325	0.6
143.01828	0.3
143.04941	0.5
151.00261	2.4
152.01025	0.5
153.01889	0.3
157.06479	0.4
159.04408	0.5
163.00279	1.9
164.00954	0.4
165.00238	0.3
165.01842	0.3
167.04909	0.6
169.01379	0.4
169.06473	0.5
171.04474	0.4
178.99820	1.9
179.01196	0.4
183.04375	0.7
185.06023	1.4
187.03908	1.9
189.05502	0.7
195.04369	0.3
197.05989	0.6
199.03860	0.6
200.04736	0.4
201.05475	0.3
211.03922	1.8
213.05544	1.4
214.02701	0.4
215.03316	0.3
227.03442	31.4
228.03830	2.7
229.05008	6.5
230.05389	0.8
239.03419	1.1
240.04233	0.5
241.04979	1.2
255.02966	58.9
256.03497	8.2
257.04529	4.8
267.03024	0.5
275.10513	0.3
283.02448	1.1
284.03253	99.5
285.03973	56.6
286.04404	4.6
313.03442	1.0
314.03680	0.5
327.05017	0.6
328.05759	0.4
343.08228	2.2
344.08612	1.1
386.93692	0.3
399.07196	0.8
417.08405	0.8
549.12488	100.0
550.12823	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	549.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69720	0.4
59.01254	2.7
65.03838	1.9
67.01760	0.8
70.83537	0.7
70.83881	0.6
71.01267	0.5
76.76022	0.4
91.05418	11.1
92.05751	0.7
93.03317	2.1
108.02075	0.9
109.02843	15.5
121.02837	7.3
123.00776	0.4
133.02853	0.6
133.73355	0.4
135.04419	92.6
136.04756	4.5
137.02336	0.9
138.03128	2.0
147.04427	8.2
148.66791	0.3
149.02362	2.3
151.03949	1.3
152.04657	0.6
153.05464	4.3
156.78000	0.4
164.04732	4.6
177.05499	0.8
179.07071	7.5
180.07393	0.7
201.05679	0.4
203.07184	0.4
212.04764	0.5
225.09129	0.4
227.07101	1.6
229.05099	0.4
254.05815	1.8
255.06633	0.8
268.07611	0.4
269.08142	2.9
270.08765	0.5
271.06140	1.3
276.78610	0.4
286.08536	0.6
301.10809	100.0
302.11179	11.9
441.51492	0.4
458.65128	0.4
474.14474	0.4
489.34250	1.2
505.17041	2.5
507.35477	0.4
541.94348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03325	1.8
58.00470	0.3
59.01252	100.0
60.01580	1.4
61.98686	0.4
65.39365	0.2
69.03324	0.8
70.65591	0.5
71.01254	14.8
71.04840	0.2
72.99176	1.0
73.02819	5.0
75.00753	0.7
81.03313	0.3
82.87827	0.2
83.01259	5.3
83.01716	0.4
85.02823	9.1
85.99980	0.6
86.03152	0.2
87.00759	2.4
89.02316	1.8
93.03308	0.3
93.06961	2.6
95.01265	1.6
97.02835	0.8
99.00767	2.8
101.02325	11.7
102.02674	0.2
109.02856	0.4
111.00765	1.3
111.08057	0.9
112.01626	0.3
113.02333	9.1
115.03876	0.5
115.91947	0.4
116.92745	2.5
117.92752	0.3
119.03384	0.5
121.02829	0.8
122.03617	0.2
124.01500	0.2
125.02351	1.0
129.01849	0.6
130.99792	0.3
132.02097	0.6
133.02861	0.4
134.03668	0.5
135.04436	1.2
137.02324	0.5
143.03410	1.6
145.02856	0.4
146.03606	0.2
146.39085	0.2
147.04404	1.0
149.05968	0.3
159.02881	1.4
159.04170	0.4
160.01579	2.4
161.02359	0.4
161.04475	5.7
161.05843	0.4
162.03120	0.3
163.03928	0.3
171.04414	0.2
172.05177	0.5
173.06024	0.4
175.03941	2.5
177.01851	1.2
185.05997	0.3
187.03934	0.6
187.07492	0.4
189.05495	0.4
190.02721	0.3
191.03413	0.5
191.05563	0.3
191.07094	0.3
193.04967	0.3
199.07544	0.3
201.05473	0.7
202.06223	0.7
203.07036	0.2
205.01404	2.8
207.02873	0.2
211.17030	0.6
213.18546	2.8
214.18919	0.3
215.07098	0.6
217.04906	0.2
231.06593	0.5
247.06082	0.4
273.07568	0.3
274.08466	0.9
280.90198	0.3
291.08710	1.6
292.09564	1.0
299.12830	0.4
304.48416	0.3
313.03397	0.6
313.27582	0.3
325.27448	0.4
333.13641	0.2
334.14401	0.5
343.08139	0.8
343.28510	1.7
344.28720	0.3
357.22797	5.5
358.22946	0.5
359.15076	0.2
369.13812	0.3
375.23868	7.4
376.24261	0.8
387.14883	0.3
388.15271	0.6
406.16388	0.7
427.30606	0.6
439.30475	0.4
451.30420	0.2
457.31439	0.4
469.32104	1.1
485.21948	0.3
487.32758	30.2
488.33102	5.5
505.33841	17.7
506.34116	2.9
547.08911	2.0
547.24603	1.8
547.34711	0.7
548.09106	0.3
548.24945	0.3
548.33917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03317	1.2
58.00478	1.3
59.01252	100.0
60.01595	1.1
69.03324	0.3
71.01256	24.0
72.01614	0.5
72.99186	1.5
73.02821	5.2
75.00740	0.3
77.03537	0.3
83.01262	2.8
83.04943	0.3
84.02072	0.4
85.02824	7.9
86.03195	0.3
87.00757	4.2
89.02319	16.3
93.06981	1.2
93.14066	0.2
95.01257	2.0
97.02840	0.8
97.06487	0.3
98.20566	0.7
99.00763	1.3
101.02325	16.8
102.02684	0.5
105.92503	0.2
111.00788	0.8
111.08056	1.9
113.02331	12.7
115.03912	0.3
116.92775	1.3
119.03392	7.7
122.03639	0.3
123.22025	0.2
125.02328	1.3
130.99770	0.5
131.03369	1.1
135.08070	1.0
137.02373	0.6
139.04015	0.3
143.03395	2.5
146.03642	0.3
147.04469	0.6
148.05211	0.4
149.04445	0.5
149.05977	0.5
151.03914	0.3
153.09171	0.2
159.02936	0.9
159.04359	0.4
160.01561	0.3
161.02411	0.4
161.04462	5.3
162.03156	0.4
163.03958	0.3
172.05270	0.4
173.06055	0.3
174.03188	0.3
174.06870	0.2
174.18164	0.2
175.03972	0.8
175.07555	0.3
177.01886	0.4
179.05534	3.5
185.06020	0.3
186.06856	0.4
187.03903	1.1
187.07617	0.4
188.04747	0.2
189.05574	0.5
190.02757	0.4
191.03490	0.3
191.07227	0.2
192.04196	0.3
193.05054	0.4
201.05551	0.7
202.06375	1.2
203.07086	0.4
204.08136	0.2
205.01468	0.8
211.07581	0.3
211.13368	0.4
211.17024	0.5
213.18542	5.8
214.18970	0.6
215.07097	0.5
217.04945	0.3
218.02118	0.2
219.06595	0.3
220.07434	0.3
229.08763	0.3
229.82173	0.3
231.06610	0.5
245.08302	0.2
247.06256	0.2
274.08685	0.8
283.13440	0.2
291.08701	1.3
292.09589	0.9
303.12390	0.3
313.03625	0.3
316.13339	0.6
325.24258	0.2
325.27512	1.3
327.29068	0.3
333.13568	0.4
334.14407	0.7
341.27460	0.3
343.08316	0.6
343.28522	3.7
344.29254	0.5
367.28564	2.1
388.15414	0.5
405.15945	0.3
406.16400	0.7
409.29590	0.4
439.30585	0.7
469.31952	0.3
487.32794	16.1
488.33145	2.6
503.26004	0.2
505.33850	12.6
506.34213	1.9
529.24084	0.3
547.08929	0.8
547.21790	1.9
548.22906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77307	0.2
53.75323	0.2
55.01758	1.3
57.03326	1.4
58.00464	1.1
59.01252	100.0
60.01585	0.9
67.01763	0.2
68.99691	0.3
69.03332	0.6
69.57124	1.1
71.01255	25.9
72.01575	0.4
72.99176	1.7
73.02821	6.1
75.00735	0.4
80.66994	0.2
81.03339	0.3
83.01260	3.4
84.02036	0.3
85.02825	8.1
85.99979	0.3
86.03182	0.2
87.00758	4.6
89.02320	16.7
93.06977	1.1
95.01266	2.4
95.04895	0.2
97.02825	0.7
97.06466	0.4
98.20528	0.4
99.00745	2.2
99.92453	0.3
101.02325	19.6
102.02647	0.3
109.02777	0.3
110.82314	0.2
111.00762	1.1
111.04375	0.3
111.08058	1.7
112.01552	0.4
113.02335	13.4
114.02619	0.3
115.03842	0.3
115.91962	0.5
116.92767	1.3
118.84351	0.2
119.03391	7.6
121.02856	0.3
123.04368	0.3
124.01463	0.2
125.02342	1.3
129.01787	0.3
130.99727	0.5
131.03377	1.0
133.02844	0.2
133.06436	0.2
135.08047	1.0
137.02306	0.6
139.03897	0.3
143.02547	0.2
143.03416	2.2
146.03612	0.4
147.04402	1.2
148.05139	0.4
149.04414	0.5
149.05940	0.7
153.09059	0.2
159.02838	0.5
159.04311	0.4
161.02365	0.4
161.04475	5.4
161.05832	0.4
162.03123	0.3
162.04712	0.2
163.03879	0.4
172.05179	0.6
173.05934	0.7
174.03040	0.7
174.06653	0.2
175.03850	0.4
175.07445	0.3
177.01811	0.5
179.03270	0.2
179.05551	3.5
185.05882	0.7
186.06734	0.4
187.03949	1.4
187.07477	0.6
188.04533	0.6
189.05396	0.7
190.02544	0.3
191.03317	0.5
192.04013	0.4
193.04950	0.4
199.07521	0.3
201.05638	0.9
202.06316	1.2
203.06854	0.5
205.01360	0.9
209.11699	0.2
211.07581	0.3
211.13231	0.6
211.16943	0.9
213.05428	0.2
213.18552	5.3
214.18748	0.6
215.06905	0.6
217.04916	0.2
218.02119	0.4
219.02859	0.2
220.07266	0.3
229.04695	0.2
229.08553	0.4
230.05565	0.2
231.06477	0.5
245.04451	0.4
247.05956	0.4
263.05460	0.3
271.13376	0.2
273.07489	0.3
274.08224	0.6
291.08786	0.9
292.09409	0.9
311.21732	0.2
313.03372	0.4
316.12854	0.6
317.13446	0.2
325.27451	1.0
327.28818	0.4
333.13263	0.3
334.13879	0.8
343.07904	0.3
343.15103	0.4
343.28497	3.0
344.12299	0.3
344.28635	0.5
352.12537	0.2
355.28421	0.5
367.28485	1.9
368.28735	0.3
369.12915	0.3
369.29858	0.3
388.14777	0.6
405.15216	0.4
406.15967	0.5
439.29895	0.8
439.35199	0.2
451.50778	0.2
459.26370	0.2
469.31479	0.3
485.21500	0.4
487.32773	15.5
488.33054	3.4
505.33826	11.4
506.33954	1.9
547.07800	0.8
547.21283	2.6
547.30701	1.2
548.21014	0.6
548.29773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03331	1.6
58.00469	0.6
59.01254	100.0
60.01587	1.0
61.50883	0.2
61.98714	0.5
68.99693	0.2
69.03335	0.6
69.95036	0.8
71.01257	15.9
71.04895	0.2
72.01585	0.3
72.99173	1.0
73.02826	5.4
75.00755	0.6
81.03345	0.4
83.01264	4.4
85.02827	9.7
85.50970	0.2
85.99979	0.6
87.00760	3.2
87.04366	0.2
89.02321	3.4
91.80183	0.1
93.03332	0.5
93.06976	2.3
95.01266	2.1
97.02823	1.0
97.06490	0.3
99.00761	3.0
99.92467	0.5
101.02329	11.3
102.02688	0.2
105.03353	0.2
109.02855	0.3
111.00761	1.4
111.08059	0.7
112.01571	0.4
112.98751	0.1
113.02334	10.8
114.02667	0.2
115.03902	0.4
115.91956	0.6
116.91992	0.3
116.92748	2.8
117.92791	0.3
119.03391	0.8
119.04935	0.2
121.02799	1.1
123.04391	0.2
124.01591	0.3
125.02351	1.5
129.01805	0.3
130.99771	0.4
131.03416	0.2
132.02087	0.6
133.02850	0.7
134.03616	0.6
135.04419	2.9
136.04811	0.2
137.02364	0.7
139.03915	0.2
140.71439	0.2
141.01791	0.2
143.03404	2.0
143.10706	0.6
145.02884	0.6
146.03639	0.5
147.04436	1.4
148.05215	0.8
149.05980	1.0
159.02904	1.2
159.04433	0.7
160.01595	1.9
160.05211	0.3
161.02306	0.7
161.04475	5.8
161.05844	0.4
162.04721	0.2
163.00252	0.3
163.03925	0.6
171.10170	0.2
172.05179	0.5
173.04486	0.3
173.05978	0.6
174.03146	0.5
174.06731	0.2
175.03926	2.5
175.07471	0.2
176.01064	0.3
176.04407	0.3
177.01891	1.0
177.05411	0.2
178.02480	0.2
179.03328	0.5
179.05510	0.3
180.04028	0.2
183.04428	0.2
183.13705	0.2
185.06000	0.6
186.06741	0.4
187.03931	0.9
187.07549	0.4
188.04663	0.4
189.01862	0.2
189.05539	0.5
190.02599	0.5
191.03418	0.7
191.05420	0.2
192.04199	0.6
193.04916	0.8
197.05960	0.3
199.07594	0.2
200.04797	0.2
200.08383	0.2
201.05600	0.7
201.09164	0.3
202.02602	0.2
202.06303	0.9
203.07033	0.3
204.00563	0.4
205.01389	3.3
205.03304	0.2
207.02905	0.2
211.07617	0.2
211.13300	0.5
211.16974	0.4
213.05440	0.2
213.18556	2.6
214.18913	0.3
215.07053	0.7
216.07678	0.3
217.05016	0.3
218.02155	0.2
219.06528	0.4
227.03181	0.2
227.07222	0.2
228.07550	0.2
229.08667	0.3
231.06668	0.3
239.06929	0.2
242.05392	0.2
245.04492	0.4
247.06013	0.4
255.13905	0.2
255.19669	0.2
267.07166	0.2
271.13266	0.2
273.07742	0.4
274.08359	0.9
279.23456	0.1
291.08813	1.3
292.09521	0.9
297.15100	0.2
299.12781	1.4
300.13324	0.3
301.14468	0.3
313.03671	0.6
313.27673	0.2
315.16080	0.3
316.12930	0.3
317.13620	0.2
325.27426	0.4
328.05905	0.5
329.06281	0.4
329.13882	0.2
330.06714	0.2
333.13541	0.2
334.14270	0.4
336.08276	0.2
343.08203	1.2
343.11923	0.3
343.15677	0.3
343.28525	2.4
344.28891	0.2
356.06448	0.2
357.22845	4.0
357.27026	0.3
358.23169	0.4
359.14822	0.2
367.28375	0.2
369.13477	0.2
375.23865	5.7
376.24268	0.7
385.29504	0.2
387.14774	0.3
388.15381	0.8
405.15668	0.4
406.16284	0.8
413.28796	0.2
421.29309	0.2
427.30560	0.4
439.30612	0.4
449.10400	0.2
450.10513	0.3
451.30896	0.2
457.31833	0.4
469.31625	0.8
485.29507	0.2
487.32767	27.3
488.33112	5.0
503.09753	0.3
503.23764	0.2
505.33823	16.1
506.34113	2.7
547.08746	2.8
547.22955	2.3
547.33820	0.6
548.09149	0.5
548.25531	0.5
548.34705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.2
59.01252	16.3
71.01250	15.8
71.53230	2.3
72.99182	6.2
75.00745	13.9
81.03313	2.0
83.01249	2.2
85.02838	24.5
87.00770	7.6
89.02308	3.6
93.03365	1.8
95.01285	5.6
95.04913	6.9
97.06416	2.2
99.00780	9.1
99.04427	3.2
101.02313	3.1
103.00285	2.0
103.85504	1.9
109.02875	4.5
110.55617	1.8
111.00829	2.1
111.08064	3.2
113.02338	28.1
113.05978	6.5
117.01817	3.6
137.05965	2.0
164.45889	2.1
187.53207	2.1
191.05623	2.0
249.06117	29.3
267.07181	32.1
295.06207	2.4
297.13544	2.2
407.07230	2.3
407.12006	4.6
447.55249	2.1
501.20004	7.2
547.20398	100.0
548.20697	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	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.0
59.01244	5.3
62.03368	0.8
67.01751	1.2
71.01246	5.6
73.02816	1.4
75.00721	1.4
75.50428	0.9
78.27285	0.9
81.67402	0.9
85.02818	2.5
87.00737	2.7
89.02325	1.6
91.05385	1.8
93.03345	3.6
95.01264	2.7
95.04919	1.1
96.95877	1.0
97.06474	1.1
101.02317	2.2
107.04913	1.8
109.02811	7.4
111.04348	1.0
113.02332	1.9
119.04906	4.1
121.02863	4.8
121.03603	0.9
121.06431	1.2
122.03683	2.2
123.04423	21.6
125.02325	1.0
130.04143	0.8
131.04993	0.8
133.02850	1.3
135.04417	35.7
137.02347	4.2
137.05980	12.1
145.02837	2.3
146.03586	1.8
147.04391	4.3
148.01573	11.7
149.02371	6.2
149.05998	7.8
150.03110	4.0
151.03914	17.4
159.04439	2.5
161.02359	4.4
161.05922	1.0
162.03088	2.7
163.03922	53.0
164.04233	3.1
165.01825	2.5
165.05501	6.7
167.03404	6.5
172.05197	1.2
173.02258	1.5
173.04468	2.6
173.05988	2.7
174.03139	1.8
175.03922	5.1
175.07559	0.8
176.04590	2.4
177.05484	3.7
178.02583	1.1
179.01944	0.8
179.03432	12.8
181.05028	6.6
187.07619	2.5
188.04813	1.2
190.02661	2.4
191.03436	54.2
191.05379	3.1
192.02243	1.0
192.03862	3.9
193.05008	13.1
199.03931	2.4
200.04747	2.3
203.03413	5.3
203.07008	1.0
205.05038	4.2
205.08597	1.9
207.02919	6.3
208.03694	1.4
209.04497	100.0
210.04823	6.7
211.07707	1.7
213.05518	1.4
217.04947	1.6
217.08659	4.0
219.03049	1.9
220.03671	2.4
221.04507	31.9
222.04851	2.3
223.06184	1.1
227.03484	1.2
228.04195	2.7
229.08731	2.9
233.04480	2.3
235.06003	1.0
237.03949	1.2
239.05542	41.2
240.05936	3.3
247.09903	1.2
251.05595	6.9
257.08191	10.9
258.08667	1.5
267.07153	1.1
268.03732	1.2
275.05725	2.0
275.09235	4.0
281.06906	1.3
283.06055	2.0
284.03238	1.2
300.02792	3.2
311.07980	1.9
329.08783	3.7
337.77121	1.0
342.10663	1.2
343.07962	1.4
355.11734	1.0
391.11810	2.4
409.12781	5.3
410.12943	1.5
421.12704	1.3
427.13962	94.0
428.14380	14.9
439.13989	2.9
455.44641	1.0
457.15021	36.8
458.15472	6.1
469.15210	5.3
470.15186	1.1
493.15234	2.1
499.16110	1.5
511.16040	1.8
529.17255	2.5
530.16992	2.2
547.18134	14.5
547.25580	1.6
548.18719	4.4
548.30267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1465
Annotation	Molludistin 2''-O-xyloside
Peak:m/z	Relative Intensity
52.67525	0.9
55.67084	1.0
57.03304	1.1
59.01242	4.9
60.99166	0.9
69.25165	9.3
71.01237	3.8
73.18978	0.8
81.61499	0.9
85.02805	1.2
87.00731	3.3
88.98660	4.4
89.02305	1.8
91.40701	0.8
93.03310	2.3
96.06790	0.8
96.95895	1.7
98.19814	1.9
99.00758	1.5
101.02258	1.4
113.02301	1.5
117.31808	1.0
125.02383	1.1
133.02855	1.8
134.03571	1.6
137.02322	2.0
149.02364	1.2
149.05977	1.3
151.03914	1.3
153.42322	0.9
173.04478	1.7
181.04895	1.3
191.05519	2.5
191.84070	1.3
193.04990	1.9
195.21117	1.0
209.72401	1.0
210.47638	1.2
222.06711	1.5
223.07547	3.7
224.04680	1.7
239.07176	2.3
253.05035	2.4
266.05695	1.2
267.06616	100.0
267.68518	1.0
268.06921	9.5
277.04956	7.5
278.05359	1.1
293.04178	1.2
295.06110	81.9
296.06445	7.1
307.06055	2.8
325.07071	2.7
373.08981	1.1
547.14478	51.0
548.15021	7.4
571.51746	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	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11519	0.2
59.01252	12.0
69.22552	1.5
71.01253	2.6
72.99177	0.2
73.02818	0.5
73.84044	0.2
73.85669	0.2
77.03839	0.2
82.12186	0.2
83.01267	0.5
85.02828	1.6
87.00745	0.4
89.02313	1.2
93.03358	0.4
95.01244	0.3
97.02834	0.2
98.20514	0.3
99.00745	0.4
100.70492	0.2
101.02327	1.2
109.51505	0.1
113.02329	3.1
116.92738	0.2
119.03374	0.3
121.02845	100.0
122.03175	4.3
125.02338	0.2
137.02405	0.2
143.03424	0.4
147.04338	0.2
148.05112	0.2
149.05980	0.2
159.04422	0.2
161.04486	1.2
166.49792	0.2
205.01392	0.6
213.18439	0.3
291.08780	0.2
338.51093	0.2
343.08325	0.3
343.28659	0.2
349.20132	0.2
378.21277	0.2
383.13586	1.3
451.12280	0.2
487.32709	2.2
488.33383	0.3
505.33777	1.0
547.08954	0.5
547.22046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05567	0.3
59.01255	3.1
65.89509	0.3
66.75143	0.3
66.91824	0.3
69.39355	0.3
71.01253	3.5
72.99175	0.4
73.02808	1.3
83.01254	0.8
85.02834	1.8
87.00755	0.9
89.02308	0.6
89.03857	0.5
93.03327	1.6
95.01275	0.5
96.07035	0.3
99.00748	1.1
99.49175	0.3
101.02323	2.3
105.03340	0.7
113.02356	2.1
117.03357	6.0
118.03770	0.4
119.04919	52.6
120.05268	2.4
121.02812	0.8
125.02338	0.3
132.02042	0.8
133.02863	2.0
137.02315	0.8
143.03485	0.4
145.02859	18.6
146.03238	0.9
147.04422	0.5
149.02409	0.4
150.03181	0.5
151.03925	0.4
161.02388	1.1
161.04486	0.8
163.03925	100.0
164.04253	5.9
173.04472	0.9
176.01027	0.6
177.01839	5.8
179.03392	0.6
191.03456	0.5
204.00575	1.2
205.01367	14.1
206.01807	0.7
207.02975	1.2
254.02182	0.4
257.00934	0.4
269.10184	0.7
281.00760	0.4
283.02707	0.4
285.04041	0.8
299.02051	0.7
299.05530	0.4
310.00867	0.3
311.01819	0.5
313.03448	3.6
326.00546	0.8
327.01437	0.4
327.04913	0.5
328.05850	0.7
343.08249	2.5
373.26086	0.5
383.13531	0.8
401.14618	1.5
427.13956	1.6
457.14874	0.5
473.05225	0.3
489.04309	0.5
515.06317	0.4
517.04187	2.0
518.04462	0.5
547.08838	17.8
547.18127	4.5
547.31201	0.5
548.09326	4.3
548.18073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34755	0.5
55.01649	0.8
57.03220	2.3
57.03528	1.2
58.00396	0.6
59.01149	13.1
59.01482	3.2
67.01693	1.0
68.99585	1.3
69.03228	1.4
69.03563	0.7
71.01146	12.6
71.01586	2.2
72.99065	4.3
73.02703	1.9
73.03080	0.5
75.00637	10.7
75.01109	1.6
79.08972	0.6
83.01177	0.8
85.02701	14.9
85.03273	1.7
87.00639	5.7
89.02193	3.6
89.03732	1.1
91.03812	0.7
93.03214	1.5
95.01134	3.4
99.00626	8.2
101.02247	1.2
101.02884	0.6
103.00134	1.6
111.00703	0.7
113.02189	18.4
114.02530	0.9
115.00156	1.4
116.92611	1.7
117.01694	1.9
117.03204	1.6
121.02844	62.7
121.03654	3.6
121.04044	2.3
122.03161	2.9
125.02225	1.3
129.01694	1.5
132.02042	3.1
133.02867	4.6
133.04869	0.7
134.03641	20.7
134.04579	0.9
135.03860	0.9
137.02203	1.9
139.00194	0.6
146.48470	0.5
147.04312	1.1
148.05095	1.2
149.05830	2.5
157.01234	0.8
160.01576	13.7
161.02116	2.0
161.04347	0.7
167.03220	0.8
167.60637	0.6
172.05142	0.6
175.02304	2.7
175.03894	12.7
176.04121	0.7
177.01862	2.6
178.02568	0.8
187.07339	0.7
189.03801	1.1
193.05006	15.5
194.04993	0.7
194.49319	0.6
205.01334	2.7
231.04967	2.9
249.06120	30.6
250.06367	1.2
276.06302	0.7
291.08560	0.6
300.09113	0.6
313.03543	1.1
320.07138	0.5
343.08163	1.2
353.08752	1.8
354.41278	0.5
358.96878	0.6
363.10776	1.1
366.09302	1.4
371.09821	100.0
372.10135	9.7
381.11847	2.3
425.10962	9.2
426.11166	0.8
460.04822	0.6
487.32431	0.9
547.14966	21.0
547.21216	1.0
548.15173	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	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
59.89188	0.2
66.75185	0.2
68.71415	0.2
71.01260	1.1
71.52889	0.2
73.02810	0.3
80.08554	0.2
85.02804	0.3
85.71606	0.2
87.00711	0.3
89.02322	1.0
93.03333	0.2
99.00745	0.2
101.02312	0.7
108.02039	0.2
113.02303	0.4
123.04376	0.2
125.02338	0.2
131.03348	0.3
133.02809	0.2
137.02237	0.3
143.03348	0.3
147.43385	0.2
149.04434	0.6
152.01007	0.2
160.01433	0.2
163.03906	0.2
165.01791	0.3
173.04459	0.3
175.03987	0.2
193.04924	0.4
198.03101	0.4
205.01376	0.9
210.03165	0.8
213.05493	0.3
214.02577	0.4
216.32587	0.2
225.05592	1.0
226.02673	1.6
227.03117	0.3
229.01399	0.3
230.02077	0.3
239.03340	0.2
241.05022	0.6
242.02095	1.7
243.02788	0.3
245.04454	0.4
253.01231	0.3
254.02196	1.5
255.02972	0.5
257.04526	0.3
267.02975	0.3
268.03836	0.2
269.00833	0.6
269.04449	0.5
270.01660	4.4
271.02023	0.3
281.00906	0.5
282.01746	0.3
283.02496	1.2
284.03247	1.1
285.04028	8.2
286.04385	0.7
295.02359	0.4
297.00674	0.4
297.04077	2.1
298.01181	2.7
298.04391	0.3
299.02338	0.3
299.05646	1.9
300.06116	0.3
311.02188	0.2
311.05585	0.3
312.02786	1.1
313.03534	45.0
314.03912	4.1
327.05096	3.6
328.05859	16.4
329.06339	1.3
342.07407	2.4
343.08206	100.0
344.08551	11.0
373.25882	0.9
385.09134	2.0
427.14172	0.3
487.12500	4.8
488.13004	0.7
520.57080	0.2
547.08630	0.8
547.14752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52050	0.2
64.58103	0.2
69.38290	0.5
69.38702	1.5
71.36189	0.2
93.03340	0.5
98.19799	0.5
173.04456	1.1
198.03131	0.6
201.01953	0.5
202.02687	0.3
210.03224	1.3
211.03821	0.2
213.05475	0.6
214.02631	0.6
225.05499	1.4
226.02695	2.4
227.03339	0.8
229.01392	0.6
230.02090	0.6
239.03424	0.4
241.05020	0.7
242.02155	3.3
243.02606	0.3
245.04515	0.6
253.01494	0.6
254.02127	2.4
255.02805	0.6
267.02954	0.4
268.03589	0.4
269.04495	0.9
270.01691	8.2
270.04645	0.5
271.02185	0.8
281.00876	0.7
282.01636	0.7
283.02576	1.7
284.03259	1.3
285.04028	13.4
286.04407	1.5
295.02499	0.3
297.00766	0.4
297.03979	3.0
298.01230	3.9
298.04547	0.4
299.02039	0.4
299.05515	2.1
312.02792	0.9
313.03528	67.1
314.03873	7.3
327.05066	6.0
328.05853	25.7
329.06247	2.3
343.08200	100.0
344.08533	10.4
386.15125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88108	0.8
55.01753	1.6
57.03327	2.8
59.01252	20.1
69.03317	0.8
71.01254	19.2
72.39397	0.8
72.99177	4.1
73.02817	2.0
75.00745	17.0
83.01257	1.3
85.02824	21.5
87.00747	8.3
89.02310	4.2
89.03828	1.2
95.01278	5.6
99.00750	14.4
101.02330	2.0
103.00271	2.0
111.00797	1.0
113.02334	25.4
115.00292	2.2
117.01838	3.7
117.03354	4.3
119.04968	1.1
121.02846	100.0
122.03149	4.3
129.01846	2.5
132.02086	2.3
133.02855	3.9
134.03639	37.5
135.04074	1.4
137.02356	2.3
147.04424	1.3
147.50778	0.9
148.05193	1.8
149.05991	3.2
150.03209	1.0
160.01595	10.2
161.02350	1.4
163.03976	1.2
175.02409	2.6
175.03964	12.0
176.04211	1.0
177.01964	1.7
179.03445	1.2
193.03453	2.7
193.05000	22.6
194.05376	1.5
205.01292	2.0
207.02924	1.7
231.05087	2.2
243.78534	0.9
249.06068	8.3
250.06523	1.3
328.08124	1.0
341.17636	1.3
353.08743	2.4
363.10834	1.1
366.09586	1.2
371.09824	98.2
372.10156	10.9
381.11835	0.9
425.11023	3.8
529.13440	1.3
547.14764	43.4
548.15289	7.4
561.34387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.8
62.05361	0.4
65.00196	0.7
69.03306	0.4
71.01262	3.2
71.54495	0.6
72.99187	0.6
73.02824	0.9
76.49004	0.3
83.01263	1.2
85.02831	1.7
87.00745	2.0
89.02326	1.4
89.03841	3.8
91.01756	1.0
93.03338	0.8
95.01276	0.5
95.04873	0.6
99.00751	0.7
101.02291	2.3
104.02561	0.8
105.03327	1.7
108.02056	0.5
109.02825	2.4
112.45435	0.4
113.02334	2.8
116.92723	2.3
117.03356	1.2
119.01309	0.4
121.02847	2.8
122.40359	0.4
123.00781	0.5
123.04379	0.9
125.02322	0.4
132.02081	4.9
133.02855	11.0
135.04288	0.5
136.01567	0.4
137.02370	0.9
146.03693	0.4
147.00826	0.8
147.04405	0.8
148.01567	3.8
149.02328	0.5
151.03725	0.4
159.04401	0.6
161.02345	6.0
161.04482	0.7
162.03140	0.5
163.00267	3.8
163.03903	0.6
172.05225	0.4
173.04454	0.6
173.05844	0.5
174.03200	0.4
175.03970	0.6
175.07504	0.4
176.01070	9.5
177.01857	28.0
178.02174	1.0
181.88350	0.5
187.03937	0.5
187.07523	0.7
190.99753	2.4
191.03439	0.7
192.00517	0.9
193.04997	0.6
201.05539	0.8
202.06262	1.1
204.00587	17.9
204.02525	1.0
205.01363	100.0
206.01678	5.9
210.03383	0.4
211.13391	0.6
215.07089	0.6
216.07820	0.6
218.02281	0.4
218.99310	5.8
219.99963	1.9
224.04750	0.6
226.02600	1.0
231.06732	0.5
232.55885	0.4
239.03311	0.5
240.04321	0.6
242.02161	1.1
267.03024	0.9
268.03723	4.7
269.04227	0.6
270.01709	1.7
274.08575	0.5
283.06100	13.6
284.06390	1.4
285.03986	2.8
291.08636	1.2
292.09525	0.9
297.04034	1.0
298.01321	0.4
299.05536	1.1
313.03519	14.0
314.03818	1.2
316.13232	0.7
327.05042	1.3
328.05811	5.3
329.06314	0.9
343.08203	21.5
344.08636	2.6
387.14478	0.5
388.15173	0.6
405.15314	0.8
406.16321	1.1
426.12662	0.5
427.13318	0.5
487.32794	2.3
505.33783	0.7
517.04608	0.5
532.06995	0.5
547.08832	49.5
548.09143	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	547.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71225	1.1
69.71636	1.3
77.49790	0.4
81.03320	0.6
87.19028	0.4
89.03838	2.2
92.99742	0.4
93.03326	0.7
93.28762	0.5
100.84756	0.4
105.03315	3.0
123.04417	0.6
131.08679	0.4
132.02089	2.4
133.02853	7.4
134.03188	0.6
135.00896	0.5
149.02312	1.0
158.86655	0.4
160.01619	0.6
161.02342	2.9
162.02992	0.4
176.01079	2.6
177.01849	23.4
178.02196	1.2
198.03192	0.5
199.03943	0.6
201.01898	0.6
203.86046	0.4
204.00581	6.9
205.01364	62.5
206.01712	3.1
226.02682	0.8
227.03421	1.0
229.01366	1.1
231.02940	0.4
242.02243	0.9
253.01361	1.4
254.02071	0.5
255.02985	1.0
257.01047	1.0
269.01086	0.5
270.01733	1.8
271.02161	0.8
281.00912	0.8
282.01727	1.0
283.02594	0.9
285.03937	2.9
297.00430	0.4
298.01227	1.5
299.02026	1.8
310.01199	1.6
311.01978	0.6
313.03482	9.5
313.78555	0.4
314.03812	0.9
317.04614	0.5
326.00607	3.0
327.01364	1.7
327.04913	0.8
328.05798	3.7
343.08218	9.2
344.08569	1.1
345.04205	0.6
357.03967	0.6
358.05057	0.5
373.03452	0.6
384.02692	0.4
401.02676	0.5
402.03668	0.6
427.14090	0.4
429.02478	0.7
445.05515	1.1
473.04764	0.7
485.01096	0.8
489.04703	1.5
499.03256	0.5
507.66330	0.5
517.04144	5.6
518.04236	1.4
532.06567	1.5
547.08807	100.0
548.09137	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	547.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62219	0.3
55.22429	0.2
59.01248	1.9
59.98153	0.2
61.98709	0.3
62.02074	0.2
64.50335	0.3
68.99670	0.3
71.01252	1.1
76.98412	0.3
87.00764	1.3
89.02293	0.5
89.03865	0.3
93.03335	1.1
98.20560	0.7
99.00779	0.4
105.03380	0.5
107.13856	0.3
109.02841	0.7
111.04368	0.3
113.02367	0.6
119.04932	0.5
121.02838	1.1
123.04375	0.4
132.02049	1.1
133.02847	1.2
134.03592	0.3
135.00769	0.9
135.04398	0.4
137.02336	1.9
145.02849	0.5
147.04390	0.5
149.02333	0.9
150.03110	0.7
151.03873	0.7
160.01555	0.6
161.02400	2.0
162.03148	0.3
163.00288	0.7
163.03908	1.6
167.04962	0.3
171.04353	0.4
173.04446	0.6
173.05952	0.3
175.00322	0.3
175.03908	0.5
176.01060	1.1
177.01851	3.1
178.02415	0.3
179.03416	1.1
183.04355	0.4
189.01884	0.9
189.12746	0.3
190.99757	0.5
191.03484	0.4
193.04890	0.4
195.04530	0.3
198.03146	0.4
199.03853	0.4
201.01807	0.7
203.03410	0.4
204.00658	2.0
204.99434	0.4
205.01381	8.5
206.02002	0.6
207.02937	1.6
208.03653	0.3
209.04404	0.5
210.03117	0.3
211.03975	1.7
213.05534	0.3
215.03481	0.3
216.00604	0.3
217.01338	1.6
218.01718	0.3
218.05531	0.3
225.05595	0.4
226.02647	0.7
227.03473	1.2
229.01396	0.5
230.02040	0.3
237.04001	0.3
239.03419	0.7
242.02115	0.9
243.02931	0.3
244.00029	0.9
245.00903	2.6
251.12828	0.6
253.01332	0.6
254.02235	0.9
255.02992	1.5
256.03595	0.3
257.00854	0.3
257.04398	0.4
267.02930	1.2
270.01624	1.3
270.98993	0.4
281.00919	0.8
282.01712	1.0
283.02454	5.2
284.03043	0.6
285.03989	2.9
295.02460	0.4
295.11829	0.9
297.00467	0.3
298.01047	0.5
299.05380	0.4
301.05658	0.3
309.00330	0.5
310.01184	2.3
311.01981	11.6
312.02332	1.2
313.03528	6.9
314.03909	0.4
318.05109	0.3
326.00778	0.5
327.01660	0.5
327.05304	1.0
328.05371	2.0
337.00003	1.6
343.08206	6.4
344.08636	0.4
345.04114	0.3
346.04907	0.5
353.02817	0.4
357.03845	0.5
358.04691	0.5
361.03436	0.4
373.03003	0.4
374.04303	0.6
385.03336	0.4
386.04373	0.4
401.02859	0.5
402.03461	0.5
413.02887	0.4
417.06268	0.5
427.13971	1.5
428.01669	0.5
429.02133	0.5
430.03427	0.6
431.04080	0.4
445.05597	0.7
455.03882	0.5
457.14542	0.6
458.02911	0.9
461.05173	0.3
471.03735	0.7
473.05188	0.7
489.04684	4.5
490.04926	0.8
499.02927	1.6
500.03351	0.5
503.06375	1.4
503.10083	1.2
504.06592	0.4
514.05536	0.4
515.06018	0.6
517.04138	18.7
518.04407	3.2
519.09430	0.5
529.07623	0.4
531.05536	1.6
532.06903	1.7
533.06976	0.4
547.08832	100.0
548.09210	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	546.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28191	0.7
59.01253	1.5
61.98705	100.0
71.53588	1.0
78.95786	1.4
80.78375	0.8
80.96412	1.1
81.96806	0.8
94.80001	0.7
201.19562	0.8
343.08243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68576	0.3
53.80443	0.3
55.01767	0.3
57.03314	0.5
59.01250	15.7
65.00208	0.8
68.99682	0.3
69.03331	0.9
69.70213	1.7
69.70576	0.6
71.01252	3.8
72.99189	0.7
73.02822	1.2
78.95787	0.4
81.03365	0.4
83.01269	0.6
83.02391	0.4
85.02846	1.7
87.00760	2.1
89.02328	1.1
89.03841	3.4
91.01775	1.2
93.03322	2.1
95.01266	0.6
95.04910	0.4
95.34068	0.3
98.19867	0.4
99.00768	0.6
101.02332	1.6
104.02566	0.9
105.03339	2.6
107.01280	0.4
108.02058	0.9
109.02840	3.6
110.03172	0.4
111.00756	0.3
113.02332	1.7
116.92754	2.9
117.03343	1.4
119.01284	0.5
119.03413	0.7
119.04884	0.4
121.02853	0.8
123.00790	0.5
123.04406	1.1
125.02310	0.6
132.02068	6.5
133.02861	13.9
134.03403	0.3
135.04405	0.9
137.02333	3.6
143.03423	0.4
145.02838	0.8
146.03619	0.5
147.00801	1.0
147.04411	1.5
148.01559	4.2
148.05124	0.6
149.02342	0.9
149.05977	0.6
151.00352	0.3
159.04391	0.6
160.01593	0.6
161.02357	7.0
161.04485	0.8
161.05847	0.4
162.02768	0.4
163.00273	3.8
163.03899	1.1
165.01834	0.4
173.04495	0.7
173.05899	0.6
174.03067	0.4
174.06662	0.5
175.03893	0.7
176.01067	10.4
177.01851	30.0
178.02191	1.9
185.06013	0.4
187.03915	0.5
187.07494	0.5
189.05513	0.7
190.99724	1.8
191.03445	0.3
192.00574	0.8
195.53601	0.4
197.06035	0.4
198.03117	0.4
199.03844	0.4
200.04660	0.3
201.05528	0.9
201.09190	0.4
202.06316	0.5
204.00580	17.0
205.01364	100.0
206.01704	5.6
211.03828	0.4
212.04749	0.4
213.05551	0.4
215.07112	1.0
217.05013	0.5
218.99323	5.0
219.06549	0.5
220.00055	2.4
224.04764	0.5
225.05597	0.5
226.02708	0.7
227.03284	0.4
239.03584	1.0
240.04279	0.6
241.04926	0.4
242.02116	0.7
247.06192	0.5
252.04349	0.6
254.02223	0.5
267.03036	0.9
268.03781	11.0
269.04337	1.1
270.01688	2.4
271.02634	0.4
271.13431	0.5
273.07578	0.4
274.08456	0.9
283.06119	24.0
284.03488	0.6
284.06503	2.3
285.04031	2.9
286.04459	0.4
291.08719	1.6
292.09531	0.6
297.04041	1.4
298.01303	0.6
299.05472	1.0
311.12521	0.3
312.02774	0.5
313.03531	14.2
314.03879	1.3
325.07166	0.8
327.05035	1.4
328.05927	5.3
329.06082	0.9
334.14026	0.4
342.07224	0.4
343.08221	20.4
344.08502	2.1
359.15152	0.4
387.14822	0.4
388.15192	0.5
401.11023	0.4
405.15799	0.4
406.16476	0.7
409.11011	0.4
422.23611	0.3
426.13205	0.8
487.12344	0.4
487.32648	2.7
505.33801	1.4
517.04132	0.6
547.08813	39.5
547.22180	1.0
548.09192	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	545.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03321	1.9
57.12592	0.6
58.00457	1.5
58.41152	0.6
59.01250	18.1
60.61813	0.7
61.98697	0.6
62.26871	0.6
69.03323	0.6
71.01253	11.9
72.99184	1.2
73.02814	3.6
83.01269	1.3
83.04889	0.8
85.02820	3.5
87.00742	2.4
89.02317	11.0
91.03860	0.8
95.01286	1.2
95.76779	0.6
96.95897	1.6
97.02830	0.8
97.06463	0.8
99.00734	1.0
101.02328	12.1
109.06484	0.9
111.08036	15.5
112.08376	0.8
113.02322	4.8
119.03388	2.6
121.02839	0.8
127.07557	1.5
137.02344	1.7
143.03400	1.9
146.03583	0.9
147.04401	3.3
148.05185	1.8
149.05969	1.2
151.11163	1.1
153.12730	1.8
159.04350	1.1
161.04466	6.8
162.06604	0.7
169.12268	6.8
171.08173	0.7
171.10124	1.2
172.05161	2.3
172.08464	0.7
173.05847	1.8
174.03197	0.7
175.07440	0.9
179.05495	2.0
181.12228	2.0
183.13812	1.0
185.05972	1.1
186.06653	2.3
187.04024	0.9
187.07428	2.2
188.07912	2.2
189.08202	1.1
191.03497	0.8
192.04185	1.4
193.12302	1.2
197.11768	70.9
198.06456	0.7
198.12065	4.7
199.07588	2.2
199.13361	6.4
200.04655	1.0
200.08096	1.1
200.13651	0.7
201.05223	1.0
201.09294	4.0
201.20602	0.6
202.06145	1.2
202.09451	1.8
203.06795	1.4
203.09773	1.1
211.07545	1.1
211.13338	10.7
212.13628	1.5
214.06169	1.3
215.06979	3.9
215.10684	1.1
216.07416	2.3
217.07632	1.1
217.12140	0.7
227.12851	1.8
229.08626	2.6
230.08929	2.0
231.09277	1.1
243.10213	4.7
244.10733	4.2
245.08383	1.2
245.11038	2.7
246.08490	1.7
246.11504	0.8
253.09262	45.4
254.09569	2.9
263.20190	5.5
265.18079	1.1
270.05109	0.8
273.18533	1.1
281.14804	0.6
285.07654	1.7
286.08078	0.9
288.09918	1.3
289.10605	0.8
291.19675	26.8
292.19958	3.2
298.15311	0.9
299.15634	1.5
302.14896	0.8
309.20709	100.0
310.21048	10.8
316.16257	1.8
317.16577	1.4
329.13861	0.9
330.14456	0.7
331.14618	1.5
341.16650	1.2
358.17645	1.0
359.17856	1.8
360.18494	1.3
370.66333	0.7
386.00385	0.7
439.24509	0.8
457.25757	2.6
501.24371	2.8
527.22754	1.8
545.15558	1.2
545.23181	13.2
545.32538	2.6
546.23279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2397
Annotation	[2'S,3'R,7'R(R),9R,10S]-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.52372	1.2
57.03330	2.8
59.01247	4.5
61.98691	3.2
68.92034	1.1
69.27489	1.0
73.65556	1.1
78.07197	1.3
79.93995	1.1
87.00761	19.0
93.03355	1.2
95.04913	1.1
121.02858	6.3
121.06467	1.6
122.03634	17.2
123.04412	20.9
125.09635	2.8
125.51028	1.2
137.02348	3.9
139.03889	1.3
147.04468	6.6
148.04198	1.2
148.05246	8.2
149.05991	13.4
150.03104	1.6
163.03882	4.2
164.04677	4.1
165.05458	4.1
175.03995	1.5
192.04242	1.1
193.04968	3.9
215.07155	1.3
224.21730	1.1
241.12489	1.1
247.20627	1.6
285.15088	1.9
291.19647	29.2
292.19946	3.7
309.20673	1.4
338.08191	1.3
345.17023	1.5
381.19589	1.2
441.22635	1.5
444.01273	1.4
455.24130	1.5
483.24228	1.8
485.21661	9.8
486.21774	1.2
501.24863	1.7
509.21924	3.9
545.23932	100.0
546.24353	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	545.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	20.4
69.03326	9.8
71.01259	13.3
71.54360	2.7
72.02023	3.1
73.02806	2.6
75.00701	1.9
83.01254	2.1
85.02830	5.6
87.00751	10.1
89.02289	3.3
91.05399	2.2
95.01249	2.2
96.95873	2.6
97.02811	5.2
97.06431	1.9
99.00764	6.8
101.02356	2.7
108.02035	2.1
109.02857	4.4
113.02326	1.9
121.02866	8.8
125.02343	2.4
133.02823	3.1
133.06442	2.2
134.03569	2.4
135.04417	16.3
137.02336	9.7
139.03923	3.0
141.09097	5.4
141.68950	1.6
146.03651	5.5
147.04430	29.2
148.05110	7.5
149.02364	2.5
149.05965	5.4
150.03134	4.5
151.00192	2.7
153.09077	2.0
158.03603	2.4
159.04396	18.1
160.05151	6.7
161.04565	2.1
161.05946	5.8
163.00291	10.1
164.00983	3.9
165.01857	3.4
171.04463	2.1
172.05249	12.0
173.04483	5.0
173.05963	35.8
174.03120	6.7
174.06770	17.0
175.03911	6.0
175.05342	1.8
175.07515	3.3
177.01854	2.6
178.02655	5.4
183.07901	1.9
185.00894	12.2
185.05998	10.5
185.11572	2.0
186.06786	15.3
187.03961	5.1
187.07584	21.5
188.04723	3.5
188.08298	8.1
189.05501	2.9
189.09079	2.7
190.99791	4.7
191.03467	2.7
191.05379	2.4
192.04112	4.7
193.01366	6.8
193.04965	3.4
196.05196	2.3
197.06009	10.8
199.03851	3.8
199.07561	10.3
200.04630	2.7
200.08270	6.0
201.01845	3.3
201.05505	5.2
201.09207	15.4
201.10973	3.2
202.02272	2.0
202.09647	1.7
203.03413	2.4
203.07066	2.6
206.02107	6.8
209.06036	4.1
210.01617	4.5
210.06650	3.0
211.04071	3.4
211.07558	7.4
212.04565	2.3
213.05365	4.5
213.09119	4.9
214.06238	5.1
214.09956	2.7
215.03497	2.2
215.06982	5.2
215.10835	2.8
216.07712	2.4
218.05751	2.6
223.07616	4.4
224.08199	2.4
225.05589	3.8
225.09111	4.7
226.09738	2.3
227.07079	6.9
227.10672	3.8
228.11504	3.4
229.08586	4.1
229.12180	3.2
231.13817	2.9
239.07126	2.8
239.10698	2.7
240.08018	2.3
241.08603	3.8
241.12231	2.7
243.13875	2.5
245.08180	5.0
254.09534	2.6
257.15366	5.6
268.10876	2.2
271.13370	2.4
283.13419	10.6
284.13699	2.5
285.11575	2.1
285.14944	8.7
287.16748	2.5
289.14420	2.6
297.14993	42.2
298.15192	5.8
299.05640	4.2
299.16479	11.9
300.06354	8.0
301.14435	6.4
302.07901	1.9
303.15906	7.5
311.16626	12.1
313.10733	2.7
313.18018	12.5
314.11206	3.2
315.15979	26.7
316.16403	4.4
317.17584	19.5
318.17822	3.1
323.16559	2.2
327.04941	3.0
328.05905	20.6
329.14178	3.2
329.17569	12.3
331.19022	4.4
340.12262	3.7
341.12589	6.8
341.17407	3.3
357.16983	2.1
358.06567	3.9
359.14746	2.3
361.21912	2.1
379.22614	5.2
389.20987	3.9
397.23846	10.3
403.22940	3.9
407.22238	14.8
408.22818	3.8
421.23636	7.1
423.21872	5.4
425.12463	27.9
425.23288	12.2
426.12762	4.8
426.23514	3.1
427.21371	10.1
439.24826	20.5
440.25269	3.1
448.09924	5.4
451.20526	2.5
455.13318	5.7
457.19852	3.2
457.25946	41.4
458.26218	7.4
465.22717	3.3
467.20465	4.2
483.23691	8.2
484.24109	3.1
485.31345	2.1
495.20029	4.4
501.24982	27.2
502.25290	6.5
509.21573	2.8
513.20636	3.3
527.22821	27.2
528.23334	4.6
545.16388	27.8
545.23816	100.0
546.16797	6.7
546.24249	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	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.1
59.01252	12.1
67.01783	3.4
68.99705	5.1
69.03345	3.8
69.42567	11.5
69.49611	1.4
71.01250	21.3
71.01608	1.4
72.99200	1.8
73.02808	1.5
74.04694	1.4
75.00751	1.7
80.96402	7.2
81.03339	1.7
83.01277	2.2
83.04916	6.4
85.02823	16.2
85.48869	1.5
85.65325	1.4
87.00748	14.8
89.02304	3.1
91.03883	2.4
93.03364	4.2
94.38565	1.2
95.01259	4.1
95.04907	2.3
96.35799	1.2
97.02857	2.8
99.04413	1.6
109.02887	3.8
111.00803	3.2
111.04426	3.5
111.08036	2.7
113.02337	20.9
113.03072	1.7
116.99906	1.7
119.08574	1.4
120.41039	1.3
121.02868	1.7
121.06489	3.8
122.02406	1.9
123.08064	18.3
123.73454	1.4
124.05212	1.3
128.99066	1.6
129.01834	1.7
129.06993	1.3
137.09656	2.4
139.00343	2.2
139.07588	3.7
145.10167	2.5
151.07538	1.4
153.09167	2.0
157.01501	1.4
159.04419	2.2
169.10121	1.9
171.11707	16.7
172.12126	1.5
189.09201	2.1
189.12759	6.9
191.05527	2.1
201.12906	5.5
205.07170	2.5
207.13985	2.7
211.50085	1.4
219.03006	2.3
219.14056	1.6
225.00841	2.1
237.14935	20.6
249.06128	2.4
251.79913	1.3
263.07745	29.3
263.12918	2.2
264.08084	2.0
281.08856	32.4
281.13916	22.4
363.75708	1.4
513.19421	2.3
545.22546	100.0
546.22821	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	545.2403
Annotation	[7'R(S),9R,10S]-2',3'-Didehydro-7'-deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
52.86992	0.8
56.99322	0.9
57.03300	1.0
59.01255	11.5
61.98705	2.6
68.99675	3.9
71.01234	4.0
73.02805	0.8
75.00728	1.2
79.05368	1.4
84.62027	0.8
85.02798	3.2
87.00749	10.4
91.05412	8.7
92.36905	0.8
93.03341	1.1
95.04909	6.0
95.63102	0.8
97.06440	2.7
99.00732	1.4
101.02305	1.7
103.05429	4.3
105.03346	10.8
108.02071	4.6
112.76585	0.7
113.02281	2.4
113.09623	1.3
117.03349	1.0
119.04915	11.0
119.30179	0.8
121.02859	7.6
122.03582	2.2
123.04361	2.0
123.08084	1.0
125.09559	1.1
129.03305	2.4
130.04068	1.3
130.99704	1.5
133.02821	2.0
135.04379	1.1
137.02344	20.0
139.03912	5.6
145.02815	3.5
146.03665	6.1
147.04424	100.0
148.05219	20.5
149.05992	37.5
150.06239	2.5
154.02573	0.9
159.04359	1.9
163.03870	1.9
164.04613	1.5
165.12714	1.2
172.05115	2.6
173.05826	3.1
174.03093	1.0
174.06653	0.9
175.03854	1.1
181.12288	1.2
183.13824	1.1
185.05931	1.5
186.06670	2.6
187.07425	2.6
188.08063	1.7
189.08716	0.9
191.03442	8.2
192.04195	15.0
193.03386	1.4
193.05008	24.7
193.12228	1.1
194.05327	1.4
197.05978	1.7
198.06294	1.3
199.07596	1.9
200.04697	1.2
200.08290	1.0
201.09137	4.5
202.09497	2.0
203.03340	0.9
203.07051	0.9
207.02751	1.5
211.07314	1.0
211.13388	5.3
213.14926	1.0
215.06927	3.2
215.10707	1.4
216.07318	2.6
216.11235	1.4
217.01372	6.0
218.00160	1.6
218.02151	23.7
219.02672	2.9
224.03168	1.6
225.08961	1.1
227.10515	1.5
229.08615	1.9
229.43567	1.0
230.08998	2.0
231.09338	1.3
232.13748	0.9
236.03246	4.9
240.13509	1.1
243.10048	2.7
244.10599	2.2
245.08243	1.9
245.10753	1.2
246.08365	2.2
283.13312	1.2
291.19620	8.8
292.19955	1.3
294.21332	1.3
295.21909	1.0
299.15454	1.1
307.19278	7.3
308.19699	1.2
309.20697	27.1
310.20865	2.1
315.15738	2.0
317.16586	1.6
331.14517	1.2
341.16644	1.5
385.16254	1.0
435.82150	0.9
439.24689	1.7
447.16391	2.5
448.16357	1.0
457.25577	3.8
501.25131	5.7
527.22821	9.6
544.28302	1.3
545.23517	50.9
546.24017	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	545.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00446	0.4
59.01253	2.8
60.99184	1.0
62.32667	0.3
65.03825	0.4
67.01765	8.1
69.03348	2.1
69.03715	0.3
71.01251	4.1
73.02818	0.5
76.28768	0.4
80.90359	0.4
81.03326	1.6
83.04907	1.9
85.02825	2.8
87.00734	3.4
93.03337	47.4
94.03680	1.9
99.00755	1.2
99.04401	0.7
108.02014	0.4
109.02866	1.5
111.00738	1.2
111.04411	7.1
113.02335	0.6
115.03912	0.4
121.02858	0.5
125.02374	0.6
127.03889	1.2
137.02353	5.0
147.04407	0.4
147.46519	0.4
149.04520	0.4
155.03397	4.4
164.36719	0.4
167.03368	0.6
173.04474	100.0
174.03214	0.7
174.04791	4.4
187.07532	0.8
191.05539	23.5
192.04300	0.5
192.05959	1.1
207.08075	0.5
223.07690	0.5
239.07132	0.8
249.05524	0.7
251.07121	2.1
263.07184	1.3
264.07782	0.6
266.05566	0.5
267.06625	3.8
279.06726	2.9
282.08896	1.2
294.05356	1.7
294.08960	1.0
295.05963	1.2
297.11453	0.6
307.06155	0.5
309.07703	1.5
310.08423	0.7
322.08505	1.3
323.05743	3.0
323.09192	0.5
326.07977	1.5
338.07928	2.8
341.10355	4.1
342.10666	0.5
353.10330	9.4
354.10651	1.0
371.11334	2.7
425.12396	0.5
545.16602	1.8
546.16974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71165	0.3
59.01253	1.7
59.04935	0.4
61.98682	0.4
71.01247	3.9
71.40862	0.4
72.99169	0.6
73.02822	1.1
75.00786	0.3
85.02821	2.3
87.00740	1.0
89.02337	0.5
89.03867	1.1
93.03341	0.5
97.02805	0.4
99.00777	1.1
101.02324	2.6
106.04121	0.5
109.02885	0.4
111.00760	0.4
113.02328	2.0
117.03345	5.1
119.29081	0.3
132.02071	1.5
134.03633	65.4
135.03964	2.8
137.02344	2.0
149.02361	0.5
149.05986	6.2
149.07027	0.2
149.82758	0.3
160.01573	7.6
161.04459	1.3
175.03925	10.6
176.04266	0.5
178.02609	1.9
179.03217	0.5
193.04994	100.0
194.05309	5.6
237.09731	2.3
272.75162	0.4
279.10870	1.0
351.12930	0.9
353.06674	1.0
369.13956	2.0
369.65268	0.4
380.55164	0.4
437.30759	0.4
445.19641	0.4
496.82199	0.4
508.43179	0.4
545.18982	3.9
546.19159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.6
57.23388	0.7
59.01245	12.0
67.01750	1.1
68.99683	2.2
69.03309	2.2
71.01251	21.8
71.92037	0.6
72.94337	0.7
72.99184	6.2
73.02796	2.4
75.00745	14.9
80.96388	1.8
81.03328	0.8
83.01237	1.3
83.04884	1.8
85.02824	25.3
87.00750	8.4
89.02310	9.1
91.03864	0.9
93.03300	2.0
95.01287	4.9
95.04888	4.3
97.02827	1.0
98.03651	0.7
99.00751	9.1
100.07116	0.7
100.49100	0.7
101.02292	0.9
103.00239	2.3
109.02814	2.0
109.06462	1.0
111.00735	0.7
111.04417	3.6
112.01482	1.0
113.01530	1.5
113.02328	32.2
113.05959	6.7
114.02633	1.5
115.00233	1.7
115.03894	1.7
117.01807	3.1
121.06470	2.2
123.08025	2.4
127.43761	0.7
129.01826	2.0
131.03392	0.9
135.08080	1.0
137.05905	1.0
137.09596	0.8
139.07530	1.3
142.60381	0.7
149.04388	0.9
149.09589	1.8
163.04024	0.8
165.09058	1.5
171.11694	2.4
175.02368	2.1
189.09166	4.1
189.12785	18.7
190.13075	2.1
191.05528	1.1
207.04987	1.6
207.13797	2.1
231.04964	1.5
233.11552	0.9
233.97322	0.7
237.14726	1.7
249.06128	33.7
250.06355	2.4
251.10463	1.1
251.12881	14.4
263.07611	1.3
267.07202	63.3
268.07547	3.4
281.08606	1.8
281.13931	1.7
295.11926	3.7
302.78778	0.8
354.42279	0.9
409.73465	0.8
435.69696	0.8
455.14096	0.8
484.93320	0.9
527.17883	1.2
545.18689	100.0
546.19080	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42068	0.9
53.40470	0.9
55.01739	0.9
57.03316	1.5
58.40377	0.8
59.00956	1.4
59.01251	27.7
61.98695	2.3
65.00184	4.5
65.00491	0.8
66.86080	0.8
67.01745	1.0
68.45916	0.8
68.99670	1.4
69.03321	2.4
71.01252	21.9
71.53795	0.9
72.99164	2.6
73.02804	2.1
75.00742	1.4
79.01746	2.8
80.91536	1.4
81.03323	2.4
83.01255	5.2
85.02831	4.6
87.00755	11.4
89.02316	14.7
91.05405	0.9
93.03340	6.0
95.01248	4.0
96.95899	6.2
97.02840	6.7
99.00748	4.2
99.04380	1.3
101.02329	6.6
102.45490	1.0
105.03335	1.9
107.01253	3.8
108.02014	4.5
109.02827	8.9
110.03208	0.9
111.00732	0.9
113.02325	6.8
116.92718	1.1
119.03374	1.1
119.04934	2.0
121.02848	11.0
122.03665	5.1
122.31740	0.9
123.00773	2.2
123.04366	2.7
125.02348	12.4
130.99727	1.2
131.03392	1.7
132.02054	1.2
132.44228	1.0
133.02820	2.8
134.03630	10.0
135.00789	4.7
135.03435	2.0
135.04417	31.5
136.01556	9.4
136.04778	1.5
137.02351	11.8
138.03105	1.1
139.03906	3.1
145.02820	2.8
147.04405	9.2
148.05029	2.6
149.02348	4.9
149.04430	3.1
149.05948	3.7
150.03133	15.1
151.00262	7.2
151.03760	1.1
152.00981	1.5
153.01819	2.1
155.03371	1.7
155.04744	1.0
157.08603	1.1
158.03618	1.1
159.04341	3.1
160.01523	2.0
161.02292	3.9
162.02914	1.3
163.00267	24.4
163.03864	3.3
164.01108	6.1
165.01837	16.6
165.05432	1.1
166.02448	1.9
167.03365	1.9
171.04431	1.0
173.02356	1.3
173.04433	5.0
173.05878	2.2
174.03171	6.4
174.06549	1.2
175.03940	5.7
176.01021	2.1
176.04669	1.8
177.01839	7.2
178.02635	15.5
179.03398	4.6
180.04115	3.8
183.04439	1.2
185.05977	1.5
186.06631	2.0
187.03928	2.2
187.07504	1.7
188.04651	1.2
188.07416	0.8
189.01811	1.2
189.05475	1.9
189.99002	2.1
190.02536	2.2
190.98207	1.4
190.99796	15.1
191.03387	3.7
191.05525	3.6
192.00507	4.4
192.04114	2.2
193.01347	15.9
193.04980	4.7
197.05963	2.1
198.03125	2.1
198.06413	1.4
199.04001	6.6
199.07559	1.6
200.04620	1.6
200.08250	1.7
201.01816	6.5
201.05513	1.8
201.09187	1.7
202.99893	1.2
203.03517	2.0
203.06865	1.5
205.01358	4.7
206.00597	1.1
206.02180	13.2
207.02704	2.9
209.06039	1.1
209.11629	0.9
210.01631	14.2
211.03860	2.3
211.07500	1.4
211.13306	1.6
212.04797	1.0
212.07918	1.7
212.13631	1.7
213.05377	3.2
213.08972	2.6
214.06133	2.5
214.09535	1.4
215.03394	1.8
215.06825	2.4
216.04163	1.7
218.02110	3.3
219.02855	4.4
223.02254	1.1
225.09061	1.3
226.06261	1.5
227.03450	1.5
227.07037	2.1
228.04124	0.9
228.07629	1.0
229.05037	1.9
229.08434	2.8
231.06555	1.1
233.06587	3.2
236.03101	1.3
238.01170	3.4
239.03389	1.0
240.03889	2.2
240.07649	1.2
241.04921	2.8
241.08475	2.1
243.02864	1.5
251.16432	5.0
253.05058	1.7
253.08981	2.6
254.05672	2.1
255.02910	1.2
255.06401	3.1
256.07269	2.5
257.04276	3.9
258.05292	1.1
269.04550	2.6
269.07889	1.1
271.06036	2.3
273.10889	1.1
278.09271	1.0
281.04431	1.6
282.05301	2.7
283.02405	3.4
283.05911	2.1
284.02911	3.4
284.06638	1.5
285.03622	5.2
286.04446	3.1
287.05466	3.3
293.08792	6.8
298.04855	1.6
299.05630	7.8
300.06357	10.7
301.06967	2.7
301.10721	3.9
301.13974	1.2
309.20599	2.2
310.04630	2.0
311.05658	1.8
313.07443	1.2
327.05109	10.1
328.05865	53.2
329.06226	5.8
335.12726	1.3
340.05734	2.0
341.06723	0.9
341.13953	5.9
353.10248	2.0
357.06244	2.0
358.06940	17.4
363.96179	1.0
371.24493	1.8
383.11017	3.1
395.11139	1.3
407.11047	1.9
411.24835	1.1
413.22034	1.0
425.12424	100.0
426.12808	15.2
438.23758	1.6
439.23730	3.5
447.08975	2.2
448.10019	13.6
449.10098	1.6
455.13483	23.4
456.13766	2.9
456.24692	2.1
457.25201	4.8
467.13434	1.6
469.14197	1.3
483.22940	1.5
500.23633	1.3
501.23825	5.3
527.15308	2.7
527.22083	4.3
544.22455	2.6
545.16394	81.0
545.23438	7.5
546.16937	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	545.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	0.4
62.62405	0.4
69.03282	0.6
69.48792	2.5
69.90126	0.4
71.01234	0.9
74.75604	0.3
80.04857	0.4
81.03314	0.5
83.04896	2.3
85.02798	0.7
87.00731	1.3
93.03329	6.4
108.94229	0.4
109.02796	1.0
111.04404	4.6
117.03327	0.8
119.04895	0.4
121.02825	2.8
127.03882	0.7
129.01764	0.4
134.03627	0.9
135.04359	0.5
137.02283	0.9
145.02858	3.6
147.04364	1.2
149.05923	2.6
155.03413	5.4
156.03677	0.4
158.03581	0.4
160.05183	0.9
173.04477	12.9
173.05922	0.5
174.04712	0.5
191.05519	3.9
191.07149	0.6
192.04010	0.4
193.05003	2.6
195.08127	0.6
207.08026	1.8
209.05984	0.8
211.07549	1.5
219.02888	1.3
221.06029	1.7
222.06729	1.2
223.07622	2.4
224.04680	1.0
224.07932	0.4
225.05431	0.6
233.06047	0.9
234.06705	1.0
235.07729	2.3
237.05507	1.5
239.04854	0.4
239.07095	5.5
239.88362	0.3
240.07553	0.7
248.04771	0.9
249.05568	3.2
250.06297	2.0
251.07112	13.1
252.07628	1.9
261.05634	0.6
262.06296	1.5
263.07104	7.2
264.07825	2.5
265.05042	0.7
265.08582	1.4
266.05792	1.7
267.06607	23.1
268.06961	2.1
276.04218	0.4
277.05026	0.9
277.08627	0.8
278.05804	1.4
278.09421	0.7
279.06635	17.0
279.09720	0.6
280.07047	2.0
281.08179	1.1
282.08978	8.3
283.09433	1.4
288.19385	0.4
293.07990	0.8
294.05328	5.3
294.08960	5.3
295.06116	7.7
295.09229	0.8
296.06427	0.7
297.11255	3.1
306.05179	0.7
307.05847	3.3
308.06802	1.5
309.07623	7.0
309.10977	0.3
310.08389	3.0
311.05728	2.4
311.08636	0.6
312.05734	0.4
315.46118	0.4
321.07675	1.2
322.08472	5.7
323.05624	16.7
323.09103	2.5
324.06036	1.9
326.07983	6.3
327.08466	0.9
337.07257	0.8
338.07959	15.2
339.08179	1.7
341.10278	59.2
342.10645	6.7
353.10287	100.0
354.10611	12.2
364.39587	0.4
371.11279	6.2
372.11618	1.0
447.92889	0.4
501.14236	0.4
513.58203	0.4
515.15930	1.3
545.16718	16.3
546.17035	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	543.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.0
60.97084	0.6
69.88646	2.3
69.89043	1.0
75.32696	0.6
96.57558	0.5
104.29704	0.5
167.70914	0.6
172.20036	0.5
187.91568	0.5
209.11917	0.8
248.28404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68044	2.6
54.59259	2.7
59.01239	3.8
69.03340	4.6
69.26561	3.0
69.26702	4.1
69.27123	22.2
71.01241	3.1
73.57191	2.6
86.18462	2.6
88.27901	2.6
97.05857	2.6
97.06510	4.3
99.00823	3.3
101.02332	7.0
102.21660	2.6
113.02354	3.5
136.44917	2.7
139.00264	3.6
143.04868	3.6
146.03642	7.5
147.04425	7.8
149.05971	3.3
156.05701	5.4
159.04419	30.6
160.05067	5.2
161.05847	2.8
169.06638	4.1
171.04399	8.2
171.08064	12.0
172.05200	48.9
173.02344	7.3
173.05984	36.2
173.09610	4.0
173.81676	2.8
174.03117	7.0
174.06781	30.6
175.07545	9.7
185.05995	36.1
186.06815	34.8
187.03940	8.9
187.07558	50.4
188.08278	6.0
189.09105	4.4
191.03461	29.7
196.05179	14.4
197.06004	26.1
198.06769	4.9
199.03867	5.0
199.07603	35.3
200.04706	23.1
200.08369	18.5
201.05444	8.5
201.09155	91.9
202.06332	18.3
202.09500	7.3
203.06985	6.2
209.05981	4.5
210.06863	3.0
211.07626	29.8
211.13382	30.7
212.08154	4.0
213.05470	13.3
213.09097	6.8
214.06299	31.5
214.09662	3.9
215.07101	92.6
215.10527	22.1
216.07591	13.2
216.11221	4.1
218.05757	4.5
224.08244	3.7
225.09158	14.3
226.09848	13.6
227.07133	3.7
227.10625	7.4
228.07921	8.1
229.08665	58.5
230.09056	3.7
231.06633	9.7
232.03793	4.9
232.07329	4.4
241.05026	4.8
241.08536	3.6
241.12250	5.0
243.06511	4.3
243.10251	100.0
244.07365	3.5
244.10979	34.0
245.08168	28.7
245.10602	4.0
246.08485	3.9
255.13814	5.1
259.06110	5.2
269.15506	3.9
270.09015	5.7
271.13327	6.1
271.17087	2.9
283.13376	14.0
288.10095	18.8
288.13113	3.2
289.14484	4.0
295.13498	5.1
297.14963	58.2
298.15314	4.2
301.14496	23.4
302.15073	8.1
311.12906	20.2
311.16516	14.3
314.07898	10.0
314.15210	10.6
315.16025	79.1
316.16309	8.6
321.14838	4.7
325.14389	13.7
329.13959	71.4
329.17453	6.3
330.14365	7.5
330.18219	6.7
332.09122	7.3
332.12863	4.1
339.16025	37.0
340.16724	19.4
343.15387	15.6
345.13226	4.8
357.17056	32.0
358.17899	36.2
359.14929	9.9
384.15878	6.8
402.16809	5.3
425.19757	6.5
428.14786	4.7
437.23441	4.0
441.35086	2.9
455.24454	8.9
459.73438	3.2
481.22241	4.6
499.23212	11.9
543.22394	89.8
543.30768	5.9
544.22534	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03318	2.1
59.01254	47.9
68.41559	1.3
71.01255	21.2
72.99178	6.8
73.02806	2.8
75.00755	16.6
77.23312	1.2
83.01230	1.3
85.02824	26.1
87.00750	15.8
89.02312	8.0
93.03349	3.1
95.01262	7.8
99.00780	13.6
99.04416	4.3
101.02325	2.3
103.00248	3.1
108.02087	2.2
109.02827	2.0
111.04354	1.4
113.02336	33.8
115.00247	3.1
117.01852	3.9
117.03355	4.3
117.05474	29.7
119.04917	4.0
121.02842	2.4
123.04404	1.7
129.01836	2.0
130.32516	1.4
131.03380	1.3
132.02071	2.0
133.02872	4.0
134.03642	53.0
135.04398	2.0
136.01552	1.2
137.02338	3.5
147.04388	3.0
149.02347	1.6
149.04362	1.6
149.06013	7.2
151.03868	1.5
153.01767	1.5
160.01561	9.0
161.02310	3.2
161.05916	1.1
163.03918	3.3
173.04480	1.9
174.57800	1.2
175.02390	4.7
175.03937	13.3
177.01851	2.9
179.03453	2.6
193.03461	2.8
193.04994	37.0
194.05373	1.9
201.68269	1.3
214.02600	1.4
219.02994	1.8
229.67438	1.5
231.05043	1.9
249.06149	17.3
251.11241	1.5
255.02953	1.8
267.07172	11.7
271.02606	1.6
284.03064	1.3
309.08298	20.2
349.11536	6.8
353.75134	1.4
366.09872	1.6
367.12445	81.9
368.12839	5.1
381.10599	2.2
425.10919	6.4
443.11823	12.9
485.13055	8.9
525.15973	9.4
543.17145	100.0
544.17505	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	543.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.4
61.98701	0.4
71.01250	4.3
71.54456	0.5
72.99187	0.8
73.02824	2.0
74.87965	0.4
82.36842	0.3
83.00440	0.3
83.01292	0.5
85.02834	2.4
85.03267	0.4
87.00748	1.7
87.28773	0.3
89.02280	1.7
89.03864	1.1
93.03345	0.6
95.01253	0.5
96.95881	0.8
97.02840	0.6
99.00799	0.9
101.02328	3.4
106.04124	0.6
109.02830	0.4
111.04400	0.4
113.02345	2.2
117.03339	4.1
119.04922	0.5
119.58679	0.3
121.02834	0.7
125.02348	0.5
132.02057	2.6
134.03632	72.6
135.00752	0.7
135.03896	2.8
137.02364	1.1
147.04469	0.6
148.05141	0.4
149.06003	6.7
150.06291	0.4
153.01836	0.5
160.01579	9.0
161.02290	0.6
161.04477	0.7
163.03833	0.6
173.04454	1.6
173.05814	0.5
175.03935	11.7
176.04303	0.4
178.02649	1.1
187.03915	0.7
191.05484	0.7
193.04991	100.0
194.05304	5.6
200.08458	0.4
211.03857	1.0
211.05847	0.4
218.92787	0.4
225.09096	0.6
227.03381	0.7
235.11777	2.1
239.03352	0.6
240.04189	0.5
241.12440	0.4
243.10329	0.4
255.02925	5.5
256.03500	0.5
269.11743	0.5
283.02469	6.4
284.03256	7.1
285.03510	0.6
339.12302	0.6
349.09207	1.1
349.14954	0.8
350.15140	0.4
356.12555	0.5
367.10446	0.7
367.16016	1.6
381.09802	5.6
382.10248	1.0
411.21735	0.8
428.09515	0.6
437.22867	0.7
455.24304	1.1
456.24707	0.6
481.21936	0.6
499.22983	1.8
500.23105	0.5
525.15808	1.0
543.14105	7.8
543.22412	3.1
544.15094	1.4
544.21759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.01255	3.8
59.75909	0.3
60.99165	0.6
61.98690	0.4
64.82130	0.3
65.03831	0.8
65.62750	0.3
67.01758	3.1
69.03334	1.1
71.01256	3.4
81.03316	0.7
83.01276	0.4
83.04895	1.2
85.02801	1.4
87.00761	1.6
89.02346	0.3
89.03848	1.4
93.03337	48.4
94.03692	1.9
94.09434	0.3
97.06496	0.3
97.30672	0.3
99.00742	0.6
99.04401	0.4
101.02308	0.6
105.03363	0.4
108.02058	0.6
109.02843	1.8
111.00777	0.9
111.04402	4.2
112.54047	0.3
113.02320	0.9
115.03928	0.3
117.03349	5.5
118.03679	0.3
121.02829	1.8
123.04485	0.4
127.03891	0.5
129.01804	0.3
132.02063	1.1
133.02913	1.5
134.03633	58.3
135.00793	0.5
135.03906	2.2
137.02345	34.1
138.02687	0.8
147.04385	0.5
149.05997	5.7
150.06297	0.3
153.01862	0.4
155.03418	9.6
159.04453	0.3
160.01570	5.7
161.02193	0.6
163.03929	0.4
165.48837	0.3
173.04474	100.0
174.03421	0.4
174.04819	3.1
175.03925	5.9
175.05313	0.5
176.04324	0.4
177.01917	0.4
178.02617	2.2
179.03395	0.3
187.07600	0.3
191.04065	0.4
191.05534	2.3
193.04994	46.2
194.05333	3.2
199.07693	0.3
200.04770	0.3
201.09111	0.4
203.11200	0.3
211.03946	1.0
211.13319	0.4
223.99413	0.3
225.09317	0.5
226.09753	0.3
227.03406	0.9
227.10817	0.4
237.01990	0.6
239.03458	0.7
239.10742	0.4
240.04118	0.6
243.10255	0.3
255.02933	4.6
256.03470	0.7
265.01480	0.4
266.02094	0.4
269.11981	0.4
283.02475	6.5
283.13342	0.3
284.03259	5.7
285.03717	0.6
297.14832	0.4
334.07010	0.6
349.09290	15.1
350.09833	1.4
367.10330	31.9
368.10596	3.9
381.09885	3.2
382.10120	0.4
384.59967	0.3
393.20660	0.5
409.23822	0.5
411.21851	0.9
423.93137	0.3
431.57172	0.4
437.23352	1.4
438.23618	0.3
445.07700	0.9
446.08508	0.4
455.24442	1.6
481.22906	0.4
499.23529	2.2
543.15143	4.6
543.22388	1.5
544.15979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20651	0.6
57.03321	1.9
59.01255	17.0
67.01774	1.4
68.99665	0.8
69.03317	2.7
71.01252	12.3
71.03314	1.7
72.97644	0.7
72.99171	4.4
73.00581	1.0
73.02811	2.6
75.00749	12.9
83.01276	1.0
84.55463	0.7
85.02824	15.6
85.66786	0.6
87.00756	5.6
89.02336	4.0
93.03353	1.7
95.01272	4.8
97.02837	1.0
97.06492	0.9
99.00159	1.0
99.00760	9.4
101.02325	2.2
103.00243	1.9
109.02843	0.8
111.00737	1.3
113.02332	17.3
115.00262	1.5
117.01824	2.1
117.03352	9.0
119.04923	13.8
121.02827	1.0
124.07284	0.7
129.01776	1.0
135.04401	1.8
137.02351	1.3
145.02863	29.1
146.03273	1.2
147.04427	46.0
148.04756	2.5
149.05991	0.9
159.04401	4.0
160.05148	0.9
163.03946	14.0
164.04248	0.7
171.04358	0.8
172.05235	2.4
173.05988	3.7
174.06821	1.3
175.02402	1.8
183.86412	0.7
185.05977	2.3
186.06737	2.0
187.03851	1.1
187.07512	3.8
191.03418	2.8
193.03452	1.1
196.05237	0.9
197.05997	2.3
198.06677	0.8
199.03912	0.9
199.07578	2.9
200.04715	2.2
200.08203	1.8
201.05431	2.4
201.09160	4.9
202.06300	1.1
203.07022	1.0
211.07581	2.3
211.13362	1.5
213.05542	1.4
213.09039	1.1
214.06294	2.2
215.07173	4.8
215.10721	1.4
216.07777	0.9
223.07610	1.0
225.09143	1.8
227.07140	1.6
229.08534	3.9
231.05115	2.0
241.08705	1.2
243.10239	3.0
244.11035	2.0
245.08237	0.8
249.06151	17.3
261.07666	0.9
269.11523	0.7
283.13416	2.6
289.18152	2.6
297.14957	2.9
301.10950	1.2
301.14392	1.7
311.13147	1.1
311.16757	0.8
315.16025	3.6
321.15073	0.8
325.14514	1.1
329.13956	3.5
329.17517	1.4
339.15964	5.5
340.16467	1.7
343.15570	1.1
351.10715	1.3
357.17084	4.3
358.17908	3.3
379.10516	1.5
380.05618	0.8
390.09021	0.8
395.09818	5.3
397.11389	100.0
398.11780	11.0
406.29608	0.8
409.23691	0.9
411.22049	0.8
419.22244	0.9
425.19690	0.9
427.25082	1.3
437.23706	1.5
447.54968	0.8
453.23059	1.1
455.24191	3.5
456.24673	0.9
481.22537	1.4
497.22504	1.1
499.23373	2.6
525.21411	2.2
543.15009	17.1
543.22522	12.2
544.15314	3.4
544.22931	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	543.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46703	0.5
54.13245	0.5
54.26438	0.6
55.01759	1.3
57.03319	2.1
59.01250	12.4
60.22581	0.5
61.52245	0.6
61.98734	0.6
67.27626	0.6
68.99701	0.7
69.03321	1.1
71.01258	12.8
72.99179	5.4
73.02818	1.5
75.00747	12.1
83.01241	1.3
85.02828	13.6
87.00750	6.5
89.02317	3.0
90.47639	0.6
95.01275	3.9
97.02850	1.4
99.00757	8.3
101.02323	1.8
103.00262	2.2
113.02331	18.0
115.00238	1.2
117.01838	1.7
117.03354	6.0
119.04921	17.0
120.05264	1.3
121.02863	1.4
129.01801	0.9
134.03552	0.7
135.71078	0.6
137.02284	1.2
139.00217	0.9
145.02858	20.1
146.03220	0.8
147.04422	51.0
148.04811	2.3
153.37131	0.7
159.04401	1.7
163.03906	14.3
164.04390	0.6
171.10272	1.0
172.05235	0.9
173.05977	2.3
174.06776	0.9
175.02399	2.2
185.06064	1.8
186.06845	1.3
187.07561	2.5
191.03465	1.5
191.05513	0.7
193.03474	2.6
197.05984	1.3
199.07507	2.1
200.04807	0.9
200.08339	1.6
201.05547	1.3
201.09140	2.5
203.07030	0.6
211.07628	1.3
211.13330	1.2
213.09209	0.9
214.06331	1.0
215.07056	2.6
225.09093	0.9
226.09996	0.7
227.07191	0.7
227.10765	0.9
228.07938	0.9
229.08626	2.0
231.05017	1.6
238.22711	0.7
239.06950	0.7
240.07892	0.7
243.10216	2.6
244.11076	1.1
245.08014	0.9
249.06158	7.2
258.26877	0.6
261.07693	0.7
269.11722	1.0
283.13354	0.8
297.15018	2.2
301.14352	1.1
311.12830	0.9
315.15964	2.3
329.13928	2.2
333.09796	1.0
339.15982	1.3
340.17032	0.8
351.11002	1.1
357.16965	1.6
358.17596	1.6
367.11826	1.3
379.10425	2.8
395.09857	3.1
397.11392	100.0
398.11774	11.7
409.24170	0.8
411.21854	1.1
425.20197	0.9
427.25095	0.8
437.23117	2.0
455.24359	3.4
481.22318	2.0
499.16907	0.6
499.23376	3.0
525.21106	1.9
543.15063	15.4
543.22485	7.9
544.15204	3.0
544.22644	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85826	0.6
59.01252	5.8
68.99680	0.6
71.01249	1.7
71.41353	1.2
73.02805	1.0
75.00708	0.6
79.05407	0.6
79.66420	0.6
81.16516	0.6
85.02838	1.1
87.00754	100.0
88.01091	1.5
89.02306	1.2
91.05400	1.3
93.03333	2.9
95.04907	1.2
101.02296	0.8
103.05408	1.1
105.01797	0.9
105.03333	2.3
119.04929	3.0
121.02850	8.1
122.03638	6.1
123.04406	1.6
129.03343	0.7
130.99762	60.4
132.00066	1.0
133.02850	1.1
135.04420	1.4
137.02342	4.3
139.03903	0.7
145.02849	1.4
147.03291	1.4
147.04419	17.6
148.05193	3.8
149.02348	0.9
149.05980	2.3
152.00937	0.8
154.02669	1.0
161.02339	1.5
163.03934	3.5
164.04706	1.2
165.05458	1.1
167.03415	1.5
175.03998	1.0
175.51778	0.7
177.01772	0.7
183.13805	1.0
191.03436	4.0
192.04219	3.5
193.04965	1.8
193.12366	1.0
211.13335	16.1
212.13698	1.3
218.02176	1.6
236.03146	1.1
254.04298	55.4
255.04643	5.0
269.08127	0.9
287.16486	1.9
297.07614	4.2
297.15167	1.6
298.07944	1.1
315.16022	2.4
327.08548	1.1
341.17722	1.0
417.11951	2.6
454.76047	0.8
461.18042	0.8
479.18875	1.5
495.21854	0.8
521.20117	3.7
539.21344	44.2
540.21564	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.0
61.98687	2.2
71.01254	3.8
73.02822	3.5
75.00747	0.9
75.98321	0.6
83.01255	1.4
87.00750	100.0
88.01099	1.6
89.02342	1.4
91.05389	1.0
99.04408	3.7
101.02351	3.3
105.03368	1.2
113.02342	1.7
113.25194	0.7
119.04907	0.9
121.02848	3.0
122.03613	2.7
123.04439	1.0
130.99762	68.1
132.00003	1.1
132.68130	0.6
133.02890	1.1
134.03667	1.7
135.04332	1.1
137.02402	3.5
139.03923	1.0
146.03551	0.8
147.04465	6.8
148.05214	2.3
149.02287	0.8
149.05960	1.6
153.32245	0.6
153.45982	0.8
154.02832	0.7
154.04028	0.7
159.04424	0.9
160.91115	0.8
162.03127	0.8
163.03899	1.3
163.71596	0.7
172.05190	0.8
191.03378	1.5
192.04262	1.6
193.04979	2.7
197.05791	0.7
211.13326	5.7
216.62457	0.9
254.04300	52.5
255.04636	3.7
287.16632	0.8
297.14990	2.5
315.16025	2.4
317.21320	0.9
323.16196	0.9
454.61517	0.7
461.17868	0.9
462.56256	0.6
479.19067	1.2
521.20319	2.5
539.21368	29.2
539.28815	3.7
540.21747	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88336	0.7
59.01250	13.2
59.93491	0.6
61.98709	2.0
64.37457	0.7
65.65078	0.8
71.01251	4.7
71.54533	0.8
73.02813	3.3
75.00755	4.4
79.81363	0.8
83.01252	1.6
85.02827	1.7
87.00751	100.0
88.01091	1.5
89.02315	2.0
89.66754	0.6
93.03316	1.3
99.04389	6.9
101.02338	3.4
102.93973	0.7
105.03331	1.0
107.13959	0.8
108.02013	0.8
109.02843	0.8
113.02322	1.8
119.03375	1.0
121.02854	3.7
122.03627	2.7
130.99759	62.5
132.00542	0.9
133.02824	1.0
134.03638	0.9
135.04443	2.8
135.13019	0.8
137.02351	2.3
139.03880	1.0
147.04413	8.4
148.05162	2.4
149.02399	0.9
149.05986	2.3
149.68015	0.7
150.45772	0.7
159.04391	1.0
162.03146	1.0
163.03903	2.3
165.05426	0.9
172.05260	0.8
173.04491	0.9
175.03963	1.0
191.03458	2.1
192.04137	2.1
193.04955	2.2
211.13377	6.4
218.77754	0.7
254.04291	50.3
255.04683	3.6
258.02365	0.8
287.16644	2.1
297.15039	2.1
301.10690	1.5
315.15930	3.1
317.21286	1.4
333.17181	1.5
398.06848	0.9
480.55478	0.8
521.20148	2.6
539.21277	28.5
539.28717	5.6
540.21637	5.2
540.28967	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	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82225	0.7
57.03313	1.5
59.01249	13.0
61.98705	0.9
69.03314	0.9
69.37444	3.4
69.37874	2.6
71.00909	0.6
71.01254	6.3
73.02801	2.4
81.03328	2.2
83.01241	1.3
85.02838	5.1
87.00747	16.8
89.02303	1.2
93.03312	2.9
95.01270	3.7
98.19774	1.5
98.72369	0.7
99.00751	2.0
101.02293	3.3
108.02054	50.2
109.02850	49.9
110.03138	2.4
110.50648	0.8
111.00793	0.9
113.02318	4.9
119.04919	1.0
119.08515	1.4
121.02800	2.4
121.06445	1.0
123.00741	3.0
123.04391	2.2
125.02290	1.4
130.99756	7.3
134.03601	2.1
135.04398	1.9
135.08038	1.1
137.02307	2.7
137.09628	6.1
138.06477	0.7
139.03908	0.9
145.02821	1.8
146.03581	1.0
147.04367	3.4
148.05104	1.2
149.05936	3.2
151.00261	1.2
151.03908	1.4
152.01057	69.1
153.01846	37.7
153.09027	1.0
154.02153	1.3
159.04341	1.2
161.04457	1.4
161.09564	1.2
162.03043	1.1
163.03819	2.4
163.07509	2.4
165.01823	1.2
173.04414	2.1
173.05876	0.9
175.03816	1.8
179.10646	1.4
181.08536	3.1
187.03903	1.2
191.03299	1.6
191.05479	2.0
193.04967	1.9
211.13150	0.8
254.04224	5.2
255.02649	1.2
267.06900	0.9
295.06085	1.1
297.14682	1.9
300.02582	1.5
315.07162	5.6
315.15741	2.4
323.16318	1.1
325.14307	0.9
333.09888	0.9
341.17209	1.2
343.08099	1.3
391.26758	0.9
477.17441	2.8
479.15271	3.3
495.18887	4.0
521.20093	1.5
539.17462	100.0
540.17755	19.4
560.26184	0.9
569.13959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47390	2.4
53.11044	2.3
53.29497	2.2
59.01253	100.0
60.84148	2.2
69.52968	16.2
71.01233	2.4
74.36213	2.3
98.20525	5.0
101.84827	2.3
127.76417	1.9
127.77476	2.1
171.10182	12.0
211.13290	3.4
249.14888	6.1
459.27557	8.0
477.28632	10.5
478.28940	3.9
514.32935	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	535.3123
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
54.48492	0.3
55.01738	0.7
57.03317	1.1
58.00450	0.4
59.01252	18.5
69.03342	0.5
70.08116	1.8
71.01254	11.4
72.99180	1.3
73.02821	2.4
75.00742	3.0
83.01256	1.5
85.02818	4.4
87.00761	2.8
89.02317	4.6
93.03329	1.1
95.01279	1.0
97.06467	0.4
99.00752	1.2
101.02329	6.1
109.02773	0.4
110.02385	0.6
111.00792	0.8
113.02335	3.7
117.03332	2.0
119.03387	0.9
119.04929	1.8
121.02840	1.9
123.04474	0.4
123.07996	0.7
125.02334	1.2
125.09616	0.9
127.11164	0.9
128.01067	0.5
134.03673	0.4
135.00807	0.5
135.04367	0.4
137.02322	1.7
137.09639	0.7
141.09114	0.5
143.03510	0.4
145.02855	6.5
146.03165	0.6
147.04420	1.1
149.02350	1.1
149.05962	1.0
149.94644	0.4
151.03906	0.9
153.01802	0.5
153.56062	0.4
155.10835	0.4
163.03973	2.2
164.04716	0.6
165.01852	0.5
165.05443	0.5
171.10179	5.0
177.01820	0.6
187.07520	0.4
188.04559	0.5
193.05049	0.9
201.05467	0.6
209.11765	0.7
231.99767	0.4
241.10751	0.4
271.19305	0.5
271.73120	0.4
301.07053	0.4
302.51743	0.3
306.92468	0.4
311.16556	0.9
316.09549	1.8
316.78564	0.4
327.21777	0.5
331.06461	1.1
331.11902	1.6
331.25031	0.6
332.12030	0.4
355.24872	4.0
356.25583	0.4
373.25919	12.6
374.26315	1.5
391.19641	0.5
392.20740	0.5
461.09219	0.4
462.73727	0.5
475.29166	0.8
491.13214	1.0
491.19583	0.9
517.17145	0.6
517.30536	2.1
535.31287	100.0
536.31714	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80161	1.3
56.29522	1.3
57.29505	1.3
59.01252	54.2
61.98705	100.0
66.78300	1.2
69.35767	10.0
70.30438	1.3
71.01257	8.0
72.99193	1.5
73.02805	2.8
75.00761	1.5
81.03307	1.6
85.02827	3.9
87.00762	5.0
89.02308	3.7
97.06460	1.6
99.00777	1.8
101.02337	4.6
101.35096	1.3
108.02036	2.0
109.02850	3.5
109.60110	1.2
110.35548	1.2
113.02323	2.6
119.04892	1.7
122.03597	1.4
123.04385	4.5
123.08069	1.7
125.02369	2.5
133.02963	1.2
145.02785	1.4
147.04395	5.6
149.05995	8.1
151.00299	4.6
152.01051	3.3
159.04439	2.4
161.02339	1.6
161.04471	2.0
161.05971	6.3
163.03877	6.0
163.05061	1.3
163.11229	1.6
167.03413	10.6
167.10680	1.4
171.04422	3.3
172.05161	2.1
174.03125	4.1
175.03868	2.4
185.05971	3.2
185.11739	3.5
187.03891	2.7
187.07516	5.4
188.04735	5.8
189.05511	13.9
189.12730	2.1
193.05013	6.0
203.07077	6.6
207.13844	3.9
225.14908	2.8
243.51627	1.5
272.03250	1.7
273.03915	2.3
339.15906	9.6
341.10773	1.3
357.17014	6.3
389.25467	3.4
429.21277	2.2
431.20850	3.1
493.21069	2.4
499.86603	1.5
519.19464	1.6
536.27966	1.9
537.22498	18.9
537.31982	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	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03328	2.4
57.09365	1.6
59.01254	54.8
61.98697	3.6
68.99704	1.9
71.01252	21.2
71.53767	2.2
72.99190	2.2
73.02832	7.6
83.01310	3.1
85.02826	7.2
87.00746	14.7
89.02305	3.7
91.03488	1.6
91.05385	1.9
93.03333	3.3
95.01254	2.1
96.95872	1.9
97.02844	2.2
101.02312	10.7
107.98495	1.9
108.02061	2.4
109.02850	3.7
113.02360	5.0
121.02856	6.5
124.01600	3.2
125.02336	3.1
130.99826	1.9
133.02789	2.9
134.03645	4.7
135.04433	10.4
137.02345	8.1
145.02872	2.9
146.21095	1.6
147.04425	10.1
148.05096	2.4
149.05974	6.6
152.86487	1.7
159.04390	2.1
161.02312	2.9
162.75882	1.7
163.03906	4.1
173.05981	2.4
177.01849	3.8
183.13821	1.9
188.04836	1.8
191.03374	2.0
192.04224	3.4
193.04945	3.4
196.82353	1.7
209.11508	1.7
211.13283	2.1
225.11327	2.5
271.09781	28.1
272.10019	3.6
282.10077	1.8
287.22256	29.7
288.22839	2.1
295.09885	3.8
313.10922	2.0
329.10358	1.7
354.21844	1.5
415.14154	5.8
431.26395	14.7
432.26660	2.1
447.16824	2.9
449.27625	36.0
450.27856	8.1
491.28638	100.0
492.28989	15.8
535.12390	5.8
535.31622	6.6
536.20221	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	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	13.0
56.33112	1.1
59.01253	5.6
61.98706	1.5
69.90055	1.7
69.90443	2.8
70.95154	1.2
71.01263	8.1
72.99194	1.1
73.02817	1.9
73.68988	1.0
75.00758	5.4
83.01249	1.4
85.02829	4.3
87.00772	2.0
89.02316	5.3
93.03311	2.9
98.20479	1.5
99.00764	1.8
101.02320	4.9
113.02342	1.4
117.03391	1.3
119.03416	2.5
121.02834	14.4
122.03630	4.6
129.01839	9.2
133.02841	1.6
134.03633	43.2
135.04366	2.0
136.01559	1.2
137.02359	8.1
139.03932	2.0
147.02904	20.6
149.01227	1.7
149.02356	20.8
149.05989	12.3
150.03139	48.7
151.03717	1.5
164.04678	4.2
165.05479	50.7
166.05861	2.3
173.04439	2.9
178.02641	22.0
179.05583	1.5
180.04160	3.3
191.05540	2.7
193.04996	100.0
194.05342	5.7
195.06560	47.9
196.06876	2.5
221.06001	2.0
238.06247	1.3
239.07057	3.0
250.06377	3.1
251.06943	1.5
254.09525	1.6
267.06470	1.4
276.79822	1.2
282.08951	8.7
283.09280	1.3
326.07916	1.1
327.12375	4.2
341.10269	60.6
342.10730	8.8
363.23688	1.7
389.12393	18.9
390.12726	2.9
404.37573	1.1
455.81686	1.1
537.15948	22.6
537.23370	1.6
538.16284	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	535.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57314	0.3
57.03328	0.6
59.01257	8.3
66.03380	0.7
69.03285	0.3
69.58765	2.1
71.01254	4.0
72.99188	0.8
73.02824	1.1
75.00768	0.4
83.01272	0.4
85.02829	1.9
87.00756	3.4
89.02317	1.7
92.96811	0.3
93.03349	0.4
95.01286	0.4
97.06470	0.3
99.00769	0.5
101.02335	2.1
110.02370	1.7
111.00810	0.4
113.02363	1.1
117.03355	27.3
118.03706	1.0
119.04927	9.3
121.02872	0.9
122.03664	0.4
123.04397	0.4
124.01558	0.3
125.02393	0.3
133.02850	0.3
133.06476	0.4
137.02376	0.6
139.03751	0.3
145.02864	100.0
146.03189	4.9
147.04417	0.6
149.06010	0.7
161.02344	0.5
161.05959	0.4
162.15923	0.3
163.03928	11.4
187.03825	0.4
193.04926	0.6
205.05037	0.4
209.11681	0.4
211.13344	0.4
239.07286	0.4
271.09756	0.5
299.01846	0.4
331.11920	0.5
355.24844	0.5
373.25858	0.8
447.16217	0.5
475.28857	0.6
491.21802	0.3
493.29861	0.4
527.64087	0.3
535.25250	61.2
536.25616	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	535.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66896	0.3
55.01777	0.4
57.03333	0.6
58.02504	0.3
59.01254	12.1
61.98709	1.2
69.03329	0.5
70.25954	0.3
71.01258	5.2
72.99181	0.6
73.02825	1.3
75.00727	0.8
76.81439	0.4
83.01260	1.0
85.02818	2.8
87.00750	5.3
89.02331	2.4
89.03861	0.7
93.03339	0.6
95.01266	0.5
97.02825	0.4
99.00772	1.0
99.04397	0.4
101.02324	3.5
105.03355	0.6
108.02046	3.2
109.02864	2.2
111.00784	0.6
113.02343	1.8
116.04963	0.6
117.03352	27.8
118.03682	1.1
119.04913	9.9
120.05265	0.6
121.02841	5.4
123.04414	0.6
124.01582	0.7
125.02328	0.9
130.99757	0.9
133.02847	1.4
134.03622	0.8
135.04419	2.0
137.02354	2.6
138.01868	5.2
145.02859	100.0
146.03195	4.4
147.04382	2.9
148.05322	0.5
149.02382	0.6
149.06009	0.9
152.01059	2.8
153.01830	1.1
159.04375	0.5
161.02368	1.0
161.04477	0.5
161.05928	0.5
163.03934	12.3
164.04404	0.7
165.05521	0.6
171.10176	0.4
173.05952	1.0
175.03903	0.7
177.01863	6.8
183.13684	0.4
186.06740	0.3
187.03708	0.3
187.07558	0.5
189.01915	2.2
189.09116	0.4
190.02315	0.4
191.03500	0.6
192.04239	0.6
193.05011	1.0
197.05923	0.4
199.07587	0.7
201.09189	0.4
203.07082	0.5
205.04970	0.6
209.11726	0.8
211.13297	0.6
225.09000	0.5
227.03358	0.4
285.20862	0.4
287.22238	1.4
300.02670	0.5
301.10925	0.6
313.18088	0.4
315.07101	0.9
331.11865	0.9
333.09592	0.4
359.27991	0.5
360.28400	0.5
397.13623	0.4
431.16058	0.5
431.26358	0.5
447.16446	1.5
449.27402	1.3
475.28903	0.5
491.12808	2.9
491.28546	2.5
492.28833	0.5
493.30035	0.7
517.16693	0.7
535.13843	1.8
535.25262	58.0
535.31372	4.1
536.13556	0.8
536.25720	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	535.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66896	0.3
55.01777	0.4
57.03333	0.6
58.02504	0.3
59.01254	12.1
61.98709	1.2
69.03329	0.5
70.25954	0.3
71.01258	5.2
72.99181	0.6
73.02825	1.3
75.00727	0.8
76.81439	0.4
83.01260	1.0
85.02818	2.8
87.00750	5.3
89.02331	2.4
89.03861	0.7
93.03339	0.6
95.01266	0.5
97.02825	0.4
99.00772	1.0
99.04397	0.4
101.02324	3.5
105.03355	0.6
108.02046	3.2
109.02864	2.2
111.00784	0.6
113.02343	1.8
116.04963	0.6
117.03352	27.8
118.03682	1.1
119.04913	9.9
120.05265	0.6
121.02841	5.4
123.04414	0.6
124.01582	0.7
125.02328	0.9
130.99757	0.9
133.02847	1.4
134.03622	0.8
135.04419	2.0
137.02354	2.6
138.01868	5.2
145.02859	100.0
146.03195	4.4
147.04382	2.9
148.05322	0.5
149.02382	0.6
149.06009	0.9
152.01059	2.8
153.01830	1.1
159.04375	0.5
161.02368	1.0
161.04477	0.5
161.05928	0.5
163.03934	12.3
164.04404	0.7
165.05521	0.6
171.10176	0.4
173.05952	1.0
175.03903	0.7
177.01863	6.8
183.13684	0.4
186.06740	0.3
187.03708	0.3
187.07558	0.5
189.01915	2.2
189.09116	0.4
190.02315	0.4
191.03500	0.6
192.04239	0.6
193.05011	1.0
197.05923	0.4
199.07587	0.7
201.09189	0.4
203.07082	0.5
205.04970	0.6
209.11726	0.8
211.13297	0.6
225.09000	0.5
227.03358	0.4
285.20862	0.4
287.22238	1.4
300.02670	0.5
301.10925	0.6
313.18088	0.4
315.07101	0.9
331.11865	0.9
333.09592	0.4
359.27991	0.5
360.28400	0.5
397.13623	0.4
431.16058	0.5
431.26358	0.5
447.16446	1.5
449.27402	1.3
475.28903	0.5
491.12808	2.9
491.28546	2.5
492.28833	0.5
493.30035	0.7
517.16693	0.7
535.13843	1.8
535.25262	58.0
535.31372	4.1
536.13556	0.8
536.25720	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	535.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.7
57.03317	0.7
59.00954	0.6
59.01252	11.8
59.21650	0.4
63.90750	0.3
65.66496	0.4
66.09131	0.4
69.58164	2.9
71.01247	5.2
72.01619	0.4
72.54762	0.4
72.99184	0.6
73.02821	1.5
74.45716	0.4
75.00745	1.0
83.01232	1.0
85.02821	2.3
85.73499	0.4
87.00770	2.9
89.02327	2.4
93.03354	0.7
99.00765	1.1
101.02339	3.4
108.02011	0.4
113.02347	2.2
114.59042	0.5
117.03351	22.5
118.03699	0.9
118.96792	0.4
119.03477	0.7
119.04914	10.5
121.02866	1.2
125.02345	4.4
134.03680	0.6
135.00716	0.6
135.04413	0.5
136.57216	0.4
137.02328	1.3
145.02856	100.0
146.03166	5.2
146.90277	0.4
147.04411	0.9
149.02377	0.8
149.06015	0.5
155.10760	1.0
159.04456	0.5
161.04472	0.5
161.05963	0.7
162.06699	0.6
163.03931	12.9
164.04321	0.8
167.03493	0.9
171.04279	0.4
171.10042	0.7
177.01938	0.5
186.06830	0.8
193.04977	1.6
194.76141	0.4
205.05025	0.5
208.98097	0.4
209.11841	0.8
256.72067	0.5
271.19312	0.5
283.17114	0.6
299.02118	0.6
311.16507	3.0
312.17105	0.6
327.16101	0.5
329.17438	1.1
331.08032	1.6
355.24866	1.0
373.16455	0.6
373.25980	1.9
447.20300	0.9
448.20557	0.5
475.29428	0.6
491.19330	3.5
492.19714	0.6
505.08032	0.6
513.29608	0.4
517.17310	1.3
535.12067	1.5
535.18658	2.2
535.25519	53.9
535.31628	13.4
536.12927	0.7
536.25427	10.3
536.31683	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	535.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87791	0.2
54.26062	0.2
59.01255	2.6
61.98682	0.2
66.43963	0.2
68.99699	0.2
71.01278	0.6
71.54688	0.2
73.02840	0.3
81.03319	0.3
83.01280	0.2
85.02849	0.3
87.00758	1.5
87.40496	0.2
89.02315	0.2
90.43117	0.2
91.05425	0.3
91.41122	0.3
93.03343	1.0
95.01284	0.5
95.04936	0.3
97.02861	0.2
101.02332	0.6
108.02055	2.9
109.02869	1.4
109.99969	0.4
111.00760	0.9
113.02356	0.4
115.44705	0.2
117.42986	0.2
119.04922	0.4
121.01976	0.3
121.02847	5.5
122.03653	3.0
123.00793	2.9
123.04380	0.5
124.01562	10.3
125.02301	0.5
130.99756	0.3
133.02838	1.8
134.03638	0.5
135.04428	1.4
136.01575	3.5
137.02351	22.1
138.03180	2.6
139.03918	5.1
141.13618	0.2
145.02888	0.3
147.04463	1.8
148.01599	0.5
148.05229	0.4
149.02359	37.0
150.03142	75.4
151.03938	16.1
152.04512	0.6
153.05496	2.0
154.02615	0.2
159.04401	0.3
161.02348	1.9
161.04509	0.2
162.03148	2.2
163.03931	8.1
164.04689	2.0
165.05496	31.2
166.05876	1.4
173.05986	0.4
175.03979	0.3
177.01828	0.5
177.05490	2.8
179.07054	4.1
180.07442	0.3
191.03387	0.3
192.04266	0.4
193.05084	0.3
197.05974	0.4
198.05339	1.5
199.03995	0.4
200.04204	0.2
201.05363	0.3
211.13313	0.3
212.24075	0.2
213.05569	0.9
215.03523	0.3
217.04893	0.3
225.05624	0.4
229.05009	0.3
240.04204	0.2
241.05142	1.4
242.05861	0.3
257.04547	1.1
258.05103	0.4
268.03702	0.4
269.04562	1.0
271.02567	0.4
271.09796	0.4
273.07623	0.5
283.06088	0.6
284.06903	0.5
285.04099	3.7
285.07306	0.4
286.04691	1.6
287.09305	0.5
299.09219	1.4
300.06421	7.1
301.07071	2.1
315.08759	9.3
316.09497	61.8
317.09842	6.4
331.11865	100.0
332.12219	11.7
332.91858	0.3
461.08575	0.5
475.16351	0.6
491.13391	1.4
520.08313	0.3
520.15875	4.4
521.16193	0.7
535.12048	1.2
536.21997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93438	0.5
59.01254	36.0
61.63154	0.4
62.79739	0.4
65.03820	0.7
70.18328	0.9
70.18708	1.2
71.01241	0.8
78.29956	0.5
81.03317	0.6
85.02834	0.6
87.00761	1.0
91.05430	2.4
93.03350	0.7
94.42248	0.5
108.02051	1.9
109.02146	0.9
109.02847	14.9
110.03188	0.6
119.04924	0.8
121.02844	4.2
123.04389	2.9
133.02861	0.6
134.03668	2.8
135.04427	25.2
136.04770	0.7
137.02281	0.5
147.04402	5.6
149.05995	6.0
150.03116	0.5
163.03909	0.8
179.93929	0.5
186.06772	0.6
191.05524	0.5
193.04831	0.9
212.08356	1.1
214.06306	1.8
229.08630	1.8
241.05063	1.5
253.08655	1.1
256.07367	3.0
268.77707	0.5
271.09760	100.0
272.10083	10.1
299.09171	1.0
316.09439	0.9
316.37445	0.5
331.11743	1.6
535.31207	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	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27251	0.3
59.01006	0.3
59.01254	2.7
65.03828	0.8
70.01569	1.7
71.01254	0.6
75.00791	0.4
78.98984	0.4
85.22459	0.3
87.00732	0.9
91.05411	2.2
93.03343	0.7
98.19863	0.4
101.02318	0.5
105.65752	0.3
108.02042	2.6
109.02841	21.7
110.03154	0.6
119.04868	0.6
121.02835	5.3
122.03633	0.7
123.04403	3.9
126.03017	0.3
128.64645	0.3
133.02832	1.0
134.03676	2.3
135.04416	25.6
136.04735	1.0
137.02299	0.6
145.02827	1.4
147.04416	5.7
149.05980	6.8
150.06317	0.4
151.03996	0.4
186.06750	0.7
188.04691	0.4
197.06061	1.7
203.07213	0.5
211.07570	0.5
212.08365	1.3
213.05363	0.6
214.06308	1.4
222.79474	0.3
227.10759	0.7
229.08670	1.6
234.19455	0.4
238.06317	1.2
241.05092	1.4
241.23994	0.4
253.08780	1.8
255.06522	0.6
256.07324	2.5
271.09753	100.0
272.10101	9.4
287.09406	0.5
303.78857	0.4
324.09344	0.5
535.31439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	1.4
61.98694	0.9
69.68037	1.2
69.68446	1.1
71.01266	0.7
82.93618	0.4
87.00745	1.7
89.02339	0.5
94.30751	0.4
97.02850	0.4
101.02317	0.5
113.02316	0.4
130.99808	0.5
137.02377	0.5
142.55917	0.4
147.04446	1.5
148.01584	2.2
149.05986	0.4
152.99474	0.7
163.03941	1.0
175.03983	0.4
191.03497	0.6
192.04231	0.6
209.11774	0.4
211.07721	1.2
214.06667	0.3
221.06090	0.6
234.29265	0.4
239.07106	16.8
240.07407	1.9
254.09523	2.7
269.11838	18.2
270.12256	1.5
312.02890	0.8
313.03632	0.6
342.07523	1.3
343.08484	1.4
474.09665	0.7
489.12619	0.8
503.06439	0.6
533.10767	3.7
533.19257	0.4
534.11371	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	533.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66892	0.4
57.29980	0.4
59.01259	2.3
61.98744	0.6
71.45158	0.9
78.95781	7.1
85.06490	1.2
110.98429	5.3
110.99010	0.4
119.04933	0.5
137.06088	0.5
152.99489	0.5
154.22966	0.5
162.72897	0.4
165.12833	1.3
167.00996	2.5
181.12325	0.8
185.02127	5.4
191.03473	0.5
199.13358	18.1
200.13724	1.0
206.68214	0.4
254.64357	0.5
258.44095	0.5
277.21851	0.5
279.19669	6.4
280.20135	0.9
303.26895	0.5
347.25867	6.0
348.26270	1.0
350.80466	0.5
363.25305	0.7
365.26968	100.0
366.27313	15.2
489.11850	1.0
503.06314	0.7
518.08807	0.6
533.11188	4.9
533.28833	14.8
534.10870	1.4
534.29218	3.1
544.37256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17477	1.0
55.01761	1.5
57.03318	3.3
58.00469	1.4
58.92603	1.2
59.01251	21.4
65.00197	10.1
71.01261	11.5
71.04858	1.2
73.02808	3.7
75.00734	2.8
75.59883	1.3
81.18935	1.1
83.01247	6.3
85.02824	6.4
87.00742	5.4
89.02322	9.9
93.03334	3.2
95.01265	1.5
97.02792	1.2
98.19801	2.1
99.00765	2.8
99.04387	3.0
101.02337	6.6
103.70359	1.3
107.01272	17.0
108.02032	2.3
109.02847	3.5
113.02319	5.1
119.03363	1.6
119.04906	2.2
121.02835	2.6
123.00758	1.2
123.04452	1.2
125.02352	9.4
134.03596	2.8
135.04414	63.8
136.04767	2.8
137.02333	2.3
139.03925	1.5
145.02850	4.0
147.04436	2.7
149.02411	2.1
149.04396	1.6
149.05956	1.5
151.00279	100.0
151.03825	2.1
152.00650	3.5
156.31264	1.2
159.04436	1.7
160.01552	2.7
161.02385	2.4
163.03883	2.0
165.01929	1.9
165.05469	1.9
170.51611	1.2
171.04628	1.2
173.04460	2.6
173.05862	1.2
175.03925	3.4
177.01764	1.4
187.03883	1.6
191.03419	2.5
191.05484	2.8
193.04999	5.2
219.03046	1.3
225.05482	10.2
226.06285	1.4
233.06645	1.6
241.08694	14.4
242.08902	1.5
267.07352	1.3
287.05612	84.0
287.32318	1.2
288.05856	8.3
293.08783	2.2
299.01816	2.8
300.02698	1.9
329.10492	2.0
355.15811	2.2
355.25012	1.7
373.25992	3.9
388.09247	2.1
389.09644	1.9
391.11087	1.3
404.19534	1.4
463.48016	1.2
491.11966	14.1
492.11914	1.7
526.05682	1.5
535.12811	3.5
535.31390	28.5
541.03534	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	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76720	4.0
57.03314	6.2
58.19053	4.0
59.01252	100.0
60.80737	4.7
61.92267	3.9
61.98722	5.7
71.01250	33.3
72.99164	5.8
73.02815	11.6
75.00747	5.2
78.18168	3.9
83.01259	5.6
83.04882	5.5
85.02824	19.3
87.00756	49.0
89.02314	13.9
91.01758	5.2
91.05453	6.1
93.03332	11.4
93.64645	4.3
95.04902	4.8
95.39099	4.3
98.19805	15.5
99.00761	9.6
99.80517	4.3
101.02339	18.6
103.00329	4.2
105.03373	5.3
108.02046	9.1
109.02840	27.5
113.02334	18.5
117.03433	4.5
119.04909	50.9
121.02838	31.8
123.04384	11.7
125.02385	5.9
130.99789	7.8
131.04866	5.0
133.02881	7.7
134.03641	19.7
135.00655	5.5
135.04417	56.0
137.02345	22.0
145.02840	12.0
147.04428	46.5
148.05193	9.6
149.06004	31.6
153.01814	10.4
159.04333	5.3
160.01501	5.4
161.02338	12.4
163.03902	37.3
165.00020	6.0
173.05946	14.3
178.02696	6.7
183.13858	5.4
185.06082	5.2
186.06642	5.4
188.04651	7.2
191.03421	17.1
192.04199	17.9
193.05026	30.3
197.06194	5.4
202.06018	6.0
203.03413	5.3
209.11661	6.8
211.13416	6.1
219.02756	5.3
255.02829	4.5
268.03741	8.2
271.09787	69.3
272.10156	8.3
327.04843	7.2
331.06430	21.5
342.07346	7.9
415.14114	32.8
415.27182	5.0
416.14340	6.9
447.16406	10.2
462.23590	11.9
462.74088	13.0
463.23697	5.6
475.16058	8.8
505.07770	11.0
535.12335	75.3
535.19891	7.9
535.31891	5.9
536.12738	13.1
536.36731	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18806	0.5
57.03330	1.0
59.01252	3.2
60.99183	0.9
71.01244	1.6
71.52409	0.7
72.11338	0.6
72.99191	3.4
83.59283	0.6
85.02824	10.8
87.00745	3.8
89.02329	1.5
93.03340	2.7
99.04322	0.7
111.04418	1.7
115.00258	1.1
116.94254	0.6
117.78828	0.7
127.03866	1.4
129.01842	1.6
133.01315	3.1
147.02954	1.5
171.02847	0.8
173.04457	1.1
191.05542	100.0
192.05887	5.5
221.03053	1.1
221.05223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01701	0.3
57.87640	0.3
59.01255	2.2
69.90797	0.9
69.91192	0.6
71.01237	0.9
72.00845	0.3
74.85091	0.3
85.02815	0.5
87.00742	0.7
89.02342	0.6
93.03327	0.5
95.01208	0.4
101.02296	0.7
113.02358	0.6
119.81416	0.3
123.04395	0.9
142.77831	0.3
149.02251	0.6
151.00290	0.4
157.02972	0.4
167.03416	1.8
171.04337	0.6
183.04396	1.2
187.03873	1.4
187.05348	0.3
199.03894	2.3
201.01813	0.7
203.03368	0.6
211.03963	1.0
213.01833	0.6
215.03441	1.2
227.01331	0.4
227.03419	6.0
228.03735	0.6
229.01370	1.3
231.03030	0.8
242.02039	0.4
243.02911	3.8
253.01390	0.9
255.02997	4.5
256.03439	0.5
257.00937	0.8
270.01733	1.0
271.02484	38.3
272.02835	2.8
281.00891	1.0
283.02466	3.4
284.02847	0.4
298.01248	0.6
299.01971	75.6
300.02313	7.0
314.04333	28.3
315.04623	2.7
329.06674	100.0
330.07022	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	533.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36723	1.2
55.01767	1.7
57.03325	5.1
58.00460	1.4
59.01255	36.9
59.14643	1.2
69.03320	3.1
71.01260	32.5
71.54065	1.2
71.54438	2.0
72.99189	8.8
73.02835	6.3
75.00753	16.9
83.01286	3.6
83.04935	1.4
85.02829	27.8
87.00760	14.2
89.02322	10.8
93.03340	39.1
94.03703	2.6
95.01240	6.4
99.00778	15.1
99.04425	1.8
101.02322	6.9
103.00275	3.1
107.04877	1.4
108.02074	3.9
109.02829	3.1
113.02337	33.0
114.02681	1.7
115.00256	2.1
117.03343	11.4
119.04916	22.8
121.02866	2.4
123.04404	3.2
129.01828	2.3
130.99753	1.2
133.02823	1.6
135.04414	1.7
136.01599	3.0
137.02350	68.4
138.02689	2.9
143.03426	1.5
143.96039	1.2
145.02866	42.3
145.04890	2.0
146.03218	1.9
147.04474	4.2
160.01582	1.8
161.02354	4.1
162.02882	1.2
163.00275	2.3
163.02707	1.9
163.03937	20.2
163.06068	1.7
173.04526	2.4
173.06021	1.4
175.02448	2.8
175.03860	2.3
177.01878	1.5
183.16771	1.2
185.06122	1.2
189.01881	5.7
190.02299	2.8
191.05492	2.3
193.03459	1.5
193.05042	3.9
207.04959	2.4
211.06035	7.9
215.03464	1.5
219.02939	2.5
231.05060	3.1
243.02998	1.5
249.06152	25.7
250.06653	1.6
255.02943	3.1
261.07657	1.4
267.04364	2.3
267.07239	36.5
268.07458	2.8
283.02521	3.6
284.03214	1.7
285.04007	4.5
299.01910	2.4
312.55057	2.5
313.03400	1.3
314.04227	2.7
314.08185	1.6
325.09317	9.3
342.07422	3.9
343.08179	3.0
344.08441	2.1
351.10977	4.4
369.08340	3.6
387.09354	100.0
388.09598	9.3
395.09726	9.3
413.10901	14.5
419.03918	1.6
460.10101	2.4
467.11591	6.2
467.61142	2.4
533.12390	28.7
533.22260	2.0
533.29901	4.4
533.62982	6.3
534.13104	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	531.3172
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
54.45718	1.0
55.01741	1.5
57.03309	3.4
58.00471	1.2
59.01249	17.2
61.68543	1.2
61.98708	2.5
68.99689	1.1
69.03329	2.2
69.88426	2.7
69.88836	4.2
71.01255	22.1
72.99185	6.8
73.02834	1.8
75.00748	18.0
83.01236	1.4
85.02821	24.1
87.00768	8.1
89.02305	3.3
91.23474	1.0
95.01258	4.1
99.00754	10.1
101.80142	1.2
103.00230	3.6
112.01632	1.4
113.02328	36.8
114.02634	1.7
115.00243	1.5
117.01857	1.7
129.01799	1.6
175.02357	2.2
205.07112	2.7
223.08105	1.8
233.43245	1.1
249.06108	8.5
267.07169	9.0
279.23303	2.1
281.24847	77.6
282.25162	8.3
314.39731	1.3
425.45132	1.5
513.30518	2.9
531.31696	100.0
532.32062	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	531.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
57.03578	0.5
60.23626	0.6
65.55196	0.5
67.01742	0.7
68.99696	0.8
69.03331	1.3
69.40609	4.5
71.01250	10.3
72.99175	2.7
73.02806	1.2
75.00351	1.0
75.00745	10.7
83.01221	0.6
83.04901	1.5
85.02824	12.5
85.86384	0.6
87.00763	4.8
88.00587	0.6
89.02315	2.7
93.03317	0.7
95.01266	2.4
95.04959	1.1
99.00748	5.7
103.00249	1.5
108.75718	0.5
109.02818	1.2
111.04420	1.4
111.08038	0.6
113.02336	18.1
113.27645	0.5
115.00261	1.1
117.01823	1.7
121.06470	1.8
123.08051	6.2
129.01854	0.9
139.07561	0.9
145.10107	1.0
153.09074	1.1
157.01273	0.7
171.11700	6.0
172.11949	0.8
175.02429	1.6
189.09079	1.1
189.12737	2.4
201.12770	1.4
207.05101	1.0
207.13885	1.1
231.05052	1.7
237.14932	6.8
246.73523	0.6
249.03505	0.9
249.06133	30.7
250.06400	1.8
267.07211	31.8
268.07474	1.4
281.13986	5.2
323.09344	0.7
442.80359	0.6
464.73209	0.6
513.19690	1.1
531.20844	100.0
532.21143	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	531.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01245	10.6
61.98688	0.7
67.01764	1.0
71.01255	3.9
71.53053	1.1
72.99185	0.8
73.02818	0.9
75.00736	0.9
83.01262	0.8
84.97443	0.6
85.02838	2.0
87.00757	5.3
89.02322	1.5
93.03343	3.0
93.72713	0.6
99.00748	1.4
101.02325	2.7
101.18463	0.6
101.85967	0.7
104.05679	0.6
105.03373	0.8
106.04165	0.9
107.04956	0.7
108.02056	1.0
109.02832	1.6
111.00748	0.9
113.02299	2.5
117.03329	1.1
119.04934	1.8
121.02853	4.0
123.00821	0.6
123.04391	0.9
128.01045	2.3
132.02107	3.2
133.02852	10.6
134.03635	72.0
135.03099	0.6
135.04045	3.2
137.02347	13.0
137.03325	1.1
139.03912	4.0
145.02893	1.7
147.04443	1.9
148.01614	0.8
148.05272	0.8
149.02364	1.5
149.05992	20.7
150.03114	1.3
150.06343	1.1
151.00294	1.0
160.01576	17.8
161.02344	17.1
162.02785	0.7
163.03903	2.0
165.01807	0.7
173.04538	4.2
173.05795	0.9
175.03923	29.8
176.04317	1.5
177.01855	2.6
178.02635	35.5
179.03175	3.5
187.03993	0.7
189.01843	5.2
191.03622	0.7
191.05519	2.8
192.04198	9.6
192.05879	0.9
193.04994	100.0
194.05350	6.6
203.03490	0.8
207.06566	11.6
208.07005	0.8
217.05040	1.5
219.02899	0.9
255.03146	0.9
267.02939	0.7
267.06754	1.5
271.02542	1.3
283.06042	0.9
299.02020	0.6
300.02747	2.8
313.03418	0.8
315.02652	0.7
322.07056	1.8
323.07693	21.0
324.08090	2.1
337.09299	24.9
338.09784	2.7
342.07547	1.5
343.08136	1.0
349.03372	0.9
401.06506	0.7
407.07855	1.3
440.52420	0.8
473.05170	1.1
476.43665	0.7
501.04895	0.8
503.09680	1.5
531.08643	13.5
531.16925	3.1
531.27869	3.0
532.09125	3.8
532.16699	1.0
532.28223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58888	0.7
55.01758	1.0
57.03320	7.6
59.01250	36.8
67.01759	2.7
68.99694	3.5
69.03323	2.6
71.01254	28.7
71.04896	1.1
72.99187	1.2
73.02808	1.6
75.38182	0.6
83.01250	2.2
83.04895	2.6
85.02822	30.8
87.00230	1.1
87.00749	18.7
89.02341	2.2
91.03869	1.3
93.03336	2.7
95.01273	6.2
95.04916	0.7
97.06429	0.7
98.19841	1.7
99.04391	1.6
100.01534	0.7
101.02306	1.9
103.00243	2.7
103.03901	1.0
105.03342	0.7
107.04910	2.4
109.02701	0.7
111.00750	2.9
111.04372	0.9
112.01543	1.6
113.02328	43.5
114.02657	1.5
115.00232	1.1
119.04966	0.8
123.04402	1.9
125.05936	0.6
125.83031	0.7
129.01811	3.0
130.99763	0.7
131.03413	1.0
132.02026	0.8
133.02856	0.9
134.03577	1.2
135.04401	1.3
135.11681	0.9
137.02313	1.3
139.00279	1.8
147.04456	0.8
147.07967	0.7
149.05991	1.8
151.03871	1.1
157.01343	1.9
160.01541	2.1
161.02344	2.9
161.04472	1.1
161.09639	6.9
161.13249	5.9
163.03946	1.0
163.11169	3.2
165.05510	2.9
173.04465	1.9
175.03906	4.3
178.02638	0.9
179.10693	1.6
179.14293	0.7
187.11223	5.5
189.01842	3.5
189.03882	0.7
189.09103	4.0
193.05014	7.8
201.08850	0.7
205.05037	1.9
205.07137	3.4
205.12253	6.9
207.10219	3.0
219.02927	0.8
223.05919	0.8
223.13361	4.2
249.06172	9.5
249.11296	1.8
255.02768	0.9
263.07770	9.0
267.12433	2.6
281.08777	60.6
282.09140	4.5
283.82303	0.8
300.02542	0.9
327.08438	0.8
337.09219	0.8
341.16125	4.0
411.14383	3.4
455.19202	2.2
469.20749	1.3
471.18652	3.3
499.18317	8.3
513.19739	1.4
531.09528	4.8
531.20825	100.0
531.62830	0.8
532.09607	1.0
532.12250	0.9
532.21204	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	531.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03331	11.7
59.01249	40.4
61.98691	1.1
66.04458	0.9
67.01767	2.6
68.99693	2.7
69.03315	2.8
69.57148	5.6
71.01256	32.1
72.99164	1.4
73.02821	2.5
75.00735	1.2
81.03325	1.8
83.01256	3.2
83.04888	2.5
85.02824	33.3
87.00755	21.3
89.01865	0.9
89.02335	4.4
91.03906	2.0
93.03347	6.2
95.01261	5.6
97.06501	1.4
98.19725	1.4
99.00783	1.9
99.04400	5.9
101.02327	3.0
103.00244	2.8
107.04933	2.7
111.00766	3.3
111.04408	1.0
112.01540	1.8
113.02333	50.0
114.02690	1.1
115.00253	1.6
119.04923	1.8
120.05743	1.1
121.02841	1.8
122.07896	0.9
122.11771	0.9
123.04403	1.9
125.02309	1.5
125.05950	2.0
127.03909	1.3
129.01823	3.8
131.03375	1.2
133.02838	4.3
134.03607	1.1
135.04428	1.4
135.11705	0.9
137.02324	2.1
139.00290	2.7
145.02846	1.0
148.05174	1.4
149.05969	3.2
155.03349	1.1
157.01335	1.3
160.01584	1.2
161.02380	12.7
161.09653	6.1
161.13263	4.1
163.03909	3.0
163.11200	2.5
173.04515	11.4
173.05887	1.7
175.03859	1.7
177.01930	1.3
179.10588	1.4
187.00258	3.3
187.11185	5.7
189.01868	20.7
189.03693	1.7
189.09189	3.7
190.02173	1.5
191.05536	2.7
193.04984	2.7
197.58769	0.9
205.07094	6.0
205.12331	5.6
207.10147	2.6
223.13354	2.3
227.03491	1.9
242.02373	1.0
249.06139	9.4
253.01810	1.1
255.02831	2.5
263.07678	8.1
267.12344	2.2
269.00845	1.2
271.02344	1.2
281.08783	63.8
282.09128	3.6
284.03278	2.8
285.04080	1.7
295.02649	1.0
297.00162	0.9
299.05664	1.9
312.02707	2.8
313.03552	5.1
327.05008	2.0
328.05817	3.7
341.16034	4.8
342.07584	4.5
343.08118	2.2
455.19348	1.7
457.05972	1.5
469.21225	1.2
471.18741	1.0
473.04904	1.8
487.10281	1.7
499.18344	6.8
501.04465	1.3
513.19781	2.2
516.07379	1.4
531.09235	32.8
531.20795	100.0
532.09442	7.5
532.21277	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03317	4.8
59.01252	15.3
61.98714	1.4
65.99056	0.7
67.01766	1.5
68.99691	1.9
69.03334	1.5
69.44473	4.2
71.01254	18.4
72.99192	4.8
73.02830	1.6
75.00748	14.0
83.01256	1.1
83.04914	3.7
85.02822	16.2
87.00748	9.7
89.02335	4.3
93.03332	1.5
95.01275	4.5
95.04899	1.8
96.95865	1.1
97.41238	0.8
99.00757	8.1
99.02800	0.8
99.04377	0.9
101.02316	1.3
103.00244	0.8
105.59000	0.8
106.22623	0.7
109.02835	1.1
111.00793	0.9
111.04374	1.3
112.01486	0.8
113.02326	19.4
115.00290	1.1
117.01820	2.1
121.06448	1.9
123.08039	8.3
129.01851	2.0
137.06087	0.9
137.09657	1.0
139.07472	0.8
151.07506	1.1
153.09204	0.8
169.10091	1.3
171.11696	7.2
175.02417	1.7
175.03864	1.0
175.36604	0.7
189.09171	0.9
189.12755	1.8
191.05586	1.1
201.12720	1.1
207.14027	1.0
237.14909	7.1
239.78450	0.8
249.06140	29.3
250.06488	1.4
263.12927	1.1
267.07205	31.8
268.07660	1.3
276.18365	0.7
281.13898	6.6
282.58884	0.7
357.09583	1.5
499.77066	0.7
513.20166	1.3
531.20856	100.0
532.21185	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	531.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08069	0.2
51.35009	0.2
56.40064	0.2
69.92244	1.3
71.01257	1.2
82.51621	0.3
85.02832	0.4
87.00764	0.3
89.02321	2.1
93.03352	0.3
99.00748	0.5
101.02314	0.4
105.06963	0.4
105.76796	0.2
106.04120	0.6
108.02040	1.8
109.02831	1.3
119.04886	0.6
121.02848	0.3
121.06512	1.6
122.03632	0.8
123.03636	0.2
123.04426	1.7
125.02325	0.9
129.03339	0.3
130.04124	0.5
131.03374	0.5
131.04919	2.0
134.03604	0.7
137.02318	0.3
147.04424	7.7
148.05212	4.6
149.05981	94.1
150.06334	4.3
150.40871	0.3
175.03914	3.7
193.04988	100.0
194.05325	5.7
204.34726	0.3
215.80774	0.3
219.02924	25.0
220.03307	2.2
233.06607	0.9
237.04063	0.3
293.08853	1.5
487.14609	7.6
488.14853	1.1
513.12500	5.4
514.13013	0.7
531.13519	70.9
532.13861	10.1
558.66510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62691	0.3
69.77796	0.6
69.78205	0.8
71.01260	1.1
78.76630	0.2
85.02831	0.4
89.02320	1.4
93.03308	0.4
98.19865	0.4
98.45675	0.3
99.00770	0.4
103.05431	0.7
105.06956	0.4
106.04104	0.5
108.02058	2.7
109.02832	1.8
117.68218	0.3
119.04926	1.0
121.02856	0.4
121.06490	1.8
122.03634	1.1
123.04415	1.6
125.02341	0.7
125.13191	0.3
127.60946	0.3
129.03345	0.5
130.04123	0.8
131.03383	0.4
131.04932	2.4
134.03662	0.9
139.99423	0.3
147.04408	7.7
148.05212	6.7
149.05988	100.0
150.06332	5.5
175.03957	3.1
177.15874	0.2
178.86067	0.3
192.04256	0.3
193.04993	76.9
194.05342	4.7
219.02937	23.4
220.03226	1.7
229.86093	0.2
233.06621	1.2
293.08807	0.8
487.14584	7.6
488.14731	0.5
513.12494	4.2
514.12677	0.6
531.13544	62.4
532.13861	9.1
532.20593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0932
Annotation	Bacillisporin E
Peak:m/z	Relative Intensity
57.23534	1.0
59.00862	2.0
59.01186	12.6
61.40886	0.9
67.01753	3.7
69.03328	1.3
70.92903	1.9
71.01242	6.1
72.99172	1.6
73.02806	0.9
81.03299	1.6
83.01247	1.2
83.04905	1.1
85.02807	4.9
87.00759	9.2
89.02317	1.8
93.03339	23.4
93.67149	1.0
94.03651	1.0
95.01255	1.1
95.04913	1.4
99.00773	1.3
99.04386	1.8
101.02322	2.1
105.03335	2.5
108.01999	0.9
109.02824	1.8
111.04373	3.7
113.02305	3.8
119.04916	4.7
121.02836	4.4
123.00776	0.9
123.04439	2.0
125.02374	1.0
130.99754	0.9
133.02847	17.3
133.99991	1.3
134.03571	2.7
135.04391	3.7
137.02364	5.9
145.02827	2.9
147.04379	2.5
149.02335	2.1
149.05988	4.9
150.03102	1.2
151.03877	2.8
155.03395	3.4
159.04465	0.9
160.01527	2.5
161.02338	14.5
161.04404	1.4
163.00310	1.4
163.03937	4.4
168.62270	0.9
173.04475	53.5
174.03212	1.5
174.04686	1.5
175.03847	2.5
177.01857	20.4
177.05293	1.0
178.02519	3.6
179.03413	2.3
179.04823	1.3
181.05009	1.0
185.02327	2.0
187.00269	3.8
189.01871	12.6
190.02184	1.1
191.03802	1.5
191.05539	27.8
192.04208	1.5
193.04990	6.5
195.04388	1.2
198.03143	2.3
203.03490	1.3
205.01312	1.0
207.04456	1.4
209.02390	1.8
211.03882	1.7
211.07570	1.5
221.02364	1.0
222.03227	5.1
223.03905	2.3
226.02673	0.9
227.03421	2.3
235.03894	2.2
236.04727	2.8
240.04185	1.2
249.06056	1.5
250.02612	1.5
251.03470	27.2
252.04205	13.5
253.01401	2.4
253.04903	4.8
255.02913	4.0
256.03537	1.0
263.03665	1.3
264.04254	1.1
265.04968	1.2
266.02057	1.5
267.02927	2.2
270.06754	1.3
275.03281	1.5
279.02911	7.9
281.08728	1.2
283.02478	1.0
284.03192	3.4
285.03760	1.1
285.05405	1.1
286.06339	1.8
290.02014	1.1
293.94907	1.0
297.05707	1.3
298.06186	2.2
301.05057	1.7
302.05823	1.3
303.20639	1.0
313.04944	2.9
314.05637	3.6
315.06653	1.3
317.04486	1.2
318.01581	2.2
319.02295	2.9
325.04977	2.2
326.05539	1.9
329.04437	2.3
330.05286	2.9
337.52905	0.9
339.08875	4.9
340.03760	2.8
341.04446	6.8
342.04694	5.1
343.02203	1.4
343.08047	1.5
344.03149	1.7
345.03815	2.1
346.04596	1.4
351.07135	4.2
353.04413	3.4
354.05203	2.6
355.06079	1.4
357.03833	1.9
357.09698	2.0
358.04874	4.4
359.05115	1.1
367.06281	1.3
368.03073	2.2
369.03979	11.1
370.04660	10.7
371.05222	2.6
372.02695	2.2
373.03329	1.3
381.04031	1.3
382.04675	1.9
383.05597	3.0
384.06198	3.3
385.03329	3.2
385.07654	4.7
386.04089	7.4
387.05045	1.3
395.05872	1.8
396.02313	2.1
397.03360	8.5
398.04291	16.6
399.04971	2.5
401.06854	4.5
410.03510	1.0
411.05078	6.7
412.05695	3.1
413.06937	15.3
414.02951	7.6
415.04288	3.1
424.02209	1.6
425.02548	6.4
426.03540	3.8
427.03510	1.8
427.08853	1.7
428.09421	5.2
429.06177	16.6
430.06442	3.7
431.11206	1.1
439.04770	9.3
440.05054	3.7
441.01376	1.4
441.06433	1.5
442.03168	12.1
442.09302	1.7
443.11499	21.3
444.11429	3.2
445.09366	1.1
454.06799	2.8
455.07846	2.7
456.04776	2.6
457.05640	45.8
458.06061	7.3
459.10803	6.7
460.11075	1.1
469.03760	1.2
469.09485	10.1
470.09967	2.1
471.07120	3.9
472.07956	22.5
473.08295	2.8
485.08762	3.6
486.09390	2.0
487.10355	98.3
488.10648	17.4
497.41379	1.2
501.04504	4.0
503.09549	1.1
516.06952	1.5
531.09186	100.0
531.21674	3.8
532.09680	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	529.3019
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03316	2.4
58.00471	1.2
59.01250	15.1
61.58862	0.9
61.98695	2.3
67.01738	1.1
68.99680	0.8
69.03304	0.8
70.20933	0.7
71.01254	22.9
71.44951	1.4
72.60773	0.7
72.99181	6.6
73.02802	1.2
75.00746	21.4
78.95778	3.0
78.98490	0.9
79.95616	2.0
80.96389	6.2
83.01266	1.5
85.02825	26.1
87.00751	10.0
88.98642	1.7
89.02314	8.2
94.97964	1.7
95.01275	6.1
99.00756	12.8
101.02313	1.9
103.00259	3.8
103.56969	0.8
113.02336	36.6
115.00273	1.9
117.01803	3.2
129.01849	1.9
131.03386	1.1
147.04413	2.9
152.99504	2.3
157.01294	1.0
173.05981	1.9
175.02345	4.7
191.03365	1.2
205.07069	2.9
224.06898	1.1
225.00597	1.1
227.33983	0.9
231.05089	1.3
249.06119	9.1
255.23280	15.7
266.99301	0.7
267.07205	9.8
277.21713	1.6
279.23288	74.4
280.23666	8.4
341.17822	1.1
352.97672	0.7
418.70450	3.7
419.20840	2.5
439.22403	3.0
439.72644	1.1
455.23734	2.7
455.74072	1.5
461.22049	3.9
461.72168	1.3
477.23697	1.8
480.31000	8.2
499.23132	1.1
511.29129	1.5
526.26300	0.8
529.30200	100.0
530.30511	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	531.093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.4
66.21336	0.3
71.01257	1.4
73.02838	0.7
75.42851	0.3
85.02829	0.4
87.00757	1.5
89.03836	0.7
91.51861	0.3
93.03336	0.7
95.01260	1.2
98.19803	1.0
99.00740	0.4
101.02319	0.8
105.03339	0.5
111.00759	0.8
113.02274	0.4
117.03385	0.4
119.04956	0.6
121.02854	0.6
123.00774	2.8
124.01588	1.5
128.01041	0.8
132.02037	0.5
133.02881	1.9
134.03644	3.0
137.02345	0.6
139.03862	0.4
142.65764	0.3
149.02380	1.6
149.05994	1.1
151.00261	0.8
160.01549	1.8
161.02335	2.5
163.00310	0.8
163.03893	0.8
173.04436	0.6
175.03937	2.7
176.01006	0.3
177.01842	7.2
178.02652	1.7
187.00212	0.4
189.01866	1.7
192.04160	0.7
193.01271	0.3
193.05002	4.5
195.04398	0.4
195.08044	1.8
199.03879	0.4
205.54335	0.3
211.03899	0.6
217.05153	0.3
223.03976	0.4
224.04697	0.4
225.01851	0.4
226.02634	0.4
238.02580	0.7
239.03481	1.3
240.04204	0.7
250.02765	0.4
250.90393	0.3
251.03482	1.1
253.01390	0.5
255.02908	0.8
265.01437	0.4
266.02225	0.9
267.03055	1.9
268.03760	2.9
271.02444	0.7
276.04520	0.3
277.05002	0.4
279.03021	0.6
281.00900	1.1
281.04211	0.4
282.01559	0.8
283.02603	0.8
283.06097	5.5
284.03232	0.6
284.06509	0.9
294.01590	0.4
295.02368	2.2
300.02771	1.1
302.05576	0.6
305.04648	0.8
306.01651	1.8
307.02396	0.4
310.01157	1.5
311.01953	1.8
314.05872	0.7
317.04395	0.7
318.01703	0.5
318.05139	0.4
319.02646	0.6
321.00522	0.7
321.04004	1.8
323.07791	0.7
329.04428	0.9
330.05258	1.4
331.05731	0.6
332.03333	1.2
333.03952	0.7
334.01108	2.2
335.01682	0.6
336.99918	0.8
337.09268	1.0
341.04584	0.8
342.04834	0.5
343.02338	0.5
344.03024	0.7
345.04080	0.9
346.04681	1.0
349.03519	10.4
350.03922	1.1
356.03229	0.6
357.04004	1.3
358.04782	2.2
359.05695	0.6
360.02725	0.9
361.03375	0.9
363.05301	0.8
364.05823	2.0
368.03339	0.7
369.03976	0.9
370.04816	0.6
371.05704	0.6
373.03204	0.6
373.07297	1.5
374.04245	1.2
375.05029	1.1
377.03043	2.2
377.07111	0.7
379.08124	1.9
383.05597	0.8
385.03311	1.7
386.04193	3.4
387.05167	0.7
388.02200	1.2
389.02744	0.6
392.05203	1.2
397.03363	0.6
399.05130	0.5
401.06802	5.6
402.03134	1.9
403.04440	2.1
404.05334	0.4
407.07657	9.1
408.08173	0.8
411.05078	1.0
412.01810	0.4
413.02524	0.7
414.03613	2.6
415.03992	0.5
416.08914	1.3
417.06027	2.2
418.06946	0.8
427.04492	1.0
429.06552	3.6
430.02890	2.7
431.03915	1.4
431.11676	1.5
433.09344	0.8
439.04651	0.7
441.02289	0.6
441.10052	0.6
442.02878	0.8
443.08185	0.6
444.08884	0.5
445.05624	8.9
446.06143	2.1
455.04233	1.1
457.05637	1.2
458.02460	2.4
460.07602	1.8
461.08853	0.8
469.01770	0.4
470.06909	0.6
472.08008	0.5
473.05182	10.4
474.05255	1.6
475.10339	1.3
483.03223	0.9
485.04910	0.8
487.12912	1.7
488.07114	3.9
489.08255	0.5
499.06885	0.7
501.04565	2.9
503.09848	17.5
504.10059	2.9
515.05798	0.7
516.06958	3.5
517.07434	0.4
531.09314	100.0
532.09613	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03331	0.4
58.00478	0.3
59.01252	10.9
71.01256	8.0
72.99196	0.4
73.02824	0.9
83.01251	0.9
85.02821	1.8
87.00739	1.2
89.02317	6.8
95.01266	0.7
101.02328	7.6
111.08019	0.3
113.02326	3.9
113.09579	0.4
119.03387	1.8
125.02346	0.2
134.61668	0.2
137.02376	0.4
143.03389	1.1
147.04420	0.8
148.05194	0.7
149.05974	0.3
161.04463	3.7
167.10641	0.4
179.05469	1.4
179.14316	0.8
179.98366	0.3
192.04250	0.4
195.13846	8.4
196.14464	1.0
205.12274	0.9
211.13315	0.8
223.13348	6.9
224.13733	0.6
225.14975	0.3
228.13641	1.0
231.21182	0.3
235.08311	0.3
236.03477	0.3
250.07654	0.2
253.09270	35.0
254.09702	1.6
256.13150	1.1
275.20139	5.3
276.20575	0.6
293.21228	100.0
294.18213	0.6
294.21542	10.7
492.22327	0.4
529.23718	0.4
530.24554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02530	0.2
55.01758	0.4
57.03324	0.4
58.00456	0.3
59.00949	0.4
59.01251	8.2
60.01590	0.2
60.94601	0.2
61.98733	0.2
68.02948	0.2
69.03316	0.3
69.21975	0.2
69.22580	1.6
71.01254	6.6
71.04910	0.2
72.99157	0.5
73.02827	0.8
83.01267	0.5
85.02824	1.6
87.00751	0.8
89.02318	5.6
95.01285	0.5
95.04885	0.2
97.02843	0.3
97.06527	0.2
99.00771	0.4
101.02327	7.0
101.03004	0.3
111.08047	0.4
113.02321	3.1
113.09597	0.3
116.78902	0.2
119.03391	1.6
125.02341	0.3
127.07585	0.2
129.01793	0.2
131.03386	0.4
143.03416	0.6
147.04471	0.3
157.08632	0.2
161.04454	3.3
167.10722	0.4
169.12288	0.2
177.12817	0.3
179.05466	0.9
179.14359	0.9
181.12206	0.3
195.13832	9.6
196.14403	0.8
205.12230	0.9
205.15868	0.4
211.13278	0.6
223.13338	5.5
224.13759	0.4
228.13641	0.7
231.21173	0.4
235.08162	0.2
249.22345	0.3
253.09262	29.8
254.09595	1.9
256.13129	1.2
265.21637	0.5
275.20154	5.2
276.20425	0.4
293.21216	100.0
294.21548	9.8
388.51978	0.2
492.21997	0.8
496.25369	0.2
529.24060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34580	0.2
57.03326	0.4
59.01255	4.2
61.98699	0.5
68.69585	0.3
69.03333	0.4
71.01262	4.9
72.99177	0.8
73.02833	1.4
75.00730	0.3
77.37809	0.3
83.01255	0.5
85.02820	2.0
87.00755	1.8
89.02318	0.9
93.03320	1.5
95.01254	0.7
97.02842	0.4
99.00750	1.4
101.02339	3.4
104.51057	0.3
109.02851	0.6
111.00751	0.3
111.60642	0.3
113.02341	2.6
117.02557	0.5
117.03344	5.1
119.04921	52.6
120.05236	2.5
121.02847	0.6
125.02341	0.3
129.01791	0.3
130.99786	0.4
134.03642	0.8
135.04492	0.3
137.02335	0.5
143.03497	0.3
145.02864	18.7
146.03227	1.2
147.04401	0.7
149.05972	0.6
152.00984	0.3
159.02882	0.4
161.02261	0.3
161.04468	1.6
163.03925	100.0
164.04256	5.8
173.04478	0.6
175.03870	0.7
181.84258	0.2
185.00868	0.2
191.05475	0.4
193.05045	0.8
200.85287	0.3
219.03058	0.3
229.75330	0.3
251.11386	1.8
281.08276	0.4
293.12531	0.9
325.07465	0.3
355.08408	0.8
365.14688	1.0
383.15710	1.7
529.19501	8.5
530.19824	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.9
58.00462	0.7
59.01251	9.5
61.98704	0.7
65.45483	0.6
68.99693	1.0
69.03326	1.5
69.95045	2.2
71.01260	11.7
72.99187	3.2
73.02814	1.2
73.59641	0.5
75.00749	9.0
81.03334	0.7
83.01270	1.0
83.04906	0.7
85.02824	11.7
85.06477	0.9
87.00748	5.2
89.02330	3.5
91.03895	0.6
93.03328	1.3
95.01284	3.2
95.04861	0.8
97.02819	2.0
97.06437	0.7
99.00765	5.5
99.69178	0.5
101.02324	1.2
103.00266	1.4
105.65594	0.7
107.04936	0.6
109.02836	1.7
109.06507	1.3
111.00753	0.7
111.04440	0.9
113.01527	1.0
113.02331	17.0
115.00237	0.7
117.01842	1.4
121.02783	0.7
121.06537	0.8
122.03627	2.4
123.04393	1.4
124.05228	2.8
125.02316	0.6
125.06003	0.7
129.01843	0.9
134.03651	0.8
135.04395	0.9
137.02316	0.9
137.05980	2.5
139.07553	8.9
147.04393	1.3
147.08063	0.6
149.05972	1.7
151.03845	0.6
163.03960	0.8
163.07610	0.8
168.07857	1.1
175.02458	1.2
175.03831	1.2
175.11206	0.6
187.11243	5.2
189.09152	0.8
190.09833	1.2
191.03740	0.6
191.05557	1.4
193.05009	1.5
205.12254	6.9
215.28864	0.5
219.03033	1.2
231.05069	1.4
231.10155	1.5
235.13339	0.7
249.06142	21.8
250.06508	0.9
261.11356	1.0
267.07211	20.8
268.07602	1.3
279.12460	2.0
470.47256	0.6
511.18179	1.1
529.19299	100.0
530.12079	1.2
530.19617	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
58.41605	0.3
59.01250	4.7
61.98696	0.4
65.40385	0.4
70.72758	0.7
70.73085	0.4
71.01253	4.6
72.99171	0.7
73.02824	1.7
83.01299	0.9
85.02842	2.6
87.00767	2.8
89.02341	1.3
93.03339	1.1
95.01276	0.6
97.02851	0.4
99.00757	1.4
101.02311	3.4
109.02851	0.6
111.00723	0.5
113.02326	2.9
117.03346	5.7
118.03654	0.6
119.04920	52.1
120.05269	2.9
121.02839	0.8
123.04448	0.5
125.27888	0.4
134.03651	0.7
135.04463	0.5
137.02348	0.9
143.03375	0.5
145.02863	19.3
146.03217	1.0
147.04393	0.5
148.05090	0.4
149.06038	0.4
160.01619	0.5
161.04471	1.6
163.03922	100.0
164.04263	4.8
175.03886	0.8
193.05009	0.9
251.11319	1.5
262.30627	0.4
293.12427	0.7
307.98389	0.3
353.10950	0.6
355.08340	0.7
365.14542	0.9
383.15594	1.9
476.74069	0.4
529.19397	8.0
530.20105	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03318	3.0
59.01247	17.7
60.18611	0.7
61.65088	0.7
62.99498	0.7
67.01748	1.4
68.99682	1.9
69.03320	1.2
70.68150	1.9
70.68511	1.3
71.00851	1.0
71.01252	20.5
72.99181	7.9
73.02813	1.0
75.00747	23.0
83.01273	1.3
85.02824	26.6
86.03169	0.9
87.00742	9.0
87.34825	0.8
89.02312	5.2
91.03822	0.7
95.01251	6.2
96.95888	0.9
97.02800	1.0
99.00757	12.7
101.02346	0.9
103.00267	2.9
109.27550	0.7
111.00771	1.2
113.02328	33.4
114.02674	1.0
115.00230	2.3
117.01835	3.1
129.01811	2.5
129.84444	1.0
130.99767	0.9
137.02307	1.4
147.04402	1.3
147.44400	0.8
157.01340	1.3
172.66205	0.8
175.02359	5.2
189.03938	1.1
205.07173	1.8
231.05037	3.2
233.22502	1.0
249.06137	25.6
250.06570	2.1
267.07211	5.7
277.21710	89.2
278.22076	8.2
291.19644	1.0
467.26236	1.5
509.27707	3.2
527.28613	100.0
528.28949	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	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41822	1.3
55.01747	1.1
57.03331	3.1
58.11524	1.2
59.01253	17.9
63.67466	1.2
71.01258	22.0
72.99187	5.6
73.02828	1.4
73.71257	1.3
75.00751	19.8
83.01283	1.9
83.57165	1.2
85.02827	27.9
87.00761	10.0
89.02316	6.0
95.01274	5.9
99.00748	12.3
102.60942	1.2
103.00253	3.5
111.00754	1.4
113.02335	38.6
115.00301	1.7
117.01844	3.6
118.40082	1.5
122.93089	1.2
129.01823	2.8
157.01413	1.6
175.02412	5.6
205.07120	3.0
223.08206	1.9
236.03841	1.5
249.06174	8.6
267.07217	9.2
277.21719	65.4
278.22083	5.5
417.23145	1.4
509.27371	3.0
527.28674	100.0
528.28955	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	527.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08719	1.0
57.03315	2.9
58.99311	0.9
59.01237	2.7
61.98695	1.5
66.73647	1.0
71.01252	3.4
78.98462	2.5
79.95615	3.6
80.96398	27.4
85.02826	1.2
86.34632	1.0
87.00756	8.5
91.05424	1.4
93.03406	1.2
94.97942	3.8
96.95877	1.7
101.02321	1.9
103.05406	2.0
108.02013	1.6
109.06512	1.2
111.08076	1.2
119.04925	1.7
121.02856	1.8
122.97556	1.5
123.08051	2.0
124.96690	2.2
125.02378	1.5
125.09599	5.1
130.99741	1.0
131.04918	3.4
133.06483	2.4
134.97458	2.6
135.04425	1.1
137.02344	10.5
139.03897	4.4
145.02872	2.0
146.03641	4.1
147.04433	32.0
147.08098	1.8
148.05211	70.7
148.99086	2.6
149.05997	100.0
150.06323	5.9
151.11148	1.1
152.98541	3.3
158.88112	1.3
163.11403	1.4
164.98543	4.3
165.99390	1.6
173.06026	1.5
175.07478	1.1
181.12270	1.5
184.24420	1.1
185.16585	1.0
187.07538	1.5
191.03511	1.3
192.04230	12.0
193.05005	18.7
194.05302	1.5
196.76457	1.1
199.07458	2.1
211.13275	4.1
215.12843	1.5
218.02165	3.5
219.03085	1.4
225.00607	6.4
247.20718	1.9
267.17618	1.4
269.15128	1.1
274.60367	1.0
289.18051	1.5
291.19672	50.2
292.20047	4.5
311.16824	1.6
317.78842	1.4
355.15668	2.0
398.13861	3.1
421.23828	3.5
439.24924	7.5
465.22913	2.9
483.23901	29.0
484.24222	5.7
509.21820	12.7
510.22189	3.5
527.24048	67.1
528.24097	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56370	0.8
56.26191	0.9
58.52827	0.8
59.01257	7.0
61.98698	2.2
71.01260	7.1
71.54102	1.5
73.02824	2.5
75.78956	0.8
78.95747	1.0
78.98460	3.9
79.95605	6.8
80.96393	50.9
83.01247	0.9
85.02815	3.5
87.00760	9.3
89.02296	1.2
93.03320	1.1
94.97971	12.1
95.01251	1.0
96.95908	1.1
97.02787	2.3
97.06465	2.5
99.00739	2.2
101.02320	3.6
102.15385	0.8
106.97949	2.8
107.04889	1.2
108.02049	1.2
109.02813	2.1
111.04410	1.1
113.02303	2.2
115.00304	1.3
115.01105	0.9
119.04942	1.0
121.02840	5.7
122.03637	1.3
122.97453	3.9
123.04404	1.5
125.02332	2.5
130.99728	1.4
134.97447	3.0
135.04431	1.2
137.02368	2.5
147.04449	4.9
148.99020	5.6
149.06007	1.6
152.01109	1.2
152.98547	5.9
153.01889	0.9
159.04431	1.0
163.03964	1.5
164.98537	11.5
165.03946	1.0
165.05289	1.0
173.04510	1.2
173.06046	1.0
177.01772	1.2
179.03432	1.0
182.99628	2.7
183.13896	6.0
184.14214	1.1
191.03471	2.3
191.05475	2.0
193.04991	2.1
201.05589	1.7
201.09317	0.9
205.01379	1.4
206.99628	2.8
213.09106	1.4
219.03038	1.0
224.98683	1.7
225.00720	21.3
227.07518	0.9
243.01765	2.1
250.78339	0.9
291.09146	1.0
297.11334	1.2
299.04633	2.2
341.10358	2.4
351.10858	14.0
352.10855	1.0
353.03189	1.2
366.07297	1.1
367.08148	1.2
407.11115	1.4
442.63541	0.9
451.16986	3.2
479.20905	1.0
527.18060	100.0
528.18469	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	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.0
61.98705	0.7
63.96125	0.8
69.03322	1.2
71.01253	8.4
71.54652	0.5
72.99189	0.6
73.02809	2.4
75.00746	0.5
75.75941	0.4
78.95767	0.6
78.98457	5.6
79.95605	9.7
80.96390	62.3
81.03325	0.6
81.96324	0.4
83.01283	0.8
83.04897	0.3
85.02827	3.5
85.82152	0.3
87.00753	5.6
89.02302	0.9
93.03333	0.5
94.97963	15.1
95.01269	0.6
96.95902	1.4
97.02841	1.8
97.06487	0.5
99.00756	1.0
101.02334	2.9
103.03062	0.3
106.97959	3.2
108.02058	1.0
109.02853	1.2
111.00767	0.9
113.02299	0.9
119.04843	0.4
121.02831	1.5
122.97464	3.3
123.04443	1.0
125.02321	3.5
127.03934	0.4
130.99756	0.6
134.03583	0.6
134.97472	4.9
135.04399	0.9
136.99049	1.4
137.02333	1.4
139.03964	0.5
143.03419	0.5
145.02834	0.4
146.03482	0.5
147.04414	1.9
148.99043	6.7
149.05882	0.8
152.01054	0.6
152.98546	5.8
159.04492	0.5
160.05313	0.5
161.02361	0.4
162.06683	0.4
163.03912	1.0
163.40018	0.4
164.98550	13.3
165.12762	0.8
165.98976	0.4
167.00070	0.5
173.04509	0.7
173.05983	1.0
174.06773	0.5
175.03912	1.1
183.13820	5.6
187.03960	0.5
189.05394	0.4
191.03377	1.2
193.04984	0.7
201.05565	0.5
206.99590	3.1
219.02742	0.4
219.06493	0.6
225.00688	19.2
226.01068	0.7
227.12759	0.7
271.10461	0.4
282.08710	0.5
297.11279	1.0
298.11673	0.4
298.26126	0.4
299.04462	2.3
341.10318	1.6
342.10800	0.8
351.10748	2.2
366.07498	0.6
367.08075	0.9
384.00378	0.4
401.70480	0.4
483.19141	1.2
505.37222	0.4
527.18011	100.0
528.18353	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	526.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55339	0.7
57.03339	1.1
59.01249	4.8
59.40600	0.7
61.98708	1.6
71.01259	40.4
71.04900	6.1
72.00809	1.0
72.01627	0.7
72.99192	4.2
73.02845	1.4
81.88789	0.8
85.02838	2.4
87.00741	3.5
88.03908	6.8
89.02351	2.8
99.00780	2.5
99.04432	1.7
101.02353	1.0
108.02132	1.0
109.02850	1.2
111.00774	0.9
113.02357	3.1
114.05512	1.1
116.07071	0.9
117.03387	2.3
119.04881	1.2
121.02773	0.8
128.07111	1.7
130.08673	0.8
132.02087	2.0
133.02821	0.9
134.03641	26.4
135.04486	3.8
137.02350	0.9
144.02913	0.8
146.08144	51.9
147.04457	1.3
147.08513	1.2
149.05957	4.4
160.01575	7.9
161.02365	2.8
163.03972	1.9
170.08139	1.8
175.03937	6.6
178.02669	1.1
179.03447	5.0
186.07660	1.1
187.01517	1.2
191.05676	1.3
193.05006	11.5
193.06581	1.2
200.09354	1.0
201.01695	0.7
218.10417	1.7
233.10233	2.0
255.07777	2.0
257.05688	0.8
260.11740	1.1
261.11664	0.8
278.12442	8.1
278.42175	0.8
283.07205	8.0
284.07666	0.7
313.03528	0.9
322.35419	0.7
326.09131	2.3
332.13522	12.0
333.13788	1.0
350.14581	100.0
351.10977	1.3
351.14859	9.1
360.17398	0.8
450.16745	8.6
451.16858	1.5
526.19135	35.6
527.19434	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01962	0.2
57.32382	0.2
59.01256	1.3
61.98689	0.2
71.01247	1.7
72.99175	0.4
73.02843	0.3
76.31761	0.2
77.03847	0.4
85.02834	1.1
87.00762	1.4
89.02311	0.3
93.03333	0.6
95.01276	0.3
97.02817	0.4
98.19771	0.4
99.00783	0.7
101.02338	0.6
108.02071	0.2
109.02846	0.3
111.00800	0.2
113.02340	1.9
121.02844	100.0
122.03172	4.4
122.64973	0.2
123.04402	0.2
125.02361	0.4
134.03636	0.2
137.02287	0.2
143.03416	0.5
146.03587	0.2
147.04381	0.3
149.05983	0.4
159.04495	0.2
161.04460	0.7
161.05704	0.2
163.03918	0.4
173.04485	0.3
175.03966	0.3
181.67349	0.2
193.05002	0.5
299.01852	0.3
333.12000	0.3
341.10220	0.2
342.11108	0.3
405.14008	1.8
406.14200	0.2
527.15491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01585	2.2
55.01892	3.1
57.03146	1.8
57.03463	2.9
59.01054	1.8
59.01390	3.1
61.98501	0.6
61.98830	0.8
65.22698	0.3
71.00976	1.5
71.01417	3.7
71.04999	0.7
72.98954	0.5
72.99317	0.7
73.02962	0.8
75.00439	1.1
75.00919	3.1
83.01391	0.5
85.02457	0.6
85.03010	2.2
85.06612	0.6
87.00941	1.1
89.02518	1.6
93.03493	0.4
95.01416	0.4
98.19778	1.1
99.00948	1.0
101.01801	0.6
101.02527	3.7
109.02960	0.6
113.02555	1.5
118.58730	0.4
119.03525	0.8
121.03072	1.1
123.00967	0.7
123.04549	0.5
124.01704	0.3
125.02519	0.4
125.09783	0.5
127.11365	0.5
129.02031	2.3
135.04561	0.3
137.02533	0.6
147.01888	0.4
147.03131	3.8
147.04636	0.5
153.02032	0.8
159.03490	0.4
159.04671	1.3
161.04692	0.5
161.06160	0.4
163.04103	0.7
165.04178	0.6
171.10194	1.9
173.04684	0.5
173.06178	0.5
175.04109	0.5
183.13841	2.6
191.05653	0.5
193.05147	0.5
198.03329	0.4
201.15114	0.9
214.02782	0.4
219.03070	0.4
232.04926	0.4
240.04300	0.4
243.16174	1.0
261.05685	0.5
263.07278	0.5
267.06671	0.4
270.01541	0.7
277.05093	0.5
279.06711	0.8
280.07382	0.5
285.04211	1.2
287.22546	0.3
295.09650	0.4
297.11404	0.5
306.05624	0.4
307.06271	0.9
311.22473	0.6
313.03516	4.9
316.57758	0.3
319.11996	0.9
321.07819	0.7
323.09247	0.7
327.05362	0.4
327.25394	0.5
328.05905	1.9
329.23318	3.6
330.23587	0.5
339.25803	0.5
343.08188	8.4
357.26505	3.7
358.26825	0.4
361.16534	0.5
361.29568	1.5
373.25909	0.9
375.27509	100.0
376.27853	14.6
393.06000	0.5
523.22321	1.3
523.30945	41.1
524.31433	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	526.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24752	0.4
54.53490	0.4
59.01252	1.9
61.98703	100.0
64.82987	0.4
69.03334	0.7
71.01259	0.8
85.02831	0.5
87.00763	1.7
89.02335	0.4
93.03330	1.0
94.56725	0.4
94.96296	0.4
101.02362	0.7
108.02077	0.4
109.02826	0.8
110.67641	0.3
113.02357	0.4
119.04893	0.5
121.02893	1.0
134.25066	0.5
135.04413	1.9
136.04829	0.9
137.02336	2.6
138.02702	0.5
147.04437	1.3
151.00311	0.4
152.00838	0.4
161.02383	0.4
175.03932	0.5
193.04987	0.5
211.13483	0.5
301.10797	1.1
302.11154	2.4
303.11475	2.1
304.11627	1.9
511.10065	0.5
526.17889	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49583	0.5
55.01566	1.5
55.01869	4.3
57.03130	0.9
57.03438	1.9
59.01032	2.7
59.01369	8.9
60.44634	0.4
61.98804	0.5
64.10228	0.4
71.00958	1.4
71.01392	4.9
72.99294	0.6
73.02951	1.3
75.00423	0.8
75.00890	4.5
83.01375	0.9
83.05061	0.5
85.02979	2.3
87.00921	1.6
87.04514	0.7
89.02477	3.3
95.01481	0.4
95.98051	0.4
97.02963	0.6
97.06583	0.4
99.00925	0.9
101.02499	3.7
109.02977	0.7
113.02499	2.1
117.03576	0.5
119.03554	0.8
123.08226	1.2
125.02520	2.6
125.09734	0.7
126.02822	0.8
127.02875	0.5
129.02011	2.1
133.06657	0.7
134.03825	0.5
137.02481	0.9
139.11391	0.7
143.03568	0.5
143.10835	0.8
145.03014	0.8
147.03090	4.7
147.04584	0.7
150.61232	0.4
157.12399	1.1
160.01649	0.7
161.04649	1.2
165.03966	3.9
169.12378	0.9
171.10364	0.8
173.04671	0.7
175.04042	0.5
178.86386	0.4
179.05655	0.5
185.11948	1.3
187.04103	0.5
188.03633	1.5
193.05142	0.5
201.11414	0.5
211.13515	0.5
215.13002	0.6
227.13011	0.6
229.12320	1.0
251.20239	0.8
301.10754	0.6
307.10739	0.5
313.03827	0.5
318.29666	0.5
325.49951	0.5
329.23386	2.6
339.25226	0.4
343.08325	1.0
343.15518	1.3
357.26447	4.8
361.16565	3.2
361.29495	1.2
373.25946	3.0
374.26501	0.7
375.27512	100.0
376.27844	12.7
393.11179	0.4
479.19485	0.5
496.84039	0.4
502.12167	0.4
523.23315	1.9
523.30969	41.9
524.23846	0.5
524.30890	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	523.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
60.78419	0.3
65.03833	0.8
67.01763	0.4
70.68934	0.8
71.01268	0.4
76.47161	0.3
87.37643	0.3
91.05409	3.2
93.03345	1.1
108.02065	1.2
109.02840	14.2
110.03086	0.3
121.02856	2.7
123.04382	0.5
135.04416	41.2
136.04747	1.8
137.02344	0.6
138.03140	2.3
139.03853	0.5
147.04420	9.1
148.04872	0.3
149.02383	1.0
151.03928	1.0
152.04730	0.3
153.05473	5.9
154.06041	0.3
161.05905	0.3
163.04071	0.3
164.04709	2.2
177.05524	0.9
179.07060	4.9
203.06984	0.4
209.05894	0.4
210.06749	0.5
212.04774	1.1
216.07881	0.4
225.09099	0.5
226.06155	0.3
227.07027	2.0
229.04968	0.8
231.10405	0.3
233.11728	0.5
242.09518	0.5
244.07442	0.4
253.05005	0.6
254.05832	2.7
255.06470	1.3
256.03732	0.5
268.07629	0.3
269.08170	5.0
270.08591	0.8
271.06253	1.6
271.10074	0.3
286.08426	1.0
301.10803	100.0
302.11148	11.1
528.78058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2187
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01768	2.5
57.03310	1.2
58.00462	1.2
59.01252	22.5
67.01744	0.4
67.44099	0.4
69.03336	0.4
71.01251	18.2
72.01563	0.4
72.99163	1.2
73.02810	3.7
75.00731	0.8
83.01254	2.9
85.02830	6.8
87.00754	3.1
89.02312	7.5
93.03338	1.6
95.01250	1.2
99.00756	2.1
101.02325	13.1
105.03280	0.5
108.02039	1.7
109.02834	6.2
111.00783	0.7
113.02339	5.6
119.03391	4.1
119.04892	0.6
121.02840	12.5
122.03637	12.9
123.00793	0.5
123.04484	2.2
124.01540	1.1
125.02319	0.5
129.03307	1.1
134.03618	1.0
135.04405	1.8
136.05176	1.5
137.02347	2.8
143.03351	0.4
146.03598	1.0
147.04425	8.2
148.05113	0.6
149.05934	1.9
150.03079	0.5
152.01089	0.9
153.01787	0.9
154.02647	2.0
159.02916	0.7
159.04372	0.8
160.05186	0.4
161.02254	0.4
161.04625	0.9
161.05978	2.8
162.06729	0.8
163.03894	0.8
164.04678	0.9
165.05484	23.3
166.05800	1.1
172.05095	0.5
173.06017	0.9
175.03819	0.5
175.07581	0.7
176.08267	0.4
178.06218	0.8
179.05507	0.6
179.07050	6.8
191.07036	1.7
193.05106	0.4
193.08513	0.5
209.08177	0.7
209.11874	0.4
223.09601	0.5
238.98595	0.4
285.11188	0.7
293.07990	0.5
298.11996	0.6
313.14484	1.5
315.12448	1.9
316.12961	0.8
328.12943	1.9
329.13693	0.8
343.15417	5.2
346.14212	7.5
347.14688	2.8
361.16544	94.2
362.16895	11.6
451.09442	0.5
508.18762	0.7
523.21838	100.0
524.22192	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.00984	0.3
59.01252	2.6
71.01251	1.9
73.02807	0.6
75.00722	0.5
85.02806	1.3
87.00772	0.8
89.02299	1.3
93.03333	1.4
98.19811	0.6
99.00766	0.6
101.02305	1.1
108.02059	0.5
109.02839	4.2
111.00785	0.4
113.02339	0.7
117.00857	0.3
121.01959	0.6
121.02841	11.3
122.03650	9.3
123.04466	1.6
124.01539	1.8
125.02374	0.6
129.03380	0.6
134.03598	1.0
135.04388	1.7
136.01561	0.4
136.05171	1.2
137.02351	2.8
138.47035	0.4
146.03641	0.6
147.04424	6.2
148.05153	0.6
149.04477	0.6
149.05956	1.2
150.03116	0.3
151.03937	0.7
152.29768	0.3
153.01865	0.5
154.02650	1.5
159.04410	0.3
160.05191	0.5
161.04718	0.4
161.06003	1.7
162.06699	0.3
163.03920	0.9
164.04691	0.4
165.05482	25.5
166.05800	1.3
173.04576	0.3
173.05992	0.4
175.07597	0.4
178.06281	0.4
179.07053	7.5
183.44365	0.3
191.05489	0.4
191.07108	0.4
193.04871	0.7
204.05421	0.3
209.08167	0.9
218.44695	0.3
223.09764	1.6
286.81937	0.3
298.12106	0.6
301.10675	0.4
313.14398	1.2
315.12457	2.8
316.13065	0.8
324.63763	0.3
331.15109	0.5
343.15674	0.6
345.13354	0.5
346.09909	0.5
346.14182	10.2
347.14517	1.3
361.16559	100.0
362.16891	13.3
362.21393	0.6
383.37784	0.4
523.11548	0.6
523.27850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.1
60.76078	2.2
71.01237	4.6
75.00739	2.2
82.45583	2.1
87.00759	6.8
91.05421	6.8
93.03334	2.1
109.02833	14.2
115.44477	2.2
121.02806	6.0
135.04422	75.2
136.04756	3.9
137.02396	3.2
142.05688	2.1
147.04430	8.2
149.05997	3.5
151.04004	2.9
152.91054	2.5
153.05405	2.8
164.04677	3.1
173.04547	2.2
177.05466	2.4
179.07072	5.7
187.49971	2.2
223.62955	2.0
239.31746	2.1
301.10815	100.0
302.11163	9.7
337.65298	2.4
351.84528	2.4
458.73465	2.6
463.16214	6.3
522.33612	9.6
523.33527	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	522.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.9
59.01251	9.2
59.41429	0.9
59.98395	1.3
69.03303	1.0
69.38329	6.9
71.01253	8.0
72.99189	1.5
73.02830	2.5
75.00735	1.9
79.67570	0.8
79.88254	0.8
83.01272	1.2
84.02061	3.6
85.02838	6.4
87.00747	4.0
89.02321	3.4
93.03354	1.8
95.01286	0.9
99.00780	2.8
101.02330	3.5
108.02027	2.0
109.02849	1.7
111.00784	3.8
113.02333	2.5
119.03378	1.4
120.05164	0.8
121.02843	1.9
123.04413	1.6
125.02331	2.1
127.36790	0.8
128.01050	9.5
129.01837	4.1
134.03612	1.4
137.02318	2.3
139.03922	1.0
145.02844	1.4
149.04610	0.7
149.05969	3.4
153.01759	1.1
158.03636	2.6
160.01549	1.7
161.02388	7.6
163.03900	1.7
165.05467	2.1
171.04465	1.1
172.05220	15.7
173.02338	1.3
173.04468	1.5
173.05801	1.2
174.03189	2.0
175.03946	3.3
176.04427	0.9
183.04448	15.7
183.10191	3.2
184.04883	1.6
184.10657	1.0
185.06020	27.3
186.03152	5.6
186.06450	1.2
187.03934	5.9
190.02594	1.1
191.03438	1.1
191.05502	2.1
193.05005	2.5
196.05223	1.7
197.06030	7.8
198.06792	4.1
199.07591	5.1
209.11787	7.1
210.12157	2.3
211.07564	4.6
213.09167	1.9
223.07730	1.1
227.10768	2.7
237.03911	1.5
241.12346	1.5
255.13914	1.9
267.13895	8.2
281.11829	1.3
283.13422	3.8
297.18585	2.9
299.12930	7.0
300.13678	42.1
301.03027	1.4
301.14340	17.9
302.03006	1.0
305.15524	3.2
323.16550	18.4
324.16873	2.5
341.17566	72.7
342.17877	7.5
361.16653	3.0
367.15475	4.9
373.20172	2.4
385.16528	27.7
386.16928	4.2
391.23190	1.4
411.14444	6.2
417.19232	13.6
418.19519	1.6
429.15436	7.1
443.16974	6.7
461.18195	100.0
462.18591	16.4
512.00745	0.9
522.22906	4.5
523.13635	1.3
523.20477	4.5
523.27942	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.2
57.03323	9.3
57.35963	0.8
58.00478	3.3
59.01257	79.4
60.01586	1.3
69.03320	1.6
69.44215	5.3
69.44626	1.8
71.01259	73.4
72.99187	4.6
73.02828	12.1
75.00758	1.5
77.57624	0.8
81.85701	1.1
83.01266	6.7
85.02828	23.1
85.06474	1.2
87.00761	8.3
89.02327	47.6
93.03354	2.0
93.07012	3.0
95.01259	5.8
97.06467	1.3
99.00754	6.8
101.02330	56.9
111.08024	1.5
113.02345	27.4
119.03398	23.9
125.02368	1.6
129.01776	1.7
131.03403	3.6
135.04451	1.4
137.02356	2.8
143.03435	5.3
143.10718	3.3
146.03659	1.4
147.04459	3.1
148.05228	1.0
149.04504	2.1
149.06030	1.3
151.45992	1.1
152.10365	1.0
155.03360	1.2
159.02922	3.9
159.04417	0.9
159.66501	1.0
160.01694	0.9
160.05272	1.1
161.04483	15.2
161.05843	2.0
163.03845	1.0
173.04552	2.0
173.06018	3.0
179.05554	8.4
187.03864	1.6
187.07614	1.6
189.05566	2.5
192.04268	1.1
193.05013	1.0
193.12222	1.1
201.05467	1.9
215.07089	1.1
216.07864	1.4
219.69794	0.9
229.18073	16.3
242.01666	1.0
291.14615	3.2
292.06409	0.9
297.15146	5.9
315.16327	1.3
317.10330	1.9
323.16473	4.4
341.17685	7.1
342.18323	1.2
359.18637	1.9
359.28049	24.4
360.28439	2.6
366.05914	1.3
373.25928	8.8
374.26157	1.6
375.16815	2.2
385.16714	2.0
391.23105	1.3
403.17651	2.0
417.42416	1.0
433.22696	1.4
477.21338	4.2
521.20374	11.9
521.33435	100.0
522.20941	2.1
522.33698	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23452	0.4
55.01757	4.2
57.03326	5.1
58.00457	1.5
59.01254	28.4
61.98695	1.8
68.99686	0.6
69.03333	0.8
70.94085	1.0
71.01255	39.1
72.01585	0.5
72.99184	2.5
73.02821	14.4
74.03134	0.5
75.00735	2.4
81.03333	0.7
83.01255	7.0
83.04879	0.5
85.02826	19.9
85.99967	0.8
87.00755	5.5
89.02316	7.7
93.03331	1.4
93.06980	4.2
95.01271	3.6
97.02822	1.2
99.00765	6.3
101.02325	35.7
102.02667	0.9
108.02105	0.4
109.02891	0.9
111.00768	5.2
113.02332	16.7
119.03389	2.6
119.04856	0.5
121.02835	0.5
123.04466	0.8
125.02340	1.6
129.01826	1.7
131.03377	1.0
135.04388	0.6
137.02370	4.3
139.03920	0.5
141.01813	0.5
143.03401	1.7
143.10645	0.9
145.02950	0.5
147.03188	0.4
147.04356	2.3
149.02405	0.4
149.06017	1.1
151.03885	0.7
152.01031	0.6
153.01898	0.7
153.77376	0.5
159.02914	3.9
160.05206	0.5
161.04469	12.0
162.03267	0.4
163.00232	1.0
163.03922	0.7
165.03978	0.5
165.05492	0.7
167.03395	0.9
173.05934	0.6
175.03860	0.8
178.73409	0.4
179.03432	1.5
179.05498	1.2
191.05537	1.0
193.04979	1.0
199.17070	0.7
216.07852	0.6
227.12898	0.8
229.18048	9.4
230.18411	0.6
233.31790	0.5
241.05203	0.9
256.03586	0.6
297.15091	0.9
307.98019	0.5
313.23288	0.5
315.08389	0.5
315.15903	0.5
317.10229	0.8
323.16455	1.3
329.26669	0.8
341.17697	1.9
343.08459	0.5
359.18607	0.7
359.27991	8.1
360.28360	0.9
373.25873	2.6
391.23346	16.8
392.23746	1.9
461.31320	1.2
462.32169	0.6
477.12076	1.4
477.21432	1.0
479.09665	0.8
485.31027	0.9
491.32181	1.3
503.32401	1.0
521.33325	100.0
522.11517	0.6
522.21948	0.9
522.33698	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	521.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.9
57.03329	3.8
58.00463	0.7
59.01252	15.2
61.98703	3.1
69.03321	0.9
71.01251	13.4
71.04881	0.7
72.01581	0.6
72.99187	1.0
73.02808	2.8
75.00744	5.2
83.01257	1.7
83.04877	1.2
83.16114	0.5
85.02831	5.6
85.06451	1.0
87.00771	2.9
87.04404	0.6
89.02316	10.6
93.03356	0.7
93.06975	1.5
95.01261	1.1
95.04910	0.6
97.06464	1.1
98.19838	1.1
99.00745	1.4
101.02322	10.2
101.02987	0.5
109.02842	1.4
111.00784	0.8
111.08089	0.5
113.02342	5.2
119.03397	4.2
119.04885	1.0
121.02854	2.7
123.04403	1.1
123.08047	1.0
125.02342	0.6
125.09576	1.9
129.01862	2.8
131.03456	0.6
134.03610	1.3
135.04428	1.5
137.02380	3.9
137.09616	0.5
139.03920	1.0
143.03354	0.8
146.03625	0.8
147.02898	5.0
147.04416	9.7
148.05196	2.5
149.02351	0.7
149.04558	0.6
149.05971	1.3
150.03107	0.5
151.00360	0.6
153.01849	0.6
155.14319	0.8
159.03055	0.8
159.04416	5.6
160.05196	1.4
161.04694	2.4
161.05794	2.2
163.00319	1.0
163.03957	1.1
165.03995	0.8
165.05492	0.7
171.10176	1.7
171.36519	0.5
172.05215	4.0
173.04570	0.8
173.05991	8.4
174.03169	1.4
174.06718	2.6
175.03935	1.6
176.04643	0.8
177.01831	0.5
177.05486	0.6
179.03395	0.6
179.05573	1.7
183.13875	1.7
185.06009	1.4
185.11726	0.6
186.06773	2.0
187.03969	3.0
187.07552	3.0
188.08313	0.7
189.05460	3.8
191.03384	0.8
191.05562	0.6
192.04218	1.4
193.05017	2.6
196.05264	0.7
197.06023	2.7
198.06810	1.7
199.07552	1.2
199.13350	0.7
200.04730	0.9
200.08342	1.6
201.05524	3.9
201.09132	0.7
201.14922	0.5
207.02876	0.6
211.07603	1.4
211.13347	1.6
212.08310	1.0
215.07072	2.3
216.07828	4.4
225.09123	0.8
225.11325	1.2
225.14944	0.6
229.18091	1.1
237.82187	0.5
241.12225	0.8
241.14474	0.7
243.15979	12.3
244.16350	1.0
255.05150	0.8
255.13841	0.8
257.15552	0.7
260.06824	1.2
282.15619	0.5
283.13379	1.4
285.14944	2.0
292.09766	0.6
295.16980	0.6
297.14969	13.6
297.18338	1.0
298.15283	2.1
300.13699	1.6
301.14383	0.7
311.12943	2.5
312.13513	0.7
313.17911	1.0
313.23724	1.1
315.16010	5.9
316.16348	0.8
317.06165	1.0
317.42230	0.6
323.16507	14.0
324.16913	1.9
325.23914	1.1
327.21796	1.3
329.14059	1.2
341.13364	1.0
341.17535	19.5
342.17950	2.5
343.24899	8.4
344.25165	0.7
355.24905	3.0
359.18631	7.9
359.27997	4.4
360.19019	1.0
366.05759	0.6
373.25937	100.0
374.26251	12.2
385.16608	5.5
386.16922	0.8
389.19559	0.9
392.18277	1.0
403.17630	4.0
404.17807	0.5
405.25452	0.6
415.21310	1.2
433.22296	2.6
434.22986	0.8
459.20313	0.5
477.21362	11.3
478.21732	1.8
503.19617	1.0
521.12994	0.9
521.20349	23.2
521.29773	44.0
522.12585	0.6
522.20770	5.5
522.30096	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03335	2.1
58.00479	5.4
59.01254	100.0
60.01605	1.4
69.03336	2.3
71.01258	75.9
71.54073	1.4
72.01572	1.1
72.99191	7.5
73.02830	4.2
74.02316	1.1
75.00764	2.7
81.03350	1.7
83.01272	3.9
83.04920	1.1
85.02832	14.0
87.00758	9.3
89.02322	86.0
90.02652	1.7
93.03337	7.3
95.01286	4.4
97.02836	1.9
99.00772	2.2
101.02331	48.8
102.02692	1.5
108.02057	36.9
109.02847	14.3
111.00742	1.5
113.01546	1.1
113.01775	0.7
113.02336	32.0
119.03399	43.3
119.04829	2.1
121.02866	4.6
122.03614	3.1
123.00806	1.3
123.04394	4.4
125.02319	5.3
131.03384	5.9
132.02095	1.1
134.03629	3.2
135.04376	2.3
137.02335	3.3
137.05899	1.1
139.00285	1.1
139.03871	1.0
143.03444	7.8
145.02937	2.0
147.04431	2.7
149.02359	10.1
149.04480	4.2
149.05914	2.0
150.03165	2.4
151.03922	2.3
152.01056	50.4
153.01868	18.4
158.03622	1.1
159.04422	3.8
160.01588	1.6
160.05223	7.9
161.02417	2.2
161.04495	7.3
161.05775	1.6
162.03162	1.4
163.03952	3.7
164.04716	6.7
165.01837	1.0
165.05482	1.6
166.05034	1.0
168.04718	1.0
171.04390	1.2
172.05203	4.6
173.04494	9.1
173.06032	3.8
174.03156	1.4
175.00279	3.9
175.03931	3.3
175.07564	3.5
176.01057	3.1
177.01871	2.2
178.02557	1.5
179.03488	1.8
179.05539	16.8
179.07004	1.9
183.87820	0.9
187.07649	2.7
189.05507	8.5
190.02634	12.0
190.06291	8.8
191.03429	8.2
191.05396	2.0
192.04147	1.6
193.01262	0.9
193.05035	4.5
203.07053	0.9
205.05028	9.4
205.08592	7.7
209.04515	1.8
209.11807	8.5
223.06160	4.2
225.11331	1.2
227.12930	2.5
264.07703	1.3
281.08203	2.3
283.02454	2.6
284.03296	5.5
296.10590	6.0
297.06430	2.4
299.05618	9.2
300.05905	1.6
308.10355	1.0
311.09332	0.9
311.12875	4.2
317.06845	1.0
329.13989	3.5
341.09891	2.0
341.13947	31.2
342.14371	5.0
347.24356	3.5
353.08783	3.9
359.07681	2.5
359.15027	2.0
442.38150	0.9
461.10968	1.4
461.31918	2.0
479.32779	1.1
521.12939	51.7
521.21283	13.2
521.29840	3.7
522.13623	10.5
522.21167	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	521.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00362	0.2
55.01816	5.2
57.03074	0.3
57.03381	4.5
59.01309	5.3
69.03377	0.6
71.01327	5.4
71.03089	0.5
71.04959	0.3
72.99217	0.5
73.02822	1.9
75.00754	3.9
81.17334	0.3
83.01336	0.7
83.04955	0.4
84.90343	0.2
85.02828	2.5
87.00832	0.9
87.04427	0.3
89.01807	0.3
89.02319	4.3
93.03400	0.4
97.02896	0.3
97.06555	0.7
99.00848	0.9
101.02328	3.6
107.04995	0.9
109.06529	0.3
111.00823	0.3
111.08137	0.8
111.16019	0.3
113.02421	1.1
113.06088	0.4
119.03499	0.9
121.02950	0.9
122.03714	1.0
123.08144	0.8
125.02347	13.1
125.09621	2.9
126.02718	0.4
127.11164	1.6
129.01912	0.9
131.03470	0.3
137.02457	1.1
137.09615	2.2
141.09189	0.5
143.10750	0.5
147.02994	4.5
147.04494	1.1
149.02451	0.3
149.04558	0.9
151.03996	0.4
153.09192	0.4
153.12851	0.4
155.10678	2.4
165.04077	0.5
165.12790	2.8
169.12352	0.3
171.10193	11.2
172.05421	0.3
172.10692	0.3
173.06154	0.3
176.01006	0.3
183.13840	10.3
184.14282	0.7
185.11812	0.3
187.04044	0.7
188.04710	0.7
189.05231	0.3
191.03540	0.7
191.05602	0.4
193.05046	0.3
199.13527	0.3
200.10698	0.3
201.14897	0.4
203.55702	0.3
211.13457	0.3
213.15068	0.3
227.12842	13.2
228.13376	1.1
229.08696	1.7
229.14418	0.7
229.18102	0.4
230.15259	0.8
243.16132	0.8
273.07758	0.7
285.20825	0.4
323.16486	1.3
325.23984	0.5
327.21936	0.7
341.17401	1.2
342.18115	0.3
343.24948	0.8
355.24823	1.5
359.18634	0.6
359.27960	0.9
371.24487	1.6
373.25946	100.0
374.26303	12.9
433.22330	0.3
477.13889	2.7
477.21091	0.7
478.14340	0.6
521.20844	1.6
521.29541	41.4
522.22247	0.3
522.29840	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60777	1.4
57.03328	3.9
59.01252	16.2
61.29113	1.5
64.79051	1.5
69.03316	1.9
69.81241	9.5
71.01257	8.9
72.41141	1.5
73.02863	2.1
74.90385	1.7
75.00772	1.4
85.02832	3.4
87.00767	4.2
88.14299	1.8
89.02310	3.3
101.02329	10.4
101.51175	1.6
111.00774	2.0
113.02309	5.3
119.03382	3.9
119.04922	3.6
123.04397	2.2
129.03453	1.8
133.02879	2.2
135.04362	2.4
137.02347	12.6
139.03931	2.4
144.05728	2.0
146.03654	1.9
147.04433	36.5
148.05183	9.2
159.04408	13.1
160.05151	5.5
160.30405	1.7
161.06024	10.8
163.03738	1.9
172.05174	13.6
173.06003	37.7
174.03123	5.3
174.06790	11.1
176.04686	3.8
183.04456	3.5
185.06024	6.0
186.06822	9.8
187.03978	7.4
187.07648	8.8
188.04628	2.2
188.08223	3.6
189.05502	15.4
191.03415	1.7
192.04199	4.0
193.05016	1.8
196.05270	2.3
197.06042	11.0
198.06781	7.4
199.07588	3.4
200.04768	3.3
200.08339	6.0
201.05521	15.7
201.09131	3.1
211.07635	3.6
211.13351	5.1
212.08345	2.7
215.07079	11.8
216.07870	18.4
236.03151	2.7
245.19666	1.9
255.13733	2.3
260.06842	2.3
271.13452	2.4
283.13351	5.7
285.14911	7.3
297.14984	56.9
297.18323	4.4
298.15326	8.7
300.13654	3.4
301.14395	3.3
311.12955	8.8
312.13159	2.1
313.18112	4.9
315.15991	21.1
323.16519	51.8
324.16861	8.6
325.14484	3.0
329.13992	4.3
339.16095	2.2
341.17572	73.9
342.17969	9.8
359.18610	32.3
359.27933	2.7
360.18954	3.8
367.15442	4.8
373.25659	2.6
376.55682	1.9
385.16611	21.2
386.17325	2.5
389.19620	4.8
392.18488	4.1
403.17505	20.5
415.21481	3.4
433.22327	15.2
434.22498	2.3
459.20425	4.0
477.15591	1.3
477.21286	54.8
478.21747	8.4
503.19611	4.5
521.20319	100.0
521.32489	15.0
522.20715	15.2
522.33606	3.3
531.95929	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.7
57.03322	8.5
59.01255	25.7
61.98710	4.0
69.03333	3.0
69.20164	13.5
71.01258	16.0
72.99158	1.5
73.02826	4.6
75.00750	4.5
76.81862	1.3
82.43432	1.3
85.02827	7.6
87.00757	7.2
89.02319	8.5
93.03332	2.5
93.06989	2.0
95.04899	2.2
97.06460	1.8
99.00734	1.6
99.04369	1.2
101.02327	12.9
107.65902	1.1
108.02040	1.7
109.02846	3.8
113.02328	5.8
119.03408	3.8
119.04936	2.8
121.02850	7.1
123.04378	1.7
125.09678	2.2
128.51147	1.2
129.01866	3.1
129.03287	1.5
130.04143	1.3
133.02879	1.5
135.04395	3.4
137.02359	8.0
139.03917	3.5
146.03604	4.7
147.02953	3.8
147.04434	40.6
148.05231	11.0
149.05977	2.6
159.04428	23.4
160.05238	6.1
161.02423	1.7
161.04611	2.9
161.05983	14.9
163.03917	2.8
171.04462	1.8
172.05223	19.2
173.05991	43.4
174.03157	5.8
174.06758	14.7
175.03955	5.4
176.04689	2.1
180.05788	1.6
183.04500	2.7
183.13828	1.8
185.06059	7.8
186.06815	12.5
187.03963	10.4
187.07541	10.8
188.04622	1.7
188.08334	3.0
189.05507	17.3
189.09093	1.7
192.04214	6.0
193.04971	2.5
196.05241	2.9
197.06036	17.0
198.06815	7.5
199.07582	4.3
200.04709	4.3
200.08377	7.1
201.05524	18.1
201.08946	2.1
209.06116	1.5
211.07607	3.7
211.13361	5.1
212.08331	4.3
213.09256	1.4
215.07047	14.6
216.07877	18.6
217.05095	1.8
218.05855	1.4
226.09941	2.9
227.10834	1.8
236.03264	2.1
241.12389	2.2
242.05818	2.0
243.16011	7.4
255.13869	1.9
260.06912	3.8
267.13843	1.5
269.15546	2.9
271.17133	2.0
279.17917	1.5
283.13486	8.6
285.15082	8.9
295.17029	4.0
297.14981	67.0
297.18298	3.7
298.15305	8.3
299.12912	1.5
300.13629	4.6
301.14319	2.1
303.16025	2.1
305.15366	1.4
311.12961	9.9
311.16217	2.7
312.13312	2.4
313.14038	1.5
313.17920	2.6
315.16034	20.0
316.16428	3.3
321.15015	1.4
323.16547	53.2
324.16931	7.8
325.14413	2.8
329.13913	4.1
341.17590	71.3
342.17920	11.1
343.24945	6.1
344.55844	1.3
355.24744	1.9
359.18643	29.6
359.27924	3.9
360.19003	5.3
366.05518	2.1
367.15668	2.5
373.25940	100.0
374.26202	8.0
385.16531	18.2
386.16791	2.2
389.19650	3.6
392.18335	3.9
403.17603	17.5
404.17957	3.3
415.21350	2.9
433.22211	11.8
434.23035	2.0
459.20236	3.5
477.11411	1.9
477.21326	50.3
478.21625	8.1
503.19370	4.4
521.20264	99.9
521.29669	33.2
522.20667	19.4
522.30054	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41221	1.0
57.03331	5.7
59.01257	13.1
68.93337	1.0
69.03320	2.3
69.12587	0.9
69.20297	12.4
71.01264	8.5
71.04871	1.2
73.02829	3.3
75.00742	1.3
83.01241	1.3
85.02828	4.8
87.00762	3.7
89.02316	4.6
93.03318	2.5
95.04928	1.4
99.00715	1.4
101.02324	11.7
109.02831	2.5
111.00812	1.4
113.02361	4.4
119.03429	2.0
119.04910	1.7
119.27310	1.2
121.02850	2.1
122.03662	1.2
123.04406	1.1
129.03387	1.3
133.02945	1.5
135.04459	3.3
137.02356	12.5
139.03908	4.8
146.03651	4.2
147.04422	39.8
148.05252	8.8
149.05943	2.3
151.03920	1.5
159.04416	18.1
160.05145	4.7
161.02400	1.7
161.04657	2.1
161.05997	8.8
163.03947	2.5
165.05428	2.0
167.03485	2.7
171.04524	1.6
172.05219	21.1
173.06009	45.5
174.03157	4.7
174.06764	11.8
175.03902	4.8
175.07489	1.2
176.02643	1.1
176.04738	5.5
180.05672	1.7
181.06409	1.2
183.04474	1.3
185.06041	7.5
185.11792	4.1
186.06837	11.5
187.03963	11.7
187.07573	11.1
188.04703	1.3
188.08305	3.2
189.05507	18.7
191.03426	1.6
192.04181	5.5
196.05293	2.4
197.06064	12.3
198.06798	7.5
199.07597	5.0
200.04727	6.1
200.08319	9.9
201.05513	16.3
201.09113	3.0
202.06039	1.8
206.02115	1.9
210.06857	1.4
211.04153	1.2
211.07582	3.4
211.13261	5.3
212.08296	4.1
213.05577	2.8
213.09091	3.3
214.06245	2.1
215.07083	14.5
216.07874	19.3
217.08344	1.9
218.05925	2.2
219.03093	1.3
225.09134	2.6
226.09874	1.5
236.03311	3.5
241.12366	3.1
242.05780	1.6
255.13876	1.8
257.15378	2.0
260.06927	3.6
269.15414	3.1
271.13574	3.1
271.17032	1.9
283.13406	11.4
284.13812	1.8
285.14951	9.9
289.14569	1.6
295.17081	2.7
297.14987	69.6
297.18134	2.6
298.15298	11.0
300.13684	4.1
301.14426	4.5
303.16055	2.4
305.15414	2.1
311.12903	11.9
312.13486	2.0
313.14597	1.6
313.18158	4.9
315.08832	3.4
315.16046	25.1
316.16382	4.1
318.14462	1.6
321.15091	2.0
323.16528	59.0
324.16821	7.3
325.14435	5.1
329.13968	6.1
339.16077	2.2
341.17575	88.0
342.17944	12.7
345.09692	1.5
355.24890	2.4
359.18625	32.8
359.28055	2.6
360.18961	4.9
367.15552	6.0
373.25891	3.7
385.16577	21.5
386.16968	3.5
389.19855	3.1
392.18433	4.3
403.17651	20.1
404.17929	2.7
415.21127	3.5
433.22388	12.4
435.13095	1.5
459.20346	3.4
460.21231	1.4
477.21320	53.8
478.21530	9.4
503.19537	5.6
521.20355	100.0
521.32538	10.1
522.20667	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
69.40963	0.5
69.41371	1.5
71.01259	0.3
87.00764	0.9
107.04904	1.6
108.02070	0.9
109.02842	4.1
119.04933	0.3
121.02848	0.7
123.00775	0.9
123.04413	13.5
124.01575	1.2
124.04761	0.4
125.02353	5.0
133.02849	0.3
135.04419	2.2
136.01566	0.8
137.02341	9.1
138.03166	2.2
145.02867	0.7
147.04477	0.4
149.02347	3.6
150.03139	2.6
151.03917	75.4
152.04239	3.1
153.05489	5.4
163.03929	6.8
163.05203	0.5
164.04701	5.2
175.03957	0.3
179.07065	10.7
180.07384	0.7
185.46510	0.3
213.05626	0.3
226.06267	0.5
241.05016	0.6
243.06441	0.3
267.06580	0.4
269.04507	1.1
270.05331	0.5
272.03369	0.3
284.06946	1.1
285.07706	1.0
287.05408	0.4
299.09378	0.6
302.07986	1.1
315.08820	0.7
316.09470	0.4
317.10287	100.0
318.10623	10.5
359.11060	0.3
461.14435	1.3
479.15601	1.0
521.16583	7.8
522.17157	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.8
65.03819	1.6
66.12767	1.2
67.27113	1.0
68.99669	1.9
69.29148	11.1
70.52508	1.2
71.01257	6.3
73.02815	1.3
79.05403	1.2
83.01297	1.0
85.02819	2.7
87.00745	5.3
89.02317	1.5
91.05412	7.2
93.03358	1.9
95.01280	2.1
95.04899	2.1
96.99168	4.0
99.00745	3.8
101.02345	1.8
103.05412	1.6
105.03356	4.0
107.04942	1.4
108.02032	2.4
109.02837	11.7
111.00801	1.8
113.02349	1.8
114.71321	1.2
119.04887	5.0
121.02840	12.9
122.03619	3.8
123.00796	3.9
123.04394	13.7
124.01546	10.7
125.02348	8.6
129.01813	2.0
132.65961	1.1
133.02847	5.7
135.04424	47.0
136.01570	2.1
136.04735	3.1
137.02350	51.4
138.02945	1.4
138.30527	1.2
139.00272	3.4
139.03922	15.9
141.41986	1.1
145.02850	2.8
146.03656	1.3
147.04422	57.9
147.05602	2.8
148.05228	30.3
149.02425	6.8
149.06041	6.0
150.03139	6.0
151.00317	6.7
151.03918	95.0
152.01051	2.7
152.04228	4.9
153.01820	9.6
153.05463	3.1
154.02596	3.4
161.02370	4.0
163.03931	11.4
164.04651	5.3
165.01903	7.6
166.02623	3.9
167.03365	3.4
168.62320	1.1
169.04951	1.8
173.06010	2.3
175.03914	5.0
177.01859	1.6
179.03444	2.7
179.07036	6.2
180.04205	4.0
183.04349	1.2
187.07451	1.5
187.59778	1.3
188.04678	1.6
191.03452	4.8
192.04222	40.1
193.04774	4.0
195.06557	2.8
201.05533	2.4
204.07956	1.4
207.02950	8.9
211.13432	2.9
213.05487	1.7
216.07759	1.5
224.03145	5.9
225.05391	1.5
226.06226	1.1
236.03256	24.5
241.04991	1.7
242.05627	1.6
243.06616	2.5
253.05020	1.6
269.04608	5.6
270.05341	22.0
271.05695	3.1
284.07095	2.9
285.07739	8.8
286.04709	2.8
286.08252	2.0
287.05658	11.0
299.09344	1.8
301.06802	1.9
302.07932	9.9
315.08679	2.6
316.09039	2.5
317.10291	100.0
318.10699	10.8
323.16513	2.5
341.17569	4.9
359.18500	2.4
359.28094	3.4
433.21948	2.1
461.14499	1.7
477.21143	5.1
479.15884	2.9
491.11774	1.9
503.19290	2.9
504.24829	1.6
504.74936	4.0
505.24750	1.9
506.14185	2.7
520.32886	1.6
520.75769	1.6
521.16376	11.8
521.20050	8.8
521.33075	20.2
522.18237	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	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03314	1.1
58.00454	0.3
59.01253	6.7
60.38482	0.2
61.98682	0.2
64.02243	0.2
71.01255	5.9
71.54350	0.3
72.99169	0.9
73.02821	3.7
75.00762	1.3
75.01122	0.2
83.01254	0.9
85.02826	3.0
87.00739	1.8
87.04432	0.2
89.02322	1.8
93.03339	32.1
94.03678	1.2
95.01278	0.6
97.02804	0.3
97.06483	0.5
99.00745	0.7
101.02332	3.7
103.98917	0.2
108.02045	0.5
109.02826	0.5
111.00743	0.4
111.08052	0.3
113.02321	2.4
116.64446	0.2
119.03390	0.8
119.04905	0.4
121.02834	0.6
123.04414	0.7
125.02341	0.4
125.09637	0.3
127.11163	0.3
135.04402	0.3
137.02347	100.0
138.02678	4.0
143.03503	0.2
146.03606	0.4
147.02898	2.2
147.04378	1.6
148.05185	0.4
149.02333	0.3
149.05983	0.9
150.03151	0.5
151.00259	0.3
151.03931	0.2
152.01117	0.4
152.07088	0.3
153.01797	0.4
159.02908	0.4
159.04396	0.5
161.04475	0.8
161.05820	0.5
163.03920	0.6
165.01810	0.3
165.03947	0.8
165.05440	0.3
171.10167	1.6
172.05186	0.4
173.06003	0.7
174.03029	0.3
175.03824	0.5
177.01917	0.3
177.05467	0.3
179.05550	0.3
186.06746	0.3
187.03940	0.4
187.07594	0.3
189.05597	0.7
191.03439	0.5
191.05444	0.4
192.04274	0.3
193.05035	0.8
197.05981	0.5
199.04205	0.2
200.08545	0.3
201.05475	0.5
202.02591	0.2
211.13278	0.3
214.06340	0.3
215.07053	0.2
216.07942	0.4
219.03008	0.3
229.18016	0.4
257.17612	0.8
258.01767	0.3
267.10352	0.2
269.10471	0.3
283.13324	0.3
284.02930	0.3
285.03992	0.6
285.15155	0.3
297.14853	1.3
299.02103	0.3
300.02890	0.2
301.03577	1.0
311.12833	0.4
313.03448	0.4
313.18097	0.3
315.05106	0.3
315.16058	0.3
317.05099	0.3
317.10272	1.1
323.16428	1.4
328.02182	0.6
329.03036	2.8
339.16183	0.3
341.17639	1.8
343.04526	0.5
343.08380	0.4
343.24866	0.3
344.05368	1.7
355.24893	0.9
358.06998	0.9
359.07697	5.7
359.18683	0.6
359.27988	1.1
360.08221	0.5
371.24640	0.5
373.25931	27.1
374.26340	1.7
383.13364	0.4
385.16528	0.6
401.14728	0.6
403.17548	0.5
431.26230	0.3
433.22229	0.4
445.53906	0.3
446.17401	0.2
459.20328	0.3
461.31406	0.4
477.21323	0.8
520.32190	0.6
521.12061	4.7
521.20190	1.5
521.30048	5.4
522.13129	0.5
522.19397	0.5
522.30011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65669	1.7
59.01254	18.8
65.86011	2.2
67.01769	1.7
71.01257	17.2
72.99184	3.3
73.02821	4.6
75.00756	3.7
76.69012	2.3
83.01257	5.8
85.02830	8.7
86.31676	1.6
87.00755	23.6
88.34475	1.9
89.02287	4.6
89.27676	2.0
93.03329	12.8
95.01315	2.1
98.29523	2.2
99.00782	3.6
101.02327	4.4
107.04913	2.3
108.02114	3.0
109.02821	11.0
111.00756	3.9
112.55825	1.7
113.02352	5.4
115.00252	35.3
115.03909	1.9
117.03374	2.6
119.04943	6.6
121.02840	6.4
122.03626	3.4
123.04417	28.5
125.02291	2.8
134.03677	4.3
135.04439	22.8
136.05148	4.2
137.02344	7.2
137.05984	8.0
139.00299	6.5
145.02864	8.0
147.04388	3.6
148.01573	12.1
149.02341	6.4
149.06003	3.3
150.03113	6.4
151.00269	2.3
151.03923	19.7
152.00920	2.3
153.01903	2.9
155.03427	2.3
157.01353	11.6
160.01637	4.7
161.02335	10.5
162.03130	30.0
163.03926	45.5
165.05469	8.2
167.03392	6.1
173.04442	2.7
174.05574	3.7
175.02425	61.4
175.03920	11.7
176.04381	1.8
177.01909	2.4
179.03375	5.3
181.04991	5.0
189.01854	4.8
190.02638	31.7
191.03442	39.2
191.05289	3.4
192.04115	2.2
193.04961	5.4
202.02667	2.2
203.03503	5.0
204.04146	3.1
204.21368	1.8
209.04515	19.6
220.03709	15.5
221.04510	18.3
227.07039	3.1
229.68932	2.0
239.05597	6.1
241.08861	2.2
243.10272	4.7
269.08191	5.5
269.12997	8.7
271.09866	3.2
273.07858	2.2
297.07611	13.7
297.12396	5.1
299.09253	4.6
307.08224	3.6
310.04892	2.1
313.11984	6.8
315.08752	100.0
316.08975	10.0
325.07590	2.9
327.08621	5.2
345.09769	41.7
346.09988	3.8
357.09787	2.9
371.12411	5.6
399.10840	5.7
409.14267	4.2
427.15088	5.6
429.13007	3.0
435.12955	2.8
443.40707	1.9
477.13898	5.9
521.23615	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03323	0.9
59.01252	100.0
60.01587	1.4
61.98717	0.9
69.07195	0.4
70.50996	0.4
71.01251	8.1
71.53567	0.9
72.99203	0.5
73.02819	2.7
75.00764	1.0
75.13169	0.5
83.01285	1.2
85.02843	3.3
85.03296	0.5
85.48245	0.5
87.00749	3.3
87.04402	0.7
89.02321	2.5
93.03358	0.7
95.01253	0.6
99.00792	1.5
101.02316	4.3
109.02843	1.1
113.02324	3.1
117.03362	0.5
119.03412	1.0
121.02895	0.6
125.02355	1.3
133.02887	1.1
135.04462	1.1
145.02827	1.1
146.03670	1.0
147.04439	1.5
149.06020	1.0
151.03984	1.5
154.52567	0.6
161.04523	0.9
175.04016	0.8
177.01862	11.2
179.05588	0.6
188.04912	0.6
189.01872	0.8
191.03456	0.7
193.04982	0.7
211.13370	0.9
226.02321	0.6
241.01649	0.6
249.06203	0.8
267.07300	1.0
297.11475	0.8
298.01279	1.2
299.01981	0.7
313.03549	0.8
315.08875	0.9
321.04617	0.6
327.25574	0.7
343.08307	1.0
371.24524	0.7
399.23834	5.3
400.24417	1.0
417.24902	3.9
459.26221	2.1
489.04904	1.9
504.07364	0.7
519.09326	12.4
519.18036	0.7
519.24622	3.3
519.31720	4.3
520.09515	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61427	0.3
51.05511	0.3
58.46638	0.3
66.00783	0.3
71.53052	0.5
72.59962	0.3
78.95775	43.4
80.96380	1.3
87.00762	0.4
95.68141	0.3
96.96842	5.4
150.97951	2.1
152.99487	100.0
153.99802	1.8
171.00552	4.9
215.66098	0.3
216.17244	0.3
224.14458	0.3
242.98991	0.3
262.16919	0.3
279.23285	1.1
433.23584	22.1
434.23926	3.2
520.26837	4.1
520.33624	0.5
520.40704	0.3
520.72211	0.5
521.27972	0.6
521.34442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
61.98697	0.1
62.96267	0.3
70.54876	0.4
78.95777	44.0
96.96835	6.1
109.25934	0.2
126.37357	0.2
150.97951	1.5
152.99492	100.0
153.99835	2.1
160.76700	0.2
171.00546	3.8
235.15254	0.1
279.23291	1.3
379.83167	0.2
383.57919	0.1
409.88501	0.2
433.23599	21.7
434.23956	3.2
520.26904	3.6
521.26886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14234	0.4
58.37275	0.4
59.01258	1.3
61.98698	0.5
68.45109	0.4
71.53519	0.6
78.95781	64.6
79.95581	0.6
80.96406	1.0
96.96855	5.9
100.08909	0.5
104.64610	0.5
108.20314	0.4
150.97945	1.5
152.99500	100.0
153.99831	1.6
154.38124	0.5
171.00580	3.0
192.67723	0.6
279.23276	2.2
285.36481	0.5
433.23636	36.4
434.24023	5.5
503.17346	0.5
520.27148	3.8
520.33990	0.9
521.34784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76125	0.6
55.55585	0.6
59.01248	5.9
59.57074	0.6
69.03325	2.4
69.28662	3.2
69.29090	2.2
71.01265	4.7
71.85969	0.5
75.00729	0.7
76.09647	0.6
81.03306	1.1
82.26839	0.6
83.01271	0.8
85.02837	2.7
87.00773	1.2
89.02327	2.4
90.22827	0.6
91.05443	0.6
93.03325	1.1
95.01267	1.8
97.02844	1.0
99.00734	0.8
101.02317	2.6
107.01285	0.7
107.04884	0.7
108.02053	60.2
109.02863	20.1
113.02313	1.4
119.01244	0.8
119.03407	1.5
119.05006	0.7
121.02811	2.9
123.00748	1.9
123.04411	0.9
125.02341	2.5
132.02054	0.8
133.02800	0.7
134.03638	1.9
135.04425	1.7
139.03964	1.0
147.00832	0.9
147.04407	1.7
148.01607	0.8
149.02356	18.7
150.03081	2.2
151.00273	2.3
152.01059	80.0
153.01851	29.7
154.02214	1.5
160.01595	0.7
163.03918	2.3
164.04709	9.9
165.05220	0.9
166.99750	1.0
167.03423	1.4
173.04570	1.3
173.05960	0.7
173.66736	0.6
175.00301	8.2
175.03932	1.6
176.01070	5.9
177.01772	1.3
179.03448	0.8
179.07066	0.8
179.59088	0.6
189.01794	0.8
190.02647	22.3
191.03418	10.6
192.03896	1.0
193.01414	0.7
205.05011	13.8
206.05475	0.8
208.03581	0.6
209.04515	2.4
209.11743	1.8
223.04048	0.9
223.06078	7.4
224.06473	0.6
232.03705	0.7
255.02829	0.9
273.07800	0.7
283.02417	1.4
284.03323	4.1
297.06210	3.9
299.05615	6.9
311.16043	0.6
315.07526	2.2
338.06241	1.2
353.08737	9.7
354.09091	1.1
367.10260	1.8
461.10699	1.7
475.07477	0.6
498.64490	1.2
511.63724	2.4
512.13348	1.3
521.13000	100.0
522.13281	17.7
522.20728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03323	0.9
59.01252	100.0
60.01587	1.4
61.98717	0.9
69.07195	0.4
70.50996	0.4
71.01251	8.1
71.53567	0.9
72.99203	0.5
73.02819	2.7
75.00764	1.0
75.13169	0.5
83.01285	1.2
85.02843	3.3
85.03296	0.5
85.48245	0.5
87.00749	3.3
87.04402	0.7
89.02321	2.5
93.03358	0.7
95.01253	0.6
99.00792	1.5
101.02316	4.3
109.02843	1.1
113.02324	3.1
117.03362	0.5
119.03412	1.0
121.02895	0.6
125.02355	1.3
133.02887	1.1
135.04462	1.1
145.02827	1.1
146.03670	1.0
147.04439	1.5
149.06020	1.0
151.03984	1.5
154.52567	0.6
161.04523	0.9
175.04016	0.8
177.01862	11.2
179.05588	0.6
188.04912	0.6
189.01872	0.8
191.03456	0.7
193.04982	0.7
211.13370	0.9
226.02321	0.6
241.01649	0.6
249.06203	0.8
267.07300	1.0
297.11475	0.8
298.01279	1.2
299.01981	0.7
313.03549	0.8
315.08875	0.9
321.04617	0.6
327.25574	0.7
343.08307	1.0
371.24524	0.7
399.23834	5.3
400.24417	1.0
417.24902	3.9
459.26221	2.1
489.04904	1.9
504.07364	0.7
519.09326	12.4
519.18036	0.7
519.24622	3.3
519.31720	4.3
520.09515	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.0
59.01252	100.0
60.01561	1.2
67.01771	0.8
68.99677	0.9
69.25121	7.5
71.01255	16.0
71.04898	0.8
72.99187	2.2
73.02824	2.9
75.00746	10.0
83.01250	2.3
85.02825	14.8
87.00758	6.2
87.04393	19.3
89.02342	3.1
90.68440	0.7
93.03356	1.6
95.01283	4.4
97.06460	1.0
99.00751	6.0
101.02330	2.7
109.02827	1.2
111.00777	1.1
113.02335	20.8
115.00242	1.3
117.01804	1.2
119.04872	0.7
120.16735	0.9
121.51828	0.7
129.01837	0.8
134.71733	0.9
135.04437	1.0
151.00272	2.7
161.04469	3.9
173.04501	1.8
175.02452	1.3
177.01851	8.7
221.59399	0.8
231.05017	0.8
243.02948	0.9
249.06117	11.1
267.07199	11.9
268.07379	1.6
269.17596	5.4
270.18033	1.0
271.06274	1.2
299.01965	2.4
300.02673	9.0
301.03061	0.8
315.05115	13.4
316.05481	1.2
329.06696	0.9
371.24451	2.4
399.23868	13.8
400.24118	1.8
417.24756	3.0
459.09055	2.6
459.26013	3.2
480.47217	0.8
519.09814	7.4
519.24414	82.4
519.31061	3.9
520.10883	1.5
520.24847	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	519.2449
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01753	1.6
57.03313	2.6
58.00452	2.4
59.01257	47.6
66.09354	1.6
70.55266	5.5
71.01260	56.7
72.99175	3.8
73.02813	18.4
74.54287	1.5
75.00738	1.6
83.01254	4.8
85.02831	18.4
87.00748	8.1
89.02322	38.1
93.03356	3.9
95.01272	5.0
99.00759	42.0
100.01075	1.8
101.02325	29.9
108.02091	2.2
109.02827	7.7
111.00789	2.7
113.02341	30.5
119.03398	10.9
121.38468	1.4
123.04419	3.0
123.08051	8.6
125.02315	2.0
131.03403	5.9
137.02332	4.4
137.09657	3.0
143.03418	4.5
147.04420	2.2
149.04462	23.2
151.00320	1.9
151.03880	2.7
152.01035	3.1
153.01855	4.4
159.02928	2.6
160.01665	1.9
161.04468	23.8
163.11259	8.4
167.03412	9.4
173.04468	4.5
175.03809	2.2
179.05550	4.7
189.12779	18.5
191.05573	25.1
195.06557	1.4
207.13879	17.5
208.14188	1.8
225.14877	2.2
227.03345	1.7
233.06589	3.7
243.02788	1.9
271.02441	5.8
272.02917	2.6
282.01666	4.5
293.08817	1.6
299.02048	10.6
300.02661	11.1
315.05002	8.1
387.20306	9.3
438.09494	2.4
453.39700	1.7
466.06479	1.5
519.11969	31.4
519.24512	100.0
520.11444	6.4
520.24945	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	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56176	2.6
59.01257	32.4
65.03800	2.4
69.68855	5.8
69.69272	9.9
71.01260	8.9
73.02824	4.2
82.23022	2.7
82.32082	2.3
85.02840	6.3
87.00743	8.4
87.04352	2.6
89.02288	3.4
91.05424	6.3
98.20530	4.8
101.02330	6.5
103.02474	2.5
109.02834	33.6
113.02349	5.3
119.71725	2.8
121.02840	15.9
125.02325	3.0
133.02876	3.0
134.03653	6.7
135.04413	72.7
136.04692	5.3
137.02260	4.0
147.04384	15.4
149.02356	3.6
149.05998	18.7
163.03896	7.2
175.04018	2.4
177.01855	14.2
187.03944	4.9
191.03497	8.2
211.13150	3.2
220.07317	4.6
241.05099	3.4
242.08907	3.2
266.21692	2.6
271.09769	100.0
271.12741	5.8
272.10089	14.8
285.03967	2.9
313.03558	4.0
315.08810	4.9
343.08328	5.4
371.24365	9.8
475.15793	5.5
519.09454	8.8
519.18829	9.6
519.32056	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09250	0.7
52.04779	0.7
52.84609	0.8
52.93816	0.8
59.01247	8.4
61.98698	2.3
69.29108	7.6
71.01273	2.2
71.68147	0.8
75.00765	0.9
87.00764	1.4
87.82424	0.7
91.05412	3.6
93.03342	1.1
93.28519	0.8
97.02796	0.8
98.19831	1.9
101.02275	0.8
108.02067	3.0
109.02840	27.0
110.03182	1.3
113.02369	1.0
121.02821	6.5
123.04406	6.9
123.89391	0.7
125.02335	1.6
133.02869	1.9
134.03638	3.8
135.04416	30.4
136.04698	0.8
147.04419	7.9
149.02344	2.9
149.05974	8.7
177.01878	2.2
186.06914	1.2
197.05995	2.6
203.10793	1.3
205.66905	0.9
214.06287	1.5
223.13327	7.5
229.08595	1.7
238.06253	1.8
239.06946	1.3
241.05139	2.1
253.08728	3.0
255.10294	2.3
256.07339	2.5
271.09750	100.0
272.10114	9.3
315.08783	1.8
315.12192	1.1
335.49643	0.9
519.18335	2.1
519.31525	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00262	2.8
59.01256	11.1
65.03829	3.2
71.01257	5.0
75.00740	3.3
83.87653	2.7
87.00746	3.5
91.05399	6.8
93.03392	3.6
99.04399	52.7
109.02834	12.8
121.02897	8.4
135.04417	100.0
136.04770	6.7
137.02359	5.5
138.03134	6.1
147.04424	10.3
149.02303	3.5
149.05968	3.3
151.03899	6.5
153.05461	12.4
164.04701	6.7
173.05951	7.6
174.03142	5.8
175.07497	6.0
179.05608	3.0
179.06992	14.7
185.06009	4.1
187.03871	3.5
187.07617	2.8
189.05376	4.6
201.05560	8.5
202.06256	4.0
203.07036	6.8
209.38463	3.3
231.06612	7.4
301.10818	84.9
302.11194	8.1
341.13986	4.1
367.11786	20.0
368.12405	3.6
369.13412	10.1
397.12906	44.3
398.13199	6.4
415.14026	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	519.1512
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.34921	0.6
53.07911	0.7
55.01490	0.9
55.01761	16.4
57.03325	1.2
59.01252	18.7
69.95389	2.3
71.01255	12.5
72.99195	1.9
73.02811	1.2
75.00749	11.1
83.01260	0.9
85.02830	7.6
87.00758	4.0
89.02337	4.2
93.03338	2.7
95.01246	1.2
98.20432	1.3
99.00751	1.8
101.02332	7.2
108.02029	1.7
109.02838	1.1
113.02342	4.8
115.00283	0.7
117.01817	0.7
119.03403	1.5
119.04927	1.8
121.02864	4.2
121.62850	0.7
123.00782	1.0
129.01833	18.0
130.02142	0.9
135.04478	0.8
136.01555	0.7
137.02341	1.0
145.02826	2.2
147.02905	21.3
147.04361	2.3
148.03262	0.9
149.05946	1.0
150.23167	0.8
153.01828	0.9
159.04416	1.0
160.05138	1.2
163.00340	0.8
163.03922	1.5
165.03975	15.6
165.12753	1.8
166.04312	1.1
173.04478	1.8
173.05836	0.7
185.00937	0.8
187.07504	0.9
191.03418	1.4
191.05457	1.2
191.06984	1.5
192.04095	1.1
193.04962	1.3
195.07991	1.0
196.05051	1.0
201.05630	0.7
206.07344	1.1
207.08237	1.5
208.08691	0.7
209.06018	2.2
209.11746	1.5
211.07561	1.6
213.01727	0.7
214.02711	0.9
221.06032	2.1
222.06714	1.2
223.07617	2.9
224.04588	0.7
225.05505	1.6
226.02596	1.3
233.06189	1.0
234.06779	0.9
235.07584	3.1
237.05482	1.6
239.07152	7.1
241.05025	1.9
249.05696	5.6
250.06310	3.4
251.07108	17.4
252.07552	2.2
253.04750	0.8
254.02148	1.7
255.02977	2.1
261.05368	1.1
262.06363	3.1
263.07129	7.9
264.07855	4.4
265.05161	1.8
265.08591	2.7
266.05853	3.0
267.06631	30.2
268.04260	0.8
268.07056	3.2
269.04639	1.6
269.07684	1.2
271.02612	0.9
271.05905	1.0
277.04996	1.1
277.08420	1.3
278.05844	1.1
278.09406	1.1
279.06622	23.6
279.09680	0.8
280.07043	2.9
281.08154	1.0
282.08954	15.9
283.09305	1.8
285.04037	4.2
293.08228	2.2
294.05365	9.9
294.08987	8.1
295.06104	9.3
297.08090	1.3
297.11322	4.7
300.02722	3.1
300.06448	2.5
306.05267	1.1
307.06110	4.5
308.06763	3.0
309.07724	10.8
310.08423	4.5
311.05554	2.7
311.08939	0.8
314.04459	0.9
315.05142	2.8
315.08743	15.8
316.08994	1.9
321.07553	2.0
322.08386	10.7
323.05594	24.9
323.09064	2.7
324.05984	3.3
326.07935	11.6
327.08542	1.4
337.07251	2.5
338.07944	25.3
339.08435	2.9
341.10297	66.6
342.07156	0.6
342.10684	9.6
343.17493	1.5
345.22977	0.9
353.10306	100.0
354.10663	11.8
357.09573	1.8
371.11316	9.3
371.24423	0.8
372.11554	1.2
425.60513	0.7
459.25458	1.1
501.19537	1.5
519.14435	4.0
519.21149	23.0
519.28320	1.9
520.21729	3.5
520.27966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.8
62.43120	0.2
63.01351	0.2
65.03834	1.5
67.01768	0.4
71.01250	0.4
71.41515	0.3
73.62099	0.2
83.26601	0.2
87.00723	0.2
91.05412	6.0
93.03358	1.3
95.01258	0.4
98.58794	0.2
107.04888	0.3
108.02058	2.3
109.02837	27.3
110.03179	1.0
119.04945	0.3
121.02842	13.3
122.03646	0.4
123.04403	4.1
124.04799	0.2
133.02853	0.9
134.03627	5.6
135.04414	73.7
136.04744	4.1
143.22720	0.2
143.33170	0.2
147.04417	5.6
148.04822	0.3
149.05988	17.5
150.06287	1.0
159.04433	0.3
160.05156	0.2
163.03943	0.3
177.01836	0.3
186.06784	0.6
188.04692	0.5
189.05580	0.3
191.03418	0.3
194.07277	0.2
196.05078	0.3
197.06021	1.9
198.06328	0.2
199.03925	0.4
201.09103	0.6
203.07100	0.3
203.10733	0.6
211.07568	0.6
211.13409	0.2
212.08353	1.0
213.05576	0.5
214.06264	1.1
215.06902	0.2
223.13297	1.3
227.03566	0.3
227.06931	0.3
228.07996	0.2
229.08624	0.8
237.05521	0.3
238.06467	1.2
239.06943	0.6
241.04953	1.6
253.08701	1.7
255.06601	0.6
255.10533	0.3
256.07349	2.1
259.01776	0.2
271.09744	100.0
272.10092	10.9
313.10855	0.3
402.10291	0.2
415.13828	0.6
433.14798	0.2
475.16010	3.0
476.16385	0.6
510.39346	0.2
519.09918	0.3
519.18469	0.6
519.31439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.96815	0.2
55.01731	0.2
57.03320	0.5
59.01252	5.7
63.02262	0.9
65.00190	3.9
67.01768	0.3
69.03338	0.2
71.01259	2.9
72.99167	0.3
73.02812	1.2
79.43554	0.2
83.01252	2.9
83.04874	0.2
83.65919	0.2
85.02818	1.9
87.00760	2.2
89.02328	1.2
93.03315	1.8
95.01276	0.6
98.19849	0.7
99.00764	1.0
101.02325	1.4
107.00535	0.4
107.01267	6.5
108.01478	0.3
108.02121	0.3
109.02847	1.4
109.99981	0.4
111.00761	0.4
113.02325	1.1
117.03350	0.3
119.04912	2.5
121.02819	0.5
123.00747	0.6
123.04435	0.2
124.01552	0.3
125.02351	1.3
130.08669	0.2
133.02861	0.6
135.00780	0.4
135.04395	0.2
137.02313	0.8
143.03430	0.2
145.02855	0.4
146.03650	0.9
147.04422	0.7
148.01563	2.0
149.02310	0.9
149.05945	0.4
149.99518	0.3
150.03163	0.2
151.00272	18.9
152.00627	0.5
153.01831	0.2
158.03683	1.0
159.04422	1.3
161.02370	1.3
161.04437	0.6
161.05972	0.3
163.00275	0.7
163.03897	0.6
164.01070	2.6
164.53687	0.2
165.01782	0.3
165.03979	0.3
169.01309	0.9
171.04358	0.5
173.02312	0.5
173.04483	1.2
173.06018	0.6
174.03166	0.7
175.03917	0.9
176.01114	0.4
176.31792	0.2
177.01860	1.5
183.04387	0.7
185.02354	0.4
186.03114	0.4
187.03925	0.5
188.04703	0.5
189.01840	0.4
190.02629	1.5
191.03865	0.2
191.05505	1.1
192.03954	0.2
193.04994	0.4
198.03062	0.3
199.03984	1.5
200.04814	1.2
201.01859	1.2
201.05559	0.3
202.02623	0.9
203.03423	3.3
204.04063	0.6
205.01367	0.6
205.05081	0.3
207.13629	0.2
211.03940	0.6
212.04649	0.6
213.01831	0.6
214.02693	2.1
215.03499	1.1
216.00571	0.6
216.04118	1.0
218.02187	0.2
223.07570	0.2
225.14862	0.7
226.02664	0.8
227.03448	3.8
228.04178	2.5
229.01321	0.9
229.04851	0.4
230.02161	3.9
231.02928	2.5
232.03714	7.6
233.04054	0.4
238.02650	0.6
239.03441	0.5
243.02977	5.5
244.03560	1.3
247.05998	0.5
254.02132	0.4
255.02969	1.6
256.03732	3.6
257.00922	0.5
257.04163	0.4
258.01642	0.5
265.05084	0.2
266.05807	0.3
267.06818	1.0
268.07404	0.7
269.04565	0.3
269.07980	0.2
271.02487	29.2
271.06033	4.9
272.03067	4.0
272.06424	0.6
281.01041	0.4
282.01617	1.2
283.02426	1.0
283.09753	0.8
284.03128	0.3
299.01965	20.4
300.02725	92.6
300.99707	0.5
301.03088	7.6
313.03455	0.5
314.04300	1.2
315.05093	100.0
316.01697	0.5
316.05414	9.1
327.08862	0.5
339.15982	0.4
345.22662	0.3
353.06424	0.3
374.72882	0.2
387.20432	1.1
459.09256	0.7
475.12192	0.7
477.10580	0.3
490.32129	0.2
519.11444	36.8
519.24445	2.1
520.11798	5.0
537.92706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39892	0.7
59.01258	15.1
61.04843	0.7
71.01273	1.6
73.02833	1.1
81.03374	0.9
81.80476	0.8
85.02820	1.1
87.00782	1.6
89.02338	1.5
89.03833	3.6
93.03371	1.5
95.04909	1.1
101.02368	1.5
105.03349	6.1
107.01374	0.7
109.02837	2.6
121.02849	10.4
122.03619	3.2
123.04415	1.6
133.02866	4.6
134.03679	0.9
135.04431	4.5
136.05264	0.8
145.02837	1.0
146.03601	1.2
147.04399	1.8
149.02414	1.9
149.06009	2.5
161.02252	0.8
161.04556	0.9
177.01865	100.0
178.02251	6.1
180.04329	1.6
186.26245	0.8
187.04062	0.9
225.15056	1.6
227.03401	1.4
241.05020	1.0
254.02075	1.2
269.00748	0.7
270.01630	1.3
271.02399	1.0
271.09769	28.6
271.12723	1.4
272.10071	2.8
282.01978	1.0
284.03354	0.9
285.04095	2.7
298.01190	1.4
299.05280	0.8
312.02762	1.8
313.03510	5.7
327.01297	0.9
327.05054	1.2
328.05872	2.2
342.07449	1.8
343.08215	4.4
371.24561	1.1
395.68228	0.9
401.02841	0.9
405.15903	0.8
417.25006	1.5
457.01639	1.0
471.03323	1.0
489.04892	2.5
519.09326	59.6
519.24860	3.3
520.09637	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	519.1146
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.20461	0.1
51.96931	0.2
55.65487	0.1
57.03307	0.4
59.01252	10.6
61.98700	0.4
63.02263	0.4
64.99886	0.2
65.00196	2.4
67.81493	0.1
71.01254	1.9
71.04881	0.2
71.53044	0.2
72.99197	0.3
73.02797	0.5
81.03313	0.2
82.94498	0.2
83.01259	1.3
83.04912	0.2
85.02826	1.2
87.00745	1.0
87.04396	0.5
89.02307	0.5
93.03323	0.6
95.01263	0.5
98.19878	0.2
99.00746	0.5
99.04380	0.2
101.02343	0.7
107.01275	3.3
107.65856	0.2
109.02811	0.5
111.00765	0.2
111.04372	0.1
113.02320	1.1
119.04858	0.3
120.80589	0.1
121.02834	0.3
123.00771	0.5
124.01508	0.5
125.02288	0.7
127.80032	0.2
129.01738	0.2
133.02849	0.4
134.03648	0.2
137.02298	0.4
139.00250	0.2
143.04909	0.2
145.02859	0.4
146.04581	0.2
147.04395	0.4
148.01602	0.7
149.02345	0.3
149.05904	0.2
151.00276	10.6
152.01042	0.9
155.04929	0.2
159.04468	0.4
160.01570	0.4
161.02333	0.5
161.04466	0.4
162.03136	0.2
163.03888	0.3
164.01019	0.6
164.57951	0.1
165.01799	0.2
171.04456	0.2
172.05203	0.3
173.04417	0.4
173.05977	0.2
174.03156	0.3
175.03944	0.8
177.01826	1.8
183.04437	0.4
187.00250	0.2
187.03888	0.6
188.04631	0.3
189.01863	0.5
190.02647	0.6
191.05553	0.2
193.04996	0.4
197.05904	0.3
199.03886	0.7
200.04619	0.3
201.01839	0.4
201.05299	0.2
202.02702	0.2
203.03381	0.9
204.04202	0.3
205.05003	0.2
211.04002	0.4
212.04655	0.2
214.02708	0.4
215.03416	0.9
216.00580	0.3
216.04242	0.8
217.04979	0.4
226.02638	0.4
227.03464	2.2
228.04106	0.5
229.01476	0.3
229.04953	0.2
231.02951	0.6
232.03738	2.4
233.04167	0.2
238.02588	0.2
239.03310	0.2
241.05017	0.2
242.02174	0.2
243.02965	6.0
244.03423	0.7
245.04546	0.7
246.05222	0.3
247.06042	1.2
249.06235	0.3
255.02946	1.4
256.03656	0.9
257.04370	0.3
258.01697	0.2
267.07220	0.5
269.04572	0.2
269.17783	0.2
271.02499	3.2
271.05441	0.3
272.03116	0.9
282.01675	0.4
283.02399	0.8
284.03229	0.2
285.04086	0.8
297.04044	0.5
297.07651	0.2
299.01987	9.7
300.02740	58.3
301.03113	5.3
313.03610	1.7
314.04294	1.6
315.05103	100.0
316.05420	9.1
329.06653	0.3
343.08246	0.2
371.24368	0.6
399.23761	1.2
400.24039	0.2
411.16980	0.2
417.25006	0.3
436.30258	0.2
451.12573	0.2
459.09351	2.4
460.09717	0.3
477.10455	0.4
519.11450	16.3
519.24542	1.9
519.31311	0.6
520.11700	2.9
520.18787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.3
65.21706	0.6
69.03318	0.6
71.01247	2.2
75.00759	0.6
81.03337	1.7
85.02822	1.3
87.00755	1.7
89.03845	3.5
90.04184	0.7
92.11118	0.5
93.03343	2.1
99.00822	0.6
101.02336	1.1
105.03349	5.6
107.01286	0.9
113.02352	1.0
119.44183	0.5
119.66630	0.6
121.02843	2.6
123.04363	0.9
133.02843	5.4
145.02864	1.1
147.04517	0.7
148.01540	0.6
149.02335	1.2
163.03888	0.9
173.04370	0.6
177.01857	100.0
178.02219	4.9
191.05363	0.7
193.05040	0.6
211.13322	0.7
227.03296	0.6
229.01411	0.6
243.10320	0.6
253.01344	0.7
255.02911	0.6
269.01013	0.9
270.01749	1.4
271.02444	1.2
271.09760	2.7
282.01587	1.0
284.03360	0.7
285.03906	0.9
297.79865	0.6
298.01196	1.7
299.01932	1.0
312.02911	1.6
313.03470	5.1
314.04120	0.7
327.05252	0.7
328.05670	2.1
342.07285	0.8
343.08188	6.4
471.03619	1.3
489.04892	3.0
504.06839	1.1
519.09344	72.2
519.31061	2.0
520.09619	13.1
534.50488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47424	0.2
59.01265	1.2
66.77003	0.3
70.21060	0.9
73.02817	0.4
75.84769	0.2
81.03333	0.6
89.02316	0.3
89.03851	2.0
93.03358	0.4
95.04954	0.3
101.02312	0.3
105.03355	4.0
108.87023	0.2
109.02843	0.4
121.02863	0.3
133.02858	8.8
133.03827	0.6
135.04420	0.3
147.04456	0.4
148.01578	0.4
149.02379	1.7
155.04967	0.4
170.50055	0.3
173.04463	0.3
176.01134	1.3
177.01860	87.4
178.02199	4.9
182.03535	0.3
185.02415	0.5
197.02275	0.3
198.03189	0.7
199.04001	0.3
200.01184	0.3
200.48772	0.2
201.01848	0.6
210.03238	0.3
211.03841	0.4
213.01811	0.4
213.05342	0.3
217.01375	0.5
225.01813	1.5
226.02678	1.3
227.03439	1.2
229.01347	0.8
242.02077	0.6
243.02835	0.3
253.01462	1.0
254.02211	2.4
255.02826	1.2
257.04544	0.3
267.02957	0.5
269.00848	1.0
270.01660	1.4
271.02435	1.7
282.01804	2.0
283.02457	0.9
284.03284	0.7
285.03912	1.8
297.00400	1.2
297.03717	0.5
298.01218	6.5
299.01791	1.6
299.05310	0.4
312.02872	0.8
313.03516	7.1
314.03775	0.5
315.09079	0.3
315.12277	1.2
318.05157	0.4
327.05081	1.6
328.05905	3.1
329.04675	0.4
330.05188	0.3
342.07562	0.6
343.08279	7.0
344.08499	0.7
345.03970	0.3
346.49295	0.3
356.03223	0.4
357.04129	0.3
358.04703	0.5
361.03293	0.4
370.04968	0.3
371.05731	0.4
373.03552	0.7
374.04245	0.6
384.02939	0.3
385.03415	0.5
386.04214	0.5
389.06973	0.4
399.04926	0.4
401.03055	0.7
402.03973	0.5
413.03064	0.4
415.04507	0.4
416.05234	0.4
417.06067	0.9
427.04767	0.6
429.02588	0.6
430.03131	0.3
432.09079	0.3
443.07669	0.8
445.05475	0.5
456.96585	0.3
457.01907	1.7
458.01962	0.3
459.16547	0.3
461.05295	1.4
462.05402	0.3
471.03528	1.0
487.06726	0.7
489.04642	10.9
490.04965	1.7
501.08322	0.5
503.06381	1.1
504.06961	2.7
505.07230	0.3
519.09332	100.0
520.09674	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	518.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98690	1.0
70.70383	0.4
78.33794	0.6
78.95780	66.4
96.96851	4.4
98.19791	1.7
99.28296	0.5
150.97896	2.4
152.99498	100.0
153.99879	1.7
171.00572	3.2
191.34470	0.5
193.34824	0.5
200.63072	0.5
205.17729	0.5
229.81905	0.5
277.21893	1.3
302.37555	0.5
303.60403	0.5
313.09735	0.5
378.47977	0.5
431.22031	41.6
432.22278	5.1
518.25281	3.8
518.32202	0.7
519.09332	0.7
519.33795	0.9
524.52551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.23661	0.7
60.01595	1.4
60.41796	1.0
65.66665	0.9
66.38168	0.9
69.68901	4.9
93.97034	0.9
120.35314	0.7
194.00201	0.9
219.63666	0.8
262.27472	1.0
349.27042	0.9
394.79541	0.8
410.42111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59359	0.2
62.96298	0.3
70.54897	0.5
70.55230	0.5
70.75478	0.2
75.00130	0.2
78.95776	45.7
80.70084	0.2
96.96847	5.6
150.97968	1.8
152.99492	100.0
153.99834	1.8
171.00578	3.8
277.21674	0.9
302.34763	0.2
333.24396	0.9
349.24490	0.2
351.25775	0.3
431.22018	19.0
432.22443	2.6
442.67300	0.2
518.25208	3.1
519.25903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.6
57.03312	3.5
57.60104	1.1
59.01250	33.0
65.20027	1.2
69.03319	1.6
71.01253	29.5
71.04969	1.2
72.99172	5.1
73.02809	1.8
75.00362	1.7
75.00750	21.0
83.01235	1.9
85.02824	33.3
87.00752	13.0
89.02319	10.6
93.03363	1.8
95.01274	8.0
96.05354	1.1
98.20570	3.5
99.00761	12.3
103.00242	3.2
103.93917	1.2
112.44920	1.2
113.02329	54.5
114.02609	1.6
115.00243	3.3
117.01804	2.7
129.01852	3.4
157.01321	2.1
161.09644	4.8
161.13278	3.4
175.02394	3.3
187.11206	5.6
205.07153	1.3
205.12218	2.4
207.05150	2.8
207.10181	1.7
223.13300	1.2
231.05013	2.0
247.82587	1.4
249.06151	22.5
267.07220	96.6
268.07498	4.1
291.90210	1.3
297.04099	2.7
384.92642	1.3
394.71756	1.3
411.97949	1.5
455.19119	1.5
457.17154	2.8
499.18375	2.8
517.19275	100.0
518.19714	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69744	0.4
51.03229	0.3
55.01760	0.9
57.03331	4.9
57.84723	0.3
58.00474	0.8
59.01254	30.8
60.01583	0.4
61.45740	0.3
67.01772	0.7
68.99694	1.4
69.03329	1.4
71.01257	25.4
71.04873	0.3
71.26197	0.3
71.31102	0.3
72.01572	0.3
72.65106	0.3
72.99185	5.4
73.02831	1.4
75.00753	15.9
81.03334	0.6
83.01261	1.4
83.04897	1.5
84.02067	0.4
84.79781	0.3
85.02827	27.6
86.03168	0.4
87.00760	12.6
89.02325	6.8
91.03891	1.2
93.03381	1.0
95.01267	5.8
96.00169	0.3
97.06474	0.4
99.00767	9.9
100.01122	0.4
101.02341	1.5
103.00264	2.8
107.04937	0.6
108.02103	0.3
109.02828	0.5
111.00768	1.3
112.01552	0.7
113.02340	35.6
114.02678	0.7
115.00271	1.8
117.01847	2.6
119.04955	0.4
120.05727	0.7
122.03686	0.3
125.05981	0.8
126.56094	0.3
127.87508	0.3
129.01866	2.1
131.03398	0.8
135.04451	1.1
135.11743	0.8
137.02321	0.4
139.00273	0.4
149.04466	0.7
157.01349	1.2
161.09628	3.2
161.13301	2.2
162.13620	0.4
163.11209	1.4
175.02464	3.1
175.03864	0.4
187.11188	2.4
189.09157	1.6
191.05551	0.5
205.07097	0.9
205.12259	2.6
207.04991	1.8
207.10214	1.1
211.07584	1.1
223.13402	1.6
231.05052	0.8
249.06151	17.0
250.06483	0.6
255.03027	0.9
267.07220	73.9
268.07593	4.2
283.02237	0.4
284.03302	0.5
341.16168	2.0
353.69958	0.3
455.19324	1.6
457.17331	2.5
499.18158	2.6
500.18591	0.5
517.19257	100.0
518.19604	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	517.1564
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
52.65367	0.7
59.01255	16.3
61.04366	0.7
69.78934	4.9
71.01257	15.9
72.99216	1.6
73.02823	4.5
83.01281	1.7
85.02831	4.4
87.00748	8.1
89.02317	12.4
90.02699	0.8
93.03348	1.6
95.01283	1.1
97.02836	1.0
99.00770	7.6
100.53575	0.9
101.02334	7.5
109.02850	1.1
113.02328	9.9
117.03349	4.1
119.03394	2.3
119.04939	1.4
121.02793	1.7
123.04433	2.2
131.03384	1.3
132.02071	14.3
133.02864	2.9
134.03635	57.4
135.04201	1.6
136.05209	1.7
137.02362	2.8
139.03935	1.0
143.03403	2.0
147.04491	1.7
148.05170	1.0
149.04562	1.6
149.05992	9.5
150.06729	1.8
151.07564	1.4
152.08304	1.8
153.01877	1.0
153.09103	3.0
157.40063	0.8
160.01575	72.9
161.01968	3.2
161.04471	4.1
162.06802	3.4
163.07527	1.2
165.01865	0.9
173.04561	0.9
173.05980	2.2
175.03926	100.0
176.01010	0.8
176.04443	7.2
178.02682	5.0
179.03410	1.3
179.05574	2.4
180.07834	8.0
181.08607	3.7
191.05705	5.2
191.06889	5.1
193.04993	99.4
194.05296	6.0
205.12265	4.4
207.06592	3.0
213.13129	0.9
220.03848	1.0
223.13423	1.7
235.06091	25.4
236.06381	3.1
245.58911	0.8
265.07147	10.8
267.07346	1.5
271.35297	0.8
295.08252	10.7
301.23865	0.8
319.08313	1.0
337.09296	10.7
341.10767	1.9
351.10825	1.4
355.10303	5.9
385.18835	2.2
390.37680	0.9
517.15631	70.6
517.22815	14.9
518.16071	11.1
518.23505	2.3
538.83972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19207	0.3
53.11659	0.3
55.01742	1.0
57.03309	1.4
58.00461	0.4
59.01253	26.5
69.03316	1.2
71.01254	13.6
72.99183	1.5
73.02827	3.9
81.03315	0.5
83.01263	2.5
85.02340	0.6
85.02822	5.1
85.99960	0.5
87.00755	5.1
89.02328	1.7
93.03334	0.5
94.61380	0.3
95.01261	1.4
97.02837	0.9
98.19741	0.7
99.00753	1.3
101.02328	5.6
109.02855	0.4
111.00746	1.3
111.08038	0.4
112.01534	0.5
113.02332	3.1
118.18516	0.3
119.03405	0.5
121.02836	0.6
124.01520	0.9
125.02319	2.0
135.04414	0.7
143.03421	0.4
143.10692	0.5
147.04422	1.2
149.05983	0.7
163.03854	0.4
169.12263	3.2
174.03146	0.4
175.03799	0.3
177.01797	0.3
183.13811	0.5
192.04060	0.4
200.04399	0.4
201.05698	0.3
201.60208	0.4
211.13319	0.5
277.21799	0.8
295.22787	4.9
296.23193	0.8
300.06644	0.3
313.23849	22.0
314.24283	2.0
315.07248	0.5
337.24008	0.4
337.93066	0.4
339.07336	0.4
355.24936	0.7
439.27090	1.1
457.28070	18.0
458.28491	3.0
473.18301	0.6
475.29099	34.4
476.29449	5.1
499.29260	0.6
517.30188	100.0
518.30499	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	515.2131
Annotation	hesperadin
Peak:m/z	Relative Intensity
57.03327	3.3
57.90004	1.3
59.01257	19.4
61.58665	1.6
62.57943	1.3
68.99672	2.3
69.03322	1.9
71.01253	12.9
71.08559	1.2
71.08977	1.5
71.53525	1.7
72.99181	4.0
73.02810	2.5
75.00747	13.3
76.25782	1.3
83.01244	1.5
83.04902	1.7
85.02821	12.8
87.00754	19.1
88.01041	1.7
89.02312	3.6
95.01266	3.8
97.06485	2.3
99.00761	6.9
99.04405	11.3
101.02331	3.2
113.02354	13.7
121.02859	1.7
125.02443	1.7
130.99780	3.7
137.02298	1.6
147.04416	2.8
148.05180	3.3
149.06020	2.1
163.03857	1.3
163.07491	2.4
171.04431	1.7
173.05960	5.1
175.02335	2.3
187.07538	1.8
189.05475	4.2
191.03380	1.9
193.04965	1.7
199.07635	2.7
200.91026	1.6
203.06979	1.7
203.14378	4.2
215.07121	3.3
217.08656	3.9
218.09473	9.5
219.10222	1.8
221.15427	23.9
222.15822	1.7
227.12924	1.6
228.07672	1.8
249.06113	16.4
250.12172	3.4
265.14487	8.3
267.07285	3.6
268.07135	1.6
339.18130	3.6
453.21786	2.8
465.17776	4.6
471.22031	1.7
497.20383	22.7
498.20578	4.3
515.21405	100.0
515.27917	3.7
516.21979	15.4
516.28723	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49018	0.3
51.78988	0.4
55.01766	2.7
57.03327	0.8
59.01253	12.8
63.94683	0.4
70.18253	1.5
71.01249	3.5
72.99186	0.5
73.02818	0.5
75.00763	1.9
75.33295	0.3
85.02839	1.4
87.00774	1.7
89.02330	1.2
89.03837	2.5
93.03325	0.7
99.00767	0.7
99.04409	0.6
101.02335	1.9
106.04089	0.5
111.00768	0.5
113.02341	0.8
117.01978	0.4
117.03343	7.3
118.03636	0.5
119.74316	0.4
129.01833	3.5
132.02087	3.7
133.02884	0.7
134.03635	96.9
135.03935	5.0
135.75958	0.4
136.01518	0.3
137.02344	1.3
139.03883	0.6
145.02896	1.0
147.02878	1.3
147.04420	0.8
149.05992	14.0
150.06299	0.7
159.04449	0.4
160.01572	26.5
161.01868	1.8
165.03906	0.5
173.04477	0.7
175.03922	34.1
176.04208	1.8
177.01797	0.5
178.02597	3.3
193.04993	100.0
194.05309	4.9
201.05785	0.4
202.06270	0.9
217.08685	2.2
245.22754	0.4
261.07553	0.8
276.24561	0.4
323.07706	42.5
324.08005	4.0
341.08606	1.3
359.04654	0.4
479.51987	0.4
517.07648	0.7
517.30365	1.0
523.04663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76182	1.2
55.66291	1.3
59.01250	12.4
61.65061	1.2
61.98713	1.5
66.12999	1.1
69.44288	7.3
69.44698	2.0
71.01266	8.5
72.99184	3.0
73.02825	4.7
75.00746	2.4
82.14894	1.3
83.01251	2.0
85.02838	4.1
87.00747	12.6
89.02319	2.8
93.03348	3.2
99.00766	2.6
101.02351	6.0
108.02037	1.5
109.02875	5.0
113.02341	4.7
117.03362	3.4
119.04929	50.5
120.05252	2.6
123.04417	15.1
125.02351	2.7
128.01051	1.4
133.78975	1.2
134.03633	2.4
135.04440	1.9
137.02425	1.6
143.03415	1.4
143.04910	2.8
145.02872	18.9
149.05998	5.1
151.00223	1.8
153.10449	1.4
160.01668	1.5
161.04494	3.0
163.03931	100.0
164.04323	5.1
165.05486	3.6
169.56754	1.2
169.58167	1.2
173.04477	1.6
175.03929	3.5
179.07181	1.4
191.05531	2.8
193.05005	5.9
195.02895	3.1
251.07156	2.7
253.08684	6.8
255.05132	20.3
267.07166	2.8
279.06604	2.0
297.07742	2.6
323.05576	5.0
351.12811	1.3
369.13971	1.6
435.21509	1.3
497.16293	1.8
515.17517	11.4
516.18073	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01251	4.6
61.57662	0.3
65.78676	0.4
67.01776	0.5
69.72310	1.8
71.01263	4.9
71.04855	0.4
72.99171	0.8
73.02827	1.8
75.00753	0.9
81.57872	0.4
83.01269	0.9
85.02835	3.1
87.00755	3.5
89.02326	1.7
93.03345	1.1
95.01288	0.7
99.00773	1.1
101.02335	3.6
108.02032	0.4
110.55603	0.3
111.00776	0.5
113.02329	3.4
117.03345	3.8
119.04924	50.2
120.05248	2.7
121.02835	0.5
123.04431	3.7
125.02316	0.4
128.71251	0.4
129.01854	0.4
133.02827	0.4
134.03661	1.1
135.04376	0.5
137.02359	0.8
145.02869	18.4
146.03159	0.5
147.04485	0.4
149.05997	1.5
150.29277	0.4
159.02989	0.4
160.01563	0.4
161.04520	1.8
163.03928	100.0
164.04280	5.6
165.05461	0.8
173.04543	0.4
175.03972	0.8
179.03413	0.6
188.29033	0.4
191.05583	0.6
193.05063	1.7
195.02972	0.6
223.43311	0.4
237.09781	2.0
249.06195	1.0
255.05054	5.7
267.07248	0.8
279.10852	0.5
294.19168	0.4
321.08551	0.7
339.09399	1.1
351.12988	0.7
369.14084	1.5
399.07962	0.4
483.18094	0.4
497.16754	0.4
515.17877	10.8
516.18005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.9
59.01257	54.8
63.91310	8.8
67.95390	8.7
68.99677	18.4
69.03313	12.2
71.01247	29.5
71.53310	8.3
72.39922	7.4
72.99191	22.1
75.00734	20.6
79.39780	8.1
81.03355	9.8
83.01247	9.8
83.35297	8.8
84.01537	7.0
85.02829	25.3
87.00745	32.4
89.02338	10.7
93.03349	17.5
95.01268	13.7
97.02859	16.9
99.00764	11.4
99.04392	9.4
100.63564	7.8
101.02347	16.0
108.02059	11.9
109.02834	24.1
111.00742	13.9
111.04411	13.2
113.02351	24.1
121.02843	34.7
122.03633	14.6
123.00824	39.7
123.04395	31.9
124.01556	24.7
125.02326	20.4
135.04381	23.2
137.02344	45.9
139.03951	38.0
141.01863	12.4
147.04459	10.2
148.01595	9.2
149.02306	38.8
149.05962	9.7
150.03064	31.1
151.00357	11.2
151.03934	49.0
152.01004	10.2
153.01842	12.7
155.03439	8.4
161.02356	18.9
162.03178	10.6
163.03925	33.2
165.01837	39.9
165.05450	20.8
166.02594	19.9
167.03433	100.0
177.01881	20.5
178.02608	9.4
178.48085	7.2
179.03372	36.8
179.07071	18.6
181.01324	8.0
181.05003	21.3
183.02803	9.9
191.03470	29.9
191.05357	12.6
193.01352	15.7
193.05048	20.7
195.02881	11.1
197.04512	9.4
197.59320	8.0
207.02937	56.3
209.04468	20.2
219.02977	11.8
221.04585	18.8
225.03865	10.0
237.03963	13.4
249.06134	16.7
265.07153	9.4
267.07153	30.2
281.69849	9.0
331.08243	13.4
334.40292	9.4
359.07773	28.0
369.10449	11.1
377.08527	12.9
395.09744	11.3
515.13776	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.9
61.98706	100.0
63.94630	0.2
65.02602	0.2
71.01263	0.9
71.46500	0.2
72.13441	0.3
72.99171	0.2
78.71231	0.2
83.01255	0.3
85.02848	0.4
87.00776	0.8
89.02303	0.2
95.93061	0.2
98.19700	0.3
99.00768	0.3
99.38177	0.2
101.02345	0.5
106.27336	0.3
113.02337	0.5
117.03373	1.1
119.04924	7.8
123.04444	0.5
136.61490	0.2
137.02341	0.4
145.02859	2.9
149.06247	0.2
149.51164	0.2
161.04465	0.4
161.88605	0.3
163.03931	16.7
226.02682	0.3
255.05130	0.7
279.01819	0.3
307.30939	0.3
375.95502	0.3
458.15805	0.3
515.17480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	69.9
69.50671	24.6
69.51099	18.5
71.01268	46.6
72.99171	7.6
85.62498	6.5
87.12070	7.1
88.01996	6.4
89.02325	61.2
93.03323	15.5
98.19834	13.6
101.02312	35.7
103.60836	6.4
111.04371	6.9
113.02328	21.7
119.03388	22.1
124.32613	7.2
134.37274	6.8
140.10548	7.4
142.99753	27.9
166.36139	7.2
173.04480	27.8
179.05544	16.7
199.43106	7.4
326.25830	7.2
341.10889	100.0
342.11267	9.3
461.32983	7.5
475.05682	7.0
533.81403	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03844	0.4
59.01254	100.0
60.01594	1.5
61.98685	0.5
65.53188	0.5
69.23195	1.3
69.23617	3.8
79.95582	0.5
80.96403	0.8
87.00732	0.5
113.75101	0.5
132.25204	0.6
147.04448	0.6
189.32576	0.6
277.16284	0.5
277.21713	7.1
278.22131	0.6
309.30521	0.5
513.35974	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46721	0.1
52.81465	0.1
55.01751	0.4
57.03324	0.2
58.00468	0.2
58.30988	0.1
59.01250	6.7
69.03321	0.1
69.27077	0.2
69.27496	0.6
71.01252	4.6
72.99170	0.3
73.02819	0.9
75.00713	0.1
83.01261	0.6
83.04900	0.1
85.02819	1.1
87.00745	0.6
89.02316	3.8
91.03871	0.2
95.01239	0.4
97.02834	0.2
99.00748	0.2
101.02322	4.6
102.02686	0.1
113.02328	2.5
115.03848	0.1
119.03387	1.0
125.02302	0.1
125.16245	0.1
126.58352	0.1
127.07588	0.2
131.03394	0.2
133.04985	0.4
143.03426	0.4
149.04442	0.1
150.21289	0.1
157.05025	0.1
161.04462	1.8
179.05527	0.6
205.19371	0.1
233.22752	0.2
235.08180	1.1
253.09256	16.5
254.09631	0.8
259.20645	0.3
275.20135	0.4
277.21710	100.0
278.22052	12.4
350.22592	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
55.77201	0.1
55.90490	0.1
57.03320	0.2
58.00450	0.1
59.01251	6.5
60.79672	0.1
62.72769	0.1
71.01257	5.0
72.99158	0.3
73.02823	1.0
83.01257	0.6
83.04903	0.2
85.02824	1.3
87.00754	0.6
89.02320	4.2
91.03886	0.3
95.01266	0.5
97.02824	0.2
98.20603	0.2
99.00759	0.3
100.57574	0.1
101.02323	4.8
103.06058	0.1
113.02328	2.1
119.03403	1.1
125.02350	0.3
127.07513	0.1
131.03342	0.1
133.04991	0.2
143.03413	0.5
161.04471	1.7
167.15056	0.2
179.05545	0.6
182.13040	0.1
229.66919	0.2
231.43890	0.1
233.22786	0.3
235.08069	1.0
253.09262	17.1
254.09682	1.1
259.20602	0.4
275.20059	0.4
277.21713	100.0
278.22055	11.9
352.61697	0.1
411.36026	0.1
432.85858	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	513.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
57.49438	0.4
59.01252	3.9
60.99200	0.4
61.98679	0.4
67.01765	2.9
69.03328	0.8
71.01257	3.4
71.53025	0.5
80.64483	0.5
81.03326	1.1
83.04916	1.2
85.02818	1.2
85.30609	0.4
87.00742	2.4
89.03860	0.4
93.03337	42.9
94.03683	1.8
98.19843	0.4
99.54178	0.4
101.02306	0.8
109.02840	1.4
111.00777	0.7
111.04414	5.3
113.02327	0.8
117.03347	2.5
119.04919	22.7
120.05249	1.2
121.02856	0.6
127.03883	1.0
132.02052	0.6
133.02881	1.0
133.06487	0.9
134.03633	17.2
134.04657	0.9
135.04172	0.4
137.02344	20.7
138.02657	1.0
145.02866	2.5
147.04387	2.2
149.06003	3.0
155.03409	7.7
156.03839	0.4
157.80437	0.4
159.04500	0.5
160.01555	3.1
163.03918	26.6
164.04292	1.4
173.04475	100.0
174.04820	4.2
175.03938	3.6
177.05519	0.6
178.02692	0.8
191.05539	4.5
193.04994	14.8
194.05345	1.1
215.06964	0.4
219.02966	1.3
279.10556	0.4
319.08212	4.0
320.08624	0.5
337.09283	24.9
338.09641	3.0
349.09271	7.5
350.09665	0.8
367.10327	17.0
368.10751	2.3
495.18893	0.9
513.13324	0.5
513.20050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01247	2.1
65.03819	0.8
65.77644	0.4
67.01765	3.3
69.03300	0.7
69.24921	0.4
69.52272	1.1
69.52674	2.1
71.01261	3.1
73.02801	0.6
74.20380	0.4
75.55605	0.4
81.03320	0.6
83.04913	0.8
85.02798	0.9
87.00749	1.2
87.41521	0.5
89.03824	0.4
93.03338	37.8
94.03673	1.4
109.02847	1.4
111.00768	0.9
111.04405	4.3
117.03363	1.9
119.04920	20.3
120.05252	1.1
121.02855	0.5
132.02080	0.6
133.02934	0.5
133.06477	0.4
133.41371	0.4
134.03638	13.2
135.04044	0.4
137.02350	22.8
137.14919	0.4
138.02673	1.0
145.02863	2.4
147.04398	1.5
149.06004	2.4
155.03406	8.2
160.00522	0.4
160.01607	3.5
163.03923	31.1
164.04276	1.7
173.04475	100.0
174.04823	4.0
175.03906	3.0
177.05470	0.9
178.02815	0.7
191.05550	4.2
193.04997	11.3
194.05403	0.5
198.05231	0.4
219.02940	0.4
319.08279	2.1
337.09274	26.9
338.09656	2.9
349.09265	6.9
367.10385	9.3
368.10709	1.3
485.92126	0.5
492.85672	0.5
513.27118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
58.00465	0.6
58.17489	0.5
59.01252	15.0
67.01763	0.8
68.99682	1.9
69.03322	1.8
71.01259	17.9
72.99177	4.9
73.02817	1.6
75.00356	1.1
75.00748	12.9
81.03341	1.1
83.01262	1.3
83.04915	0.7
85.02824	19.3
87.00751	8.4
89.02317	3.5
89.30638	0.5
91.03886	0.8
93.03311	1.3
95.01271	4.7
97.02845	0.9
99.00764	8.0
103.00242	1.5
109.02839	2.1
109.06467	0.9
111.00784	1.1
111.04362	1.5
113.02340	22.4
117.01815	2.6
119.08574	0.8
121.02833	0.8
122.03642	0.9
125.05975	2.3
129.01819	1.7
136.05199	1.6
137.05994	0.8
138.06747	2.4
139.07565	2.0
148.05220	1.6
149.05998	1.0
151.07568	5.1
152.08331	3.1
153.88950	0.6
157.01320	0.9
159.11726	0.6
161.09520	1.6
163.07544	2.4
173.06021	0.6
175.02370	1.5
185.09706	1.0
187.07642	1.2
189.03908	1.0
189.09221	1.1
201.12793	7.0
203.10655	3.4
204.11494	9.5
205.11937	0.7
207.05064	0.9
219.13847	14.9
220.14105	0.7
230.09558	0.7
231.05122	1.9
245.11732	2.6
249.06134	26.5
250.06410	0.9
263.12939	3.5
264.13254	0.7
267.07217	20.6
268.07489	1.6
289.94452	0.6
297.11569	0.6
386.33044	0.6
439.11896	0.7
495.18942	2.0
513.19788	100.0
514.20154	18.3
533.14093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26662	0.4
53.32706	0.4
57.03322	0.8
59.01259	1.1
61.98702	0.6
73.02856	0.6
76.60574	0.5
80.96397	1.0
84.95151	0.4
97.06479	0.7
98.20646	0.9
111.08060	1.5
115.48299	0.4
126.38374	0.4
126.63530	0.4
147.04408	1.0
159.25371	0.4
160.98741	0.4
165.12772	20.0
166.13112	0.9
183.13834	100.0
184.14149	5.7
191.10678	0.4
192.04398	0.5
201.09105	0.5
209.11777	5.2
211.13309	0.6
227.12834	16.8
228.13210	1.3
229.66983	0.4
283.15482	1.4
301.16586	10.7
302.16971	0.9
308.46255	0.5
331.26474	0.7
341.13922	0.4
449.28842	0.8
467.30127	1.3
493.28128	1.7
511.29120	30.8
512.29547	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	511.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	57.7
60.01577	1.1
71.01214	0.5
71.06955	0.4
81.03336	4.8
83.04899	14.3
98.20671	0.7
108.04468	0.6
124.04931	0.6
125.07092	1.8
143.08121	0.9
181.43646	0.5
207.14928	2.2
224.17575	3.0
225.16032	10.6
225.18117	0.8
226.16339	1.0
242.18649	0.9
266.03610	0.4
324.26627	1.4
333.22958	2.4
351.23944	0.8
367.27274	1.2
433.31738	6.1
434.32376	0.5
451.32901	100.0
452.33255	18.1
452.38321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20288	0.3
58.53056	0.4
59.01256	0.8
65.85540	0.3
69.49795	2.9
78.95773	21.4
79.95645	0.4
80.15827	0.4
80.96382	0.8
87.00759	0.6
96.96832	1.6
118.94537	0.4
121.02840	0.9
122.03626	0.7
128.80428	0.5
150.98022	0.5
152.99492	31.5
153.99806	0.5
171.00562	1.4
212.00723	0.4
212.13626	0.5
227.03246	4.3
241.01215	0.6
245.04411	2.6
255.23245	1.1
281.24854	100.0
282.25201	10.9
292.50958	0.4
346.40216	0.4
417.24142	1.1
509.28827	51.0
510.23111	0.5
510.29181	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	511.2548
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.01755	0.5
57.03315	3.2
57.16914	0.6
58.00443	0.7
59.01255	14.7
61.98670	0.8
69.03306	0.9
71.01259	7.9
72.99184	0.6
83.04875	1.0
85.02804	1.7
87.00327	0.5
87.00756	5.2
89.02329	4.6
93.03313	0.6
97.06410	0.5
99.00779	0.6
101.02328	3.6
113.02328	2.7
115.00250	0.6
119.03377	1.2
121.02840	0.6
128.07567	0.5
130.33051	0.6
130.99742	1.3
137.02299	1.6
147.04381	2.6
149.05994	1.2
149.62120	0.5
152.42555	0.8
171.10164	1.0
173.13312	3.2
193.04967	1.5
209.11783	1.4
211.13368	1.1
229.55847	0.6
243.10139	0.5
243.17508	1.9
259.20663	14.5
260.20972	1.5
261.22232	23.9
262.22519	2.3
287.20068	1.0
289.21790	1.4
291.23306	1.6
301.21762	1.0
303.19656	4.1
305.21240	7.5
306.21558	1.0
331.15302	1.1
331.19144	15.0
332.19376	2.1
343.24908	2.4
345.20517	0.9
349.20200	100.0
350.20538	13.7
363.21695	1.6
391.21234	11.2
392.21573	1.8
511.25607	34.6
512.25836	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	509.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81218	0.8
54.43100	1.1
57.03047	1.9
57.03328	37.9
58.03680	1.4
59.01254	24.8
60.72940	0.9
66.91380	1.1
70.90462	0.8
71.01260	3.5
71.54211	1.1
80.86024	1.0
82.02853	2.4
83.01304	1.0
87.00745	2.4
89.02302	1.0
96.38551	0.9
99.04397	21.4
101.02332	9.4
114.45950	0.9
119.04920	1.2
125.02354	4.6
145.07626	58.7
146.07968	2.7
147.04343	1.4
161.04486	10.5
163.77510	1.0
170.07213	3.3
171.09186	1.0
188.08229	37.1
189.08498	1.6
207.98154	1.0
210.10199	1.4
214.09799	32.2
215.10129	2.3
226.09848	2.4
244.10895	3.1
256.10919	16.7
257.11353	1.3
268.10870	2.0
304.09619	2.1
304.13065	30.6
305.13748	1.9
322.14090	100.0
323.14334	10.6
333.09653	1.3
354.87170	1.0
361.25946	1.9
364.15134	2.2
365.14368	2.7
381.82065	1.1
466.18347	3.5
509.28879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97256	0.2
59.01236	0.6
69.62564	0.2
78.95775	7.7
86.13203	0.2
96.96848	0.7
123.73970	0.2
152.99490	14.2
171.00549	1.5
227.03195	2.3
245.04262	1.6
261.22226	0.4
279.23282	100.0
280.23618	12.5
280.26715	0.4
282.25168	0.2
409.57156	0.2
448.27145	0.2
507.27258	23.6
508.20782	0.4
508.27655	4.5
508.34494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.1
57.03322	0.8
59.01253	100.0
60.01593	1.5
64.30328	0.3
68.36595	0.3
69.03336	0.4
71.01257	9.7
72.99175	0.7
73.02819	4.3
75.00758	0.4
81.03313	0.4
83.01263	2.7
85.02831	5.7
85.99954	0.3
87.00745	2.1
89.02323	1.1
95.01263	1.0
97.02832	0.7
99.00755	1.5
101.02323	9.1
102.02750	0.3
109.02839	0.4
111.00749	1.7
113.02338	4.1
119.04937	0.3
121.02863	0.3
123.04436	0.4
125.02362	0.6
137.02347	1.0
145.02815	0.3
147.04376	0.6
149.05957	0.6
159.02931	1.2
159.04352	0.5
161.04503	1.3
163.03862	0.5
177.01909	0.5
187.03938	0.4
189.09085	0.4
193.05130	0.5
213.02098	0.3
215.06963	0.4
223.16959	0.3
226.02742	0.4
227.03282	0.3
243.02954	0.4
243.19679	0.9
257.04010	0.3
260.08093	0.3
270.01605	0.5
271.02267	0.5
272.02243	0.3
283.02466	0.3
285.03894	0.9
286.04349	0.9
287.04700	1.0
303.21802	1.0
312.02664	0.7
313.03430	3.1
314.03864	3.3
315.01312	0.4
315.04248	5.0
328.05792	1.3
329.06125	1.6
330.03156	2.5
330.06622	1.9
331.03937	0.4
343.08206	3.8
344.08624	3.9
345.05255	0.5
345.09213	7.2
346.09290	0.4
375.27496	1.6
387.23828	1.0
405.24899	2.3
429.24924	0.4
447.26007	2.6
448.26401	0.5
465.27103	3.7
466.27579	0.5
477.08267	0.4
489.27130	5.0
490.27417	0.9
507.13336	4.2
507.28088	82.0
508.13419	0.6
508.28427	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.9
57.03324	1.9
59.01248	1.7
59.72087	0.2
69.03365	0.3
69.26691	1.8
69.27100	0.4
71.01254	2.4
73.02869	0.6
73.13445	0.2
75.00754	2.5
85.02820	1.2
85.06528	0.3
87.00810	0.7
89.02314	1.5
93.03358	0.3
97.06550	0.2
101.02335	2.0
109.02899	0.4
113.02400	0.3
119.03447	0.2
121.02859	1.3
122.03220	0.7
129.01842	3.6
135.04424	1.2
136.04802	0.6
137.02422	0.5
146.63586	0.2
147.02959	3.7
147.04488	0.7
149.06081	0.3
161.04524	0.2
165.04153	0.2
183.17583	0.4
184.70547	0.2
193.05061	0.2
211.13417	0.3
227.16570	0.9
228.16806	0.2
256.06586	0.2
271.22736	0.3
301.10843	0.8
302.11255	0.6
303.11484	1.3
311.26086	0.9
312.47766	0.2
313.23834	6.6
314.24182	0.6
325.24002	0.4
330.47980	0.2
341.26892	1.8
343.25012	0.3
357.26453	0.3
359.28024	100.0
360.28363	12.7
489.11508	0.2
507.31635	33.3
508.31943	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93126	0.6
51.08079	0.6
55.01757	1.6
59.01248	1.9
60.51771	0.6
61.46770	0.5
69.94842	2.8
71.01260	1.6
72.99167	0.8
73.36233	0.7
75.00749	36.1
78.17125	0.6
82.16125	0.6
87.00751	5.7
89.02333	1.6
99.00761	1.4
101.02315	0.7
105.01825	7.5
115.00229	0.8
117.01855	0.8
123.99554	0.6
127.40252	0.7
129.01830	8.0
133.01347	1.7
147.02882	3.9
165.03966	100.0
166.04340	4.1
182.76253	0.6
220.12831	0.7
238.59196	0.7
310.75336	0.7
358.68219	0.7
393.09756	0.6
394.05450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2233
Annotation	Milolide K
Peak:m/z	Relative Intensity
55.01758	0.7
57.03334	0.8
59.01253	8.2
68.99689	0.6
69.52701	0.7
69.53109	1.7
71.01251	4.8
71.04819	0.3
72.99183	0.7
73.02818	1.2
75.00748	0.8
83.01262	1.1
83.04884	0.5
84.45661	0.3
85.02817	2.3
87.00745	1.9
89.02333	1.0
93.03333	18.9
94.03682	0.8
95.01263	2.1
96.99205	0.4
99.00761	0.7
100.57180	0.3
101.02318	3.8
101.02906	0.3
105.47959	0.3
107.04892	0.4
108.02051	1.2
113.02325	1.8
119.03441	0.4
119.04881	0.4
121.02844	1.3
123.08038	2.5
125.02284	0.4
131.04947	0.3
135.04417	0.8
136.01563	2.5
137.02344	44.2
137.09613	1.1
138.02663	1.9
147.04424	1.1
149.06009	0.4
151.03911	0.5
163.03876	0.4
163.11168	2.6
179.03424	1.9
189.12761	4.8
191.03398	1.0
193.05051	0.5
201.09155	0.3
207.13834	2.1
215.07059	0.4
221.04536	1.0
227.03601	0.6
239.05492	1.0
255.02896	0.4
281.06747	2.5
283.02475	1.1
297.03909	0.9
298.04865	2.3
299.05463	0.8
359.24594	0.4
376.07986	0.5
401.83984	0.3
436.02481	0.3
447.25977	1.2
447.31903	0.3
448.25790	0.4
507.22311	100.0
508.22668	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46833	0.3
57.03311	0.6
58.00459	1.1
59.01254	23.5
69.03346	0.4
69.32964	0.6
69.33379	2.3
71.01256	18.5
72.99187	1.7
73.02817	7.8
81.03348	0.4
83.01254	1.2
85.02827	2.8
87.00746	1.3
89.02319	22.1
95.01279	0.6
97.02842	0.8
99.00760	18.8
100.01118	0.6
101.02322	9.8
102.32522	0.3
105.64615	0.3
113.02332	4.0
115.03885	0.4
119.03388	1.7
122.21365	0.4
125.02325	1.4
131.03401	2.1
137.02405	0.5
143.03435	0.3
149.04463	2.3
161.04521	0.7
183.13832	0.7
191.03908	0.5
191.05518	4.1
195.13843	5.5
196.14058	0.5
213.14890	3.3
245.62325	0.3
357.19247	0.5
375.20264	7.2
376.20569	0.9
406.66287	0.3
484.78940	0.3
489.23483	0.4
507.24463	100.0
508.24759	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
59.01252	61.1
62.88056	1.3
70.81442	1.8
70.81767	2.7
71.01254	20.7
72.99191	2.4
73.02827	8.8
73.73441	1.2
75.00742	2.4
83.01252	4.7
85.02833	8.4
87.00742	6.6
87.62893	1.3
89.02319	11.5
94.02811	1.7
95.01262	2.7
97.02773	1.9
99.00748	1.9
101.02328	14.5
101.05972	2.7
108.02044	2.8
109.02821	3.4
113.02334	13.6
119.03398	3.5
119.04907	1.7
121.02847	3.5
122.03602	6.2
123.04410	15.4
123.08095	1.7
124.01579	1.9
125.02325	4.7
125.06023	1.6
132.04448	12.3
133.02820	3.1
133.05238	5.5
134.03625	4.2
134.05997	1.6
135.04430	8.7
136.05168	2.6
137.02339	4.1
137.05904	1.6
141.09105	9.5
143.03386	3.6
147.04440	3.8
148.01540	3.7
149.02338	6.5
149.06018	2.3
150.03094	3.9
151.00314	1.6
151.03925	8.3
155.07021	3.8
159.02896	1.6
159.04393	1.4
161.02354	10.5
161.04477	4.8
162.03156	12.1
163.03911	10.6
164.04720	1.9
165.01842	3.1
165.04214	7.4
165.05461	4.9
167.10732	1.6
168.00555	2.5
172.05222	2.2
173.06017	1.5
174.01611	1.7
175.03897	4.7
176.04712	2.0
177.01773	1.3
177.05530	1.7
179.03372	1.3
181.04884	1.8
181.12247	2.8
186.09169	1.3
189.01816	8.7
189.05400	2.0
190.02644	18.0
191.03447	17.9
191.05269	2.8
192.03949	1.8
193.05011	6.3
195.06433	1.6
195.13910	1.4
197.05913	1.7
201.09181	1.5
203.03392	1.8
204.04237	2.2
205.04956	2.3
207.02951	2.6
209.04521	4.6
214.12274	2.1
215.07237	1.9
215.11842	2.5
220.03687	2.6
221.04590	1.9
225.09151	1.6
225.14885	2.8
227.10704	3.8
232.03651	7.3
233.04324	3.8
241.09999	1.9
243.10255	3.1
243.15990	11.6
256.07285	2.4
257.12943	9.4
266.05698	1.4
274.04843	1.8
275.05161	1.5
283.10815	3.3
285.07895	2.5
296.81192	1.3
301.11880	6.4
315.08734	1.5
327.08749	12.7
328.09106	4.6
331.06729	4.6
333.09677	11.4
334.10248	2.4
345.10165	100.0
346.10547	11.3
357.09702	2.7
369.09906	3.5
375.10815	9.3
387.10849	12.6
387.20221	37.9
388.11249	1.7
388.20551	4.2
395.21991	1.5
401.12100	1.5
405.21283	37.9
406.21585	3.8
411.10721	3.0
429.11600	4.4
447.12842	4.7
447.22266	12.9
448.22339	1.9
507.15295	4.9
507.22150	1.9
508.22745	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1508
Annotation	Scutellarioside
Peak:m/z	Relative Intensity
57.03315	0.6
57.99734	0.5
59.01247	5.2
67.01762	0.9
71.01250	1.4
72.99179	0.8
73.02797	1.1
74.19496	0.7
75.00734	0.7
79.05379	1.3
85.02849	0.6
89.02294	0.7
91.05399	0.7
93.03314	1.4
95.01245	1.7
101.02261	0.6
105.82390	0.6
108.02034	2.1
109.02837	4.8
113.02332	1.7
119.04910	2.0
120.90683	0.5
121.02854	4.7
122.03624	11.8
123.00823	1.2
123.04413	21.6
124.01522	0.9
125.02333	1.4
133.02838	1.3
134.03635	2.2
135.04414	17.6
136.05234	4.9
137.02347	4.1
137.05974	4.5
145.02866	0.9
147.04424	2.0
148.01558	9.0
149.02350	6.1
149.05954	1.8
150.03130	6.7
151.03920	13.7
152.04193	0.7
154.02599	1.6
160.01585	1.0
161.02342	12.9
162.03140	27.1
163.03922	26.6
164.04570	3.1
165.01834	1.8
165.05464	4.8
167.03426	2.8
174.03117	1.3
175.03908	3.2
176.04718	0.8
177.01852	0.7
177.05464	2.0
178.02567	2.3
179.03409	3.7
181.04936	4.5
187.03899	0.6
189.01860	9.2
189.05550	0.8
190.02644	28.8
191.03416	27.8
191.05087	0.5
192.03941	3.2
193.04993	5.4
194.02162	0.8
194.05650	0.8
202.02661	1.3
203.03394	3.0
204.04129	1.1
207.02895	1.9
208.03712	1.3
209.04488	12.8
209.06355	0.9
214.45740	0.7
219.02928	1.0
220.03729	16.6
221.04462	12.7
222.04768	1.1
227.93105	0.6
232.03700	1.3
238.04662	1.0
239.05580	5.1
256.07422	2.9
257.08032	0.8
270.05283	0.8
271.09753	1.6
273.11322	2.6
283.09708	0.7
285.07748	1.2
285.11234	1.2
297.07690	0.6
299.09283	2.9
301.10855	2.2
303.08804	1.2
311.09549	0.7
312.06448	1.1
313.06592	0.5
313.10663	1.2
327.08752	12.6
328.09296	1.1
329.10284	2.3
331.06708	1.6
339.08954	1.1
342.07404	0.9
345.09775	100.0
346.10172	12.3
355.08224	1.5
357.09756	4.9
358.10159	0.9
375.10837	43.0
376.11142	5.7
387.10910	2.6
401.12164	0.9
411.10867	1.9
429.11877	4.5
507.15308	4.5
507.24048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1494
Annotation	Eurostoside
Peak:m/z	Relative Intensity
55.01757	0.9
57.03298	0.7
59.01252	20.3
61.98672	0.6
67.01757	0.6
69.03306	0.6
70.36821	1.4
70.37174	1.0
71.00966	0.5
71.01263	6.7
72.99174	0.9
73.02818	2.9
75.00748	1.7
81.03292	0.7
83.01248	1.4
85.02828	4.2
87.00743	2.6
89.02332	2.7
93.03326	1.4
95.01250	0.9
97.02767	0.8
98.19849	0.6
99.00744	2.3
99.04382	1.1
101.02332	3.9
104.04964	0.6
106.06472	0.9
107.04908	0.8
108.02023	2.1
109.02827	1.4
113.02351	4.1
119.03386	1.1
119.04887	1.1
121.02826	3.3
122.03625	6.0
122.06007	0.8
123.04414	17.0
124.01533	0.9
124.04735	0.7
124.07560	1.5
125.02313	2.1
129.01839	0.6
132.04446	8.9
133.02826	1.3
133.05229	3.3
134.03577	1.3
134.05981	1.9
135.02888	1.1
135.03331	0.7
135.04413	12.6
136.01601	1.0
136.05247	3.0
136.07420	0.5
137.02371	3.2
137.05923	1.3
141.09108	1.5
143.03430	0.7
145.02747	0.7
147.04430	2.1
148.01563	5.3
148.03947	0.6
148.05153	0.8
149.02361	5.7
149.05934	1.8
150.03152	5.3
151.00179	1.1
151.03918	10.8
154.02650	0.8
155.07050	1.0
159.02887	0.6
159.04449	0.9
161.02359	12.1
161.04390	1.1
161.05928	0.7
162.03145	20.0
163.03941	13.4
164.04517	1.1
165.01942	3.2
165.04173	6.3
165.05489	4.6
168.00510	0.7
172.05177	1.4
173.04491	0.7
173.05940	1.8
174.01636	1.2
174.03020	0.9
175.03911	3.7
177.01825	0.8
177.04134	0.9
177.05510	1.2
178.02603	1.4
178.06281	1.2
179.03421	2.8
181.04936	1.2
187.03946	1.0
187.07588	1.4
188.01131	0.8
189.00278	0.9
189.01880	11.8
189.05463	2.0
190.02641	20.1
191.03430	19.8
191.05261	0.7
192.03896	1.8
193.04974	7.2
194.02057	0.9
195.10388	0.6
197.05972	0.6
201.05392	1.3
201.09097	1.8
203.03389	2.1
204.04181	3.2
205.04906	1.8
207.02921	2.4
209.04594	8.3
211.09689	2.1
213.05353	0.6
214.12199	1.3
215.07079	1.0
215.11807	1.4
216.07716	0.8
217.04996	2.0
219.02950	0.7
220.03651	2.6
221.04427	3.3
227.10735	1.8
228.04126	1.0
229.04999	1.0
232.03741	8.6
233.04489	5.1
239.05589	1.1
240.10173	0.8
241.09579	0.7
243.10292	0.8
243.15903	2.4
245.04225	0.6
245.11798	1.8
251.05595	1.3
256.03683	0.8
256.07312	1.4
257.12961	5.3
267.06921	0.8
271.09772	1.2
273.11151	1.5
274.04874	3.0
275.05530	1.6
283.11115	2.8
284.06497	0.7
285.07501	0.8
289.10693	1.0
296.06683	0.6
299.09174	1.9
301.11853	4.3
302.12280	0.8
312.06390	1.1
326.07791	0.9
327.08746	12.5
328.09085	1.6
329.10352	0.8
331.07068	1.3
333.09885	7.9
334.10101	0.8
345.09967	100.0
346.10266	10.4
357.09717	1.7
369.09732	3.7
375.10959	5.2
376.11060	0.7
387.10925	19.2
387.20197	6.3
388.11179	3.0
405.21365	5.6
406.21722	0.7
411.10938	4.7
413.15271	0.8
429.11948	4.8
430.11777	1.0
447.12830	7.9
447.22073	2.7
448.13083	0.9
507.08597	0.7
507.15533	5.5
508.15894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
59.31438	0.5
61.98684	0.6
71.01245	0.7
82.45058	0.5
83.33757	0.6
87.00742	1.8
97.06456	0.8
108.02045	0.7
109.02880	0.9
110.38145	0.7
121.02845	0.6
123.04445	3.7
135.00754	0.7
135.04460	0.7
146.03763	0.6
147.04474	0.9
147.98462	0.6
151.03864	1.1
161.02388	0.5
163.00267	0.8
177.05435	1.0
179.03366	1.1
190.99785	1.6
202.02649	0.6
206.02173	1.6
210.03072	1.0
226.02713	0.8
228.04189	1.7
229.42487	0.7
230.01898	0.6
241.04965	1.1
242.02042	1.6
242.05743	0.8
243.06575	11.2
254.02179	1.4
270.01694	5.4
270.04495	1.0
271.06128	1.4
285.04019	7.4
286.04437	1.3
297.04004	1.2
298.01117	2.4
299.05576	1.5
312.02737	0.7
313.03552	34.3
314.03934	3.3
321.14600	0.8
327.05072	3.9
328.05881	14.1
329.06299	1.4
343.08221	48.0
344.08624	5.2
359.87936	0.6
362.08325	0.8
388.05862	1.4
389.06342	1.4
403.07843	0.9
416.05432	1.2
417.06183	0.8
421.09381	3.7
422.09641	0.7
431.07809	2.4
446.10330	0.9
449.08752	19.6
450.08966	3.1
459.07224	1.7
461.12402	1.3
463.10303	2.5
464.11145	2.8
477.08194	6.7
479.13510	8.4
480.13928	1.3
489.12054	1.0
492.10736	2.2
507.12949	100.0
508.13327	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	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
61.77818	0.5
65.00174	0.7
69.03326	1.2
70.84573	0.9
70.84898	0.8
71.01247	1.9
75.00729	0.6
81.03321	0.6
81.63303	0.5
83.01256	1.7
87.00782	0.5
95.01260	2.6
97.02814	1.8
101.02371	0.7
107.01244	1.5
108.02061	0.9
117.03348	1.1
123.00770	22.9
124.01574	15.6
125.02341	33.3
126.02686	0.9
134.03632	8.4
135.04257	0.6
139.03903	0.6
145.02962	0.6
149.02310	1.0
149.99489	17.4
151.00275	5.2
160.01588	1.0
161.02402	0.8
166.99777	0.6
167.03426	5.0
168.00552	41.7
169.01259	4.5
175.03926	0.9
193.05043	2.2
208.14432	0.5
211.02382	0.5
266.59732	0.5
269.06778	2.2
313.05646	13.6
314.06046	0.8
331.06702	100.0
332.07001	7.5
333.09564	0.5
338.65002	0.6
507.11475	24.3
507.19342	0.9
507.27780	1.1
508.11765	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	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12192	0.9
53.83796	1.0
57.48032	1.0
58.28466	1.0
59.01250	8.7
59.84305	1.0
66.22767	1.1
69.03304	3.1
69.69261	5.6
71.01241	4.5
71.10204	0.9
73.02797	1.0
75.00754	1.8
81.03339	2.4
85.02810	4.3
87.00735	1.4
93.03377	2.2
95.01277	6.1
97.02849	2.3
99.00784	1.4
101.02352	2.3
107.01265	2.2
107.42104	0.9
108.02055	62.7
109.02872	28.5
109.59607	1.1
110.03213	0.9
111.00723	0.9
113.02337	1.1
121.02826	2.3
123.00770	14.6
123.04420	2.5
124.01574	21.2
125.02399	6.8
125.03111	1.0
132.02107	1.9
133.02824	4.3
134.03651	13.2
135.04402	1.9
137.02319	2.8
139.00249	1.8
139.03917	3.0
140.01080	1.1
145.02805	1.1
147.04384	2.5
148.01578	2.6
149.02350	2.4
149.05988	2.4
150.03073	2.2
151.00267	5.8
151.03888	2.7
152.01057	65.7
153.01851	43.6
153.05383	1.7
154.02138	2.6
154.05759	1.3
159.00798	1.9
160.01550	3.0
161.02339	1.3
161.04422	1.2
163.03871	3.3
163.11009	1.0
164.04268	1.2
165.01860	1.9
165.05472	2.4
166.99774	4.3
167.03412	2.4
168.00557	63.5
169.01155	5.9
175.03896	4.5
176.01088	12.7
177.01871	8.1
179.03398	2.0
189.05455	1.1
189.88771	1.0
191.03395	8.9
191.06964	1.4
193.01317	2.3
193.04985	6.4
194.11502	1.1
195.02829	2.1
209.04485	4.3
217.04956	3.4
233.97678	0.9
259.06201	1.0
280.35760	1.1
297.06168	18.7
298.06534	2.8
313.05597	3.8
315.07202	38.2
316.07510	3.7
331.06757	9.7
332.06683	1.5
361.16479	2.0
449.90411	1.1
463.12180	1.3
475.08835	6.2
479.11761	1.7
491.11591	1.3
507.11432	100.0
507.27933	3.3
508.11725	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	507.1145
Annotation	Tomentin 6-glucoside
Peak:m/z	Relative Intensity
50.55001	0.9
50.56409	0.9
51.09982	0.9
57.03322	2.2
59.01255	28.1
59.03553	0.9
59.85231	0.8
61.98687	1.0
62.43990	0.9
68.99677	0.9
69.03329	2.8
71.01264	12.2
71.02823	2.2
72.99181	2.1
73.02810	3.4
74.02349	1.6
75.00755	3.5
77.93575	0.9
81.03329	1.1
83.01247	4.1
83.04893	1.5
85.02840	5.6
87.00768	9.0
89.02312	3.9
93.03336	2.8
95.01252	3.6
97.02850	2.7
99.00734	1.8
101.02323	7.4
107.01289	1.2
108.02052	6.4
109.02893	5.2
113.02321	5.2
117.03349	1.5
117.56710	1.0
119.03371	1.3
119.04918	1.9
121.02821	3.2
123.00768	9.8
123.04447	2.8
124.01573	15.8
125.02346	29.8
126.02736	0.9
128.01010	1.2
132.02129	1.0
134.03613	6.7
135.04417	2.7
137.02335	6.1
139.00310	1.5
139.03900	1.6
141.12823	1.0
145.02817	1.9
147.04430	4.5
148.05225	1.6
149.05983	4.2
149.99489	21.1
150.03052	1.3
151.00267	3.5
151.03864	3.2
152.01035	6.5
153.01860	4.8
157.26593	0.9
159.04401	2.0
160.01570	6.0
161.02367	2.7
161.04459	2.0
161.05981	1.2
163.03923	3.0
167.03397	1.6
168.00571	47.0
169.01331	7.5
173.04500	2.4
173.05908	1.8
175.03880	9.3
176.01105	1.8
177.01802	1.9
179.03413	1.0
187.03984	1.1
191.03461	2.6
191.05615	1.5
192.04178	2.6
193.04990	6.4
194.05655	1.1
203.03352	1.3
214.03717	1.5
227.03427	1.3
241.05013	1.2
243.03088	1.5
243.10146	1.1
250.04811	3.6
258.05139	1.2
271.02463	1.7
285.04080	2.0
285.07617	1.5
285.20697	3.6
297.06165	2.6
301.03564	1.6
301.06769	4.3
303.08682	1.4
303.21692	3.2
304.66943	1.0
313.05890	2.4
313.37842	1.0
315.07211	2.2
329.02985	5.0
331.06677	11.3
333.09863	1.7
343.04434	1.3
343.08359	1.1
344.05347	2.1
345.05829	1.4
375.19885	1.0
387.19424	0.9
401.11981	2.4
427.30157	1.1
435.11276	1.1
447.26239	6.2
465.27301	6.1
479.11646	1.2
489.10083	1.5
507.11484	100.0
507.27963	34.1
508.11783	15.8
508.28397	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	507.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.6
59.01248	14.2
60.35782	0.4
63.02272	1.0
63.63604	0.4
64.05819	0.5
65.00191	11.0
67.01746	0.6
68.99659	0.5
69.03321	0.7
71.01249	5.3
72.99169	2.3
73.02823	2.9
73.23650	0.5
75.00742	2.7
79.01792	0.6
81.03342	1.9
83.01257	10.2
84.01595	0.5
85.02824	1.4
87.00751	2.1
89.02327	2.0
90.79088	0.4
93.03326	1.8
94.02860	28.3
95.01260	1.6
95.04887	0.6
97.02827	2.0
98.20573	1.3
99.00782	0.9
101.02306	3.8
105.03323	0.5
107.01272	16.6
108.02104	2.8
109.02828	3.3
111.04400	0.6
113.02340	1.8
119.03413	1.0
121.02857	2.3
123.00799	1.4
123.04350	1.1
123.08022	0.8
124.01579	4.0
125.02336	34.2
126.02634	1.2
131.01292	1.7
132.02055	2.9
133.02846	1.2
134.03624	4.4
135.04424	1.3
136.01570	0.7
137.02336	3.8
138.01869	28.9
139.03926	1.8
145.02927	0.5
147.04465	0.9
149.02362	2.9
149.06010	1.8
149.99512	1.1
151.00273	72.6
152.00735	3.1
153.01823	2.7
159.04486	0.6
160.01558	10.2
161.02420	2.6
161.04439	0.7
163.00284	0.9
163.03911	1.8
165.01837	2.3
165.05499	0.6
167.03424	1.1
168.00580	4.5
169.01340	23.5
173.04538	0.6
173.05974	0.9
175.00311	4.2
175.03900	9.9
176.04327	1.0
177.01897	0.9
179.03384	0.7
180.02994	0.8
181.01288	0.6
191.03514	0.7
191.05450	1.1
193.01360	8.4
193.04971	3.9
194.01526	0.4
201.05406	0.5
205.01440	1.0
211.02415	8.9
212.02794	0.7
223.02341	0.8
226.02629	0.5
227.06804	0.5
235.02364	0.6
235.06017	1.1
240.04938	0.6
241.03569	1.5
255.05014	0.8
283.09937	0.9
285.04144	0.6
285.11389	0.7
287.04608	0.7
303.12323	1.1
304.23102	0.5
313.03519	1.9
314.03870	2.7
315.04141	4.3
328.05786	1.2
329.06027	1.6
330.06317	2.1
331.06729	1.5
333.09738	0.7
337.08783	0.6
343.08301	4.3
344.08578	6.2
345.08902	10.3
346.09079	0.6
387.20154	0.6
417.20050	0.6
447.08939	0.8
447.22177	1.1
447.29800	0.9
475.08731	0.8
507.11411	100.0
507.21451	2.6
507.28198	2.9
508.11777	15.3
508.21854	26.2
508.27710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.6
56.29836	0.5
57.03328	4.1
58.00468	3.3
59.01251	100.0
60.01584	1.4
61.98703	0.7
69.03320	1.0
69.23324	2.5
69.23752	1.9
71.01254	72.0
72.01606	1.2
72.99177	4.8
73.02821	13.8
75.00750	2.0
81.03315	0.5
83.01257	6.8
84.02074	0.6
85.02825	26.9
86.03180	0.8
87.00759	8.0
87.04371	0.7
89.02319	43.9
90.02648	0.7
91.05421	0.8
93.03371	0.7
93.06992	1.7
95.01268	5.1
97.02851	1.2
97.06460	0.6
98.20542	1.2
99.00758	5.4
101.02327	51.4
102.02669	1.2
106.49587	0.5
109.02850	1.0
111.00767	0.9
111.08066	1.9
111.74840	0.4
113.02332	29.5
114.02689	1.0
117.24166	0.5
119.03393	21.2
120.03711	0.9
121.02869	1.6
123.04426	1.7
125.02336	1.6
129.01848	1.2
131.03378	2.8
135.04413	4.8
137.02368	1.3
138.03139	0.7
139.03838	0.5
143.03383	4.9
145.02898	0.6
147.04449	2.9
148.05138	1.0
149.02357	1.8
149.04488	1.3
149.05989	1.6
150.03127	1.5
159.02908	3.9
159.04239	0.8
161.04466	19.6
161.05826	1.0
163.04031	0.5
165.12781	0.6
173.05998	1.0
175.03912	0.9
175.07730	0.5
177.05508	1.4
179.05521	5.9
179.06941	0.6
187.07619	0.5
188.04652	0.7
192.04230	0.7
193.04990	0.8
205.03310	0.6
211.16959	0.7
213.09207	0.5
213.18542	7.0
214.18814	0.6
219.09995	0.5
221.06648	0.7
240.13852	0.8
267.07394	0.6
270.05350	2.1
271.06039	0.5
283.13336	0.6
286.08603	2.5
291.14557	1.2
301.10760	9.2
301.13956	0.9
302.11212	0.8
313.03268	0.6
343.28528	10.0
344.28824	1.2
357.26529	0.5
417.97278	0.5
445.31659	1.7
450.05176	0.6
463.32779	3.3
464.33124	0.7
487.19281	0.8
505.11108	2.2
505.25793	2.3
505.33813	41.8
506.11847	1.0
506.34271	9.5
515.14209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63536	0.9
57.03313	2.6
59.01255	13.6
61.98707	1.8
63.97045	1.0
67.01769	1.3
68.99691	1.0
69.66915	4.3
71.01254	16.7
72.99183	6.1
73.02814	1.4
75.00747	18.0
80.96384	1.1
83.01270	1.2
85.02824	19.3
87.00763	7.8
89.02332	2.0
92.42538	1.1
95.01255	3.7
99.00749	7.0
101.05941	3.2
103.00226	2.1
113.02332	24.2
115.00317	1.1
117.01818	2.2
129.01801	1.6
138.73996	1.2
149.58957	1.0
152.99370	1.2
175.02359	3.0
200.89742	1.1
211.13155	1.0
223.08086	1.2
231.05013	2.3
249.06142	15.0
255.23268	100.0
256.23630	7.9
267.07108	2.8
301.10675	1.0
313.25204	1.5
329.28577	1.0
487.29269	3.5
505.30042	91.3
506.30347	15.4
506.37051	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	505.302
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
52.54848	1.0
57.03313	3.5
59.01256	15.4
63.05339	0.9
63.56302	1.0
69.03330	1.2
71.00893	1.5
71.01257	17.5
72.99186	4.8
73.02810	1.4
75.00746	16.1
83.01249	1.3
85.02823	23.2
87.00750	6.6
89.02328	4.9
95.01234	5.5
98.19661	1.9
99.00771	10.0
101.02330	1.1
103.00257	3.1
113.02338	29.8
115.00244	1.6
117.01830	1.8
129.01837	1.6
157.01274	1.7
175.02374	3.9
205.07156	2.2
223.08136	1.6
249.06122	7.6
255.23277	78.8
256.23615	11.0
267.07199	5.8
445.27649	1.2
487.28769	3.0
505.30145	100.0
506.30396	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83487	0.6
55.01758	3.6
57.03328	3.6
58.00482	3.5
59.01250	100.0
60.01586	0.9
62.12321	0.6
68.99681	0.7
69.03321	1.2
70.63505	1.3
70.63839	1.1
71.01254	84.8
72.01591	1.7
72.99190	4.5
73.02821	15.2
75.00746	2.3
81.03351	0.6
83.01257	7.6
84.02031	0.7
85.02825	28.7
86.03138	0.8
87.00754	8.4
89.02319	47.2
90.02699	0.9
91.05391	0.6
93.06982	2.0
95.01269	5.7
97.02845	1.6
99.00767	5.5
101.02326	55.9
102.02656	1.4
108.02110	0.6
109.02849	0.7
111.00796	1.2
111.08047	2.3
113.02335	31.9
114.02665	1.3
119.03394	22.9
120.03761	0.7
121.02840	1.9
125.02329	2.1
127.85543	0.6
129.01810	0.7
130.99773	0.7
131.03406	3.3
133.06558	0.8
134.03624	0.8
135.04431	5.2
137.02354	1.2
138.03120	0.7
143.03461	5.0
143.04503	0.8
145.02826	0.7
147.04408	3.0
148.05161	0.9
149.02391	1.3
149.04449	1.4
149.05978	1.6
150.03139	0.8
157.74423	0.6
158.02405	0.6
159.02907	4.5
161.04480	21.6
161.05836	1.3
162.04768	0.9
173.06000	1.1
175.03831	0.9
177.05498	2.2
179.05540	6.9
189.05519	0.9
191.03406	0.9
201.09198	0.8
205.03444	1.4
211.17064	1.3
213.18523	8.3
214.18773	0.8
215.07146	0.9
257.08139	2.1
269.04617	1.3
270.05380	3.9
271.06070	0.7
286.08405	2.3
291.14523	1.3
301.10852	8.0
343.08243	1.0
343.28574	9.4
344.28769	1.1
445.31482	1.3
463.32700	1.4
487.19647	0.9
505.11307	2.1
505.26050	1.7
505.33783	38.9
506.12131	1.2
506.19684	0.9
506.34076	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	505.2575
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01245	1.5
70.04223	0.8
70.04616	1.0
78.95773	10.4
96.96815	1.1
131.54478	0.4
140.21222	0.4
152.99489	16.9
153.99886	0.5
171.00540	1.4
225.41859	0.4
227.03209	3.1
233.22678	0.7
245.04283	1.8
259.20667	0.5
277.21713	100.0
278.22067	10.5
505.25714	28.9
506.26035	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.7
78.95777	29.6
96.96844	2.4
106.27797	0.5
111.00737	0.4
118.19498	0.4
123.19973	0.4
135.04390	0.8
150.97931	0.7
152.99493	43.7
153.99831	0.7
171.00571	2.1
227.03189	6.2
245.04308	2.5
259.20718	0.7
275.20190	0.9
277.21719	100.0
278.22052	12.4
279.23199	0.5
285.92456	0.5
301.10666	0.5
374.77710	0.6
413.21198	0.7
417.30084	0.5
431.22156	0.5
443.35220	2.2
488.68835	0.5
505.25726	61.2
505.34033	2.6
506.25958	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	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.7
57.03331	0.5
58.00467	0.3
59.01247	4.4
63.10602	0.2
66.76798	0.3
70.73534	0.7
71.01254	3.6
73.02820	0.7
75.00751	3.7
81.98003	0.3
83.01273	0.5
83.04898	0.4
85.02848	1.2
87.00768	1.1
89.02322	1.8
91.05412	0.5
92.79480	0.2
93.06976	3.5
97.06505	0.4
101.02312	2.7
102.24998	0.3
109.02863	0.9
111.08046	0.4
113.02345	0.4
119.03401	0.8
121.02847	0.6
123.04431	0.6
123.08055	0.3
129.01834	3.3
133.02782	0.3
135.04413	2.7
136.67627	0.3
137.02399	0.5
147.02916	6.2
147.04388	1.0
148.03171	0.2
149.02380	0.4
149.06015	1.0
153.05486	0.3
159.04478	0.6
163.03899	0.6
165.03992	0.4
175.03871	0.5
177.05438	0.4
179.07109	0.4
193.05005	0.3
206.06616	0.3
211.13243	0.3
215.07014	0.3
222.54120	0.3
227.16476	14.8
228.16885	1.1
269.08063	0.3
271.06046	0.3
293.21338	0.3
297.24243	1.6
301.10797	4.9
301.38367	0.3
302.11246	0.4
303.23663	0.3
309.24457	0.6
311.22443	0.4
321.24451	0.4
325.10828	0.5
327.25400	16.1
328.25720	1.2
339.25348	2.2
343.11786	1.2
355.25098	0.3
357.26453	100.0
358.26816	13.5
445.14752	0.4
457.60645	0.3
459.71823	0.3
505.11072	0.9
505.30145	41.6
506.30460	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.6
65.03841	1.9
67.01755	0.8
70.00407	0.6
70.00793	0.5
71.01286	0.2
91.05410	8.2
92.05759	0.4
93.03343	2.2
96.01996	0.3
103.05425	0.4
107.04894	0.5
108.02048	2.0
109.02840	21.7
110.03172	0.6
119.04900	0.8
121.02841	10.1
122.03150	0.3
123.04401	0.5
124.01582	0.7
125.02316	0.4
133.02832	0.7
135.04416	63.2
136.01498	0.5
136.04762	2.9
137.02330	1.6
138.03136	3.8
139.03917	0.7
147.04422	11.5
148.04823	0.6
149.02348	2.8
151.03903	2.0
151.05013	0.3
151.79866	0.3
152.04706	0.8
153.05478	8.6
154.05835	0.6
159.04448	0.5
160.69925	0.3
161.05852	0.4
162.03102	0.6
163.03879	1.6
164.04712	4.0
167.06982	0.3
175.07491	0.4
177.05473	1.5
179.07060	6.6
180.07344	0.4
185.05969	0.9
188.04739	0.3
199.07524	0.9
200.08260	0.3
201.05515	0.5
203.07076	0.6
209.06044	0.5
210.06839	1.3
211.03989	0.6
212.04721	1.8
213.05254	0.4
225.05522	0.6
225.09102	0.9
226.06239	0.9
227.07086	4.4
228.07368	0.4
229.05081	1.4
233.11803	0.9
237.06252	0.2
239.03477	0.5
242.09447	0.6
243.06735	0.4
244.07410	0.6
253.05025	1.1
254.05829	4.8
255.06546	2.1
256.03699	0.8
259.09827	0.6
268.07431	0.4
269.08200	7.1
270.08438	0.6
271.06113	4.7
283.09787	0.6
285.07837	0.3
286.08548	1.4
301.10803	100.0
302.11133	10.0
326.50775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58786	0.4
59.01234	0.5
65.03833	2.2
66.04180	0.5
67.01762	0.5
69.47146	2.9
76.32842	0.4
80.21349	0.4
85.43516	0.5
91.05416	12.3
93.03334	2.9
100.28904	0.5
107.04884	0.5
108.02060	1.0
109.02837	16.2
110.03137	0.6
119.04891	0.4
119.54893	0.4
121.02842	9.1
122.03181	0.4
123.04453	0.5
135.04416	95.2
136.01585	0.6
136.04753	4.8
137.02299	1.0
138.03102	3.4
139.03943	0.8
147.04425	8.2
147.68533	0.4
149.02338	3.4
151.03918	0.9
152.04617	0.6
153.05490	5.8
163.03813	0.7
164.04697	4.6
167.12717	0.4
177.05438	0.5
179.07059	7.9
199.07619	0.7
209.06049	0.5
210.06760	0.5
212.04799	0.7
216.07762	0.4
225.09125	0.5
226.06516	0.7
227.07091	1.6
229.05006	0.8
244.07430	0.4
254.05716	2.1
255.06566	0.7
256.03763	0.6
259.09692	0.4
269.08255	2.1
271.06223	1.7
272.06155	0.5
301.10812	100.0
302.11145	10.4
445.15158	0.9
505.17053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03339	0.2
59.01251	4.8
60.70032	0.2
62.75581	0.2
65.03816	0.2
66.17709	0.2
69.03327	0.2
71.01257	1.6
72.99173	0.4
73.02815	0.7
74.02341	0.3
75.00759	0.3
77.03855	0.3
78.95759	0.2
83.04944	0.2
85.02826	0.9
87.00768	1.5
89.02331	0.4
91.05419	0.3
93.03339	0.4
95.01259	0.2
97.02835	0.2
99.00742	0.4
101.02326	0.9
102.57021	0.2
109.02850	0.7
111.00769	0.3
113.02324	1.3
115.59689	0.2
117.34393	0.2
119.04912	0.2
121.02847	100.0
121.46359	0.2
122.03173	4.5
123.04408	0.3
125.02301	0.3
129.01917	0.3
130.99707	0.2
133.02794	0.2
135.04430	1.7
137.02373	0.2
143.03397	0.2
144.97960	0.2
147.02934	0.2
147.04404	0.9
148.05040	0.2
149.02412	0.2
149.06004	0.6
151.03917	0.2
153.05533	0.3
155.34416	0.2
159.04356	0.3
161.04482	0.4
163.03954	0.3
164.04753	0.2
173.04482	0.2
173.05994	0.3
176.40904	0.2
177.01833	0.2
177.05629	0.2
192.04187	0.2
193.05090	0.2
201.09277	0.2
211.13362	0.2
216.07544	0.2
218.02130	0.2
219.02951	0.2
219.20206	0.2
247.37669	0.2
250.82841	0.2
257.06900	0.2
269.08185	0.2
286.08246	0.2
301.10861	2.7
302.11185	0.4
341.14185	0.2
357.26538	2.4
358.26801	0.3
383.13504	0.6
443.11624	0.3
461.12607	0.3
505.11230	0.8
505.18155	0.3
505.29138	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36689	0.2
58.11306	0.2
59.01254	2.3
65.38564	0.2
71.01254	0.7
73.84912	0.2
87.00739	0.3
89.02318	0.5
93.03368	0.3
98.01860	0.2
99.00752	0.5
101.02309	0.4
108.02077	0.3
109.02823	0.5
113.02336	0.4
134.03671	0.3
135.04375	0.3
137.02348	0.3
138.01851	0.2
140.90573	0.2
147.04416	0.2
151.00290	0.4
152.01060	0.3
153.01836	0.3
160.01527	0.4
163.04008	0.3
167.03365	0.4
175.03941	0.5
179.03380	0.3
191.05569	0.3
193.01405	0.3
193.05016	0.4
198.03093	0.4
201.05453	0.2
202.02658	0.4
210.03186	1.3
211.03885	0.3
213.05649	0.5
214.02591	0.5
215.03442	0.3
225.01830	0.3
225.05495	1.0
226.02673	2.1
227.03300	0.4
229.01402	0.5
230.02191	0.4
239.03461	0.4
240.04099	0.3
241.04951	0.6
242.02216	2.6
243.02928	0.4
245.04437	0.4
251.44420	0.2
254.02267	1.4
255.02856	0.6
256.03622	0.2
257.04529	0.3
267.03149	0.3
269.01083	0.5
269.04520	0.7
270.01682	6.5
271.02188	0.8
281.01013	1.2
282.01746	0.5
283.02383	0.9
284.03326	1.0
285.04047	11.2
286.04297	1.2
297.04010	2.6
298.01199	3.1
298.04346	0.2
299.01956	0.4
299.05576	1.7
300.02835	0.5
300.06100	0.7
301.06644	0.8
311.05521	0.4
312.02673	0.8
313.03537	52.6
314.03860	4.9
327.05124	4.6
327.08530	0.2
328.05856	19.5
329.06232	1.9
342.07245	0.3
343.08209	100.0
344.08557	12.6
505.13513	1.9
505.26120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
59.01247	0.6
69.86545	2.5
69.86890	0.7
98.20536	0.8
113.34705	0.4
134.03619	0.5
170.63197	0.5
177.01825	0.6
198.03165	0.7
210.03149	1.2
214.02611	0.7
225.05565	1.5
226.02718	3.1
227.03395	0.9
229.01334	0.8
230.02240	0.5
239.03444	0.8
240.04237	0.6
241.01181	0.5
241.05125	1.0
242.02122	3.5
243.02815	0.7
253.01419	1.0
254.02159	3.1
255.02831	0.8
257.04596	0.7
267.03018	0.7
268.03693	0.7
269.00922	1.6
269.04526	1.0
270.01678	11.4
271.02072	1.3
281.01053	1.0
282.01413	0.7
283.02524	1.7
284.03238	2.1
285.04025	16.6
286.04419	1.8
295.47150	0.5
297.00748	1.0
297.04034	3.1
298.01175	5.0
298.04230	0.7
299.02310	0.7
299.05487	2.8
312.02820	2.2
313.03537	78.3
314.03915	8.7
314.07578	0.5
327.05173	5.9
328.05872	28.2
329.06076	3.0
342.07306	1.7
343.08212	100.0
344.08572	11.4
505.13556	29.0
506.13831	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	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56695	0.8
57.72734	0.7
59.01252	4.7
65.03828	1.2
67.01774	0.8
69.03303	1.1
69.80444	2.6
71.01240	2.2
72.99169	0.8
73.02811	1.0
75.00728	1.0
85.02812	1.7
91.05410	5.4
93.03336	2.5
95.01246	0.7
97.02813	1.1
98.20508	0.9
101.02337	0.8
102.85544	0.7
108.02049	8.9
109.02843	21.6
110.03146	0.9
113.02345	0.9
119.04881	1.1
121.02851	23.1
123.00793	0.8
123.04407	3.3
133.02802	1.8
135.04422	55.3
136.04741	2.0
137.02330	1.7
138.81696	0.7
147.00700	0.8
147.04417	11.8
148.01563	0.8
148.05190	1.6
149.02373	1.3
149.06020	0.9
152.01065	8.8
153.01799	2.1
160.01463	1.0
163.03958	1.6
165.01932	0.9
167.03453	4.6
173.06017	1.2
175.03874	1.7
187.07547	1.5
193.05014	2.5
198.06631	0.8
213.09181	2.2
215.07140	1.9
239.07077	1.7
242.05804	1.2
257.08179	100.0
258.08502	8.8
313.03595	1.8
337.09290	0.9
343.08206	3.0
383.97141	0.7
444.06998	0.7
461.14447	4.4
505.10196	3.3
506.03845	0.8
506.10776	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	503.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83460	0.8
72.43187	0.9
76.16870	0.9
78.95773	47.1
96.96845	3.5
98.89325	0.8
137.09581	0.8
150.97888	1.1
152.99493	59.1
153.99857	0.9
165.12802	0.9
171.00560	16.4
227.03275	3.1
231.21135	32.3
232.21495	3.1
245.04292	100.0
245.19156	1.7
246.04631	3.6
269.87900	0.9
275.20163	41.8
276.20428	4.4
441.33798	4.0
442.33176	1.2
503.24170	20.0
503.33551	8.9
504.24323	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
71.53197	0.3
76.48240	0.3
78.95802	0.4
80.33684	0.3
84.61599	0.3
115.01172	0.3
121.02847	100.0
122.03175	4.4
135.04405	0.3
135.13521	0.3
147.04407	0.6
152.99396	0.4
163.03900	0.4
180.05763	0.5
181.06508	3.2
197.06026	2.6
200.10919	0.3
207.04526	1.4
207.08092	0.3
223.03958	0.6
225.05505	2.8
227.66660	0.3
251.07109	0.3
257.09717	0.7
269.08084	0.4
300.02805	0.3
313.07141	5.0
313.10550	0.4
314.07697	0.6
357.05991	0.6
373.10873	0.5
383.07834	1.1
387.48648	0.4
417.09824	9.8
418.10178	1.2
431.18619	0.3
461.12405	0.7
505.11429	7.5
506.11685	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01254	6.5
71.01260	4.2
71.52878	0.6
73.02837	1.1
75.00748	3.6
80.15487	0.5
83.01265	0.8
85.02851	1.9
87.00778	1.5
89.02332	1.4
93.03362	0.5
94.02870	0.8
95.01263	0.5
97.02885	0.4
99.00777	1.2
101.02329	1.5
108.02023	2.2
109.02847	0.8
111.00799	0.6
113.02341	2.0
114.36754	0.5
117.03362	1.3
119.04926	0.8
121.02840	4.0
122.03691	5.7
123.00809	0.5
123.04433	2.9
125.02323	3.3
132.02061	12.7
133.02881	5.0
134.03635	22.9
135.04198	0.7
137.02336	1.4
138.01854	1.1
139.00247	0.5
145.02850	1.3
149.02394	1.1
149.05960	4.7
151.00281	1.4
151.03954	0.8
153.01801	2.2
153.79816	0.6
160.01570	69.6
161.02254	5.4
161.04433	0.7
162.02895	0.6
163.00345	0.5
163.03929	1.0
165.01904	0.5
174.03174	1.1
175.03923	100.0
176.04288	5.4
177.01805	2.5
178.02585	1.0
179.03424	1.3
191.05527	1.1
193.04990	25.5
194.05322	1.8
202.02670	1.4
211.03899	0.5
217.05013	1.8
225.05478	0.7
226.02617	0.6
227.03426	0.7
241.05060	1.2
242.05815	2.4
243.02997	1.2
243.06105	0.5
252.52930	0.4
254.02042	0.8
255.02974	4.1
256.03467	0.7
257.08157	5.7
258.08615	0.7
268.03772	0.7
270.01773	0.8
271.02493	6.0
272.02811	0.7
273.07697	0.6
283.05954	0.8
285.03842	1.3
298.01108	0.8
299.05972	0.4
299.09216	8.6
299.99457	0.8
300.02780	12.9
300.06113	1.2
300.09485	0.9
301.03476	6.5
301.06512	1.1
302.03763	0.5
313.03564	7.5
314.03802	0.9
322.07007	3.2
323.07758	4.3
327.05038	1.1
328.05698	2.6
329.06006	0.5
337.09262	33.5
338.09589	3.5
343.08200	18.7
344.08551	2.4
449.30759	0.5
461.14545	38.7
462.14813	6.4
473.11179	2.4
505.13120	9.7
505.25992	0.8
506.13870	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	503.1199
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01262	3.2
59.38873	0.5
71.53676	0.6
73.02813	0.6
73.10366	0.4
83.04915	0.6
84.41719	0.5
87.00721	0.5
91.01768	4.4
92.72285	0.5
93.03338	1.0
101.02330	0.7
108.02058	0.5
109.99982	0.9
113.02290	0.6
121.02888	0.5
123.00764	0.6
125.02238	0.5
133.06465	0.4
135.00777	7.6
148.01573	4.9
151.00308	0.5
152.01073	1.6
153.01846	4.4
158.03632	0.9
161.02356	1.0
163.00288	1.6
178.34068	0.4
178.99739	0.6
182.03632	0.6
183.04431	1.3
185.02409	1.3
187.03963	2.7
188.04556	0.6
189.01939	0.4
198.03244	0.8
199.04002	1.3
200.04790	1.3
202.44614	0.5
208.00037	1.8
209.00891	0.5
210.03218	1.0
211.03987	3.3
212.04800	2.7
213.01880	1.7
214.02679	4.2
215.03491	1.9
216.04182	0.6
227.03424	6.0
228.04152	2.0
231.22218	0.4
238.02672	1.0
239.03439	4.2
240.04227	6.5
241.04607	0.8
241.96230	0.5
255.02977	25.1
256.03690	6.9
266.02206	3.4
267.02899	0.9
283.02496	14.7
284.03271	97.3
285.03601	11.4
298.04758	1.4
299.05621	100.0
300.02493	0.7
300.05933	11.0
443.09839	1.8
461.11151	1.0
503.11957	49.7
504.12253	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01250	8.4
68.89071	0.9
70.80326	0.7
71.01260	7.3
72.99210	1.2
73.02834	1.1
85.02830	9.4
87.00755	5.4
88.70586	0.6
89.02303	4.6
93.03334	3.5
95.01274	1.0
98.19787	1.6
99.04374	1.7
101.02341	4.3
109.99186	0.7
113.02313	2.1
117.01852	1.3
119.03401	1.6
127.03935	2.0
129.01784	0.9
131.03369	2.2
143.03372	2.3
161.00835	1.4
161.04486	9.1
167.03436	1.2
173.04457	2.3
179.05551	2.3
191.05540	100.0
192.05908	4.3
193.05049	0.9
503.16327	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88407	0.3
59.01251	9.4
63.02245	1.0
65.00198	7.7
70.70069	0.3
71.01253	4.3
71.54617	0.6
72.99181	0.5
73.02786	0.9
75.42113	0.3
83.00895	0.3
83.01258	3.9
85.02808	1.5
87.00756	2.4
89.02323	0.9
93.03316	0.7
95.01231	0.7
97.02814	0.4
99.00742	1.0
101.02348	2.0
107.01273	10.8
109.02839	0.5
111.31199	0.4
113.02330	1.9
119.03329	0.4
119.04863	0.5
121.02855	0.7
125.02319	0.6
134.03629	0.4
135.00732	0.4
137.02373	0.6
145.02831	0.5
147.04422	1.5
148.01505	0.4
148.05031	0.4
149.02289	0.4
149.05966	0.7
151.00275	33.8
152.00612	1.3
153.01831	0.4
156.13310	0.3
161.02321	1.6
161.04420	0.5
161.05876	0.3
163.03932	0.6
169.01225	0.5
172.05289	0.5
173.04460	0.9
173.05911	0.6
174.03207	1.0
175.03871	0.5
189.05563	0.7
191.03317	0.7
191.14299	1.1
193.04958	0.7
196.05148	0.8
197.05907	0.5
198.03149	0.8
200.01024	0.8
203.03253	0.4
211.03967	1.0
212.04753	1.0
214.02737	0.5
215.03403	1.4
216.04211	1.4
222.03239	0.4
223.03947	0.4
223.13348	1.3
227.03452	0.8
231.06712	1.7
239.03523	0.7
240.04230	3.9
241.04903	0.5
255.02972	4.9
255.06531	0.9
256.03525	1.1
257.04471	0.4
259.09720	0.3
283.02457	3.5
284.03250	25.4
285.03662	2.7
297.04102	0.5
298.04755	0.6
299.05606	100.0
300.05948	10.1
329.23462	0.6
341.26767	0.4
343.08279	0.5
358.21579	0.4
359.27884	0.5
367.99274	0.4
443.09808	0.8
503.11969	22.3
503.32181	1.6
504.12344	3.2
504.18723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73015	0.8
54.03880	0.8
56.78059	1.2
59.01233	1.4
61.98703	100.0
62.56576	0.9
71.53672	1.5
73.03545	0.9
78.95769	1.5
79.95600	1.6
80.96404	3.2
145.85812	0.9
173.05966	1.6
277.21701	1.8
450.21725	1.7
459.22003	2.6
480.21152	1.1
481.21661	2.4
502.32599	2.5
503.33575	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03470	0.5
56.14626	0.5
61.98705	100.0
69.97427	2.9
71.01262	0.6
71.55663	0.6
79.95603	0.8
80.19293	0.5
80.96408	2.5
89.15687	0.5
98.19868	0.7
118.96130	0.7
121.02908	0.6
123.14622	0.6
134.83931	0.6
162.41759	0.7
187.32568	0.6
277.21646	0.7
378.97482	0.7
438.70221	1.1
450.21768	1.6
459.22733	1.7
481.21799	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
61.98704	100.0
63.91190	0.4
71.01271	0.8
78.95790	0.5
79.95623	1.0
80.95988	0.4
80.96388	2.1
82.71388	0.3
94.47778	0.3
103.67891	0.4
103.97655	0.4
113.95729	0.3
121.02859	0.4
140.98195	0.3
147.04485	0.6
170.67035	0.4
219.65797	0.3
225.00775	0.5
229.75653	0.4
277.21674	0.7
450.21936	0.7
459.22250	1.1
481.21951	1.3
502.32712	0.5
503.34042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33548	2.3
57.02915	2.3
59.01240	9.6
66.56535	2.4
70.68310	3.6
70.68665	4.9
71.01244	4.6
71.75542	2.4
73.02826	3.0
79.95633	2.5
80.96385	10.8
87.00771	2.5
94.97965	3.0
135.42195	2.4
164.98448	2.2
173.06017	4.5
187.11203	4.1
189.12769	8.1
205.15933	38.8
206.16310	3.4
225.00710	3.6
249.14920	8.6
277.21683	23.1
287.08716	2.4
291.23251	13.8
305.69083	2.3
371.44907	2.5
374.94708	2.7
395.29401	3.2
411.32751	5.5
419.20428	2.8
439.22476	4.4
455.24075	3.1
455.31622	5.6
456.31833	2.7
461.21967	5.1
499.30682	100.0
500.31003	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	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01581	1.5
71.01260	1.1
71.08230	1.2
71.08554	1.4
78.98431	1.0
80.96390	4.0
82.27769	1.0
91.03897	1.4
94.97935	1.2
138.09500	1.0
146.46379	1.2
173.06059	1.4
255.64363	1.1
298.58948	1.1
365.26944	9.6
380.64716	1.2
418.70465	1.4
419.20819	1.4
439.22363	3.4
439.72873	1.4
455.24380	1.2
461.21817	2.5
499.30667	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.8
71.01247	2.2
71.54394	0.4
72.99165	0.4
73.02826	0.6
75.00751	0.4
83.01266	0.4
83.04902	0.6
85.02835	1.5
87.00763	1.2
89.02331	0.4
93.03342	1.7
94.28865	0.3
99.00794	0.3
101.02328	1.3
105.03297	0.4
109.02830	0.4
110.09811	0.3
113.02327	1.3
115.40141	0.3
117.03345	2.1
119.04919	100.0
120.05253	4.3
121.02854	2.5
123.04438	0.6
132.02069	2.9
133.02863	4.1
134.03638	6.2
134.21040	0.3
135.04449	1.7
136.01518	0.4
137.02328	1.8
145.02847	3.7
147.04419	1.0
149.02313	0.4
149.06020	1.4
151.03918	0.5
159.04277	0.3
160.00226	0.6
160.01570	15.1
161.02356	15.1
162.02829	1.0
163.03923	53.2
164.04221	2.8
173.04518	0.4
175.03926	18.1
176.04337	1.0
177.01938	0.8
177.05489	15.3
178.02647	1.3
178.05826	1.1
179.03410	2.2
191.07010	0.5
193.04996	7.3
202.02635	0.4
203.03464	0.7
207.04604	0.4
209.15521	0.4
216.07646	0.3
217.05069	0.5
229.04276	0.6
240.66820	0.3
274.05978	0.3
307.08261	1.1
322.07010	0.7
323.07709	18.9
324.07980	1.8
327.12375	0.6
337.09317	13.8
338.09741	1.4
353.19669	0.6
397.09280	0.8
425.08524	0.4
483.18149	2.2
500.29935	0.4
501.13724	4.2
501.19376	0.5
501.30478	0.9
502.14862	0.9
502.22903	0.5
522.53833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82529	0.2
57.03319	0.4
59.01256	2.5
69.55513	0.5
69.55917	1.2
71.01259	2.7
72.99182	0.3
73.02813	1.5
75.00759	0.3
83.01254	0.5
85.02821	1.7
87.00762	0.9
89.02323	0.6
89.03844	1.2
93.03339	0.8
95.01240	0.4
99.00766	0.6
101.02330	3.0
106.04143	0.3
110.52951	0.2
112.35603	0.2
113.02347	1.2
117.02064	0.2
117.03352	4.8
118.03656	0.3
119.04961	0.3
121.02757	0.3
132.02065	3.6
133.02751	0.3
134.03633	81.0
135.03960	3.5
137.02351	1.2
143.03275	0.2
149.02301	0.3
149.05989	9.5
150.06310	0.5
160.01572	14.8
161.01953	0.8
161.04430	0.7
161.11369	0.2
163.03911	0.3
173.04539	0.2
175.03925	16.3
176.04298	0.9
178.02536	0.5
179.03348	0.3
191.05585	0.2
193.05002	100.0
193.06889	3.6
194.05341	5.3
194.07195	0.4
197.12091	0.2
223.07825	0.2
233.06490	0.3
325.11526	0.7
433.69620	0.2
501.16220	6.5
502.16464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	14.3
61.98698	2.7
69.35951	25.4
71.01248	8.8
72.92977	2.9
73.02802	7.0
78.95760	2.8
79.95632	2.8
80.96402	15.2
85.34345	3.1
98.20523	6.8
101.02324	3.9
101.83311	3.0
103.80717	4.0
119.01935	2.8
123.50738	3.2
152.99564	2.7
163.23347	3.1
189.12793	11.2
205.15932	41.2
206.16177	3.5
208.38995	3.7
222.25250	3.0
249.15013	7.2
273.22174	3.9
277.21732	34.5
278.22183	4.8
291.23303	22.3
319.22980	3.9
395.29477	4.5
418.70572	5.5
419.20764	3.3
439.22549	4.8
439.72253	4.4
455.23743	5.4
455.31689	8.7
461.21802	5.0
499.30655	100.0
500.31204	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	499.1461
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01250	3.9
60.99166	3.5
61.98699	1.7
63.88090	1.6
67.01763	10.5
69.03319	3.4
71.01254	5.0
71.52773	1.6
71.53128	2.8
72.99171	1.7
77.02013	1.6
81.03350	2.6
83.04929	2.5
85.02819	3.9
87.00749	15.8
91.15293	1.6
91.92757	1.7
93.03341	67.3
94.03654	4.4
99.00746	1.8
101.02370	2.2
111.04382	9.2
113.02348	2.3
119.04918	36.9
120.05269	2.1
129.01762	2.5
137.02327	2.0
153.01839	1.9
155.03445	3.7
159.61024	1.8
163.03912	17.3
163.74092	1.8
173.04449	14.9
191.05547	71.1
192.05925	2.9
205.04733	2.0
337.09357	14.1
379.10394	2.5
499.14587	100.0
500.15030	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	499.2915
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01751	1.0
57.73828	0.8
59.01252	52.7
60.01575	0.9
61.98672	1.2
69.03318	1.3
69.69286	1.8
69.69694	3.0
70.21098	0.7
71.01257	32.8
72.99178	2.5
73.02822	20.8
75.00756	1.0
76.60012	0.8
80.27530	0.7
83.01257	6.3
85.02833	8.5
87.00765	4.0
89.02319	6.9
89.70547	0.8
94.13772	0.8
95.01254	2.0
96.95862	0.9
98.20525	1.6
99.00761	1.2
101.02322	18.1
102.02673	1.0
111.00786	1.1
113.02340	8.8
119.03356	1.9
125.02344	1.3
141.19336	0.8
143.03362	1.0
147.04385	1.1
161.04457	1.9
203.32793	0.8
223.17033	3.9
277.21704	14.1
278.22147	1.6
295.22806	7.9
296.23135	0.9
398.00006	0.7
428.75369	0.8
439.27039	13.3
440.27463	2.3
457.28088	29.2
458.28458	3.4
499.29138	100.0
500.29559	17.3
525.79633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
57.03318	0.9
58.00471	1.7
59.01251	42.6
60.01585	1.2
61.21906	0.8
61.98700	2.6
65.00191	1.2
69.03322	0.9
71.01256	29.6
72.99183	2.7
73.02830	2.3
80.96401	1.2
81.52567	0.8
83.01255	1.0
84.04436	1.6
85.02827	4.6
85.99972	0.8
87.00750	11.5
89.02314	27.9
93.03327	1.0
95.01280	2.4
99.00761	1.1
101.02321	12.4
107.01273	1.8
113.02337	11.3
118.01475	0.8
119.03395	9.3
119.04848	1.0
121.02843	1.9
122.03619	1.3
125.02346	4.6
130.99757	2.7
131.03391	1.2
135.04419	1.8
137.02306	2.1
143.03433	2.1
145.02850	1.0
147.04436	3.9
149.02380	0.9
149.06030	1.1
151.00253	4.2
161.04488	4.2
163.03951	1.5
173.06102	0.9
175.03975	1.2
179.05540	9.2
179.06981	1.4
183.13728	1.0
191.03349	1.1
192.04315	1.5
193.05122	1.3
197.06055	0.9
201.09184	1.0
209.11826	2.2
211.13345	5.2
215.07008	1.1
225.09061	1.4
235.08180	1.1
239.42186	1.0
243.10242	1.1
243.21178	1.4
255.10248	1.3
271.20651	4.0
285.04044	3.8
289.21732	60.6
290.22113	8.2
293.06525	1.1
304.96805	0.9
310.14282	0.9
313.21686	1.0
315.16138	1.6
315.19635	16.5
316.20056	2.1
326.10565	1.0
327.21814	1.8
333.20715	100.0
334.21045	12.6
343.08020	1.1
343.15411	1.7
357.20596	1.6
369.13449	1.7
375.21732	10.9
376.22058	1.6
435.23978	1.3
447.16071	1.0
492.61505	0.9
495.18777	1.9
495.25888	9.4
496.19751	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	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23896	1.5
55.27681	1.4
55.59123	1.3
59.01253	5.4
67.01749	2.1
68.99688	1.4
69.03333	2.5
69.44481	10.8
71.01262	7.9
71.09529	1.6
72.99185	4.3
73.02847	2.5
75.00771	2.5
81.03287	3.0
83.01255	3.3
85.02843	4.5
87.00753	6.3
89.02332	2.3
93.03311	7.4
95.01268	4.6
97.02827	4.6
99.00735	3.3
101.02344	2.1
105.03326	3.2
107.04924	5.7
108.02080	5.3
109.02859	16.9
111.00758	3.4
111.04425	3.4
113.02344	5.4
119.04955	1.9
121.02853	17.2
122.03662	9.5
123.00778	11.9
123.04411	24.3
124.01563	10.0
125.02370	9.5
125.97424	1.6
133.01369	2.0
133.02832	3.3
134.03595	2.7
135.04442	11.4
136.01575	3.4
137.02336	26.3
138.03168	7.4
139.00258	3.6
139.03914	20.6
140.01051	2.2
141.01831	4.4
147.04420	3.4
148.01573	4.3
149.02348	27.4
149.05975	2.8
150.03134	23.3
150.04216	2.9
150.05501	2.0
151.00249	2.9
151.03920	36.5
152.01070	6.8
153.01860	12.1
159.04407	2.3
161.02361	9.2
162.03175	5.3
163.00307	1.6
163.03934	23.8
165.01839	23.9
165.05508	4.7
166.02695	10.8
167.03407	41.0
168.00471	7.3
169.01376	5.4
173.04433	2.2
174.03004	2.0
175.03951	2.5
176.01065	3.3
177.01860	10.7
178.02649	5.3
179.03412	37.6
180.00560	1.9
180.03850	3.1
181.01350	3.4
181.05002	3.5
182.02113	5.6
183.02866	2.8
187.03960	1.9
188.04669	1.8
189.01906	3.7
189.05513	2.0
190.02655	3.7
191.03444	10.9
191.05286	3.2
192.04118	2.4
193.01381	7.6
193.03368	1.7
193.04984	9.0
194.02196	8.0
195.02927	10.5
197.04509	3.0
198.01653	3.4
201.05611	2.5
203.03455	3.0
203.07011	1.6
206.02126	3.7
207.02928	100.0
208.03485	8.7
209.04489	11.4
211.06021	3.2
219.02850	7.4
220.03677	2.3
221.00958	2.0
221.04510	5.8
223.02385	2.3
225.03886	2.8
233.04556	3.3
237.04021	4.5
238.04628	2.6
251.05641	2.5
267.07123	2.2
269.04431	1.8
273.12323	2.0
283.05997	2.3
301.07388	2.0
313.07095	2.5
315.08871	2.7
317.11624	3.4
319.08344	2.1
327.07211	16.0
328.07959	44.7
328.11954	2.2
329.08167	2.7
331.08084	3.9
333.09641	3.3
334.06900	2.2
345.09842	5.2
359.07751	20.5
360.07718	2.9
361.09109	2.8
372.08957	2.3
377.08701	14.9
389.08978	2.3
407.09451	2.4
438.87158	1.5
453.14648	1.8
479.12036	6.2
497.12991	27.9
498.13046	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	493.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27986	0.3
57.01727	0.3
59.01255	100.0
60.01590	1.3
62.81717	0.4
66.12441	0.3
69.51642	1.0
69.52062	1.5
71.01254	1.9
73.02834	1.1
73.71210	0.3
83.01266	0.5
85.02841	1.7
88.93626	0.4
89.02311	0.6
99.00767	0.6
101.02314	2.6
107.95504	0.4
113.02341	1.2
114.71322	0.4
161.04544	0.5
191.05605	1.4
194.14859	0.4
222.21194	0.3
226.06223	0.3
233.39372	0.4
245.78937	0.4
247.60793	0.4
372.57367	0.4
373.22302	2.3
391.23407	2.3
392.24011	0.5
433.24371	3.8
434.24594	0.6
493.18240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	32.7
69.67328	8.7
71.01238	7.1
72.99184	2.0
75.61879	1.4
76.14616	1.5
85.02813	2.3
87.00752	90.9
87.04394	5.4
89.02325	2.0
93.03325	1.7
98.19771	1.8
101.02285	2.2
103.03876	9.7
109.02781	1.8
113.02377	2.1
119.04916	2.8
121.02859	3.0
122.03671	3.5
123.04411	4.3
125.02315	2.6
125.09615	2.0
130.99744	10.3
135.04381	3.4
136.05191	5.8
137.02319	3.5
145.02895	2.8
146.03639	6.9
147.04401	5.3
148.05147	3.3
149.05975	15.7
150.03180	2.4
152.98524	1.6
153.01868	3.6
159.04431	6.1
160.01578	2.3
160.05266	2.1
161.05972	3.7
162.03163	6.1
162.06744	2.5
163.03954	8.5
163.07539	2.9
164.04721	7.3
165.05447	2.4
168.26984	1.8
172.05203	3.9
173.05991	5.4
174.03133	5.4
175.03905	5.3
175.07603	7.7
177.05530	9.5
185.05916	1.8
186.06746	2.6
187.03940	3.8
187.07550	4.9
188.04750	10.1
189.05460	5.7
190.02856	1.9
191.03445	2.5
191.07021	3.3
197.11810	3.2
199.07539	2.8
201.05478	2.5
201.09187	2.3
203.07079	5.5
204.04274	1.6
205.08603	2.8
211.13512	1.8
213.05455	3.1
213.09163	2.4
214.06340	2.6
215.07101	4.5
215.12775	5.6
217.08861	2.0
219.06537	2.0
231.06596	2.7
241.08696	3.9
242.09396	2.3
254.04286	8.4
259.17035	2.9
260.10605	1.9
272.68478	1.5
285.14807	7.8
287.16415	2.0
295.13327	2.6
301.14200	2.9
303.16016	6.3
309.07645	2.3
311.16455	2.7
313.14496	8.1
317.17502	6.5
319.15271	2.4
321.11447	2.0
321.14853	1.7
329.17609	4.3
331.15457	8.9
335.18826	3.1
339.15912	4.1
341.13876	2.1
345.17184	4.1
353.06622	2.1
357.17108	7.0
363.18021	3.3
375.18103	2.1
383.14859	2.2
389.19952	1.8
389.84964	1.7
391.17493	2.4
419.17123	2.5
433.18488	2.4
435.16614	5.4
459.16510	4.0
463.16092	14.6
477.17795	5.2
495.18756	100.0
496.18942	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	493.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91840	0.3
59.01244	1.2
65.03819	0.5
67.01755	0.3
71.01252	0.4
82.51038	0.3
87.00776	0.7
91.05409	1.7
93.03331	0.6
95.01284	0.5
98.19831	0.7
101.02267	0.3
108.02059	1.3
109.02843	19.6
110.03203	0.8
121.02841	5.7
122.03727	0.4
123.04422	3.5
133.02817	0.6
134.03595	2.3
135.04417	27.0
136.04736	1.4
146.03645	0.6
147.04440	5.1
148.04659	0.3
149.05991	6.8
186.06754	1.0
187.07582	0.5
197.06070	1.8
201.09062	0.5
203.07182	0.7
203.10600	0.8
211.07585	0.4
212.08369	1.2
213.05630	0.5
214.06276	1.4
215.07143	0.5
225.09290	0.5
227.10802	0.5
229.08783	1.6
238.06329	1.6
239.06999	0.5
241.05109	1.4
243.10298	0.8
244.10846	0.4
253.08673	2.1
255.06531	0.7
256.07480	2.0
271.09753	100.0
272.10089	9.4
442.15216	0.3
493.21271	0.4
493.29916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.6
61.98703	1.8
71.01241	3.6
73.02804	2.1
75.00733	1.5
87.00749	15.4
91.05399	9.8
93.03306	2.2
99.00732	1.3
101.02316	2.0
105.03345	2.3
108.02037	1.7
109.02829	15.5
113.02322	1.3
119.04915	1.3
121.02832	10.7
122.03610	3.0
123.04389	3.1
130.99731	3.5
131.04886	1.6
134.19897	1.5
135.04416	90.4
136.04770	6.1
137.02316	4.8
138.03122	1.9
139.03911	1.5
147.04420	19.7
148.05099	5.7
149.02307	3.1
149.05997	15.3
150.06728	1.9
151.03937	2.1
153.05461	4.8
159.04453	3.0
161.02516	1.2
161.17288	1.2
163.03885	3.0
164.04675	3.6
171.10197	1.6
173.05998	3.9
179.07042	8.3
185.06081	1.2
187.07616	2.4
191.03348	2.2
192.04152	2.5
193.05022	12.6
200.08302	1.6
201.09097	3.8
202.06248	2.1
209.11653	2.8
211.13353	3.9
225.09158	1.9
225.11336	1.6
239.16550	2.4
243.10306	2.5
249.80750	1.2
261.42554	1.4
269.08081	2.7
271.06128	2.3
301.10809	100.0
302.11127	12.1
357.16922	1.3
360.47110	1.4
414.11304	1.5
417.18759	1.9
421.47607	1.4
433.14920	5.9
464.86411	1.3
493.20584	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	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83533	0.4
59.01252	24.9
60.01594	0.4
61.98709	1.2
65.03835	0.6
66.62323	0.4
66.70564	0.4
71.01261	2.0
71.54454	0.6
73.02853	1.1
74.36048	0.4
85.02833	1.5
87.00768	3.4
87.04364	0.4
89.02306	0.9
91.05417	1.8
93.03323	1.0
95.01266	0.4
97.02859	0.5
97.06521	0.5
99.00729	0.5
101.02326	1.0
103.93511	0.4
108.02049	1.9
109.02843	16.4
109.03609	0.8
110.03181	0.7
111.00755	0.8
113.02351	1.0
121.02837	4.7
123.04396	3.2
133.02850	0.5
134.03668	2.3
135.04414	24.9
136.04729	1.2
137.02385	0.5
146.03577	0.7
147.04422	4.9
149.05984	6.7
151.03937	0.6
157.06471	1.3
159.04382	1.4
161.04527	0.5
161.05923	0.7
162.41115	0.5
163.03914	0.6
169.38829	0.5
173.05946	1.1
174.03064	0.8
175.03929	0.9
186.06879	0.7
187.07620	0.8
188.04671	0.5
189.01836	0.5
189.05569	0.8
193.05006	0.6
197.05971	1.4
200.04637	0.5
201.05614	0.7
201.09198	0.7
203.07079	0.6
204.04150	0.5
211.07603	0.8
212.08412	1.0
213.05498	0.5
214.06271	1.6
215.07043	0.4
229.08595	2.3
231.06490	0.5
238.06200	0.8
239.07010	0.5
241.05011	1.6
253.08640	0.9
256.07367	3.0
271.09753	100.0
272.10107	9.5
287.09329	0.6
288.09470	0.7
289.09982	1.0
308.28275	0.4
311.09152	0.5
327.12341	1.2
375.27377	1.0
397.09460	0.5
441.08572	0.5
461.14600	0.8
493.11163	1.1
493.17505	0.6
493.29816	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	493.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.5
57.03313	6.3
59.01249	37.2
67.23298	2.4
68.99698	5.1
69.40340	10.8
69.40761	10.8
69.47001	2.9
69.85484	2.2
71.01252	48.6
72.92984	2.4
72.99184	11.9
73.02842	5.2
75.00746	26.4
85.02824	36.2
87.00761	22.1
89.02316	15.0
93.03342	8.1
93.80235	2.5
95.01283	8.8
97.02876	3.1
98.20509	6.6
99.00758	16.6
101.02338	3.9
102.68916	2.9
103.00258	4.7
105.03329	3.8
108.02064	6.3
109.02833	5.8
111.00755	3.9
111.04357	3.1
113.02332	54.6
117.01799	3.8
118.45695	2.7
121.02857	12.0
123.00778	10.6
123.04404	9.1
124.01527	7.7
125.02336	2.6
129.01866	3.1
134.03661	3.8
135.00832	2.8
135.04416	4.9
136.01512	5.8
137.02348	12.1
138.03108	6.1
139.03917	9.1
140.37309	2.7
141.01884	2.9
148.01569	7.2
149.02391	14.2
150.05550	3.5
153.01915	3.3
153.05502	4.2
154.73346	2.7
163.03928	8.1
164.01073	4.1
165.01880	4.2
166.02632	12.8
167.03333	2.9
173.04456	6.1
175.02406	4.4
181.04962	15.1
191.05415	3.7
192.00560	12.2
193.01353	11.5
206.99187	3.2
207.02979	6.6
234.81911	2.7
249.06093	28.8
267.07202	100.0
268.04651	2.8
268.07504	7.5
269.12997	4.8
319.21158	3.2
331.13037	8.6
371.12546	3.7
413.25824	2.9
443.11880	7.0
493.11942	4.2
493.18848	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
56.18750	0.3
57.03336	1.0
58.00474	0.5
58.53730	0.3
59.01253	26.1
60.75826	0.3
69.03355	1.2
69.19696	1.5
69.20127	1.6
69.83225	0.4
69.98661	0.3
71.01256	11.4
72.99205	1.3
73.02820	3.6
75.00751	0.4
79.68580	0.3
81.03358	0.4
83.01250	2.1
85.02824	5.3
85.03275	0.3
87.00753	3.4
89.02338	1.0
95.01308	1.0
97.02856	0.8
99.00791	1.5
101.02324	6.1
104.67024	0.3
106.64824	0.3
111.00777	0.7
112.01591	0.6
113.02326	2.9
113.09645	0.7
119.03387	0.3
124.01576	1.1
125.02373	1.5
127.11185	0.8
141.12750	0.4
143.03416	0.6
143.10683	0.5
147.04424	0.6
148.30910	0.3
161.04567	0.3
172.05396	0.4
191.03410	0.3
193.05020	0.5
215.12305	0.4
239.20248	0.4
241.21820	0.8
269.21210	2.3
271.22858	0.6
285.20755	0.9
287.22290	31.0
288.22638	2.9
299.22330	0.8
301.23807	0.9
329.23407	1.0
345.00568	0.4
402.66241	0.3
413.25482	0.5
431.26465	17.7
432.26773	2.5
449.27551	42.2
450.27838	5.6
473.27362	0.4
491.28610	100.0
492.28925	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	47.7
71.01247	17.3
71.54581	8.0
73.02820	13.8
82.25362	4.2
85.02818	14.6
87.00751	23.9
99.00790	5.9
101.02327	14.2
109.02835	18.2
111.00836	4.9
113.02341	7.6
121.02839	12.4
123.04388	5.6
135.04401	36.6
147.04372	16.2
149.05991	28.9
151.03897	13.5
155.26561	4.7
159.04523	6.4
172.05193	11.0
173.06111	8.9
182.23535	6.3
186.06743	6.8
189.05379	6.8
193.04991	11.4
196.05353	5.8
197.05931	8.2
201.05574	7.9
201.09088	7.4
216.07809	5.9
243.10378	5.1
271.09741	100.0
272.09967	6.6
287.22284	16.5
288.22528	16.7
297.14990	8.9
323.16751	5.0
326.10086	6.2
345.16644	6.4
355.18875	8.2
388.20193	5.2
417.19156	24.0
431.26172	6.2
432.26642	18.4
433.15173	5.8
433.26868	11.5
450.27881	32.6
451.28568	26.3
461.18832	5.2
492.29022	66.6
493.20911	18.3
493.29208	74.0
494.29114	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	100.0
60.01600	1.3
69.51794	4.0
70.68887	0.5
71.01252	4.0
75.00766	1.6
78.26232	0.5
85.02831	2.8
87.00766	1.3
89.02335	1.3
91.18938	0.6
99.00751	1.3
101.02331	1.4
103.32897	0.5
108.02060	3.3
109.02877	1.4
113.02314	3.0
125.02482	0.7
134.03680	1.5
135.00832	0.8
137.09689	0.7
152.01085	3.9
153.01874	3.1
160.01611	1.2
161.02374	1.0
161.04510	1.3
175.03967	1.5
179.10686	0.6
227.16682	0.7
249.06155	1.8
267.07190	0.9
310.58984	0.5
311.87503	0.5
345.82828	0.6
371.20676	2.9
389.21790	3.5
390.22589	0.6
431.22687	3.9
432.84909	0.6
491.11993	4.4
491.18027	10.4
492.11859	1.1
492.17920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04576	1.4
57.03333	2.4
59.01251	100.0
60.01585	1.6
61.98707	2.2
65.36564	1.5
68.99677	1.7
69.03319	2.0
71.01254	13.6
72.99186	4.1
73.02819	2.8
73.39637	1.7
75.00745	8.0
85.02827	9.2
87.00751	7.6
89.02320	3.8
93.03356	1.9
93.81506	1.5
95.01282	4.2
97.02785	1.8
97.06457	1.8
99.00769	6.5
99.04417	2.6
101.02321	4.5
102.54044	1.7
103.00224	1.6
108.02098	2.0
109.02872	4.2
113.02355	11.7
119.03444	1.6
121.02850	1.9
125.02346	2.9
125.75454	1.3
134.03641	1.8
137.09589	3.6
147.35715	1.7
149.02312	2.4
151.00290	4.9
153.01830	8.1
153.80768	1.7
156.15575	1.5
161.02367	3.4
161.04544	2.8
173.04489	2.9
175.02461	1.7
178.99754	7.4
179.10680	3.0
181.08589	2.4
195.99971	1.8
197.11726	2.0
249.06078	7.6
267.07220	6.6
300.02594	2.5
303.09369	1.7
315.07205	5.4
315.14648	1.9
329.06516	1.5
357.14664	2.0
386.93945	1.5
431.15024	2.4
431.22794	3.9
491.11124	6.1
491.17758	46.2
492.18143	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03322	1.6
58.00471	0.8
58.49518	0.4
59.01252	49.6
60.01588	0.5
60.88101	0.4
61.24587	0.4
61.98704	0.7
65.08227	0.4
68.99699	0.7
69.03328	1.1
71.01257	13.8
71.52898	0.4
72.99176	1.8
73.02822	4.0
73.45045	0.3
75.00759	0.6
83.01257	2.6
85.02823	7.0
85.99976	0.9
87.00758	6.5
88.03894	0.7
89.02318	2.5
93.03339	0.7
95.01279	1.4
97.02831	1.2
99.00764	1.8
101.02332	7.2
102.02660	0.5
108.02027	0.9
109.02830	0.5
111.00777	1.0
112.01541	0.9
113.02343	5.1
113.09613	1.4
119.03416	1.1
119.04905	0.9
120.95638	0.4
121.02846	7.0
123.04428	0.5
124.01517	2.0
125.02370	2.0
127.11181	1.1
133.02817	0.7
135.04404	0.4
137.02336	1.1
142.02647	0.5
143.03429	0.6
143.10669	1.0
145.02867	0.6
147.04439	1.7
149.05963	0.8
151.03893	0.5
153.01923	0.5
159.04410	0.4
161.02371	0.8
163.03917	0.5
173.04550	0.5
173.06023	0.8
175.03943	0.8
177.01830	0.9
189.01822	0.5
193.05025	0.7
201.05490	0.6
227.06914	0.5
239.20032	0.6
241.21736	0.5
269.21191	5.9
270.21683	0.5
271.22751	0.6
282.98477	0.4
283.22968	0.4
285.20694	0.7
287.09253	0.6
287.22281	44.5
288.22607	4.6
290.05640	0.4
299.22247	1.7
301.23755	0.9
315.05292	0.5
329.23392	1.2
359.28049	1.2
389.07092	0.4
415.13974	0.9
431.26498	21.9
432.26987	3.3
449.27551	47.3
450.22006	0.3
450.27838	6.6
450.54532	0.5
461.05347	0.7
463.06598	0.5
491.28604	100.0
492.28952	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84586	0.4
57.03323	1.1
59.01252	100.0
60.01588	1.3
60.99188	0.5
63.02271	1.0
65.00197	9.8
67.01768	0.8
69.03325	0.6
71.01257	8.2
71.54417	0.4
72.99205	0.7
73.02812	2.5
75.00761	1.4
79.05399	0.5
81.03350	0.6
83.01262	7.3
83.04882	0.5
84.69130	0.4
85.02840	2.8
85.41564	0.4
87.00745	3.8
89.02312	4.5
93.03336	6.6
95.01266	0.6
97.06461	0.7
99.00771	1.5
101.02329	5.7
105.03329	0.6
107.01274	18.0
107.04913	1.0
108.02102	3.0
109.02859	3.0
111.04426	0.9
113.02321	4.0
117.03397	0.4
119.03396	1.7
119.04900	0.7
121.02850	2.0
121.06490	1.5
122.03525	0.5
122.06108	0.5
122.25195	0.4
123.04413	4.3
125.02341	5.1
129.01866	0.7
130.99860	0.4
133.02878	1.2
134.03625	2.4
135.04417	64.2
136.04730	4.0
137.02370	0.9
143.03329	0.5
145.02831	0.6
147.04428	1.6
149.02370	1.7
149.04399	0.7
149.05988	1.3
150.03110	1.4
151.00276	94.9
151.03815	3.9
152.00739	4.9
153.01825	1.4
155.03348	0.5
158.19180	0.4
160.01569	1.8
161.02420	2.3
161.04477	1.9
163.03947	2.7
164.04707	1.8
165.01903	1.1
165.05482	10.7
166.02661	0.5
166.05856	0.5
167.03438	1.0
169.01360	2.4
171.10170	1.2
173.04506	3.2
173.05859	0.7
175.03912	2.3
176.04214	0.7
177.01845	1.4
177.05537	2.8
179.44579	0.4
181.05005	0.6
191.03622	0.5
191.05511	2.5
192.04198	0.6
193.05002	17.3
193.06802	0.8
194.05376	1.6
203.03441	0.7
205.04997	4.0
211.13315	2.1
223.06062	1.5
227.03488	0.6
227.16637	0.5
243.06573	0.6
245.04402	0.5
255.06767	0.5
269.04587	0.7
270.01627	1.0
271.02390	0.6
272.06943	0.9
285.03961	1.5
286.04266	0.5
287.05637	73.8
287.09039	4.4
288.03094	0.8
288.06000	8.3
288.09308	0.5
313.03586	2.7
317.19754	0.8
319.05716	0.5
327.08768	0.6
329.06866	0.8
329.10278	17.3
329.14243	0.8
329.23407	0.6
330.10486	2.1
343.21130	0.7
359.11331	5.5
360.11676	0.6
371.20636	3.1
373.18582	0.6
389.21848	5.2
390.22351	0.8
395.10828	0.5
431.09424	0.6
431.22882	3.1
431.29913	0.6
491.11920	13.7
491.28555	2.7
492.12073	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	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54062	0.2
59.01252	100.0
60.01585	1.5
60.69894	0.2
63.09276	0.2
68.13698	0.2
69.41534	1.6
71.01252	1.3
72.99203	0.3
73.02821	0.4
75.00741	0.2
76.52122	0.2
83.01260	0.4
83.35981	0.2
85.02818	1.0
87.00761	0.5
89.02352	0.9
95.01299	0.3
99.00781	0.3
101.02349	0.9
108.02052	0.3
109.02849	0.6
113.02345	0.7
115.00261	0.3
121.02838	0.3
122.06046	0.2
125.02331	0.4
127.93968	0.2
134.06047	0.3
135.04361	0.3
137.02373	0.3
137.28474	0.2
140.06456	0.2
146.03653	0.2
149.02400	0.3
150.03140	0.3
152.07115	0.5
153.01855	0.5
161.04465	0.5
175.02428	0.3
179.05608	0.2
180.20448	0.2
192.06636	0.6
249.06081	0.4
267.07333	0.3
274.45578	0.2
314.04251	0.4
315.07263	0.7
329.06848	0.6
357.14627	0.7
389.21967	0.4
431.22607	0.4
491.11914	0.4
491.17859	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	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01252	100.0
60.01591	1.3
68.78149	0.4
71.01255	4.6
71.54725	0.7
72.99144	0.4
73.02827	1.2
75.00746	0.9
83.01229	0.9
85.02838	2.1
87.00763	3.1
89.02321	1.1
93.03336	0.4
99.00789	0.7
101.02328	2.7
108.02060	0.7
109.02843	2.0
113.02356	1.4
118.64140	0.4
121.02870	3.1
122.03633	0.7
123.04420	1.9
124.01562	1.7
125.02386	2.0
131.73192	0.5
133.02847	0.6
134.03610	0.5
135.04431	2.9
136.01591	0.7
137.02332	2.7
147.04424	1.3
147.29851	0.4
149.02379	2.7
149.05997	3.3
150.03140	2.0
151.03929	12.5
152.01102	0.4
152.04271	0.5
159.04427	0.4
160.01622	0.5
162.11203	0.4
163.03893	0.8
173.06047	0.6
175.03931	0.6
191.03491	0.7
193.04970	0.9
211.13396	0.4
225.14554	0.4
269.21259	1.3
271.06119	0.5
286.08456	4.1
287.09253	16.8
287.22278	9.0
288.09637	2.6
288.22656	1.2
299.22229	0.5
359.28110	1.1
394.16370	0.4
431.26535	3.9
431.41846	0.4
432.26428	0.6
449.27597	10.0
450.28137	0.5
491.15698	3.0
491.28720	22.4
492.15933	0.7
492.29019	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51114	0.4
55.72558	0.5
55.84756	0.4
57.03331	0.6
59.01255	100.0
60.01578	1.0
69.03325	1.0
69.53015	2.8
71.01261	13.5
72.99220	0.7
73.02824	17.2
74.03182	0.4
75.00764	0.6
83.01256	5.7
85.02839	2.0
87.00769	1.9
89.02318	3.8
95.01274	0.7
96.68858	0.4
97.02835	0.4
98.20487	0.8
99.00797	0.9
101.02332	18.9
111.08067	1.0
113.02332	7.1
116.41527	0.4
119.02705	0.5
119.03384	2.3
119.69494	0.4
121.02919	1.2
123.04468	0.9
125.02356	1.0
131.03450	1.0
134.03697	0.4
137.02388	1.1
143.03412	2.4
143.85432	0.4
147.04527	0.5
149.04462	2.8
151.03931	3.9
152.01125	0.5
153.01772	0.5
153.09120	5.3
155.03365	0.5
159.04506	0.5
161.04472	7.7
175.03960	0.5
203.05565	0.8
207.03053	0.8
209.15430	6.2
210.15948	0.4
221.06712	1.8
222.05397	1.0
227.16583	0.8
237.07738	0.7
265.05405	1.5
287.09427	0.6
316.07123	0.5
355.10394	0.8
371.20728	5.2
389.21872	2.5
390.22040	0.5
431.22672	8.9
432.23553	1.5
449.27499	0.6
486.26126	0.5
491.12280	1.5
491.28668	5.7
492.29077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68803	0.7
57.03315	1.8
59.01252	100.0
60.01581	1.4
65.68114	0.7
68.99712	0.9
69.03339	1.4
71.01256	7.8
71.53206	0.9
72.99185	2.3
73.02828	2.5
75.00747	4.2
83.01289	0.8
85.02819	6.3
85.47436	0.7
87.00768	3.0
89.02325	2.7
90.26991	0.7
91.01781	0.8
92.68484	0.7
93.03365	1.7
95.01292	1.6
97.02859	1.0
99.00768	2.2
99.04392	0.9
101.02345	2.6
108.02054	8.2
108.02592	0.7
109.02844	16.7
113.02338	6.7
115.00299	0.8
117.01843	0.9
121.02867	1.1
123.04436	2.1
125.02374	1.5
133.02823	0.9
134.03607	4.6
135.00844	2.4
137.02248	0.8
137.09648	2.2
147.04416	0.8
149.02422	1.3
151.00240	0.8
151.03972	2.0
151.99185	0.8
152.01070	12.7
153.01834	23.0
154.02199	1.2
160.01602	3.8
161.02382	2.3
161.04485	1.0
163.03964	0.9
171.10243	0.9
173.04584	2.3
175.03888	3.8
177.01804	1.1
179.03444	0.8
179.10739	0.9
181.08649	1.2
191.03931	1.0
191.05548	7.6
193.05019	2.4
197.11818	1.5
209.11848	0.7
216.93701	0.7
240.33966	0.8
249.06058	4.5
267.07065	3.4
297.06274	2.9
313.03638	1.7
315.07230	28.2
315.14740	1.0
316.07651	2.4
317.19928	1.7
329.06711	1.3
371.20883	1.5
389.21948	2.8
431.15442	1.3
431.23093	3.2
473.16803	1.2
491.11871	14.0
491.17996	26.5
492.11914	3.0
492.18451	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43833	0.3
55.01760	0.5
57.03325	2.3
58.00473	0.4
59.01254	100.0
59.91219	0.3
60.01592	1.3
66.81255	0.2
67.01778	0.5
68.99687	0.7
69.03347	0.8
71.01257	8.2
72.99190	2.8
73.02838	1.2
75.00749	7.2
81.03310	0.4
83.01278	0.5
83.04898	0.6
85.02830	8.8
85.43695	0.3
87.00758	4.7
89.02311	2.5
89.36957	0.3
91.03902	0.5
93.03336	0.4
95.01260	2.1
97.02837	0.6
98.20550	0.9
99.00759	5.3
99.04397	1.3
101.02343	0.9
103.00298	0.7
109.02859	0.4
111.00799	0.3
113.02338	10.4
114.02709	0.4
115.00276	1.3
117.01830	1.1
118.41477	0.3
119.08575	0.7
129.01859	1.1
135.04443	0.5
135.08083	0.4
135.11691	0.8
137.09615	4.2
153.01862	1.1
153.09143	0.7
157.01398	0.5
161.02339	0.3
161.09665	0.9
163.07594	0.9
173.04515	0.5
175.02486	1.3
175.03844	0.3
179.10696	3.5
181.08638	3.3
189.03992	0.3
191.05659	0.4
197.11800	2.5
223.09685	0.8
226.02620	0.3
231.05154	1.0
241.10933	0.7
242.02200	0.4
249.06152	8.5
250.06541	0.3
267.07236	7.0
268.07501	0.5
270.01636	0.5
285.04117	1.3
299.05411	0.4
313.03561	2.4
314.03778	0.4
315.07391	0.4
315.14633	2.1
328.06140	0.5
329.06644	1.1
429.17789	1.8
431.15692	2.1
431.22583	0.5
455.16202	0.3
471.88339	0.3
473.16586	1.9
491.17770	57.2
492.11923	0.6
492.18085	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
57.43775	0.4
59.01254	100.0
60.01586	1.8
65.03838	1.6
67.01770	0.8
69.03338	0.5
69.34927	0.3
71.01256	4.8
71.54372	0.5
72.99173	0.6
73.02829	1.5
75.00756	1.1
79.05391	0.6
81.03333	0.5
83.01277	0.9
83.04936	0.5
85.02833	2.2
86.44315	0.4
87.00761	7.6
89.02328	1.9
91.05424	2.2
91.42815	0.4
93.03337	2.4
96.36234	0.3
97.02850	1.3
99.00783	0.6
101.02317	3.6
103.05432	0.7
105.03355	0.4
108.02040	3.4
109.02842	30.7
110.03172	1.1
111.04483	0.4
113.02334	2.8
119.03400	0.7
119.04909	0.9
121.02852	6.7
122.03617	0.5
123.04411	4.2
124.01559	6.7
124.04871	0.5
125.02383	0.8
126.53664	0.4
128.03444	0.4
130.99767	2.1
133.02873	1.2
134.03664	1.1
135.04419	20.0
136.01601	2.2
136.04752	0.8
137.02327	2.9
138.03117	0.5
139.03912	8.4
143.03473	0.5
145.06497	1.4
147.00865	0.5
147.04419	8.9
149.02400	2.2
149.05988	0.8
150.03142	6.4
151.03923	23.6
152.01047	1.4
152.04269	1.2
153.01901	0.5
159.04471	0.4
161.02263	0.7
161.04471	0.8
162.03157	2.3
163.03926	2.4
164.04668	0.6
165.05486	9.7
165.06882	0.8
166.05798	1.0
167.03398	0.9
172.05200	0.6
173.04501	0.8
173.05894	0.5
174.03120	0.5
175.03929	1.1
177.05511	7.0
179.03383	1.8
179.06985	0.4
185.05998	0.6
189.05547	1.5
191.03436	1.3
191.05580	4.9
193.05009	1.2
201.05597	0.5
203.03506	0.6
204.04277	0.5
205.05109	0.9
207.02937	8.7
208.03516	1.8
209.15379	0.7
211.07597	1.6
213.05489	0.8
215.03479	1.5
217.01317	0.7
219.06729	0.6
222.05287	7.0
223.06027	1.3
224.04768	0.5
225.05569	0.6
226.06355	0.5
227.03474	4.2
227.07014	0.7
227.16463	0.5
228.04172	1.8
228.07852	0.9
229.01369	0.5
229.04935	1.1
230.05797	0.6
237.07628	6.1
239.06958	0.5
241.05125	2.2
242.05788	2.2
243.06528	1.3
245.08325	0.5
255.06612	1.6
256.07254	0.6
257.08203	1.1
268.07428	0.6
269.08273	0.9
272.06677	0.4
283.09753	0.8
286.08527	0.7
287.09268	90.2
288.09628	8.4
299.01935	0.5
329.10483	0.9
330.10938	0.4
341.10339	1.7
343.25043	0.5
353.13943	1.5
355.10403	3.1
371.10449	0.9
371.15012	14.3
371.20645	3.4
372.15237	1.9
373.26001	5.6
389.21814	3.5
390.22156	0.5
397.09363	0.8
431.08826	0.5
431.13821	1.1
431.22363	2.1
449.14581	1.4
459.09302	2.1
491.12173	5.6
491.28516	4.1
492.11612	1.0
492.28610	0.9
508.45435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68803	0.7
57.03315	1.8
59.01252	100.0
60.01581	1.4
65.68114	0.7
68.99712	0.9
69.03339	1.4
71.01256	7.8
71.53206	0.9
72.99185	2.3
73.02828	2.5
75.00747	4.2
83.01289	0.8
85.02819	6.3
85.47436	0.7
87.00768	3.0
89.02325	2.7
90.26991	0.7
91.01781	0.8
92.68484	0.7
93.03365	1.7
95.01292	1.6
97.02859	1.0
99.00768	2.2
99.04392	0.9
101.02345	2.6
108.02054	8.2
108.02592	0.7
109.02844	16.7
113.02338	6.7
115.00299	0.8
117.01843	0.9
121.02867	1.1
123.04436	2.1
125.02374	1.5
133.02823	0.9
134.03607	4.6
135.00844	2.4
137.02248	0.8
137.09648	2.2
147.04416	0.8
149.02422	1.3
151.00240	0.8
151.03972	2.0
151.99185	0.8
152.01070	12.7
153.01834	23.0
154.02199	1.2
160.01602	3.8
161.02382	2.3
161.04485	1.0
163.03964	0.9
171.10243	0.9
173.04584	2.3
175.03888	3.8
177.01804	1.1
179.03444	0.8
179.10739	0.9
181.08649	1.2
191.03931	1.0
191.05548	7.6
193.05019	2.4
197.11818	1.5
209.11848	0.7
216.93701	0.7
240.33966	0.8
249.06058	4.5
267.07065	3.4
297.06274	2.9
313.03638	1.7
315.07230	28.2
315.14740	1.0
316.07651	2.4
317.19928	1.7
329.06711	1.3
371.20883	1.5
389.21948	2.8
431.15442	1.3
431.23093	3.2
473.16803	1.2
491.11871	14.0
491.17996	26.5
492.11914	3.0
492.18451	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	491.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97678	0.7
59.01251	50.8
60.01584	2.5
61.01671	1.8
65.03830	1.3
67.01746	1.0
69.03338	1.5
69.22525	3.9
69.22954	2.8
71.01251	4.8
73.02821	1.5
75.00750	1.2
75.64383	0.6
77.87987	0.6
81.03327	1.1
83.01279	0.7
83.04897	0.8
85.02844	4.9
87.00739	3.8
89.02293	1.0
91.01740	0.7
91.05414	3.5
93.03337	5.9
94.03652	0.9
95.01282	1.4
97.02814	1.1
99.00750	1.1
101.02314	3.0
105.68333	0.6
107.01272	0.7
108.02055	70.8
109.02843	56.1
110.03198	1.7
111.00765	1.1
111.04369	0.9
113.02346	3.4
117.03326	1.1
121.02850	13.7
122.03626	1.0
123.00772	4.7
123.04383	1.7
124.01546	2.4
125.02317	1.3
127.94673	0.7
129.01857	1.3
132.02066	7.4
133.02882	8.9
134.03642	12.5
135.00790	4.0
135.04419	45.6
136.01559	8.5
136.04745	2.5
137.02347	44.6
138.03030	2.2
145.02811	1.1
147.04402	2.6
147.90947	0.8
149.02336	5.9
149.05963	7.9
150.03114	6.6
151.03917	27.7
152.01059	82.7
153.01852	42.7
154.02153	1.9
159.04430	0.7
160.01575	34.3
161.02367	21.8
161.04428	1.4
162.02823	1.2
163.03896	3.0
165.01781	1.0
165.05478	4.0
173.04445	2.8
175.03932	30.7
176.04294	1.9
177.05513	2.1
178.02664	0.9
179.03427	2.2
189.01949	1.1
189.05524	1.0
191.03825	1.0
191.05518	5.9
193.04980	5.9
201.05536	0.9
225.05605	1.4
228.04152	0.6
243.03070	1.1
243.06583	1.9
253.05063	3.2
254.05830	2.1
255.06505	1.2
256.03604	1.4
269.08258	1.2
271.06091	10.2
272.06824	9.6
285.07516	1.1
286.08493	11.6
287.09256	79.5
288.09613	8.7
299.01962	1.4
313.03827	1.0
314.04303	2.9
315.07220	18.7
316.07608	1.7
317.19910	0.9
323.07697	5.4
329.06650	5.4
337.09460	1.5
343.21365	0.8
431.13141	0.9
447.12781	2.1
449.14658	0.9
459.08786	0.9
483.10941	0.8
491.11862	100.0
491.24133	3.5
492.12213	18.6
492.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
61.98682	1.3
70.30653	0.3
71.53820	0.4
89.02275	0.4
101.02232	0.5
104.29607	0.4
105.79671	0.3
107.01305	0.6
111.00748	0.7
123.00752	0.5
124.01555	0.7
137.02376	0.4
139.11151	0.9
143.04889	0.6
147.04388	0.4
151.00252	1.7
155.04958	0.7
159.04419	0.5
163.00352	0.5
171.04399	2.1
177.01846	0.7
183.04454	2.3
185.02365	0.7
187.03928	0.8
189.01804	0.6
199.03925	4.1
201.01912	2.3
203.03435	1.5
211.03966	1.7
212.04546	0.5
214.02637	0.5
215.03445	2.8
224.04758	1.4
226.02563	0.8
227.03447	11.5
228.03893	0.5
229.01295	0.9
237.01997	0.6
239.16518	1.1
241.04919	0.7
242.05771	1.0
243.02969	27.0
244.03186	2.0
253.01437	0.5
255.02946	1.6
268.03741	0.7
269.04523	0.5
271.02472	41.7
272.02856	3.9
281.00876	0.6
285.04028	3.0
286.04639	0.5
296.03326	0.7
297.03796	0.5
299.01965	70.4
300.02353	6.1
313.03522	4.2
314.04315	100.0
315.04648	9.9
387.32385	0.5
403.35995	0.6
408.80289	0.4
429.33691	0.4
447.34741	3.5
491.10498	0.6
491.17267	3.6
491.33813	19.3
492.17365	0.6
492.27631	0.5
492.34198	1.6
499.10776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75252	0.3
58.08129	0.3
58.57727	0.3
59.01254	3.7
61.98701	0.4
64.82153	0.4
65.03828	0.8
71.01257	1.3
71.06723	0.4
71.53033	0.4
72.99204	0.5
75.49926	0.3
81.03342	0.5
85.02824	0.6
87.00766	1.4
91.05419	1.7
93.03341	0.8
95.01301	0.5
96.19298	0.4
97.02853	0.6
99.00759	0.5
101.02354	0.4
107.04919	0.6
108.02054	2.7
109.02841	10.1
109.99963	0.4
113.02355	0.7
119.04926	0.6
121.02851	6.3
122.03617	0.5
122.18002	0.4
123.00787	2.2
123.04415	6.7
124.01562	12.0
124.02451	0.8
124.04669	0.4
125.02353	8.8
133.02869	1.7
134.02707	0.5
134.03593	2.4
135.04424	25.8
136.01550	4.4
136.04781	1.1
137.02356	8.1
137.03334	0.7
138.03091	1.4
139.03918	1.4
139.65536	0.4
142.73067	0.3
145.02893	0.5
146.03612	0.4
147.04410	2.8
148.01471	0.4
149.02364	2.0
149.06000	10.0
150.03143	9.4
150.06352	0.6
151.03923	58.8
152.04228	3.2
161.02322	0.6
161.04283	0.4
163.03932	3.7
165.05476	4.5
172.05240	0.5
174.02908	0.4
175.03949	0.6
177.05547	1.4
189.05414	0.4
203.06877	0.4
210.06819	0.4
211.85788	0.3
215.07178	0.5
227.07111	0.5
228.07899	0.7
229.34697	0.4
237.05457	0.4
243.10251	0.7
253.04996	0.6
254.05872	2.1
255.06577	1.2
257.04553	0.7
257.08170	0.6
269.08197	2.7
270.05350	0.9
271.05988	1.9
272.06879	3.4
285.07672	1.4
286.05194	0.4
286.08191	2.4
287.09262	100.0
288.09604	10.8
311.05527	0.7
341.10049	0.5
355.10373	0.4
431.13303	0.8
431.26361	0.4
431.85062	0.4
447.15079	0.5
449.14832	0.9
449.27896	0.5
463.06924	0.7
478.38663	0.4
491.15594	19.4
491.27606	2.4
492.15900	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83937	0.6
59.01251	52.2
65.00176	0.8
65.03844	1.1
67.01745	0.8
69.03331	0.8
71.01255	3.8
73.02808	2.2
75.00744	0.7
75.36761	0.5
81.03323	0.7
81.09727	0.5
83.01278	0.9
85.02840	1.9
87.00749	14.4
88.01054	0.6
89.02320	2.6
91.05409	3.4
93.03330	2.5
95.01248	0.9
95.04939	0.7
97.02838	0.9
98.20621	0.8
101.02315	3.5
103.05392	0.6
105.03336	0.8
108.02062	4.1
109.02841	34.6
110.03183	0.8
113.02328	2.3
119.03404	0.6
119.04910	1.5
121.02846	10.5
122.03608	1.4
123.00793	0.7
123.04408	4.7
124.01552	8.8
125.02340	1.3
129.29538	0.5
130.99747	4.0
133.02843	1.6
134.03638	1.2
134.87033	0.5
135.04419	23.7
136.01564	1.6
136.04738	1.1
137.02345	4.1
139.03911	8.9
145.01378	0.7
145.02823	1.0
145.06477	1.6
146.03708	0.6
147.00735	0.8
147.04424	16.7
148.01527	0.5
148.04752	1.3
149.02383	2.6
149.04576	0.6
149.05956	1.2
150.03120	6.5
151.03918	23.6
152.01068	0.9
152.04236	1.5
153.01808	0.9
155.65175	0.5
161.02348	0.6
161.04443	1.0
161.05971	0.6
162.03131	3.1
163.03954	3.8
164.04668	2.0
165.05499	13.0
166.05864	0.7
173.04478	0.7
175.03903	1.0
177.05493	9.4
178.02658	0.6
178.05823	0.9
179.03346	3.6
179.07059	2.0
189.05510	1.6
190.02579	1.0
191.03401	2.3
191.05508	4.8
192.04062	0.6
193.05020	1.4
198.25967	0.5
199.03751	0.8
202.06297	0.8
205.04955	1.2
207.02922	23.3
208.03629	3.6
209.04436	0.8
209.06203	0.8
211.07599	1.8
212.08038	0.6
215.03429	1.6
217.01398	1.0
222.05293	22.6
223.05917	4.6
225.05565	0.7
226.06319	0.7
227.03412	2.7
227.07063	0.6
228.04201	1.5
228.07851	0.9
230.05692	0.9
237.03902	1.9
237.07655	17.2
238.08104	1.3
241.04929	2.5
242.05742	1.3
243.06650	1.5
243.10277	0.8
243.15952	0.7
252.07918	0.7
253.05049	1.0
254.03983	1.0
254.06287	0.7
255.06551	2.1
256.07291	0.9
257.04575	0.8
267.06897	0.7
269.04395	0.7
271.09863	0.6
272.06873	1.1
283.09708	0.8
287.09250	100.0
288.09598	10.4
327.08636	0.7
329.10156	0.9
330.10864	0.6
335.12787	0.9
341.10349	1.3
353.10025	0.9
353.14041	1.2
355.10544	2.9
371.14984	10.2
371.20682	3.1
372.15109	1.4
373.25903	6.1
389.21884	1.8
397.09515	1.6
399.07379	1.5
431.09384	1.5
431.14178	0.9
431.22781	1.3
449.14420	2.1
459.09235	4.5
460.09717	0.8
491.11301	16.2
491.28107	3.1
492.11395	2.7
492.28653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22866	0.2
59.01253	4.7
65.03831	0.5
67.01736	0.3
69.03336	0.2
71.01250	0.7
71.34328	0.4
73.02828	0.3
78.98810	0.2
81.05227	0.2
82.92112	0.2
85.02829	0.4
87.00758	0.8
89.02316	0.4
91.05411	4.2
93.03351	0.8
94.91596	0.2
95.01281	0.3
97.02808	0.4
99.00744	0.3
101.02343	0.5
104.58024	0.2
107.95180	0.2
108.02032	0.6
109.02842	12.3
110.03186	0.5
113.02330	0.3
119.04984	0.2
121.02851	11.0
122.03124	0.4
123.00758	1.1
124.01570	1.5
125.02289	0.3
133.02905	0.4
135.04419	44.4
136.01559	1.8
136.04768	2.2
137.02390	1.0
138.03128	0.8
139.03925	1.4
140.04291	0.3
145.02847	0.4
147.04420	1.9
149.02336	2.1
149.05978	0.9
150.03134	20.4
151.03593	1.3
152.01001	0.5
153.01833	0.5
162.03117	1.3
163.03929	3.1
165.05490	12.6
165.12744	0.2
166.05840	0.7
175.04034	0.3
177.05498	1.0
191.16182	0.2
193.05074	0.3
202.06310	0.9
213.05545	0.4
217.08517	0.4
228.07860	0.5
229.04872	0.4
239.03500	0.3
245.08154	0.2
253.05171	0.3
254.05852	0.7
255.06662	1.4
257.04581	2.6
258.04822	0.4
261.81155	0.2
270.05353	0.8
271.06061	1.3
272.06891	11.9
273.07281	1.0
285.07513	0.3
286.08383	0.4
287.09259	100.0
288.09579	10.7
302.88565	0.2
329.10321	0.6
329.96179	0.2
387.91760	0.2
431.13669	1.2
431.26392	0.3
447.10715	0.4
449.14514	0.5
491.15698	6.4
491.27896	1.5
492.15994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97678	0.7
59.01251	50.8
60.01584	2.5
61.01671	1.8
65.03830	1.3
67.01746	1.0
69.03338	1.5
69.22525	3.9
69.22954	2.8
71.01251	4.8
73.02821	1.5
75.00750	1.2
75.64383	0.6
77.87987	0.6
81.03327	1.1
83.01279	0.7
83.04897	0.8
85.02844	4.9
87.00739	3.8
89.02293	1.0
91.01740	0.7
91.05414	3.5
93.03337	5.9
94.03652	0.9
95.01282	1.4
97.02814	1.1
99.00750	1.1
101.02314	3.0
105.68333	0.6
107.01272	0.7
108.02055	70.8
109.02843	56.1
110.03198	1.7
111.00765	1.1
111.04369	0.9
113.02346	3.4
117.03326	1.1
121.02850	13.7
122.03626	1.0
123.00772	4.7
123.04383	1.7
124.01546	2.4
125.02317	1.3
127.94673	0.7
129.01857	1.3
132.02066	7.4
133.02882	8.9
134.03642	12.5
135.00790	4.0
135.04419	45.6
136.01559	8.5
136.04745	2.5
137.02347	44.6
138.03030	2.2
145.02811	1.1
147.04402	2.6
147.90947	0.8
149.02336	5.9
149.05963	7.9
150.03114	6.6
151.03917	27.7
152.01059	82.7
153.01852	42.7
154.02153	1.9
159.04430	0.7
160.01575	34.3
161.02367	21.8
161.04428	1.4
162.02823	1.2
163.03896	3.0
165.01781	1.0
165.05478	4.0
173.04445	2.8
175.03932	30.7
176.04294	1.9
177.05513	2.1
178.02664	0.9
179.03427	2.2
189.01949	1.1
189.05524	1.0
191.03825	1.0
191.05518	5.9
193.04980	5.9
201.05536	0.9
225.05605	1.4
228.04152	0.6
243.03070	1.1
243.06583	1.9
253.05063	3.2
254.05830	2.1
255.06505	1.2
256.03604	1.4
269.08258	1.2
271.06091	10.2
272.06824	9.6
285.07516	1.1
286.08493	11.6
287.09256	79.5
288.09613	8.7
299.01962	1.4
313.03827	1.0
314.04303	2.9
315.07220	18.7
316.07608	1.7
317.19910	0.9
323.07697	5.4
329.06650	5.4
337.09460	1.5
343.21365	0.8
431.13141	0.9
447.12781	2.1
449.14658	0.9
459.08786	0.9
483.10941	0.8
491.11862	100.0
491.24133	3.5
492.12213	18.6
492.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13399	0.3
57.03320	0.4
58.84416	0.3
59.00951	0.5
59.01251	7.4
59.03020	0.3
65.03838	0.6
69.56873	0.3
70.83470	0.3
71.01261	1.4
71.54302	0.5
73.02840	0.8
75.00757	0.5
80.50017	0.3
83.01277	0.6
85.02837	0.9
87.00745	1.6
89.02324	0.6
91.05409	3.9
93.03348	1.4
97.02819	0.5
101.02287	0.7
108.02053	0.7
109.02845	12.3
110.03185	0.5
113.02325	0.6
121.02849	12.2
122.03156	0.5
123.00781	1.2
123.04362	0.5
123.78883	0.3
124.01573	2.5
125.02345	0.8
129.47598	0.3
130.99763	0.4
133.02850	0.5
135.04417	41.4
136.01526	1.4
136.04752	2.0
137.02313	0.7
138.03139	0.6
139.03923	1.4
147.04446	2.2
149.02357	2.4
149.05959	1.2
150.03133	20.2
151.03938	4.3
151.74942	0.3
161.02339	0.4
162.03139	0.7
163.03900	3.3
164.04311	0.4
165.04112	0.7
165.05498	11.1
166.05811	0.5
175.04001	0.5
177.01891	0.6
177.05493	1.2
202.06302	0.7
207.03061	0.4
211.07368	0.4
214.00627	0.3
222.69460	0.4
228.07962	0.8
229.04839	0.3
237.07808	0.4
243.10223	0.6
254.05830	0.9
255.06744	1.6
257.04568	2.5
269.08167	2.1
270.05081	0.3
271.06073	1.7
272.06921	11.6
273.07251	1.5
287.09265	100.0
288.09607	10.3
385.56528	0.4
431.13498	1.4
449.14383	0.5
491.15887	8.3
491.28650	1.7
492.15756	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28203	0.8
59.01249	19.4
65.03841	0.8
67.01764	1.4
68.14821	0.7
68.99673	0.8
71.01249	3.3
73.02843	1.8
79.05402	1.5
85.02813	1.8
87.00750	50.5
88.01074	1.1
89.02323	1.9
91.05385	3.2
93.03346	5.5
95.01232	0.6
95.04904	1.5
101.02341	4.4
103.05421	1.1
105.03352	4.0
107.04943	1.1
108.02059	3.9
109.02840	14.0
113.02345	1.6
119.04920	2.8
121.01960	1.5
121.02842	27.0
122.03651	3.3
123.04407	9.6
124.01597	3.6
125.02233	0.7
130.99767	14.5
133.02859	3.7
134.03632	0.8
135.04427	8.4
136.01555	1.4
137.02341	2.9
138.08192	0.8
139.03899	3.9
145.01343	2.4
145.02870	2.2
146.03654	1.2
147.00812	3.6
147.04422	19.2
148.01552	1.2
148.05151	0.9
149.02354	8.8
149.05974	1.8
150.03098	2.5
151.03915	16.0
152.01102	0.7
161.02386	0.9
161.99495	0.8
162.03146	1.1
163.03912	9.2
164.04710	6.9
165.05502	11.6
174.03177	0.6
175.00253	1.3
175.03831	1.5
177.05467	3.7
179.03436	16.4
179.06970	4.9
180.03838	1.2
190.02644	1.8
191.03418	6.8
191.05505	3.9
192.04160	0.7
193.04976	2.8
195.02936	1.5
197.06055	1.2
205.05013	5.7
207.02928	100.0
208.03603	17.9
209.04433	5.0
213.05498	1.3
217.01427	4.8
218.01840	0.9
219.02890	2.0
221.04425	1.8
222.05292	78.7
223.05978	17.5
225.05562	1.8
237.04085	6.9
237.07632	55.1
238.08095	3.5
241.05038	3.0
253.05086	2.5
254.04214	6.4
256.07324	1.3
268.07156	0.8
269.04410	2.1
269.06879	3.3
271.09766	1.6
283.09821	4.2
284.06976	1.9
287.09253	38.2
288.09610	2.8
297.04034	0.9
299.09161	1.5
312.06256	1.7
327.08737	1.8
343.11801	1.0
355.10648	1.2
369.09656	0.8
373.09268	1.1
373.25793	2.9
387.10645	2.2
397.09387	5.4
399.07147	2.8
415.10114	1.5
417.08075	1.6
429.11755	2.0
431.09766	6.1
432.09796	0.9
441.08206	1.2
459.09332	17.5
460.09418	2.7
473.10870	0.8
491.11874	54.8
491.28223	2.0
492.12198	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	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77350	0.9
59.01257	10.4
67.00512	0.8
68.99679	0.9
69.20010	4.3
69.20442	4.5
71.01243	3.1
75.00732	1.0
85.02828	2.4
85.18202	0.8
87.00755	63.3
88.01086	1.2
91.05373	2.0
93.03324	8.0
95.04919	1.0
97.95048	1.0
98.20574	1.9
101.02325	4.1
102.00972	0.9
103.05442	1.6
105.03339	3.7
108.02053	3.5
109.02835	7.7
110.54616	0.8
119.01261	1.5
119.04903	4.2
119.85883	0.8
121.02849	43.0
122.03609	3.8
123.04427	8.7
124.01558	3.9
130.99762	24.3
133.02870	2.4
135.04433	2.4
137.02361	13.0
137.05843	1.1
138.03102	1.2
145.01305	2.0
145.02867	2.7
147.00743	3.3
147.04428	20.4
148.01457	1.1
148.04817	1.2
149.02353	7.0
149.05978	1.2
150.03082	1.3
151.03917	7.3
152.00986	1.2
163.03944	9.3
164.04700	5.9
165.05455	9.4
173.02408	1.3
175.03900	1.3
177.01764	1.2
179.03426	13.9
179.07045	4.6
190.02573	2.4
191.03403	7.2
191.05124	1.2
192.04259	1.4
193.04980	3.0
197.05887	1.1
205.04996	3.7
207.02939	93.0
208.03654	17.2
209.04417	2.7
217.01344	4.3
222.05293	94.4
223.05997	18.9
237.04190	6.4
237.07658	73.3
238.08017	5.7
241.05016	2.1
253.05003	1.4
254.04102	11.5
256.07529	1.0
259.09760	1.0
268.07373	1.2
269.04251	1.6
269.06732	2.1
281.04123	1.0
283.09775	2.6
284.06906	1.8
285.11288	1.0
286.08499	1.7
287.09256	18.0
288.09592	2.1
297.03989	1.0
299.09195	2.8
312.06290	2.2
323.05527	1.2
327.08737	2.1
343.11929	1.2
348.77539	1.0
373.09534	1.1
373.25854	1.3
381.09564	2.3
397.09247	3.3
399.07385	2.4
415.10098	2.0
417.07880	1.1
429.12051	1.4
431.09793	11.6
432.10413	1.2
447.22830	1.2
459.09369	13.7
460.09818	1.8
468.53531	1.1
473.10925	1.0
491.11996	100.0
491.27686	2.2
492.12207	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	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
69.03317	1.4
69.18151	0.3
69.22327	3.5
69.22720	0.7
70.21972	0.4
71.01232	0.6
79.01789	0.6
81.03352	0.6
85.02825	1.1
89.03864	0.6
95.01273	0.6
97.02831	1.3
98.19807	0.5
107.01266	1.4
108.02054	50.8
109.02859	17.1
110.03159	0.7
110.77132	0.3
117.03355	1.6
121.02882	0.5
123.00787	0.9
125.02334	1.8
132.02043	3.8
133.02829	2.9
134.03635	18.2
135.00809	0.4
135.04382	1.3
137.02350	0.4
149.05971	1.0
151.00290	1.1
152.01059	61.6
153.01854	21.1
154.02203	0.7
160.01573	19.2
161.02361	8.4
162.02666	0.3
163.03920	0.8
167.03416	0.5
175.03915	12.7
176.04285	0.7
177.01830	0.8
179.03413	1.3
193.04993	7.3
193.87402	0.4
203.03371	0.5
204.07764	0.4
217.04935	0.4
280.71191	0.5
297.06128	3.9
315.07333	2.0
323.07733	8.3
324.08218	0.5
337.09341	1.0
392.41425	0.4
447.12845	0.5
491.11945	100.0
492.12292	14.9
492.19540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67169	0.5
58.45644	0.5
59.01252	32.3
68.25883	0.7
69.03329	0.9
71.01261	1.2
73.02811	0.7
81.03316	0.6
81.38152	0.5
83.01237	0.6
85.02808	1.4
87.00745	1.5
95.01231	0.9
97.02832	0.8
101.02329	0.8
108.02056	33.9
109.02857	12.4
110.03130	0.9
117.03332	1.4
121.02799	0.8
123.00776	1.1
125.02312	0.7
132.02066	3.3
133.02852	2.5
134.03639	12.6
135.00780	0.8
135.04402	1.3
149.05969	2.0
151.00272	1.2
151.03911	0.8
152.01060	54.6
153.01854	19.7
160.01573	14.8
161.02374	8.8
163.03937	1.3
175.03934	14.3
176.04236	0.8
177.01828	0.8
179.03404	1.7
193.05025	6.5
226.02698	1.3
245.04524	1.2
253.01385	0.7
270.01718	7.9
271.02393	2.3
284.03180	0.7
285.04019	9.8
286.04404	0.9
287.09164	0.6
297.03629	1.2
297.06253	1.9
299.01932	2.2
299.05655	2.2
299.08911	0.7
311.05389	0.6
312.02768	0.8
312.06158	1.1
313.03522	28.1
314.04086	3.0
315.07272	4.5
323.07663	3.6
327.05176	5.0
327.08719	1.1
328.05823	5.1
329.06540	2.3
337.09399	0.5
401.36230	0.5
459.09161	1.0
461.07263	0.9
491.11948	100.0
492.12308	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	489.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
59.01254	2.9
71.01214	0.7
71.01523	0.5
71.04895	2.1
71.36723	0.4
76.35130	0.5
85.02808	0.7
87.04395	44.7
88.04725	0.9
102.68728	0.5
131.03397	1.4
139.11176	0.5
302.60248	0.4
357.31589	6.6
358.32077	1.0
383.29605	2.2
401.30618	35.5
402.31015	5.8
409.34869	0.9
419.31616	2.0
427.30249	0.9
427.35800	13.5
427.41586	0.7
428.36246	2.0
445.15509	0.5
445.37143	3.5
446.37088	0.6
462.23141	0.5
471.34872	1.4
489.35867	100.0
490.36209	20.2
490.41861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53938	0.4
57.03325	4.3
59.01247	2.4
62.35379	0.4
62.65968	0.5
71.04871	0.4
73.47221	0.5
83.04892	0.5
85.02831	1.1
85.06453	0.6
87.04391	15.9
95.04908	1.4
101.05967	8.0
214.15388	0.5
229.48584	0.5
248.30936	0.4
309.75021	0.4
313.25284	2.5
314.26013	0.5
325.25317	0.6
327.26962	0.6
329.28497	1.3
330.28598	0.6
341.28632	1.4
353.28629	1.3
355.26187	0.7
357.31680	2.2
359.32983	1.0
369.31573	2.9
370.32330	0.5
371.29520	5.1
372.29883	0.7
385.30948	3.3
386.31332	0.8
387.32706	3.3
388.33066	0.7
401.34271	4.8
402.34579	0.6
409.34747	0.6
427.35788	1.2
429.33691	1.5
438.73169	0.4
445.36884	12.6
446.37433	2.7
453.77103	0.5
463.80298	0.5
489.35873	100.0
490.36212	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46402	0.1
59.01252	100.0
60.01593	1.2
60.01849	0.2
69.31223	1.1
69.31638	0.4
71.01247	1.4
72.99204	0.2
73.02834	0.5
73.20679	0.2
74.02349	0.2
75.38004	0.1
85.02837	0.4
87.00767	0.5
89.02329	0.3
91.01755	0.3
93.03336	1.0
99.00723	0.4
101.02341	0.7
109.02887	0.2
112.85693	0.2
113.02354	0.5
119.03409	0.2
133.02866	0.2
134.03639	1.0
135.00812	0.4
137.02350	1.5
147.04547	0.2
149.02382	0.2
149.06004	0.7
152.03474	0.2
153.01839	0.4
161.04482	0.3
173.04486	0.2
175.03870	0.2
181.42914	0.2
187.03984	0.2
189.05405	0.2
193.05046	0.2
227.03569	0.7
255.02957	1.9
256.03598	0.4
267.06879	0.2
284.03281	2.5
285.04156	3.3
285.07785	1.6
286.04773	0.2
286.07971	0.3
353.10208	0.3
387.20358	0.7
387.37268	0.2
429.21503	0.5
489.10309	1.2
489.23279	1.7
490.10818	0.2
490.24075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
59.01249	18.9
69.48555	7.7
69.48967	2.5
71.01253	100.0
71.04865	1.3
72.01566	2.1
72.99181	32.3
87.00755	30.0
89.02321	10.5
93.39299	1.2
98.19753	2.7
101.02320	6.4
113.02327	3.1
115.00255	22.4
119.03401	4.3
129.01820	10.4
133.01341	2.1
142.64389	1.5
147.02892	66.1
147.06538	14.4
148.03140	1.8
179.05527	5.1
338.35474	1.5
341.10880	20.9
342.11310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
59.01250	18.0
63.03056	0.6
69.47365	2.2
69.47791	3.1
71.01251	13.4
72.99175	1.2
73.02808	1.6
83.01251	1.0
85.02812	3.1
86.44213	0.6
87.00751	5.8
88.00277	1.6
89.02305	7.9
89.03835	1.0
99.00761	1.2
101.02336	7.5
104.99158	0.7
109.02834	1.0
113.02323	2.9
117.01864	0.9
117.03355	3.7
119.03387	3.0
119.04883	1.0
121.02825	0.9
123.04417	2.3
132.01151	1.2
132.02071	12.2
133.02936	1.4
133.04926	1.4
134.03641	42.7
135.03998	2.3
137.02325	1.3
147.04404	2.1
149.02290	1.2
149.05981	7.6
151.03915	1.6
151.06044	5.2
153.01855	1.1
160.01578	69.3
160.52101	0.7
161.01964	4.1
161.04433	1.3
163.03874	1.2
165.05438	0.7
173.05986	1.3
175.03920	100.0
176.04466	9.5
177.01796	4.4
178.02577	2.1
191.05469	1.2
191.07056	8.7
192.04210	1.1
193.04996	70.9
194.05331	4.2
195.02853	1.4
198.86914	0.7
207.06567	4.2
217.05020	1.0
221.92581	0.8
235.06090	29.2
236.06380	3.0
265.07181	4.9
295.08072	6.1
313.11499	1.3
337.09186	2.9
355.10367	1.9
445.06708	2.4
486.93048	0.7
489.16135	74.2
490.16492	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	489.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74804	0.5
55.01751	0.5
55.22354	0.5
57.03329	1.3
59.01252	26.1
64.50475	0.6
70.90919	1.2
71.00852	0.7
71.01254	19.3
72.99184	2.0
73.02810	1.9
83.01254	5.7
85.02812	2.6
87.00755	40.9
88.01103	0.8
99.00749	0.9
101.02325	1.1
111.00764	8.5
112.98676	1.2
113.02335	2.6
115.00258	65.0
116.00597	1.5
122.05984	0.7
127.00251	1.5
137.02379	1.3
139.00270	14.3
146.06035	1.4
157.01332	28.0
158.01755	0.8
163.80678	0.5
174.01588	0.7
174.05542	1.0
174.36699	0.7
175.02399	100.0
176.02740	3.9
191.05629	1.0
207.05251	1.4
226.12363	4.7
227.12337	0.5
239.08350	0.6
240.08914	0.9
241.07463	1.6
254.10599	0.8
259.08475	0.5
267.07135	0.6
269.12949	13.1
270.13239	1.4
297.12418	0.8
299.14041	1.1
313.11981	11.8
314.12399	1.6
327.13385	1.1
341.11432	1.4
343.12888	3.0
355.17059	0.7
361.25015	0.6
371.12454	8.6
372.12711	1.0
373.14081	1.6
385.13977	0.8
389.13577	0.9
391.13205	0.7
399.15771	1.1
409.14056	7.5
410.14569	1.1
427.15024	8.6
428.15323	1.3
429.13013	3.4
441.13062	1.0
453.13052	0.9
471.14282	1.2
489.15012	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	487.1246
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.63835	0.2
55.01757	1.4
57.03303	0.5
59.01255	3.4
69.26925	2.7
71.01261	1.2
72.99213	0.5
73.02826	0.4
75.00742	0.7
78.38373	0.3
83.01225	0.4
83.04900	1.2
85.02837	0.7
87.00737	0.6
89.02308	0.6
98.20567	0.6
101.02320	1.0
108.02080	0.4
113.02374	0.4
117.03329	4.1
119.04922	13.9
120.05241	0.7
125.02344	0.4
129.01849	1.5
131.01271	0.5
132.02063	3.0
133.02884	0.5
134.03636	19.0
135.03940	0.4
137.02376	0.4
139.07561	0.8
145.01665	0.6
145.02852	12.8
146.03204	0.6
147.02896	0.7
147.04402	0.7
149.02315	0.5
149.05978	2.5
151.07591	0.3
156.10255	0.5
157.08620	1.4
158.11752	0.4
160.01553	3.2
161.02376	0.4
163.03923	14.6
164.04248	0.8
167.04929	0.9
175.00333	1.8
175.03925	4.1
178.02689	0.3
183.04443	0.6
184.05222	0.6
187.07616	0.6
192.04100	0.4
193.04997	14.1
194.05333	0.8
195.04390	2.4
196.05212	1.6
199.09711	0.7
203.03525	0.5
211.03929	1.1
212.04713	4.1
223.03967	3.8
223.05966	0.5
224.04733	13.9
224.13017	0.4
225.05031	1.3
227.03452	0.8
239.03493	5.0
239.07130	0.6
240.04219	3.6
251.03439	0.6
256.03796	2.2
267.02994	4.3
268.03760	38.9
269.04129	3.6
282.05215	0.9
283.06113	100.0
283.55161	0.3
284.06448	10.4
293.06659	7.6
294.07074	0.9
323.07690	4.0
324.08047	0.5
340.21240	2.0
381.77576	0.3
487.12622	1.5
487.25333	0.9
488.24921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
50.69351	0.9
57.03316	1.0
59.01255	20.1
59.71797	1.0
61.95648	0.9
65.03821	0.8
67.01748	0.9
69.24876	1.8
69.25287	8.1
71.01260	2.3
75.00730	1.7
77.46958	1.0
85.02813	2.1
87.00749	2.8
89.02296	1.3
91.31841	0.9
93.03325	1.3
109.02836	14.7
113.02281	0.9
118.18719	1.0
121.02864	2.2
133.02806	1.4
134.03596	1.3
137.02402	1.0
149.05974	1.7
153.01877	1.0
173.04424	1.6
175.03790	1.0
177.01820	2.7
189.05380	1.0
193.04858	1.3
202.17503	0.9
202.95734	0.9
219.06416	1.0
223.03854	2.9
225.05495	3.0
226.02638	2.1
241.05009	1.4
242.02283	2.5
251.03456	2.0
252.04254	31.1
253.04695	4.0
254.02101	1.9
254.05806	1.1
257.08160	1.2
267.06625	72.8
268.03827	1.4
268.06915	9.2
269.04504	1.1
270.01614	5.0
284.03265	1.6
285.04010	12.2
285.07559	5.8
297.03946	2.7
298.01135	3.5
299.05417	2.5
312.02652	1.5
313.03543	61.4
314.03946	6.8
327.05209	5.3
327.08499	2.1
328.05884	23.3
329.06131	2.6
342.07330	1.4
343.08218	100.0
344.08533	14.5
347.49585	1.2
426.03793	1.0
441.06177	2.3
456.07822	1.5
471.10690	2.0
474.09122	1.2
489.12152	10.1
489.26901	2.5
490.12170	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	488.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03903	0.9
58.95057	0.9
59.01250	30.4
65.19780	1.1
69.03305	1.6
71.01263	5.0
71.54620	1.6
73.02809	2.8
75.00748	1.4
85.02828	3.0
86.70567	1.0
87.00732	3.8
89.02306	1.8
93.03334	2.9
100.70454	1.0
101.02293	3.5
101.13663	1.0
109.02887	1.1
111.00732	1.4
113.02368	1.9
117.03339	1.1
119.04928	1.6
121.02843	9.0
123.04372	1.6
128.01085	1.1
132.02040	2.8
133.02837	2.5
134.03621	5.1
135.04427	1.9
137.02315	3.6
139.03879	1.1
145.02815	2.1
147.04408	4.5
149.02412	1.1
149.05968	4.1
151.03894	1.7
159.04401	2.9
160.01593	10.5
161.02298	2.7
163.03909	2.0
165.05426	5.3
173.04439	2.8
173.05908	1.6
175.03934	8.9
177.01810	1.2
179.07060	1.1
182.05966	1.5
184.03871	2.7
185.00903	1.7
187.07642	1.4
189.01872	1.2
191.03481	1.3
191.29016	1.0
193.05006	6.5
197.04733	19.9
198.05496	11.7
199.06117	1.6
200.07011	2.4
201.05730	1.1
210.05542	3.9
211.06252	8.4
212.07085	24.7
213.07802	5.1
214.08549	2.8
224.07097	4.8
225.07770	2.6
226.06517	1.8
226.08688	15.6
227.09354	2.9
238.08688	3.0
239.09366	2.0
240.10216	8.4
241.08650	3.8
242.08134	1.5
251.07048	1.3
252.06602	2.2
255.02882	1.8
263.07101	1.4
266.08340	2.7
266.11661	2.1
269.04446	2.5
270.05438	3.6
271.02359	1.2
279.03262	1.0
279.06644	2.6
280.07101	2.2
280.13467	1.4
281.14142	3.7
282.15015	3.2
283.09723	4.4
284.03415	1.2
285.04208	1.3
285.07629	2.9
294.15067	1.6
296.16537	24.5
297.16928	1.8
307.06085	2.2
308.12982	2.0
308.16348	2.4
310.17969	1.5
322.14456	7.6
323.09036	1.6
323.14938	1.6
324.19519	1.4
326.17596	100.0
327.18002	11.0
336.15900	2.5
337.09473	3.5
337.16623	1.4
338.17578	2.0
341.10416	1.7
347.14951	2.0
352.19199	6.4
353.10263	3.1
356.22247	2.7
361.16525	9.9
362.16751	1.7
364.19125	3.6
367.08322	1.3
380.18491	1.4
382.20218	34.3
383.20575	5.3
387.20233	2.0
400.21265	53.1
401.21729	7.3
408.18201	3.7
426.19113	7.2
444.20267	18.7
445.20679	2.6
470.18185	58.4
471.18597	9.4
473.05682	1.2
488.11743	3.2
488.19260	83.4
489.13089	2.1
489.19379	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28638	0.6
55.01760	0.9
57.03333	0.6
59.01255	8.0
66.35558	0.6
69.03316	1.0
71.01257	9.8
71.10696	0.7
71.11021	0.8
71.15759	0.6
72.99191	1.1
73.02828	4.0
75.00768	0.6
83.01279	1.2
85.02841	2.9
87.00739	1.7
89.02309	4.3
89.03867	0.7
93.03336	1.6
96.95876	0.9
99.00756	5.1
101.02332	9.5
105.03323	0.7
108.02081	1.7
109.02878	0.8
111.00777	0.7
113.02341	2.2
117.03367	5.7
119.04942	0.6
121.02835	1.4
122.02364	2.3
122.06020	0.6
123.04447	0.9
125.02315	2.2
131.03409	1.6
132.02066	3.0
133.02859	2.0
134.03635	85.3
135.04228	3.8
136.01529	1.0
137.02332	1.3
139.03932	1.1
140.88863	0.6
143.03450	0.6
147.04395	2.9
148.01639	0.6
148.05186	1.1
149.02350	1.9
149.04750	0.8
149.05981	17.7
150.06404	0.6
151.03899	1.7
153.09050	0.6
159.04390	0.6
160.01576	20.3
161.02396	2.7
161.04422	0.6
162.03065	0.5
163.00272	0.7
163.03931	1.1
164.04526	0.7
167.03351	0.6
173.02261	0.6
173.04413	1.0
175.03928	27.1
176.01031	1.3
176.04564	3.4
177.01830	5.4
178.02582	1.7
179.03397	2.4
179.07039	0.6
188.04707	0.7
191.03470	0.7
191.05573	0.9
191.07068	4.2
192.04150	1.0
193.04994	100.0
194.05318	5.7
201.87000	0.6
206.05783	4.9
207.06480	1.6
217.05025	1.7
219.02913	0.7
220.03781	1.1
221.06131	0.8
221.08150	10.6
222.08514	0.8
235.06097	17.2
236.06384	1.1
247.05916	0.6
265.07169	35.5
266.07602	3.1
325.05505	1.2
325.09268	20.7
326.09543	2.0
367.10370	17.7
368.10559	1.8
397.11404	5.8
398.11758	1.6
427.12518	0.7
443.12955	0.6
487.15158	1.1
487.25366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49055	2.0
59.01254	52.1
69.55698	6.5
69.56130	7.5
71.01254	46.3
78.95758	2.2
80.20390	2.1
81.32712	2.2
82.02852	4.7
83.01183	2.6
85.02826	5.9
86.00491	2.2
87.00742	5.4
89.02320	66.1
95.01246	4.3
99.00737	3.3
101.02325	32.5
102.02657	2.1
112.27454	2.0
113.02338	20.6
115.03880	2.1
119.03394	17.8
126.01842	6.1
127.05021	2.7
127.82880	2.0
129.01826	2.7
131.03384	4.1
142.05019	3.1
143.03404	3.8
144.02937	27.4
144.06573	46.9
145.01332	12.8
145.05016	3.8
145.06056	17.3
147.06825	2.1
149.04532	3.9
149.06015	5.2
161.04469	5.7
167.47028	2.0
175.06001	3.6
179.05554	23.1
188.91823	2.2
191.05522	3.5
193.04974	7.3
194.05325	2.9
208.10713	2.0
230.65076	2.4
250.09593	2.2
341.10895	100.0
342.11157	8.8
483.74542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.1
60.52842	1.5
71.01251	4.5
71.52615	2.5
72.42966	1.6
87.00743	20.8
89.02349	2.1
93.03366	3.0
95.22083	1.4
96.92740	1.5
99.00777	2.2
101.02331	2.5
106.47672	1.6
109.02846	2.3
112.37971	1.4
115.92014	1.7
117.03330	4.7
119.04921	5.6
133.02846	1.7
145.02863	21.5
147.04411	2.9
149.06071	1.9
149.34108	1.8
152.01031	1.8
160.01573	2.6
161.02380	1.8
163.03941	14.0
173.04486	1.9
175.03896	2.8
180.05731	7.1
181.06526	3.7
182.03664	2.2
183.08043	3.0
187.03958	2.5
191.05492	1.7
193.04958	3.6
193.06546	4.5
194.07324	7.4
195.04462	1.8
195.08090	18.4
196.05147	4.0
197.05908	4.2
208.05220	7.5
209.05969	2.9
211.07547	10.9
213.05507	2.0
219.08151	1.9
220.08794	1.9
221.06082	6.9
221.09625	3.1
222.06810	18.3
223.04147	2.8
223.07584	50.8
224.04701	6.9
224.07866	3.1
225.05576	8.1
228.04298	2.1
233.05980	2.2
234.03258	2.0
235.05972	2.3
237.05600	2.9
237.09200	4.4
239.07109	22.3
240.07509	2.9
241.05070	7.4
246.06808	1.9
247.07611	4.5
248.08311	2.7
249.05539	14.5
249.09241	8.3
251.03578	2.0
251.07011	2.4
252.04105	2.6
254.05904	1.8
261.57162	1.8
263.07217	3.0
265.04965	3.8
265.08743	5.7
267.06631	35.1
268.07199	2.6
273.05551	2.1
275.07104	2.7
277.04877	2.5
278.74161	1.8
283.06131	4.9
291.06635	6.7
293.04620	7.4
293.07657	7.5
298.04895	3.2
309.07748	7.9
311.05438	9.2
319.06094	4.4
335.05466	2.5
337.07196	18.1
338.07098	2.1
353.06589	7.6
363.05093	11.1
381.06030	13.5
383.04053	28.4
384.04495	2.5
399.07013	4.5
407.04050	16.2
425.04871	3.7
443.06177	100.0
444.06580	14.3
469.04077	13.7
487.04663	2.0
487.14346	9.6
500.43134	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.52842	0.7
70.04093	1.0
70.04472	1.0
78.95777	15.6
91.63921	0.6
96.96838	1.3
145.68822	0.6
152.99489	29.1
171.00569	1.3
227.03242	5.7
245.04233	1.1
255.23270	100.0
256.23608	9.1
431.96097	0.6
483.27258	50.7
484.27625	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	485.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13002	0.9
69.27956	9.5
85.28185	1.0
93.03325	1.2
98.19745	1.7
108.02020	2.3
109.02837	3.0
116.72588	0.9
117.42126	0.9
121.02785	1.2
121.06509	1.2
123.04440	1.8
130.04167	0.8
131.04979	2.0
135.04404	1.1
137.02437	1.0
147.04420	6.7
148.05193	5.8
149.05989	90.2
150.06314	4.2
162.96770	0.8
168.72891	0.9
175.03882	3.0
176.01051	0.9
179.17935	0.9
191.05464	1.3
193.04994	100.0
194.05341	6.1
219.02943	9.5
220.78964	1.0
398.24771	1.2
399.09250	3.0
423.09497	1.5
441.10406	13.8
442.10529	1.7
473.74454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35592	2.2
59.01260	4.3
75.90850	2.1
75.97860	2.6
87.00761	2.4
92.44224	2.3
107.76902	2.2
139.39906	2.3
147.04350	3.2
151.57568	2.4
165.12733	14.3
242.27678	2.4
243.63081	2.4
247.20642	12.0
273.18692	5.6
291.19675	100.0
292.20068	16.0
302.70572	2.7
344.89203	2.3
382.93713	2.1
485.33493	15.4
486.33228	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	49.2
70.42725	1.4
70.43105	1.6
71.01256	4.7
71.81351	0.9
72.99189	2.0
74.54591	0.9
75.00744	38.2
75.11765	0.9
87.00737	6.3
89.02324	4.4
91.05409	0.9
93.03294	1.2
99.00763	1.1
99.05582	1.1
101.39909	0.9
103.05400	1.8
105.03309	1.4
111.00746	6.3
117.01845	1.3
119.04903	3.1
121.02839	3.2
121.10078	1.1
122.03618	1.5
129.03299	1.2
130.99710	1.2
135.02893	39.9
137.02328	2.5
139.03926	1.5
145.02870	1.3
146.03581	2.0
147.04405	13.7
148.05177	3.3
149.06012	3.0
163.02325	1.4
171.10165	4.0
191.03439	4.5
192.04198	3.4
193.04973	2.9
195.13823	5.3
201.01688	1.0
211.13339	2.8
223.13364	6.2
256.13168	1.1
275.20132	9.3
293.21216	100.0
294.21466	11.2
299.61029	0.9
339.16187	1.9
437.22772	1.0
465.17780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41344	1.3
59.01252	20.1
63.01124	1.4
71.01260	5.4
72.99188	5.0
75.00751	62.5
87.00763	8.4
89.02330	7.9
91.05384	1.5
98.19768	3.0
99.00776	3.7
111.00771	1.6
117.01840	2.6
119.04924	1.7
121.02860	2.4
121.10128	18.4
122.03650	1.5
130.99776	3.6
135.02887	71.1
137.02362	4.3
139.03932	2.5
146.03665	3.5
147.04439	14.1
148.05177	3.7
149.05998	3.9
163.02429	2.1
171.10182	48.5
172.10545	1.9
191.03467	4.9
192.04195	2.9
193.04968	3.2
211.13409	2.7
214.24190	1.5
227.00238	1.5
231.21156	3.2
275.20169	90.1
276.20486	9.2
293.21234	100.0
294.21539	10.4
333.49536	1.7
505.74728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84254	0.3
70.39881	0.9
78.95778	6.7
79.12936	0.3
86.02812	0.3
96.96873	0.4
145.90669	0.3
152.99501	14.3
153.99783	0.4
171.00597	1.2
177.05840	0.3
197.97276	0.3
220.98833	0.3
227.03253	3.9
245.04269	1.8
251.31454	0.4
255.23279	100.0
256.23627	9.7
483.27283	29.0
484.27689	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08517	0.2
78.95779	5.2
87.76220	0.2
96.96811	0.3
98.09293	0.2
98.93427	0.2
123.52967	0.2
140.85352	0.2
152.99493	13.6
171.00569	0.9
227.03227	3.1
245.04239	1.6
255.23276	100.0
256.23624	11.0
256.26358	0.3
465.55060	0.3
483.27280	27.4
484.27686	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	483.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.76112	0.7
59.01251	100.0
60.01598	1.3
71.01263	3.2
71.33601	1.0
73.02831	0.9
83.01281	0.7
83.09731	0.6
85.02872	1.0
87.00756	12.4
87.33263	0.6
89.02316	0.9
93.03320	0.7
95.04904	0.7
97.06487	2.7
101.02345	1.9
112.99579	0.6
121.02843	1.3
122.03600	0.7
130.99789	1.9
131.46228	0.6
137.02319	1.0
145.06465	0.7
146.03653	1.0
147.04433	3.4
148.05217	0.9
149.06062	0.7
159.04434	1.3
163.03963	1.7
173.05977	8.9
174.06760	1.9
175.07607	2.4
185.06013	0.9
187.07578	1.3
188.04744	0.9
189.05490	0.9
189.09227	2.2
190.06433	0.8
191.03444	1.5
192.04190	0.8
192.07814	0.6
199.04022	0.9
199.07486	1.3
200.08322	1.3
201.05632	0.8
201.09325	1.0
203.07092	2.0
211.13445	0.7
213.05675	1.1
214.06288	1.1
215.07195	2.3
216.07695	0.7
217.08601	4.6
218.09425	6.4
219.10262	1.5
225.09235	0.8
227.07150	2.4
228.07843	4.7
229.08733	1.5
243.06612	0.8
243.10374	1.4
244.10942	1.1
254.17245	0.7
260.10516	0.6
265.66446	0.7
387.14688	1.9
393.63232	0.8
432.60880	0.7
447.16818	2.2
465.17633	33.7
466.17795	4.3
483.18756	10.5
483.30081	2.2
484.19327	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.1
61.98698	1.2
66.03339	0.9
71.01250	2.7
71.01872	2.1
72.99171	1.0
73.02819	1.4
80.70565	1.0
87.00751	100.0
88.01073	1.2
93.03315	2.5
97.06467	2.9
107.44185	0.9
110.02364	0.9
121.02805	2.1
122.03638	1.6
123.04377	2.5
130.99747	24.2
137.02327	1.7
145.02818	2.9
145.06525	2.2
146.03600	2.7
147.04434	2.8
148.05231	1.7
149.05959	2.7
158.03638	5.6
159.04388	5.5
159.07996	1.5
159.37846	0.9
160.01569	1.0
161.02313	1.3
161.05936	2.7
162.02998	1.0
162.06801	1.7
163.03908	3.9
163.07536	1.6
171.04460	1.5
171.08109	1.0
172.05199	2.6
173.04482	3.4
173.05983	6.8
174.03130	2.6
174.06772	2.5
175.03922	2.9
175.07581	7.1
177.05495	3.0
177.09169	2.6
185.06020	2.0
186.03171	5.1
186.06706	2.6
187.03911	7.1
187.07574	13.3
188.04594	2.8
188.08119	1.7
189.05589	4.5
190.02637	4.0
190.06316	1.8
191.07115	2.7
198.06721	1.0
199.03897	2.0
199.07582	3.0
200.04684	1.3
201.05530	2.5
201.09113	3.8
202.06198	2.2
203.07063	7.7
204.04289	1.4
204.07669	1.5
205.04950	1.7
205.08636	3.8
206.09254	1.2
207.80159	1.0
211.07353	0.9
211.13306	1.8
212.04694	1.4
213.05519	3.1
213.09084	2.9
214.06337	2.1
215.07082	16.6
216.07811	10.8
217.08559	4.8
218.09264	0.8
219.06625	3.3
227.07095	0.9
229.08661	1.8
230.05858	1.0
231.06517	2.4
231.10110	1.3
232.03555	1.8
233.08186	3.8
234.08937	9.4
235.09610	1.2
241.08664	7.5
242.09430	4.7
243.06607	2.9
243.10156	1.7
244.07323	2.6
245.08047	1.2
252.10068	1.1
255.10257	4.1
259.09671	1.4
282.36447	1.0
285.11093	1.0
285.14926	1.4
301.14389	2.1
313.14487	6.9
314.14996	1.4
331.15576	2.0
339.15952	2.6
341.13882	2.3
357.17108	1.5
359.15012	3.7
366.09546	7.6
384.10498	4.1
401.15909	1.2
445.15042	1.4
463.16089	61.2
464.16299	10.0
481.17123	43.6
482.17627	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12476	0.7
53.24452	0.7
56.07800	0.8
58.16621	0.6
64.79704	0.7
69.26340	1.3
69.26749	6.0
70.45562	1.0
78.95779	45.9
81.41548	0.7
81.57446	0.7
96.96825	3.8
97.48504	0.9
123.78384	0.8
152.99492	68.0
153.99834	0.9
171.00558	21.3
220.79642	0.9
223.74994	0.7
227.03160	3.8
245.04298	100.0
246.04564	4.3
253.21710	57.2
254.22029	6.2
329.73404	0.9
398.79825	0.9
453.03293	0.9
481.25742	34.2
482.26312	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22145	1.2
56.93053	1.0
68.63529	1.2
70.55141	1.9
70.55510	1.7
78.95774	52.3
82.22803	0.9
88.22089	1.2
96.96842	4.1
150.97905	1.4
152.99495	87.9
153.99796	2.1
171.00569	15.7
187.05911	1.0
198.38594	0.9
227.03221	12.3
233.32988	0.9
245.04289	76.7
246.04686	2.3
253.21701	59.5
254.22087	5.6
259.42975	1.0
430.46844	1.0
481.25726	100.0
482.25995	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	483.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60980	0.9
59.01248	5.0
67.01767	2.5
69.03305	1.2
69.18308	4.4
69.18730	4.9
71.01258	4.0
73.02830	1.3
85.02802	1.7
87.00750	34.3
88.01093	1.7
89.01194	1.9
89.82159	0.8
90.55428	0.9
91.37475	0.9
93.03333	20.8
94.03666	1.3
95.04958	1.0
108.02028	1.5
109.02855	1.1
111.00728	0.9
111.04415	5.1
119.04921	13.8
121.02829	8.7
122.03641	11.7
123.04420	3.2
124.01604	1.2
130.99773	7.3
135.04446	1.7
137.02361	7.5
139.03929	1.2
145.02850	3.5
147.04416	9.5
148.05148	2.8
149.02332	3.3
152.01085	1.2
155.03380	3.1
163.03920	29.6
163.07535	1.7
164.04576	2.9
165.05508	1.2
173.04478	100.0
173.05885	5.8
174.04805	3.2
174.06839	1.6
175.07498	1.4
183.13826	3.0
189.09152	1.0
190.09775	1.1
191.03537	2.1
191.05513	4.5
191.06956	4.7
192.04247	3.0
192.07826	3.4
193.12239	1.1
194.02196	2.6
211.13322	30.7
212.13670	2.6
214.06354	1.4
217.08650	1.8
218.02135	2.9
218.09448	3.0
228.07896	2.2
243.10207	1.5
254.04367	5.8
270.71539	1.0
287.16522	1.3
315.15875	1.7
319.08289	1.9
337.09280	38.6
338.09625	4.1
375.18213	1.1
386.11130	1.3
393.24838	0.9
405.15509	3.3
429.15567	2.3
447.16895	2.1
465.17615	93.9
466.17953	13.7
483.18637	16.2
484.18994	2.1
498.76810	0.9
508.12903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1353
Annotation	TERNSTROSIDE F
Peak:m/z	Relative Intensity
55.01703	2.3
56.02006	2.1
57.03334	2.5
59.01251	12.4
60.02654	2.2
69.03316	2.8
69.52478	14.3
71.01245	9.4
73.02792	3.7
75.00732	9.7
81.03306	2.8
83.04883	2.5
85.02809	7.6
86.27660	2.2
87.00731	8.0
89.02292	3.1
91.73259	2.4
93.03316	8.4
95.01254	6.5
97.02856	2.6
99.00735	2.4
101.02302	3.6
107.04903	4.1
108.02039	8.2
109.02850	18.1
111.00748	2.6
111.04433	3.2
113.02320	5.8
119.04868	3.0
121.02840	15.2
122.03650	3.2
123.00754	15.8
123.04401	18.5
123.94076	2.1
124.01572	27.9
125.02343	24.3
134.03560	8.3
135.04433	15.2
136.01500	4.7
137.02354	21.8
138.03178	11.0
139.03914	29.8
141.01846	2.6
145.02769	2.2
147.04384	2.7
148.01530	3.6
149.02359	19.6
149.05972	4.2
150.03088	8.2
151.00354	2.2
151.03911	26.6
152.01085	21.9
152.04636	3.9
153.01871	14.4
153.05498	2.2
159.04346	2.7
161.02345	6.5
162.03113	7.0
163.03917	21.2
164.00996	7.2
165.01825	10.7
165.05458	8.8
166.02556	4.7
167.03416	58.2
173.04527	4.3
177.01802	14.0
178.02632	13.8
179.03445	22.3
180.00516	8.2
180.04036	3.2
181.01350	4.9
181.04912	6.4
182.02087	10.0
189.05455	2.8
190.02591	4.4
191.03554	14.1
191.05495	11.3
193.01294	2.7
193.04991	12.7
194.02103	9.8
195.02888	16.4
195.06621	2.8
197.04449	9.7
203.03557	2.8
205.05103	3.3
206.02167	37.2
207.02913	24.4
209.04398	12.5
209.11696	6.9
211.06062	34.1
221.04501	28.5
223.06099	5.0
225.03983	5.5
233.04396	3.3
236.03201	19.3
237.03896	6.0
239.05553	4.7
249.06131	4.1
251.05542	9.7
267.07291	2.8
271.06110	2.3
271.09677	3.6
299.08896	2.4
315.08862	3.6
318.07263	4.1
319.08145	5.9
319.11880	10.7
331.08231	4.9
333.09607	6.4
343.08145	17.7
359.07761	3.0
361.09271	97.7
362.09616	11.6
373.09192	5.1
391.10382	25.7
392.10544	3.9
403.10345	3.0
463.12433	8.6
481.13425	100.0
481.30505	6.1
482.13538	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	479.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68664	0.5
59.01258	0.9
64.72502	0.5
69.44821	4.1
85.85744	0.5
87.00750	100.0
88.01101	1.7
91.05390	0.6
119.04947	1.0
121.02840	1.5
122.03628	1.7
123.63877	0.6
130.99762	52.6
132.00494	0.6
135.04382	1.2
137.02327	1.1
139.79330	0.5
147.04437	4.3
148.05156	1.0
191.03358	0.8
192.04234	0.7
239.90215	0.5
254.04308	35.9
255.04701	3.2
286.06143	0.6
287.16476	1.1
479.19250	7.6
480.19757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3379
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
54.71881	0.6
57.03315	0.8
69.56444	1.1
69.56850	3.0
71.01249	1.7
78.95786	1.1
96.55747	0.5
121.06457	0.6
126.10020	0.6
137.02390	1.0
147.31088	0.5
152.08804	0.5
192.49640	0.5
341.28543	7.7
343.30045	55.3
344.30347	8.4
345.31595	21.6
346.32004	2.9
357.27927	2.1
362.18271	0.6
363.32660	1.0
373.34714	12.2
374.35046	2.4
375.29111	1.0
377.30609	5.3
378.31046	0.6
389.30609	4.8
391.35782	1.2
417.33740	40.3
418.34137	7.8
426.95013	0.6
435.35214	1.2
479.33765	100.0
480.34146	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	479.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46400	0.4
59.01244	0.6
65.42833	0.3
81.98183	0.4
87.00756	100.0
88.01099	1.8
91.15388	0.4
119.71887	0.4
121.02836	0.8
122.03555	1.0
128.66470	0.3
128.76154	0.3
130.99768	53.1
132.00168	0.8
135.04468	1.2
137.02350	0.9
147.04430	1.9
148.05180	0.7
163.03905	0.4
191.03418	0.6
192.04176	0.4
230.06044	0.4
254.04318	31.8
255.04604	2.4
284.37344	0.5
293.34000	0.4
329.17615	0.9
347.18344	0.5
479.19336	5.3
480.19525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36317	2.1
51.23698	2.1
57.03331	28.7
58.55600	2.1
59.01238	8.3
65.66042	2.2
69.03340	4.3
71.01244	5.4
71.54458	3.1
73.02822	22.9
78.95770	2.3
85.02846	2.6
87.00755	100.0
97.06464	10.6
101.02328	52.7
101.26977	2.2
109.02861	5.6
113.02333	3.2
122.03646	4.0
123.04405	4.9
130.99733	10.7
135.04446	3.2
136.05234	3.9
137.02368	20.6
143.04890	3.8
145.02835	5.2
146.03656	4.5
147.04439	8.1
148.05173	5.7
149.05980	24.7
151.03902	3.5
156.05664	4.9
159.04433	11.2
159.08014	3.5
160.05124	3.7
161.05945	4.2
162.06757	5.9
171.04422	8.7
171.08101	7.9
172.05203	18.8
173.02348	4.3
173.05992	21.4
173.09587	3.4
174.03123	9.2
174.06769	7.2
175.03877	4.5
175.07562	16.8
184.05194	4.4
185.05997	16.2
186.06798	21.6
187.03931	6.9
187.07588	29.8
188.04688	4.6
188.08168	4.6
189.05453	9.3
189.09088	8.4
190.02493	3.3
190.06125	2.9
191.03441	7.9
193.04959	3.0
195.04466	4.0
196.05244	19.1
197.05898	8.9
199.03958	6.5
199.07578	40.3
200.04675	6.9
200.08389	17.0
201.05423	9.0
201.07346	5.0
201.09140	54.8
202.06323	23.2
203.07101	12.1
204.07919	4.2
210.06799	8.5
211.07466	2.9
213.05524	6.7
214.06320	36.4
215.07088	51.9
215.10596	14.3
216.04369	3.0
216.07664	5.2
216.11525	4.5
217.04906	4.0
217.08574	7.4
218.05823	2.5
218.09338	12.7
219.10008	2.9
223.07559	7.5
224.08369	5.8
225.09184	54.6
226.09946	16.7
227.07059	3.0
227.10608	6.6
228.07860	12.5
229.08592	23.1
231.06511	7.3
239.07050	3.6
241.08405	2.6
243.06569	5.5
243.10268	95.9
244.10886	26.7
245.08197	15.0
245.11656	9.1
257.15402	2.6
259.17157	5.4
285.14996	28.4
287.09290	14.4
288.09863	11.8
289.10663	9.3
297.14966	4.3
301.14450	11.3
303.15942	7.7
308.92908	2.7
311.12836	3.8
311.16360	6.0
313.14288	2.5
315.16046	4.2
319.15460	25.5
323.16434	6.2
327.15936	9.6
329.13873	4.7
331.24902	4.9
341.13779	5.9
341.17682	7.0
345.16977	8.5
347.15024	33.8
348.15305	5.0
355.15274	3.6
361.16446	4.8
373.16550	6.1
375.14825	2.7
385.16556	32.7
386.16962	6.2
389.16092	6.3
403.17587	21.8
417.15305	4.0
419.13342	9.7
443.13348	13.4
447.16632	29.1
448.16943	4.4
461.13428	15.2
479.15479	86.0
479.19742	43.2
480.15558	12.4
480.19687	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	479.1196
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
51.05416	2.2
55.67415	2.2
58.07201	2.1
59.01258	11.8
71.01251	5.1
71.40232	3.3
72.99167	4.3
73.15356	2.1
75.00737	2.4
81.03326	7.7
83.01252	4.0
83.37139	2.5
85.02811	3.3
87.00768	6.4
89.02321	3.9
93.03320	4.6
95.01237	3.2
95.04894	3.3
97.02824	5.7
99.04414	4.3
101.02328	2.6
107.01237	2.9
109.02827	3.7
113.02367	3.4
121.02852	2.7
123.04382	7.6
124.01516	3.5
125.02350	22.4
135.04375	3.8
137.02362	11.7
149.02385	4.4
149.05988	3.8
150.03178	2.6
151.00267	4.8
151.03925	2.9
152.01068	6.3
153.01863	6.2
153.05443	2.8
162.05507	6.6
163.03972	3.0
165.01878	13.4
165.04057	2.5
166.02628	18.4
167.03435	28.5
180.76355	2.3
191.05464	3.8
193.01289	3.4
194.02176	5.3
197.04510	5.2
204.06613	5.0
205.01349	2.4
216.04134	2.8
218.02094	2.8
220.06020	12.5
221.00987	2.6
221.77475	2.5
229.08691	2.4
231.06554	3.1
261.00262	2.5
269.13037	5.0
270.05331	3.3
271.10941	4.1
289.07263	7.0
305.10236	4.5
310.09274	2.7
313.07074	5.2
315.09518	4.4
317.06558	4.8
327.13461	4.9
329.97092	2.7
331.08179	26.6
332.08615	2.9
341.06686	3.3
359.07736	100.0
360.08090	9.5
361.09326	8.3
371.08206	2.7
371.12543	12.4
389.08719	34.2
389.13480	14.5
390.09164	3.6
433.11829	3.0
461.10651	5.6
479.11444	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1198
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
52.31436	0.5
52.92212	0.5
56.79818	0.6
57.03329	12.9
59.01252	5.7
61.98705	2.4
63.02282	0.6
65.00203	2.6
68.26885	0.5
68.99715	0.7
69.03336	1.2
70.54370	1.2
70.54726	1.1
71.01257	4.7
72.99180	4.0
73.02834	1.5
75.00761	1.6
81.03320	1.7
83.01257	8.3
85.02816	3.1
85.06490	0.8
87.00753	3.7
89.02321	2.0
93.03360	1.5
95.01283	2.8
97.02836	1.9
99.00771	1.3
101.02335	2.1
107.01273	3.6
109.02827	3.1
111.00764	1.7
113.02338	1.8
121.02842	1.8
123.00784	2.1
123.04397	1.8
124.01595	3.7
125.02344	100.0
126.02680	3.7
129.01788	0.7
134.03606	1.3
135.04427	0.8
136.01587	0.7
137.02364	2.7
137.06003	1.1
139.03943	3.1
145.02910	0.8
147.04375	1.2
148.01570	1.2
149.02345	9.0
149.06042	2.0
149.99336	0.6
150.03062	1.2
151.00276	25.1
151.03902	1.0
152.01079	11.7
153.01849	8.9
158.03595	0.9
161.04442	1.6
162.05573	0.6
163.00264	1.2
163.03902	1.1
165.01884	1.3
165.05505	1.7
167.03415	1.8
169.01442	1.0
170.77852	0.6
173.04500	1.5
175.03976	0.7
176.01025	0.8
177.01794	1.2
178.99794	17.3
179.03362	1.4
180.00197	0.9
181.01466	0.7
182.01688	0.6
187.03943	1.2
188.04703	1.5
191.03395	1.0
191.05449	1.5
192.04280	1.7
193.01399	0.8
193.04993	1.1
195.06679	0.8
199.04013	0.7
200.04767	1.1
201.05370	0.9
201.11266	0.8
207.06572	1.4
209.04503	4.2
211.03986	0.7
212.04694	1.2
213.05357	0.6
215.03401	0.9
216.04269	1.1
220.06096	1.0
225.11357	0.9
227.03418	3.1
228.04230	0.9
230.05838	2.7
231.06543	2.0
233.04422	0.7
237.03946	1.2
240.04333	1.0
245.08176	1.6
255.06677	1.5
256.03802	4.0
257.04630	0.8
258.05240	1.9
271.06070	0.9
273.07758	4.2
274.04910	5.1
284.03265	27.4
285.03632	2.6
289.07196	60.6
290.07529	5.2
299.05624	49.4
299.09354	1.0
300.05911	4.4
313.07224	1.1
315.16153	0.9
317.06671	32.1
318.07080	3.1
341.06253	1.8
342.05899	2.7
355.15646	0.8
359.07733	1.3
371.12515	0.7
373.67282	0.6
389.13126	1.0
399.14322	0.8
437.16556	2.1
451.12695	1.3
479.11948	93.0
480.12189	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19699	1.4
55.01789	1.2
56.72592	1.2
57.03329	1.5
59.01239	4.2
62.90397	1.3
65.00169	2.0
69.03307	1.9
71.43385	1.3
81.03324	9.0
83.01257	5.6
85.02822	2.0
87.00774	1.3
89.02303	2.3
93.03352	3.0
95.01250	2.9
95.04890	5.3
97.02823	9.8
99.04429	6.0
101.02341	1.3
105.03369	1.5
107.01246	2.4
109.02827	2.8
111.04372	1.8
113.02367	1.9
121.02846	3.7
122.03635	3.4
123.00779	2.7
123.04433	10.4
124.01579	3.5
125.02342	34.6
133.02795	1.9
137.02336	14.9
138.03149	7.3
139.03934	4.4
149.02316	8.1
150.03159	2.2
151.00294	7.5
151.03941	3.4
152.01093	6.5
153.01859	9.2
153.05502	1.2
155.03418	1.7
163.00291	4.2
163.03915	4.2
164.01062	3.1
165.01840	21.6
166.02631	34.2
167.03416	51.5
168.03862	1.4
176.01103	2.5
177.01851	3.4
178.99756	3.1
179.03406	2.4
187.03961	1.3
188.04761	1.5
190.02606	1.7
190.99762	1.4
191.03438	1.2
192.00653	2.0
192.04280	3.1
193.01353	6.1
194.02126	15.6
197.04518	9.1
205.01372	4.3
207.02898	1.8
207.06480	2.6
218.02258	1.7
221.00821	5.8
223.02328	1.8
224.03148	4.3
225.98174	1.2
227.07208	1.4
230.05832	2.4
231.06616	5.3
233.04518	2.9
243.06628	1.5
245.08168	2.4
247.06006	1.5
247.76405	1.4
257.04605	1.9
258.05536	1.4
268.72757	1.4
270.05319	2.6
271.06125	1.5
272.06815	3.0
273.07648	4.7
289.07184	9.2
301.07181	2.5
303.09344	1.6
313.07343	2.7
315.08731	4.3
316.05957	2.0
317.06604	4.0
329.06625	1.6
331.08197	39.1
332.08575	4.3
341.06573	5.1
343.08292	2.8
359.07687	100.0
360.08084	12.2
361.09174	11.8
371.07599	1.9
389.08783	40.0
390.09171	5.8
401.08798	1.5
461.10950	4.7
479.11987	43.9
480.12088	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	477.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.0
59.01254	7.3
59.35057	1.4
61.87197	1.4
69.03340	2.6
69.79562	1.1
71.01257	2.9
71.04884	1.8
71.53403	1.3
71.53791	1.5
74.01981	1.2
78.95776	21.7
80.02541	1.7
81.03323	3.1
83.01247	10.7
83.04913	6.7
91.05382	1.8
95.04900	3.8
97.06458	4.5
98.03623	2.3
99.00783	1.6
105.03344	1.7
109.06441	1.8
110.98413	18.2
111.08031	2.3
119.04878	2.1
121.02779	1.5
123.04438	2.5
123.08028	4.5
123.62140	1.6
125.05980	2.5
125.09612	10.3
137.09625	2.7
139.11208	6.5
141.09045	1.6
146.03632	1.7
147.04436	11.2
149.06035	1.2
151.11183	5.7
152.99496	1.7
162.10431	1.7
163.11186	10.4
165.12772	21.7
166.13002	2.3
167.01073	7.3
167.10672	5.9
167.14406	1.7
170.32614	1.2
179.10701	2.3
179.14224	1.6
181.12256	11.8
183.13879	1.8
185.02118	20.5
191.03532	1.5
191.10686	5.9
193.04965	1.6
193.12296	2.5
193.15929	4.5
209.11766	99.1
210.12053	5.6
211.13368	2.7
225.11282	2.1
247.14394	1.4
247.20619	17.3
248.20853	2.1
263.20251	1.9
265.21768	2.5
273.18625	3.5
290.16446	1.7
291.19656	100.0
292.20065	12.3
309.20721	83.5
310.21149	8.8
467.63113	1.5
477.22601	47.7
478.23163	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	477.3585
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
59.01247	11.2
70.55241	3.0
76.24753	1.2
86.55387	1.1
97.61845	1.2
108.74516	1.1
114.42136	1.0
149.96893	1.2
210.68098	1.2
231.89249	1.6
280.51694	1.2
354.76746	1.2
373.34683	5.1
389.34692	1.7
390.34753	1.2
397.34769	2.1
415.35806	36.4
416.36176	6.6
417.33719	38.1
418.34195	7.5
459.34863	2.7
477.35840	100.0
478.36176	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63365	0.6
59.01237	3.0
65.00190	2.2
65.65331	0.6
69.03320	0.6
69.70708	1.4
69.71095	1.7
71.01243	2.4
81.72639	0.5
83.01247	1.5
85.02813	1.4
87.00761	3.2
89.02316	2.0
92.09009	0.7
93.03357	1.0
95.01260	2.6
101.02312	0.9
103.68544	0.6
107.01260	3.0
109.02828	3.8
109.99976	5.4
111.00787	3.8
121.02871	1.3
123.00764	3.2
124.01543	2.9
124.98672	0.7
125.02335	2.1
133.02840	0.9
135.00766	1.9
136.98665	2.1
137.02324	2.5
137.99469	1.8
139.00266	6.9
145.02800	0.7
146.03644	1.8
147.04433	0.9
148.01527	1.1
149.02377	1.5
149.05991	1.0
151.00258	8.7
152.01060	3.9
153.01823	1.0
159.04433	1.3
160.01518	0.8
161.02301	0.9
163.00272	3.3
163.03864	1.6
164.01001	2.9
165.01759	0.7
165.98984	5.2
166.00287	0.9
166.99799	3.7
171.04410	2.3
173.02295	1.3
174.03140	1.5
175.03966	2.0
178.99823	6.4
180.00305	0.7
183.04422	1.5
186.03079	1.5
187.03935	2.7
189.01843	1.6
190.02641	0.9
191.03406	1.2
191.05534	0.7
193.04892	0.8
198.03098	0.7
199.03871	3.6
200.04362	0.8
201.01845	1.6
202.02695	0.9
203.03473	3.2
205.01335	1.3
211.03804	1.0
213.01884	1.3
214.02715	3.2
215.03493	3.1
216.04033	1.3
226.02719	0.7
227.03444	5.7
229.01376	1.1
230.02049	1.3
231.02951	3.6
232.03604	0.8
242.02141	4.7
243.02986	7.8
244.03421	1.6
245.00702	0.8
245.04715	1.5
255.02969	4.2
256.44821	0.7
258.01416	0.8
259.02545	4.0
261.03891	0.8
270.01700	6.2
271.02463	33.9
272.03006	8.2
273.03979	3.2
287.02005	11.0
288.02560	6.5
289.03244	2.2
298.01245	1.6
299.01965	32.8
300.02393	4.2
301.03546	0.7
316.02222	61.4
317.02939	39.3
318.03256	2.6
324.18228	0.7
331.07806	0.7
343.06647	2.7
359.07800	1.8
374.96442	0.8
461.07233	1.9
479.08255	100.0
480.08569	13.7
491.10413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67581	0.4
55.18071	0.4
57.03315	0.4
59.00985	0.5
59.01252	4.6
63.02256	1.1
65.00197	2.5
71.01256	1.9
71.01566	0.3
71.09222	0.4
71.54050	0.4
72.94997	0.4
72.99177	0.6
73.02820	0.9
78.15544	0.3
83.01254	1.5
85.02812	1.0
87.00743	3.4
89.02323	1.0
93.03326	0.9
97.06483	0.4
101.02325	1.0
107.01266	4.9
108.02061	0.7
109.02843	1.4
109.99979	0.6
113.02313	0.7
113.64037	0.4
119.04922	1.8
121.02844	3.7
121.33707	0.4
123.00735	0.8
123.04409	1.2
124.01525	0.8
125.02310	0.8
130.99725	0.5
133.02861	0.6
135.00749	1.2
135.04398	0.6
137.02313	0.7
145.02936	0.5
147.04411	0.7
148.01538	1.8
149.02386	2.0
149.06003	0.6
150.03078	0.5
151.00279	13.0
151.03893	1.7
152.00981	1.2
153.01796	1.2
161.02339	1.5
162.03018	0.4
163.00183	0.5
163.03899	1.0
164.01076	2.3
164.04723	1.4
165.05428	0.6
169.01335	0.7
169.06451	0.5
173.04507	0.5
175.03885	1.0
177.01826	0.8
179.07076	1.3
185.05905	0.4
187.03810	0.5
188.04643	0.6
190.02568	1.6
191.03314	0.6
193.05049	0.7
199.03964	1.2
200.04591	0.7
201.01993	0.6
202.02670	0.9
203.03511	2.1
204.04134	0.7
205.01401	0.5
211.03886	0.5
213.01978	0.4
214.02670	2.0
215.03435	0.9
216.00832	0.5
216.04161	0.9
218.98116	0.4
227.03429	2.4
228.04224	1.5
230.02205	3.1
231.02992	1.8
232.03723	5.8
243.02966	4.4
244.03590	0.8
255.03003	1.0
255.06612	3.8
256.03702	3.0
271.02481	16.4
271.05536	0.8
272.03076	3.7
273.07843	1.9
282.01620	0.7
283.02383	0.5
298.98691	0.8
299.01974	10.0
300.02740	80.8
301.03091	6.5
314.04044	0.5
315.05099	100.0
316.05429	9.9
355.14792	0.5
357.06375	0.6
419.75397	0.4
433.11508	2.1
441.01776	0.4
477.10364	35.5
478.10760	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27974	1.1
57.03318	1.6
59.01233	3.8
65.00161	1.2
69.03320	1.5
69.19131	5.7
69.19560	4.6
71.01276	2.3
77.90290	1.1
81.03324	6.8
83.01262	2.8
87.00749	2.2
87.43602	1.1
89.02313	1.8
93.03320	3.0
95.01244	1.9
95.04881	2.6
97.02865	5.1
98.20509	2.1
99.04375	2.9
101.02334	1.3
107.01248	1.4
107.04875	1.1
109.02831	3.6
111.04395	1.2
113.02315	1.9
115.05663	0.9
121.02857	3.0
122.03615	1.8
123.04377	6.4
124.01527	1.4
125.02341	22.0
135.04387	1.1
137.02362	9.3
138.03128	2.6
139.03879	1.6
146.03522	1.0
149.02315	4.3
150.03107	2.6
150.63788	1.0
151.00255	3.7
151.03946	6.0
152.01028	4.6
153.01823	5.5
155.03403	1.6
163.00293	2.5
163.03934	2.2
164.01097	1.6
165.01848	12.6
165.05482	2.2
166.02629	22.4
167.03407	33.1
176.00970	2.0
177.01785	3.1
178.02650	1.3
178.99829	1.4
179.03387	2.8
181.01392	1.5
192.04167	1.7
193.01335	4.5
194.02177	9.7
195.02774	1.2
197.04445	5.7
205.01389	2.1
207.06503	3.1
216.04218	1.2
218.02199	1.4
221.00839	5.2
223.02327	1.5
224.03140	4.0
230.05803	1.4
231.06587	2.9
233.04471	4.5
245.08061	1.3
259.09674	1.1
272.06799	1.5
273.07565	2.9
287.09116	1.9
289.07230	10.0
299.05530	1.1
300.06348	1.3
301.07196	2.2
313.07050	3.1
315.08887	2.7
317.06555	3.1
329.06644	1.9
331.04449	2.2
331.08209	33.0
332.08560	3.2
334.52252	1.3
341.06577	2.7
359.07715	100.0
360.08032	10.8
361.09207	7.6
371.07684	2.2
389.08795	32.1
389.13589	1.2
390.09006	3.9
401.08337	1.9
461.10977	5.5
479.11823	52.0
480.12183	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.64358	1.0
51.19754	1.1
53.77016	0.9
55.71998	1.0
57.20076	1.0
59.01255	8.5
61.98693	1.7
71.01257	5.3
71.53634	1.2
72.99169	2.3
73.02789	1.0
75.00739	2.8
85.02809	3.3
87.00753	8.7
88.98694	1.8
89.02332	5.1
91.09431	0.9
93.03330	2.2
99.00751	2.2
101.02303	2.3
107.01234	1.3
108.02068	1.1
109.02783	1.6
109.99950	1.3
111.00758	2.9
113.02316	3.0
119.03330	1.3
119.04942	1.2
121.02797	1.8
123.00806	1.3
123.04387	1.9
134.39197	1.0
136.01566	1.3
137.02324	1.7
147.04372	1.3
148.01575	1.3
148.05205	2.0
149.02348	2.8
150.03096	1.3
151.00230	3.0
151.03922	2.3
161.02444	1.1
163.00320	2.4
163.03865	2.4
164.04774	2.3
165.05432	1.5
167.03348	1.2
173.04498	1.2
175.03954	2.2
176.01056	2.7
177.01936	1.4
179.07002	2.8
181.08571	1.9
187.03918	2.1
191.03635	1.0
191.05563	2.1
194.79953	0.9
199.03996	2.7
200.04779	1.1
202.02745	2.2
203.03242	2.2
211.03824	1.2
213.01845	2.8
214.02878	1.1
215.03416	2.3
216.04254	3.9
225.05467	1.6
226.02661	2.4
227.03519	5.2
228.04164	5.3
229.01323	2.9
229.04720	1.2
230.02075	3.0
231.02901	2.0
243.02930	6.5
243.06592	1.6
244.03714	3.2
249.05988	2.0
254.02182	2.3
255.02959	4.0
256.03769	2.4
267.07254	2.7
268.28735	1.2
271.02451	21.9
272.03204	6.6
281.00839	1.1
281.04553	1.3
282.01801	8.0
283.02347	1.9
299.01956	26.8
300.02695	37.0
301.03070	3.9
314.04248	9.8
315.05151	27.1
315.08878	3.0
316.05313	3.6
329.31253	1.2
355.08170	1.2
357.06100	1.9
387.12128	2.5
433.11191	5.4
444.10852	1.9
477.10349	100.0
477.19714	3.6
478.10727	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.4
69.23840	1.9
69.24258	5.1
71.01257	4.3
72.99181	1.4
73.02836	0.9
75.00728	0.7
79.55035	0.7
83.04895	0.9
85.02826	2.3
87.00754	4.2
89.02317	1.1
93.03343	2.1
95.01252	1.6
99.00784	0.8
101.02325	0.9
105.03372	1.3
107.04913	0.7
108.02060	5.6
109.02870	6.1
113.02293	1.0
115.21914	0.7
117.03324	1.5
119.04935	0.8
121.02844	1.9
122.03664	5.5
123.00777	3.4
123.04436	4.2
124.01576	3.8
125.02355	5.7
133.02841	3.3
135.00731	1.6
135.04404	1.8
136.01518	1.6
137.02347	2.3
138.03058	0.9
145.02878	3.1
147.04506	1.6
149.02347	8.0
149.05914	1.1
149.98476	0.7
149.99533	4.2
150.03168	11.1
151.00299	3.9
151.03847	1.3
152.01103	6.3
153.01849	10.6
154.02196	0.9
155.03384	1.2
159.04523	0.9
160.01576	1.1
161.02394	8.0
162.03061	1.0
163.03926	2.2
167.03391	1.0
168.00557	8.2
169.01082	0.7
173.04453	4.9
173.05908	1.2
174.53885	0.7
175.03902	3.0
177.01834	2.0
178.02660	1.8
179.03397	1.8
182.02132	1.5
187.03979	1.6
189.01889	1.2
189.05533	0.9
191.05569	0.7
193.04991	1.0
195.02893	0.9
197.11688	1.0
199.03958	4.0
201.05495	1.3
203.03416	1.6
203.07036	0.9
215.03424	2.8
217.05125	1.1
225.05594	0.9
227.03488	4.9
227.06892	1.0
241.08705	0.7
242.02205	7.8
243.02960	38.2
244.03316	3.0
255.02884	0.8
257.04550	11.2
258.04929	2.0
270.01691	8.6
271.02466	37.4
272.02826	3.0
272.06927	2.7
273.07660	2.6
285.04059	20.7
285.07556	2.1
286.04739	7.4
287.09390	3.8
299.02017	7.0
299.09384	1.6
300.02667	7.0
300.06223	2.1
301.02603	1.1
303.21698	4.3
314.04318	46.7
315.04944	9.1
315.08691	37.9
316.09024	5.0
327.08868	3.3
331.06735	3.0
337.09338	0.7
345.09821	12.1
346.09973	1.4
357.09787	1.1
417.28995	1.0
477.10330	100.0
478.10696	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	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93334	0.7
53.44224	0.6
53.94216	0.7
57.03328	1.1
59.01253	16.6
59.65732	0.6
61.98690	0.9
67.01778	0.9
69.03316	0.9
69.46882	1.5
69.47289	3.6
71.01250	6.0
72.99187	1.3
73.02811	2.6
75.00751	1.5
81.03352	0.8
83.01263	1.3
83.04890	0.8
85.02806	2.7
87.00764	6.1
89.02314	2.0
93.03329	3.2
95.01270	1.5
97.06464	1.1
99.00801	1.6
101.02323	3.2
105.03353	1.3
107.01302	1.1
108.02048	9.4
109.02849	7.5
111.00751	1.0
111.04360	0.8
113.02311	2.5
117.03295	0.8
119.04919	1.8
121.02838	2.5
122.03619	4.1
123.00803	3.5
123.04381	2.7
124.01545	3.2
125.02361	5.2
133.02855	4.0
134.03644	1.4
135.00798	1.7
135.04381	2.2
136.01524	1.0
137.02327	3.3
137.05968	1.8
139.00247	0.9
145.02829	3.9
146.03633	0.9
147.04329	1.0
149.02361	6.0
149.05931	1.9
149.99490	3.6
150.03125	9.2
151.00194	3.7
151.03925	1.0
152.01076	8.0
153.01863	13.8
153.05418	0.9
159.04367	1.1
160.01587	1.7
161.02367	8.8
161.04480	1.5
161.05856	0.9
162.02972	1.0
163.03902	2.8
164.04666	1.0
167.03433	1.3
168.00554	9.1
169.01225	1.3
171.04420	0.8
173.04472	5.4
173.05901	1.2
175.03838	3.3
175.07533	0.7
177.01816	1.7
178.02618	1.4
178.99724	0.9
179.03398	1.5
182.02095	1.5
187.07588	0.9
188.04718	0.7
189.01883	1.1
189.05482	1.4
190.02669	0.9
191.03423	1.1
191.05383	1.1
192.04095	1.0
193.04942	2.1
197.11847	0.7
199.04013	3.4
201.01958	1.1
201.05589	1.2
201.09085	1.1
203.03528	1.5
211.07631	1.1
214.02757	0.9
215.03421	3.1
217.05020	0.9
219.02950	0.8
227.03494	4.7
229.01199	0.8
229.08742	0.8
241.05093	0.8
242.02155	8.6
243.02953	38.0
244.03284	4.2
255.02800	1.0
256.03500	0.9
256.07104	0.8
257.04550	12.7
258.04843	1.8
270.01691	9.7
271.02484	37.0
271.05499	1.4
272.02945	3.6
272.06821	2.7
273.07611	1.8
285.04089	19.7
285.07260	1.6
286.04776	7.9
287.09274	2.6
299.01968	9.9
299.09183	1.1
300.02673	6.9
300.06433	2.1
301.03021	1.4
303.21768	3.4
313.06836	0.8
314.04333	44.4
315.04950	14.0
315.08710	35.2
316.09094	3.4
327.08810	3.7
327.12045	0.8
331.06873	1.4
345.09808	9.5
357.05988	1.5
357.09851	0.9
371.14935	1.2
417.29050	1.3
464.44702	0.7
477.10336	100.0
478.10641	16.9
496.99576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23254	0.2
55.00280	0.2
57.27981	0.2
59.01220	0.5
68.16337	0.2
71.01237	0.2
78.95779	20.5
89.54912	0.2
96.80791	0.2
96.96835	1.3
97.01984	0.2
102.86390	0.2
121.99964	0.3
126.21938	0.2
140.01089	2.4
144.01575	0.2
152.98346	0.3
152.99503	3.1
171.00571	2.6
189.86749	0.2
196.03737	1.3
208.96147	0.2
214.04831	2.7
227.20018	0.2
261.22256	0.4
279.23297	100.0
280.23645	12.3
314.43924	0.2
321.42911	0.2
402.23944	0.3
475.35034	0.2
476.27896	15.3
476.34616	1.2
477.28247	2.8
477.35074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
59.99249	0.2
62.96291	0.3
70.68370	0.5
70.68734	0.4
78.95778	100.0
96.08217	0.2
96.96841	8.2
140.01089	0.7
148.34026	0.2
151.04184	0.2
152.99493	15.8
153.99936	0.3
171.00563	18.6
172.00908	0.3
196.03751	0.6
200.54123	0.2
214.04738	0.2
216.90169	0.3
238.09682	0.2
279.23306	4.7
279.26086	0.4
280.23706	0.5
331.29666	0.3
402.24243	1.5
403.24286	0.3
467.55481	0.3
476.27826	59.3
477.28159	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01587	1.2
65.16065	0.3
69.03354	0.5
69.21098	3.7
71.01249	3.3
73.02821	1.8
80.98092	0.4
82.68334	0.4
83.01251	0.5
85.02822	1.0
87.00771	1.0
89.02322	1.3
95.01269	0.5
95.05023	0.4
101.02340	3.2
113.02345	1.5
116.67439	0.3
119.03445	0.4
119.04973	0.6
121.02912	0.3
127.82581	0.3
137.02411	0.5
143.03499	0.4
143.71866	0.4
150.06032	0.4
161.04521	1.0
163.03920	0.9
165.75247	0.4
191.05560	0.5
271.06339	0.5
327.21872	1.0
415.23611	1.3
433.24521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82159	0.1
53.09521	0.1
59.01262	1.0
59.16360	0.2
65.03834	0.7
67.01762	0.4
79.05408	0.1
80.02512	0.2
80.11649	0.2
91.05406	2.3
93.03342	1.2
95.01286	0.2
96.02024	0.3
98.19661	0.3
108.02052	1.5
109.02836	11.6
110.03202	0.4
111.00759	0.3
119.56188	0.1
121.02845	36.9
122.03655	12.5
122.04333	0.1
122.04575	0.3
123.04456	3.2
124.04752	0.2
133.02882	0.6
134.03636	3.9
135.04419	20.8
136.04752	0.7
147.04416	3.1
149.05983	7.0
150.06328	0.3
159.04492	0.2
172.05200	0.2
186.06779	0.5
197.05981	0.5
199.03905	0.3
203.10695	0.4
211.07524	0.3
212.08313	0.7
213.05519	0.3
214.06322	0.9
215.06731	0.2
227.10735	0.2
229.08740	0.7
238.06300	0.8
239.06880	0.3
241.05023	1.0
253.08742	0.8
255.06514	0.3
256.07352	1.7
257.07721	0.2
260.84583	0.1
271.09747	100.0
272.10098	10.5
272.12369	0.1
295.09769	0.4
313.10696	0.3
415.13654	0.4
475.16006	0.5
475.24933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74007	0.3
57.05398	0.4
59.01253	7.6
65.03832	2.3
67.01760	0.7
68.45984	0.3
71.01251	0.5
71.39902	0.8
75.00757	2.3
80.82861	0.3
81.03347	0.6
89.76581	0.4
91.05409	11.4
92.05758	0.5
93.03333	2.3
105.03338	0.4
107.04937	0.4
108.02048	1.3
109.02839	17.3
110.03165	0.6
119.04889	0.9
121.02844	8.4
122.03148	0.4
123.04363	0.7
133.02846	1.4
134.03622	1.0
135.04414	100.0
136.01534	1.3
136.04749	5.8
137.02335	1.5
138.03140	4.5
139.03839	1.1
143.94939	0.3
145.02890	0.5
147.04422	15.1
148.01511	0.8
148.04913	0.8
149.02327	5.3
149.05978	2.6
150.06612	0.5
151.03896	5.9
152.04587	0.4
153.04243	0.8
153.05482	13.3
154.05835	0.4
157.06535	0.7
159.04411	1.3
161.02336	0.7
161.06059	1.9
163.03976	2.0
163.07495	0.5
164.04698	7.6
165.05095	0.5
167.06978	0.5
172.05177	0.5
173.02292	0.4
173.05954	4.4
174.03148	5.7
175.03944	2.5
175.07558	5.4
176.04643	0.5
177.05518	2.2
179.07053	16.8
180.07372	0.7
181.88820	0.4
185.05989	1.7
187.04012	2.0
187.07515	2.0
188.04782	0.5
189.05461	3.1
191.03413	0.5
192.04109	0.5
198.05168	0.5
199.07356	0.4
200.04645	1.1
201.05490	8.6
202.06131	0.8
203.07091	6.6
205.04987	1.1
212.04706	0.5
213.05522	2.6
215.07214	0.6
217.04889	0.4
220.53816	0.4
225.05511	0.6
227.07051	1.3
229.05093	0.6
231.06586	6.2
232.06931	0.7
233.11694	0.5
243.06519	0.7
254.05685	1.9
255.06485	1.0
269.08160	2.6
271.06134	1.4
271.09790	0.6
283.06097	0.8
283.09476	0.5
285.07541	0.5
293.08115	0.5
297.07397	0.5
298.08429	0.6
300.09988	0.8
301.10809	68.6
302.11176	6.9
309.07791	0.4
313.10779	2.2
314.11362	0.5
321.07794	0.4
325.07202	0.6
325.10748	1.8
325.14395	0.8
326.11462	0.6
337.06927	0.5
339.08606	0.5
339.12305	1.2
340.09457	2.4
341.10101	1.1
341.13947	3.7
342.14264	0.5
343.11856	0.7
351.12326	1.5
353.10153	1.1
353.13776	0.9
355.11905	2.3
357.13437	0.7
366.11124	0.6
367.11880	17.3
368.12555	2.7
369.13406	13.7
370.13727	1.6
372.12146	0.8
379.11816	3.0
385.12772	0.5
397.12912	21.6
398.13284	3.2
415.13971	3.6
416.14163	0.6
433.14868	1.4
475.20236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86536	0.1
58.65982	0.1
59.01250	0.8
65.03835	1.8
67.01749	0.5
69.33806	0.5
71.01247	0.2
79.05402	0.1
80.02563	0.2
87.00782	0.1
91.05411	7.0
92.05751	0.3
93.03345	1.7
95.01272	0.3
95.04916	0.1
97.02835	0.1
101.02356	0.1
102.63814	0.1
103.05421	0.1
105.03392	0.1
107.04890	0.4
108.01279	0.1
108.01483	0.0
108.02055	3.0
109.02838	31.7
110.03165	1.1
111.00764	0.1
119.04920	0.3
121.02844	15.1
122.03209	0.4
122.03630	0.5
123.04411	5.0
124.04753	0.2
126.08564	0.1
133.02866	1.1
134.03642	6.6
135.04414	82.1
136.04749	4.1
136.06294	0.1
137.05978	0.2
146.03674	0.3
147.04424	6.6
148.01534	0.1
148.04668	0.3
149.05986	19.7
150.06332	1.1
154.19569	0.1
159.04468	0.3
160.05215	0.1
161.05974	0.2
169.06555	0.1
170.07320	0.2
171.04465	0.1
172.05194	0.1
173.05943	0.2
183.04495	0.1
184.05200	0.1
185.05975	0.1
186.06789	0.9
187.03912	0.1
187.07574	0.1
188.04686	0.6
188.08330	0.2
189.05527	0.1
194.07292	0.4
195.08049	0.1
196.05263	0.3
197.06023	2.1
198.06352	0.2
199.03963	0.3
200.04504	0.1
201.05605	0.1
201.09119	0.7
203.07155	0.4
203.10719	0.9
210.06755	0.2
211.07545	0.6
212.08337	1.2
213.01949	0.1
213.05545	0.7
213.08687	0.1
214.06270	1.3
215.06819	0.1
227.03502	0.4
227.07027	0.1
227.10739	0.3
228.07805	0.3
229.08669	1.1
230.09041	0.1
237.05556	0.3
238.06342	1.6
238.08594	0.1
239.07097	0.5
241.05020	1.4
242.05475	0.1
243.10324	0.3
253.08679	2.1
254.06007	0.1
254.09126	0.2
255.06563	0.7
256.07361	2.3
257.07608	0.1
269.08167	0.1
271.09744	100.0
272.10092	10.4
295.09769	0.4
313.10785	0.4
354.78857	0.1
415.13760	0.5
433.14822	0.1
475.16156	0.7
475.28857	0.1
476.16129	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	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36972	4.3
59.01252	15.4
69.94587	22.8
71.01248	27.3
72.57542	5.5
72.99183	65.5
75.00751	18.9
87.00746	15.2
89.02313	16.6
89.93195	6.2
91.14488	4.8
98.20555	5.2
101.02338	5.0
103.00254	7.3
109.95853	5.1
115.00274	32.0
119.03477	5.3
127.51118	4.7
133.01334	100.0
133.04964	38.1
134.01590	5.8
135.02882	12.9
163.02296	5.0
163.06039	11.5
165.03967	12.2
166.63043	4.7
287.80414	4.6
454.05032	4.5
475.12509	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.0
65.03831	0.8
65.05318	0.4
69.94640	1.4
91.05418	1.5
93.03333	1.0
98.20533	0.5
108.02030	1.4
109.02840	11.3
121.02844	39.6
122.03658	15.0
123.04446	3.0
134.03642	4.0
135.04414	19.7
136.04747	1.0
147.04431	3.0
149.06000	6.5
150.06396	0.6
160.02086	0.4
197.06058	0.9
198.63472	0.4
229.08806	1.1
238.06363	0.8
241.04938	1.0
253.08760	1.0
256.07379	1.4
271.09747	100.0
272.10086	8.8
281.48621	0.5
415.13916	1.0
475.15891	0.8
475.25269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60928	0.1
57.92875	0.2
59.01252	1.9
65.03830	1.2
67.01761	0.6
69.30663	1.1
80.02502	0.3
81.03346	0.2
84.57298	0.2
91.05405	3.3
93.03337	1.0
95.01256	0.3
101.02349	0.2
103.05390	0.3
107.04922	0.4
108.02052	3.8
109.02836	27.7
110.03185	1.0
110.16896	0.2
111.00761	0.3
119.04853	0.2
121.02843	6.8
122.03696	0.4
123.04411	5.7
124.04701	0.2
133.02858	1.1
134.03639	3.8
135.04414	33.0
136.04753	1.7
137.05936	0.2
146.03610	0.4
147.04420	6.8
148.01546	0.2
148.04860	0.3
149.05981	8.0
150.06320	0.5
159.04495	0.2
160.05154	0.2
161.02357	0.2
170.07286	0.3
172.05194	0.2
173.04427	0.2
173.05931	0.4
186.06810	1.0
187.07465	0.2
188.04735	0.8
194.07285	0.3
196.05209	0.4
197.04218	0.3
197.06018	3.3
198.06378	0.3
199.03938	0.4
201.09117	0.5
203.07050	0.4
203.10753	1.1
211.07628	0.8
212.08380	1.5
213.05452	0.8
213.08838	0.3
214.06311	1.5
224.08328	0.2
227.03452	0.5
227.07054	0.2
227.10707	0.4
228.07837	0.4
229.08685	1.6
229.69319	0.2
237.05478	0.3
238.06319	2.3
239.07095	0.9
241.05046	2.4
242.05547	0.2
243.10155	0.4
253.08672	3.2
254.09131	0.4
254.37431	0.2
255.06506	0.7
256.07373	3.0
271.09747	100.0
272.10092	10.2
370.68219	0.2
443.13483	0.2
475.25995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.8
57.03327	4.4
58.64664	1.3
59.01253	33.5
59.12311	1.2
67.01745	2.7
68.99689	2.0
69.03330	2.9
71.01255	37.6
71.52586	2.4
72.99187	13.7
73.02813	5.4
75.00749	15.9
81.03326	1.6
83.01234	3.7
85.02826	36.5
87.00752	14.2
88.46194	1.6
89.02322	10.2
91.01774	1.7
91.03876	1.8
93.03336	5.3
95.01274	6.3
95.04884	2.9
97.80350	1.5
99.00755	11.6
101.02353	7.8
103.00237	4.8
105.03355	2.5
108.02009	3.6
109.02844	14.1
111.00764	2.8
113.02340	44.5
115.00249	3.1
117.01815	2.6
121.02834	10.0
123.00779	4.0
123.04433	9.9
124.01564	3.6
125.02342	1.6
129.01836	3.0
133.02827	2.0
135.04405	4.3
136.01567	2.1
137.02368	10.9
138.03130	13.9
139.03897	5.9
146.08530	1.4
148.01520	7.0
149.02344	10.0
151.03954	2.4
153.05495	14.1
161.02309	2.9
161.04459	3.5
163.00284	2.0
163.03928	14.8
164.01053	4.7
165.01839	5.0
166.02643	10.5
167.03365	4.2
173.06128	1.5
177.01892	2.9
179.03465	3.3
181.05011	20.0
183.02914	1.5
186.92084	1.6
191.05446	2.4
192.00580	14.8
193.01315	4.6
193.03412	4.4
193.04985	2.7
206.99287	3.6
207.02928	18.0
225.04018	18.4
248.38660	1.8
249.06161	41.1
267.07202	100.0
268.07520	5.2
269.10367	6.6
291.07343	1.5
372.15549	1.7
415.16016	5.7
443.08344	1.9
445.66159	1.7
457.09695	4.3
475.10971	24.3
475.17316	2.3
476.11169	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	475.1241
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
56.18183	0.4
59.01251	20.3
60.32322	0.3
65.00209	0.6
69.52536	1.6
69.52939	0.8
71.01252	6.3
72.99183	0.7
73.02823	2.9
74.47041	0.3
83.01255	0.7
83.04962	0.4
85.02816	2.2
87.00738	1.6
89.02306	4.1
91.01809	0.7
93.03320	1.5
95.01260	0.4
99.00765	0.5
101.02328	4.2
107.01238	0.5
108.02022	0.8
109.02809	0.6
113.02333	3.6
119.03387	1.7
119.04904	3.0
121.02827	0.7
123.00819	0.5
123.04420	0.4
125.02327	1.1
130.98712	0.4
133.02821	1.1
135.00780	1.1
137.02354	1.5
143.03384	0.8
143.04842	0.4
145.02859	0.4
147.04419	0.6
149.02425	0.7
151.00287	0.8
153.01869	0.7
160.01587	0.9
161.02376	0.9
161.04453	0.9
163.00287	0.6
163.03995	0.7
165.01854	0.7
165.05431	0.4
165.61169	0.4
167.03540	0.5
175.03911	1.0
176.20102	0.4
177.01797	0.5
179.05508	1.1
182.03691	0.6
183.04277	0.5
185.02321	0.9
187.03981	0.6
192.04298	0.4
193.01372	1.5
193.05040	0.9
197.02591	0.4
197.06068	0.6
198.03123	0.8
198.17636	0.4
199.03851	0.4
200.04675	0.4
206.38438	0.4
210.03183	2.4
211.03915	1.6
213.01823	0.4
215.03459	0.6
219.02945	0.4
223.03966	1.0
224.04753	0.5
225.05469	1.0
226.02658	1.4
227.03590	1.9
228.03877	0.4
237.01851	1.8
238.02556	2.1
239.03423	2.8
240.04054	0.7
241.05092	0.4
251.03458	0.9
253.04991	1.3
254.02179	15.4
255.02925	6.7
256.03555	0.5
265.01395	0.7
266.02078	1.9
267.02951	5.1
268.03748	2.0
269.04547	27.0
270.04941	2.9
271.06073	1.0
273.11258	0.4
281.01382	0.8
281.04523	7.2
282.01880	0.7
282.05069	1.6
283.02502	12.2
283.06079	3.6
284.03085	2.7
284.06296	0.7
295.02533	0.8
295.05954	0.5
296.03256	1.5
297.04037	63.5
298.04529	8.8
299.05383	0.8
303.14636	0.4
311.05603	8.9
312.06390	16.4
313.07144	21.9
314.07544	2.7
343.08115	2.3
355.08099	0.6
415.23465	1.2
416.23972	0.5
433.24380	1.3
445.07635	1.8
460.10056	0.7
475.12448	100.0
476.12793	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	473.3638
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
53.52386	0.5
57.55069	0.6
59.01262	0.9
60.99184	1.5
71.37575	1.1
85.06471	4.5
86.90842	0.6
87.04392	1.3
101.37283	0.6
116.43230	0.5
119.21271	0.6
124.97099	0.7
165.13553	0.5
183.66745	0.6
205.15866	0.7
313.25424	2.0
329.28564	1.9
341.28372	0.8
357.31616	3.0
369.31403	1.3
373.34723	25.5
374.34967	4.5
379.29556	0.7
385.34885	1.5
399.32697	8.6
400.32874	1.5
409.34720	7.6
410.35172	1.4
411.35733	1.2
417.33752	49.7
418.34113	9.9
429.33655	14.8
430.34277	3.1
473.28763	4.3
473.36362	100.0
474.36676	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37750	0.2
59.01246	1.6
61.98698	0.4
66.09595	0.2
67.29255	0.2
69.26422	0.3
69.26830	1.4
71.01236	0.4
78.95779	25.8
83.04911	0.3
96.96830	1.7
97.06478	0.2
121.84783	0.2
122.00029	0.4
127.07484	0.3
131.45169	0.2
137.02332	0.3
137.27922	0.2
140.01080	2.5
145.02817	0.2
147.04410	0.4
152.99489	4.0
163.21451	0.2
171.00548	3.6
196.03732	1.3
214.04807	3.5
233.22774	0.4
259.20685	0.4
275.20200	0.6
277.21716	100.0
278.22061	11.0
379.84396	0.2
383.22238	0.3
400.22470	0.4
401.23047	0.3
457.25891	0.7
457.32886	0.2
474.26239	17.9
475.26553	3.9
475.32834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
59.62333	0.4
71.90833	0.4
78.95777	27.0
104.30688	0.4
110.13174	0.4
112.35909	0.4
122.00012	0.9
134.05330	0.4
140.01077	6.4
147.04416	0.6
152.99512	2.4
157.93571	0.4
173.90141	0.4
196.03729	13.0
214.04814	3.0
246.34438	0.5
259.20581	0.5
277.21716	100.0
278.22037	11.8
337.21686	0.5
356.89008	0.5
474.26224	24.7
475.26590	5.7
475.34366	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	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	91.4
61.49235	9.0
62.76114	9.0
69.19408	100.0
69.38752	8.7
70.46046	8.5
71.01266	71.4
89.02320	94.4
101.02330	21.2
113.02326	13.8
121.10099	21.4
171.10187	33.7
173.80286	9.8
179.05540	23.7
275.20126	79.3
293.21228	94.0
294.21603	13.6
473.19037	13.1
473.32864	21.3
474.08740	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	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67568	8.8
52.80402	7.9
59.01248	71.4
65.52339	8.0
71.01248	55.5
71.53295	12.9
79.07302	8.5
82.72724	10.1
89.02328	68.1
101.02331	12.4
102.61942	10.7
113.02288	15.7
119.03412	14.2
121.02895	11.4
127.37375	8.1
153.88144	10.1
161.04451	9.4
179.05603	12.3
186.16373	9.8
226.20103	11.3
277.21564	19.7
293.21204	100.0
421.23700	10.1
473.32892	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	473.3636
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
59.01247	2.7
66.33514	0.8
71.53078	0.7
71.53493	1.1
78.95771	1.2
92.89563	0.8
97.44130	0.9
115.08112	0.8
152.99477	1.5
191.14394	1.7
195.99591	0.8
205.15953	2.4
207.17447	6.2
229.53752	1.0
265.18082	13.2
267.19714	3.0
305.24808	1.8
413.33765	1.0
429.37354	16.1
430.37683	3.5
473.36441	100.0
474.36734	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01569	1.7
71.01246	1.0
130.38109	0.8
179.12430	0.9
192.04192	1.1
232.57550	1.0
247.97485	0.8
284.79416	0.9
326.27557	1.0
332.83182	0.9
350.18570	1.0
406.53073	0.9
414.13754	1.1
429.34070	0.9
469.97818	1.0
473.32916	2.9
491.07236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66225	0.4
59.01254	100.0
60.01600	1.3
65.11380	0.4
68.55800	0.4
70.73857	0.8
71.01260	1.7
71.97476	0.4
73.02824	0.7
79.30184	0.5
85.02848	1.0
87.00774	2.6
95.55273	0.4
97.06537	0.6
99.00773	0.6
101.02331	1.0
109.02853	0.7
113.02370	1.1
116.26649	0.5
121.02874	1.9
123.04417	0.6
133.02855	5.9
135.04439	0.5
137.02377	0.7
147.04459	1.2
148.01527	0.5
149.02341	0.6
149.05992	0.6
154.72729	0.4
159.04515	0.6
160.01733	0.4
161.04616	0.5
163.03877	0.7
168.04274	0.5
173.04565	0.6
175.03981	0.5
193.05019	0.5
209.15395	0.8
213.05376	0.6
217.01457	0.5
226.06233	0.4
254.05792	2.2
268.03906	0.5
269.05310	0.8
269.08188	8.7
270.08771	1.3
271.09808	1.3
311.09415	0.5
371.20551	0.5
413.22101	0.8
443.08014	0.6
472.74106	0.6
473.11990	0.7
473.27167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01585	1.5
69.37263	2.4
71.01268	0.4
71.40031	0.2
73.82533	0.3
81.38566	0.3
81.64796	0.2
87.00740	0.4
89.01110	0.3
98.19753	0.5
100.09394	0.3
101.02321	0.4
109.80331	0.2
113.02366	0.3
147.04420	2.1
148.89400	0.3
179.03487	0.7
191.03516	0.3
207.02907	1.7
216.87527	0.3
222.05379	0.8
223.06294	0.3
237.07666	1.3
257.17474	0.3
263.82651	0.4
404.61093	0.3
473.20786	0.3
473.29514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.2
59.01250	100.0
60.01585	0.7
68.99677	0.9
69.39398	0.6
69.39799	0.3
71.01243	1.2
72.99174	0.2
73.02826	0.6
75.00745	0.2
79.05411	0.5
83.01257	0.2
85.02805	0.5
87.00748	1.0
89.02320	0.5
91.05406	2.6
93.03349	0.6
95.04900	1.6
98.19748	0.2
99.00772	0.2
101.02331	0.8
101.02922	0.2
101.03826	0.3
102.04637	0.2
103.05401	1.4
105.02625	0.2
105.03340	3.3
105.04008	0.2
107.04900	0.2
108.02050	1.0
111.76379	0.1
113.02333	0.6
116.05566	0.1
117.03336	0.3
119.01268	0.2
119.03436	0.1
119.04919	3.4
121.02847	2.8
123.04405	0.1
125.02371	0.2
129.03349	0.6
130.04132	0.2
130.99728	0.2
131.03436	0.1
132.02095	0.1
133.02852	0.2
135.04382	0.3
137.02365	0.8
139.03925	0.2
145.02873	1.4
146.03645	0.5
147.00769	1.2
147.04425	23.6
148.04771	1.2
149.02364	0.8
149.05977	0.5
151.03941	0.3
159.04454	0.1
161.02362	0.6
161.04495	0.2
161.09679	0.2
161.13245	0.3
163.03871	0.5
164.01041	0.2
164.04758	0.8
165.01619	0.1
165.05470	0.1
173.02388	0.2
173.04532	0.3
173.05894	0.1
175.03877	0.2
177.01814	0.1
179.03438	5.3
179.06947	0.8
180.03825	0.3
187.11180	0.3
189.01851	0.4
189.09122	0.2
191.03442	4.1
191.89142	0.1
192.04048	0.6
193.04974	0.5
205.05013	0.5
205.12280	0.3
206.02148	0.2
206.05775	0.2
207.02934	20.9
207.06497	0.9
208.03561	2.2
217.01393	2.3
218.02074	0.8
219.02879	0.1
221.04454	0.2
222.05292	18.5
223.05948	3.6
223.08107	0.2
223.13371	0.5
224.06445	0.3
227.03438	0.2
237.07648	17.8
238.08034	1.1
249.05957	0.2
249.11301	0.3
255.02927	0.3
267.06992	0.4
267.12518	0.3
271.02310	0.2
327.12344	0.1
358.07001	0.8
397.09381	0.7
429.11777	0.6
429.17279	0.2
455.12808	0.2
473.04913	1.2
473.10803	3.1
473.20065	0.5
474.05319	0.3
474.11194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71079	0.2
52.52438	0.2
55.01738	0.3
57.03329	0.3
57.59358	0.2
57.99263	0.3
59.01253	6.0
71.01247	2.2
71.32620	0.4
72.18366	0.2
72.99183	0.6
73.02814	1.0
75.00740	0.4
83.01292	0.3
85.02844	1.2
87.00758	2.0
89.02306	0.7
93.03342	0.7
95.01257	0.3
99.00784	0.5
101.02316	1.1
108.02075	0.3
109.02840	0.6
111.00768	0.3
113.02341	1.5
119.03399	0.4
119.04919	0.3
121.02846	100.0
122.03160	3.6
125.02352	0.3
130.99689	0.3
131.03444	0.3
135.04456	0.5
137.02351	0.5
137.05968	0.4
143.03429	0.4
145.02809	0.3
147.04431	0.5
147.64088	0.3
149.06003	0.4
153.01874	0.3
159.04279	0.2
161.02396	0.3
161.04492	0.6
163.03911	0.5
171.06598	0.3
173.04492	0.6
173.05934	0.3
175.04004	0.4
177.05658	0.3
191.05507	0.6
193.05106	0.3
219.03018	0.4
237.09792	1.2
269.04590	0.4
279.10843	0.8
286.35641	0.3
300.02567	0.3
351.12952	1.4
413.22055	0.3
430.51083	0.3
473.10043	0.3
473.15729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
57.05044	1.7
59.01255	100.0
60.01593	2.7
66.06808	2.0
69.03323	1.9
71.01274	13.7
71.53699	2.7
73.02805	6.3
75.00771	2.8
83.04912	3.2
85.02827	5.5
87.00763	11.5
89.02308	7.3
93.03336	4.6
98.02400	2.0
101.02322	11.4
108.02059	2.5
113.02338	7.7
119.03387	3.8
122.06025	4.6
123.08042	4.8
132.04430	3.4
133.02866	2.0
137.02272	2.5
145.13106	2.1
147.04413	6.3
149.05977	3.3
152.01024	3.6
152.07028	6.5
161.02428	4.2
161.04422	4.6
163.11185	2.1
165.03931	2.1
173.04491	3.1
173.05954	4.2
175.03969	2.8
179.03528	2.9
189.12729	5.4
191.05569	4.5
191.07114	2.3
204.06522	2.4
207.13834	6.5
219.02908	6.7
269.04636	9.3
271.94336	1.8
367.44354	2.2
369.14700	6.5
455.10135	2.9
473.10028	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	473.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79610	1.7
59.01251	13.1
59.89098	1.5
68.99695	3.5
69.39745	6.5
69.40180	6.6
71.01259	4.0
81.87290	1.8
87.00763	3.8
89.02319	2.2
91.05407	11.8
93.03332	2.3
95.04899	5.9
99.00773	2.2
99.79083	1.7
101.02321	2.6
101.45129	1.7
103.05416	6.0
105.03342	12.5
108.02035	4.1
113.02377	2.2
119.04927	13.0
121.02848	7.9
129.03310	2.0
137.02321	2.7
145.02847	5.5
147.00754	4.2
147.04419	100.0
148.04840	7.2
149.02342	2.9
149.06003	4.5
178.02220	1.7
179.03407	18.7
182.01224	1.7
191.03424	15.7
193.04938	3.2
207.02936	78.6
207.04881	4.3
207.06488	3.6
208.03464	6.3
217.01384	8.4
218.02057	4.8
222.05283	67.4
223.05942	13.7
237.07642	77.0
238.07892	4.8
397.09134	11.0
429.11676	3.7
473.11023	12.6
474.11673	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	471.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.2
69.49205	13.0
71.01234	1.4
78.95772	5.9
79.41778	1.7
94.79950	1.6
152.99515	5.1
167.10696	1.6
218.57295	1.6
277.21738	100.0
278.22021	10.4
471.35147	21.2
472.35294	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74789	0.5
57.03335	0.6
59.01252	47.1
63.50042	0.7
65.03825	0.6
68.99686	2.8
71.01258	3.4
71.54400	0.9
73.02843	1.0
79.05402	2.7
85.02828	1.3
85.82732	0.6
87.00757	2.2
88.58646	0.5
89.02320	1.2
91.05410	12.2
91.05946	0.7
92.05723	0.7
93.03360	2.9
95.04900	6.3
99.00771	0.7
101.02341	2.7
101.03839	1.2
103.05422	5.4
105.03344	14.7
108.02061	5.2
111.00813	0.6
113.02355	1.5
117.03384	0.7
119.01305	0.9
119.04923	15.3
120.05319	0.7
121.02835	10.0
123.04362	0.7
129.03331	3.7
133.02852	0.8
137.02336	3.4
139.03935	1.0
145.02890	3.0
146.03661	1.8
147.00780	5.2
147.04424	100.0
148.01564	0.6
148.04922	4.4
149.02362	2.3
149.05975	3.3
151.03923	1.7
163.03905	1.1
164.00920	0.7
164.04694	1.4
173.04449	0.7
175.03987	0.9
176.01102	0.9
179.03412	22.7
179.06979	1.2
180.03842	1.2
191.03435	21.4
192.04048	3.3
193.04993	1.8
205.05013	0.7
206.02199	0.7
207.02930	99.5
207.06630	2.6
208.03485	10.9
217.01347	5.4
217.59888	0.6
218.02092	1.2
219.02888	1.1
221.04428	0.9
222.05290	82.8
223.05931	15.8
224.06297	0.8
237.07651	75.2
238.07945	5.2
267.06628	0.7
277.98282	0.6
279.06631	1.0
283.09338	0.6
285.04080	0.6
323.05743	0.8
338.07803	0.8
369.09720	0.6
382.06485	0.6
397.09265	9.1
398.09436	0.9
408.53589	0.7
413.21661	1.4
429.11801	2.6
431.22742	0.9
473.10776	16.5
473.23715	4.0
474.11334	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04954	0.2
55.01756	0.3
56.22673	0.2
57.03318	0.3
59.01255	2.5
63.40413	0.2
69.79332	0.2
71.01250	2.5
73.02818	1.6
80.96379	1.6
83.01259	0.6
85.02821	1.8
87.00774	0.5
89.02351	0.4
93.03345	1.0
97.02843	0.3
99.00748	0.3
101.02327	3.8
108.56078	0.2
113.02313	1.2
117.03349	12.0
118.03682	0.5
119.04917	68.8
120.05264	3.3
121.02799	0.3
123.04403	0.3
123.11571	0.2
129.40263	0.2
135.04480	0.3
145.02856	30.6
146.03200	2.0
161.04442	0.8
163.03920	100.0
164.04257	5.6
164.98599	0.3
193.07112	3.9
255.88136	0.3
300.22476	0.2
325.11285	0.8
411.77951	0.3
471.15079	12.2
472.15509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42707	2.3
57.01934	2.2
58.65537	2.4
59.01245	7.9
71.01254	3.5
71.52994	2.8
72.99160	3.0
73.02817	3.0
83.04903	2.9
85.02805	4.8
87.00731	5.1
93.03336	3.2
95.04932	12.0
101.02326	3.7
104.01762	2.1
106.21910	2.0
109.02818	3.2
111.04381	3.7
113.02351	3.3
113.05942	11.4
121.06465	4.5
122.24712	2.5
123.08007	4.3
137.06064	2.2
137.09631	2.7
139.07549	4.3
147.08057	8.3
149.09534	2.8
161.04486	5.0
163.03893	3.4
163.07555	4.5
165.09091	2.8
166.29874	2.2
166.75520	2.2
171.11691	2.5
173.04456	5.1
189.09145	52.9
189.10901	4.1
189.11234	3.1
189.12758	32.2
190.13130	2.9
191.05505	2.9
193.07095	10.0
198.67932	2.8
207.13840	4.8
233.11710	5.5
251.12866	100.0
252.13257	8.3
265.04990	2.9
277.08029	4.7
277.10825	53.0
278.11145	7.1
295.11914	63.7
296.12207	6.2
339.08694	2.9
349.12198	2.5
365.06329	8.0
366.85706	2.7
409.05435	6.6
471.34641	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52513	0.3
55.29959	0.4
57.03315	0.6
57.39608	0.3
59.01250	5.2
61.56477	0.3
61.98703	0.4
65.55960	0.3
69.24388	3.5
71.01257	2.7
73.02818	1.3
73.93481	0.3
75.00740	0.6
85.02836	1.5
87.00755	1.5
89.02332	0.8
93.03380	0.5
98.19735	0.8
99.00755	1.0
101.02331	2.8
109.02794	0.5
111.09582	0.3
113.02335	1.3
117.03344	6.9
117.53831	0.3
119.04916	49.4
120.05243	1.7
136.07631	0.5
145.02858	25.5
146.03200	1.5
149.05972	0.5
160.01564	0.4
161.04497	0.7
163.03922	100.0
164.04274	5.7
173.04532	0.7
173.06012	0.5
175.03922	0.7
193.05229	0.6
193.07112	3.4
207.10320	0.5
281.85001	0.4
325.11349	0.7
331.93112	0.3
471.14987	13.0
472.15561	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	471.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01250	4.8
69.90679	1.4
69.91088	2.4
71.01238	1.8
73.02828	0.9
85.02826	0.9
87.00751	2.2
89.03833	1.8
93.03353	1.5
105.03377	0.7
109.02835	1.1
109.22455	0.8
111.00765	3.3
113.02330	0.9
113.45422	0.7
121.02834	0.8
124.01569	1.3
125.02335	2.5
132.02034	0.8
133.02850	3.5
135.00735	1.3
135.08023	1.0
137.02351	4.6
139.03835	0.8
145.02867	0.8
147.00853	0.9
147.04401	1.2
149.05888	1.5
151.00356	0.7
151.03909	0.8
160.01573	2.3
161.02356	17.7
162.03159	4.2
163.03749	0.9
164.04401	0.6
172.69205	0.6
173.04475	1.4
174.03084	1.0
175.03854	0.8
176.00945	1.1
177.01852	42.0
178.02219	2.1
185.02322	0.7
189.01851	4.5
190.02597	8.2
191.03494	0.7
191.05257	0.7
200.00919	0.7
201.01657	0.7
205.01379	1.0
206.80914	0.7
207.02914	2.9
208.03653	1.0
209.05978	1.1
213.01799	0.7
215.03423	0.8
216.04253	1.0
219.02913	2.0
222.05315	1.7
236.04724	1.0
237.05508	2.1
237.07631	1.4
239.03796	0.7
241.01353	1.3
249.05714	1.0
251.03560	0.8
253.05063	1.7
258.01599	1.1
259.16385	0.7
261.04031	0.8
264.04343	0.9
265.05042	4.8
266.05420	1.1
267.02988	0.9
268.03723	0.8
273.04047	3.6
277.04971	1.1
279.06735	0.8
280.03796	2.2
281.04581	3.7
282.05286	0.7
283.05914	0.8
291.03128	1.0
292.03912	1.2
293.04514	2.8
294.05142	1.5
295.02344	1.1
296.03110	1.7
297.07706	1.3
308.03220	1.0
309.04193	4.9
309.07455	1.2
313.07169	0.9
319.02545	1.1
320.03513	0.7
321.03992	5.5
322.04807	1.2
323.05435	0.9
324.02753	4.8
325.03314	0.9
325.06924	1.2
335.05661	1.2
336.02731	0.8
336.06458	0.9
337.03461	7.9
338.04099	2.8
339.05170	1.2
341.06631	2.4
343.08157	1.1
349.03458	1.1
351.05093	2.0
352.05887	2.0
353.06619	5.1
353.82626	0.7
365.03040	6.3
367.08029	2.5
368.08966	2.2
369.06061	3.3
380.05469	2.7
381.05835	1.7
383.11420	2.6
395.07605	2.5
397.05566	9.6
412.07968	5.0
427.10309	100.0
428.10663	15.7
439.06726	2.1
471.09119	9.8
471.21817	0.7
472.09927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54393	3.7
59.01249	14.0
65.23065	4.0
71.01254	13.3
71.53975	6.9
85.02837	9.8
87.00745	12.5
93.03321	5.3
94.02833	6.7
101.13458	4.1
108.02106	5.7
113.02322	6.0
123.04447	6.6
133.02858	6.8
134.03627	6.0
135.04408	32.1
138.01917	5.4
145.02863	5.6
147.04410	6.3
148.05199	6.7
149.05994	100.0
152.00955	4.1
159.72227	3.8
161.02356	23.0
163.03949	5.0
173.04465	7.8
179.03477	5.7
189.01894	5.8
191.05475	8.3
193.05013	44.9
204.02898	5.0
217.04938	4.0
237.04015	77.9
246.72545	4.0
267.07211	12.8
383.07999	4.1
408.63397	4.3
411.18634	5.8
471.15854	22.0
471.35022	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	469.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.4
61.98703	36.7
71.49033	4.3
86.38127	2.2
89.02337	5.2
92.33876	2.4
106.26258	2.6
113.02319	2.4
127.42947	2.2
135.04398	5.1
137.02324	4.7
145.02841	10.2
147.04347	4.3
155.60544	2.5
158.03636	2.9
161.02322	4.0
165.01843	14.0
165.04025	3.0
179.03349	3.1
180.04169	9.1
180.05727	6.2
182.03691	2.9
187.03969	2.9
191.05519	5.6
195.06604	17.1
197.06076	3.6
203.61462	2.4
206.07153	3.3
207.08089	3.5
208.05283	7.9
209.06068	4.2
209.09677	3.3
211.03937	4.7
217.06599	3.8
219.08073	11.2
220.06210	2.6
220.08852	7.0
221.06093	8.1
221.09660	15.4
222.06844	6.9
223.07582	7.4
224.04857	4.7
224.63419	2.9
225.05688	2.6
225.07695	7.6
228.20578	2.9
232.05269	5.7
233.06041	12.2
234.03300	3.9
234.06645	6.0
235.03957	4.6
235.07623	6.9
236.08376	3.8
237.09210	12.5
245.06094	6.6
246.06750	5.8
247.07600	25.2
248.04761	3.2
248.08260	12.6
249.05780	11.5
249.09193	45.4
250.06377	4.5
250.09399	4.3
251.07001	5.1
252.04169	3.1
263.07001	12.3
265.08704	26.7
273.05670	6.3
274.06317	3.8
275.07120	29.1
275.52597	2.8
277.04947	3.8
278.05850	3.8
291.06647	19.8
293.08209	39.1
294.08511	5.8
298.04721	5.8
301.05142	8.4
309.07690	5.6
319.06097	31.1
324.79459	2.6
335.05594	7.5
337.07178	80.9
338.07462	11.1
338.15686	3.1
363.05103	58.0
364.05450	9.7
381.06137	37.2
382.06503	7.4
389.03058	9.0
390.03537	3.1
407.04059	100.0
408.04544	13.2
425.05106	33.3
426.05316	6.7
451.03168	5.6
469.03949	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	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	46.2
58.00502	0.9
58.03666	0.8
59.01252	23.4
71.01252	8.1
73.02818	1.9
75.00742	3.0
81.03302	0.9
83.01293	0.8
87.00776	2.0
87.66376	0.8
89.02307	3.4
93.03319	1.5
97.02768	0.7
98.20586	2.9
99.04395	22.8
100.04728	0.9
101.02324	12.8
107.78052	0.8
125.02342	8.7
134.03629	2.5
135.04416	0.8
145.07629	5.3
160.06311	17.0
161.04478	11.0
161.07109	46.3
162.07422	2.6
173.04466	3.6
173.10698	1.4
175.08681	31.5
176.08984	1.2
176.83910	0.8
185.10777	1.4
187.08719	6.5
189.06624	78.1
190.07022	4.1
191.05554	2.6
201.10291	7.9
203.06284	1.7
203.08195	33.2
203.11884	9.0
204.08501	2.6
217.09790	1.2
229.09795	16.8
230.10136	1.2
277.11899	3.0
287.10501	0.9
293.10297	2.9
305.11435	67.2
306.11807	6.2
323.12473	100.0
324.12790	8.8
348.32928	0.9
352.83380	1.0
365.13501	14.0
405.16684	1.3
467.16266	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	467.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71901	1.4
57.03329	31.2
59.01254	30.5
67.01767	2.3
67.53039	1.2
71.01260	11.9
71.53671	1.5
72.99191	5.0
73.02824	2.3
75.00748	9.4
79.63676	1.3
81.03312	1.7
83.01246	1.8
85.02832	3.5
87.00757	11.8
89.02332	7.2
93.03326	11.6
99.00772	2.3
99.04401	21.5
101.02338	12.5
109.02866	3.0
113.02331	2.7
119.03390	1.6
119.04976	1.5
119.50482	1.2
125.02332	11.5
128.01140	1.6
134.03662	2.2
135.04428	8.0
137.02357	4.8
145.07631	5.0
147.04463	1.6
149.05972	1.7
151.03857	1.3
155.03387	2.1
159.04454	3.0
160.06331	13.2
161.02422	1.5
161.04459	8.1
161.07124	46.2
162.07414	2.5
173.04488	29.7
173.05869	1.5
174.04808	2.3
174.06770	2.3
175.07344	2.5
175.08710	27.0
179.03418	3.1
185.10777	1.9
187.07483	4.5
187.08728	5.0
189.06639	80.7
190.06978	5.2
191.05542	26.1
193.05016	2.3
197.42570	1.4
201.10327	9.6
202.06302	1.6
203.08240	33.6
203.11958	7.5
204.08495	2.2
213.09105	2.0
215.07079	2.4
229.09837	18.8
230.10017	1.8
231.10181	8.1
265.70828	1.5
275.09250	12.5
293.10355	5.8
305.11435	50.4
306.11746	3.7
323.12488	100.0
324.12790	9.7
335.07724	4.4
365.13513	5.8
449.14615	5.2
450.15018	1.9
467.15775	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	465.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01255	65.8
61.98712	2.2
62.56097	1.0
67.01760	1.0
69.55889	1.0
70.68404	1.8
71.01255	39.4
71.04904	1.6
72.99178	2.9
73.02833	4.1
75.00736	1.1
81.03360	1.2
83.01266	3.6
84.02058	1.2
85.02834	10.0
87.00784	3.0
87.04372	1.1
89.02319	39.2
93.03327	1.0
94.08045	1.0
95.01263	3.5
96.95885	1.2
97.02822	1.2
99.00768	2.6
99.04427	1.1
101.02325	26.2
101.05951	6.0
107.01302	2.0
108.02059	1.3
109.02859	5.0
111.00716	1.3
111.23634	1.1
113.02328	16.3
119.03397	20.4
121.02850	3.3
122.03622	4.4
123.00766	1.3
123.04451	14.5
123.08069	6.0
124.04743	4.3
125.02323	1.5
125.04906	1.9
125.05968	1.5
131.03398	3.1
133.02811	1.1
135.04407	5.6
136.01559	3.5
137.02339	4.7
137.04967	1.2
138.02756	1.1
138.06757	1.0
141.09116	16.3
143.03404	3.4
148.01553	1.7
148.11397	1.1
149.02364	6.4
150.03128	6.1
151.04007	7.1
152.04091	1.7
153.01805	2.5
153.04404	1.6
153.09151	1.7
159.02878	1.3
161.02361	2.3
161.04433	9.3
162.03183	2.4
163.03941	10.3
164.04253	3.1
165.01843	1.3
167.03410	5.6
167.10672	1.8
173.04312	1.2
175.03928	2.2
177.01808	3.3
178.02551	3.4
179.03302	2.2
179.05534	10.0
180.03172	1.7
181.04974	2.3
181.12296	3.6
182.02168	2.6
182.05307	1.5
183.02461	1.3
183.05449	1.3
185.08203	1.2
189.01930	2.6
190.02570	3.9
191.03473	2.8
191.05479	2.3
193.01306	2.0
193.04970	1.4
195.13701	1.7
205.01451	1.7
206.01787	1.4
209.04425	1.4
220.03624	1.6
221.04494	1.2
225.14799	2.5
243.15994	26.8
244.16255	1.9
256.07422	1.4
258.05344	2.0
258.08011	1.8
259.06158	1.2
271.09558	1.5
273.07614	11.6
274.07724	1.7
285.07635	3.4
285.12241	1.3
289.09875	2.3
300.09619	2.0
301.06943	1.3
302.07010	1.3
303.08517	1.8
315.08749	5.6
316.09134	4.5
317.09387	10.9
327.08630	3.7
329.09357	3.5
339.17752	1.5
343.08176	12.9
344.08508	11.7
345.09183	42.2
346.09476	4.2
347.10507	5.1
373.09192	3.3
374.09656	3.5
375.06207	1.4
375.10168	23.5
405.21301	100.0
406.21539	11.1
417.11288	1.4
447.12241	4.5
465.13458	15.0
465.19547	2.3
466.13049	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	466.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26958	0.5
57.00049	0.5
57.03316	1.0
59.01244	1.1
71.01260	1.0
87.00758	2.9
93.03349	1.8
94.06510	2.7
102.30111	0.5
105.25129	0.5
106.06510	2.8
107.03634	3.5
111.04429	0.6
122.06010	23.9
123.06366	1.3
124.07590	3.7
130.99742	0.6
132.04451	12.0
133.02855	0.7
133.05247	5.9
134.03639	2.1
134.06023	4.9
135.04445	1.1
135.06830	0.8
137.02336	0.9
139.02621	1.1
146.06021	2.2
148.04010	0.9
152.07077	47.4
153.07423	2.5
160.05009	0.5
164.03400	0.7
165.04228	7.8
166.04958	1.6
167.05724	1.0
173.04425	3.4
177.01860	1.6
178.02673	2.1
186.09123	0.8
188.08206	0.5
199.07564	0.7
201.09061	0.6
213.06667	1.0
214.12375	2.3
215.11943	3.1
223.08684	0.7
225.10388	0.6
226.07452	0.7
226.10071	0.5
226.12306	2.7
229.09923	1.2
239.08194	0.7
239.11772	3.0
241.09784	2.4
244.10768	0.9
253.09810	1.2
254.10612	1.1
255.11125	0.6
257.12952	20.7
258.13168	1.7
267.11435	1.6
269.12924	9.0
270.13470	1.3
272.13779	1.3
275.09192	1.1
279.11389	0.7
280.12164	0.8
283.10886	2.1
288.16956	0.6
293.10278	1.5
295.10733	0.6
297.12390	6.8
298.12939	3.6
299.13391	0.7
301.12000	1.5
302.12756	2.1
313.11633	0.8
316.16321	1.3
330.12204	3.5
386.16840	0.7
394.21625	1.9
404.19775	0.8
422.20914	8.7
423.21085	1.0
430.16583	0.7
438.20599	2.0
448.17871	3.8
466.19788	100.0
467.20181	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.7
59.01252	100.0
60.01585	0.7
61.98708	1.6
64.26465	0.6
69.52325	4.9
70.47009	0.6
71.01257	13.7
72.99201	0.8
73.02834	2.1
75.15900	0.7
83.01295	0.9
85.02823	4.5
87.00748	3.5
89.02319	8.0
93.03359	2.6
96.95926	0.9
97.63586	0.6
99.00781	2.0
101.02309	8.9
104.87375	0.7
108.02074	0.7
109.02825	1.7
113.02322	5.8
119.03397	4.0
121.02842	1.9
122.03674	2.2
123.00798	1.7
123.04410	3.4
125.02382	1.4
131.03471	0.8
135.04407	3.2
136.01503	1.0
137.02385	1.1
141.09131	1.3
143.03412	1.5
148.01613	2.7
149.00623	0.8
149.02339	3.9
150.03163	4.9
151.03894	2.2
153.01854	0.9
159.02852	0.9
161.02417	1.1
161.04485	7.7
162.03165	1.7
163.03935	3.0
167.03459	1.8
173.04541	1.2
175.03889	0.9
177.01991	0.8
179.05469	3.3
189.01984	1.1
190.02696	1.3
191.03510	0.9
191.05621	2.9
196.62994	0.7
220.03824	0.7
220.20891	0.6
229.08745	1.2
243.16005	5.0
243.33934	0.7
245.08334	1.0
247.09744	1.0
269.04630	1.4
273.07675	3.2
284.06985	1.0
285.12570	1.6
287.09384	1.4
291.08780	1.0
299.09286	1.0
300.06567	0.9
301.07129	1.8
311.05801	0.7
315.08746	12.7
316.09357	1.0
327.08704	8.5
328.09177	0.9
345.06259	1.8
345.09827	20.8
346.10400	2.3
357.09811	4.2
369.10327	0.7
372.56366	0.7
375.10788	6.0
405.21298	22.1
406.21844	3.1
423.15271	1.9
447.12573	1.2
465.15015	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	467.135
Annotation	Polycarpine
Peak:m/z	Relative Intensity
56.28706	0.6
59.01252	0.8
62.27209	0.5
68.99706	0.9
71.01247	0.7
71.53803	0.6
71.54171	0.6
103.05381	0.6
105.03331	0.7
119.04916	0.6
120.85342	0.5
121.02856	2.6
134.00014	1.6
145.02875	0.9
147.04384	0.7
148.01563	1.3
149.02336	2.1
160.26721	0.5
161.02368	2.0
161.99545	0.7
163.00356	1.3
163.03922	0.9
163.33318	0.5
173.02321	0.6
176.01082	1.0
177.01865	11.2
178.02351	0.9
185.02196	0.6
187.03835	0.6
191.03500	0.9
192.04187	1.2
203.03433	1.3
205.04968	0.9
207.06575	1.9
216.00600	1.5
229.01503	0.9
230.02177	1.2
231.02873	1.3
231.06606	1.6
235.07559	1.0
239.03497	0.8
259.05975	1.0
261.05368	0.6
263.03439	0.6
263.07123	1.3
265.05115	1.1
277.08551	0.7
278.05957	1.0
279.06573	1.0
281.04611	0.6
289.05206	0.8
290.05902	1.5
291.03494	0.6
291.06631	1.8
294.08740	0.6
302.05951	0.8
305.04443	1.1
305.07932	0.7
306.05283	1.3
307.06198	1.5
317.04614	1.1
318.05377	0.8
319.06110	1.5
320.07019	0.7
321.07727	1.1
322.08435	1.0
333.04025	1.8
333.07675	1.0
334.04791	1.3
335.05521	1.9
337.07309	0.9
343.04584	1.7
347.05545	0.8
348.06445	0.9
349.06958	1.7
350.07947	1.7
361.07230	0.8
362.04147	0.8
363.04877	0.8
363.08765	0.9
364.09393	0.8
365.10168	2.0
373.08850	1.0
377.06613	2.2
378.07263	1.5
381.09821	3.0
383.11414	0.8
393.09827	6.5
395.07272	0.8
409.09305	4.5
424.10883	0.7
437.08768	24.2
438.03839	0.7
438.09033	3.7
439.14310	1.0
451.10449	2.0
452.11072	3.4
467.13467	100.0
468.13806	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39094	3.7
59.01253	100.0
65.75216	2.9
71.01257	9.0
71.53207	4.0
81.01502	2.9
86.87543	2.8
89.02334	16.6
107.38045	3.2
113.02327	3.3
116.33554	3.2
117.80929	3.3
119.03373	6.0
121.86860	3.0
123.00781	3.0
123.04353	5.0
125.02325	12.5
125.53837	3.0
151.03918	5.3
165.01859	3.3
166.02563	4.8
167.03394	16.5
175.03964	4.1
175.49153	2.8
204.07996	3.1
269.88327	3.0
301.06894	3.3
327.05164	4.1
333.58875	3.2
345.06085	34.2
346.06351	5.6
375.07336	7.8
376.06546	3.5
410.24039	3.2
462.78314	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.0
58.00448	1.2
59.01252	100.0
61.98721	1.5
64.11610	1.2
69.77985	6.1
71.01257	31.5
72.99167	2.8
73.02811	3.4
76.73823	1.2
81.03358	1.4
83.01258	2.3
85.02842	6.7
85.13783	1.3
87.00751	2.5
89.02319	30.7
92.11379	1.2
93.03302	1.8
95.01240	3.5
95.04900	1.2
96.95896	21.8
99.00777	2.3
99.04433	1.9
101.02322	14.6
109.02813	3.4
113.02343	12.9
119.03387	12.7
121.02850	1.5
121.70164	1.2
123.04381	2.5
124.01549	1.4
125.02331	7.0
135.04372	1.7
137.02309	1.7
141.09100	1.9
143.03453	2.0
148.01582	1.4
149.02313	2.9
149.04366	1.7
149.09642	7.0
150.03113	3.3
151.00330	1.4
153.01791	2.6
161.04475	6.6
165.01849	1.7
167.03394	3.5
167.10696	15.2
175.03935	1.7
177.01854	2.7
179.05559	7.0
189.05508	1.4
191.05493	2.7
193.01277	1.1
201.35385	1.3
203.03522	1.4
217.04858	1.2
225.14886	1.5
243.15968	6.3
257.07675	1.3
285.03995	5.3
303.05087	3.9
315.08765	3.3
327.05170	1.3
327.08743	3.7
340.55484	1.2
345.06064	5.0
345.09805	5.1
357.10129	1.4
375.07083	1.8
405.21320	33.0
406.21567	3.8
423.15231	2.5
442.66986	1.4
465.10309	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	465.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73505	0.5
55.03017	0.5
57.03325	0.8
59.01280	0.6
59.88570	0.5
64.72930	0.5
75.47691	0.5
87.00753	100.0
88.01089	1.2
93.99296	0.6
97.06455	0.8
101.02325	1.0
101.79818	0.6
117.94813	0.5
121.02843	1.3
122.03642	3.9
130.99763	54.8
137.02315	1.7
139.03900	0.7
147.04393	2.3
148.05186	1.3
164.04648	0.8
173.06004	6.4
174.06755	1.3
175.07561	1.7
186.06721	0.6
187.03879	0.7
187.07584	1.4
189.05489	0.8
189.09117	0.9
192.04182	1.1
199.03983	0.9
200.08327	0.7
201.09131	1.2
202.06462	0.7
203.07065	0.8
211.13287	2.0
214.06276	0.6
215.07083	1.5
217.08621	3.0
218.09413	4.0
219.10022	1.2
225.09137	0.8
227.07011	1.8
228.07860	3.6
229.08646	2.2
243.06602	1.0
243.10199	1.6
254.04315	42.7
255.04636	2.9
297.14908	1.3
315.16071	2.4
341.13889	1.1
343.15378	0.9
387.14377	2.2
405.15662	0.7
447.16608	9.3
448.16992	1.5
465.17651	34.6
466.13541	0.5
466.18140	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	465.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63596	0.6
57.03305	0.8
58.85877	0.6
59.01255	1.1
61.29798	0.7
68.46077	0.6
68.99678	0.7
69.03331	0.8
69.45172	4.6
69.45565	1.6
79.05377	0.7
87.00752	40.5
88.01025	0.7
91.05412	2.7
93.03337	1.7
93.45956	0.6
95.04911	1.4
97.06486	1.1
101.02332	0.8
103.05426	1.3
105.03344	4.3
108.02014	1.5
119.04912	3.9
121.02845	11.5
122.03635	22.8
123.04458	1.3
124.01575	0.9
130.99762	13.0
131.04861	0.8
135.04445	1.2
137.02351	6.6
139.03886	1.8
142.34918	0.7
145.02875	1.0
146.03607	2.3
147.04425	37.9
148.05223	8.1
149.02365	3.4
149.05916	2.3
154.02597	1.5
158.03630	1.1
159.04391	0.9
162.03181	1.1
163.03905	6.7
164.04691	3.3
171.04431	0.7
172.05193	1.6
173.05995	6.9
174.06732	1.9
175.07495	2.2
183.13846	3.6
186.06744	0.9
187.04012	1.2
187.07539	1.5
188.04652	1.3
189.09140	1.9
189.57993	0.8
190.06212	0.8
191.03406	3.3
192.04187	5.6
193.04996	1.1
194.02110	4.6
197.06029	0.9
199.03931	1.2
199.07561	1.5
200.04771	0.7
200.08260	0.9
201.09145	1.2
203.07042	1.5
211.13347	31.5
212.13715	2.6
214.06276	0.9
215.07057	2.1
217.01476	1.0
217.08586	2.6
218.02138	7.4
218.09413	3.3
219.10220	1.0
227.07056	1.5
228.07800	3.1
229.08548	1.6
243.06691	1.7
243.10274	2.0
245.08130	0.8
254.04298	16.7
255.04645	1.5
287.16641	2.7
305.17264	0.9
315.15952	2.2
323.16571	0.9
325.14462	0.9
333.16995	1.9
335.41965	0.8
341.13925	0.8
341.17709	2.0
353.46109	0.7
359.14743	0.9
359.18665	1.3
385.16592	1.1
387.14587	1.8
403.17599	2.7
405.15768	4.4
429.15399	2.8
447.16541	18.1
447.22684	1.0
448.17044	2.6
465.17630	100.0
466.18048	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	465.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.2
57.10208	1.2
68.65470	0.8
69.27023	8.8
69.27374	1.5
69.58431	0.9
73.02798	1.4
79.05400	1.1
87.00753	100.0
91.05402	2.9
93.03304	1.6
95.04896	2.1
97.06467	2.6
101.02323	2.4
103.05400	1.4
105.03344	2.9
108.02007	1.3
115.81021	1.0
119.04906	3.8
119.25032	1.1
121.02841	11.8
122.02824	1.6
122.03640	25.0
123.04377	1.6
124.01512	1.1
130.99759	49.0
135.04405	2.0
136.01654	1.1
137.02374	5.4
139.03940	2.1
145.02867	1.7
145.06514	2.1
146.03603	3.0
147.03288	1.9
147.04416	27.5
148.05205	7.1
149.02362	3.5
149.05925	1.5
154.02638	2.4
158.03622	2.6
159.04356	1.1
159.08101	1.1
162.03064	1.1
162.06682	1.0
163.03955	5.3
164.04666	3.9
165.05363	1.2
172.05154	1.3
173.05989	13.5
174.06743	3.0
175.03722	1.1
175.07486	1.7
183.13789	3.4
187.07535	3.4
188.04802	1.4
189.05432	1.9
189.09166	1.8
191.03419	4.4
192.04250	5.6
193.93123	0.9
194.02164	3.2
199.03938	2.0
199.07498	2.8
200.04733	1.3
200.08270	1.3
201.09174	2.3
202.06291	1.7
203.07076	3.7
203.19966	1.0
211.13348	29.5
212.13744	1.7
214.06393	1.4
215.07068	3.5
216.07965	1.1
217.08630	5.6
218.02132	8.2
218.09360	7.3
219.10086	1.9
227.07117	2.8
228.07878	4.6
229.08646	2.9
242.12929	1.0
243.06575	1.8
243.10214	3.3
244.10892	1.4
254.04306	45.4
255.04628	3.5
271.13449	1.4
287.09219	1.1
287.16464	1.3
301.00781	1.6
315.15991	3.2
333.17111	1.4
341.13806	1.1
341.17612	1.6
359.18680	2.1
361.16885	1.2
385.16580	1.5
387.14362	3.0
403.17612	2.1
405.15579	4.0
406.15631	1.0
429.15530	2.1
447.16562	20.6
448.17090	2.8
453.09985	1.1
465.17627	99.8
466.17966	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	465.1779
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
57.03319	1.0
67.45579	0.8
69.03325	1.0
70.83633	2.7
71.01236	0.9
83.92492	0.8
87.00757	27.7
101.02370	1.3
102.65185	1.0
122.03654	2.4
130.99754	6.4
146.03622	4.9
147.04391	4.2
148.05133	1.1
149.05930	1.1
159.04390	2.3
160.05185	1.4
162.06804	1.1
165.85072	1.0
172.05183	3.9
173.05984	3.9
174.03146	2.2
174.06709	1.9
175.03929	3.7
175.07587	1.4
185.05891	2.3
186.06766	4.1
187.03911	1.9
187.07460	1.8
188.04739	1.7
189.05464	3.0
190.02351	1.0
190.06248	7.9
191.07050	1.6
200.04723	6.2
200.08389	2.2
201.05299	1.5
201.09050	1.6
203.07034	1.4
211.13358	4.5
214.06326	1.8
215.06949	2.0
217.08580	2.3
228.07822	2.2
229.08643	1.1
234.08960	1.0
243.10326	1.4
254.04349	3.2
271.13403	9.7
272.13626	1.2
287.16705	1.4
289.14465	3.3
297.15015	6.1
299.12897	4.2
300.13470	1.8
301.14365	1.4
315.15964	15.8
317.14029	2.6
323.16464	3.3
325.14423	11.3
331.15588	1.3
333.17096	3.6
341.17606	4.0
343.15417	12.3
344.15652	2.3
357.17191	1.9
359.14722	1.5
359.18689	2.1
361.16565	4.6
367.15659	1.2
375.18298	2.3
385.16711	4.7
387.14539	6.0
403.17517	2.3
405.15515	3.2
411.13867	1.1
429.15518	3.7
447.16669	18.2
448.16806	2.4
465.17624	100.0
466.17896	14.6
486.05850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1765
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
50.50686	0.7
51.01624	0.8
53.45567	0.8
59.01255	0.9
67.19133	0.9
69.19568	9.1
69.19887	0.8
78.87872	0.9
87.00753	100.0
88.01093	2.3
95.28848	0.8
104.19297	0.8
122.03642	1.7
130.99771	52.0
146.03719	1.0
147.04416	2.0
166.10109	0.9
170.06230	1.1
172.05185	1.0
173.06044	4.3
174.06731	0.9
175.07562	2.5
189.09077	1.1
199.07631	1.8
203.07077	1.2
215.07079	1.6
217.08707	2.4
218.09404	3.4
219.10066	1.2
227.07153	1.0
228.07849	2.4
229.08633	1.4
243.10158	2.1
254.04305	43.8
255.04747	2.5
287.16483	1.7
297.15082	1.9
315.15930	2.6
343.15451	0.9
387.14429	3.1
405.15646	1.0
447.16580	11.1
448.16528	1.0
454.37424	0.9
465.17642	38.9
466.17969	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.5
61.98712	2.0
70.83011	2.2
71.01265	8.1
72.99164	1.3
73.02824	3.1
75.00734	5.3
81.03320	4.0
83.01242	1.7
85.02826	3.1
87.00751	4.8
89.02311	4.9
93.03336	2.3
93.61472	1.1
95.01258	3.2
99.00783	1.3
101.02335	4.9
103.31239	1.2
106.54180	1.1
107.04890	1.1
108.02036	3.2
109.02876	9.1
113.02344	3.5
115.00252	1.4
119.03378	1.6
119.04890	1.0
121.02833	9.6
122.03619	15.9
123.00686	1.1
123.04418	31.9
124.04760	1.2
125.02371	2.8
133.01280	1.5
135.04414	14.3
136.05186	3.8
137.02380	7.2
137.05986	8.2
141.01868	1.1
145.02831	1.7
148.01581	1.8
149.02365	5.4
149.06017	1.8
150.03125	5.8
151.03918	27.3
154.02643	1.7
160.01537	2.5
161.02357	11.6
161.04437	1.8
162.01773	1.2
162.03134	23.2
163.03943	19.4
164.04668	1.9
165.01810	2.3
165.05449	2.0
167.03471	1.8
173.02306	1.4
173.04462	2.4
174.03131	2.2
175.03888	6.3
178.02576	2.7
179.03412	4.9
180.04114	1.2
181.04974	8.0
189.01849	8.3
190.02634	31.2
191.03291	5.1
191.05473	2.4
192.04187	1.5
193.04884	4.1
200.04678	1.2
202.02689	1.6
207.02983	1.5
208.03703	2.1
209.04485	2.3
212.03680	1.1
214.24127	1.2
220.03702	18.2
221.04405	1.4
233.04626	1.1
244.07379	4.2
259.06305	1.0
259.06808	1.3
259.09738	14.9
271.09689	1.4
273.11307	2.9
274.35614	1.2
284.06860	1.7
285.07669	4.8
289.14188	1.1
291.08636	1.6
301.07101	2.1
301.10809	3.4
303.08795	4.9
312.06393	4.3
313.10693	2.1
327.08704	10.3
335.58368	1.1
342.07935	1.4
345.06320	4.2
345.09766	100.0
346.10059	12.2
357.09918	5.2
375.10861	38.4
376.11169	4.7
387.10556	1.8
405.21155	2.1
417.11768	1.4
447.12784	4.1
465.14041	29.3
465.26962	3.3
466.14014	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	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67406	1.4
59.01255	100.0
61.98694	2.5
71.01257	47.4
71.04879	7.6
71.39581	3.2
72.99192	1.8
73.02814	14.1
83.01264	4.1
85.02833	13.7
85.49805	1.6
87.00758	3.8
89.02322	12.3
93.50808	1.9
95.01280	2.8
96.95908	3.1
97.02823	2.7
99.00762	15.8
101.02319	20.8
113.02346	25.6
125.02338	5.9
129.05513	2.7
143.03384	3.2
147.06551	5.7
159.02863	3.0
159.81432	1.4
161.04483	31.5
169.69530	1.7
179.05574	2.2
191.05460	2.7
203.05539	8.8
273.09955	3.7
291.10880	5.3
327.08722	2.1
333.11841	8.3
375.06705	2.1
405.14066	1.8
405.21310	5.5
423.15079	68.3
424.15393	5.8
465.16147	58.7
466.16290	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	465.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31715	0.4
59.01236	0.4
59.25063	0.4
67.01746	0.7
68.37928	0.3
71.01254	0.7
71.10183	0.6
71.10527	0.3
79.05385	0.7
79.27341	0.3
91.05392	0.5
93.03313	0.6
95.01264	0.5
107.04883	0.4
108.02045	1.8
109.02836	2.6
119.04909	1.3
121.02853	2.7
122.03633	8.8
123.04416	16.5
124.01542	0.3
124.04740	0.4
134.03625	1.0
135.04410	13.5
136.01570	0.7
136.05219	3.0
137.02361	2.1
137.05971	2.8
145.02898	0.5
147.04384	1.3
148.00502	0.5
148.01569	5.8
148.05205	0.4
149.02374	3.7
149.05939	0.6
150.03122	4.6
151.03912	9.1
154.02614	0.6
159.04372	0.8
160.01579	0.5
161.01083	0.6
161.02350	8.6
162.03133	19.9
163.03922	18.4
164.04640	1.9
165.01839	1.3
165.05484	2.6
166.02609	0.8
167.03384	1.4
174.03119	1.4
175.03896	2.1
176.04671	0.9
177.05499	0.9
178.02588	1.7
179.03387	2.8
181.04993	3.3
182.02039	0.4
189.01862	4.8
190.02638	18.7
191.03416	17.3
192.03804	1.8
193.04965	3.6
194.02100	0.6
194.05614	0.5
197.72757	0.3
201.01938	0.4
202.02623	1.2
203.03439	2.6
204.04245	0.7
205.04869	0.4
207.02878	1.6
208.03627	1.3
209.04469	8.1
210.04834	0.5
220.03711	11.4
221.02353	0.7
221.04474	10.3
232.03680	0.9
233.04454	0.6
238.04761	0.7
239.05550	3.1
240.05930	0.4
256.07385	1.6
259.09818	0.5
271.09732	0.7
273.11328	1.6
284.06830	0.6
285.07684	0.6
285.11282	0.5
299.09293	2.0
301.10760	2.3
303.08774	0.7
311.09286	0.3
312.06540	0.6
313.10760	1.3
327.04852	0.7
327.08713	9.6
328.09167	0.8
329.10251	1.7
330.10971	0.6
331.11850	0.4
339.08752	1.0
342.07367	0.4
345.09766	100.0
346.10110	12.4
357.09814	5.7
358.09946	0.6
369.09872	0.5
375.10831	46.9
376.11145	6.0
387.10794	3.2
405.11725	0.8
411.10812	0.4
417.11844	1.2
429.11905	1.7
447.12784	3.9
448.13220	0.6
465.14072	7.9
466.14282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39573	0.7
57.03324	0.7
58.40674	0.8
59.01256	17.3
61.98400	1.1
61.98700	7.2
69.66408	5.2
71.01259	12.9
72.99175	0.8
73.02815	2.2
75.00766	0.8
83.01262	1.8
85.02819	5.8
87.00739	2.0
89.02324	4.2
93.03349	1.7
95.01276	1.9
96.95887	2.3
97.42480	0.8
98.19878	1.3
99.00761	2.0
99.98976	0.8
101.02339	7.2
107.01292	1.0
107.04909	0.8
108.02097	1.9
109.02864	5.4
109.94195	0.8
111.00755	1.0
111.70148	0.7
111.88165	0.8
113.02319	5.0
114.17677	0.7
119.03408	1.7
119.04932	1.7
121.02843	3.2
122.03632	7.8
123.00749	1.1
123.04413	17.7
124.01592	1.3
125.02316	1.9
130.72778	0.9
133.35370	0.8
134.03621	1.3
135.00775	1.7
135.04427	15.1
136.01559	3.1
136.05171	3.4
137.02354	4.1
137.05972	2.6
141.09145	2.2
147.04411	2.0
148.01556	7.7
149.02364	4.9
149.06056	0.8
150.03149	5.8
151.03941	12.3
153.01834	1.2
154.02625	1.1
161.02376	8.0
161.04468	11.9
162.03148	17.7
163.03934	22.7
163.88060	0.9
164.04604	2.4
165.01855	2.3
165.05533	2.9
167.03389	3.1
173.04510	0.8
173.56984	0.8
174.03175	1.0
175.03903	2.5
176.04681	1.1
178.02667	1.5
179.03372	2.3
181.03548	0.7
181.04889	4.5
189.01895	6.9
190.02652	25.2
191.03455	22.8
191.05470	3.3
191.07045	1.1
192.04121	1.8
193.04990	3.3
203.03430	3.2
204.04114	1.8
207.02902	2.4
208.03648	1.0
209.04488	12.6
220.03743	15.2
221.04475	12.2
232.03677	1.4
233.04459	1.3
238.04836	1.1
239.05574	2.9
243.15982	11.2
255.03098	1.0
256.07443	1.4
257.07700	1.0
258.05328	1.4
273.07693	18.3
273.11273	2.5
285.07724	4.6
295.05853	0.9
299.09259	2.7
301.10876	2.2
303.08795	1.1
313.10895	1.5
327.08734	11.3
328.09140	1.4
329.10165	3.0
339.08572	1.3
345.09787	100.0
346.10120	13.3
357.09802	5.5
375.10846	44.3
376.11255	5.3
387.10782	1.9
405.21329	19.7
406.21600	2.7
417.11652	1.1
435.13058	1.1
447.12997	6.6
448.13928	0.8
465.14282	7.8
465.19550	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	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.5
59.01255	12.2
65.00205	2.7
69.03316	3.3
71.01262	2.7
81.03342	10.8
83.01269	4.7
85.02819	3.7
87.00756	1.5
89.02348	2.3
93.03329	2.8
95.01264	2.9
95.04894	5.6
97.02850	11.2
99.04388	10.1
100.31937	1.5
101.02335	1.9
107.01287	3.6
108.81329	1.6
109.02849	8.3
111.00762	2.8
111.04430	1.9
113.02292	3.4
121.02836	5.0
123.04420	12.6
125.01456	2.5
125.02335	41.0
134.26053	1.5
135.04413	4.2
137.02328	14.0
139.03899	6.1
147.04492	2.5
149.02359	11.3
150.03125	4.6
151.00285	6.4
151.03900	7.8
153.01840	4.9
155.03400	2.0
161.02315	2.6
161.06107	1.5
163.00220	1.7
163.03899	2.0
165.01840	10.1
166.02579	10.0
167.03409	40.8
168.03728	3.6
173.02298	1.9
174.03082	2.7
175.03909	11.9
177.01845	7.9
178.02170	1.9
178.99846	2.3
179.03401	2.7
188.44899	1.7
189.05501	4.0
191.01698	1.5
191.03392	4.8
193.01332	8.6
193.04994	1.8
195.02960	3.1
197.04478	7.2
197.60722	1.5
199.03964	2.5
201.01886	2.8
217.05020	7.0
221.00867	6.1
223.02431	4.6
259.06201	2.6
275.05704	1.5
285.04211	3.1
301.07321	2.5
317.06531	10.4
325.71701	1.8
327.04944	19.1
345.06113	100.0
346.06546	11.1
347.07742	3.3
357.06161	2.5
375.07202	30.1
376.07602	3.6
387.07388	2.4
423.14838	2.5
447.09058	3.4
465.10199	6.2
465.16019	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
59.67080	0.8
69.60151	5.4
72.99179	1.4
88.79946	0.8
93.03342	0.9
95.01263	1.8
108.02068	1.4
109.02844	2.3
112.51642	0.8
121.02842	4.1
122.03609	3.0
123.04408	15.3
130.29556	1.0
135.04427	1.5
137.02272	0.8
144.48416	0.8
147.04390	1.2
149.02344	21.4
150.02731	1.0
151.03905	12.2
160.05219	0.9
162.03181	1.0
163.03906	4.1
173.05977	2.3
174.03137	1.4
175.03915	2.1
179.03372	1.2
181.04897	1.2
185.05988	1.7
186.06760	1.8
189.05502	2.2
197.06029	1.2
199.07582	1.8
201.02040	1.0
201.05542	2.1
209.09589	0.8
212.04659	2.9
213.05493	3.0
216.04289	1.1
217.05022	1.8
225.05664	1.4
226.06180	1.3
227.03520	1.0
227.07074	2.8
228.04163	3.3
229.04951	2.8
230.05821	15.0
230.07973	1.6
231.06462	1.9
240.04340	1.8
242.05661	1.6
243.06567	1.1
245.08211	12.3
255.06516	2.0
256.03610	1.1
257.04456	3.0
257.08167	1.8
258.05328	3.7
259.06000	3.4
270.05276	1.7
271.06079	6.3
273.07730	6.4
283.06100	2.2
285.07709	1.4
301.07162	100.0
302.07495	10.1
313.07199	4.6
327.05420	0.9
331.08218	22.4
332.08566	2.5
343.08209	2.4
345.06097	20.4
346.06564	1.6
375.07184	2.6
391.10233	1.7
421.11426	8.0
447.09180	1.1
464.69089	1.0
465.10318	22.5
466.10858	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	465.1038
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
52.57586	3.1
57.03318	8.8
59.01252	72.6
63.65508	3.4
65.00189	4.1
66.99673	3.1
67.01797	3.4
69.03342	4.7
71.01253	23.4
73.02820	6.1
74.67987	3.0
81.03335	11.7
83.01260	12.4
85.02824	13.0
87.00765	6.5
89.02311	12.2
93.03325	7.0
95.01263	5.3
95.04902	8.9
96.95890	5.3
97.02839	8.4
98.20553	7.0
99.00769	3.9
99.04385	6.8
101.02310	12.7
104.74837	3.5
107.01266	7.6
109.02780	15.4
113.02351	5.2
119.03385	3.3
121.02829	5.4
123.04444	22.7
125.02341	87.6
126.02634	2.9
135.04332	6.4
137.02328	18.1
138.03040	3.1
139.03865	8.2
146.48326	3.1
147.04500	3.7
149.02313	20.0
150.03065	7.5
151.00301	20.4
151.03926	21.5
153.01840	14.0
155.03305	4.2
161.02344	6.1
161.04475	8.4
163.03978	5.7
165.01808	18.9
165.05528	3.3
166.02585	11.7
166.59811	3.1
167.03401	54.0
175.03934	20.8
177.00467	3.0
177.01825	20.6
178.99744	7.4
179.03387	6.3
181.01355	3.4
189.05511	8.9
190.02748	5.3
191.05522	6.8
193.01358	7.3
195.02895	5.5
197.04422	7.6
199.03903	5.6
199.27927	3.4
201.01759	5.0
217.05002	13.5
219.02876	3.9
221.00752	5.2
223.02356	5.9
227.07001	4.4
241.05045	3.3
243.16147	6.8
275.05560	3.7
285.04092	42.7
299.05905	4.2
301.07306	4.4
303.05112	38.5
304.05411	4.6
317.06680	9.9
327.05313	16.8
327.08493	5.2
345.06152	100.0
345.10159	8.4
346.06454	11.0
347.07721	4.5
357.06061	5.0
375.07104	32.5
376.07492	4.3
405.21164	17.6
406.21631	5.2
423.14951	10.6
465.09985	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	465.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.9
59.01249	7.4
65.00202	2.3
67.01778	1.7
67.23657	1.0
68.99680	1.1
69.03328	4.0
70.67645	1.0
70.67975	2.5
71.01251	2.8
79.01764	1.2
81.03336	18.4
83.01250	8.4
92.96696	1.1
93.03337	4.0
95.01254	3.6
95.04893	8.0
97.02823	13.9
99.00799	1.7
99.04375	12.2
107.01257	4.9
107.04913	1.5
108.02069	2.0
109.02846	10.4
109.99982	2.1
111.00736	2.0
111.04423	3.4
113.02374	1.7
121.02067	1.1
121.02840	7.1
123.00742	2.1
123.04424	21.5
124.01576	1.7
125.02335	59.6
126.02695	3.1
133.02808	1.8
135.04427	4.0
137.02338	18.4
138.03079	3.2
139.03934	8.6
145.02802	1.4
147.04428	4.8
149.02362	16.7
150.03114	8.6
151.00273	6.7
151.03914	14.2
152.01016	2.3
153.01831	6.5
155.03415	2.3
161.02332	4.5
162.03178	1.4
163.00294	3.0
163.03926	2.9
164.00987	2.4
165.01872	16.8
165.05449	1.7
166.02663	12.7
167.03412	72.2
168.03741	4.3
171.04419	2.2
173.02255	1.5
174.03076	2.9
175.03917	20.1
176.04323	1.9
177.01828	11.8
178.99762	3.7
179.03394	4.2
181.01256	2.3
187.04004	1.7
188.04703	2.0
189.05470	6.9
190.02666	2.4
191.03476	9.7
193.01387	9.7
193.05014	3.8
194.02020	4.2
195.02892	5.8
197.04475	11.5
199.03975	2.1
201.01920	4.7
205.01317	3.4
207.02940	1.8
209.04361	1.4
213.05544	1.4
217.04988	6.3
219.02910	3.1
221.00830	8.8
223.02408	10.5
231.06653	2.3
241.04941	3.5
251.01880	2.3
253.03404	1.3
255.06450	2.6
259.06042	3.0
275.05560	1.7
283.06082	2.4
285.04010	5.8
297.03751	1.3
301.07092	1.7
303.05045	1.3
317.06616	13.1
327.05078	20.3
337.07684	1.2
345.06149	100.0
346.06494	9.6
347.07767	4.6
357.06192	5.3
375.07187	30.2
376.07687	3.4
387.07196	1.5
447.09341	3.0
460.79456	1.1
465.10144	4.4
485.17087	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	465.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.9
59.01247	10.4
65.24748	1.1
67.01785	1.5
69.03307	1.5
71.01242	5.3
71.04900	2.0
71.09531	1.6
72.99184	2.8
73.02816	1.8
81.03328	6.6
83.01261	4.5
84.56425	0.9
85.02808	2.9
87.00746	2.0
89.02319	1.8
93.03327	2.8
95.01254	5.0
95.04903	4.0
97.02833	5.0
99.00768	3.0
99.04398	5.4
101.02322	2.3
107.01272	1.7
107.04906	1.2
108.02044	3.2
109.02847	7.5
109.67713	0.9
111.00748	1.4
111.04359	1.6
113.02334	3.1
121.02848	8.8
122.02364	1.5
122.02743	1.0
122.03620	9.9
123.00793	1.1
123.03543	2.0
123.04409	33.1
124.04749	1.5
125.02332	25.9
126.02703	1.3
128.00974	1.0
129.35222	1.0
133.02881	1.2
135.04375	4.3
137.02344	8.4
138.03004	1.1
139.03847	3.1
143.04926	1.1
146.03641	1.7
147.04402	2.6
148.01517	1.5
149.02342	41.3
150.02971	3.9
151.00285	3.3
151.03918	23.2
152.00993	1.2
152.04236	1.6
153.01845	2.9
155.03516	1.3
159.04463	2.4
161.02371	1.6
161.04507	2.1
161.05945	2.5
162.03104	2.0
163.03899	10.0
165.01842	8.3
165.05469	1.8
166.02632	6.2
167.03412	34.5
168.03731	1.0
171.04416	1.1
172.05147	1.1
173.05930	3.1
174.03123	3.8
175.03931	14.7
176.04271	1.4
177.01869	6.7
178.99756	0.9
179.03413	3.9
181.01414	1.5
181.04948	3.1
185.05978	2.2
186.06758	2.3
187.03888	1.5
188.04655	1.5
189.05455	5.5
190.02586	1.2
191.03391	4.5
191.05592	1.0
193.01337	4.7
193.05014	2.4
194.02007	2.5
195.02928	2.4
197.04453	6.9
197.06021	1.8
199.03888	2.3
199.07498	4.3
201.01822	4.8
201.05464	4.3
203.03333	1.2
205.01205	1.6
209.04442	1.5
211.03857	1.5
211.07515	1.5
212.04710	5.1
213.05467	5.2
215.03474	1.5
215.07014	1.5
215.52173	0.9
216.04205	2.4
217.04964	6.1
217.08624	2.3
217.84550	1.0
219.02917	2.6
221.00841	4.3
223.02394	4.0
225.05641	2.3
226.06427	1.5
227.03401	2.1
227.07086	5.5
228.04193	3.5
229.05058	4.7
229.08553	1.4
230.05824	19.7
231.06509	4.4
237.05467	1.2
239.07066	2.2
240.04138	1.8
241.04993	3.9
242.05760	1.9
243.03006	1.2
243.06529	2.7
244.07481	1.1
245.08151	24.3
246.08446	1.7
255.06590	3.9
256.03598	1.9
257.04559	4.8
257.08115	3.6
258.05283	7.9
259.06100	5.8
269.04608	1.8
270.05191	1.7
271.06113	8.7
273.07663	10.8
274.07822	1.6
275.05734	1.1
283.06058	4.9
285.04120	2.4
285.07648	3.0
297.03928	1.4
301.07159	100.0
302.07455	10.1
303.05124	1.1
313.07214	6.7
317.06680	6.9
327.05096	8.3
328.05383	1.3
331.04385	1.9
331.08200	21.5
332.08475	2.7
343.08215	2.4
345.06122	59.4
346.06567	5.7
347.07690	2.5
357.06152	2.2
375.07129	16.0
376.07819	1.7
387.06998	1.1
391.10245	1.0
397.35947	1.0
421.11551	5.5
423.15048	3.6
447.09152	1.4
465.10364	17.8
465.16104	2.2
466.10590	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3065
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
57.03318	0.3
58.73093	0.3
59.01253	29.2
59.78875	0.3
69.03318	0.7
71.01237	0.6
71.24187	0.4
78.95789	1.5
88.09244	0.3
90.66462	0.3
113.99189	0.3
149.06003	0.3
152.99495	1.4
155.84296	0.3
160.02722	0.3
171.10236	0.3
202.60765	0.3
227.03336	0.4
271.02512	0.9
300.02713	0.8
301.03473	0.9
313.25296	2.8
323.09952	0.5
325.25409	0.4
329.28384	0.9
341.28448	1.0
345.09442	0.4
357.31619	9.3
358.31870	1.3
375.32648	4.1
376.32996	0.3
401.30597	24.7
402.30884	3.7
419.31702	3.9
420.32089	0.7
445.29773	0.9
463.30643	100.0
464.09619	0.4
464.30963	17.7
477.81653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66309	0.3
57.03321	0.7
59.01254	2.3
62.27431	0.3
62.49248	0.3
71.01241	0.6
78.95774	6.5
85.38876	0.3
87.00753	0.8
97.06490	0.5
97.58128	0.3
98.20585	1.2
110.98415	6.2
112.26005	0.3
113.09611	2.2
136.07570	0.3
167.01068	2.6
179.14348	1.2
185.02144	5.2
195.13843	15.2
196.14163	1.1
209.11765	0.4
251.23955	0.3
271.02551	0.6
277.21732	14.4
278.22052	1.5
295.22781	100.0
296.23154	10.5
296.25842	0.2
300.02911	0.8
343.08316	0.4
463.09439	0.5
463.24646	16.3
464.25116	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	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45309	0.5
57.03320	0.9
58.43001	0.6
59.01252	4.7
61.98700	0.7
65.97798	0.7
69.22202	0.6
71.20015	0.8
71.20356	0.7
74.18957	0.6
78.95776	25.5
83.04912	0.7
87.00783	2.2
104.97365	0.8
110.98407	17.9
110.99133	0.9
113.09637	2.2
121.02921	0.8
122.42538	0.6
135.04417	0.7
136.83585	0.7
142.97188	0.6
152.99503	1.0
161.02417	0.5
167.01060	16.7
167.02449	0.9
171.10193	3.8
179.14305	1.5
181.12234	0.7
185.02126	5.2
194.98727	4.8
195.13837	18.7
196.14290	1.2
209.11830	0.7
234.66512	0.6
255.02951	1.5
271.02374	3.8
277.21710	21.4
278.22070	1.7
293.21075	1.0
294.21445	0.9
295.22769	100.0
296.23157	12.4
300.02734	3.6
301.03650	2.0
303.32663	0.6
338.92682	0.6
362.18982	0.6
398.43539	0.6
463.10458	3.7
463.24606	44.3
464.24908	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
56.61156	0.3
57.03310	0.9
59.01254	10.0
60.01578	0.3
61.67069	0.3
68.99684	0.4
69.03325	0.6
71.01259	7.4
71.04886	0.9
71.33735	0.5
72.99181	1.1
73.02822	2.1
75.00766	0.6
80.02551	0.8
81.03336	1.4
83.01246	1.0
83.04899	4.6
84.02032	0.6
85.02355	0.3
85.02821	3.2
87.00754	17.5
88.01110	0.4
89.02323	3.7
93.03345	1.8
95.01264	0.6
95.04910	0.8
97.02847	0.7
97.06451	0.8
99.00760	1.4
99.04381	0.5
101.02325	5.3
105.03349	0.4
107.01270	0.5
107.04903	0.5
108.02036	1.0
109.02797	1.4
111.00764	1.0
113.02329	3.3
119.03384	0.9
119.04906	1.2
121.02843	2.8
121.06461	0.3
122.03610	0.9
123.04433	1.7
124.01530	0.3
125.02322	1.1
125.05973	0.8
128.01042	0.5
128.09996	0.3
129.06961	0.2
130.99779	4.1
131.03345	0.4
133.02834	0.4
134.03688	0.3
135.04411	1.5
135.08054	0.6
136.01559	0.3
137.02336	1.7
137.05983	0.3
139.03911	0.4
143.03517	0.3
145.02867	0.6
146.03601	0.8
147.04417	4.1
148.01564	0.5
148.05183	0.8
149.02383	1.3
149.05991	4.7
150.03070	0.7
150.06438	0.3
151.00284	1.2
151.03880	0.4
152.01073	0.4
153.01842	0.5
159.04442	2.2
160.05208	1.2
161.02414	1.6
161.04471	2.8
161.05971	1.3
162.03070	0.3
162.04852	0.4
163.03944	5.6
163.11217	2.6
164.04697	2.6
165.01846	0.5
165.05515	1.5
165.12743	2.5
171.04413	0.6
172.05240	0.7
173.02269	0.3
173.04446	1.4
173.06006	1.8
174.03149	0.6
174.06723	0.4
175.03918	1.7
175.07556	0.9
175.52687	0.4
176.04614	1.1
177.01871	0.4
177.09132	0.3
178.99796	0.7
179.03409	1.3
179.05669	0.5
179.07025	1.7
181.12245	0.4
183.04454	0.4
185.05997	1.1
186.06749	0.9
187.03915	0.9
187.07674	1.5
188.04715	0.9
189.01857	0.3
189.05508	1.8
191.03450	1.1
191.05551	1.1
191.07094	0.7
191.10669	0.9
192.04121	0.6
193.01372	0.6
193.05009	2.6
194.05774	1.7
199.03920	0.8
199.07602	0.6
201.05446	1.0
201.09151	0.6
202.06306	0.5
202.09914	0.3
203.07109	1.3
205.05022	0.3
207.02977	0.9
207.06616	0.6
208.03635	0.7
209.11777	100.0
210.12108	7.8
211.04047	0.6
211.07542	0.4
211.13264	0.5
212.04846	0.3
213.05501	0.8
213.09038	0.4
214.06308	0.8
215.03357	0.5
215.07123	0.7
216.07886	0.5
219.10205	0.5
224.06706	0.4
225.09212	0.4
226.02597	0.4
227.03456	0.6
227.11055	0.5
227.12846	15.2
228.07680	0.3
228.13173	0.9
229.08545	0.5
229.12236	0.5
235.08194	0.8
241.08737	0.7
242.09258	0.5
243.02951	1.1
243.10258	0.7
245.08243	0.5
245.11739	0.6
253.05318	0.6
253.09267	12.9
254.04208	2.9
254.09564	0.6
255.02895	1.8
256.03476	0.3
257.08148	0.9
267.10007	0.4
269.04187	0.4
270.01880	0.3
271.02518	5.0
271.05576	0.5
271.09702	0.4
271.13696	0.3
272.02911	0.8
272.06406	0.4
283.13397	0.5
283.16711	0.3
285.11636	0.3
285.14996	1.6
287.12958	0.5
289.10934	0.5
299.02139	0.7
299.05658	0.5
299.09280	0.4
299.12936	0.5
300.02740	7.2
301.03488	4.3
301.06647	0.5
301.14151	0.4
302.03842	0.3
303.16129	1.4
311.08878	0.3
311.16592	0.6
313.14474	1.9
321.14886	0.6
325.10568	0.4
327.12323	0.5
329.13773	0.3
331.17648	0.6
339.15985	2.2
340.16376	0.5
343.08206	0.6
357.17172	2.8
358.17444	0.6
370.08325	0.4
370.58423	0.6
375.18088	1.1
383.15182	0.6
392.57825	0.7
401.16132	1.3
403.10162	0.7
419.17325	0.4
433.11359	0.6
434.11697	0.3
441.62573	0.7
445.14948	1.0
446.15652	0.5
463.07687	0.5
463.11853	4.1
463.16483	3.2
463.22250	1.7
463.29211	2.0
464.11957	1.0
464.17221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44365	1.0
58.00469	22.6
59.01263	8.3
70.17872	2.2
70.18281	3.9
71.01260	4.8
73.02814	2.7
75.00769	3.0
81.08256	1.1
85.02810	1.2
89.02323	1.7
94.06457	1.3
101.02309	1.4
115.05983	0.9
118.06596	1.7
118.96766	1.0
120.08030	1.6
122.03691	1.0
122.06014	3.0
124.07568	3.4
125.02336	1.0
132.04457	6.5
135.00713	1.0
135.04448	1.6
137.04715	1.1
146.06023	19.9
147.06754	1.7
148.03931	1.3
148.07594	10.8
149.07828	1.4
150.05496	2.3
158.06071	1.1
159.19937	1.1
161.04712	2.2
165.04225	2.1
167.05841	6.9
174.05467	5.7
175.06192	1.8
176.07144	2.3
178.04976	1.4
179.05817	2.8
188.07123	1.7
189.04250	1.9
191.05811	1.8
195.05315	1.8
204.06630	14.8
205.07266	3.0
207.05325	3.7
209.11769	2.3
216.06541	1.6
217.07423	1.5
221.06911	1.5
226.12416	1.7
227.08168	3.0
228.13976	1.5
229.13492	2.1
237.06400	6.6
241.07352	2.7
241.09776	3.9
243.11328	3.3
249.06154	1.6
254.11867	1.3
255.11299	2.9
267.93948	1.2
269.13037	3.6
270.13733	1.2
271.11450	1.9
271.14453	15.5
272.14993	1.4
283.10974	2.0
288.11087	1.3
297.12393	3.1
299.14023	3.9
313.11713	1.8
313.15588	1.3
329.15067	24.2
330.15567	2.8
341.15170	1.6
343.13028	6.1
355.13007	4.9
373.14035	100.0
374.14392	13.1
385.14005	9.0
386.14639	2.0
397.18259	1.2
403.15164	7.4
404.15277	2.1
409.13986	4.3
427.09665	1.2
427.14740	5.5
463.17255	33.6
464.17767	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43877	0.5
57.03320	0.5
59.01250	9.2
69.81623	0.5
71.01260	6.6
73.02837	1.5
77.98277	0.5
80.04507	0.5
83.01263	0.8
85.02833	2.1
87.00751	7.0
89.02331	4.1
93.82383	0.5
97.06486	0.6
99.00774	0.7
101.02326	6.3
113.02332	3.4
119.03432	1.2
124.00234	0.5
130.99738	0.7
149.06013	1.2
158.03627	1.3
161.04483	2.3
165.12766	8.7
166.13142	0.6
173.05960	0.9
175.07587	0.7
183.13831	100.0
184.14166	7.6
186.03157	1.1
187.03889	1.2
187.07521	2.0
188.04718	0.8
188.07977	0.6
189.05479	0.9
209.11732	1.8
215.07085	2.1
216.07780	0.8
227.12820	7.5
228.13177	0.8
233.08194	0.6
235.08105	1.3
241.08606	2.0
242.09351	0.8
253.09277	7.9
259.09827	0.8
268.81079	0.6
313.14383	2.0
339.16003	1.3
357.17020	1.2
359.14999	0.6
383.14825	0.7
401.15509	0.8
429.52747	0.5
445.15115	1.2
445.21008	0.6
463.15964	8.8
463.21832	44.4
464.16125	2.1
464.22125	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03323	0.9
58.00462	0.4
59.01254	9.7
61.98726	0.4
65.00203	0.5
69.33045	2.9
71.01260	6.4
71.04904	0.6
72.99176	1.0
73.02814	2.1
75.00755	1.8
75.39225	0.4
80.02538	1.1
81.03324	1.6
83.01263	1.0
83.04897	5.0
84.02045	1.0
85.02825	2.2
87.00755	6.6
87.04394	0.5
89.02328	3.9
93.03337	1.0
95.01256	0.6
95.04922	0.9
97.02864	0.4
97.06467	0.8
99.00762	1.2
99.04391	0.4
101.02325	4.7
107.01273	0.7
108.02055	1.3
109.02833	1.4
109.06471	0.4
111.00755	0.8
113.02338	2.7
119.03379	1.2
119.04961	0.6
121.02885	0.8
122.03596	1.1
123.04436	0.5
125.02341	1.1
129.01805	0.6
130.99768	0.9
134.03596	1.2
135.00798	0.5
135.04405	1.6
135.08041	0.9
137.02304	1.0
137.06024	0.5
145.02907	0.5
145.06573	0.4
147.04384	0.8
148.01537	0.5
149.02357	1.3
149.04674	0.4
149.05994	1.2
150.03139	2.2
151.00285	2.5
153.01794	0.4
159.04411	0.6
161.04495	1.7
161.05901	0.8
162.19096	0.3
163.00319	1.0
163.03938	4.4
163.11197	4.2
164.04652	1.3
165.01881	1.1
165.12811	2.1
172.05287	0.5
173.06010	0.8
174.03088	0.4
175.03862	0.6
175.07573	0.7
177.01813	0.5
178.99797	1.2
179.03427	0.4
179.05602	0.5
181.12218	0.6
185.06075	0.5
187.03883	0.5
187.07639	0.8
188.04677	0.5
191.03339	0.6
191.05495	1.0
191.10640	1.2
193.01437	0.8
193.05045	0.5
199.04010	0.6
201.05400	0.4
201.09186	0.8
202.06450	0.4
206.02159	0.5
208.03699	1.1
209.11778	100.0
210.12132	8.2
213.05765	0.5
213.09241	0.8
215.07106	0.7
226.06400	0.5
227.03386	0.9
227.07149	0.6
227.12852	15.9
228.13206	1.3
229.08618	0.5
239.03957	0.4
239.10785	0.5
241.08751	1.9
241.14462	1.4
243.03058	1.8
253.09280	13.6
254.09489	0.5
255.03003	3.4
256.03439	0.8
257.11844	0.4
259.09949	0.4
271.02527	7.6
271.05670	0.7
272.03033	1.3
285.14853	0.5
289.07184	0.4
289.10736	0.5
299.01935	0.6
299.12955	0.4
300.02744	14.2
301.03561	7.5
301.07104	1.1
302.03821	0.6
303.15735	0.4
304.31567	0.4
311.16669	0.5
313.14511	1.4
339.16110	0.9
343.08191	4.2
344.08646	0.9
357.17172	0.9
373.09329	1.1
385.13037	0.6
401.16367	0.5
403.14078	0.4
445.28418	0.6
463.08936	9.5
463.15982	4.2
463.22235	1.0
463.29788	3.2
463.55829	0.4
464.09024	1.7
464.16605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85459	0.7
53.65658	0.7
53.92451	0.7
59.01233	2.2
59.79174	0.7
69.37395	5.1
69.37817	2.1
71.01228	2.5
72.36015	0.8
73.02776	1.1
81.89819	0.8
87.00752	100.0
88.01117	1.9
93.03342	0.9
93.26974	0.8
97.06500	1.0
97.66357	0.8
117.03320	1.0
121.02822	2.4
122.03571	1.1
125.39985	0.8
130.99765	23.5
135.04410	1.4
145.02812	2.7
146.03607	4.4
147.04434	2.0
148.05293	1.1
149.05963	1.8
158.03610	3.5
159.04422	5.1
160.01538	0.9
161.05957	1.1
162.06757	1.2
163.03893	3.6
163.07559	1.8
164.04649	2.4
171.04395	3.1
172.05183	2.4
173.05891	3.8
174.03168	1.1
174.06662	1.0
175.03842	2.8
175.07576	3.9
184.05139	1.4
185.05997	3.4
186.03067	1.5
186.06717	1.7
187.03903	6.2
187.07600	6.3
188.04706	2.4
188.08185	1.4
189.05492	2.8
190.02657	3.1
191.07080	1.9
195.04218	0.9
197.05984	1.0
198.06804	1.5
199.03831	1.8
199.07515	2.7
200.08070	1.0
201.05414	1.7
201.09058	3.3
202.06212	1.3
203.03490	1.0
203.07050	3.7
203.10698	1.4
204.04141	1.0
205.04910	1.0
205.08534	1.3
211.13377	1.4
212.04622	1.1
213.05492	3.2
213.09137	2.3
214.06187	1.9
215.07092	9.2
215.10898	0.8
216.07808	6.9
217.08575	3.0
219.06627	1.6
223.07552	0.9
225.08946	0.9
226.06212	1.2
227.07069	1.4
227.10677	1.2
229.08606	1.6
230.05830	1.6
231.06548	2.0
233.08199	1.5
234.08878	4.0
241.08691	6.7
242.09433	4.4
243.10170	3.4
244.07301	1.2
245.08191	1.9
255.10213	2.7
257.08206	1.4
259.09689	2.7
260.10461	2.6
261.10898	1.2
286.08444	1.1
304.09360	1.4
305.09924	1.0
313.14420	3.0
339.15967	2.3
357.17081	2.9
359.15039	2.0
366.09506	7.6
385.12863	1.1
401.16190	1.3
403.14133	1.5
419.17294	2.2
445.14926	4.0
446.15247	1.0
463.16077	48.0
464.16486	8.3
479.29657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.4
65.03828	1.1
70.90599	1.9
71.01235	2.9
71.80717	1.0
79.05392	3.7
81.05021	1.1
95.01247	5.0
105.03310	2.4
107.01244	1.3
107.04906	3.7
109.02863	10.3
113.02286	1.3
114.26643	1.3
119.04913	1.7
121.02844	9.4
122.03629	15.7
123.00769	2.3
123.04414	49.9
124.04714	2.0
133.02835	2.5
135.00778	2.8
135.04422	14.8
136.01543	5.8
137.02339	13.4
145.02774	1.3
145.94482	1.4
148.01534	2.6
149.02338	26.0
149.06067	1.5
150.03128	35.2
151.03906	24.2
161.02362	3.3
162.03127	2.6
163.03918	32.1
164.04486	1.8
165.05533	1.5
167.03389	1.9
177.01862	9.2
178.02643	13.2
179.03427	2.8
181.04984	7.5
182.02110	6.4
189.01900	2.0
192.61166	1.1
193.04893	1.4
195.02869	2.0
205.01295	7.8
206.02121	2.1
207.02869	4.8
208.03653	4.1
219.22748	1.2
235.02505	2.5
238.05852	1.1
242.05675	1.5
254.05925	1.3
256.07321	7.9
257.07761	1.7
258.05270	1.3
259.05914	1.7
271.09720	2.4
272.06940	5.9
273.07635	6.8
283.09738	1.4
285.07645	2.1
287.09244	8.3
299.09290	8.2
300.06378	5.0
301.07111	1.7
311.09216	2.2
313.07022	1.8
315.08743	50.0
316.09103	5.5
327.08679	13.9
328.08813	1.4
329.10281	1.3
343.08200	100.0
344.08487	11.3
345.09753	17.6
346.10223	2.2
355.08301	2.7
373.09268	51.3
374.09543	5.9
385.09100	3.4
415.10419	2.3
416.32721	1.2
445.11346	5.1
463.12500	25.1
464.12518	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	463.1248
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
57.03292	0.3
59.01252	4.4
63.02243	0.5
65.00201	2.8
67.01744	0.3
67.13538	0.2
68.99662	0.3
69.03305	0.9
69.50840	2.1
71.01255	3.2
72.99157	0.5
73.02808	1.7
75.00717	1.2
79.01740	1.0
81.03327	2.3
82.68756	0.2
83.01262	3.0
83.04905	0.3
85.02847	1.7
87.00763	2.5
89.02312	2.2
93.03339	2.0
95.01258	1.4
95.04882	0.6
97.02830	4.1
97.06436	0.3
99.00740	1.2
99.04354	0.4
101.02319	2.6
105.03348	1.5
107.01270	4.1
107.04971	0.3
108.02066	1.7
109.02860	1.5
111.00727	0.7
111.04343	0.4
113.02299	1.4
119.01281	0.4
119.04931	0.6
121.02847	6.1
122.03562	0.9
123.00793	1.6
123.04404	2.1
125.02341	11.9
126.02621	0.3
128.01035	0.4
130.99753	0.3
131.03339	0.3
133.02831	0.7
134.03635	14.6
135.00729	1.1
135.04454	4.1
136.01486	1.2
137.02353	3.3
139.03862	0.4
141.01735	0.3
145.02827	0.3
146.03616	0.4
147.04395	0.7
148.01595	0.4
148.05130	0.3
149.01245	0.4
149.02351	5.3
149.04662	0.6
149.05984	14.3
149.07188	0.7
150.03148	2.8
150.06322	0.3
151.00279	9.0
151.03886	0.8
152.00870	0.5
153.01871	0.7
155.03333	1.1
158.03596	0.9
159.04375	0.6
160.01482	0.5
161.02309	1.3
161.04449	0.9
163.00264	7.0
163.03893	1.2
164.01028	2.3
165.01846	9.2
165.05495	0.5
166.02417	0.8
167.03409	3.0
169.01326	0.4
172.05249	0.4
173.04529	0.5
173.05956	2.2
174.03058	1.0
175.00249	0.3
175.03935	2.5
177.01865	2.7
178.02673	2.7
179.03351	1.7
180.04128	0.4
183.04480	0.3
184.05305	0.3
187.07626	0.3
188.04654	0.3
189.05353	0.3
189.98949	0.5
190.99731	1.1
191.03378	1.5
191.05472	1.0
191.06999	1.1
192.00510	0.5
193.01357	22.5
193.04877	1.4
194.01680	1.3
197.04501	0.5
199.03807	0.9
200.04701	0.6
201.01840	1.2
201.05211	0.3
201.09134	0.4
202.02632	0.8
203.03316	0.4
204.04204	0.6
205.01358	1.4
206.02216	1.5
207.02904	2.0
209.11751	1.2
210.01616	1.6
211.02313	0.4
213.05530	0.3
213.09100	0.4
214.06203	0.5
215.03352	0.3
215.07028	0.8
216.07642	0.3
217.04974	1.6
217.08536	0.4
218.01956	0.3
219.02937	2.2
223.02429	3.2
226.06157	0.4
227.03523	0.4
227.10820	0.5
227.12779	2.0
231.02959	0.4
233.08173	0.5
238.01091	0.5
241.05124	0.7
242.05724	0.6
243.02820	0.6
254.05737	0.3
255.03093	0.3
255.06578	1.1
256.07376	0.8
257.04605	0.6
257.08063	1.1
259.06168	0.8
259.09830	0.3
271.02444	1.0
271.06137	0.4
271.09744	1.1
273.99057	0.3
275.09320	0.6
283.06116	0.8
284.03314	0.3
284.06836	1.3
285.03821	0.6
286.04651	0.5
289.07178	0.3
289.10721	0.5
295.06003	0.3
299.05475	1.0
299.09201	1.8
300.02661	1.6
300.06039	0.8
301.03384	0.9
301.07138	9.8
302.07498	0.9
310.04712	0.5
313.07196	2.5
313.14563	0.5
314.07681	0.6
315.08743	0.5
327.08823	0.5
328.05688	1.5
331.17529	0.5
339.16156	0.9
341.06271	0.4
343.08203	100.0
344.08569	12.0
355.08252	2.3
357.17084	0.7
373.09277	28.7
374.09515	3.5
385.09134	1.4
401.15939	0.5
403.10272	0.4
415.10693	0.3
433.17093	0.3
445.10684	2.0
463.12421	15.9
463.21411	2.5
464.12521	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	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60490	0.4
56.92860	0.4
57.03315	0.4
59.01234	1.3
73.02824	0.6
85.02814	0.8
87.00751	100.0
88.01083	1.9
97.06450	0.8
98.20558	1.3
100.33650	0.5
109.02843	1.0
110.25993	0.4
121.02834	1.5
122.03629	0.8
130.04198	0.5
130.99760	6.4
135.04420	0.7
137.02274	0.8
145.02814	1.1
146.03642	3.9
147.04387	1.9
148.05212	0.9
149.02309	0.8
149.05969	1.9
150.03172	0.7
158.03621	1.8
159.04384	2.3
160.05176	1.2
161.02351	1.4
161.05965	1.3
162.03143	5.7
163.03917	2.5
164.04713	2.5
171.04442	1.1
172.05196	3.2
173.02408	0.8
173.05957	2.9
174.03102	2.4
175.03915	3.2
175.07483	2.1
176.04607	0.7
183.13776	0.4
184.05251	0.5
185.05963	1.6
186.03157	1.1
186.06747	0.9
187.03952	2.6
187.07587	2.9
188.04712	12.8
188.08279	0.7
189.05466	2.6
189.09134	0.8
190.02657	1.0
190.06276	0.6
191.03345	0.6
197.05995	1.0
198.06744	0.6
199.04016	0.5
199.07581	0.7
200.08235	0.5
201.05473	1.0
201.09120	1.1
202.06262	0.7
203.03421	0.5
203.07045	1.6
203.10747	0.7
204.04211	0.7
211.13332	1.1
213.05507	1.7
213.09120	0.8
214.06230	1.1
215.07050	3.2
216.07796	1.7
217.05069	0.7
217.08566	1.3
219.06558	0.6
225.05418	0.4
227.03423	0.6
229.08632	0.5
230.05803	0.7
231.06509	0.9
233.08124	0.7
234.08879	1.1
237.04062	0.6
237.42258	0.4
241.08664	3.1
242.09425	1.6
243.06404	0.5
243.10239	0.7
245.08086	0.7
252.02837	0.7
255.10214	0.5
259.09659	1.5
260.10342	1.1
285.15118	1.0
295.13358	0.8
297.14969	1.4
313.14496	4.3
313.17932	0.8
314.14716	0.8
315.16077	1.5
316.13132	0.5
317.13910	0.6
329.17441	0.5
331.15482	5.7
332.15802	0.8
339.15997	3.1
343.08298	0.6
347.18591	0.7
355.15332	0.6
357.17084	5.9
358.17416	1.2
359.14740	0.8
366.09595	1.4
373.16528	1.5
375.18103	2.9
376.18445	0.5
383.14807	0.9
401.16101	1.1
419.16806	0.7
445.14810	1.4
463.09698	1.0
463.16113	15.7
463.21701	0.6
464.16315	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	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.1
59.01252	9.7
67.01768	1.6
68.99691	1.2
69.03321	1.1
71.01257	7.6
71.04897	4.2
72.99177	1.0
73.02830	4.5
75.00747	5.0
81.03329	23.3
83.01254	6.5
85.02829	2.5
87.00762	17.8
89.02334	2.3
93.03334	1.5
95.01224	1.5
95.04903	10.8
97.02816	9.0
97.06461	3.4
98.19781	2.8
99.00774	1.8
99.04400	16.8
101.02326	3.0
105.03357	1.2
107.04928	2.5
109.02837	3.9
111.00718	1.5
111.04388	2.6
113.02330	3.2
121.02888	1.8
123.04404	13.7
124.01586	2.0
125.02334	59.4
126.02666	1.5
130.99796	1.6
135.04428	2.5
135.56918	1.0
137.02365	11.9
139.03908	10.3
141.02643	1.1
145.02814	1.2
146.03670	1.4
147.04410	4.9
149.02354	3.3
149.05971	4.1
151.00345	1.1
151.03876	2.8
158.03636	3.0
159.04431	4.4
161.02347	1.3
161.05937	1.9
163.03900	3.3
163.07617	1.2
164.04733	1.4
165.01744	1.8
167.03412	100.0
168.03716	4.1
173.05983	3.3
174.06825	1.2
175.07552	4.0
179.03471	5.3
183.04494	1.2
184.05180	1.4
185.05914	1.6
186.03142	3.0
186.06865	1.6
187.03917	2.5
187.07565	5.8
188.04626	2.2
188.08302	1.2
189.05669	1.3
189.09064	1.2
191.03351	1.8
191.05486	1.6
191.10768	1.5
193.04950	2.1
197.04489	19.5
197.06175	1.9
198.04912	1.2
199.07587	2.3
201.05530	2.0
201.09117	2.8
202.06366	1.4
203.07150	2.4
205.08508	1.4
209.04471	2.1
209.11771	4.4
213.05521	3.1
213.09158	3.0
215.07103	6.3
215.10764	1.9
216.07809	2.0
217.08575	2.3
219.02953	1.1
227.06982	1.4
227.10754	1.8
227.12909	3.7
229.08678	1.1
230.05663	1.5
231.06380	1.8
231.10234	2.5
233.08067	1.5
241.08653	8.3
242.09413	4.1
243.10172	2.0
255.10063	1.4
259.09784	4.5
260.10492	2.1
269.11627	2.3
271.02509	2.5
275.09256	1.2
285.15009	2.0
287.07697	1.5
299.13031	1.6
300.02722	4.4
301.03754	5.0
301.06781	1.5
301.14249	1.9
304.09381	1.7
313.14548	7.0
314.14804	1.5
339.16003	6.0
341.13852	1.5
343.08212	44.7
344.08530	5.6
355.15680	1.6
357.17014	3.7
359.15063	3.8
370.07962	1.2
370.58350	2.3
373.09283	10.9
401.15753	3.0
403.14395	1.4
405.56845	2.2
419.16690	1.2
445.15378	2.1
463.12152	32.3
463.16562	24.2
463.25372	3.1
463.29910	2.6
464.12485	4.7
464.17224	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	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.1
59.01252	9.7
67.01768	1.6
68.99691	1.2
69.03321	1.1
71.01257	7.6
71.04897	4.2
72.99177	1.0
73.02830	4.5
75.00747	5.0
81.03329	23.3
83.01254	6.5
85.02829	2.5
87.00762	17.8
89.02334	2.3
93.03334	1.5
95.01224	1.5
95.04903	10.8
97.02816	9.0
97.06461	3.4
98.19781	2.8
99.00774	1.8
99.04400	16.8
101.02326	3.0
105.03357	1.2
107.04928	2.5
109.02837	3.9
111.00718	1.5
111.04388	2.6
113.02330	3.2
121.02888	1.8
123.04404	13.7
124.01586	2.0
125.02334	59.4
126.02666	1.5
130.99796	1.6
135.04428	2.5
135.56918	1.0
137.02365	11.9
139.03908	10.3
141.02643	1.1
145.02814	1.2
146.03670	1.4
147.04410	4.9
149.02354	3.3
149.05971	4.1
151.00345	1.1
151.03876	2.8
158.03636	3.0
159.04431	4.4
161.02347	1.3
161.05937	1.9
163.03900	3.3
163.07617	1.2
164.04733	1.4
165.01744	1.8
167.03412	100.0
168.03716	4.1
173.05983	3.3
174.06825	1.2
175.07552	4.0
179.03471	5.3
183.04494	1.2
184.05180	1.4
185.05914	1.6
186.03142	3.0
186.06865	1.6
187.03917	2.5
187.07565	5.8
188.04626	2.2
188.08302	1.2
189.05669	1.3
189.09064	1.2
191.03351	1.8
191.05486	1.6
191.10768	1.5
193.04950	2.1
197.04489	19.5
197.06175	1.9
198.04912	1.2
199.07587	2.3
201.05530	2.0
201.09117	2.8
202.06366	1.4
203.07150	2.4
205.08508	1.4
209.04471	2.1
209.11771	4.4
213.05521	3.1
213.09158	3.0
215.07103	6.3
215.10764	1.9
216.07809	2.0
217.08575	2.3
219.02953	1.1
227.06982	1.4
227.10754	1.8
227.12909	3.7
229.08678	1.1
230.05663	1.5
231.06380	1.8
231.10234	2.5
233.08067	1.5
241.08653	8.3
242.09413	4.1
243.10172	2.0
255.10063	1.4
259.09784	4.5
260.10492	2.1
269.11627	2.3
271.02509	2.5
275.09256	1.2
285.15009	2.0
287.07697	1.5
299.13031	1.6
300.02722	4.4
301.03754	5.0
301.06781	1.5
301.14249	1.9
304.09381	1.7
313.14548	7.0
314.14804	1.5
339.16003	6.0
341.13852	1.5
343.08212	44.7
344.08530	5.6
355.15680	1.6
357.17014	3.7
359.15063	3.8
370.07962	1.2
370.58350	2.3
373.09283	10.9
401.15753	3.0
403.14395	1.4
405.56845	2.2
419.16690	1.2
445.15378	2.1
463.12152	32.3
463.16562	24.2
463.25372	3.1
463.29910	2.6
464.12485	4.7
464.17224	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	461.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.0
68.99690	1.4
69.81563	1.9
71.00562	0.5
73.34797	0.4
77.03854	0.4
79.05423	1.6
91.05412	6.2
93.03334	1.3
95.04910	3.1
98.19794	0.7
103.05444	3.3
105.03348	7.7
108.02049	2.0
109.02853	0.7
111.00753	0.5
119.04920	8.8
120.05274	0.4
121.02843	10.0
122.03648	6.2
124.01564	0.7
129.03349	2.7
133.02853	2.9
135.04402	1.0
137.02347	49.9
138.02695	1.8
138.10114	0.4
139.03914	17.9
145.02864	1.4
146.03645	1.2
147.04422	100.0
148.05215	32.2
149.05586	1.8
154.02647	0.7
163.03925	4.8
164.04752	3.2
165.01802	0.8
171.23190	0.5
179.03424	0.9
191.03439	12.5
192.04210	49.3
193.04628	3.4
198.06830	0.5
207.02907	6.0
208.03387	0.5
224.03214	6.4
225.14922	0.5
236.03238	14.4
237.03606	1.0
293.21295	2.6
315.30371	0.4
323.16513	0.7
373.20172	0.9
417.19357	1.2
436.21579	0.6
461.18152	8.0
461.24149	0.6
462.18597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.5
59.01255	4.1
59.18366	0.5
61.98700	0.6
71.01234	0.8
74.28851	0.4
74.80496	0.5
75.90274	0.5
78.95779	6.5
80.05247	0.5
83.04873	0.5
87.00712	0.7
93.61480	0.5
96.95864	0.6
97.06478	1.1
99.00737	0.5
101.02324	1.2
109.06454	0.8
110.98421	5.8
113.09613	15.2
123.54792	0.5
133.02872	0.6
139.11176	1.6
147.04416	1.5
148.05005	0.6
149.09572	0.6
152.99530	0.6
159.04402	0.5
160.93533	0.5
167.01068	3.0
167.10692	1.7
171.10165	1.1
175.07594	0.7
179.10663	2.0
183.13866	1.7
185.02130	6.6
186.06808	0.7
191.03441	1.0
192.04184	0.8
195.13876	3.9
199.07631	0.7
201.09212	0.9
207.10239	1.6
214.06229	0.7
215.07036	0.7
225.11192	1.1
229.57722	0.5
243.10281	1.3
249.22191	2.1
275.20163	2.2
276.20551	0.7
285.04111	0.9
293.21228	100.0
294.21552	11.2
385.16406	0.7
389.76324	0.6
461.23349	11.7
461.29245	1.3
462.23318	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
60.01511	0.2
63.02274	0.6
65.00198	0.9
70.83547	0.6
71.01260	0.9
73.02808	0.3
83.01262	0.7
85.02806	0.4
89.02305	0.4
91.01792	0.2
93.03346	0.2
94.00759	0.2
101.02329	0.4
107.01285	2.5
108.02087	1.1
108.79048	0.2
109.02825	1.3
121.02837	1.7
123.00739	0.3
125.02333	0.4
131.03369	0.3
133.02866	0.3
134.03621	0.5
135.00772	1.0
147.00661	0.2
148.01591	1.5
149.02312	0.6
149.04483	0.3
149.05972	0.6
151.00276	10.6
152.00659	0.5
163.00264	2.3
163.03955	0.3
164.01073	0.6
165.01814	0.4
169.01361	0.3
171.04565	0.3
174.03145	0.3
175.03850	0.3
177.01848	0.2
178.99788	5.4
180.00169	0.3
183.04448	0.4
187.03880	0.4
188.04776	0.2
190.99815	0.4
191.03481	0.2
192.00462	0.5
193.01331	0.7
198.03065	0.4
199.03951	0.8
201.05356	0.3
203.03477	0.3
211.03928	0.9
213.01680	0.3
213.05450	0.3
215.03398	0.4
216.04141	0.6
226.02692	2.3
227.03455	2.7
228.04100	0.3
229.05016	0.5
239.03452	0.3
243.02974	10.7
244.03479	1.1
245.04575	0.9
245.07899	0.2
254.02162	3.0
255.02969	23.0
256.03360	2.2
271.02478	53.1
272.02914	7.4
273.03976	1.2
283.02359	1.3
299.02148	1.2
300.02747	100.0
301.03458	46.2
302.03882	4.0
343.04520	0.4
343.08212	3.6
344.08594	0.5
373.09280	1.0
419.78848	0.2
463.08804	65.9
464.09113	9.5
464.15744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.9
68.99687	1.7
70.40265	1.7
79.05418	1.0
91.05412	8.2
92.28402	0.6
93.03332	1.4
95.01311	0.5
95.04900	3.7
103.05437	3.5
105.03349	9.0
106.03742	0.6
108.02077	2.4
109.02837	0.8
119.04909	8.3
121.02836	9.4
122.03664	5.8
129.03372	2.9
133.02852	3.2
137.02347	45.9
138.02705	2.0
139.03905	14.5
144.00945	0.5
145.02872	0.8
146.03633	1.1
147.04425	100.0
147.17464	0.5
148.05232	31.3
149.05576	1.7
154.02647	0.9
156.25517	0.5
163.03934	3.8
164.04701	2.4
179.03439	1.0
191.03436	10.1
192.04208	50.6
193.04541	3.8
193.12245	0.7
207.02983	6.0
208.03325	0.6
224.03207	5.9
236.03198	14.5
237.03548	1.3
264.03653	0.6
301.61066	0.6
355.19257	1.1
417.19315	1.3
434.22177	0.6
461.18198	8.4
462.18817	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31173	0.8
57.03325	100.0
58.00452	0.8
58.03664	2.1
59.00952	1.5
59.01252	31.0
71.01259	3.9
71.24720	0.9
72.99194	2.6
73.02836	2.3
81.03345	7.3
82.03669	1.0
83.01272	2.1
87.00776	1.4
87.49683	0.7
87.82994	0.6
88.60152	0.7
89.02349	2.1
89.55292	0.7
95.01255	0.9
99.04398	53.7
100.04750	2.8
101.02329	28.4
101.03003	1.2
102.02693	0.8
113.02314	1.0
119.03424	0.9
121.02806	0.7
123.04444	2.3
125.02337	15.2
137.02377	1.0
143.03397	0.9
149.06021	1.5
150.03162	1.2
151.00345	1.1
153.01889	3.2
153.05472	0.7
161.04544	1.0
165.01851	12.1
166.02672	1.8
167.03423	6.8
168.04210	10.2
180.04222	13.5
181.04857	2.2
183.06567	43.0
184.06943	2.1
191.03561	2.5
192.04204	1.7
195.06566	59.4
196.05406	0.7
196.06969	3.3
197.89633	0.9
207.06508	3.8
209.04581	1.2
238.04877	1.1
243.08687	10.6
317.12259	3.6
329.12552	2.5
339.14603	2.1
341.12506	1.0
342.13126	0.8
359.13461	5.4
360.13950	1.4
399.16464	7.0
400.17081	1.1
461.16830	17.6
462.17252	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	461.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	22.8
58.24359	1.1
69.03328	4.3
69.31092	1.1
69.42157	8.0
71.01259	3.1
73.02820	11.5
87.00772	2.3
97.06479	5.8
98.19658	1.1
101.02327	34.9
110.77501	1.3
112.62176	1.1
113.02329	3.1
121.19659	1.3
135.04472	2.1
143.04953	3.1
146.03654	11.4
147.04431	6.8
149.05984	2.9
156.05727	5.2
157.06407	1.2
158.03632	2.4
158.07304	1.5
159.04442	14.9
159.08043	2.8
160.05220	2.8
161.06015	6.7
169.06563	2.0
171.04431	8.7
171.08061	7.7
172.05220	24.2
173.02391	3.2
173.06017	14.4
173.09579	1.9
174.03133	4.8
174.06723	5.2
175.03856	2.6
175.07558	36.5
176.07837	2.5
184.05208	3.1
185.05991	17.8
186.06784	18.7
187.03955	5.3
187.07571	29.8
188.08099	1.8
189.05490	4.5
189.09146	9.2
190.09959	3.4
191.03439	14.4
192.04083	1.4
196.05246	13.9
197.05980	10.2
197.09619	1.8
198.06770	3.4
199.03979	10.3
199.07594	29.7
199.11282	3.0
200.04720	10.7
200.08374	13.7
201.05481	10.0
201.09143	58.6
202.06287	16.0
202.09447	5.2
203.07030	7.1
204.07677	2.6
205.08601	1.4
209.05974	1.6
210.06812	8.1
211.07605	6.1
213.05490	6.5
213.09109	2.1
214.06308	34.8
214.09785	1.6
215.07092	37.9
215.10635	17.4
216.07727	6.4
216.11412	2.9
218.05807	2.1
223.07582	6.6
224.08359	5.8
225.09174	37.0
225.11388	2.8
226.09837	12.6
227.10681	12.1
228.07841	8.0
229.08656	28.8
230.09076	2.2
231.06650	6.0
232.07362	2.4
233.08154	3.5
233.11859	2.0
234.08940	15.2
235.09578	3.4
239.10773	1.7
243.10240	100.0
244.07422	1.7
244.07982	1.9
244.10867	24.2
245.08194	23.6
245.11647	5.9
254.09535	1.9
270.08835	2.2
271.09741	1.5
275.12949	5.9
276.13492	1.9
287.09213	6.7
288.10065	11.0
289.10611	2.8
297.14954	2.4
299.01959	1.5
302.11615	3.4
311.12799	1.6
323.16522	9.2
341.17496	2.9
385.16583	27.3
386.17075	2.0
417.19037	3.3
429.15579	7.5
461.18332	40.3
462.18613	7.5
467.19098	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	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74937	0.2
57.03334	0.3
59.01257	1.9
65.03845	2.1
67.01775	0.7
69.03321	0.5
69.34298	1.3
69.34705	0.5
71.01263	0.5
71.49937	0.2
72.99223	0.2
73.01762	0.2
73.64885	0.3
76.01143	0.2
79.05424	0.4
80.02562	0.3
85.02838	0.3
87.00771	0.4
88.80354	0.2
89.49785	0.2
90.20280	0.2
91.05411	8.3
92.05752	0.3
93.03340	2.3
95.01267	0.3
97.02839	1.7
98.19747	0.4
101.02327	0.6
103.05442	0.3
108.02055	4.5
109.02841	22.8
110.03181	1.0
117.03351	0.5
119.04881	1.0
121.02847	23.9
122.03079	1.0
123.04434	0.4
133.02829	1.6
134.03624	0.2
135.04416	61.6
136.04750	2.8
143.08699	0.3
145.02931	1.0
145.06477	0.3
147.04424	13.9
148.05212	1.6
149.02365	0.6
149.06001	0.2
151.04012	0.2
152.01051	1.6
153.01836	0.9
159.04486	1.1
163.04025	0.2
166.04982	0.5
167.05437	0.3
169.06554	0.3
171.08096	0.8
172.05115	0.4
173.04663	0.3
173.05936	1.7
174.03131	0.3
175.03932	0.4
187.03986	0.3
187.07584	1.5
188.04726	0.7
189.05438	0.4
189.09137	0.7
193.04889	0.3
195.08109	0.6
197.06013	1.0
198.06731	0.5
200.04727	0.2
201.05496	0.9
211.07561	0.5
213.05466	0.3
213.09149	1.8
214.06181	0.3
214.09628	0.3
215.07115	2.5
224.04820	0.4
227.03423	0.3
227.10846	0.4
228.04085	0.3
229.08566	0.7
239.07094	2.9
239.09436	0.3
239.10513	0.2
241.05000	0.4
242.05746	1.0
243.10390	0.3
249.97711	0.3
255.03012	2.9
256.03513	0.4
257.08176	100.0
258.08517	9.3
269.04568	0.9
277.21005	0.2
281.08066	0.8
283.02484	2.6
284.03098	0.4
297.03955	2.8
297.14774	0.3
298.04739	1.5
299.05508	0.6
299.09027	0.5
300.13196	0.2
311.09042	0.3
337.14380	0.3
338.14651	0.2
341.17368	0.5
355.15463	0.5
373.16412	0.4
385.16370	1.0
399.14212	0.3
401.12460	2.3
417.19284	0.3
419.13309	0.4
461.10559	8.1
462.10770	1.1
489.21390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79805	1.4
53.27522	1.4
57.03313	5.0
58.20334	1.5
59.01249	20.3
64.86574	1.6
69.03344	3.8
70.86461	3.8
71.01257	14.8
73.02834	10.1
83.01266	4.1
85.02842	4.2
88.79132	1.4
89.02317	6.0
89.85206	1.7
97.02820	16.5
99.00755	21.8
99.04399	2.2
101.02323	15.3
111.00820	2.3
113.02339	9.7
118.02813	1.5
123.04414	1.4
124.00008	1.5
124.01508	2.6
125.02339	100.0
126.02676	3.2
131.03384	2.4
132.13820	1.3
161.04478	8.0
164.49121	1.4
167.07095	1.9
179.03320	1.8
191.05582	2.1
195.06528	3.4
196.66592	1.5
203.05563	2.9
232.88220	1.4
293.09048	1.6
311.08188	1.7
329.08658	1.9
419.12024	29.9
420.12436	3.7
461.12930	21.1
462.13513	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	461.1092
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
57.03299	0.4
58.42057	0.4
59.01249	4.1
60.18577	0.4
66.40940	0.4
70.03058	1.8
72.99181	0.6
78.27473	0.4
85.02833	0.9
87.00735	1.2
89.02360	1.0
91.01758	5.8
101.02290	1.0
108.02027	1.3
109.02834	0.5
109.99967	0.5
110.78376	0.4
111.00733	0.5
113.02349	0.9
119.03535	0.4
121.02840	0.6
123.00752	1.3
123.04348	0.5
135.00780	9.6
135.04326	0.5
136.01120	0.7
147.04387	0.6
148.01569	5.2
149.02220	0.4
149.05991	1.8
152.01076	0.5
153.01834	5.7
158.03618	1.0
159.04436	0.6
161.02397	0.9
163.00256	1.2
163.03976	0.6
164.00958	0.7
165.05493	0.4
175.03914	0.6
183.04468	1.0
184.05167	1.6
185.02344	1.2
186.03159	0.6
187.03928	3.0
193.04988	1.2
198.03151	1.0
199.03885	1.3
200.04709	1.9
207.10181	0.5
210.03229	0.5
211.03987	4.1
212.04721	2.5
213.01891	1.3
214.02682	4.8
215.03418	1.5
219.02928	0.6
225.11259	0.5
227.03473	6.7
228.04147	2.0
238.02667	1.5
239.03488	4.5
240.04266	8.5
241.01375	0.7
241.04570	1.1
255.02975	22.6
256.03622	6.8
257.04178	0.9
266.02243	1.9
267.02921	1.3
283.02475	12.1
284.03265	100.0
285.03607	10.7
285.06723	0.8
298.04483	0.6
299.05612	99.0
300.05933	9.4
458.21835	0.4
461.10907	50.1
462.11185	7.4
471.40521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23827	0.8
57.03324	1.6
59.01257	6.1
59.37609	0.8
65.13870	0.8
69.03333	2.2
71.01255	5.9
71.40736	2.1
73.02812	2.0
75.00758	1.5
81.03329	2.1
85.02824	4.2
87.00752	4.0
89.02326	1.3
93.03325	2.6
95.01246	1.7
95.02993	0.8
99.82391	0.9
101.02316	3.8
104.72145	0.9
107.01324	0.8
108.02055	71.0
109.02857	35.1
110.03143	0.9
113.02314	2.5
117.03355	28.0
119.04924	9.4
121.02857	0.9
123.00788	2.1
123.04417	2.0
125.02335	1.2
127.09945	0.9
135.00766	2.5
135.04379	1.1
137.02316	1.0
139.18553	0.8
145.02858	83.3
146.03149	4.1
147.04387	2.6
149.05978	1.6
152.01057	100.0
153.01851	35.2
154.02173	1.2
160.01512	1.8
161.02361	1.6
163.03911	7.1
165.01796	0.9
172.05215	1.6
173.06009	1.9
174.03224	0.9
175.03879	2.5
177.42049	0.9
183.04497	1.1
185.06001	3.3
187.03914	1.7
188.04593	2.9
189.05437	1.2
191.05528	2.1
197.05923	2.3
199.07498	1.1
201.05554	2.1
203.07062	1.5
207.10278	0.9
209.05946	1.0
211.07588	1.7
213.05479	2.7
213.09142	1.2
215.07112	1.2
217.08566	1.3
225.05656	1.0
225.09135	1.8
227.07126	1.6
227.10733	1.1
239.07069	1.3
241.08740	1.5
241.12270	1.1
243.10065	2.2
253.08765	1.1
255.02965	2.6
255.06581	1.3
255.10124	1.3
257.08072	1.5
258.08627	1.2
283.02625	1.5
283.13028	1.2
284.03268	2.7
285.14825	1.2
297.14865	2.2
299.02032	1.3
299.05557	3.7
300.13687	3.2
307.08286	3.1
311.13022	1.1
312.13525	1.0
315.07208	44.3
316.07535	4.2
323.16367	1.7
327.16156	1.6
337.14612	2.2
338.14774	0.9
341.17578	3.9
355.15414	3.3
373.16492	1.8
385.16632	6.2
417.15607	1.7
461.10846	99.7
462.11230	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03328	0.9
58.00468	0.5
59.01253	100.0
60.01587	1.4
60.75417	0.2
69.03344	0.4
70.08092	0.9
70.81923	0.2
71.01257	13.4
72.99202	0.6
73.02821	5.6
75.00793	0.2
81.03348	0.2
83.01264	2.1
85.02828	5.5
87.00763	1.9
87.04406	1.0
89.02318	5.2
91.01774	4.7
93.03354	0.3
93.58815	0.2
95.01251	1.0
97.02834	0.5
99.00758	1.6
101.02325	8.7
102.02670	0.2
108.02061	0.4
111.00760	1.1
112.01572	0.2
113.02329	6.0
114.02673	0.2
119.03464	1.5
119.04919	25.9
120.05260	1.4
121.02822	0.3
122.03650	0.6
125.02358	0.9
135.00781	9.0
136.01146	0.5
143.03392	1.1
145.02888	0.4
148.01604	0.3
149.02362	0.2
149.04456	0.2
153.01845	4.8
159.02916	0.3
161.04474	3.7
169.12297	0.3
179.05620	0.6
185.15398	0.2
186.07077	0.2
191.03481	0.4
193.05040	0.2
211.07607	0.2
221.92711	0.2
255.06612	26.3
255.19702	0.8
256.06955	2.8
297.07831	0.4
297.20786	0.4
316.82941	0.3
325.20233	0.3
329.19724	0.9
352.07791	0.2
381.22980	0.8
399.18613	0.5
399.23898	10.7
400.24164	1.8
417.24945	10.0
418.25320	1.2
443.98212	0.2
459.13049	0.6
459.20081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03328	0.6
59.01254	100.0
60.01589	1.2
64.87359	0.2
68.25875	0.2
69.03310	0.3
71.01257	7.6
72.99175	0.4
73.00484	0.2
73.02827	2.2
75.00728	0.3
83.01282	0.9
85.02831	3.8
87.00750	1.6
87.04404	0.9
89.02321	1.5
93.03365	0.3
95.01258	1.0
99.00764	1.2
101.02338	4.1
113.02337	7.0
115.03968	0.3
119.03424	0.4
121.02859	0.3
125.02350	0.5
129.01894	0.4
137.02347	0.5
137.11592	0.2
137.95103	0.2
143.03357	0.3
147.04430	0.9
148.05237	0.3
149.06018	0.9
159.03023	0.3
161.04498	3.1
172.05215	0.3
173.05977	0.4
187.03964	0.4
187.07544	0.3
191.05579	0.4
192.03981	0.2
201.09184	0.3
209.06590	0.5
211.07506	0.4
253.05167	0.3
255.06592	0.3
255.19772	0.3
343.21201	0.4
399.23941	4.8
400.24335	0.7
417.25116	2.4
418.25653	0.4
459.13174	0.5
459.23090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78741	0.4
57.03336	1.0
59.01257	4.3
59.38599	0.4
69.03328	2.5
69.87776	2.5
71.01266	2.6
72.99178	0.6
73.02824	0.8
81.03321	0.9
85.02822	3.9
87.00759	3.7
89.02335	0.6
93.03346	2.8
95.01283	2.1
97.02841	1.6
99.00748	1.0
101.02328	2.1
107.01268	1.1
107.04951	0.6
108.02059	64.2
109.02869	22.9
110.03169	1.0
111.00788	0.8
113.02323	1.6
117.02554	1.0
117.03359	14.6
118.03633	0.6
119.04926	17.7
121.02848	1.3
123.00785	2.3
125.02379	2.8
126.48202	0.6
133.02814	1.2
134.03630	0.7
135.04428	1.3
137.02325	1.0
145.02864	50.1
146.03160	2.6
147.00848	0.5
147.04439	0.9
149.05986	0.7
151.00290	2.2
151.03973	0.6
152.01068	100.0
153.01855	48.8
153.09158	0.6
154.02205	1.9
159.04485	0.9
161.02324	1.0
162.03085	0.6
163.03928	14.4
164.04324	1.3
172.15552	0.5
173.04489	1.9
175.03912	1.3
177.01883	1.3
183.04446	0.9
185.06041	1.7
187.03929	1.8
191.03493	0.6
191.05568	1.0
193.04956	0.9
197.06033	0.7
199.07607	0.8
200.04745	0.6
211.07523	0.7
213.05600	1.3
213.09209	0.8
213.73952	0.5
225.11145	0.6
241.01396	0.6
241.12349	0.8
253.08957	0.7
257.08105	0.7
269.11813	0.8
270.01526	0.6
271.02283	1.2
282.05255	0.8
297.06015	5.5
297.14923	0.8
298.06772	0.6
299.02084	2.5
300.13644	1.5
301.14337	0.9
307.08243	1.7
311.12994	0.6
315.07227	5.2
323.16800	1.1
339.08759	0.5
341.17480	4.7
355.15744	0.8
385.16666	3.3
399.14597	0.9
417.11975	1.3
461.10950	93.4
462.11340	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	459.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
61.38872	0.3
69.89861	0.7
69.90269	1.1
71.01260	0.4
76.37165	0.3
83.11777	0.3
87.00746	0.5
93.03316	0.5
96.65194	0.3
106.21420	0.3
121.02837	4.6
125.02434	0.4
136.01530	0.5
138.03128	0.3
146.93050	0.3
149.02348	73.0
150.02675	3.3
222.06805	0.6
223.07439	0.5
229.08649	0.5
239.07036	0.9
240.07887	63.1
241.08228	6.6
255.10246	100.0
256.10577	10.5
275.99194	0.4
342.19186	0.3
380.28516	0.3
459.16644	2.3
460.16806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69708	0.2
59.01262	1.0
59.83016	0.2
63.57845	0.2
64.92230	0.2
70.40748	0.4
70.41132	0.5
71.01271	0.3
83.07689	0.2
86.85606	0.2
93.03341	0.7
121.02838	0.8
136.20197	0.2
137.02339	0.8
139.03911	1.0
145.02849	0.4
147.04393	0.3
149.02351	100.0
150.02695	4.8
163.03969	0.3
201.09192	0.5
211.07542	0.4
219.10097	0.2
225.05525	0.8
239.07053	1.3
240.07887	69.1
241.08237	6.3
255.10251	61.7
256.10617	7.0
297.11047	0.3
343.19220	0.3
371.18481	0.3
415.17529	0.3
449.49844	0.2
454.01282	0.2
459.17267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26177	0.6
55.38960	0.5
55.92788	0.5
57.03326	1.3
59.01253	100.0
60.01585	1.2
61.98681	0.6
67.01769	1.1
68.99705	0.9
71.01255	4.0
71.04884	0.6
72.79993	0.5
73.02831	1.8
75.00776	0.6
81.03322	0.7
83.01303	0.5
83.04926	1.4
85.02817	3.3
87.00746	3.3
87.04366	0.9
89.02346	2.2
91.05427	1.3
93.03336	8.0
95.04915	1.1
97.02882	0.6
97.06455	0.9
98.19737	1.3
99.00772	1.5
99.04430	0.7
101.02327	1.7
103.05457	0.6
105.03380	1.9
108.02081	0.9
109.02823	0.7
111.04401	3.9
111.08074	1.9
111.16710	0.6
112.04935	0.6
113.02332	1.1
115.84472	0.6
119.04950	1.7
121.02821	4.3
123.04480	0.8
125.02428	0.6
129.01846	0.9
135.04477	0.9
137.02319	2.9
139.07585	1.4
145.02902	0.9
146.66591	0.6
147.04414	11.0
148.05208	1.4
148.10896	0.6
149.02361	3.6
149.06007	3.6
155.03418	2.5
156.23068	0.7
159.04497	0.9
161.02431	0.7
161.04483	0.7
163.03929	1.4
163.11324	0.5
164.04716	3.9
165.05458	1.0
173.04477	15.2
175.03984	0.8
179.03589	0.7
179.07033	2.9
181.12314	1.0
189.05626	0.7
191.03575	2.6
191.05534	19.7
192.04262	1.7
193.04994	1.0
207.06647	1.4
209.06073	0.6
223.13309	0.7
225.11299	0.9
241.14478	7.9
242.14801	0.8
285.13446	30.4
286.13873	2.0
339.14450	0.7
371.11536	1.0
399.16882	2.1
415.10217	1.3
459.12747	1.3
459.18433	17.5
460.19196	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39415	1.1
57.03319	2.6
57.46988	1.1
59.01251	100.0
60.01590	2.4
62.60907	1.2
67.01756	1.9
71.01253	6.5
71.01677	2.8
71.04887	1.7
72.99169	1.8
73.02815	3.2
83.04910	2.5
85.02827	4.1
87.00758	4.1
89.02316	3.3
91.05398	1.4
93.03349	13.1
99.00778	1.3
99.04412	1.5
101.02323	3.4
105.03337	1.8
107.14082	1.2
111.04401	3.0
111.07982	1.4
112.32674	1.2
113.02337	1.7
119.04933	4.0
119.93078	1.2
121.02842	24.7
123.04409	1.7
131.93634	1.2
135.04347	2.2
137.02315	4.9
139.03754	1.6
139.07605	1.4
147.04428	16.8
148.05086	1.4
149.02333	4.9
149.05937	5.7
155.03381	3.3
163.03952	2.0
164.04701	4.5
165.05434	1.6
169.73099	1.2
173.04489	18.3
175.07767	1.2
179.07054	5.4
181.12213	1.6
191.03453	4.6
191.05522	24.6
192.04178	2.1
192.05844	1.8
193.04970	2.1
207.06584	1.3
223.13322	1.5
225.11267	2.9
234.91924	1.4
241.14421	7.2
285.13440	38.5
285.16705	2.9
286.13773	2.6
308.72339	1.3
399.16663	2.8
415.10352	1.7
459.12762	1.6
459.18402	27.7
460.19275	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
59.01252	18.0
69.89401	6.2
71.01259	24.6
72.99159	6.4
73.02823	52.8
74.03183	1.4
83.73646	1.2
84.43529	1.2
85.02829	2.4
87.00755	6.6
89.02327	18.8
99.00770	11.6
101.02311	7.4
113.02355	2.3
115.00255	3.2
117.01830	100.0
118.02158	2.5
118.05000	2.9
119.03379	2.6
129.01892	2.6
131.03404	2.6
147.02902	8.4
147.06523	4.8
149.04431	9.4
179.05510	3.0
191.05560	2.5
201.55792	1.4
288.75497	1.5
341.10751	5.3
356.14645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28328	0.6
59.01241	3.0
64.12035	0.6
71.01260	1.1
75.34774	0.6
78.95779	1.1
87.00768	0.8
89.02324	2.0
89.94019	0.7
92.54256	0.7
98.20660	1.6
106.41426	0.7
119.03380	0.7
119.05138	0.7
131.66641	0.7
136.66776	0.6
155.31111	0.6
179.05499	2.8
189.12779	1.6
205.15921	2.5
207.17476	6.8
226.55530	0.7
277.21735	31.6
278.22070	4.3
397.31061	1.9
409.33942	1.0
413.34241	6.1
414.34656	1.2
441.33780	0.8
456.29166	1.2
456.35666	28.4
457.36346	100.0
458.35736	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	1.4
60.52402	0.7
67.01769	1.7
68.99697	2.5
69.03317	1.0
71.01257	6.0
73.02812	1.3
75.00730	0.8
79.05404	1.8
83.01220	0.8
83.04894	0.9
83.27250	0.8
85.02831	4.1
87.00742	5.6
87.04393	3.7
89.02306	2.8
89.05966	1.2
91.05384	7.6
93.03339	11.6
95.04901	4.4
99.00761	2.1
99.04401	3.9
101.02325	3.6
102.04628	1.3
103.05428	5.1
105.03343	10.1
107.04929	0.9
108.02064	3.9
111.00767	1.2
111.04392	2.7
113.02341	2.8
119.03461	1.4
119.04940	11.8
120.05288	1.4
121.02849	37.3
122.03117	0.9
122.03654	1.1
123.04435	1.4
123.92395	0.9
129.03336	2.1
135.04462	2.0
137.02347	8.7
139.03894	3.4
145.02847	2.2
146.03630	2.1
147.04420	90.9
148.05223	10.0
149.02348	21.7
149.05983	28.5
149.07184	1.6
150.03070	3.6
150.06403	2.1
151.03912	1.1
155.03400	2.8
159.04384	1.4
161.04495	1.8
163.03947	2.2
164.04698	24.6
165.05460	9.5
173.04475	26.4
174.03122	1.1
174.04906	1.1
175.03947	1.4
177.01840	1.4
177.05406	1.1
179.03453	1.0
179.07037	22.0
187.03981	1.2
189.05492	1.4
191.03439	28.5
191.05482	4.2
192.04178	13.8
193.04993	5.6
197.06166	0.9
207.06531	8.7
237.07603	1.0
255.06416	0.9
285.13727	2.0
285.17053	9.6
327.17117	1.0
332.32617	0.9
371.11484	8.1
371.15799	1.4
372.11636	1.0
399.16403	2.1
415.10361	13.8
416.10403	1.6
441.12619	1.2
459.12811	1.7
459.17804	1.8
459.22357	3.7
460.23077	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	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.5
59.01249	23.8
65.46433	1.3
68.21536	1.3
68.69714	1.4
68.99675	3.6
69.03325	1.7
71.01254	34.6
72.99184	9.0
73.02823	2.6
75.00745	19.7
83.01255	2.1
85.02823	35.8
86.03191	1.6
87.00753	13.7
89.02329	8.2
90.31683	1.3
93.03317	4.1
94.83444	1.4
95.01263	7.2
99.00758	12.1
99.04374	2.0
101.02322	3.0
103.00254	3.4
108.02068	2.2
109.02830	3.5
111.00760	1.9
112.01542	1.5
113.02332	45.9
115.00285	3.1
117.01847	3.1
119.01219	1.5
119.04954	1.6
121.02809	7.5
123.04386	3.2
124.01535	4.9
127.03855	1.8
129.01823	4.4
133.02838	4.1
134.03645	1.6
135.00790	1.9
135.04385	2.1
136.05173	3.2
137.02325	4.0
137.05977	4.1
139.03897	6.2
147.04431	4.6
148.01508	3.8
149.02304	3.5
149.06003	2.7
150.03128	11.8
151.03937	2.9
152.01018	1.6
153.01761	2.4
153.05510	3.4
159.00731	1.6
161.02362	2.2
163.03925	2.7
164.04503	1.9
165.05525	2.5
173.04494	2.3
175.02440	3.1
176.01080	10.5
177.01787	5.5
190.99850	3.2
191.01883	1.5
191.03493	8.7
191.05510	6.5
192.00627	1.9
193.04994	2.8
207.04892	1.6
208.03688	1.6
209.04486	35.8
210.04837	2.2
231.05191	1.8
249.06137	59.5
250.06564	3.5
267.07196	100.0
268.07620	5.1
390.27597	1.3
403.88754	1.6
413.09232	1.5
423.49017	1.4
459.11301	31.3
459.17545	2.2
460.11850	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	457.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88964	1.0
57.03314	7.9
59.01257	7.6
62.88749	1.0
64.49799	1.0
65.03830	2.1
66.18468	0.9
70.54703	2.5
71.01244	3.4
72.38597	0.9
72.99222	1.2
73.02819	2.8
74.17947	1.0
79.07915	1.1
83.04898	6.8
85.02835	3.1
85.24708	1.1
87.00748	12.1
89.02332	2.5
93.03336	2.8
94.39198	1.1
95.01258	1.2
95.04918	3.0
97.02821	1.3
99.00777	3.2
101.02311	4.4
109.02841	3.2
109.06425	1.1
111.04408	4.6
111.08032	2.6
113.02336	1.9
117.03336	1.4
117.42031	1.0
119.04894	13.1
119.08531	2.0
121.06476	4.9
123.08041	24.5
124.05180	2.4
134.03644	3.7
137.09622	4.1
139.07550	3.0
145.02800	5.1
145.10139	2.9
149.05980	1.5
151.07603	2.2
153.09131	3.1
161.04468	7.5
163.03923	7.8
163.11212	1.2
169.10138	1.9
171.11696	26.0
173.04498	2.1
175.03938	1.5
175.11230	1.5
179.14485	1.3
189.09071	2.2
189.12796	6.3
191.05579	4.6
193.05162	2.3
193.07083	18.8
201.12779	8.2
202.13115	1.3
207.13797	6.5
219.13806	3.3
237.14925	48.4
238.15257	5.0
263.12891	14.9
281.13928	100.0
282.14252	7.6
457.13208	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
58.00447	0.7
59.01247	8.6
63.79205	0.7
67.01752	1.6
67.08634	0.7
68.79103	0.8
69.03307	0.9
69.20938	1.9
69.21339	7.4
71.01251	12.5
72.99197	1.4
73.02833	3.8
75.00752	0.9
77.79368	0.8
83.01263	1.2
85.02842	5.8
87.00751	5.6
89.02315	7.6
93.03332	4.6
95.01254	1.6
97.02841	1.3
99.00760	5.5
101.02315	7.1
109.02841	1.1
113.02342	5.9
117.03339	9.0
119.04914	76.5
120.05225	2.9
121.02844	3.1
122.46178	0.8
124.01568	0.8
125.02325	2.2
127.03862	0.7
129.01808	0.9
131.03464	1.1
132.05690	2.4
133.06441	1.9
134.03618	14.0
136.05112	0.9
137.02339	1.9
145.02850	53.2
146.03171	2.4
147.04411	1.1
148.01550	3.1
148.05101	0.8
149.04486	1.1
149.05971	2.6
153.05490	3.0
153.52107	0.8
160.01620	1.5
161.05984	6.5
163.03915	100.0
164.04254	6.4
173.04538	4.3
173.05812	1.2
175.03891	3.3
177.05412	1.1
179.07065	0.9
180.02560	0.8
187.03944	1.4
191.05502	7.5
191.07072	14.0
192.07506	0.9
193.04987	12.0
205.05017	7.8
205.41811	0.8
235.06078	32.1
236.06337	1.8
240.04112	0.9
249.06090	2.7
263.07709	0.9
277.07266	1.1
281.08801	7.2
285.97964	0.9
295.08218	44.6
296.08643	2.2
304.30923	0.9
337.09277	19.0
338.09680	2.4
367.10339	12.7
368.10651	1.5
397.11545	4.8
457.13049	4.5
458.11157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79348	0.6
57.03329	2.1
58.00452	0.6
59.01250	9.6
67.01768	1.5
68.99700	3.0
69.03340	1.8
71.01256	15.3
72.99182	1.2
73.02817	1.1
73.64477	0.7
75.00743	0.6
83.01270	1.2
85.02827	15.7
85.99986	0.8
86.03197	0.8
87.00762	8.2
89.02301	3.6
89.03860	2.4
91.03926	1.2
93.03345	2.4
95.01271	2.4
97.02863	1.0
99.00764	1.3
99.04404	0.9
101.02328	2.4
103.00288	1.2
103.03891	0.6
109.02864	0.7
111.00779	3.0
111.04423	0.8
112.01508	0.8
113.02338	19.7
117.03352	9.4
119.03408	0.7
119.04929	1.7
125.02359	0.6
127.03881	0.7
129.01852	1.7
131.03456	1.0
132.02071	1.3
133.02869	1.9
134.03639	100.0
135.03883	3.9
135.41125	0.7
137.02306	3.2
139.00256	0.9
143.03401	0.8
147.04454	1.0
148.05217	0.7
149.02351	1.6
149.06013	9.5
150.06306	0.6
157.01384	0.6
159.04552	0.7
160.00587	0.6
160.01608	6.0
161.02344	2.8
163.03960	1.4
165.16132	0.6
173.04515	3.0
175.03914	11.6
177.01904	0.9
179.03409	2.3
191.05536	5.2
193.04999	71.8
194.05342	4.2
205.07076	1.3
215.07080	0.7
231.05051	1.2
249.06178	2.9
252.06441	1.3
253.07144	0.9
263.07718	14.0
264.08139	1.0
267.08737	2.4
277.07120	1.6
281.08792	35.8
282.09207	2.9
381.11920	7.2
405.81396	0.7
425.10876	6.6
426.11465	0.9
457.13361	39.2
458.13647	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.9
61.13997	1.3
63.69204	1.2
71.01244	13.9
71.29465	3.0
73.02808	6.3
75.77329	1.4
85.02810	3.8
87.00740	1.7
89.02309	6.0
93.03326	4.3
95.01296	2.1
99.00745	6.2
101.02313	9.0
113.02312	1.8
116.05284	1.5
117.03364	10.0
119.04919	94.7
120.05245	4.1
121.02837	2.2
125.02330	1.5
132.05696	2.2
133.06430	2.3
134.03613	4.5
145.02855	61.0
146.03168	3.1
155.81520	1.3
157.09599	1.4
161.05984	7.6
163.03918	100.0
164.04268	5.7
173.04398	1.9
187.03925	2.8
191.05545	3.4
191.07059	17.8
193.05074	1.5
205.05029	9.8
209.20894	1.6
235.06091	31.7
241.19936	1.7
295.05087	2.3
295.08249	41.0
296.08646	3.7
337.09271	19.1
338.09296	1.5
367.10361	15.6
397.11224	3.1
452.04633	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.6
57.03318	2.2
59.01254	7.0
67.01763	2.0
68.99676	3.1
69.03331	1.9
71.01255	13.2
71.05983	0.6
71.06329	0.9
72.99165	0.9
73.02818	1.0
77.87373	0.4
78.49522	0.5
83.01255	1.4
85.01377	0.4
85.02827	14.3
85.99986	0.8
87.00755	6.3
89.02328	2.1
89.03852	1.5
91.03892	2.4
93.03352	0.4
94.09088	0.5
95.01269	3.5
95.36787	0.5
97.02818	0.8
99.00752	0.6
101.02332	1.4
103.00267	1.0
106.04139	0.8
111.00774	2.1
111.04362	0.5
112.01582	0.6
113.02338	17.9
117.03354	9.3
127.03900	0.6
129.01816	2.5
131.03415	0.7
132.02087	0.9
133.02856	1.7
134.03635	100.0
135.00824	0.5
135.04042	3.2
137.02336	0.9
139.00294	1.4
147.04416	0.6
148.05228	0.8
149.05995	10.8
150.06323	1.0
157.01375	0.5
160.01581	6.8
161.02365	2.4
162.02879	0.4
173.04482	0.6
175.03929	10.8
177.01863	0.9
178.02521	0.7
179.03439	1.2
191.05557	1.3
193.04997	74.1
194.05312	4.2
205.07184	1.2
213.88976	0.5
231.05089	1.0
249.06169	2.7
252.06322	1.5
253.07089	1.4
263.07712	15.7
263.10513	0.8
264.08163	1.2
267.08716	3.0
281.08789	35.0
282.09167	1.6
357.01105	0.5
381.11923	5.4
382.12338	0.7
425.10837	5.2
457.13492	32.6
458.13895	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.82760	0.2
55.91678	0.2
62.27056	0.2
69.46525	1.5
69.46941	0.5
76.98932	0.2
78.95775	1.0
87.98071	0.2
95.85185	0.3
106.65630	0.2
119.95343	0.2
152.99467	1.3
293.11188	0.4
315.10516	0.7
337.10172	0.3
407.32855	1.6
455.35297	100.0
456.35645	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	456.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40149	0.2
54.98888	0.3
57.03341	0.3
59.01254	1.9
61.98705	100.0
71.01276	0.9
71.53510	0.3
72.99181	0.4
73.02828	0.4
85.02824	0.3
87.00759	1.3
88.98691	0.5
89.02333	0.3
93.03335	0.7
101.02322	0.3
107.53935	0.3
108.02059	0.3
113.02301	0.4
117.03363	0.3
119.04945	0.4
120.33425	0.2
133.02806	0.3
133.04976	0.4
134.03648	0.6
135.04453	0.3
137.02388	0.5
145.02928	0.4
147.04417	0.6
149.05989	0.5
160.01550	1.6
163.03874	0.3
164.04640	0.3
173.04489	1.5
175.03925	2.0
191.05568	1.0
193.05049	1.0
195.26176	0.3
252.04227	1.2
253.05098	0.6
283.15533	0.3
317.42154	0.3
339.08801	0.3
394.51126	0.3
444.26538	0.3
457.11713	0.8
457.17184	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	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76724	0.5
59.01244	1.5
61.18668	0.4
71.01263	1.3
71.53043	0.6
72.99167	0.5
75.00739	0.8
78.95775	89.8
87.00771	0.5
89.02338	0.6
105.99044	0.6
110.98413	100.0
112.98707	0.9
115.00244	0.7
129.59227	0.6
145.01308	0.7
220.36690	0.6
248.72594	0.6
337.87628	0.5
453.10489	6.3
454.10962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
58.00459	0.8
59.01252	10.3
61.98709	4.2
67.01751	3.1
69.03333	1.6
71.01260	8.6
71.53885	1.4
72.99202	1.0
73.02819	4.3
81.03326	1.7
83.01274	1.1
83.04890	2.6
85.02836	4.8
87.00760	8.2
89.02324	3.4
93.03336	27.2
94.03674	1.0
95.01275	1.2
97.02818	1.8
97.06439	0.9
99.00747	2.6
101.02337	2.9
108.02059	13.2
109.02885	4.7
111.00732	1.8
111.04408	16.1
113.02314	2.3
119.04921	1.3
121.02849	1.9
122.03642	2.2
123.00758	0.9
125.02348	0.7
127.03894	2.8
129.01819	2.6
135.04391	1.5
137.02367	5.1
137.06012	1.0
139.00273	1.1
139.07510	1.5
147.04422	68.9
148.04781	4.6
149.05931	1.0
150.03163	0.7
152.01059	18.2
153.01854	3.7
155.03404	19.1
156.03725	0.9
159.04454	1.9
161.02361	1.1
162.59508	0.7
163.03925	1.8
168.04160	0.8
173.04475	100.0
174.04785	3.6
187.11189	1.3
191.05516	4.2
205.06250	0.8
205.12289	2.1
225.05681	0.8
235.13402	1.4
246.85033	0.9
261.06189	1.3
271.06094	1.4
279.12320	8.4
280.12808	0.9
286.08524	1.0
297.07498	1.0
301.10867	0.9
305.08771	38.1
306.09158	2.4
327.12241	1.1
341.59503	0.9
343.11719	1.0
345.09659	0.8
371.11102	1.4
372.07657	1.0
387.10413	1.1
411.97949	0.8
423.09030	1.4
429.10339	2.8
437.76083	1.1
447.11572	5.1
453.09988	3.4
453.14349	1.5
453.23434	1.8
453.60748	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	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.98127	0.2
59.01247	0.3
62.96280	0.2
68.60458	0.3
78.95779	21.7
96.96835	0.5
122.00038	0.9
129.09570	0.3
140.01082	5.2
152.99477	2.5
165.78163	0.3
166.02676	0.3
171.00529	0.9
196.03732	9.1
214.04781	2.0
214.84261	0.2
229.29019	0.3
254.54938	0.3
255.23270	100.0
256.23615	9.6
256.26303	0.4
286.17581	0.2
306.29132	0.3
452.27817	26.5
453.28180	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	452.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03323	8.2
59.01253	100.0
60.01581	6.0
61.98715	2.4
69.03349	1.7
71.01255	25.4
71.08119	2.0
71.89305	0.8
72.01603	1.2
72.99173	2.6
73.02816	9.3
75.00737	1.9
81.03324	1.2
83.01263	3.1
85.02823	8.1
87.00753	97.7
88.01096	2.1
89.02320	20.3
90.02644	1.5
93.03336	2.1
95.01271	4.4
97.02834	2.5
99.00790	3.9
101.02327	12.5
108.02061	1.3
109.02835	17.9
110.03133	0.9
111.00723	0.8
113.02319	8.1
115.03893	1.3
119.03399	4.1
119.04926	1.7
121.02871	1.3
123.00768	8.8
123.04405	0.8
125.02357	4.5
127.03884	0.9
130.99738	1.6
131.03461	1.5
134.03712	1.0
137.02344	85.0
138.02669	4.5
139.03963	0.9
143.03384	1.4
145.02721	0.9
147.04427	0.9
149.04393	1.0
159.04366	2.0
161.04477	6.0
161.05594	1.0
161.73782	0.8
162.04842	1.4
163.03908	1.2
173.04489	2.3
173.05862	0.8
178.21429	0.8
179.01950	0.9
179.03348	4.6
181.04890	1.0
191.05551	2.6
233.06708	2.8
260.05045	1.4
261.05905	1.4
261.55826	0.8
265.05276	1.2
265.44916	0.9
289.20175	0.9
305.04846	18.6
305.55035	4.6
342.07391	2.7
343.08066	1.3
355.09076	0.8
388.02402	1.0
390.08621	1.8
391.23352	22.7
392.23764	23.8
393.24023	1.3
406.56076	0.8
431.04059	2.2
451.10211	1.2
451.25082	1.6
452.11111	1.7
452.25830	3.2
453.20154	1.0
461.08841	4.3
462.09439	1.2
465.08350	3.4
475.06567	1.6
479.09830	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
58.00464	1.0
59.01251	100.0
59.98409	0.8
60.01595	0.8
61.98700	4.2
62.19832	0.8
69.29518	6.9
71.01250	17.6
72.99178	2.0
73.02818	2.2
73.06535	0.8
74.44186	0.7
75.00758	1.5
77.25760	0.7
83.01276	2.0
85.02830	5.4
87.00752	5.8
87.86057	0.8
89.02318	21.4
89.02840	1.6
93.03337	1.9
95.01271	1.6
97.02864	0.9
97.06513	0.8
99.00754	2.9
101.02327	13.1
108.02077	3.4
109.02852	6.5
111.00768	1.3
113.02327	9.3
119.03397	10.4
119.04914	8.5
121.02838	3.6
123.00762	1.6
123.04401	2.6
125.02331	2.4
128.01042	6.6
131.03366	1.4
133.02873	0.8
134.03624	1.5
135.04427	3.1
137.02345	2.8
137.05928	0.9
139.03920	0.9
143.03419	2.3
145.02859	1.1
147.04410	1.2
148.01511	1.3
149.02339	3.4
149.04460	1.3
149.05980	1.9
150.02946	0.9
151.03896	2.4
152.01094	4.7
153.01846	3.6
160.00035	1.0
161.02379	2.4
161.04434	5.4
163.03932	7.2
165.05518	2.3
175.03867	1.1
177.30859	0.8
179.03450	1.4
179.05522	5.5
183.04340	0.8
191.03409	2.7
191.05501	1.5
193.04985	2.0
195.06587	1.1
209.04514	6.2
221.04518	2.0
239.05643	1.6
256.07162	0.9
257.43851	0.8
259.06116	3.7
259.09833	1.0
269.04526	0.9
271.06177	1.2
289.07382	1.2
289.10934	2.6
310.91486	0.9
313.07092	1.4
316.71970	0.9
331.08258	8.2
335.35223	0.8
361.09262	2.9
391.18558	1.4
391.23413	22.9
392.23822	2.3
407.09659	1.5
421.11237	1.8
451.08270	1.8
451.13303	1.4
451.30014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03321	2.1
59.01253	100.0
59.11873	0.6
60.01594	1.4
68.14287	0.5
71.01255	15.6
71.39581	0.8
72.99195	0.9
73.02824	5.1
82.89335	0.6
83.01274	1.9
85.02834	5.9
87.00752	16.1
89.02317	12.9
95.01254	1.3
97.02808	1.0
99.00774	2.0
101.02325	13.8
109.02819	3.3
113.02329	6.5
119.03390	5.2
123.00810	1.0
125.02361	1.4
131.03470	1.1
133.41512	0.6
137.02348	14.2
143.03479	1.1
159.02945	1.1
161.02386	0.8
161.04474	9.8
162.20659	0.6
179.05556	2.0
206.46556	0.6
229.18221	0.6
233.06779	0.7
260.17645	0.6
305.04889	3.6
350.68524	0.5
391.23380	54.4
392.23734	7.3
451.25153	0.9
451.30124	1.0
479.09766	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	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
58.00464	1.0
59.01251	100.0
59.98409	0.8
60.01595	0.8
61.98700	4.2
62.19832	0.8
69.29518	6.9
71.01250	17.6
72.99178	2.0
73.02818	2.2
73.06535	0.8
74.44186	0.7
75.00758	1.5
77.25760	0.7
83.01276	2.0
85.02830	5.4
87.00752	5.8
87.86057	0.8
89.02318	21.4
89.02840	1.6
93.03337	1.9
95.01271	1.6
97.02864	0.9
97.06513	0.8
99.00754	2.9
101.02327	13.1
108.02077	3.4
109.02852	6.5
111.00768	1.3
113.02327	9.3
119.03397	10.4
119.04914	8.5
121.02838	3.6
123.00762	1.6
123.04401	2.6
125.02331	2.4
128.01042	6.6
131.03366	1.4
133.02873	0.8
134.03624	1.5
135.04427	3.1
137.02345	2.8
137.05928	0.9
139.03920	0.9
143.03419	2.3
145.02859	1.1
147.04410	1.2
148.01511	1.3
149.02339	3.4
149.04460	1.3
149.05980	1.9
150.02946	0.9
151.03896	2.4
152.01094	4.7
153.01846	3.6
160.00035	1.0
161.02379	2.4
161.04434	5.4
163.03932	7.2
165.05518	2.3
175.03867	1.1
177.30859	0.8
179.03450	1.4
179.05522	5.5
183.04340	0.8
191.03409	2.7
191.05501	1.5
193.04985	2.0
195.06587	1.1
209.04514	6.2
221.04518	2.0
239.05643	1.6
256.07162	0.9
257.43851	0.8
259.06116	3.7
259.09833	1.0
269.04526	0.9
271.06177	1.2
289.07382	1.2
289.10934	2.6
310.91486	0.9
313.07092	1.4
316.71970	0.9
331.08258	8.2
335.35223	0.8
361.09262	2.9
391.18558	1.4
391.23413	22.9
392.23822	2.3
407.09659	1.5
421.11237	1.8
451.08270	1.8
451.13303	1.4
451.30014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91478	0.6
59.01252	100.0
60.01588	7.9
61.01676	2.9
61.42351	0.5
61.98703	42.7
71.01257	5.5
71.53896	1.0
72.99190	0.9
73.02817	2.5
75.00767	0.6
77.53204	0.4
83.01278	0.9
85.02832	2.1
87.00761	2.8
89.02354	2.8
93.03362	0.7
97.02792	0.5
99.00763	1.1
99.74657	0.5
101.02322	4.9
102.02686	0.6
113.02365	2.1
118.05516	0.5
119.03400	1.3
119.04925	1.0
121.02808	0.7
123.04463	0.9
125.02339	1.7
135.04402	2.7
136.04793	1.6
137.02376	0.9
145.02849	0.7
149.02303	0.7
161.04477	3.0
162.04857	1.0
167.03435	2.4
171.08087	0.5
173.04514	1.2
187.07578	1.1
188.07959	0.7
191.05600	1.4
192.05901	0.7
193.01387	1.7
194.01718	1.0
223.43924	0.5
232.10669	0.6
275.09225	1.0
276.09668	1.8
330.06952	3.4
331.07458	0.6
349.18695	0.6
389.22473	0.5
390.22104	4.4
391.23520	1.1
451.25418	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	451.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03279	1.7
55.71232	1.8
56.32981	1.9
59.01236	8.4
59.18832	2.0
69.38978	10.6
69.39401	4.8
71.01244	8.8
73.02826	4.8
85.02824	3.1
87.04422	2.1
89.02296	4.1
95.01269	2.9
98.66486	2.1
99.00747	9.1
101.02314	2.7
109.02837	9.2
113.02317	3.0
121.02847	3.2
123.04398	27.7
132.15668	2.1
135.04417	27.4
137.02292	2.4
137.06009	10.7
147.04398	4.7
148.01572	11.2
149.02232	3.5
149.04430	2.5
149.06006	3.8
150.03120	3.6
151.03902	23.7
161.02359	39.5
162.02957	3.7
163.03928	47.7
165.05473	5.9
167.03415	6.8
167.59775	1.9
170.87756	1.9
175.03926	4.0
177.05423	2.1
179.03464	9.3
181.04942	9.7
191.03452	44.6
191.05406	5.2
193.05006	5.5
203.03392	4.6
205.04987	2.3
207.02888	2.1
209.04512	87.5
210.04803	4.4
221.04510	26.0
233.04378	2.1
239.05597	31.0
249.06032	2.9
265.93753	1.9
267.06952	3.2
270.88776	1.9
313.07147	11.7
331.08215	100.0
332.08450	8.0
343.08221	4.2
361.09271	28.1
362.09525	3.9
373.09082	3.8
451.12326	16.2
451.18198	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	451.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	9.9
59.01260	29.4
59.01520	4.7
69.03322	11.1
71.01254	5.3
71.04892	4.5
73.75343	3.1
83.04909	6.8
87.00755	24.9
88.53214	4.1
97.06457	5.3
98.90852	4.0
101.02345	4.2
123.04444	20.1
127.07558	5.9
130.99789	5.0
139.83365	3.8
145.02858	5.0
147.04417	7.6
149.05986	6.8
156.51514	3.7
158.07246	6.6
162.37476	3.8
163.03839	4.0
173.05965	5.7
175.10979	3.9
185.06012	9.1
185.42970	3.9
186.06769	16.6
187.07521	10.9
189.05499	8.0
191.14185	6.1
193.04942	6.2
201.09073	5.3
202.06258	5.5
203.07040	7.7
204.07802	16.8
229.08615	8.8
231.06424	5.2
243.17499	35.1
249.22105	8.6
255.05040	7.6
257.19174	5.6
259.20670	39.8
260.21127	5.0
275.90222	3.7
277.21707	41.6
292.09552	10.1
303.19647	57.3
304.19989	7.2
321.20712	100.0
322.20917	5.1
345.20694	6.2
347.18597	17.0
348.19095	4.0
363.13434	4.0
363.21725	89.9
364.22122	15.8
365.19800	32.8
389.19595	5.4
407.20721	92.7
408.21127	12.6
433.15106	14.9
451.16107	61.1
452.16464	10.7
476.86441	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	450.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25423	2.6
59.01256	25.5
61.98705	20.2
71.01259	9.6
71.53106	3.7
72.99193	4.7
73.02821	5.6
74.78041	2.5
77.25447	2.3
84.02083	3.5
85.02822	12.4
87.00766	6.8
89.02322	6.9
93.03355	3.4
98.85926	3.1
101.02374	3.3
102.05498	16.8
109.02842	4.5
113.02297	2.9
121.02885	3.3
125.02354	5.7
128.01025	5.4
135.04410	6.2
136.04752	3.9
137.02383	4.0
147.04489	2.8
161.02365	2.8
167.03345	5.3
173.04611	5.5
173.06003	42.9
174.06421	4.4
177.01889	3.3
183.04446	15.5
183.11742	2.9
186.06784	50.5
187.07561	28.6
197.06047	11.8
198.06651	4.6
199.07458	4.0
199.11295	6.5
201.09132	5.2
209.04468	3.3
209.09669	9.8
212.08492	3.2
215.14336	5.6
220.11063	4.8
227.10733	90.5
228.11108	8.2
259.13373	38.5
260.13736	4.4
271.09772	46.1
272.09988	3.0
303.12387	41.0
304.12677	3.3
329.07086	3.7
330.07181	8.7
331.08307	3.7
334.76987	2.6
347.11353	100.0
348.11670	9.9
370.09100	7.1
387.16608	6.1
412.48523	2.8
450.11252	2.6
451.12863	4.0
451.18100	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	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07869	0.3
56.99366	0.2
57.00860	0.3
59.01251	2.6
61.98703	0.3
63.76258	0.3
71.01222	0.4
78.95777	5.0
91.56409	0.3
110.98421	3.6
134.86394	0.3
152.99461	0.5
166.99841	0.3
167.01059	1.6
176.88387	0.3
185.02110	3.1
206.36687	0.3
214.54359	0.3
220.54778	0.3
281.24850	100.0
282.25192	10.1
449.26794	5.7
449.32596	0.4
450.26974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
66.21328	0.2
70.29180	0.5
70.29543	0.5
74.44848	0.2
78.95779	4.8
95.50329	0.2
110.98421	3.8
152.99559	0.3
167.01073	2.2
185.02122	3.4
281.24850	100.0
282.25198	12.1
359.06497	0.2
449.26712	6.6
450.27054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34204	0.4
59.01254	4.0
61.21867	0.4
62.96283	24.7
70.65744	1.1
78.95778	62.8
80.97344	33.7
80.98048	0.6
85.06280	0.4
87.00745	2.3
99.40915	0.3
104.40926	0.4
147.04410	0.6
148.88853	0.5
148.98805	0.9
148.99998	16.8
150.00403	0.4
151.01550	0.6
152.74991	0.4
179.01033	1.3
179.43700	0.4
205.15935	9.4
205.17699	0.7
206.16295	1.0
220.89735	0.4
221.00114	0.4
242.98264	6.7
285.12637	1.9
355.16815	19.2
356.17203	1.8
385.17838	22.3
386.18073	3.0
419.04266	0.5
419.13351	0.6
449.14938	100.0
450.15317	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.34204	0.4
59.01254	4.0
61.21867	0.4
62.96283	24.7
70.65744	1.1
78.95778	62.8
80.97344	33.7
80.98048	0.6
85.06280	0.4
87.00745	2.3
99.40915	0.3
104.40926	0.4
147.04410	0.6
148.88853	0.5
148.98805	0.9
148.99998	16.8
150.00403	0.4
151.01550	0.6
152.74991	0.4
179.01033	1.3
179.43700	0.4
205.15935	9.4
205.17699	0.7
206.16295	1.0
220.89735	0.4
221.00114	0.4
242.98264	6.7
285.12637	1.9
355.16815	19.2
356.17203	1.8
385.17838	22.3
386.18073	3.0
419.04266	0.5
419.13351	0.6
449.14938	100.0
450.15317	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03336	0.7
58.00474	0.8
59.01252	100.0
60.01589	1.3
61.98716	0.8
64.22594	0.5
69.03332	0.6
71.01255	13.6
71.19601	0.4
71.29733	0.8
72.99194	0.9
73.02821	2.5
83.01276	1.0
85.02831	3.4
87.00759	1.5
89.02318	12.5
93.03351	1.0
94.45963	0.4
95.01283	1.4
95.29506	0.5
95.79539	0.4
99.00784	1.4
101.02324	8.3
113.02333	5.6
119.03379	6.4
119.04899	1.0
125.02381	0.9
126.20898	0.5
135.04411	0.6
137.02396	0.6
143.03413	1.5
149.04469	0.8
153.01897	0.6
159.02985	0.7
161.04468	5.0
162.04764	0.6
163.00360	0.6
173.04509	1.2
176.60278	0.5
179.05530	3.4
181.01265	0.5
183.13719	0.5
187.07663	0.7
191.05608	1.7
199.15620	0.5
223.24332	0.5
227.16476	1.5
231.10492	0.6
275.09244	1.0
329.06732	1.0
348.67572	0.5
389.21780	9.0
390.22272	1.4
449.10864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03317	0.9
59.01250	20.0
60.01563	0.6
61.98711	3.3
66.06787	0.3
67.01763	1.4
69.03316	2.0
69.59069	0.7
69.59475	1.6
71.01252	6.5
72.99162	1.0
73.02837	2.3
74.44955	0.4
75.00726	0.6
81.00815	0.3
81.03329	1.1
81.61890	0.4
83.01270	0.9
83.04893	1.6
85.02824	12.1
87.00748	12.7
89.02312	3.3
89.08752	0.3
93.03337	10.4
93.35656	0.4
95.01275	0.4
96.95869	1.7
97.02846	0.6
97.06412	0.3
98.20586	0.3
99.00757	1.5
99.04387	0.8
101.02337	3.1
105.03310	0.4
107.04929	0.4
108.02116	0.8
109.02842	3.1
111.00775	0.8
111.04401	5.0
112.60847	0.4
113.02331	2.2
119.03397	0.8
119.04903	2.8
121.02854	0.7
122.03675	0.5
123.04440	2.6
125.02374	0.9
127.03922	2.7
129.01877	0.8
130.04170	0.6
130.99744	1.4
133.02858	0.6
134.03645	0.9
135.04410	2.3
137.02318	2.1
143.03374	0.8
143.08499	0.4
146.03606	2.2
147.04384	0.5
149.02333	0.7
149.04855	0.4
149.05969	3.1
149.44650	0.4
151.07497	0.9
152.01044	0.6
155.03387	3.7
158.03632	1.5
159.04420	6.3
159.08006	0.6
160.05165	0.6
161.02377	0.4
161.04488	1.4
161.05968	0.9
163.03949	1.2
171.02898	0.5
172.05214	7.6
173.04471	14.6
173.06003	10.4
174.03191	0.6
174.04790	0.7
174.06665	1.5
175.03899	1.1
175.07599	1.3
176.07899	0.5
177.05493	0.4
179.05580	0.4
182.03629	0.8
183.04381	1.8
184.05177	1.3
185.05984	0.6
185.09619	0.8
187.03996	6.5
187.07571	53.9
188.04593	0.8
188.07962	3.9
189.09038	0.7
191.05539	100.0
192.05884	4.4
193.01323	0.8
193.04999	1.0
195.08124	0.6
197.05966	1.5
198.06728	0.7
199.03935	0.9
199.07715	0.5
200.04715	3.5
201.05492	9.8
201.09254	1.8
202.06277	20.5
203.06770	2.0
203.10712	2.5
204.04185	2.2
211.07593	1.6
213.09151	15.1
213.11171	0.8
214.09509	1.4
215.07091	18.7
216.07687	2.9
227.03514	1.3
228.04227	1.1
229.08665	8.6
230.09122	1.1
231.06754	7.2
231.10217	32.9
232.03745	1.3
232.10503	2.4
247.09756	0.8
254.04224	0.5
257.08182	10.5
258.08521	0.8
275.09265	53.6
276.09540	4.8
277.36246	0.4
287.15030	0.4
329.06766	1.7
329.10199	0.5
332.13647	0.4
389.22003	2.3
405.11816	0.4
431.09769	0.4
449.15176	7.6
449.20413	1.3
449.27637	1.4
450.05811	0.4
450.15073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01252	3.7
65.00204	1.5
69.03304	1.4
71.01234	1.6
72.46609	1.2
73.02839	1.3
79.75272	0.9
81.03333	8.2
81.39951	1.0
81.91144	1.0
83.01276	3.1
93.03333	4.7
95.01250	2.2
95.04906	4.6
97.02827	6.7
98.19861	3.1
99.04372	5.5
101.02325	1.4
102.53466	1.0
107.01296	1.7
107.04908	1.8
109.02825	3.1
111.04420	2.1
113.02291	1.2
121.02842	2.1
123.00760	2.5
123.04411	10.4
125.02338	25.5
131.04875	1.0
133.02873	5.0
135.04419	3.9
137.02403	8.1
138.03185	1.1
139.03885	2.8
142.23547	1.0
147.62100	1.0
149.02357	3.8
151.00316	2.9
151.03987	2.1
152.01004	2.2
153.01825	2.8
155.03418	1.4
157.06567	1.1
159.04379	1.3
163.00188	1.3
165.01831	6.4
166.02618	11.0
167.03409	33.4
168.03763	1.8
173.06046	1.3
175.03952	2.3
176.01021	1.7
177.01872	3.4
177.05511	3.6
178.99834	1.6
179.03426	3.3
190.02625	1.5
191.03392	1.1
191.05569	3.5
193.01338	4.8
194.02170	4.9
197.04460	6.9
199.07706	1.2
201.05414	4.8
203.03426	5.1
207.02908	1.0
209.04561	1.3
215.07059	3.3
221.00848	2.4
223.02365	1.7
224.03224	1.6
229.08656	1.1
231.74335	1.1
243.06607	4.0
255.06578	2.3
257.08170	1.4
259.06110	8.7
267.06998	1.2
271.06332	1.8
283.06168	2.4
285.07657	2.5
287.05670	3.8
299.05673	2.0
301.07172	30.6
302.07541	3.5
311.05527	3.8
313.07190	2.3
315.08786	1.6
329.06647	100.0
330.07062	9.5
331.08218	9.8
341.06680	2.5
359.07690	34.4
360.08096	5.3
371.07953	1.6
413.08963	1.0
431.09732	5.4
441.64188	1.1
449.04755	2.1
449.10843	25.3
449.17001	1.6
450.11221	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.1
59.01249	31.3
60.01579	1.5
60.81493	1.4
65.00200	10.9
65.03844	1.8
69.03330	2.8
70.40258	5.1
71.01252	5.0
72.99167	1.7
79.01759	1.5
81.03307	7.1
83.01256	14.6
83.50216	1.3
85.02814	3.1
89.02311	3.7
91.61101	1.2
93.03333	6.0
95.01261	4.1
95.04898	1.9
97.02833	9.4
99.30083	1.3
101.02303	3.3
105.03306	2.5
107.01281	13.3
107.04845	2.1
109.02841	4.5
111.04405	2.0
113.02354	2.5
117.03337	2.8
119.03354	1.5
121.02840	11.1
122.78335	1.3
123.00825	2.2
123.04406	2.6
125.02347	100.0
126.02695	3.6
133.02849	3.5
134.03671	1.4
135.04422	93.7
136.04770	3.8
137.02335	7.1
139.03850	1.9
149.02376	13.5
151.00276	32.7
152.00986	3.1
153.01906	6.7
155.03380	1.9
158.03613	1.5
159.04408	2.5
161.02399	2.3
161.04439	2.2
163.00273	5.1
163.03917	2.1
164.01010	1.6
165.01875	9.7
167.03395	8.5
173.04483	2.0
173.05972	3.9
175.03979	1.4
176.01009	1.4
177.05492	3.2
178.99785	7.2
179.03430	4.1
179.57309	1.4
187.07545	1.8
191.05563	3.2
193.01360	44.5
194.01640	2.0
201.05542	3.0
215.07060	4.2
223.02448	11.9
225.05415	3.6
231.10187	2.1
241.04958	2.2
243.06570	4.0
259.03439	2.8
259.06125	46.2
260.06348	3.4
269.04553	47.1
270.04825	4.2
275.09351	6.5
287.05649	47.1
287.08389	0.9
288.05817	6.2
311.05521	2.7
328.23358	1.3
329.06662	96.7
330.06967	12.8
336.46646	1.4
342.05893	2.4
359.07724	21.7
360.08194	3.0
371.07935	2.6
380.48929	1.3
388.79507	1.3
389.21930	3.3
431.10019	1.8
449.10855	62.3
450.11160	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01249	9.0
60.01603	0.5
60.47950	0.3
61.98699	0.6
65.00185	2.8
67.01768	0.4
68.99668	0.4
69.44619	0.4
70.94305	0.4
71.01260	1.2
71.32204	0.5
73.02856	0.3
81.03337	1.2
82.08279	0.3
83.01255	2.7
85.02811	0.5
89.02313	1.8
89.59834	0.3
93.03336	1.5
94.24753	0.3
95.01266	0.7
95.04915	0.5
97.02836	2.0
99.00733	0.4
100.25742	0.3
101.02328	0.8
105.03333	1.2
107.01276	2.6
107.04882	0.7
109.02839	2.2
113.02310	1.2
119.03386	0.7
121.02848	3.2
123.00754	1.5
123.04395	1.2
125.02330	16.0
126.02651	0.5
134.03662	0.5
135.04408	47.8
136.04750	2.6
137.02336	2.7
147.00938	0.4
149.02341	5.4
151.00269	10.5
151.03828	0.4
152.00685	0.6
153.01833	0.8
155.03407	1.4
159.04396	0.7
161.02335	1.6
161.04430	0.5
163.00256	2.5
163.03909	0.5
164.01059	0.9
165.01830	6.0
166.02016	0.4
167.03410	5.6
170.36734	0.4
173.04446	0.4
175.04016	0.3
178.99710	1.7
179.03432	1.8
179.05547	0.4
190.99832	0.6
191.03366	0.4
191.05562	0.5
193.01347	50.2
194.01717	2.6
197.04506	1.9
201.05510	0.8
203.03387	0.4
205.01328	1.1
207.02931	0.8
208.22124	0.4
209.04460	0.5
211.02487	0.5
215.06964	0.5
219.02953	1.1
223.02423	11.7
224.02814	0.8
225.05650	0.3
233.04465	0.5
235.02702	0.5
243.06630	0.8
259.06088	8.1
260.06400	0.6
269.04510	8.3
270.04904	0.6
275.09241	1.5
287.05588	9.5
287.08646	0.7
288.05902	1.2
291.82333	0.4
295.04590	0.6
311.05603	0.8
313.05511	0.4
329.06644	100.0
330.06967	11.7
341.06689	0.7
359.07706	20.4
360.08005	2.3
371.07538	2.0
389.21664	1.2
395.07870	0.5
401.08929	0.5
413.08585	0.4
431.09598	0.9
449.10806	14.7
449.24002	0.6
450.11331	2.0
474.43146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57761	0.4
52.74270	0.4
55.01770	0.9
56.50724	0.4
57.03316	0.8
59.01253	100.0
60.01595	0.9
69.55028	2.8
71.01251	7.3
73.02808	2.3
83.01288	0.7
85.02817	2.3
87.00769	1.7
89.02312	6.2
99.00771	0.6
101.02325	5.6
113.02328	3.8
119.03374	3.4
121.02810	0.5
143.03424	0.7
159.02936	0.6
161.04475	4.7
176.52338	0.4
179.05565	1.6
191.03516	0.8
191.05568	1.8
211.07602	0.4
225.14833	0.8
229.08702	0.8
245.94649	0.4
278.72263	0.4
320.35559	0.4
327.08850	0.9
369.18979	0.6
385.16885	0.5
387.20276	9.5
388.20767	1.1
421.54828	0.4
431.19559	0.5
447.17261	0.5
447.22760	3.4
448.23364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33812	0.3
59.01249	1.0
70.91035	0.5
70.91355	0.5
76.44824	0.3
78.95776	6.7
80.13687	0.3
85.33102	0.3
110.98421	4.7
117.91840	0.4
152.99475	0.4
167.01062	2.6
185.02126	3.8
218.60896	0.3
240.94119	0.3
277.14005	0.3
279.23288	100.0
280.23648	12.5
280.26776	0.6
283.04846	0.3
447.25168	5.8
447.30798	0.3
448.25714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.7
60.13374	0.4
60.15424	0.3
71.02322	0.6
73.31268	0.3
78.95777	16.5
82.38775	0.3
84.76107	0.3
85.30307	0.3
86.33030	0.3
94.98947	0.5
104.97381	0.6
110.98422	11.4
120.55153	0.3
137.00014	0.5
161.33806	0.4
163.87039	0.4
165.70654	0.3
167.01064	12.9
185.02139	3.9
261.22290	0.5
279.23288	100.0
280.23642	12.4
280.26770	0.6
333.27249	0.4
447.25174	17.3
448.25461	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43937	0.2
55.01751	0.2
57.03321	0.8
59.01252	100.0
60.01590	0.9
69.03337	0.6
71.01245	5.6
71.04888	0.4
71.75243	0.2
72.99197	0.3
73.02811	1.2
75.00754	0.6
78.92242	0.2
78.95782	0.3
83.01278	0.5
85.02818	2.3
87.00761	2.3
89.02315	2.6
93.03329	0.2
95.01284	0.7
96.95881	0.3
97.02830	0.3
99.00760	0.9
101.02327	3.3
108.02080	1.1
109.02888	0.3
111.00767	0.3
113.02330	2.9
119.03391	1.0
121.02859	0.4
123.08065	1.1
129.01839	0.3
130.99831	0.3
133.02904	0.4
137.02393	0.3
137.09627	0.5
139.11237	0.7
143.03406	0.5
147.04457	0.4
149.02339	1.5
149.06071	0.3
152.01041	2.4
153.01843	0.3
153.09189	0.9
159.02872	0.4
161.02409	0.4
161.04480	3.9
163.03943	0.3
163.11197	1.0
173.04530	0.3
177.01872	0.4
179.05539	1.2
181.03206	0.3
183.10184	1.7
185.05914	0.3
189.12822	1.7
191.03510	0.6
191.05565	0.5
197.35141	0.3
199.07613	0.3
207.13834	3.4
225.09293	0.3
225.14874	1.4
227.03557	0.4
229.08618	0.4
249.06172	0.7
255.03088	0.5
263.07736	0.4
267.07217	0.4
281.08905	0.3
284.03403	2.0
284.06424	0.4
285.04013	3.4
327.05228	0.7
387.20032	2.5
403.10922	0.3
403.16583	0.5
447.09314	2.4
447.18298	1.2
448.12186	0.4
451.13748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
58.00467	0.3
58.27470	0.2
59.01252	100.0
60.01592	0.8
61.98695	0.5
63.62267	0.2
66.43869	0.2
69.79189	0.8
69.79591	0.4
71.01260	5.2
72.17635	0.2
72.99171	0.4
73.02843	0.7
83.01288	0.3
85.02839	0.9
87.51374	0.2
89.02321	6.6
95.01257	0.4
99.00775	0.4
101.02327	3.6
113.02323	2.8
113.03072	0.3
119.03387	2.7
126.15911	0.2
143.03424	0.6
159.02905	0.4
161.04472	2.5
179.05536	1.2
189.12758	1.6
191.03450	0.7
197.05905	0.2
207.13992	0.7
327.08786	0.7
387.20218	3.3
387.24283	0.3
388.20837	0.3
447.13104	1.2
447.22644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	0.9
69.77500	1.6
71.01252	5.0
73.02831	1.3
78.13517	0.4
78.43462	0.4
83.01261	0.5
85.02840	1.4
87.00734	0.9
89.02314	3.7
95.01302	0.7
98.19879	0.7
99.08385	0.4
101.02306	3.0
113.02358	2.1
119.03403	1.4
123.08067	1.2
141.09113	0.7
143.03427	0.6
155.26360	0.4
161.04448	4.4
161.05423	0.4
163.11235	1.4
163.31982	0.5
179.05621	1.5
184.02382	0.5
189.12817	1.3
207.13852	4.4
225.15057	1.1
243.16226	0.9
259.25620	0.5
284.03354	1.1
285.04037	0.5
387.20209	3.4
405.21210	1.1
447.09610	1.5
447.22842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58833	0.3
58.00475	0.5
59.01254	100.0
60.01592	1.1
71.01257	9.7
71.08405	0.4
72.99200	0.5
73.02842	0.8
75.00732	0.3
77.29207	0.3
85.02840	1.4
87.00773	0.9
89.02322	19.5
90.02661	0.5
95.01311	0.5
101.02325	5.6
103.19651	0.3
113.02336	6.0
119.03397	7.8
119.48206	0.3
131.03412	1.1
135.04462	0.9
137.02390	0.6
143.03415	2.9
143.78363	0.3
149.04517	0.6
153.01994	0.4
161.04475	3.5
163.00352	0.5
167.10725	0.6
179.05537	14.6
180.05853	0.5
190.99789	0.9
240.04308	0.3
274.56198	0.4
300.02820	0.3
327.05191	0.4
387.20337	1.0
403.10681	0.4
405.21680	0.5
447.09558	0.7
447.22748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61293	0.3
54.69195	0.3
57.03337	0.4
59.01250	100.0
60.01591	1.1
69.63645	1.1
69.64056	0.8
71.01255	6.9
71.01624	0.6
72.99171	0.4
73.02834	0.9
74.97214	0.3
75.00742	0.6
85.02826	1.8
87.00759	1.4
89.02313	10.5
89.02831	0.6
93.03353	1.1
95.01292	0.4
101.02318	4.2
113.02323	3.3
119.03381	4.5
121.02867	0.7
123.60139	0.3
125.02386	0.4
131.03406	0.5
135.04416	0.6
137.02351	2.4
143.03423	1.1
149.04503	0.4
149.06000	0.5
161.04477	1.9
168.51250	0.3
173.04520	0.3
179.03778	0.5
179.05507	4.9
185.44101	0.3
197.04443	0.5
221.47899	0.3
225.15021	0.4
249.06285	0.6
267.07294	1.0
273.63498	0.3
327.05127	0.4
387.20264	1.9
403.10446	0.5
447.11679	1.1
447.22656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
59.01238	5.8
60.00637	2.1
61.42137	2.2
69.87585	2.1
69.88249	6.9
73.02817	2.8
76.78860	2.1
86.18851	2.3
87.00750	54.2
97.06479	2.0
101.02332	5.1
102.90712	2.0
105.03352	3.2
121.02850	8.4
122.03615	7.4
130.99751	18.2
133.02853	6.3
136.01569	2.2
137.02338	91.5
138.02673	4.7
139.03897	31.4
145.02888	2.8
146.03532	3.1
147.04422	78.1
147.05595	4.3
148.05219	57.4
149.05591	3.9
158.03581	1.9
159.04346	2.3
163.03879	5.6
164.04762	3.5
172.05202	4.1
173.05968	14.4
174.06714	6.2
175.07576	4.5
186.06845	3.2
187.03851	3.2
187.07607	5.6
188.04660	2.9
189.05566	2.7
189.09175	3.2
192.04221	100.0
193.04521	5.9
196.05307	4.1
198.03105	2.3
199.07605	8.6
201.05519	3.1
201.09146	7.6
202.06253	3.8
203.07074	4.3
207.02946	14.6
211.07640	2.4
211.13367	5.5
214.06271	4.6
215.07045	7.5
215.10800	2.2
217.08614	5.0
218.02243	4.1
218.09444	7.0
224.03256	14.6
225.09111	7.3
226.09912	4.1
227.07123	4.7
228.07852	4.3
229.08572	3.6
236.03227	58.8
237.03656	4.7
243.06561	3.9
243.10278	16.2
244.10884	3.7
245.08109	2.8
288.10071	4.0
297.14874	2.7
297.26633	2.4
313.14572	2.5
315.16150	2.2
323.16608	4.8
325.14618	3.5
341.17450	13.8
350.09940	4.8
359.18628	11.9
360.19254	2.2
369.13528	5.0
385.16531	4.0
403.17532	3.9
429.15671	10.3
447.16580	69.3
448.17059	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	447.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66827	2.8
57.03319	11.2
69.03302	4.3
69.41187	11.2
69.41602	7.9
71.82898	2.6
73.02815	9.0
87.00755	58.1
91.05418	8.5
95.04893	5.8
97.06479	7.5
98.20628	3.6
101.02336	16.6
103.05402	6.0
105.03358	7.3
108.02088	2.8
113.02274	3.8
119.04942	12.4
121.02837	7.5
126.94386	2.5
130.99731	15.3
137.02347	32.8
139.03882	12.8
145.02818	3.8
145.06502	6.6
146.03590	7.8
147.04414	100.0
147.08098	3.2
148.05232	30.7
149.05936	3.6
156.05721	3.2
158.03633	4.4
159.04428	8.4
161.05956	2.9
161.78801	2.4
163.03914	2.7
171.04431	3.5
171.08066	7.3
172.05206	10.4
173.02368	2.6
173.05992	37.0
174.03233	2.8
174.06700	11.9
175.07552	11.9
175.61978	2.8
185.06021	5.6
186.06818	9.9
187.03873	6.9
187.07565	19.9
188.04747	5.8
189.05431	6.3
189.09125	8.5
191.03453	11.8
192.04211	21.3
196.05139	5.9
197.05907	4.5
198.03307	3.1
199.03894	4.7
199.07556	22.3
200.04724	2.5
200.08322	10.4
200.81654	2.7
201.05394	6.0
201.09131	30.7
202.06250	8.5
202.09450	3.4
203.07027	11.1
207.02954	3.4
210.06670	3.1
211.13361	22.4
212.04759	2.7
214.06305	9.8
215.07072	27.6
215.10670	6.1
216.07838	3.7
217.01553	2.6
217.08604	13.6
218.02190	12.0
218.09433	16.7
224.03276	4.7
224.08371	2.4
225.09140	21.6
226.09908	5.9
227.07108	13.9
228.08011	6.1
229.08553	12.8
236.03226	7.6
243.06570	13.2
243.10207	31.8
244.10985	15.2
245.08215	8.9
271.13437	4.2
287.09103	3.4
288.10172	3.9
289.10928	4.8
297.14890	3.3
313.14490	4.1
320.99524	2.8
323.16602	4.5
325.14478	6.1
341.17734	3.5
350.10345	4.2
359.18759	3.2
369.13483	7.7
385.16739	5.6
403.17578	4.7
447.16614	94.6
448.17206	12.4
461.12888	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	447.1661
Annotation	2,3-Epoxyjuanislamin
Peak:m/z	Relative Intensity
57.03319	5.5
65.60525	1.9
67.91145	1.7
68.14651	1.9
68.86079	2.1
70.85276	5.0
73.02781	1.8
87.00742	3.1
91.05431	2.4
101.02319	6.5
103.56145	1.8
105.03347	2.6
119.04901	2.1
135.04416	2.0
136.05186	2.8
137.02362	2.3
145.02751	2.3
146.03619	6.3
147.04442	18.2
148.05186	26.1
149.86020	2.0
159.04477	3.5
161.05986	8.3
162.06770	41.6
163.07181	2.0
163.63586	2.0
164.04774	2.7
164.08398	2.8
172.05281	4.5
173.05902	3.0
174.03159	9.0
174.06960	2.0
175.07564	4.9
176.04694	7.0
183.28316	1.9
185.05977	3.7
186.06737	2.4
187.07611	5.7
188.04718	3.9
188.08334	5.2
189.08986	2.9
190.06253	5.5
191.03400	2.4
192.04208	2.1
194.05838	2.5
196.05219	2.9
197.06030	2.1
199.07530	6.4
199.09346	2.1
200.08420	2.5
201.05479	2.5
201.09192	8.2
211.13300	5.4
214.06285	4.8
215.07117	4.9
218.02139	5.3
225.09169	7.2
226.09843	2.2
229.08690	3.2
234.08870	2.3
243.10283	10.3
244.10970	4.5
257.15463	67.6
258.15875	6.6
285.18314	4.7
287.20197	4.8
295.17377	2.1
297.15201	2.1
313.18112	99.2
314.18393	13.3
321.14725	3.0
323.16473	3.6
331.19080	36.8
332.19623	5.0
339.01398	2.2
341.17374	14.1
357.17123	3.5
359.18625	82.6
360.19003	13.5
369.13272	3.3
371.15585	2.1
385.16373	4.6
403.17618	43.7
404.17947	6.4
423.88568	2.0
429.15549	59.9
430.15799	7.1
447.16605	100.0
448.17139	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	447.166
Annotation	2,3-Epoxyjuanislamin
Peak:m/z	Relative Intensity
57.03318	3.9
59.01242	2.3
66.21239	2.2
67.96204	2.3
69.03317	3.8
73.11337	2.2
87.00761	4.7
101.02328	5.0
107.01257	3.3
109.02846	2.3
109.41325	2.2
115.53789	2.2
123.37384	2.1
125.02347	2.5
135.04396	2.6
137.02362	6.0
146.03622	5.2
147.04425	20.0
148.05174	8.1
151.00223	4.0
159.04448	18.6
160.05168	4.9
161.05933	7.9
171.07916	2.2
172.05179	11.6
173.06017	25.5
174.03125	4.4
174.06810	13.3
175.07471	3.1
185.05992	7.0
186.06812	12.2
187.03925	14.2
187.07549	11.2
188.08229	3.4
189.05484	10.1
192.04216	5.5
196.05264	4.2
197.06012	8.0
198.06741	3.3
199.07588	7.4
200.04668	2.8
200.08318	10.1
201.05511	13.4
201.09143	4.1
211.07440	3.8
211.13306	8.3
212.08298	2.5
213.05635	2.7
214.06171	4.9
215.07072	8.6
216.07907	15.8
217.08514	3.5
225.09137	6.3
226.09973	3.0
241.12263	4.5
242.05798	9.2
243.06473	3.8
243.10219	6.0
244.10962	3.6
260.06784	3.1
269.15292	2.5
283.13477	3.1
285.14948	5.7
295.16855	3.0
297.14951	61.1
297.18213	2.7
298.15259	9.1
300.13705	4.5
311.13107	3.9
313.18042	5.8
315.15991	36.6
318.14639	4.5
323.13077	2.6
323.16580	40.0
324.16791	3.7
329.13800	5.7
341.14099	4.4
341.17584	77.0
342.17935	7.2
359.18600	40.8
360.19095	3.3
367.15271	3.9
385.16547	19.1
386.16928	2.9
403.17587	29.4
411.14426	3.5
429.15567	18.1
447.16571	100.0
448.17056	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	447.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64343	0.5
59.01240	4.8
60.98882	0.6
61.98716	0.9
66.12298	0.6
68.66862	0.5
71.01258	1.7
71.52820	1.0
72.51575	0.6
72.99191	5.0
73.02217	0.6
74.02360	0.7
75.00757	6.3
75.06828	0.5
87.00775	1.0
89.02316	2.3
89.02864	0.6
90.92642	0.5
98.38062	0.6
101.02331	0.9
103.00255	1.2
104.03418	2.7
105.01819	100.0
105.06581	0.7
106.02151	1.4
108.02068	3.8
119.27960	0.5
121.02816	0.5
135.02887	6.5
136.34360	0.6
137.02336	2.8
152.01053	3.3
153.01889	1.0
167.10670	0.6
276.09497	0.7
285.89664	0.6
433.37839	0.7
447.11450	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	447.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39190	2.0
57.03326	4.1
59.01248	7.5
67.79756	2.1
69.03313	3.0
69.26109	16.5
73.02861	2.6
74.76200	2.0
87.00752	60.2
96.64740	2.0
97.06460	4.8
101.02325	6.6
105.03300	2.6
109.79864	2.5
111.00780	2.4
121.02837	6.3
121.75755	2.0
122.03629	6.0
130.99730	23.3
133.02827	5.9
137.02351	83.9
139.03915	28.5
140.04219	2.4
145.02872	3.2
145.06459	4.0
146.03601	4.2
147.03299	4.7
147.04420	78.5
147.08037	2.4
148.05220	61.8
149.05725	2.4
158.03656	3.9
159.04436	5.4
160.05156	2.1
163.03880	6.1
164.04684	6.2
169.43788	2.1
171.04465	2.5
171.08087	4.0
172.05241	5.9
173.06024	27.8
174.03130	2.5
174.06744	9.0
175.07549	6.6
179.03413	4.0
186.06798	4.8
187.03949	4.3
187.07570	10.4
188.04752	5.1
189.05388	2.9
189.09087	2.9
191.03412	2.7
192.04208	76.7
193.04549	5.9
196.05286	3.5
197.06049	2.6
199.07581	17.7
200.04738	3.3
200.08342	3.0
201.05446	2.1
201.09166	14.6
202.06197	2.9
203.07051	8.3
207.02942	14.1
211.13359	4.9
214.06244	4.6
215.07150	13.3
216.07692	3.4
217.08646	11.2
218.02104	4.0
218.09474	14.4
224.03242	8.8
225.09039	10.4
226.09966	3.3
227.07169	10.9
228.07837	6.1
229.08612	7.2
236.03233	37.8
237.03737	4.2
243.06607	4.8
243.10242	16.9
244.10873	6.0
245.08247	3.2
288.10001	2.5
313.14395	5.2
313.17947	4.1
323.16510	7.4
325.14484	7.1
341.13913	3.1
341.17542	11.7
350.10049	7.0
359.18716	9.1
369.13437	11.9
385.16666	5.4
403.17645	5.2
429.15585	8.4
447.16614	100.0
448.16833	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	447.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	13.1
59.01242	2.7
61.16726	1.9
68.99676	3.2
69.45154	12.9
73.02808	6.5
76.60831	1.9
87.00763	8.3
91.05411	6.7
95.04913	4.2
97.06474	3.5
101.02319	11.4
103.05407	5.5
105.03333	12.3
108.02077	2.6
119.04931	9.8
121.02859	5.3
129.03383	2.5
130.99733	2.5
137.02336	15.4
139.03949	3.3
141.31972	1.8
143.04927	2.2
145.02953	1.9
146.03662	7.7
147.04430	100.0
148.05237	31.0
149.05946	4.3
159.04442	3.3
161.05920	2.5
162.06752	6.7
171.04521	3.1
171.08051	4.7
172.05191	5.4
173.06018	9.3
174.03131	2.2
174.06741	4.2
175.07552	6.9
176.04631	1.9
185.06017	4.2
186.06847	9.3
187.03998	3.0
187.07581	8.3
188.08348	3.3
189.09099	3.7
191.03381	9.3
192.04199	10.7
196.05238	6.5
197.06049	4.8
199.07552	12.7
200.04582	2.4
200.08304	5.3
201.09148	19.1
202.06287	6.5
203.06950	3.8
210.06871	3.1
211.13338	29.5
214.06326	12.8
215.07106	15.9
215.10724	6.1
217.08649	3.3
218.02106	15.5
218.09402	2.4
224.08353	2.5
225.09171	22.3
226.09895	6.1
227.07108	4.7
227.10742	5.2
228.07870	4.4
229.08717	10.5
236.03046	2.5
238.47261	2.5
243.10228	24.9
244.07368	2.1
244.11058	10.3
245.08240	8.0
245.11668	4.4
257.15482	13.3
287.09155	3.3
288.10080	4.3
303.03116	1.9
313.18079	27.3
314.18478	2.2
323.16318	3.8
331.19077	7.1
332.19278	2.1
341.17578	5.8
359.18594	18.6
369.13196	4.1
385.16464	5.1
392.24854	2.0
400.00946	1.9
403.17508	11.0
429.15359	11.5
447.16599	69.9
448.17038	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88270	0.2
57.03332	0.3
59.01253	12.6
60.51073	0.2
63.02264	0.4
66.72273	0.3
69.28633	1.9
72.99160	0.3
73.02820	0.7
75.00735	0.3
83.01266	0.6
85.02817	0.6
87.00745	1.2
89.02343	1.5
93.03338	0.6
95.01253	0.3
96.54362	0.2
99.00781	0.3
101.02328	1.6
107.01276	1.3
108.02047	0.5
109.02833	0.3
113.02319	0.7
119.03374	0.6
121.02831	0.4
121.80096	0.2
123.04465	0.3
125.02338	0.8
135.00723	0.6
135.04449	0.3
139.03899	0.3
143.04970	0.3
145.02861	0.3
149.02457	0.4
151.00293	2.9
152.01010	0.5
153.01779	0.5
158.03731	0.2
159.04431	0.4
161.02388	0.4
161.04488	0.7
163.00281	0.5
165.01808	0.3
169.01344	0.3
173.04427	0.3
173.06001	0.4
174.03162	0.5
175.03894	0.4
178.99805	0.5
181.33107	0.2
183.04488	1.5
184.04771	0.3
185.06029	0.6
187.03896	0.6
189.05554	0.4
191.03545	0.3
191.05469	0.5
193.04993	0.3
195.04634	0.3
197.05963	0.4
200.04781	0.3
201.05386	0.3
204.50177	0.2
211.03957	2.0
212.04668	0.3
213.05490	0.4
227.03448	64.0
228.03816	5.3
229.04979	1.5
239.03500	0.6
240.04024	0.3
241.04962	0.4
255.02965	86.8
256.03525	12.9
257.04404	1.6
269.04480	0.4
275.25549	0.3
283.02441	0.6
283.05890	0.4
284.03259	80.6
285.03949	24.7
285.07089	0.6
285.10629	0.3
286.04398	1.9
327.05197	1.1
344.37009	0.2
359.02554	0.3
387.20233	1.0
419.09644	0.3
447.09311	100.0
447.22110	5.3
448.09622	13.3
448.15994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
62.96272	1.1
69.24061	0.2
69.24363	3.0
78.95779	40.1
87.00745	2.2
96.96855	2.6
107.21946	0.3
130.99789	0.7
140.32881	0.3
147.04420	1.0
148.05200	0.5
148.99998	19.4
150.00325	0.5
158.92471	1.8
161.43968	0.3
173.05995	0.8
176.90822	0.3
179.01093	2.7
199.07468	0.3
205.15904	1.6
211.13264	0.7
218.09445	0.4
275.56000	0.4
347.08179	0.5
417.12335	0.9
431.10260	2.7
432.10794	0.7
447.13391	100.0
448.13672	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45753	0.9
59.01250	100.0
60.99961	1.1
61.98710	1.8
64.45471	1.0
71.01237	1.6
71.53188	1.7
74.10780	0.9
87.00749	3.0
89.02310	2.3
91.03882	1.8
96.95905	2.2
101.02319	1.5
121.02836	1.8
137.02257	1.0
147.04410	4.4
153.09138	1.0
189.84819	1.0
191.03482	1.6
192.04256	1.1
209.11763	2.9
211.13290	2.7
261.98026	0.9
293.21143	1.1
311.22302	11.4
312.22720	1.8
373.13303	1.1
421.11047	1.0
445.29309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55062	0.2
57.03314	0.3
59.01258	1.7
60.18121	0.2
69.28594	1.5
69.29008	0.9
72.00780	0.5
87.00739	0.4
91.01762	1.6
93.03328	9.5
97.06458	0.3
101.02312	1.0
116.04918	1.9
118.02872	19.5
119.03184	0.7
121.02847	1.8
131.03650	1.2
133.02831	0.3
136.03938	76.0
137.02345	0.8
137.04295	2.7
147.04393	2.4
148.03918	0.9
149.04742	0.4
152.03485	0.8
158.64774	0.3
159.04486	0.4
163.79309	0.3
164.07066	4.2
173.04485	0.4
181.03751	0.6
187.07512	0.3
188.88647	0.3
190.04985	0.8
191.03416	0.6
191.05501	0.5
195.08096	0.7
195.16945	0.3
197.06000	0.3
201.09135	0.6
210.06757	0.3
211.07492	0.3
215.07152	0.5
215.10716	0.4
222.09290	0.7
223.07593	2.9
224.08104	0.4
225.09096	0.6
229.08568	0.6
239.10657	0.5
240.10254	45.6
241.10562	4.4
241.12576	0.2
243.10207	0.5
253.12282	0.4
256.10989	0.3
266.08231	0.6
268.11310	0.4
269.11816	0.4
269.15277	0.4
283.13290	0.4
284.09268	100.0
285.04120	0.5
285.09583	9.4
285.66748	0.3
297.14886	1.6
300.13638	0.6
311.12946	0.5
315.06995	0.3
323.16629	1.0
327.08881	1.3
341.17627	2.1
367.15460	0.4
381.87213	0.3
385.16528	3.8
429.15430	1.4
446.14572	22.1
447.08847	0.7
447.15436	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09322	0.7
56.88288	0.7
59.01252	100.0
60.01581	1.5
61.98712	1.6
71.01259	1.7
71.08884	1.6
82.47125	0.7
87.00756	6.6
91.03892	2.1
92.84055	0.8
97.06505	1.0
101.02344	1.0
101.17077	0.8
124.20612	0.7
125.09622	1.6
129.79562	0.7
130.99754	2.2
137.02374	1.2
146.03622	1.0
147.04399	7.4
148.05183	1.0
149.05992	2.4
191.03445	1.5
192.04237	1.5
197.06178	0.8
209.11819	1.9
211.13509	0.9
215.07117	1.6
264.65118	0.7
271.33179	0.8
281.03943	0.7
282.90475	0.8
293.21387	0.8
311.22247	10.6
312.22745	1.3
339.16330	0.8
347.22089	1.0
413.87466	0.9
445.29993	2.1
457.71384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
68.82204	0.3
71.01266	0.3
71.30167	0.6
78.95774	7.3
79.16899	0.3
83.04872	0.4
110.98402	4.9
141.03926	0.3
152.99535	0.4
167.01033	3.3
177.27739	0.3
185.02135	3.8
263.64523	0.3
275.20078	0.5
277.21722	100.0
278.22070	11.4
406.43488	0.3
445.23593	5.1
446.23859	0.9
462.87177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.6
58.00460	2.2
59.01254	100.0
60.01585	1.1
61.98724	1.1
71.01257	39.6
71.53760	1.5
72.99184	2.7
73.02823	6.4
75.00759	1.5
78.46500	0.9
81.34566	0.9
83.01264	3.3
85.02829	7.2
87.00749	5.5
89.02322	42.5
90.02703	0.9
93.03326	1.3
95.01287	2.8
99.00759	2.5
99.04357	0.8
101.02325	23.2
104.72861	0.8
111.00729	1.2
113.02331	15.4
114.02633	1.3
119.03400	21.5
121.02804	1.1
123.04401	1.9
125.02345	1.2
129.01881	1.1
131.03391	2.4
131.51775	0.8
135.04439	1.3
137.02348	1.2
137.09625	1.9
143.03400	5.2
147.04378	1.1
147.08020	0.8
149.04495	1.9
149.05978	1.2
152.03423	2.8
153.09119	3.7
161.04477	8.5
163.03940	1.2
173.04338	0.9
179.05521	14.2
188.83951	1.1
191.05556	1.4
205.12271	5.9
207.00951	0.8
223.13336	2.0
227.07051	1.1
239.07101	1.1
249.06166	1.2
283.02481	0.9
315.14435	1.2
339.16199	1.8
385.13797	1.6
385.18680	24.9
386.18933	3.4
403.15051	2.3
445.15887	4.7
445.21448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36249	1.1
57.03322	6.8
59.01251	100.0
60.24230	1.1
69.42946	5.9
69.43364	2.8
71.01254	18.6
72.99170	1.9
73.02821	1.4
75.00729	2.4
83.04874	2.4
85.02789	6.3
87.00753	3.7
89.02313	26.8
93.03346	1.3
95.01247	1.4
99.00771	1.3
99.04388	2.2
101.02326	9.8
108.01997	1.1
113.02335	10.9
119.03382	10.9
121.02843	1.8
123.04391	1.7
125.02271	1.6
131.03407	1.5
133.02846	2.6
134.03613	3.7
143.03391	2.6
148.01540	5.1
149.02351	4.4
153.01863	1.3
161.04422	3.9
163.03845	1.1
164.04745	5.2
174.03014	1.2
177.01811	3.6
179.05507	14.6
179.07054	5.5
198.06798	1.8
205.41251	1.1
209.05960	1.7
211.03958	2.1
225.05437	7.6
237.05647	1.8
238.06268	2.7
239.03433	1.6
249.05891	2.0
253.04977	6.7
254.05745	4.6
255.03258	1.2
257.60379	1.2
265.05063	1.1
267.07211	4.4
268.03735	2.9
268.07452	2.0
269.07623	3.3
279.03177	1.3
281.04501	3.7
282.05319	68.9
283.05762	9.0
292.03772	6.4
293.04410	1.6
297.07443	15.8
297.10538	1.2
298.08157	1.8
300.03000	1.2
307.05984	5.1
310.04794	14.3
311.05270	1.5
325.07175	53.1
326.07486	6.0
328.05637	1.5
445.11374	91.3
446.11691	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
64.64992	0.3
71.01242	0.5
73.02816	0.5
78.95781	21.7
94.98902	0.5
97.85705	0.4
104.97388	0.7
110.98423	14.4
111.57154	0.4
132.47450	0.4
135.16945	0.4
137.00038	0.6
167.01068	16.8
185.02097	3.5
194.58284	0.4
208.58028	0.4
250.07935	0.4
277.21722	100.0
278.22061	12.3
287.66049	0.4
345.57169	0.5
445.23587	17.8
446.23874	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.6
59.01256	15.4
59.06744	1.6
71.01264	6.0
71.51828	1.6
71.52224	2.5
72.00822	1.6
72.99200	2.9
73.02838	1.7
75.00744	65.6
76.01064	2.0
84.11397	1.4
87.00759	2.8
89.02345	7.9
90.75072	1.3
100.20438	1.5
101.02322	3.7
103.00251	100.0
104.03421	8.4
108.02042	3.9
109.02864	2.9
119.03389	1.7
125.02303	1.9
133.01321	2.3
133.04959	24.9
135.04352	1.7
152.01086	3.7
179.05519	2.9
250.37265	1.4
341.10953	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	445.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01250	14.5
67.75997	0.8
71.01253	12.7
71.52871	0.8
72.00781	3.4
72.99171	4.7
73.02836	1.6
74.02357	2.7
75.00745	78.8
85.02839	1.6
85.88690	0.9
86.39223	0.9
87.00756	4.0
89.02318	10.8
92.73988	0.9
101.02329	5.0
101.14876	1.0
103.00250	100.0
103.03889	2.8
104.00607	2.0
104.03416	19.8
108.02053	1.3
113.02335	2.2
115.00214	1.3
119.03377	4.5
130.15793	0.9
133.01344	1.6
133.04958	28.3
147.02951	2.1
152.01080	1.1
159.04214	0.9
168.15015	1.0
179.05563	3.0
198.18684	0.9
227.64046	0.9
341.10806	13.9
342.11389	1.2
426.70645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
55.96405	1.3
59.01255	100.0
60.01571	1.5
61.98700	1.9
71.01256	34.9
71.04873	1.4
71.53658	1.9
71.86897	1.2
72.99178	2.5
73.02832	7.0
75.00744	2.3
83.01276	2.5
85.02812	8.5
87.00765	6.8
89.02323	38.2
92.75917	1.2
93.03315	2.3
95.01276	2.6
96.88573	1.2
97.02807	1.4
98.70328	1.4
99.00768	2.2
101.02327	19.2
102.70551	1.4
104.38676	1.3
111.00751	1.9
113.02345	15.8
119.03409	17.8
122.03593	1.6
123.04462	1.6
131.03397	2.7
135.04500	2.0
137.02196	1.7
137.09621	2.1
143.03395	4.0
147.04492	1.5
149.04417	2.5
152.03413	5.1
153.09129	4.5
156.08911	1.5
161.04491	7.5
163.03870	1.4
171.98625	1.5
179.05551	9.1
179.10690	1.4
189.83791	1.4
201.05566	1.9
205.12288	4.9
209.08083	1.7
220.18648	1.7
223.13434	2.3
261.99203	1.6
285.11395	2.8
339.15918	4.6
357.16904	1.8
369.09766	1.3
385.14282	2.5
385.18695	20.3
386.19354	2.2
401.16125	1.6
403.14883	1.5
445.15707	3.3
445.20853	4.5
468.47110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27948	0.7
53.28210	0.6
57.03319	2.1
59.01251	100.0
60.01583	0.9
69.60704	4.7
71.01257	17.2
72.99181	1.5
75.00771	1.3
83.04905	2.9
85.02831	2.9
87.00755	3.1
89.02315	24.3
95.01302	1.2
98.19712	1.3
99.04394	1.0
101.02323	8.6
109.02800	1.0
113.02339	7.3
119.03387	9.9
131.03419	0.9
133.02847	0.9
134.03654	1.4
140.09596	0.9
143.03389	2.1
148.01584	1.2
149.02357	2.2
149.04427	0.7
151.03864	0.7
161.04478	2.6
164.04683	2.5
165.03979	0.9
177.01843	1.0
179.05565	13.2
179.07088	1.9
193.05183	0.8
209.06107	0.9
225.05429	3.2
238.06277	0.7
249.06065	1.3
253.05017	2.1
254.05820	1.0
262.75742	0.7
267.07169	1.9
268.03848	1.4
269.07642	1.4
281.04550	2.2
282.05350	32.6
283.05716	3.4
292.03748	3.5
295.05856	0.7
297.07538	10.4
298.08005	1.2
305.71680	0.7
307.06107	2.5
310.04834	9.4
311.05118	1.3
325.07166	22.4
326.07516	3.1
337.07004	0.7
445.11414	26.4
446.11896	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30274	0.5
59.01251	100.0
60.01596	1.2
71.01262	0.7
71.53519	0.7
91.03907	1.2
109.75438	0.6
121.09160	0.6
132.92810	0.6
133.02859	0.7
160.27299	0.6
187.07617	0.8
197.11826	2.5
228.07970	0.9
239.10866	0.7
291.19788	2.7
309.20709	6.6
310.20850	1.0
367.12296	0.7
400.28082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50279	0.8
59.01252	100.0
61.98689	0.8
70.05465	3.8
71.01247	1.2
74.61191	0.9
89.02322	1.1
91.03870	3.2
99.00777	1.5
102.14312	0.8
111.08047	1.5
113.02291	1.1
147.04471	1.0
152.06305	0.7
167.40895	0.9
197.11775	5.0
213.05553	1.3
215.07021	1.2
228.07823	1.1
290.25653	1.0
291.19644	3.5
309.20648	7.5
330.68930	0.8
341.11053	1.0
408.77002	0.8
443.27856	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01586	1.1
69.94939	1.0
73.13404	0.9
98.19774	2.7
98.47987	1.3
99.00755	3.7
108.37004	0.8
125.05782	1.2
136.15440	1.0
209.82011	1.1
218.99643	1.0
309.20895	2.7
346.10416	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	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76195	1.2
58.34283	1.2
59.01255	18.8
68.99683	3.9
71.01257	5.2
73.02807	2.7
75.00745	3.9
79.05404	2.0
85.02807	3.3
87.00739	5.5
88.08272	1.5
89.02286	2.2
91.05402	9.6
93.03345	9.9
95.04910	5.2
98.20553	3.3
99.04395	1.5
101.02332	3.3
103.05415	6.2
105.03339	14.8
108.02053	46.9
109.02844	4.7
113.02330	1.9
117.03379	1.6
118.02859	10.6
119.04919	17.0
119.45546	1.5
121.02838	14.4
121.26716	1.3
123.04420	25.5
123.06863	1.4
129.01772	1.8
129.03349	2.2
131.04964	2.3
133.02805	2.6
135.04457	2.1
136.02919	2.6
136.03946	44.2
137.02353	8.8
139.03888	3.6
145.02856	6.3
146.03476	4.4
147.04427	100.0
148.05231	8.7
149.02364	4.0
149.05997	15.3
150.06335	1.7
151.03877	2.3
152.01117	1.4
157.06520	2.6
158.03622	4.3
159.04401	6.0
160.01578	1.6
161.02376	8.8
163.03864	2.4
164.04709	9.1
164.07109	3.4
165.05400	2.8
171.04446	1.9
173.05989	20.1
175.03966	10.3
175.07532	2.3
176.04723	4.7
177.03951	1.7
179.03398	6.2
179.07069	6.5
183.04431	3.9
185.05988	1.8
186.03174	3.1
191.03447	28.7
191.07091	3.2
192.04204	8.0
193.04942	10.8
194.05762	7.6
195.04887	2.0
195.06587	1.9
196.05327	1.7
199.03893	9.6
201.05501	39.1
202.05942	3.4
207.06535	14.0
209.08160	8.2
209.11740	8.7
211.07593	1.8
223.07602	3.3
227.03418	3.4
227.07028	1.5
229.05174	2.1
233.08171	15.4
239.03433	4.5
239.07152	1.7
240.07880	3.1
240.10237	28.3
241.05020	2.0
241.08691	2.2
245.04497	12.3
253.05005	3.3
253.08900	1.8
255.03032	1.9
267.03082	2.3
267.06616	2.1
267.10129	1.7
268.03833	5.0
268.07376	3.7
269.04376	1.7
271.02496	2.1
277.07184	51.3
278.07559	2.6
281.04581	3.5
283.02939	1.5
283.06183	6.5
283.09750	4.2
284.09265	41.7
293.08096	2.0
297.07684	2.2
297.16931	1.7
300.02716	1.9
302.03290	1.9
313.14648	2.0
325.10773	6.3
327.08771	12.1
339.16089	4.4
357.13327	4.6
357.17148	3.1
362.05298	1.5
369.09842	10.2
371.11298	4.3
383.11240	2.1
401.12134	11.2
444.61450	2.1
445.10941	24.9
446.15155	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41207	1.3
54.09199	1.3
57.03324	3.3
59.01252	19.1
68.99699	1.9
69.03301	1.8
70.40856	4.3
71.01254	22.3
72.99195	6.1
73.02829	2.0
75.00748	13.3
85.02826	25.8
87.00765	8.8
89.02312	4.3
95.01271	4.0
99.00770	9.5
103.00266	2.3
108.02068	2.5
109.29374	1.3
111.00748	1.4
113.02330	20.0
117.01842	2.2
117.03349	6.2
128.33707	1.3
133.02875	2.8
134.03630	82.9
135.04378	2.5
137.02293	1.4
149.06026	3.6
160.01518	6.6
161.02374	2.5
175.02480	2.5
175.03918	5.8
193.04996	30.2
194.05309	3.1
249.06126	35.1
249.08565	2.4
267.07166	100.0
268.07355	6.5
381.11688	2.2
411.09778	1.9
425.10825	4.2
443.11945	86.0
444.12524	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	443.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.4
61.30490	0.4
66.28374	0.4
70.39599	1.2
70.39943	0.4
71.01228	0.9
80.14571	0.4
95.01304	0.5
101.09779	0.4
104.50861	0.4
105.47952	0.4
108.02032	0.7
109.02827	2.4
111.00768	0.6
113.02306	0.5
121.02795	1.0
123.04361	0.7
124.01563	0.9
133.02838	0.7
134.03647	0.4
135.04416	3.1
143.04892	1.0
147.04329	0.6
149.02342	0.4
149.05957	1.5
151.00302	2.2
155.04926	0.5
159.04355	1.7
161.02318	0.8
163.00284	0.6
169.09109	0.4
171.04393	2.2
173.02365	0.7
173.05998	1.1
175.03915	0.8
177.01849	0.9
180.16170	0.4
183.04468	1.9
185.02353	0.5
185.06007	0.7
186.03036	0.5
187.03899	0.9
187.07661	0.6
189.01857	0.8
189.05481	0.7
189.47481	0.5
196.05186	0.6
197.06023	0.5
198.03122	0.7
199.03937	4.4
201.01828	2.7
201.05466	0.5
203.03381	0.9
211.03897	1.2
212.08385	0.4
213.01859	0.8
213.05464	0.9
213.09106	0.8
214.02592	0.7
214.06163	1.1
215.03435	2.7
215.06985	0.8
223.03947	0.6
224.04706	1.7
225.01936	0.4
226.02629	1.1
227.03455	14.7
228.03963	0.9
229.01259	1.7
229.04955	0.5
230.01938	0.6
237.01958	0.7
240.04219	0.6
241.04971	0.9
242.02124	0.9
242.05762	1.1
243.02969	32.6
244.03430	2.6
252.04193	0.6
253.01341	0.5
255.03145	2.0
256.07010	0.4
257.04669	0.5
257.08130	0.9
258.09052	0.5
268.03726	0.7
269.04535	0.8
271.02487	52.9
271.09705	6.0
272.02774	4.3
272.10123	0.7
279.06702	0.7
280.07480	0.7
281.00873	0.6
285.04086	3.4
286.04617	1.0
296.03226	1.3
297.03912	1.2
299.01965	100.0
300.02316	8.5
307.06161	0.9
308.06924	0.9
313.03534	6.3
314.04312	60.6
315.04614	6.2
323.09357	2.5
324.09537	0.8
367.08673	0.5
393.06119	0.8
399.62729	0.7
410.10123	0.5
443.13483	78.3
444.13846	10.1
444.19809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00951	0.6
59.01254	11.7
71.01288	0.5
73.02837	0.3
74.85827	0.3
83.01252	0.3
95.04894	0.8
98.19777	0.6
99.00776	0.5
123.04395	3.4
124.89362	0.3
133.02853	100.0
134.03188	4.4
173.05911	0.3
209.06065	1.4
223.07597	2.0
224.08359	3.5
225.08945	0.4
239.10744	96.8
240.11079	8.2
299.02100	0.4
309.20676	0.3
377.56702	0.3
443.13425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89600	1.1
55.01767	1.4
57.03318	3.1
58.57733	1.0
59.01255	21.4
67.01754	1.3
68.99682	1.8
69.59424	6.4
71.01257	28.5
72.99179	10.0
73.02831	2.6
75.00751	22.1
83.01283	2.3
84.02060	1.6
84.42076	1.0
85.02825	29.6
87.00753	9.8
89.02324	7.1
89.03832	1.4
93.03316	1.6
95.01266	7.2
98.20544	1.2
99.00767	12.2
103.00269	2.6
111.00756	2.5
112.01561	1.1
113.02337	39.2
114.02709	2.1
115.00233	2.3
117.01808	4.9
117.03347	9.2
129.01852	2.5
132.02112	1.3
133.02829	3.4
134.03639	79.3
135.04317	4.4
149.02359	2.2
149.04297	1.0
149.06000	7.3
150.00095	2.2
157.01413	1.6
160.01585	5.0
161.02351	3.9
175.02412	3.3
175.03932	10.3
179.03375	1.7
191.05473	1.2
193.04997	49.6
194.05328	2.5
231.05122	2.9
237.93007	1.0
249.06131	35.0
252.06398	2.1
253.07065	1.2
267.07166	100.0
268.07465	6.5
425.11200	5.2
443.11935	73.2
444.12439	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	1.3
57.03286	3.3
58.00447	0.7
59.01249	22.5
60.47982	0.8
67.01714	1.0
68.99654	1.9
69.03300	1.9
69.33659	0.8
69.53306	4.9
71.01255	28.0
72.99177	6.7
73.02773	2.5
73.94983	0.7
75.00743	22.7
81.03310	0.8
83.01205	2.0
83.04897	0.7
85.02826	28.9
86.03136	1.1
87.00750	13.9
88.01013	1.0
89.01807	1.0
89.02309	9.6
89.03795	1.3
91.03854	1.2
93.03347	1.2
95.01255	7.1
97.02765	0.8
98.19807	1.1
99.00188	1.1
99.00759	13.0
101.02338	1.6
103.00200	3.2
108.02016	1.6
111.00737	1.7
113.02330	42.0
114.02642	0.9
115.00217	2.6
117.01825	4.6
117.03336	6.6
121.02779	0.8
129.01807	3.4
131.03383	1.3
133.02808	2.3
134.03636	77.5
135.04224	4.0
139.00143	0.8
148.05200	0.9
149.06001	8.9
150.06259	0.9
152.01013	1.4
157.01376	1.8
160.01566	7.4
161.02377	4.8
175.02348	4.4
175.03888	13.8
176.04433	0.7
177.01692	1.0
179.03368	3.0
191.05371	0.8
191.07030	0.9
193.04993	49.4
194.05295	3.2
207.04971	2.3
231.05005	1.4
235.06094	1.5
237.65244	0.8
249.06125	33.0
250.06499	2.2
251.12265	0.7
252.06345	1.7
253.07170	2.1
267.07162	100.0
268.07492	5.2
284.03201	1.3
323.34314	0.8
363.57922	0.7
381.11758	1.0
383.09824	1.3
401.82004	0.8
411.09540	0.9
425.10934	4.3
443.11923	67.4
444.12256	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01252	29.9
65.96273	0.4
67.01763	0.9
69.03306	0.6
70.84733	0.7
71.01250	1.1
73.02811	0.4
74.92244	0.4
81.03345	0.4
83.04905	1.4
83.97910	0.4
85.02824	7.6
87.00756	2.8
93.03329	6.1
99.04423	0.7
109.02825	0.9
111.04415	3.1
119.74078	0.4
127.03903	1.9
137.02333	0.4
155.03476	2.3
161.13255	0.8
171.02924	0.5
173.04468	10.5
187.11160	0.6
191.05542	100.0
192.05919	4.2
207.10338	0.4
223.13344	20.5
224.13690	1.7
267.12363	9.4
268.12677	0.7
296.86917	0.4
441.17648	12.7
442.18002	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27346	0.8
57.17980	0.7
59.01253	100.0
60.01578	1.6
62.79636	0.8
63.34504	0.7
71.52872	0.9
100.45911	0.9
104.10400	0.8
113.01855	0.8
121.02718	0.9
136.41745	1.0
200.30194	0.8
209.11722	0.9
215.47983	0.8
216.86412	0.9
221.80348	0.9
238.11179	0.8
289.18088	2.6
307.19116	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01572	2.2
65.32146	1.3
70.37585	1.2
71.44669	1.1
71.53714	1.9
87.00783	1.5
119.61256	1.2
153.94162	1.2
163.59737	1.5
289.18097	2.4
307.19370	2.2
311.44681	1.4
411.28757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28089	0.2
54.10978	0.2
57.03320	0.4
59.01252	3.1
60.99182	0.6
61.99754	0.2
67.01768	1.0
69.03330	0.6
69.40636	1.6
69.41052	0.5
71.01250	1.0
73.02836	0.4
74.08367	0.2
81.03330	0.5
83.04903	0.5
85.02823	8.2
87.00749	2.6
93.03339	8.6
95.09595	0.2
99.00729	0.2
99.04381	0.5
101.02382	0.2
109.02840	0.9
111.04389	1.9
113.02272	0.2
125.70514	0.2
127.03898	2.3
129.01837	0.3
134.03677	0.4
137.02356	0.5
155.03423	0.4
166.02608	0.3
171.02904	0.7
173.04472	3.9
191.05550	100.0
192.05899	3.5
192.07487	0.4
223.13344	0.4
232.43764	0.2
233.37103	0.2
247.57297	0.3
267.12482	0.3
350.15863	0.2
413.87000	0.2
441.11960	1.2
441.17609	17.1
442.17990	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	4.2
66.91591	3.1
71.01288	2.2
71.53587	2.9
71.82022	2.3
73.02837	3.0
85.02820	5.1
88.28447	2.6
89.02309	2.6
107.35695	2.4
108.29631	2.1
133.41310	2.3
137.30154	2.2
147.29358	2.2
149.60841	2.5
152.99577	2.5
161.04515	20.4
162.04596	2.4
277.21741	100.0
278.22119	14.8
321.08975	2.4
334.38574	2.9
385.22012	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	441.0827
Annotation	Arteminorin A
Peak:m/z	Relative Intensity
59.01245	1.8
62.37091	0.5
70.08970	2.2
82.95982	0.6
88.52478	0.5
89.03843	0.9
93.03320	0.9
95.01244	0.8
98.20519	0.8
107.01272	0.7
108.02052	0.7
109.02858	0.6
109.99952	0.6
111.00770	4.9
119.04942	0.6
123.00782	1.8
124.01518	1.2
125.02309	2.5
133.02859	3.5
134.03601	0.9
135.04424	0.5
137.02345	3.0
139.17133	0.6
143.04828	0.6
145.02853	2.5
147.04393	0.6
148.01587	1.0
149.02338	1.3
151.00281	3.1
160.01596	0.6
161.02357	9.6
162.03125	3.6
163.00221	0.8
173.04413	1.1
174.03079	0.7
176.01086	1.2
177.01859	30.2
178.02217	1.7
179.03519	0.6
185.02432	1.2
186.03142	0.6
189.01863	4.3
190.02678	7.9
191.03146	0.5
192.04240	4.0
193.05055	1.2
199.03970	0.7
201.01884	0.5
202.02704	0.6
205.01454	0.6
207.06537	1.2
209.05910	0.6
213.01852	1.7
214.02646	1.0
215.03355	0.8
216.04236	0.5
222.01750	0.6
225.05484	1.7
229.01408	0.6
230.05678	0.5
231.06516	1.0
237.05540	0.6
241.01280	1.8
244.03709	0.7
245.04424	1.1
246.61862	0.6
249.05534	1.8
250.06314	1.7
251.07159	1.2
252.04387	0.9
253.05058	1.4
254.05872	0.6
258.01706	1.4
261.05811	0.6
265.05002	1.6
266.05890	1.5
267.06674	1.3
271.06143	0.6
273.04028	4.7
274.04654	0.7
277.05057	2.9
278.05872	2.7
279.06586	2.2
280.03668	1.1
281.04498	1.4
293.04645	1.5
294.05283	1.9
294.08633	0.5
295.06143	2.3
297.04013	0.6
304.03824	0.6
305.04514	2.9
306.05368	4.2
309.04099	4.9
312.06412	3.3
321.03958	1.9
321.07706	1.6
322.04807	5.3
323.05579	9.4
324.06189	1.6
333.04065	1.7
337.07193	3.9
338.08008	3.0
339.04877	0.7
339.08542	0.8
349.03610	1.5
350.04279	8.6
351.04590	1.3
353.10339	1.9
354.07437	1.4
365.06613	10.8
366.06949	1.0
381.06183	1.8
382.06845	6.5
395.82599	0.6
397.09271	100.0
398.09625	13.1
409.05585	2.8
441.08179	12.7
441.13776	0.9
442.08618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.01250	0.7
62.89602	0.5
69.87462	0.6
70.84923	1.4
76.93221	0.5
78.30093	0.5
78.95778	54.4
80.26649	0.5
85.70542	0.4
85.90768	0.5
96.96841	6.7
110.98441	0.8
119.73421	0.5
150.97914	1.7
152.99493	100.0
153.99849	1.6
156.52417	0.5
163.63884	0.6
171.00552	3.7
185.02135	1.3
187.78357	0.5
265.24771	0.5
267.23361	2.2
281.24918	1.0
329.53494	0.5
435.25153	5.4
435.30392	1.0
436.25589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70913	0.3
53.53010	0.2
59.01254	1.4
64.62744	0.3
70.39655	1.0
71.01247	1.2
75.00746	0.3
78.95776	52.6
82.74483	0.3
83.58316	0.2
85.95621	0.3
89.02336	1.1
96.95944	7.6
96.96838	100.0
99.00755	0.5
101.02320	0.5
112.98652	1.1
113.02367	0.3
115.00243	0.7
128.03429	0.4
129.84448	0.3
142.99786	0.4
145.01311	0.3
171.00827	0.4
173.06241	0.3
233.04585	0.3
246.67339	0.3
261.55206	0.3
263.05707	0.9
278.38333	0.3
299.80194	0.3
341.10800	0.9
439.08383	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	439.1399
Annotation	Pharacine
Peak:m/z	Relative Intensity
59.01262	3.2
65.10972	0.4
71.01254	1.2
71.52989	0.4
87.00740	1.1
93.03293	0.5
97.02798	0.5
101.02338	0.5
119.04917	0.7
121.02824	0.5
123.04352	0.6
137.02348	1.1
147.04414	2.0
148.05182	0.9
149.05988	0.5
154.17578	0.4
159.04390	0.5
163.00285	0.5
171.10188	0.5
177.01872	0.7
178.98419	0.5
189.01790	0.6
191.03397	0.9
192.04141	0.8
193.04779	0.5
203.03436	0.4
211.04024	0.7
211.13353	0.8
214.02637	0.5
214.05832	0.5
216.00542	0.5
217.04938	0.5
218.05777	0.5
225.01808	0.8
225.05568	0.5
227.03584	0.5
228.75429	0.5
229.04883	0.8
235.03940	0.5
239.03508	1.1
240.04216	0.6
241.01514	0.6
241.04671	0.4
251.03378	1.3
253.01538	0.6
253.05153	0.5
254.02301	0.6
255.03046	0.7
257.40775	0.5
263.03262	0.6
265.04947	0.7
267.03006	1.7
268.03622	0.6
269.00894	2.0
269.08276	0.8
278.09222	0.5
279.02945	1.2
279.06381	0.9
280.15039	0.5
283.02515	1.3
284.03281	2.6
293.04834	0.8
293.08093	1.1
294.09058	1.1
295.02518	3.2
296.02917	0.5
297.00464	1.3
299.05588	1.0
305.08252	0.6
307.02545	0.9
309.00360	1.1
309.04001	1.9
310.01157	1.0
310.04602	1.1
310.08435	1.4
311.01962	1.4
311.05276	0.8
312.02679	2.7
313.03366	0.6
314.07990	0.8
321.07681	1.6
322.08328	1.1
323.02005	6.0
323.05527	1.1
324.02591	1.6
326.04263	0.8
327.05133	1.8
336.99835	1.0
337.03494	2.7
337.07159	1.7
337.10617	0.6
338.04465	0.9
338.08115	1.7
341.06317	0.7
342.03116	0.8
342.07346	7.5
343.07886	0.8
349.07336	0.9
350.08060	0.9
351.01419	1.4
351.05115	1.0
351.08737	0.6
352.02054	1.5
353.06534	1.4
353.10306	3.7
365.02747	0.7
365.06601	1.6
365.10532	0.8
366.03580	1.1
366.07407	2.0
367.08121	1.1
367.12112	0.7
377.06628	0.8
380.08997	2.3
381.06494	1.7
381.09885	21.7
382.05823	0.7
382.10419	2.7
391.08194	1.1
394.06885	1.0
395.07162	0.6
395.11444	5.1
396.12045	2.4
409.09293	37.4
410.09637	4.6
411.14502	3.6
423.10898	2.3
424.11563	6.1
439.13962	100.0
440.14310	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	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01128	0.7
59.01236	1.2
65.03841	1.1
69.65204	3.6
71.01279	1.0
79.05406	1.1
87.00742	0.8
91.05412	1.2
93.03337	9.2
95.01253	2.9
95.04897	0.9
101.02334	0.8
101.55716	0.9
105.03322	0.8
106.04125	1.0
107.04900	2.4
109.02827	5.1
119.04904	3.0
121.02829	4.4
122.03632	4.1
123.04410	25.3
124.04752	1.0
128.26141	0.8
131.04910	1.1
133.02867	1.7
134.03656	4.0
135.04416	28.1
136.05241	5.3
137.02348	1.9
137.05983	6.5
145.02821	2.0
147.04385	2.4
148.01573	15.0
149.02373	4.8
149.05952	2.2
150.03122	5.5
151.03918	17.1
161.02350	15.1
162.03142	38.0
163.03928	40.6
164.04420	3.0
165.01814	2.4
165.05496	3.9
166.02611	0.9
167.03346	2.8
174.03172	1.4
175.03947	4.7
177.05476	1.9
178.02686	1.0
179.03439	4.1
181.04947	3.7
182.06964	1.2
189.01865	5.7
189.05597	0.9
190.02641	27.6
191.03424	29.5
192.03964	3.4
193.04941	3.2
202.02620	2.3
203.03418	4.2
204.04138	2.2
207.02937	2.1
208.03638	1.2
209.04488	17.5
220.03714	15.7
221.04494	15.5
232.03726	1.0
239.05525	5.7
241.08760	1.7
243.10262	2.4
251.07220	1.5
253.08698	1.2
255.06467	1.3
269.08170	3.3
271.09747	3.4
283.09659	1.6
297.07703	16.0
298.07974	1.6
299.09241	3.0
309.07605	1.2
315.08740	100.0
316.09006	7.4
327.08743	5.8
345.09802	40.6
346.10126	3.9
357.09781	3.3
387.10620	1.2
399.10745	1.0
411.97809	0.9
415.07150	1.2
417.11871	3.8
435.12912	10.8
436.13519	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	15.9
59.25095	11.5
66.17439	10.9
71.24176	23.0
100.72106	11.5
149.02301	26.1
150.03107	28.0
164.04715	15.3
165.05457	100.0
173.80608	11.9
195.06512	33.3
270.79971	15.6
327.10831	25.1
366.24567	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	435.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09138	3.3
57.03334	3.4
59.01253	16.0
61.84754	3.5
68.20474	3.2
71.10828	7.9
72.02057	4.0
83.04868	3.7
91.06612	4.0
104.24355	3.6
109.06522	3.7
148.52617	3.6
173.58931	3.8
205.98833	3.5
261.22226	73.8
262.22644	10.3
287.20178	7.9
303.23389	10.1
305.21194	54.2
306.21561	4.4
315.53952	4.5
331.19193	13.0
347.22238	100.0
348.22723	13.5
349.20157	40.4
391.21243	32.7
392.21841	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85105	0.5
55.01754	1.1
57.03323	5.6
58.00470	1.2
59.01253	36.0
60.01587	0.8
67.01755	1.3
68.99673	0.8
69.03328	6.8
71.01257	19.2
71.04892	1.0
72.99168	4.4
73.02822	2.8
75.00745	12.9
83.01257	1.9
85.02827	16.2
86.03210	0.5
87.00753	5.9
89.02323	9.5
91.03847	0.7
93.03352	1.1
94.65753	0.6
95.01262	4.4
98.19740	1.1
99.00764	7.7
101.02342	5.6
103.00248	1.5
111.00770	1.1
111.08060	1.5
113.02328	23.1
113.05924	1.0
114.02666	0.5
115.00238	1.0
117.01824	2.6
119.03404	2.4
119.81548	0.6
129.01878	1.2
131.03398	0.7
139.00288	0.7
139.11195	10.4
140.11557	0.8
157.01343	1.1
161.04436	1.7
163.29041	0.6
164.53059	0.6
175.02367	2.1
179.05478	1.8
183.10194	16.9
184.10490	1.1
189.03960	0.7
207.04810	0.6
231.05096	2.7
249.06128	26.2
250.06375	1.0
267.07184	8.9
271.06064	0.9
272.05798	0.5
285.17072	0.9
391.23438	1.4
393.86087	0.6
415.16202	2.1
433.17139	100.0
434.17563	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	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01260	2.3
62.96265	0.4
69.04674	0.4
69.58523	2.0
78.95779	70.5
79.06929	0.4
96.96850	5.5
105.73248	0.4
111.17580	0.4
117.69488	0.3
150.97911	1.6
152.99495	100.0
153.99841	2.0
171.00549	3.1
275.51102	0.4
279.23364	1.7
279.39548	0.4
294.43588	0.4
327.10800	0.4
433.23624	12.1
433.28586	0.4
434.23941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01823	0.2
53.17433	0.3
59.01252	100.0
60.01588	1.1
71.01254	5.4
71.30719	0.6
72.99197	0.4
73.02831	1.4
83.01266	0.8
85.02830	2.4
87.00761	1.1
89.02317	1.8
95.01291	0.4
99.00790	0.5
101.02328	3.9
109.02857	0.3
113.02331	3.1
116.92764	0.4
119.03403	0.7
143.03415	0.4
161.04440	1.6
165.01799	2.5
171.89185	0.3
173.04625	0.4
179.05544	0.4
196.86052	0.3
229.18188	0.9
271.06100	1.4
271.19241	0.6
301.10065	0.3
313.07404	0.4
373.22263	1.7
391.23337	3.1
433.11584	0.8
433.24484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01823	0.2
53.17433	0.3
59.01252	100.0
60.01588	1.1
71.01254	5.4
71.30719	0.6
72.99197	0.4
73.02831	1.4
83.01266	0.8
85.02830	2.4
87.00761	1.1
89.02317	1.8
95.01291	0.4
99.00790	0.5
101.02328	3.9
109.02857	0.3
113.02331	3.1
116.92764	0.4
119.03403	0.7
143.03415	0.4
161.04440	1.6
165.01799	2.5
171.89185	0.3
173.04625	0.4
179.05544	0.4
196.86052	0.3
229.18188	0.9
271.06100	1.4
271.19241	0.6
301.10065	0.3
313.07404	0.4
373.22263	1.7
391.23337	3.1
433.11584	0.8
433.24484	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	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32819	2.3
59.01260	21.6
67.61623	2.3
71.01248	8.4
71.53460	3.5
74.96886	2.7
75.00755	4.2
85.02853	4.0
87.00751	4.9
89.02321	4.4
93.03324	5.0
95.01259	3.3
96.95877	6.8
97.06433	2.6
101.02328	6.6
107.04931	13.4
108.02023	4.2
109.02831	11.4
119.04898	2.3
121.02843	8.0
123.04414	40.3
124.04646	3.0
125.03504	3.2
135.04420	23.4
136.05176	4.7
137.02344	5.8
145.02843	12.1
148.01546	4.5
149.02364	3.3
149.05980	3.3
150.03116	4.3
151.03926	32.9
155.10641	2.9
161.02339	10.2
162.03137	29.1
163.03932	30.6
165.05470	3.2
175.03941	4.0
178.05035	3.2
179.03406	4.9
181.05022	11.5
187.57892	2.5
189.01947	6.5
190.02658	36.4
191.05582	6.1
192.04268	3.5
220.03741	22.5
253.08800	3.0
255.06593	6.3
255.16061	5.3
273.07516	7.6
297.07599	12.3
315.08755	100.0
316.09070	12.0
327.08636	9.7
345.09735	38.2
346.10052	4.9
357.09888	3.5
417.12122	3.7
435.13150	11.3
435.22256	10.8
436.07101	4.3
436.25308	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03328	1.5
59.01253	7.5
65.37022	1.4
68.86599	1.7
70.44527	4.9
71.01245	3.5
71.45406	1.3
79.05402	3.4
85.02839	1.6
86.25525	1.6
91.05377	1.6
93.03335	3.0
94.77726	1.4
95.01254	2.8
100.21720	1.4
101.02316	2.0
105.03338	3.8
107.04893	3.0
109.02852	9.7
119.04923	2.9
121.02861	9.6
122.03683	3.7
123.04414	54.8
133.02856	4.5
135.04427	17.1
137.02304	3.6
138.03122	1.9
149.02356	11.3
150.03140	10.4
151.03935	14.4
160.68498	1.8
161.02374	1.8
163.03938	24.5
164.42545	1.6
167.03418	2.5
172.47089	1.5
177.01828	2.4
178.02647	4.4
179.03326	2.1
181.04985	5.9
182.02104	2.6
195.02864	2.1
205.01416	4.5
207.02940	3.7
208.03612	1.7
213.09137	2.2
235.02356	1.6
239.06931	2.6
241.08652	5.3
243.06598	8.2
255.06706	2.3
257.08127	10.3
267.06845	2.0
269.08130	4.1
271.06146	1.7
281.08157	1.8
285.04645	2.6
285.07690	44.2
286.08075	3.8
297.07745	10.2
298.07968	2.1
313.07199	100.0
314.07504	9.2
315.06201	1.5
315.08865	14.4
316.09244	2.2
343.08240	46.1
344.08652	3.4
355.08316	3.8
415.10156	4.8
433.11389	21.2
434.11551	3.8
450.76270	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	433.1502
Annotation	(3R)-Vestitol 7-O-glucoside
Peak:m/z	Relative Intensity
52.21273	0.3
59.01249	0.4
65.03825	1.7
67.01782	0.5
68.90110	0.4
69.37903	3.2
71.01268	1.4
72.99197	0.8
86.19587	0.4
87.00751	1.3
91.05404	4.9
93.03349	1.5
95.01302	0.4
107.04963	0.5
107.12908	0.3
108.02038	3.0
109.02837	27.1
110.03181	0.6
115.84555	0.4
119.04923	0.4
121.02843	11.6
123.04418	4.3
133.02812	0.9
134.03625	7.1
135.04416	62.7
136.04736	2.7
146.03635	1.3
147.04424	7.0
149.05989	16.3
149.07201	0.8
150.06302	0.8
159.04424	0.4
161.02394	0.7
162.03079	0.4
164.88158	0.3
166.64598	0.4
173.02319	0.7
173.05963	1.2
174.06718	0.5
175.04033	0.7
175.07614	0.5
177.05548	0.4
185.06038	0.8
186.06813	1.1
187.07599	0.7
188.04668	0.9
189.05495	1.1
190.02629	1.2
197.06015	2.3
201.05511	1.1
201.09129	0.8
202.06268	1.3
203.07062	1.6
203.10773	0.6
207.74539	0.4
211.07713	0.7
212.08342	1.6
213.05467	1.1
213.08913	0.4
214.06242	1.5
219.03023	0.5
219.06477	0.8
228.08003	0.5
229.08627	1.8
238.06294	1.5
241.05019	1.6
247.06079	0.9
248.06906	5.9
249.07298	0.5
253.08673	1.7
255.06606	0.8
256.07315	2.5
271.09747	100.0
272.10083	10.1
274.08481	0.6
345.13574	0.5
354.68036	0.5
433.14951	5.5
434.15152	0.9
451.79099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1504
Annotation	(3R)-Vestitol 7-O-glucoside
Peak:m/z	Relative Intensity
56.84694	0.5
59.01254	4.0
65.03832	0.7
71.01266	3.4
72.99186	2.1
73.02825	1.1
83.01231	0.5
85.02827	1.3
87.00760	2.6
91.05407	2.2
93.03338	0.7
98.38973	0.5
99.34307	0.5
101.02346	1.2
107.61440	0.5
108.02060	2.1
109.02839	15.1
110.03178	0.5
112.43911	0.5
113.02312	0.5
113.19186	0.5
116.92741	3.6
121.02850	23.9
122.03671	7.8
123.04410	4.4
133.02814	0.5
134.03670	4.2
135.04416	24.8
136.04738	1.0
145.02811	0.7
146.03613	0.8
147.04420	5.2
148.05164	0.9
149.06003	7.5
157.06497	0.7
159.04358	0.8
160.01538	0.6
161.02339	2.1
161.05911	0.5
162.03085	0.9
163.03873	0.8
172.05199	0.7
173.02400	0.8
173.05991	2.3
174.03123	0.7
174.06795	0.6
175.03940	1.6
175.07581	1.1
177.05530	0.9
185.06001	0.8
186.06778	1.3
187.04008	0.7
188.04721	0.9
189.00017	0.8
189.05482	1.8
190.02678	2.1
190.06209	0.6
191.03485	1.1
193.05037	1.4
197.05981	1.1
201.05513	3.3
201.09119	1.4
202.06239	1.9
203.01711	1.3
203.07059	1.7
211.07587	1.9
212.08319	1.7
214.06308	2.1
215.07097	0.7
217.08743	0.6
219.02939	1.2
219.06551	1.8
220.07378	0.6
227.07019	0.9
229.05057	1.4
229.08604	2.4
230.05775	1.0
238.06363	1.0
241.05037	2.1
245.16959	0.5
247.06175	2.4
248.06886	12.8
249.07176	1.2
253.08804	1.4
256.07401	2.9
271.09756	100.0
272.10107	8.2
292.09494	1.0
299.13031	1.1
327.12469	1.5
327.15897	0.7
345.13412	2.0
371.15100	0.7
389.16104	0.9
432.23352	1.1
433.15125	11.3
434.15305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03313	0.4
59.01253	8.4
60.01577	0.5
65.00195	3.4
65.03823	0.3
67.01752	0.3
68.99667	0.6
69.03316	0.8
69.21732	1.0
69.22150	1.7
71.01253	2.4
73.02814	0.5
73.69339	0.2
75.00739	0.8
77.03815	0.5
79.01755	0.6
81.03336	2.3
83.01254	3.5
85.02808	1.1
87.00749	1.0
89.02337	1.6
93.03346	6.4
95.01262	1.4
95.04881	0.4
97.02248	0.4
97.02832	4.6
99.00728	0.5
99.04371	0.4
101.02309	1.1
105.03345	1.6
107.00622	0.4
107.01271	3.9
107.04897	0.4
109.02885	1.3
111.00737	0.4
111.04406	0.4
113.02319	0.9
117.03342	1.1
117.04156	0.3
119.01276	0.4
119.04919	34.2
120.05261	1.3
121.01981	0.3
121.02847	5.6
123.00774	1.9
123.04400	1.3
125.02340	13.4
126.02637	0.4
133.02808	0.8
133.06491	0.3
135.00751	0.5
135.04411	1.1
136.01518	0.7
137.02342	3.7
138.02704	0.3
139.03860	0.5
141.01834	0.4
143.04929	3.9
145.02875	3.4
146.03323	0.3
147.04396	0.8
149.01221	0.5
149.02345	6.5
150.02892	0.3
151.00281	10.5
151.03886	0.9
152.00616	0.3
153.01849	0.4
155.03432	1.4
157.06470	0.4
159.04486	0.3
159.24841	0.2
161.02318	0.8
161.04564	0.5
161.05952	1.3
163.00273	5.4
163.03896	1.6
163.43051	0.3
164.01085	1.3
164.04727	0.5
165.01848	10.4
165.05463	0.8
166.02251	0.6
167.03403	4.3
169.01337	0.4
173.06024	0.4
175.03934	0.5
177.01872	2.4
179.03415	2.1
179.06973	0.3
181.01367	0.5
181.04941	0.4
184.05351	0.3
185.05983	1.6
187.03915	3.5
189.01945	0.3
190.99748	1.0
191.03432	2.0
191.05293	0.3
193.01358	27.2
194.01689	1.5
197.04445	0.5
199.07536	1.2
203.03435	0.3
203.07002	0.6
205.01372	1.5
207.02946	2.3
211.02432	0.7
215.07162	0.3
217.01617	0.3
219.02940	3.0
220.03349	0.3
223.02446	4.0
223.07628	0.4
225.05406	0.4
226.06163	0.5
227.07095	1.7
229.05037	1.2
231.02835	0.5
239.07182	0.4
241.08714	1.4
243.06567	0.5
245.08182	0.8
249.03957	0.6
257.08075	0.3
267.06998	0.4
269.08185	2.0
271.06140	9.9
272.06375	1.0
283.06128	2.5
285.07574	1.0
285.13605	0.5
285.16867	0.4
295.35764	0.3
297.07742	0.7
311.05594	0.5
313.07172	100.0
314.03925	0.6
314.07516	10.6
325.07217	2.2
327.12604	0.3
343.08215	25.7
344.08615	3.0
355.08218	1.2
361.16519	0.5
385.09122	0.4
389.16058	0.7
397.09433	0.6
415.01755	0.3
415.10281	1.7
432.83459	0.3
433.11383	16.3
433.20920	1.1
434.11789	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85877	0.8
55.01752	1.6
57.03316	1.3
59.01249	14.2
65.00191	4.2
68.99725	0.9
69.03323	1.0
69.35403	5.1
69.35813	1.7
71.01263	5.1
71.16898	0.8
75.00743	1.0
76.59342	0.8
79.01771	0.9
81.03321	3.4
83.01267	3.3
85.02834	2.6
87.00761	1.7
89.02308	2.7
93.03333	6.9
95.01263	1.8
95.04907	1.1
97.02853	4.2
101.02338	3.9
105.03348	2.5
105.96260	0.9
107.01274	5.5
108.02056	1.2
109.02844	1.5
113.02338	2.1
117.03360	1.0
119.01302	0.8
119.04919	42.3
120.05260	1.8
121.02855	8.4
123.00784	2.5
123.04411	1.7
125.02341	15.7
126.02663	0.8
128.24936	0.8
133.02884	1.5
135.00769	1.1
135.04424	1.7
137.02361	3.7
143.04924	4.5
145.02846	2.9
147.04495	1.5
149.02354	7.2
150.03001	0.9
151.00269	14.6
151.03888	0.8
155.03323	1.6
161.04602	1.0
161.05927	1.8
163.00294	7.0
163.03941	1.5
163.49103	0.9
164.01028	2.0
165.01863	12.0
167.03413	3.4
167.39854	1.0
177.01840	3.2
179.03461	2.0
185.06038	1.5
187.03954	3.9
191.03413	2.3
193.01361	29.6
194.01669	0.9
205.01328	2.1
207.03000	2.0
212.59833	1.0
219.02954	3.0
223.02467	4.6
223.07515	0.9
226.06303	0.9
227.07034	1.5
239.07138	1.0
241.08565	0.9
269.08200	1.9
271.06116	11.1
272.06268	1.0
283.06122	2.7
285.17075	1.6
297.07605	1.0
306.25262	0.8
313.07175	100.0
314.07547	10.4
325.07242	2.1
343.04153	1.7
343.08200	26.5
343.12354	1.6
344.08557	3.2
347.29788	0.8
415.10300	1.3
433.11346	21.5
433.20682	2.4
434.11652	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28152	0.3
57.03336	0.4
59.01252	100.0
60.01591	1.8
66.91164	0.3
71.01249	4.5
71.22942	0.3
71.75127	0.2
72.99194	0.5
73.02832	1.1
75.00762	0.5
75.06960	0.3
83.01292	0.6
85.02827	1.3
87.00770	1.2
89.02314	4.6
93.03350	1.0
95.01266	0.3
98.19757	0.8
99.00778	0.4
101.02323	3.4
109.06548	0.3
113.02321	2.2
119.03390	2.3
119.04916	0.4
121.02895	0.3
123.98952	0.2
125.02393	0.3
125.15481	0.2
127.03873	0.3
137.02364	0.8
143.03441	0.5
147.02905	0.3
147.04408	0.3
149.05972	0.6
151.03903	0.3
161.04501	0.7
163.03976	0.4
165.05559	0.4
173.04472	0.5
179.05550	0.9
191.05545	3.5
193.05035	0.3
213.09215	0.5
230.27641	0.3
257.08237	0.8
269.04642	0.6
361.90070	0.3
389.21820	0.4
431.09454	0.5
431.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
59.01254	100.0
60.01593	1.7
60.19498	0.4
61.18619	0.4
61.96475	0.4
61.98701	2.2
66.90025	0.3
69.20625	2.7
69.21033	0.9
71.01259	3.6
72.99204	0.5
73.02813	0.8
75.00775	0.9
83.01279	0.4
84.89941	0.4
85.02834	1.7
87.00750	1.9
89.02304	2.3
91.07481	0.4
93.03353	0.8
95.01282	0.8
96.95861	0.5
98.19812	0.7
99.00777	0.9
101.02343	1.9
113.02322	2.1
119.03438	1.0
121.02833	0.3
129.01805	0.4
133.02872	0.6
134.03618	1.4
135.39931	0.3
137.09624	0.8
147.04454	0.8
149.06006	2.6
159.03116	0.4
161.02469	0.5
161.04463	0.7
162.06763	0.3
165.03979	0.9
173.04506	0.7
175.04037	0.4
181.08620	0.5
191.05582	0.7
193.05000	2.8
194.05531	0.5
227.06793	0.4
249.06075	2.3
267.07220	0.7
295.20474	0.4
311.05704	0.6
331.03949	0.4
396.09567	0.5
414.60596	0.5
428.92657	0.5
431.10110	1.5
431.15704	3.8
432.15564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.7
70.19271	1.0
71.01250	3.0
72.43376	0.3
72.99158	0.3
73.02822	1.3
85.02811	0.6
87.00748	0.9
89.02316	1.9
95.01328	0.2
99.00768	1.2
101.02288	1.2
111.00761	0.5
113.02321	0.8
115.43542	0.2
123.03144	4.8
126.73558	0.3
129.01805	0.3
130.30028	0.3
131.03276	0.2
136.07616	0.3
138.01938	3.5
138.05505	100.0
139.02249	0.3
139.05865	3.8
140.07083	1.7
148.63455	0.3
152.07068	0.3
153.04193	0.3
161.04494	1.5
165.04169	0.3
167.05757	0.3
180.06609	1.7
181.06879	0.3
182.08151	0.8
264.63806	0.3
300.10855	7.4
301.11295	0.5
302.12344	1.3
313.06552	0.3
432.15103	14.5
433.15463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65745	0.4
55.01772	0.6
57.03320	1.5
58.00469	0.7
59.01252	44.8
60.01608	0.5
65.00185	0.7
71.01256	19.6
71.04881	0.4
71.53107	0.7
72.99183	0.9
73.02819	4.4
83.01263	2.8
85.02823	6.2
85.03301	0.5
87.00757	3.6
87.04408	0.8
89.02321	10.5
93.03331	0.9
95.01271	1.2
97.06412	0.6
99.00779	1.4
99.58330	0.3
101.02327	12.8
107.01289	2.0
108.02081	1.9
109.02833	1.1
111.00740	0.7
113.02337	7.5
117.03344	0.5
117.23979	0.4
119.03407	4.6
119.04866	0.6
121.02847	1.7
124.01588	0.4
125.02331	0.6
131.03401	0.7
133.02811	0.5
134.83687	0.4
135.00797	0.6
137.02345	1.0
139.03934	0.5
143.03407	1.3
145.02904	0.7
147.04454	0.7
148.01593	1.8
149.02382	0.8
149.04456	0.5
149.05968	0.8
151.00288	6.4
157.52980	0.4
159.02934	1.2
159.04381	0.6
161.02414	0.4
161.04486	5.3
163.00287	1.7
163.03915	0.5
164.01076	0.7
165.01804	0.4
169.01402	0.4
173.04507	0.5
173.05907	0.4
175.04036	0.5
178.99779	3.3
179.05515	1.9
183.04538	0.6
183.38396	0.4
187.03833	0.5
191.03462	1.5
191.05409	0.4
192.00574	0.5
193.01266	0.4
198.03091	0.5
199.03940	0.8
201.05536	0.7
203.03406	0.6
211.03978	0.7
215.03452	0.9
226.02667	1.5
227.03476	2.8
229.05096	0.5
242.25543	0.4
243.02980	10.5
244.03326	0.6
245.04710	0.7
254.02185	1.8
255.02968	22.4
256.03366	2.5
271.02478	55.2
271.19226	3.1
272.02924	5.7
272.91953	0.4
273.03964	0.8
283.13065	0.4
285.16928	0.9
299.01910	1.9
300.02753	100.0
301.03421	27.0
302.03864	1.4
313.07220	1.1
389.15308	0.6
433.07733	56.6
433.24423	15.7
434.08109	7.7
434.24561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
59.01254	100.0
60.01593	1.7
60.19498	0.4
61.18619	0.4
61.96475	0.4
61.98701	2.2
66.90025	0.3
69.20625	2.7
69.21033	0.9
71.01259	3.6
72.99204	0.5
73.02813	0.8
75.00775	0.9
83.01279	0.4
84.89941	0.4
85.02834	1.7
87.00750	1.9
89.02304	2.3
91.07481	0.4
93.03353	0.8
95.01282	0.8
96.95861	0.5
98.19812	0.7
99.00777	0.9
101.02343	1.9
113.02322	2.1
119.03438	1.0
121.02833	0.3
129.01805	0.4
133.02872	0.6
134.03618	1.4
135.39931	0.3
137.09624	0.8
147.04454	0.8
149.06006	2.6
159.03116	0.4
161.02469	0.5
161.04463	0.7
162.06763	0.3
165.03979	0.9
173.04506	0.7
175.04037	0.4
181.08620	0.5
191.05582	0.7
193.05000	2.8
194.05531	0.5
227.06793	0.4
249.06075	2.3
267.07220	0.7
295.20474	0.4
311.05704	0.6
331.03949	0.4
396.09567	0.5
414.60596	0.5
428.92657	0.5
431.10110	1.5
431.15704	3.8
432.15564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.2
57.03326	0.4
58.00455	0.2
59.01250	100.0
60.01583	1.2
70.03328	0.1
71.01246	3.8
72.86670	0.1
72.95804	0.1
72.99181	0.4
73.02824	1.0
75.43100	0.1
83.01281	0.6
84.02062	0.1
85.02824	2.2
87.00749	0.7
89.02319	2.0
93.03366	0.3
95.01294	0.4
95.04924	0.1
96.95889	0.9
99.00784	0.5
101.02319	2.2
109.02867	0.1
111.00759	0.2
113.02327	2.6
114.08076	0.1
119.03398	0.6
121.02863	0.2
125.02312	0.2
129.01855	0.2
134.03648	0.3
135.04440	0.3
136.93153	0.1
137.02373	0.2
143.03384	0.2
145.02876	0.2
147.04422	0.4
148.04875	0.1
149.05998	1.1
150.06358	0.2
153.12776	0.2
159.02983	0.2
159.04393	0.3
161.04507	0.8
173.04626	0.2
179.05563	0.1
179.10655	0.1
191.05531	0.3
192.04306	0.1
193.04990	1.1
209.15572	0.2
219.02940	0.2
227.16557	0.4
249.06078	0.2
257.08374	0.3
268.03845	0.5
269.04599	0.2
311.05511	0.1
371.20682	1.0
389.21848	1.9
431.09860	0.3
431.23471	0.2
432.10825	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
59.01253	100.0
60.01579	1.1
61.98705	1.3
69.19928	2.5
70.24683	0.2
71.01262	2.6
72.63461	0.2
72.99187	0.5
73.02817	0.8
75.00761	0.8
83.01276	0.4
83.34550	0.2
85.02838	1.2
87.00747	1.2
89.02316	1.6
93.03367	0.5
95.01247	0.3
99.00752	0.6
99.04435	0.4
101.02327	1.6
101.51636	0.3
109.02833	0.4
113.02314	1.5
119.03420	0.6
119.05018	0.3
119.08617	0.3
123.04440	0.7
125.02316	0.3
134.03654	0.9
137.02390	0.7
137.09668	1.1
147.04488	0.7
148.05296	0.4
149.05971	2.3
161.02399	0.2
161.04544	0.5
165.04027	0.8
166.11935	0.3
173.04504	0.6
175.03979	0.5
181.08698	0.6
191.05669	0.6
193.05025	2.7
213.11270	0.6
219.02992	0.4
231.05292	0.3
249.06168	2.0
257.10214	0.3
267.07080	0.4
269.04446	0.2
275.48932	0.2
283.06219	0.8
283.11990	0.4
293.04739	0.5
311.05743	1.2
371.21100	0.3
388.91888	0.3
389.21567	0.3
413.09082	0.3
429.66248	0.2
431.10172	1.0
431.15750	2.5
432.15771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.3
53.98684	0.3
54.00559	0.3
55.01765	0.6
57.03320	1.0
57.04189	0.3
58.00471	1.3
59.01252	100.0
60.01587	1.2
61.42905	0.3
69.03341	1.2
69.62936	0.4
70.20872	0.5
70.21267	0.7
71.01254	29.2
72.01589	0.4
72.99188	1.3
73.02819	32.6
74.03186	0.7
75.00746	0.9
80.95489	0.3
83.01261	9.4
83.04887	0.3
84.01613	0.4
85.02821	5.0
87.00757	2.5
89.02323	7.8
90.68990	0.3
95.01281	1.2
97.02866	1.0
99.00764	1.3
101.02325	28.2
102.02674	0.4
108.02063	0.4
109.02882	0.3
111.08024	1.7
113.02331	11.8
114.02670	0.4
119.03384	3.6
122.03638	0.4
123.04417	4.0
125.02301	1.5
125.09550	0.5
127.03862	0.3
129.14120	0.3
131.03381	2.7
132.02155	0.6
137.02359	0.6
143.03366	2.4
147.04431	0.5
149.04483	2.4
149.05995	2.0
152.01073	0.8
153.09123	11.5
154.09515	0.5
155.03487	0.6
155.10718	0.3
160.01598	1.7
161.02382	0.6
161.04468	7.2
161.05836	0.4
162.04768	0.4
165.05573	0.7
173.05952	0.4
175.03934	2.1
179.05531	1.0
185.05907	0.4
187.07451	0.4
191.14450	0.5
193.05064	1.3
195.02980	1.2
203.05589	0.7
207.06502	0.5
209.15422	9.1
210.15730	0.8
221.06631	0.9
226.09677	0.3
227.03412	0.4
227.16563	1.1
255.05107	5.9
255.57785	0.3
256.05441	0.5
259.02631	0.3
371.20844	2.7
387.17825	0.5
389.21765	2.6
390.22369	0.3
431.10236	1.3
431.22086	1.6
432.23422	0.5
432.77356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.62043	0.2
57.91552	0.2
59.01236	0.8
62.96255	0.3
70.55307	0.7
78.95777	52.6
84.29675	0.2
86.18692	0.2
96.96844	6.4
108.75568	0.2
150.97896	2.0
152.99493	100.0
153.99837	1.9
171.00555	3.8
175.03348	0.2
277.21689	0.8
288.63812	0.2
431.16498	0.4
431.22070	4.8
432.22665	0.5
450.50406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.8
78.95777	70.6
96.96849	5.6
118.94186	0.4
129.27602	0.4
150.97923	2.2
152.99492	100.0
153.99850	1.5
171.00572	3.6
178.40782	0.4
277.21677	1.1
319.49445	0.5
431.22101	10.2
431.27881	1.0
432.22522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86706	0.4
55.01762	0.9
57.01118	0.4
57.03329	0.9
58.00474	0.8
59.01255	100.0
60.01591	1.6
69.03321	0.8
69.41167	3.7
71.01258	27.1
72.99209	1.6
73.02823	36.0
75.00760	1.0
77.79202	0.5
81.03371	0.6
83.01262	8.1
85.02826	3.9
87.00752	3.4
89.02323	7.8
90.02692	0.5
95.01295	1.7
96.12136	0.5
96.95848	0.6
97.02853	0.6
97.06462	0.5
99.00787	1.0
99.93350	0.5
101.02328	31.1
101.23171	0.4
102.02689	0.5
111.08066	1.8
113.02337	12.2
113.03066	0.8
114.02675	0.4
117.67513	0.5
119.03399	3.6
122.03670	0.6
122.95229	0.5
123.04414	5.8
124.04750	0.6
125.02369	1.9
125.09639	0.5
131.03404	2.7
138.01961	0.7
139.11227	0.6
143.03430	2.4
144.75452	0.4
149.04486	2.7
149.05905	2.2
151.00287	0.5
153.09119	12.4
153.10287	0.8
155.03484	0.9
160.01628	1.8
161.02412	0.6
161.04456	6.3
165.05542	0.9
175.03922	3.1
179.05554	0.7
184.84700	0.5
193.05078	1.2
195.02997	1.5
201.09212	0.7
203.05608	0.6
209.15396	9.7
209.17230	0.7
210.15794	1.0
213.09250	0.5
215.07056	0.7
221.06801	0.8
226.27704	0.5
227.07231	0.7
227.16623	1.0
255.05074	6.0
256.05453	0.7
276.76993	0.5
371.20810	2.8
389.21637	2.9
431.10233	1.5
431.23215	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	431.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35401	1.2
59.01250	7.9
59.36053	1.1
61.49754	1.0
69.40862	9.3
87.00749	100.0
88.01061	1.7
93.03333	4.8
95.04924	1.3
105.03350	2.5
107.04922	3.2
119.04910	3.0
121.02840	37.7
122.03632	22.4
123.04419	14.5
123.07973	1.4
124.01591	1.3
130.99762	45.5
135.04350	1.4
135.08063	1.2
137.02350	6.3
139.03893	1.4
145.02835	1.5
147.04424	24.5
148.05205	12.9
149.02359	2.6
149.05986	10.9
154.02608	2.0
159.11755	2.3
163.03926	9.0
164.04678	7.9
165.05434	4.8
171.04428	3.6
176.04724	1.5
177.12776	45.1
178.13052	2.2
185.05945	1.9
191.03429	10.9
192.04164	4.2
192.11476	18.8
193.04922	4.2
193.11937	1.2
194.02133	1.2
201.09100	1.8
214.75264	1.1
217.08600	1.3
254.04298	51.7
254.36261	1.2
255.04695	3.9
263.20746	1.4
299.16565	4.5
332.09131	1.1
341.17645	1.3
364.05917	1.1
369.16885	2.7
371.14874	9.7
372.15228	2.1
431.17102	66.1
432.17410	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	431.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00889	0.8
59.01261	3.7
70.82934	0.7
71.02426	1.1
71.04884	1.6
73.02811	1.0
79.05412	1.5
87.00752	79.2
88.01122	1.0
91.05407	1.0
93.03349	6.7
95.04907	3.9
97.06461	2.8
105.03352	2.3
107.04906	4.0
108.02073	2.0
114.26170	0.9
119.04913	2.7
121.02847	34.4
121.73843	0.9
122.03649	17.8
123.04413	44.0
123.07971	1.2
124.04733	1.6
130.98770	1.6
130.99759	31.6
135.04399	3.0
135.08034	1.2
137.02373	6.2
139.03917	1.5
145.02861	1.4
146.03618	1.0
147.04428	21.6
147.05595	1.4
148.05214	11.7
149.02321	2.6
149.05978	9.9
150.03159	1.1
154.02617	2.0
159.04474	1.4
159.11710	3.8
160.05260	1.6
161.05879	0.9
163.03915	10.0
164.04701	8.8
165.05492	4.8
171.04419	1.4
173.02399	0.7
175.07539	0.8
176.04744	1.4
177.05388	0.8
177.12766	52.1
178.13055	3.8
185.05948	1.8
191.03433	11.7
192.04213	4.6
192.11469	9.1
193.05078	3.7
193.12180	0.9
201.09070	1.8
203.03505	0.8
213.09221	0.8
215.06998	0.7
215.10655	1.8
216.10570	0.7
225.12892	1.0
227.10725	1.4
239.08984	0.7
245.11786	1.8
254.04305	36.4
255.04707	2.5
299.16553	6.7
300.17099	0.8
304.86108	0.8
341.17520	1.9
369.16983	7.1
370.17163	0.9
371.15048	13.3
372.15356	1.6
387.17883	0.8
404.90952	0.8
413.16315	1.1
431.17068	100.0
432.17355	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70105	0.6
51.17682	0.7
55.05545	0.7
59.01255	17.9
60.09068	0.7
71.01258	1.7
84.62484	0.6
85.02826	1.6
87.00723	1.1
89.02318	1.6
93.03355	1.5
96.95904	1.5
98.19743	1.0
101.02335	1.0
108.02074	1.7
109.02873	1.8
113.02374	1.2
119.04931	1.3
119.16485	0.7
121.02811	1.7
121.06498	2.4
122.03658	2.0
123.04425	1.5
130.04243	0.8
131.04887	1.5
133.02823	0.9
134.03630	44.3
135.03978	1.8
137.02341	7.3
139.03923	2.3
147.04430	13.9
148.05219	9.0
149.05988	100.0
150.06311	4.4
161.04401	0.8
163.03989	1.1
175.03935	2.5
178.02655	2.6
189.05629	0.8
192.04228	4.5
193.04993	98.6
194.05315	5.3
207.06709	0.9
219.02913	3.8
224.03264	0.7
236.03242	1.7
237.04028	1.4
249.06093	0.7
269.04492	1.7
299.12781	0.7
309.13535	0.9
352.68823	0.7
387.10834	10.0
388.11331	1.1
413.08923	1.9
431.09702	11.7
431.15140	0.7
432.09930	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53142	0.6
57.03051	1.0
57.03328	16.0
58.00471	1.0
59.01253	28.6
61.98690	0.8
62.51774	0.9
69.03302	0.9
70.70123	0.7
71.01254	21.5
72.99186	2.5
73.02814	3.0
75.00748	13.8
83.01254	1.1
85.02834	4.3
87.00754	4.3
89.02321	22.4
90.16991	0.8
93.03323	1.2
95.01254	1.3
97.02833	4.7
99.00753	1.7
99.04401	9.4
101.02328	14.2
107.47545	0.7
111.00774	1.0
111.14497	0.7
113.02330	7.6
114.91251	0.7
119.03371	8.6
121.02847	100.0
122.03194	5.1
123.04389	0.8
125.02341	20.4
129.01842	3.8
131.03375	1.5
134.03670	1.5
137.02388	1.2
137.06027	0.9
143.03416	2.4
147.02878	1.8
147.04430	0.8
149.05981	2.8
161.04472	3.2
165.05400	0.8
175.03949	1.0
179.03432	1.2
179.05530	6.4
189.03989	2.3
191.05553	1.4
193.05035	1.0
194.05794	1.4
209.08087	0.9
263.05768	0.8
285.05118	2.0
309.08270	47.2
310.08481	3.8
391.51163	0.9
431.11905	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	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03325	40.0
58.37660	1.0
59.00957	1.9
59.01250	35.6
64.80948	1.0
69.03313	1.4
69.65175	1.5
69.65465	6.5
71.01254	22.8
72.99168	2.8
73.02823	1.6
75.00739	11.8
83.01267	1.5
85.02805	4.7
87.00750	4.7
89.02312	23.8
95.01262	2.8
97.02837	10.7
99.00735	3.1
99.04399	28.7
101.01702	1.8
101.02319	20.1
105.01978	0.9
109.02888	1.1
113.02349	7.0
119.03389	10.4
119.04916	1.4
121.02840	100.0
122.03130	3.1
125.02333	56.9
126.02654	2.0
129.01866	1.8
131.03334	1.1
137.05992	3.6
138.01894	1.6
138.95920	1.3
143.03362	2.5
147.02879	2.2
149.05991	1.8
161.04471	4.8
179.05501	8.1
189.03929	1.6
191.05605	1.7
193.04953	2.5
211.77388	1.0
271.18365	1.1
277.11340	1.2
309.08249	52.0
310.08640	4.3
431.11154	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01251	100.0
60.01589	1.1
67.58244	0.6
70.76055	0.7
70.76372	1.2
73.02826	1.0
73.51659	0.5
75.52481	0.5
75.98019	0.6
79.88123	0.6
84.35176	0.6
86.88519	0.6
87.00730	1.1
89.02335	0.7
91.03905	0.7
91.73515	0.6
101.02327	2.2
105.03918	0.7
108.41611	0.6
134.65823	0.6
146.03629	0.8
171.04401	0.8
171.08099	1.0
172.05252	1.6
173.06033	0.9
185.06091	1.0
186.06836	1.0
187.07608	1.3
196.05281	1.6
199.04080	1.3
199.07680	2.3
200.04681	1.0
200.08398	1.2
201.09128	4.8
202.09547	0.8
210.06863	1.1
214.06276	1.4
215.07120	2.8
215.10800	1.2
225.09196	2.7
226.09929	1.0
229.08659	2.0
243.10229	6.2
244.10892	1.4
245.08229	1.4
277.21768	1.6
295.22791	7.0
296.23035	0.9
323.16760	1.2
373.67227	0.7
385.16766	1.1
429.15985	3.0
429.30319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.83788	0.5
55.01780	0.5
57.03314	0.6
59.01251	41.7
60.01577	1.0
61.98690	1.6
69.67689	1.0
69.68089	3.0
71.01256	6.7
71.04895	0.6
72.99196	0.7
73.02806	2.0
75.00732	0.6
83.01260	1.1
85.02830	3.2
85.22065	0.6
87.00742	2.7
89.02309	3.2
89.03838	0.9
91.01756	3.9
91.05412	0.5
93.03329	1.6
95.01250	0.6
96.95875	5.5
97.06403	0.6
98.20686	0.5
99.00751	0.7
99.04420	1.1
101.02313	4.2
108.02045	1.6
109.02835	2.0
113.02335	2.8
117.03342	1.5
119.03390	1.5
119.04903	3.2
119.08616	0.5
121.02857	1.6
121.06467	1.2
123.04404	1.7
125.02318	0.8
126.21999	0.6
128.03445	0.7
129.03328	1.4
130.04123	0.6
131.04906	1.6
133.02870	5.6
134.03635	30.9
135.00780	4.6
135.04347	0.8
137.02356	4.5
139.03926	1.0
145.02843	3.6
146.03545	1.3
147.04424	28.2
148.05200	5.2
149.05988	63.9
150.06319	3.7
153.01892	3.0
157.06487	0.9
159.04413	1.0
161.02391	1.4
161.04456	1.2
163.03894	2.3
165.03949	0.6
173.02345	0.6
173.04517	0.7
174.03200	1.4
175.03928	25.1
176.04286	0.9
178.02654	2.2
179.05489	0.6
180.05730	1.8
181.06537	3.0
183.04478	2.7
191.03484	0.6
191.05365	0.6
192.04054	0.9
193.04994	42.4
194.05275	2.8
195.04413	2.5
196.05226	0.9
197.06068	2.9
199.03911	1.7
201.05486	1.9
207.04402	1.2
209.11758	1.0
213.05676	0.6
219.02936	39.3
220.03331	2.4
223.04016	1.4
224.04657	1.3
225.05533	10.4
226.05855	0.6
227.03458	2.6
228.06380	0.8
239.03146	0.7
240.04321	0.9
241.05019	2.2
249.06061	0.6
251.03502	2.6
253.05180	0.6
257.08139	1.2
267.02988	1.4
268.03751	0.7
269.04544	100.0
270.04877	9.3
281.04416	0.9
283.06155	7.1
283.15393	0.9
293.04602	0.8
295.06027	0.8
311.05615	11.3
312.05914	0.9
323.05658	0.9
341.06552	3.0
371.20679	0.8
387.10837	2.3
389.21762	1.7
413.08716	16.6
414.09076	2.0
431.09802	31.9
431.19122	1.2
432.10101	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54380	0.3
56.86385	0.3
59.01256	100.0
60.01600	1.0
61.98696	0.4
67.13376	0.3
67.13748	0.3
69.19997	3.6
71.01265	1.0
72.94807	0.3
73.02825	0.5
87.00756	0.5
89.02321	0.5
93.03360	0.3
96.19103	0.3
101.02343	0.6
113.02319	0.6
121.02876	2.7
123.08015	0.5
147.04506	0.5
148.70853	0.4
149.06049	0.5
152.01129	0.4
161.04495	0.5
163.11203	0.3
175.11285	0.4
189.12918	0.5
207.13817	0.6
211.45068	0.4
225.14861	0.5
238.72105	0.3
294.38635	0.3
355.72815	0.3
429.21661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
58.00451	0.7
59.01252	100.0
59.25495	0.9
60.01587	1.6
69.03321	1.9
69.37122	6.1
71.00848	1.4
71.01254	26.4
72.99164	2.4
73.02818	25.2
75.00738	1.3
83.01260	6.0
85.02827	5.6
87.00753	5.0
89.02313	9.5
93.03343	2.1
95.01263	1.0
96.95944	1.4
97.06470	2.1
99.00756	1.3
101.02327	21.3
105.03368	1.2
107.04945	1.6
108.02049	18.2
109.02845	3.4
111.00769	1.0
112.85540	0.8
113.02333	9.4
119.03391	3.1
119.04932	1.3
121.02845	2.9
129.01816	1.2
131.03371	1.7
134.03621	3.4
135.04434	2.7
136.70198	0.9
137.02347	1.6
143.03375	1.5
143.23022	0.9
147.04424	6.0
149.04694	1.2
149.05995	4.8
152.01057	27.0
153.01486	1.4
153.09148	3.0
155.03416	1.7
161.04503	4.5
161.09657	1.5
163.03966	1.2
173.04419	1.0
177.01913	1.1
179.05460	1.1
187.11215	2.1
189.09232	1.2
191.03366	2.2
192.04198	1.0
198.33318	0.8
205.12328	1.9
223.13350	10.8
225.14978	0.9
229.12302	1.4
249.11185	1.0
255.16089	3.6
267.12344	7.5
268.12704	0.9
303.07315	0.9
313.05603	1.0
369.19095	1.5
385.09183	1.0
387.20325	1.0
406.59073	1.0
429.10129	10.2
429.15021	0.9
430.10672	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39544	0.5
54.70180	0.4
56.00029	0.5
56.83654	0.5
57.03323	1.3
59.01252	100.0
60.01567	1.1
60.45134	0.5
70.77077	0.8
71.01261	0.7
73.02823	1.4
87.00755	1.6
87.38594	0.4
89.02290	0.7
91.03905	1.6
97.06530	0.7
101.02338	2.9
104.37663	0.4
111.98938	0.5
123.27396	0.4
146.03662	0.5
171.04469	0.7
172.05232	1.1
173.06029	0.7
178.06363	0.5
185.05988	1.1
186.06802	0.8
187.07608	1.6
195.13927	0.8
196.05278	1.1
197.05917	0.8
199.03940	0.6
199.07642	1.8
199.32422	0.5
200.08347	1.1
201.09174	2.8
202.06250	0.9
210.06865	0.8
214.06384	1.7
215.07104	2.0
215.10699	0.7
216.11473	0.6
224.08536	0.6
225.09157	2.9
226.09853	1.3
228.07829	0.9
229.08734	1.6
235.52242	0.6
243.10255	5.6
244.10922	1.1
245.08215	2.1
247.57893	0.6
277.21970	0.6
288.10049	0.5
295.22748	11.7
296.23169	1.5
323.16608	0.5
385.16757	1.1
429.15634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01019	1.5
55.01756	5.7
57.03318	6.1
59.01254	12.1
61.58353	1.5
65.03821	1.9
65.24616	1.6
71.01254	6.6
71.53455	2.7
72.99191	2.3
73.02828	2.8
75.00758	4.9
83.04905	5.1
85.02829	5.0
87.00758	10.1
89.02312	3.6
93.03360	1.8
96.37762	1.7
96.97984	1.8
99.00777	2.5
101.02293	2.5
104.88185	2.1
108.02081	5.6
111.04373	3.4
111.08060	2.7
113.02355	6.7
115.11786	1.7
121.06474	3.2
123.08064	18.7
129.01851	4.8
135.04440	3.1
136.01637	1.9
137.09428	1.8
139.07559	3.5
145.10123	3.3
147.02907	11.2
152.01060	6.5
153.09065	2.4
159.04453	2.5
161.02292	2.7
169.10098	1.8
171.11737	19.7
172.12001	2.6
179.03452	2.1
189.12790	7.1
191.05571	4.3
192.06036	2.0
201.12762	7.8
207.13817	4.0
219.13672	2.0
228.19170	1.7
237.14932	26.6
238.15146	2.1
248.86633	2.3
262.96832	1.8
267.07050	13.0
281.13947	100.0
282.14221	7.9
297.11404	2.4
323.09140	2.2
429.10333	7.9
429.17636	48.9
430.18030	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62519	0.4
55.01752	0.5
57.03325	1.3
58.00475	0.7
59.01252	100.0
60.01583	1.3
66.54216	0.5
68.99695	0.5
69.03337	1.2
71.01254	19.6
71.52881	0.5
72.01603	0.6
72.99185	3.0
73.02821	16.2
74.03188	0.5
75.00753	2.8
81.45293	0.4
83.01265	5.0
85.02834	5.2
85.12772	0.5
87.00770	3.2
89.02325	5.9
93.03350	3.7
95.01265	1.3
96.95907	1.2
99.00782	3.0
99.03773	0.5
99.04440	0.5
101.02325	15.1
102.02617	0.6
107.04918	1.3
108.02071	1.3
109.02887	0.8
111.00767	4.1
113.02335	9.4
115.00269	1.3
117.01866	0.5
119.03426	1.5
121.02847	1.8
125.02354	0.8
131.03430	1.3
134.03680	1.2
135.04428	1.3
137.02383	0.6
137.09630	0.8
139.00302	1.3
143.03397	1.2
145.02876	0.6
147.04475	1.6
149.04523	0.8
149.05962	1.2
152.01065	1.5
157.01382	0.5
160.01640	1.0
161.04463	2.9
163.03970	0.8
171.02878	0.6
175.04044	0.9
179.03479	4.1
179.05090	0.6
179.05476	0.5
191.05624	0.7
193.04884	1.0
231.05106	0.7
237.15013	0.5
249.06125	11.2
250.06467	0.7
267.07083	0.6
291.10995	0.5
307.05933	0.5
313.11823	0.5
385.09741	0.9
397.01013	0.5
429.09637	2.4
429.17667	1.5
430.11166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76873	1.8
57.03323	6.3
59.01252	100.0
60.52008	1.8
69.66534	3.9
69.66946	8.1
71.01259	22.9
73.02802	4.3
83.01248	3.0
83.04881	2.0
85.02824	5.7
85.99235	1.7
87.00759	6.2
89.02324	15.7
93.03316	3.4
95.01292	3.1
97.06470	10.8
101.02316	13.6
107.04925	17.1
109.02841	2.6
113.02332	8.0
119.03397	5.9
120.05683	2.9
125.05963	2.2
126.20039	2.4
135.04446	4.0
141.05476	2.1
153.01833	5.2
159.11772	2.5
161.04500	2.6
161.09645	11.0
161.13303	5.5
173.05957	2.3
187.11226	16.0
189.09145	6.7
193.08630	3.1
197.05943	2.6
201.09123	2.2
203.10698	2.5
205.12273	7.0
207.10184	5.2
211.07568	2.5
215.10709	3.2
223.13345	84.9
224.13739	4.8
225.09081	4.0
226.09668	2.7
229.08633	3.1
229.12325	4.7
239.07072	2.3
241.12350	3.9
243.10228	7.2
249.11307	8.3
251.10596	3.7
265.12280	2.7
267.12363	94.7
268.12610	6.1
269.11768	5.4
269.15619	2.7
285.14926	2.9
297.15033	8.9
299.01978	2.6
300.13684	5.4
309.13403	4.2
311.12817	2.8
312.13632	3.9
323.16418	8.9
341.17572	10.6
356.12811	2.3
367.15427	2.6
385.16589	26.2
386.16873	4.6
411.10983	4.2
429.17294	16.5
430.17474	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	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89718	1.7
57.03324	22.4
59.01246	1.4
62.76426	1.4
64.51669	1.9
69.03331	7.6
69.50996	11.6
73.02818	11.9
73.70927	1.4
76.80841	1.6
96.32749	1.4
97.06465	6.1
101.02325	29.9
113.02322	4.4
143.04938	3.0
146.03671	2.6
149.05873	1.5
156.05682	4.8
158.03632	1.9
159.04420	9.4
159.08104	1.7
171.04439	8.5
171.08093	7.8
172.05241	22.4
173.02325	2.9
173.06000	9.0
174.03117	5.8
174.06757	2.4
175.07515	5.7
185.06001	14.7
186.06757	15.8
187.03987	3.1
187.07584	27.5
188.08195	2.0
191.03410	9.1
196.05194	13.7
197.06032	9.8
197.09561	2.4
198.06812	2.4
199.03897	6.1
199.07593	25.9
199.92369	1.6
200.04747	6.9
200.08363	14.7
201.05524	4.1
201.09154	65.1
202.06299	16.2
202.09406	3.5
203.06993	6.1
209.06036	1.9
210.06801	11.2
211.07536	3.5
212.04646	2.1
213.05470	4.0
214.06311	30.4
215.07086	39.8
215.10626	15.7
216.07440	3.1
216.11417	5.8
218.05812	1.9
223.07587	6.7
224.08368	5.9
225.09166	52.0
226.09842	16.7
227.10524	4.3
228.07780	9.2
229.08664	29.7
231.06592	6.2
232.07220	1.6
233.07906	2.1
241.08710	1.7
243.10240	100.0
244.07307	4.1
244.10866	27.5
245.05824	2.6
245.08174	39.5
246.08511	2.7
254.24721	1.6
257.98087	1.6
259.09729	2.2
287.09198	5.6
288.10013	10.9
297.14935	3.6
323.16556	12.7
341.13898	1.8
341.17578	2.0
385.16547	15.1
411.10876	1.7
412.22162	2.0
429.06537	1.6
429.15604	39.2
430.15912	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03332	3.9
58.00462	1.3
59.01251	100.0
60.01570	1.0
69.03325	1.4
71.01255	19.3
71.54351	1.3
72.99165	2.2
73.02818	4.7
75.00740	1.4
80.02565	0.8
83.01237	2.7
85.02829	6.2
87.00750	11.1
89.02322	15.4
93.03331	1.8
95.01263	2.2
96.95858	0.9
97.02796	0.8
97.06470	5.5
101.02317	12.9
107.04898	8.5
108.02054	5.2
109.02834	1.5
113.02325	10.2
115.04971	1.6
119.03399	5.9
119.04796	1.0
120.05679	1.7
121.02834	1.1
123.04430	1.1
125.02346	0.9
130.08621	1.5
130.99710	0.8
131.03432	0.8
134.03622	1.2
135.04433	5.2
137.02332	2.0
141.05482	1.3
143.03377	1.6
147.04433	1.8
149.05959	7.0
151.03929	1.1
152.01051	8.0
153.09027	0.9
159.04480	0.9
159.07939	0.8
159.11720	1.1
161.04507	2.9
161.09605	7.9
161.13274	2.3
163.11218	2.5
164.04674	0.9
165.09198	1.0
173.04420	1.4
173.05890	0.8
175.03967	1.9
177.01888	1.0
179.03362	1.1
179.05614	3.9
185.05904	0.7
185.13272	0.8
187.11214	12.2
189.09102	3.5
190.02745	0.9
191.03423	1.3
192.04233	0.9
193.04997	1.8
193.08646	1.9
194.05563	1.8
199.07692	1.0
203.10696	2.3
205.12288	4.8
207.06654	0.8
207.10187	2.7
213.05722	0.9
223.13345	53.7
224.13626	4.3
225.09171	1.9
229.08391	1.0
229.12311	3.8
231.10205	0.9
232.74373	0.8
249.11351	6.5
267.12375	47.1
268.12622	3.2
281.13904	0.9
283.13348	1.2
285.11365	1.2
285.14850	1.3
291.12366	1.9
294.12616	1.2
297.11584	0.9
297.14914	2.1
300.13644	0.9
309.13303	1.6
313.14478	1.0
315.08588	2.7
315.88324	0.8
323.16519	1.0
327.08777	0.9
341.17657	3.4
355.08060	1.2
367.07996	1.0
369.15466	1.3
369.19543	1.2
385.12796	2.7
385.17117	5.0
386.16916	1.4
387.20319	2.9
401.16083	1.1
429.09955	2.0
429.15714	6.4
429.23026	1.5
430.18460	1.1
447.11227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60635	1.5
54.23003	1.4
57.03328	15.8
57.91368	1.5
58.26718	1.6
69.03323	7.2
69.90634	1.5
70.29567	2.2
70.29947	3.0
72.05701	1.5
73.02821	7.9
75.88963	1.5
79.23697	1.7
80.28011	1.5
83.63216	1.5
97.06453	4.7
97.28101	1.6
98.36450	1.7
101.02335	17.1
113.02284	4.1
142.37988	1.5
143.04892	3.4
145.02856	1.9
146.03624	4.5
147.04410	4.7
156.05710	3.8
158.03680	1.9
159.04440	13.9
171.04437	9.8
171.08064	8.4
172.05222	33.1
173.02364	4.5
173.06015	12.6
173.09563	2.2
174.03125	4.8
174.06757	5.0
175.07558	8.6
184.05128	2.4
185.06010	20.5
186.06789	16.7
187.03975	4.4
187.07556	34.3
188.08012	3.9
189.05254	2.0
191.03392	7.6
195.04424	3.2
196.05251	16.4
197.05980	12.4
197.09581	2.9
199.03975	6.5
199.07584	33.0
199.11261	2.4
200.04784	10.2
200.08336	17.0
201.05635	8.3
201.09146	91.9
202.06346	16.9
202.09442	8.1
203.07089	8.5
210.06918	7.7
211.07523	6.0
212.07738	1.6
213.05498	5.2
213.09068	2.2
214.06314	25.8
214.09709	2.4
215.07114	37.8
215.10675	19.5
216.07494	4.5
216.11401	6.3
218.05750	2.6
223.07611	3.4
224.08305	5.2
225.09164	35.5
226.09935	12.6
227.10728	5.0
228.07964	9.2
229.08682	37.2
230.08908	2.3
231.06555	5.6
232.07292	3.2
243.10251	100.0
244.07303	4.9
244.10912	23.2
245.08183	44.2
246.08597	3.4
251.14351	2.5
259.09680	2.0
287.09210	3.8
288.10104	8.3
323.16345	5.0
332.08780	1.9
385.16537	7.2
429.15668	28.8
430.15866	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	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45186	1.4
54.70946	1.3
57.03332	9.2
68.43577	1.5
69.03335	8.0
69.21091	13.7
73.02814	5.8
78.86521	1.2
84.50115	1.4
89.93736	1.3
97.06449	3.4
101.02325	12.4
113.02310	4.1
135.04375	1.6
143.04941	4.3
146.03654	5.2
147.04393	4.6
156.05685	3.3
158.03638	1.6
159.04425	21.1
159.08087	1.3
169.06468	1.9
170.07281	1.8
171.04477	7.7
171.08093	7.9
172.05211	46.3
173.02278	3.7
173.06006	13.9
173.09673	3.2
174.03136	7.0
174.06717	3.7
175.07545	7.6
183.08011	2.0
185.06032	21.8
186.06786	20.6
187.03961	3.4
187.07578	41.3
188.08086	2.5
191.03465	9.4
195.04465	1.6
196.05263	7.1
197.05994	14.3
199.03946	8.2
199.07600	20.8
199.11122	1.7
200.04732	13.2
200.08354	11.1
201.05560	8.8
201.09146	100.0
202.06306	15.2
202.09418	7.3
203.07054	6.0
209.05969	2.0
210.06831	4.9
211.07516	4.1
212.04707	1.5
213.05453	4.5
214.06281	25.0
214.09828	1.7
215.07088	45.2
215.10565	17.3
216.07425	4.0
216.11369	8.2
218.05809	1.9
223.07672	4.5
224.08298	2.3
225.09163	26.7
226.09926	16.0
227.10693	3.6
228.07887	6.3
229.05138	1.9
229.08646	41.0
230.09016	1.6
231.06619	11.3
232.07304	3.5
242.09470	2.2
243.10236	84.0
244.07304	5.1
244.10982	23.5
245.08144	56.2
245.10796	2.4
246.08449	3.8
259.09735	1.7
270.01913	1.6
287.09149	4.7
288.10037	9.3
323.16495	4.3
385.16507	5.3
429.15698	26.6
430.15482	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	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
69.03330	5.5
69.47453	11.3
82.94629	1.4
83.50868	1.5
97.06425	1.7
97.08237	1.5
101.02306	4.3
104.43758	1.8
113.02310	2.1
135.04424	1.6
146.03613	3.8
147.04414	4.0
159.04433	19.6
170.03673	1.8
171.04500	7.4
171.05734	1.7
171.08081	2.5
172.05208	42.9
173.02423	1.6
173.06013	14.7
173.09515	1.6
174.03107	4.2
174.06714	4.5
175.03958	1.8
175.07594	8.0
185.06003	15.4
186.06735	16.0
187.03880	2.0
187.07561	34.9
188.08180	6.4
191.03406	6.2
194.10538	1.5
196.05107	3.4
197.06017	16.4
199.03975	2.1
199.07573	8.8
200.04778	13.1
200.06430	1.9
200.08354	11.0
201.05428	5.6
201.09152	100.0
202.06224	4.7
202.09508	9.0
203.03496	2.1
203.07086	6.4
204.04259	2.0
210.06621	1.6
211.07555	6.6
213.05498	4.8
214.06262	9.6
215.07106	44.2
215.10608	16.0
216.04247	2.0
216.07425	3.1
216.11528	9.9
218.05867	8.2
219.06563	2.2
225.09192	13.9
226.09962	22.2
227.10587	4.4
229.05174	2.4
229.08673	52.2
230.09026	6.0
231.06595	15.8
232.07265	6.1
243.10255	51.5
243.12759	1.1
244.07338	5.4
244.10966	21.7
245.08165	84.1
246.08592	8.4
259.06039	1.9
259.09763	3.5
270.08960	3.1
285.07690	1.5
288.09946	10.2
289.10480	2.1
332.09039	6.3
363.22937	1.7
385.16470	1.6
429.15155	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	429.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	36.9
69.03331	6.5
71.29639	3.1
73.02814	17.0
73.70982	2.0
87.00759	1.8
97.06469	7.6
100.51330	1.8
101.02328	43.9
113.02326	5.0
143.04936	5.0
146.03661	4.4
156.05679	5.6
157.06465	3.1
158.03642	3.1
159.04431	11.8
171.04430	11.3
171.08141	9.7
172.05203	19.3
173.02477	2.5
173.06030	11.4
174.03146	3.0
174.06734	5.3
175.07483	4.6
185.05986	12.2
186.06776	18.4
187.03981	3.1
187.07542	23.5
188.08020	2.1
191.03447	6.6
195.04417	2.8
196.05222	18.6
197.05948	11.3
198.06647	2.4
199.03931	12.8
199.07562	27.8
200.04701	7.3
200.08330	13.7
201.05420	3.2
201.09145	38.3
202.06285	15.1
202.09416	2.0
203.06993	3.0
210.06796	13.8
211.07571	4.4
213.05481	2.5
213.09096	3.3
214.06325	38.2
214.09869	2.1
215.07083	29.6
215.10596	16.5
216.11290	3.4
218.02156	3.0
223.07520	6.1
224.08301	4.1
225.09175	61.1
226.09814	11.6
227.10666	3.2
228.07883	13.3
229.08681	23.8
231.06622	2.0
243.10237	100.0
244.10956	24.1
245.08241	12.1
259.09830	2.2
287.09253	7.5
288.10071	9.9
297.15070	6.0
323.16562	15.0
324.16840	3.1
341.13837	3.2
385.16623	20.9
429.15692	43.7
430.15833	6.1
432.14429	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	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99035	1.7
57.03323	5.0
57.63136	1.5
59.01253	23.0
62.05825	1.8
69.03338	4.1
69.43399	14.8
71.01252	46.6
73.02765	1.9
81.63040	1.8
85.02840	2.3
87.00739	2.2
89.02320	3.8
93.03375	1.9
97.06474	9.2
101.02345	10.4
105.91045	1.9
107.04975	2.5
113.02314	4.1
123.20058	2.1
125.05989	2.5
131.81285	1.8
149.84750	1.9
160.05252	4.5
161.09610	1.9
172.05215	4.3
173.05939	2.0
183.04398	1.7
186.06731	4.8
187.07471	4.6
196.05229	7.7
197.05980	12.7
198.06671	2.5
199.07574	6.3
200.04755	4.0
200.08383	3.1
201.09151	7.6
202.06198	2.7
203.06993	1.8
209.06065	4.0
210.06761	5.3
211.03954	3.0
211.07498	11.0
212.04637	2.9
212.08266	6.4
213.05492	3.3
213.09074	7.0
214.06323	3.7
214.09879	2.3
215.07121	4.8
215.10728	24.4
221.06169	2.0
222.06799	3.8
223.07574	6.9
223.13376	3.0
224.04988	2.6
225.05608	5.9
225.09100	10.6
226.06277	4.1
226.09848	3.2
227.07187	3.7
227.10738	3.1
227.20485	1.8
228.07915	3.2
228.11485	7.6
229.08636	5.3
229.12080	5.8
236.08324	2.4
237.05554	2.3
237.09132	4.2
238.09908	5.1
239.06992	5.2
239.10680	7.0
240.07712	5.7
240.11456	5.8
241.08658	6.5
241.12325	11.2
242.09390	2.1
243.10240	19.2
243.13863	2.7
244.10933	4.3
250.09894	6.7
251.07069	2.8
251.08377	2.1
251.10759	18.5
253.08636	5.7
253.12294	4.0
254.09373	3.4
255.10272	9.6
255.13817	5.6
256.11066	5.7
257.08069	2.3
257.11917	4.0
265.08707	5.4
265.12198	10.2
266.13040	5.2
267.10141	4.1
267.13937	3.5
268.10986	6.7
269.08792	2.8
269.11829	37.5
269.15479	11.8
270.08701	2.3
270.12354	4.2
270.15921	2.7
271.09998	2.7
271.13297	3.2
272.14160	6.3
279.10172	6.5
279.13605	2.8
280.10962	2.8
283.10077	4.1
283.13422	13.8
284.10760	2.1
284.14102	7.7
285.11502	3.2
285.14899	5.0
287.09137	4.0
293.11777	5.4
294.12531	8.7
295.13864	2.1
295.16843	9.0
297.11566	2.9
297.14969	15.6
298.15201	3.5
300.13666	10.7
311.12994	7.6
312.13657	11.3
312.17026	3.1
313.10718	6.9
313.14386	8.4
313.18082	7.5
323.16522	27.4
324.16718	4.5
341.17596	40.1
342.17850	4.4
353.06522	4.6
356.12442	2.9
357.17133	10.7
367.15469	11.0
385.16574	100.0
386.16818	13.2
411.10803	2.6
429.06668	2.1
429.10770	3.8
429.16211	21.9
430.15991	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33968	1.2
57.03313	4.0
62.81653	1.1
64.44485	1.1
65.24347	1.3
69.03328	3.0
69.20769	1.8
69.21166	11.3
101.02325	5.3
113.02342	3.3
137.02327	1.7
144.88388	1.2
146.03627	4.7
147.04399	3.5
159.04434	19.9
169.06532	1.5
171.04446	7.5
171.08008	3.5
172.05222	36.2
173.06018	13.8
174.03110	3.4
174.06743	3.1
175.03864	1.5
175.07579	5.1
177.05508	1.4
178.37276	1.2
183.04419	1.4
185.06001	14.7
186.06773	17.2
187.03984	2.5
187.07564	35.3
188.08249	5.5
189.05522	3.0
191.03461	8.3
196.05289	3.5
197.06012	13.5
197.09697	1.8
198.06689	2.8
199.03935	1.6
199.07574	9.9
200.04767	11.8
200.08363	12.4
201.05428	5.0
201.09142	100.0
202.06281	7.1
202.09433	7.8
203.03482	1.8
203.07092	4.2
211.07622	6.1
213.05540	3.0
214.06250	8.7
214.09891	1.6
215.07092	49.7
215.10628	17.6
216.04263	3.2
216.07515	5.1
216.11481	13.5
218.05798	6.4
219.06543	3.5
223.07475	1.4
225.09151	12.9
226.09950	27.2
227.10634	6.1
228.07800	1.9
229.05019	2.5
229.08656	56.9
230.09081	4.8
231.06540	17.3
232.07300	5.6
233.08122	3.7
239.11052	1.4
243.10228	62.4
244.07436	5.7
244.10939	29.5
245.08157	95.9
246.08577	9.0
258.09042	1.3
259.06036	3.4
259.09695	4.7
270.08936	4.6
285.07602	2.4
287.09146	4.1
288.09982	13.0
289.10342	2.1
323.16489	1.6
332.09070	10.8
385.16409	2.0
411.10825	1.3
429.15860	14.8
430.15778	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	429.1554
Annotation	Tenellic acid C
Peak:m/z	Relative Intensity
51.94397	1.9
57.03051	2.6
57.03327	39.0
69.03320	9.7
69.15092	1.9
71.01266	11.1
73.02827	21.5
74.68785	2.1
94.87550	1.9
97.06466	7.8
99.00758	2.8
99.68420	1.8
101.02325	48.6
101.02998	2.5
111.87058	1.9
113.02353	4.0
143.04968	2.3
145.02827	2.6
145.06564	2.5
146.03622	4.1
156.05702	6.1
158.03587	3.2
159.04410	10.4
160.05078	2.7
167.04799	2.1
168.05676	2.6
171.04463	11.5
171.08052	8.4
172.05205	19.3
173.02390	3.7
173.05962	13.7
174.03134	3.4
174.06618	4.8
175.07536	5.1
185.06041	12.4
186.06741	21.1
187.03992	3.3
187.07603	27.3
191.03461	4.7
195.04405	5.3
196.05237	26.1
197.06032	11.8
199.03973	15.7
199.07585	39.2
200.04646	10.5
200.08350	18.9
201.05406	4.6
201.09148	38.1
202.06271	19.5
203.07056	5.9
209.09750	2.6
210.06813	17.6
211.07469	5.2
213.05522	4.0
213.09158	3.3
214.06293	43.3
214.09795	3.3
215.07079	32.1
215.10681	19.6
216.07474	2.5
218.02136	4.5
223.07594	8.5
224.08371	6.5
225.05699	3.4
225.09167	68.5
226.09790	17.6
227.07114	2.4
227.10658	5.0
228.07910	15.8
229.08678	27.5
229.12218	3.0
230.08943	2.5
240.11313	2.6
243.10243	100.0
244.10924	24.9
245.08142	13.9
245.11317	2.7
269.11777	3.7
272.10739	2.6
283.13040	2.3
287.09286	4.4
288.10037	8.2
297.15024	4.1
301.14722	2.7
323.16541	22.6
341.13733	3.3
341.17523	6.9
357.16919	6.3
367.15710	4.1
385.16574	26.6
411.10608	2.6
429.15781	42.1
430.15598	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	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	5.8
59.01251	39.6
68.99671	3.2
69.03334	3.5
69.38939	16.3
71.01254	42.8
72.99173	7.6
73.02805	6.2
75.00745	19.8
83.01257	4.4
85.02828	29.6
85.31017	2.1
87.00761	17.0
89.02311	14.2
89.07795	1.8
93.03310	4.2
95.01273	7.2
99.00758	13.7
101.02319	8.4
103.00255	5.0
107.04900	6.4
108.02045	7.6
109.02843	12.9
111.00748	4.0
112.21630	2.1
113.02334	47.5
115.00230	2.5
117.01845	4.8
117.03333	2.6
119.04886	2.4
121.02876	3.6
123.00754	2.0
126.67274	2.2
129.01852	3.5
133.02834	7.5
134.03601	7.5
135.04413	23.8
137.02322	2.8
138.16168	2.1
145.02809	7.5
147.04408	5.9
149.04341	2.1
149.05978	4.5
152.00992	6.3
159.03125	2.0
159.04424	11.2
161.02362	29.2
161.04422	2.5
161.05998	5.9
162.02678	2.9
163.03893	5.9
165.04051	2.8
165.05461	2.5
173.05960	3.2
175.02373	2.2
179.03419	21.9
180.03918	1.9
244.27281	2.0
249.06111	42.2
267.07208	100.0
268.07538	6.5
282.08945	4.6
297.11288	8.3
341.10468	4.4
410.06586	2.2
429.10272	61.7
429.17587	9.1
430.10522	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	8.9
57.03323	10.8
59.01252	13.5
61.98693	1.4
69.03313	1.2
69.48097	1.1
71.01253	11.5
71.53878	1.1
72.99171	1.7
73.02829	2.7
75.00739	4.1
81.03300	1.0
81.39031	1.0
83.01263	2.5
83.04903	1.6
85.02833	6.8
87.00736	5.5
89.02310	6.5
93.03344	2.5
95.04894	2.9
97.02831	7.9
97.06467	2.8
99.00763	3.0
99.04366	1.4
101.02320	6.4
107.04906	1.4
109.02830	4.2
109.06474	5.3
111.00752	1.5
111.04391	4.7
113.02340	2.4
119.03406	1.5
119.04957	2.2
119.08565	1.6
121.06499	5.8
122.03609	9.2
123.04401	3.2
124.05184	17.1
125.06022	5.4
129.01741	2.0
132.02098	1.4
133.02853	2.2
134.03641	19.9
135.04431	1.6
137.05972	14.0
139.07549	100.0
140.07887	4.1
146.06013	1.9
147.02898	11.1
147.04018	2.0
147.08025	3.6
148.05048	1.2
149.02377	1.5
149.05928	3.7
160.01576	7.3
160.18832	1.1
163.03906	1.9
163.07559	2.1
163.11214	1.3
168.07840	22.9
169.08508	4.1
171.08047	2.2
173.28691	1.2
175.03943	7.9
175.11201	2.8
177.12646	1.5
183.94263	1.2
187.11172	17.0
188.11557	1.9
189.09256	1.6
190.02556	1.9
190.09930	2.7
191.05515	4.2
192.57140	1.1
193.04980	16.1
194.05249	1.7
205.12274	29.5
206.12593	2.3
223.06194	1.7
231.10320	1.4
235.06044	3.1
235.13347	4.1
241.07394	2.9
249.11296	2.6
251.36705	1.5
265.07120	2.6
279.12360	38.4
280.12640	3.7
339.08066	1.3
409.14087	2.3
427.16028	33.3
428.16223	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	429.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.2
69.88452	0.9
69.88833	2.2
71.01266	2.8
73.02820	5.7
74.02286	0.4
75.00750	0.8
83.22459	0.4
86.10564	0.5
87.00750	100.0
88.00267	1.1
88.01086	1.8
89.02317	4.3
93.15121	0.5
99.00755	1.9
101.02326	1.7
102.97672	0.5
103.00252	1.2
108.02032	1.5
113.02304	1.5
117.01821	10.8
119.03335	0.8
131.03439	0.4
149.04465	1.4
152.01033	1.9
159.04419	0.8
161.02373	0.5
179.05557	1.1
192.22932	0.5
253.74773	0.5
267.07285	1.0
281.13937	1.2
297.11575	0.6
327.76529	0.5
341.10828	4.1
386.31332	0.4
429.09781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01555	1.5
71.01293	0.7
71.33100	1.3
80.79824	0.7
91.03875	2.9
149.74272	0.7
261.61893	0.8
275.20187	2.0
293.21249	11.1
294.21582	1.0
311.22235	1.2
358.06903	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01595	1.4
61.98700	0.5
71.01263	0.9
71.53886	0.5
72.52853	0.4
91.03905	1.7
106.23691	0.4
171.10223	0.9
195.13895	0.6
275.20197	3.2
293.21222	6.6
294.21606	0.9
311.22348	2.8
349.04080	0.4
427.13754	0.6
427.28943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67300	1.2
52.58353	1.2
55.10151	1.4
59.01252	100.0
60.01580	1.8
66.67184	1.3
69.35046	10.1
85.55140	1.5
98.30002	1.6
139.69234	1.4
151.18120	1.3
161.17555	1.3
168.61491	1.4
214.71184	1.4
293.21140	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	8.9
57.03323	10.8
59.01252	13.5
61.98693	1.4
69.03313	1.2
69.48097	1.1
71.01253	11.5
71.53878	1.1
72.99171	1.7
73.02829	2.7
75.00739	4.1
81.03300	1.0
81.39031	1.0
83.01263	2.5
83.04903	1.6
85.02833	6.8
87.00736	5.5
89.02310	6.5
93.03344	2.5
95.04894	2.9
97.02831	7.9
97.06467	2.8
99.00763	3.0
99.04366	1.4
101.02320	6.4
107.04906	1.4
109.02830	4.2
109.06474	5.3
111.00752	1.5
111.04391	4.7
113.02340	2.4
119.03406	1.5
119.04957	2.2
119.08565	1.6
121.06499	5.8
122.03609	9.2
123.04401	3.2
124.05184	17.1
125.06022	5.4
129.01741	2.0
132.02098	1.4
133.02853	2.2
134.03641	19.9
135.04431	1.6
137.05972	14.0
139.07549	100.0
140.07887	4.1
146.06013	1.9
147.02898	11.1
147.04018	2.0
147.08025	3.6
148.05048	1.2
149.02377	1.5
149.05928	3.7
160.01576	7.3
160.18832	1.1
163.03906	1.9
163.07559	2.1
163.11214	1.3
168.07840	22.9
169.08508	4.1
171.08047	2.2
173.28691	1.2
175.03943	7.9
175.11201	2.8
177.12646	1.5
183.94263	1.2
187.11172	17.0
188.11557	1.9
189.09256	1.6
190.02556	1.9
190.09930	2.7
191.05515	4.2
192.57140	1.1
193.04980	16.1
194.05249	1.7
205.12274	29.5
206.12593	2.3
223.06194	1.7
231.10320	1.4
235.06044	3.1
235.13347	4.1
241.07394	2.9
249.11296	2.6
251.36705	1.5
265.07120	2.6
279.12360	38.4
280.12640	3.7
339.08066	1.3
409.14087	2.3
427.16028	33.3
428.16223	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	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90729	0.5
57.03323	0.7
59.01263	2.8
68.86482	0.5
71.01251	1.5
71.04905	0.6
71.53797	0.8
72.99194	0.5
83.04888	0.7
177.12744	0.7
183.13858	11.7
193.12302	1.2
195.13855	23.5
196.14165	1.8
211.13348	34.3
212.13687	2.5
213.14940	8.0
214.15334	0.9
215.07043	0.6
309.20676	1.2
315.26984	3.4
333.28018	0.7
341.24722	1.0
359.25888	3.2
360.26044	0.8
377.27060	3.6
377.62518	0.6
389.27417	0.6
399.80121	0.6
407.28061	1.4
425.29114	100.0
426.29456	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	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30751	0.5
55.01757	1.1
57.02050	0.4
57.03316	1.2
59.01255	7.9
68.99672	0.9
71.01254	10.1
71.53344	0.7
72.99196	1.2
73.02834	6.7
75.00735	1.0
85.02831	5.2
87.00748	2.5
89.02325	3.9
89.03851	1.2
91.03920	0.5
93.03322	0.9
95.01326	0.5
95.04911	0.9
97.02850	0.7
99.00758	9.8
99.01354	0.8
101.02338	5.5
105.03394	0.5
109.02867	0.8
111.00813	0.6
113.02340	6.6
117.03349	5.5
117.60824	0.5
119.04924	13.2
121.02853	0.6
121.06527	0.6
123.04388	0.5
124.05184	0.5
125.05929	0.7
129.01819	1.0
131.03401	0.8
132.02078	5.1
133.02885	4.5
134.03636	87.8
135.03932	3.7
137.02341	0.8
137.05949	0.6
139.00327	0.5
139.07552	4.4
140.07834	0.5
145.02863	5.8
147.04413	1.6
148.05157	0.7
149.02333	1.4
149.05991	13.8
150.06371	0.6
153.01717	0.5
160.01573	21.4
161.01945	0.8
163.03917	14.2
164.04396	0.9
168.07875	1.0
173.04443	0.6
175.03926	23.9
176.04401	1.9
177.01761	1.5
177.05458	0.6
177.12955	0.5
178.02585	0.9
187.11276	1.0
191.05527	0.9
191.07114	1.2
192.04140	0.6
193.04996	100.0
194.05336	6.1
205.12283	1.4
206.05759	2.2
217.05133	1.0
221.08153	4.9
223.06032	0.9
235.06090	6.2
249.06084	3.3
251.05380	0.8
263.07748	4.1
265.07184	24.5
266.07632	1.2
279.12296	2.5
281.08817	11.4
281.13742	0.8
283.33240	0.5
291.07205	1.5
325.09286	6.8
351.10959	2.0
365.08752	0.6
367.10275	6.0
368.10245	0.6
395.09705	1.1
427.11975	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	424.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	65.9
60.01594	7.4
71.01250	12.1
71.32555	10.8
72.99187	23.8
85.02805	6.6
87.00769	11.3
89.02330	8.7
93.03340	13.3
98.02371	16.7
111.04426	9.3
119.04870	10.1
123.04412	8.5
133.02892	6.6
133.06458	5.9
134.03625	9.9
136.01636	12.6
139.03833	7.1
146.03645	22.9
147.03235	8.3
147.04427	23.9
150.03136	17.0
151.03894	11.0
155.03392	15.9
156.04466	18.2
157.04721	5.3
158.03174	5.8
162.03136	7.5
162.05498	8.1
165.05429	10.9
172.03961	9.4
173.04660	100.0
174.05481	17.5
177.05542	14.0
188.07132	43.3
191.05556	56.9
192.05995	5.8
192.68695	5.0
200.03488	10.1
205.05061	12.5
206.08197	15.0
218.04634	7.3
232.06123	39.6
250.07167	98.5
267.13708	5.9
362.46954	6.4
424.12567	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	424.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
55.77307	0.5
59.01231	0.6
66.91143	0.4
70.72604	1.1
78.95780	10.8
93.75904	0.5
96.36058	0.5
104.71191	0.5
109.68600	0.5
110.98407	8.6
112.98792	0.5
129.01878	0.7
139.48505	0.5
147.02895	1.2
167.01064	7.5
168.01355	1.9
185.02174	2.8
186.02409	0.6
187.02658	0.7
191.12146	0.6
244.07458	0.5
255.23273	30.4
256.23618	100.0
257.23862	4.8
277.21722	2.5
314.30460	0.5
424.25491	16.3
425.25751	1.5
447.95926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01568	1.2
61.98699	1.9
68.19189	0.9
71.01256	6.3
72.99189	1.9
83.04877	1.1
87.00774	1.6
90.97159	0.9
95.80091	1.0
96.95872	2.0
115.00261	3.0
133.01334	1.4
136.54230	1.1
193.04965	1.1
291.19666	5.4
309.20715	19.6
310.21173	2.6
342.07364	2.1
395.61652	1.0
407.21036	1.4
423.45602	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	423.2757
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
55.85553	1.1
57.03327	1.0
57.53067	0.8
59.01239	2.2
71.53555	1.5
99.10146	0.9
111.08040	1.2
140.75908	0.8
161.04544	0.9
165.12778	6.9
183.13837	100.0
184.14177	5.9
195.13841	13.8
196.14192	1.0
209.11829	1.0
213.14912	14.4
227.12881	6.1
255.23347	4.0
304.75293	1.1
361.27548	9.8
362.27869	1.4
423.27557	34.4
424.27863	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	424.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04291	1.2
54.20145	1.5
57.03331	1.2
59.01249	6.5
65.94373	1.3
67.01762	4.4
69.03317	1.6
70.11324	2.5
70.11689	4.7
71.01261	6.1
72.99185	7.8
85.02841	4.3
87.00291	1.6
87.00739	7.1
93.03337	30.8
94.50148	1.2
98.02369	2.5
99.00776	1.7
100.16708	1.3
101.02348	1.4
109.02902	1.3
111.04406	5.6
113.02276	1.6
119.04934	1.6
133.02911	1.9
134.03650	5.8
135.04463	4.9
137.02312	4.3
139.03891	1.2
144.04443	2.5
146.03661	2.8
147.04416	4.3
149.02368	1.9
150.03104	7.1
155.03423	4.1
156.04501	2.3
161.02351	3.4
162.03157	2.8
165.05473	4.5
168.09430	1.6
173.04514	100.0
174.04922	3.1
175.03822	1.5
177.05440	3.6
188.07111	11.8
191.05545	29.3
193.05008	3.3
206.08173	5.6
232.06143	5.5
250.07196	24.6
251.07616	1.7
288.88113	1.3
295.78165	1.5
337.07693	1.4
406.11145	1.4
424.12408	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84559	0.3
69.46664	1.9
78.95775	11.9
81.50263	0.3
104.97313	0.6
110.98413	8.7
125.70897	0.3
152.99443	0.4
167.01059	10.8
168.01418	0.6
185.02118	2.0
201.88391	0.3
208.40875	0.3
255.23271	100.0
256.23615	9.7
279.39059	0.3
423.25186	17.6
424.25412	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00469	0.2
64.79211	0.2
66.05753	0.3
78.59160	0.3
78.95781	7.5
110.98418	6.5
149.32495	0.2
152.99446	0.5
167.01059	5.7
185.02139	2.8
189.50137	0.2
209.82922	0.2
255.23274	100.0
256.23633	10.6
292.89224	0.2
423.25186	10.1
424.25677	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34305	3.0
78.95772	8.7
87.21227	0.3
88.31251	0.3
94.39159	0.4
98.54266	0.3
107.31850	0.4
110.98417	7.0
126.45502	0.3
167.01064	8.1
185.02179	2.3
195.26241	0.4
255.23277	100.0
256.23621	10.0
333.12149	0.3
423.19434	0.7
423.25171	12.5
424.25534	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45380	0.2
53.60853	0.2
53.98542	0.3
60.70164	0.2
71.01598	0.6
71.73238	0.2
73.42245	0.2
78.95776	10.7
89.96522	0.3
97.18114	0.2
110.98418	7.0
129.82658	0.2
130.38106	0.2
152.99532	0.4
167.01048	7.9
168.01405	0.4
171.72130	0.3
185.02141	3.3
186.02357	0.3
255.23268	100.0
256.23615	9.9
300.80844	0.3
314.30139	0.3
325.90091	0.3
332.95926	0.2
339.75665	0.3
423.25174	12.2
424.25525	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53802	0.7
54.06330	0.8
54.59309	0.7
55.00092	0.8
59.01254	21.7
68.58880	0.8
68.65305	0.8
68.99694	2.2
69.25172	8.8
71.01256	74.3
72.01578	1.1
72.99174	2.0
75.00731	1.1
75.80558	0.9
79.05392	1.0
81.40202	0.8
85.02777	0.9
86.47195	0.9
87.00761	6.6
89.02325	4.7
91.05421	6.2
92.26875	1.0
93.03324	1.8
95.04899	2.6
97.06512	1.0
101.02345	0.8
103.05415	4.4
105.03342	8.9
108.02036	2.9
119.04924	9.2
121.02853	9.9
122.03592	1.0
129.03369	2.0
131.32930	0.8
135.04369	1.2
137.02347	7.9
139.03912	3.4
145.02882	5.2
146.03596	1.8
147.04422	100.0
148.05086	9.1
149.06017	10.4
161.02345	4.9
163.03908	2.8
164.04709	1.2
165.10703	1.0
173.02414	1.3
173.06010	2.5
175.03925	1.7
176.04640	3.1
177.05573	1.8
179.03351	1.3
191.03432	36.5
192.04207	11.2
193.04994	12.1
195.54169	0.8
201.05492	2.4
202.06332	4.4
203.07076	1.9
205.06538	0.8
210.27515	0.8
215.35446	0.9
217.01399	8.2
218.02075	2.9
219.02982	1.8
219.06564	2.3
220.07262	1.7
221.07986	1.0
224.25871	0.8
275.09244	1.5
289.10828	19.8
290.11169	2.1
315.08768	12.4
316.08884	1.5
317.10245	1.9
317.13745	0.9
319.11887	1.5
333.09830	20.4
334.10162	2.7
361.12634	1.4
381.67490	1.1
423.12930	61.2
424.13068	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	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.6
59.01256	18.4
60.01534	1.7
61.98690	1.8
68.26073	1.3
69.45564	1.3
71.01257	42.9
71.49110	3.2
72.99174	2.0
73.02819	4.7
75.00745	3.4
81.03342	1.5
83.01250	1.9
85.02833	6.8
87.00767	11.8
89.02335	3.7
93.03325	4.4
99.00757	5.3
100.01077	1.6
101.02320	5.5
109.02856	1.8
111.00733	1.8
113.02299	3.4
113.79284	1.5
119.03411	1.5
119.04924	2.0
123.04435	1.5
129.01753	1.7
135.69272	1.4
137.02328	3.8
146.03635	3.4
147.04480	1.9
148.05164	1.7
149.02440	1.9
149.05960	2.4
150.03101	2.4
159.04378	2.0
162.06769	2.4
163.03935	2.3
163.07536	4.0
165.01767	2.0
165.03996	2.1
165.05460	3.0
173.04457	3.2
173.05988	3.7
173.09662	2.5
175.07562	2.9
186.06787	7.5
187.07619	8.8
188.08347	12.9
189.09067	10.8
191.05576	3.2
191.10663	2.8
195.06627	1.7
197.06009	2.4
198.06812	3.7
199.07518	2.1
199.11203	2.1
201.05492	1.8
201.09117	14.5
213.09096	1.7
216.07825	9.4
217.08574	2.9
217.12277	16.4
218.12497	2.0
219.10219	5.8
225.09161	1.8
227.10724	25.1
228.11002	2.6
233.08159	2.2
243.10126	2.4
245.11812	13.8
250.07170	1.9
260.06946	3.9
261.11298	6.0
271.09778	11.5
289.10818	100.0
290.11172	9.1
315.08722	17.8
316.09100	1.8
323.09079	1.5
333.09842	15.1
334.10086	2.3
334.80994	1.4
345.09409	1.7
423.12949	61.7
424.13120	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	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18662	1.0
57.68538	1.0
59.01253	23.3
61.70181	1.0
68.99677	1.2
71.01257	100.0
71.33606	1.6
72.01572	1.7
72.99191	1.6
73.02810	1.2
73.23713	1.0
75.00749	4.8
79.05402	1.1
85.02813	2.1
87.00753	9.3
89.02331	9.6
91.05401	4.8
93.03329	2.1
95.04907	3.0
97.06467	4.3
101.02317	2.7
103.05410	5.6
105.03338	7.8
107.04936	1.5
108.02062	1.4
109.02851	2.3
119.04926	9.9
121.02872	15.3
122.03635	3.4
125.09567	1.1
129.03311	2.2
137.02315	5.6
139.03908	3.4
145.02876	3.2
146.03590	2.7
147.04433	87.7
148.05241	9.5
149.05949	11.0
161.04561	1.6
163.03941	1.6
165.03973	10.9
174.03059	1.3
182.10994	1.0
187.07648	1.7
191.03439	48.7
192.04176	14.5
193.05014	12.8
194.05252	1.5
202.06297	1.8
217.01361	4.4
234.37114	1.2
243.72409	1.1
245.11824	10.3
261.11453	1.3
289.10837	60.4
290.11093	4.5
291.12476	2.4
299.12762	1.7
315.08740	6.8
317.13962	3.3
333.09827	22.0
334.10172	2.6
335.14914	5.8
423.12970	69.6
424.13162	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	423.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	3.1
59.01254	42.6
69.20831	11.5
69.21261	12.3
70.27673	2.6
71.01259	68.0
72.99166	5.0
78.95756	2.4
85.02812	6.4
87.00756	22.7
89.02298	7.2
91.05403	5.3
93.03312	3.3
95.04934	3.6
101.02328	4.8
103.05397	4.1
105.03336	7.7
108.02055	3.2
109.02811	3.1
113.02290	3.7
119.04916	15.0
121.02840	13.0
129.03351	4.1
135.04369	4.9
137.02309	13.3
139.03911	6.5
141.52643	2.2
145.02847	8.2
146.03619	3.0
147.04419	100.0
148.05174	11.7
149.05960	10.8
159.04376	5.2
161.02338	4.5
161.05940	3.2
162.03111	3.3
163.03854	7.2
165.03932	6.6
165.05414	3.1
173.04492	4.7
173.05954	13.3
174.03149	3.3
175.03920	5.2
177.05513	4.7
187.03891	3.5
189.05571	3.0
191.03452	41.5
192.04161	16.4
192.07825	2.7
193.05067	11.2
201.05458	7.4
202.06306	19.5
203.06931	4.3
217.01357	8.4
218.01956	4.8
219.02921	3.9
220.07347	7.4
220.87880	2.8
275.09351	3.8
289.10858	17.2
296.36279	2.5
297.63751	2.2
313.03525	3.3
315.08789	14.7
316.09158	3.0
333.09772	19.6
423.12900	82.6
424.13025	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	421.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	10.2
59.01251	25.2
60.65468	1.3
62.52763	1.5
71.01254	6.2
71.04891	4.1
71.53824	1.4
72.02045	6.6
87.00766	1.6
89.02287	1.3
96.95898	2.0
97.06474	2.0
101.05968	100.0
102.06304	3.0
107.04917	5.8
109.06492	4.4
117.81813	1.4
125.05962	2.0
144.78957	1.5
189.12766	3.0
191.94917	1.6
233.15305	2.9
237.09184	2.2
245.19052	4.3
257.19330	1.6
259.16986	2.8
273.18604	2.6
275.20203	6.9
284.17520	1.8
289.21683	1.7
299.20172	25.2
300.20660	2.5
301.18054	2.0
317.21210	19.4
318.21353	2.4
361.20316	3.2
377.23306	13.3
379.21255	12.5
403.15393	1.3
403.24533	3.0
421.25525	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50221	0.5
50.96471	0.5
63.28130	0.5
69.34002	1.0
69.34409	3.6
76.50666	0.5
78.95776	42.0
104.97315	0.6
110.98413	54.4
137.00026	0.7
152.99463	3.9
167.01068	13.1
185.02130	100.0
186.02512	2.1
204.58432	0.5
253.21700	26.1
254.22069	2.7
421.23550	11.3
422.23779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87233	0.4
55.68436	0.5
56.75402	0.4
62.71601	0.5
69.80806	2.4
73.45406	0.4
78.95773	27.8
105.57801	0.5
110.98412	51.3
137.93582	0.5
152.99458	3.9
167.01022	1.5
170.83946	0.5
185.02122	100.0
186.02484	2.1
210.74483	0.5
253.21698	25.4
254.22119	2.4
258.42902	0.4
380.18301	0.5
421.23639	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	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03315	1.5
59.01254	6.0
65.03819	1.4
66.04856	0.5
69.03327	1.4
71.01242	1.2
71.04887	0.7
81.03310	0.8
83.04906	6.3
85.06458	2.0
87.28687	0.6
91.05418	0.6
95.04888	0.7
97.06462	3.3
105.06954	0.6
107.08493	1.0
109.06484	2.0
111.08062	3.3
119.04923	1.4
119.08605	0.5
123.08048	1.0
124.54637	0.5
125.09618	10.0
126.10011	0.6
133.06458	0.7
137.09604	1.5
145.89265	0.6
151.11285	0.9
153.09099	1.1
155.10648	0.6
159.11734	0.7
167.10605	0.7
171.10185	25.4
172.10481	0.6
185.11821	1.4
187.14885	1.5
189.16490	1.0
201.14922	0.6
205.15945	4.0
209.11777	2.5
211.13336	5.1
213.14879	1.0
215.14369	2.6
219.10251	1.0
221.15405	2.1
231.13919	3.2
233.01144	0.7
233.15433	33.3
234.15640	3.4
237.14915	0.6
239.16458	0.8
247.13417	0.6
249.14917	12.7
250.15251	1.5
251.16521	2.6
252.13625	1.0
257.17511	2.3
283.19385	0.8
313.25345	1.1
331.26419	2.1
341.24728	2.5
349.27463	0.9
357.24149	0.6
359.25830	1.8
367.22681	1.6
375.25388	2.5
377.26752	3.6
385.23846	7.7
386.24170	1.7
393.26593	2.2
403.24902	64.6
404.25308	9.8
421.25958	100.0
422.26263	18.6
422.31787	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	420.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43548	0.6
59.01254	4.7
71.01246	2.5
71.53543	0.8
72.99145	0.8
73.02834	1.2
81.03344	1.5
82.42715	0.6
85.02819	2.0
87.00752	1.9
89.02277	1.1
93.03329	1.8
95.01265	1.5
97.06476	0.8
101.02334	0.9
108.02055	100.0
109.02871	21.6
110.03122	1.1
113.02374	0.8
121.02881	1.4
122.02357	7.2
123.00752	1.3
125.02303	1.0
129.01825	1.4
135.00754	0.8
147.02914	0.8
149.05898	0.7
151.03906	2.7
152.01056	55.5
153.01846	29.1
154.02196	1.2
159.04399	1.3
163.03931	2.1
165.01814	1.2
173.04539	1.1
186.05533	2.9
191.05530	1.2
195.02843	0.9
225.03909	0.9
241.07259	0.7
242.07634	1.2
254.76512	0.7
297.06110	2.9
300.12555	3.9
333.04333	1.9
344.11450	2.4
390.55847	0.7
420.09357	79.6
421.09796	9.2
428.39905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94614	0.7
59.01254	7.5
65.03809	0.8
69.27115	6.3
71.01254	2.7
72.89545	0.7
73.02819	1.2
79.05401	1.6
83.01256	1.2
87.00759	7.2
89.02317	1.0
91.05449	0.9
93.03339	8.6
95.01270	1.1
98.20589	1.6
101.02323	0.9
105.03348	5.2
107.04905	2.3
107.97594	0.8
109.02859	1.5
113.02333	1.4
119.04914	3.1
121.02827	2.1
121.06490	6.9
123.04409	16.5
125.02319	1.3
130.99780	1.0
133.02776	0.7
133.06509	1.0
135.04407	4.3
145.02864	1.0
145.80092	0.8
147.04428	3.6
149.02348	7.7
149.06001	3.1
151.03918	15.5
161.02377	1.3
161.05986	1.5
163.03935	9.9
164.04570	1.6
165.05482	63.4
166.00848	2.6
166.05858	2.5
167.03436	3.0
171.04604	1.0
175.03946	2.5
177.05490	16.1
178.05788	0.9
187.03970	1.0
189.05258	0.8
190.02628	1.2
191.03491	2.1
191.05402	0.8
193.04994	100.0
194.05382	6.2
203.03423	1.0
205.05006	26.3
206.05426	1.3
207.06575	1.1
217.05174	0.9
223.06064	19.8
224.06281	0.9
231.01210	1.0
235.05965	1.6
257.08130	3.5
269.08032	1.2
299.09247	94.2
300.09604	9.9
311.09247	1.6
329.10291	26.2
330.10617	3.0
333.04523	3.5
341.10281	2.2
401.12485	1.6
419.13303	6.0
419.19034	3.1
420.13525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.135
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01772	0.5
59.01261	7.8
65.03848	0.7
69.45010	2.8
71.01258	5.5
72.01586	0.4
72.99173	0.7
73.02825	1.4
75.00763	0.6
77.09565	0.4
81.03354	0.8
83.01261	1.1
83.04926	0.7
85.02823	3.2
87.00758	6.5
89.02329	2.0
89.62321	0.4
93.03344	5.5
95.01269	1.0
99.00768	0.8
101.02325	2.7
106.04130	9.3
107.04920	25.8
108.02061	4.8
108.05274	0.5
109.02821	1.3
111.00763	0.5
111.04443	0.6
113.02328	2.3
119.03383	0.6
119.04924	2.2
121.02864	4.3
125.02328	0.8
130.99768	1.3
135.04414	1.0
135.18372	0.4
137.02295	1.1
138.03055	0.8
147.04437	1.4
149.05942	0.7
150.03134	0.7
151.00276	0.6
152.01128	1.0
153.01852	0.9
162.13821	0.4
163.03889	0.6
163.93880	0.4
171.08054	0.8
182.02144	0.8
187.03952	0.9
191.05553	0.6
192.04272	0.5
205.01440	0.5
211.07611	11.1
212.08041	0.4
213.09175	66.2
214.09515	6.6
215.07172	0.5
226.06471	0.6
227.10844	0.6
231.10229	0.4
257.08212	8.8
258.08548	0.8
271.19214	0.8
290.05850	0.4
328.52823	0.4
369.11948	0.9
419.13483	100.0
420.13824	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	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
63.83258	0.8
69.22198	7.4
71.01240	1.1
80.14937	0.7
87.00753	6.1
89.02299	1.0
91.05408	0.8
93.03321	2.2
95.01279	1.8
108.32222	0.8
109.02859	4.3
119.04929	1.6
121.02821	4.0
122.03625	4.7
123.04414	15.9
128.91963	0.8
130.99718	1.1
135.04417	17.5
136.05199	5.5
137.02312	2.9
137.06061	0.9
147.04440	4.0
148.01575	7.9
149.02391	4.0
149.05934	1.3
150.03149	6.5
151.03920	15.7
152.57529	0.9
153.01851	0.8
159.04416	0.8
161.02318	10.6
162.03142	30.4
163.03920	21.9
164.04645	3.8
165.01859	2.0
165.05519	2.1
166.02596	1.0
167.03308	0.7
175.03813	1.1
178.02592	1.1
179.03419	3.2
181.05008	5.2
181.10143	1.3
189.01855	13.0
189.50871	0.8
190.02646	46.6
191.03000	4.1
192.04178	2.7
193.04961	1.8
202.02692	2.1
208.03625	2.4
209.04288	1.0
211.07626	1.9
213.09105	1.5
220.03729	27.9
221.04041	1.8
223.06007	1.3
225.09212	3.9
227.10764	4.0
232.03763	1.5
237.09155	1.6
239.10732	1.1
251.07074	1.4
253.08759	6.1
255.10257	2.3
257.08176	2.9
265.08469	1.8
267.10193	2.7
281.08200	18.3
282.08508	1.9
283.09714	3.7
284.10211	0.9
293.08099	2.2
299.09241	100.0
300.09552	12.1
311.09338	7.9
312.09351	0.9
329.10294	48.4
330.10599	6.9
341.10315	3.5
342.10568	1.0
383.11139	1.5
399.58701	0.9
401.12433	3.9
419.13400	6.6
419.18704	1.2
420.13928	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	419.0986
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01251	1.1
70.16081	1.0
71.01257	0.5
81.03329	1.2
85.02837	0.8
87.00755	1.6
93.03360	0.6
95.01294	0.4
106.25977	0.3
108.02061	100.0
109.02910	13.2
110.03197	0.8
121.02852	5.0
123.04412	1.0
130.99734	0.4
133.02855	1.0
135.00740	0.4
135.04416	0.4
137.02338	0.4
149.02299	0.4
150.03157	1.6
151.03937	2.4
152.01068	53.3
153.01863	19.6
154.02228	0.7
163.03917	1.9
165.01845	0.9
165.05508	1.3
181.05174	0.4
182.62352	0.4
195.02951	0.4
195.06653	0.6
223.05981	0.8
369.12122	0.6
419.09845	58.9
420.10132	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.1
70.16081	1.0
71.01257	0.5
81.03329	1.2
85.02837	0.8
87.00755	1.6
93.03360	0.6
95.01294	0.4
106.25977	0.3
108.02061	100.0
109.02910	13.2
110.03197	0.8
121.02852	5.0
123.04412	1.0
130.99734	0.4
133.02855	1.0
135.00740	0.4
135.04416	0.4
137.02338	0.4
149.02299	0.4
150.03157	1.6
151.03937	2.4
152.01068	53.3
153.01863	19.6
154.02228	0.7
163.03917	1.9
165.01845	0.9
165.05508	1.3
181.05174	0.4
182.62352	0.4
195.02951	0.4
195.06653	0.6
223.05981	0.8
369.12122	0.6
419.09845	58.9
420.10132	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1195
Annotation	3'-C-Glucosylisoliquiritigenin
Peak:m/z	Relative Intensity
55.01746	0.9
56.67031	0.8
57.54524	0.6
59.01256	8.5
59.95039	0.7
61.27946	0.7
65.03809	1.1
67.01756	2.1
69.03311	0.9
69.66759	4.0
71.01248	3.3
73.02801	0.9
79.05406	1.6
79.18272	0.7
79.36164	0.6
83.01277	0.8
85.02829	2.2
87.00747	3.5
89.02304	1.0
91.05419	1.0
93.03345	8.1
94.03647	0.8
95.01273	5.6
95.53246	0.7
99.00743	0.9
101.02315	1.1
105.03353	4.0
107.04905	2.8
109.02834	11.2
110.97495	0.7
111.04388	1.2
113.02328	1.4
117.03389	1.0
119.04917	2.2
119.08665	0.7
121.02852	7.7
122.03654	4.8
123.04420	42.3
124.04745	2.0
131.04973	0.7
133.02806	1.3
134.03709	0.8
135.00798	1.0
135.04436	11.8
136.01537	0.8
137.02374	5.8
145.02849	1.6
147.04390	0.7
148.01601	1.3
149.02353	13.2
149.05927	0.9
150.03143	11.1
151.03926	19.3
152.04132	1.1
161.02370	2.7
162.03076	0.8
163.03920	22.4
164.04326	1.1
165.05417	1.2
166.02682	1.2
167.03387	3.4
173.04501	4.4
173.05852	0.8
174.04837	1.6
175.04967	1.0
176.01089	0.8
177.01871	3.3
178.02660	3.6
179.03433	1.9
179.98795	0.8
181.04984	8.0
181.10153	1.9
182.02197	1.7
183.10208	0.9
189.01836	1.6
189.05457	1.1
191.03572	1.0
191.05540	5.5
192.05792	0.8
193.04836	1.7
197.09837	1.1
197.11739	1.0
205.01376	3.9
205.04861	1.0
206.02090	1.0
207.02992	1.2
208.03654	2.2
211.07616	1.3
217.04926	1.0
223.07581	5.5
225.09183	8.4
227.07098	7.0
228.07339	0.8
235.02466	2.2
236.02937	0.8
237.09161	1.6
239.07109	3.2
241.08665	15.7
241.10989	1.1
242.08960	1.3
243.12398	1.7
251.07074	2.2
253.08702	8.9
255.06668	2.1
265.08563	1.6
266.05884	0.9
267.06836	2.2
269.08188	48.4
270.08539	4.4
281.08206	13.4
282.08578	1.6
283.09686	1.5
297.07684	100.0
298.08026	10.8
299.09244	17.6
300.09586	1.4
309.07678	1.8
311.09384	1.1
327.08731	46.4
328.09106	5.3
339.08615	3.0
341.10403	1.2
370.09509	0.7
377.49243	0.8
381.09543	1.5
399.10910	3.9
399.16205	1.6
417.11868	26.1
417.17505	9.7
418.12140	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61152	1.6
59.01244	8.4
67.01765	3.8
69.03335	2.9
71.01239	5.4
72.99174	5.1
75.00747	2.8
81.03335	3.6
83.04888	5.1
84.93122	1.7
85.02814	15.8
87.00750	11.3
88.11101	1.8
93.03325	27.6
95.01265	6.1
95.04907	3.9
97.02890	2.0
99.00748	2.1
105.03357	3.4
107.04893	3.5
109.02831	5.3
111.00798	2.0
111.04390	10.4
115.74203	1.9
117.03338	2.6
121.02856	23.0
123.00778	5.7
123.04403	11.8
124.01566	3.3
125.02307	3.3
127.03905	4.1
132.02107	2.9
133.02811	4.9
134.03636	22.7
135.04517	2.2
136.01595	3.0
137.02367	15.3
137.06064	2.3
138.03104	3.7
139.03891	5.4
148.01569	13.5
149.02356	22.7
149.06026	4.4
150.03087	6.8
151.03874	1.9
153.01762	2.3
153.05534	8.7
155.03407	5.7
163.03938	15.8
165.01851	2.7
165.05443	3.5
166.02599	14.4
167.03386	8.7
171.02863	1.9
173.04483	28.4
176.00955	3.6
178.02676	2.3
181.04970	10.1
182.05756	2.1
191.05544	100.0
192.04233	3.8
192.05908	5.1
193.01350	6.1
193.05002	30.4
194.01927	2.7
194.05457	2.5
199.06024	2.4
207.02922	5.7
208.03644	5.9
209.04449	7.2
211.02272	2.9
212.14742	1.7
219.50398	1.8
225.03978	3.7
243.05222	3.6
245.66615	1.6
330.44992	1.7
366.09387	4.7
367.10364	25.7
368.10529	2.1
384.10522	3.2
417.10333	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	416.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02460	0.7
54.40579	0.7
57.03324	0.9
57.95006	0.8
58.59972	0.8
59.01250	10.6
60.01585	1.5
69.54945	4.3
71.01237	2.6
73.02827	1.0
75.00739	2.4
85.02834	4.1
86.89148	0.8
87.00743	4.5
93.03350	5.9
94.06494	1.3
94.07670	0.9
101.02324	1.2
105.03329	2.4
107.04927	0.8
108.02062	0.9
109.02827	1.4
119.04077	1.1
119.04926	20.1
121.02830	3.6
121.06466	0.8
128.01117	0.9
133.02837	3.1
135.00819	0.9
135.04393	1.2
145.02846	1.4
146.03632	1.0
147.04347	1.4
149.02359	2.1
149.05951	2.1
161.02348	1.5
163.03894	1.2
165.03925	5.4
166.04280	1.1
167.06055	1.7
172.05112	1.2
173.04526	3.3
173.05942	1.3
174.03069	1.0
175.03824	1.0
177.01854	8.1
184.03976	5.6
185.05946	1.2
186.03137	0.8
186.05502	2.6
187.07558	1.7
188.04724	1.5
189.01884	0.9
191.05551	15.5
192.05901	4.1
193.05051	1.9
195.02945	3.9
195.04460	0.9
195.06783	1.6
197.04752	4.1
198.05539	25.0
199.06282	6.1
201.05440	1.0
201.07864	4.4
202.08612	1.4
207.02980	2.4
209.48869	0.7
210.05449	1.2
211.04309	0.9
211.06236	4.4
212.07132	7.5
213.07849	16.6
214.08441	2.3
214.12247	0.9
221.04744	1.1
222.09242	0.9
223.13261	1.8
224.07205	1.2
224.10753	1.0
224.13686	3.0
225.05719	1.1
225.07811	1.0
226.08694	11.7
226.76671	0.8
227.09302	2.4
238.08911	1.0
239.05827	2.9
240.10242	7.3
241.10922	6.2
242.11836	100.0
243.12210	10.0
250.08804	5.8
252.06665	2.7
255.06575	1.0
264.07599	1.7
266.08710	1.0
267.09195	1.9
267.12457	1.1
268.09827	23.5
268.12738	2.5
269.07980	1.7
269.10443	1.4
281.08099	0.8
286.10895	2.3
294.08630	1.2
297.07678	25.4
309.07468	1.1
310.14420	5.9
312.09827	1.0
318.91757	0.8
327.08743	6.5
328.15558	21.5
329.15906	2.1
343.08115	1.2
346.16687	1.6
354.13455	18.9
355.14200	1.8
356.08978	5.7
357.09204	0.9
372.14578	7.7
373.15799	1.1
396.45230	0.8
398.12436	45.5
399.12665	5.6
416.12921	20.0
417.12204	6.9
417.17053	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53378	2.7
53.33189	3.7
59.01243	9.6
60.99168	3.3
67.01765	5.2
70.91478	4.3
70.91817	5.3
71.01250	11.4
72.99179	7.4
85.02840	15.4
87.00746	15.6
90.91393	3.0
93.03325	47.6
95.01256	3.4
95.04900	3.5
101.02345	5.0
107.04877	4.3
108.97459	3.2
109.02845	5.4
111.04404	9.3
118.30850	3.2
121.02840	12.9
123.00732	4.7
134.03720	4.2
135.04417	3.8
137.02335	18.2
148.01559	10.4
149.02339	10.5
151.03938	4.7
152.27353	3.3
153.05452	7.9
155.03448	7.5
163.03955	13.4
165.05571	3.7
166.02631	9.5
166.19360	3.0
167.03253	3.4
173.04472	100.0
174.04790	6.9
181.05040	6.0
191.05542	83.2
192.05797	5.3
193.01375	3.3
193.04906	6.1
200.71622	3.1
321.25735	3.1
366.34457	3.3
367.10281	14.1
417.10791	4.6
417.17505	4.0
439.21320	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01252	6.8
59.92477	0.2
60.99183	0.6
62.44959	0.2
67.01768	2.1
69.03333	0.6
71.01260	2.3
71.02317	0.4
72.99184	0.3
73.02819	0.6
81.03329	0.9
83.01218	0.2
83.04893	0.7
85.02827	10.5
86.03185	0.3
87.00754	5.1
89.02330	0.4
93.03339	16.7
94.03669	0.6
99.00771	1.2
99.04388	0.8
101.02325	0.6
105.03381	0.3
109.02819	1.0
111.04406	2.8
113.02306	0.8
119.04904	0.3
119.08577	0.2
121.02848	0.5
125.02286	0.3
127.03922	1.8
129.01817	0.6
130.99738	0.2
137.02353	0.8
137.09612	0.3
145.02878	0.3
147.04424	3.4
148.05252	0.3
149.02405	1.1
149.04527	0.2
149.04915	0.2
149.05986	1.7
155.03419	0.8
159.04437	2.7
163.07617	0.3
164.04703	0.9
165.05418	0.4
171.02914	0.8
173.04501	6.6
173.05986	0.9
174.04800	0.4
179.07072	0.8
181.08699	0.7
191.05545	100.0
192.04251	0.5
192.05864	4.3
193.04959	0.9
197.11787	1.8
201.05579	1.1
207.06587	0.3
241.10693	1.9
245.04457	0.4
252.04202	0.2
253.08699	0.4
267.10291	0.7
295.09753	0.4
297.07513	0.4
306.05069	0.3
321.07611	0.3
339.08710	1.2
341.13831	0.2
397.15082	0.4
415.11044	0.7
415.16086	19.1
416.11649	0.3
416.16571	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
56.91730	0.7
57.03327	6.6
59.01251	100.0
60.01578	1.3
60.99167	0.8
61.98703	8.7
66.25751	0.7
67.01759	1.3
67.05364	0.7
69.03329	0.8
69.18790	7.3
71.01247	7.2
71.04894	1.4
72.99181	1.3
73.02821	2.9
75.00736	0.7
77.97907	0.7
81.03346	2.1
83.01254	1.1
83.04906	2.9
85.02435	0.6
85.02835	5.0
87.00759	8.6
89.02325	0.9
93.03345	10.6
93.75067	0.6
94.47096	0.7
95.01286	0.9
97.02872	0.7
97.06469	0.7
98.20541	1.8
99.00745	1.5
99.04396	3.7
101.02329	3.5
105.14321	0.7
107.04907	0.7
108.02086	1.1
109.02847	2.0
111.04403	9.2
113.02353	1.8
119.04945	0.8
119.08555	3.3
121.02843	3.2
123.04428	5.7
125.02358	1.3
127.03886	2.0
129.01825	1.1
135.08025	1.1
137.02365	2.4
137.09625	6.6
139.03918	0.8
147.04395	1.4
149.02357	1.2
149.05998	2.1
151.11215	0.8
155.03416	9.7
161.04460	1.7
161.09602	1.2
163.07573	1.9
165.05508	1.0
167.03406	0.8
173.04477	23.7
173.05972	1.3
174.04858	1.1
179.10713	2.9
181.08609	14.3
182.09029	0.9
191.05545	33.1
193.04956	1.9
195.02898	1.1
197.11766	61.2
198.12108	3.8
208.77486	0.7
211.09720	0.9
223.09764	1.4
229.31688	0.7
241.10796	59.7
242.11093	4.6
255.05017	4.0
269.10318	2.3
304.75998	0.7
369.39597	0.8
415.16113	38.6
416.16669	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.5
56.58461	0.6
57.03324	3.9
59.01252	100.0
60.01576	1.3
69.21010	5.3
71.01257	6.8
71.04900	1.8
72.99187	1.3
73.02830	1.4
75.00756	13.6
83.01228	0.6
83.04909	2.4
85.02848	3.4
85.13478	0.6
87.00755	6.9
89.02325	3.5
93.03365	1.7
98.20565	1.5
99.00774	1.3
101.02309	3.3
108.02035	0.8
109.02850	0.8
111.00738	1.0
111.04491	0.6
113.02315	1.1
118.20998	0.6
119.03365	1.2
121.02852	0.7
121.06527	1.8
123.04409	1.0
129.01819	3.2
134.03673	0.6
137.02388	0.8
145.02890	1.1
147.02910	9.0
147.04179	1.2
148.03226	0.7
149.05991	1.0
151.00359	0.6
161.04604	0.7
161.09650	1.4
161.13326	2.7
163.11191	1.7
165.03964	33.1
166.04250	1.0
173.02345	0.8
175.03929	0.9
177.01878	1.0
187.11330	1.2
195.04633	0.8
207.10255	3.0
211.07571	0.9
223.13353	59.5
224.13745	4.6
252.04333	1.3
267.06662	3.0
267.12387	42.2
268.12622	4.8
283.13467	1.3
295.05966	3.3
303.56207	0.8
325.06622	0.8
385.01886	0.7
415.10532	3.1
415.15869	17.8
416.11099	0.9
416.16614	2.6
432.45663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1398
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
59.01253	8.2
60.01587	0.7
61.98683	0.7
62.01889	0.7
65.00188	1.8
71.01237	1.7
71.54305	0.7
79.01779	2.0
83.01266	2.7
87.00745	1.1
90.69178	0.8
93.03309	1.3
97.02823	1.3
108.02077	1.3
109.02838	2.3
121.02831	2.5
122.03649	0.8
123.00784	1.3
125.05998	1.3
125.09609	2.0
135.00816	1.2
136.01570	3.1
137.02348	36.2
138.03185	5.3
139.03920	4.9
145.02870	1.0
147.04445	1.3
147.08118	0.8
149.02356	2.3
149.05997	1.7
150.03140	2.2
151.03880	1.8
161.02383	0.8
163.00313	4.0
164.01054	3.2
164.04688	1.1
165.01837	7.7
165.05470	1.4
167.07036	0.7
171.10194	1.4
173.05974	1.2
175.03900	1.1
176.01094	1.6
177.01846	5.3
178.02611	1.9
178.04031	0.8
179.03348	1.3
187.03984	1.1
190.06281	1.2
191.03476	5.7
191.07042	1.4
192.04143	1.2
199.03941	0.9
201.05547	1.2
201.09122	1.0
205.04922	0.8
209.08124	0.9
211.07561	0.8
213.56117	0.7
217.04988	1.4
225.57991	0.8
229.05148	0.8
229.08640	3.6
243.06567	1.0
245.04700	0.8
247.06110	1.2
256.03699	0.9
260.06906	1.3
261.07584	1.0
271.05991	1.2
274.08499	0.9
276.38449	0.7
283.06070	0.8
287.05667	1.0
297.04227	1.0
299.01950	1.8
299.05261	1.1
300.02863	0.9
301.07245	0.9
314.04520	2.7
315.05103	9.1
316.05450	1.3
327.16034	1.0
329.06668	8.9
330.07306	6.3
343.08160	1.1
345.09833	2.6
371.14383	0.8
385.09195	1.4
397.13257	1.4
400.11777	1.4
415.13989	100.0
416.14334	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	10.5
57.03329	3.2
59.01252	100.0
68.45824	1.8
69.47819	12.9
71.01249	6.6
71.04874	2.3
75.00745	36.5
87.00740	3.8
89.02299	2.8
98.19853	4.3
100.13189	1.9
101.02319	4.2
115.44620	1.9
115.73485	2.0
116.47156	1.8
129.01801	10.1
147.02890	7.3
147.04408	2.1
165.03957	74.9
165.79533	2.3
186.92839	2.4
207.10110	2.7
223.13368	49.1
224.13757	5.0
267.12344	23.6
415.16080	42.5
416.16394	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06985	0.7
54.67811	0.7
55.01761	6.1
57.03317	1.1
58.00466	0.8
59.01252	35.7
64.34976	1.0
69.44301	4.6
69.44724	1.7
71.01253	4.1
72.99194	0.9
75.00745	32.6
85.02826	1.2
87.00768	2.3
89.02335	2.8
94.79305	0.8
98.20583	1.5
101.02349	2.2
113.02355	0.9
114.09817	0.9
119.03421	0.8
129.01813	8.1
147.02911	6.7
147.04376	1.9
161.13298	0.9
165.03961	100.0
166.04303	2.4
204.42972	1.1
223.13348	33.2
224.13763	2.1
267.12393	8.5
313.03256	1.0
415.15768	13.0
416.16382	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	415.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	30.6
66.09866	2.5
71.01261	20.1
71.10346	6.4
72.99178	34.5
73.02814	5.8
75.00747	97.6
85.02818	4.9
87.00749	15.2
89.02328	31.3
99.00763	7.3
101.02318	15.3
103.00251	100.0
104.00553	3.3
104.03418	3.8
113.02339	7.4
118.80780	2.2
119.03386	4.3
119.04881	2.9
122.03660	3.8
123.04383	4.5
125.02368	3.5
129.02618	2.9
131.03403	3.4
134.03638	2.7
147.04414	10.4
149.04448	11.4
149.05978	2.4
150.54048	2.7
161.04488	4.5
165.05519	14.1
173.04408	3.8
181.04991	3.2
181.68594	2.6
191.05600	4.0
193.07162	2.6
283.10275	4.5
415.14349	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.88577	23.0
70.06463	6.2
76.57792	5.9
81.87630	6.1
83.29306	6.8
98.19801	10.8
164.47615	6.6
173.51120	7.7
242.22552	7.2
266.43140	6.9
365.55963	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53439	1.3
54.14829	1.3
59.01251	100.0
77.41904	1.4
122.48805	1.3
152.16087	1.3
261.21439	1.4
289.87372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	30.6
66.09866	2.5
71.01261	20.1
71.10346	6.4
72.99178	34.5
73.02814	5.8
75.00747	97.6
85.02818	4.9
87.00749	15.2
89.02328	31.3
99.00763	7.3
101.02318	15.3
103.00251	100.0
104.00553	3.3
104.03418	3.8
113.02339	7.4
118.80780	2.2
119.03386	4.3
119.04881	2.9
122.03660	3.8
123.04383	4.5
125.02368	3.5
129.02618	2.9
131.03403	3.4
134.03638	2.7
147.04414	10.4
149.04448	11.4
149.05978	2.4
150.54048	2.7
161.04488	4.5
165.05519	14.1
173.04408	3.8
181.04991	3.2
181.68594	2.6
191.05600	4.0
193.07162	2.6
283.10275	4.5
415.14349	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	413.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	26.2
69.03340	4.5
71.01266	4.8
72.16042	2.4
73.02801	5.8
85.02815	8.2
86.31279	2.4
87.00760	6.3
89.02278	3.0
93.03339	36.2
95.04896	35.0
97.06472	38.4
105.07005	9.5
106.04190	2.6
107.04951	4.6
108.02101	2.4
109.02840	3.2
113.02318	7.1
117.06992	14.9
119.04887	4.5
121.02814	3.3
122.03671	3.1
123.08060	65.8
124.08451	3.7
125.09624	7.9
133.06520	6.5
135.04413	6.5
135.08060	43.4
137.02312	18.6
139.03896	7.6
146.03647	25.9
147.04425	46.0
148.05194	22.4
149.05981	11.7
149.09618	4.1
151.07571	3.2
157.44989	3.1
158.03673	2.9
159.04427	61.0
160.05238	15.0
161.05980	10.0
163.03860	3.7
163.07576	3.8
164.04584	3.0
172.05234	24.6
173.04594	2.3
173.05986	55.6
174.06723	11.1
175.04030	4.3
175.07559	58.0
177.12758	6.3
183.04451	4.8
184.05014	3.1
185.06032	18.0
185.09662	2.8
186.06750	14.3
187.07573	45.1
188.08191	6.0
189.09145	65.1
190.09608	6.9
191.03505	5.8
191.10669	9.6
192.04195	25.6
193.04852	3.4
196.05206	4.7
197.05986	10.2
198.06740	6.7
199.07565	29.0
200.04706	2.8
200.08281	11.8
201.09152	49.6
202.09528	3.1
203.14253	2.9
204.04164	3.1
207.02965	2.9
209.05991	5.1
210.06490	2.8
211.07622	8.0
213.09134	18.4
214.09866	3.9
215.10745	19.5
216.11186	2.7
221.15381	5.1
223.07520	2.6
224.04944	4.1
225.09085	15.9
227.07169	4.2
227.10741	43.9
228.07813	3.4
229.12260	14.8
232.07327	7.0
233.08138	6.2
234.08881	3.7
236.03191	5.9
237.05531	3.9
237.09088	5.1
239.06940	3.2
239.10710	2.8
243.06480	4.2
245.08157	7.4
253.08588	13.6
253.12434	3.9
254.09221	2.7
255.10156	4.3
255.13795	3.1
256.10867	3.0
265.14471	6.2
267.10306	7.9
267.13672	4.3
269.11743	3.2
271.09787	8.3
273.11356	24.4
277.12421	3.3
281.11737	3.4
281.15262	3.2
283.13312	4.3
284.14041	6.9
295.13382	10.6
296.14185	10.2
297.14316	3.5
297.18585	4.4
307.17050	17.0
309.14896	5.8
325.18082	100.0
325.21945	5.2
326.18372	15.0
341.17816	2.7
351.16321	3.1
369.12637	4.2
369.17038	47.6
370.17114	3.4
413.16138	58.8
413.21509	2.8
414.16324	6.1
437.22824	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	413.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93054	0.6
53.86557	0.6
54.23143	0.6
57.03340	0.7
58.35036	0.6
59.01255	4.9
67.75043	0.7
68.99687	1.2
71.01255	0.8
71.04890	1.1
73.34979	0.6
78.22290	0.7
79.05408	1.2
85.02781	0.8
91.05414	6.0
93.03352	3.7
95.04915	3.9
96.95931	1.0
97.06480	2.1
98.20544	2.5
98.78341	0.6
101.03841	0.7
103.05399	4.1
105.03347	7.3
107.04903	2.3
108.02058	2.5
109.02801	0.7
109.06482	1.3
119.04914	8.2
121.02843	15.2
121.06474	0.9
122.03696	4.4
123.04411	10.8
123.08052	1.1
124.01510	1.0
125.02324	0.9
129.03345	2.0
130.04120	1.1
135.08073	1.3
137.02350	10.4
139.03909	3.5
146.03610	1.6
147.04425	100.0
148.05220	44.4
149.02400	1.1
149.05995	44.0
150.06381	2.0
159.11713	4.3
176.04663	1.6
177.05455	6.0
177.12772	40.6
178.05820	0.8
178.13126	2.6
191.03433	36.4
192.04210	27.3
193.04980	16.6
194.05278	0.9
201.09258	0.8
227.10733	2.0
300.81381	0.7
307.17151	1.4
325.18173	0.7
351.15906	0.7
369.17090	28.1
370.17316	4.0
413.16422	19.7
414.16626	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	413.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09956	2.2
50.92064	2.3
52.70094	2.0
55.45583	2.2
59.01244	9.1
63.48783	2.2
65.17558	2.2
65.88858	2.2
71.54628	4.7
72.91708	2.6
85.02830	3.1
93.03320	3.4
95.04906	5.2
97.06471	37.3
98.06831	2.1
109.02859	3.7
121.02818	3.6
121.06452	2.3
122.03642	3.7
123.08054	60.5
125.09639	3.0
133.02866	2.6
135.04445	3.9
135.08037	3.7
137.02353	35.1
139.03899	13.9
146.03604	11.5
147.04424	50.7
148.05211	31.9
149.06020	5.4
149.09570	3.6
159.04430	37.4
160.05139	9.3
161.05962	6.1
163.03954	3.5
163.07489	3.8
172.05226	24.6
173.06017	49.5
174.06613	9.7
175.07574	19.1
175.11179	2.9
177.12836	6.3
183.04459	3.1
185.05974	18.5
186.06760	13.4
187.07581	53.9
188.08093	7.8
189.09158	27.7
191.03418	2.9
192.04231	34.9
196.05309	2.6
197.06013	10.9
198.06660	5.0
199.07587	24.4
200.08266	6.4
201.07397	3.3
201.09155	41.7
203.10625	8.0
207.02859	5.9
209.05887	2.7
211.07610	7.9
212.08356	4.4
213.09189	21.6
214.09821	8.5
215.10683	12.1
219.10188	4.7
223.07530	5.8
224.02983	3.4
224.08377	5.2
225.05551	5.5
225.09114	11.7
226.09938	4.5
227.07158	3.1
227.10718	31.3
228.11284	3.5
231.06732	3.1
232.07317	7.3
233.08104	2.9
236.03239	12.2
237.09132	5.4
239.10658	6.9
240.11192	3.5
241.08629	14.8
243.10088	4.2
245.08186	7.8
249.09135	3.0
251.10716	7.5
252.11415	3.3
253.08661	3.8
253.12317	15.1
255.10332	3.0
256.10986	4.4
263.10822	3.1
265.12180	3.8
267.13882	14.1
268.10941	3.7
269.15298	2.9
271.09686	4.2
281.12070	5.6
281.15485	8.9
283.13391	2.5
284.14136	9.3
285.14615	2.7
295.13425	11.4
296.14120	10.5
297.18533	4.0
307.17169	13.0
325.18069	100.0
326.18463	11.2
340.12943	2.7
351.15735	4.1
369.12607	3.8
369.17050	50.8
370.17282	8.3
413.16278	33.8
414.16592	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	413.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83838	0.4
59.01251	0.8
68.99682	1.6
69.81411	2.4
71.04913	0.6
79.05409	1.3
91.05416	6.3
93.03339	2.1
95.04907	3.3
101.03844	0.7
103.05416	3.0
105.02702	0.7
105.03343	7.3
107.04923	0.7
108.02052	2.6
119.04912	8.6
121.02850	10.5
122.03678	2.6
123.04443	0.4
129.03358	1.9
133.02855	1.0
133.36066	0.4
135.08044	1.2
137.02357	10.6
139.03903	3.9
145.95808	0.4
146.03613	1.2
147.04420	100.0
148.05222	25.9
148.77882	0.4
149.05991	27.9
150.06313	1.5
159.11678	1.4
163.03908	1.2
164.04706	0.9
175.03905	0.6
176.04730	1.8
177.05518	2.1
177.12767	19.3
178.13113	1.7
191.03429	23.4
192.04201	20.9
192.11609	0.5
193.04988	18.1
194.05319	0.8
207.02788	0.6
209.73871	0.4
369.17010	4.1
370.17569	0.5
410.86951	0.4
413.16016	13.3
414.16153	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	413.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96898	1.0
56.00542	1.0
59.01237	5.4
69.81454	5.3
85.02782	1.3
91.05403	5.9
91.44343	1.1
93.03335	2.9
95.04877	2.4
103.05418	2.2
105.03338	6.7
108.02077	2.3
109.06458	1.6
115.85049	1.3
119.04905	7.5
121.02839	9.8
122.03628	3.1
123.04391	2.7
128.79089	1.1
129.03320	1.9
133.02817	1.5
137.02353	10.8
139.03909	3.1
147.04422	100.0
148.05214	28.1
149.05991	30.4
154.02702	1.1
159.11743	2.4
163.03896	1.3
176.04747	1.6
177.05493	2.4
177.12773	23.9
186.49461	1.0
191.03409	22.4
192.04195	22.3
193.04971	16.4
200.10345	1.2
204.91748	1.2
206.05927	1.4
207.06494	2.0
212.08035	1.8
215.10539	1.2
224.44229	1.1
227.10606	3.0
351.15948	1.2
369.17093	14.9
370.17371	1.7
413.16345	16.0
437.86938	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	413.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81536	3.0
59.01242	9.6
69.57020	20.9
71.01272	3.5
73.27719	3.4
76.61361	3.1
79.16373	2.9
85.02865	4.3
87.00748	4.4
97.06470	38.0
98.13016	3.0
98.20569	4.0
99.08005	4.3
116.22531	3.2
123.08059	60.4
125.09612	14.7
135.04430	4.6
135.08084	4.4
137.02353	29.1
139.03915	9.8
139.21204	3.4
146.03632	13.7
147.04425	51.0
148.05205	31.1
149.05951	3.9
149.09602	4.2
149.34155	3.4
159.04414	37.5
160.05156	7.4
161.02284	3.8
161.06010	6.0
163.07568	6.0
164.36690	3.4
172.05215	29.5
173.06003	45.0
174.06596	7.7
175.07565	22.1
177.12769	9.7
184.05067	4.2
185.06041	20.8
186.06749	20.1
187.07593	50.8
188.08224	9.8
189.09116	24.0
191.03378	5.9
192.04243	34.7
196.05196	4.2
197.05951	10.4
198.06810	7.6
199.07622	27.0
200.08276	10.2
201.09187	47.7
202.09805	4.1
211.07579	8.5
212.08220	4.0
213.09084	22.5
214.09868	6.6
215.10718	20.9
216.11131	4.1
217.04990	4.5
223.07634	4.6
224.04820	5.6
225.05508	7.3
225.09094	17.0
227.10782	40.5
228.03633	5.5
229.04153	3.9
232.07396	9.1
236.03278	6.7
237.05530	3.4
239.07086	5.5
239.10695	6.4
243.02878	6.0
243.06664	4.2
244.03195	9.6
245.03462	11.2
245.08113	9.6
253.08841	15.6
253.12198	3.8
255.10075	5.3
267.10263	10.4
267.13889	8.0
269.15250	5.1
271.02484	7.6
271.09769	15.2
272.02829	10.5
273.03070	23.4
279.13641	3.9
284.14221	12.2
287.04678	3.8
295.13400	10.1
296.14172	15.8
297.18649	6.1
299.01926	12.1
300.02386	16.8
301.02542	42.8
307.17020	9.8
314.04178	9.4
315.04602	26.9
316.04886	57.0
325.18106	100.0
326.18436	13.8
351.15817	4.0
369.16995	42.0
370.17340	7.3
413.11389	9.9
413.16052	42.5
414.16461	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	413.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.6
66.70239	2.2
78.95772	2.9
80.23377	2.2
85.02819	3.6
87.00786	3.5
90.15881	3.2
93.03330	3.5
93.06950	3.1
97.06462	31.2
98.20617	6.7
98.62701	2.2
109.02841	3.4
115.49636	2.7
119.04896	2.7
119.08543	3.3
121.02843	6.3
121.06512	3.9
122.03635	5.6
123.08038	51.2
123.34999	2.2
123.79550	2.4
124.01492	2.6
124.32552	2.6
125.09631	2.8
125.47945	2.2
135.04416	3.8
135.08006	3.0
137.02342	40.9
139.03934	15.1
145.06569	2.7
146.03603	10.1
147.04417	64.6
147.05585	4.3
148.05225	30.5
149.05884	5.8
149.09648	4.8
149.33195	2.5
159.04402	35.5
160.05153	7.6
161.05986	5.9
163.03880	4.3
163.07542	3.6
164.04680	3.5
172.05200	25.7
173.06004	50.2
173.09601	3.3
174.06616	7.2
175.07565	28.1
177.12810	7.0
185.06009	14.6
186.06810	14.8
187.07571	50.3
188.08136	5.7
189.09100	24.3
191.03447	3.8
191.10645	5.7
192.04193	45.7
196.05171	2.9
197.06012	7.5
198.06789	3.9
199.07585	26.7
200.08252	9.5
201.09128	42.2
202.09468	4.2
203.10666	6.1
204.04172	3.3
207.02827	6.4
209.06001	3.7
211.07550	7.9
212.08389	5.2
213.09169	19.7
214.09834	5.6
215.07196	3.0
215.10722	11.5
223.07655	4.4
224.08368	5.3
225.09117	9.7
226.09789	3.9
227.10689	29.6
231.06380	3.1
231.45985	2.7
232.07336	4.9
234.09015	2.5
235.09634	5.1
236.03275	14.2
237.09132	3.6
239.06950	3.9
239.10689	3.7
241.08701	3.8
245.08263	3.7
251.10757	8.8
252.11609	3.3
253.08646	5.0
253.12303	14.2
255.10059	3.0
256.10916	4.4
267.10565	3.4
267.13910	10.6
268.14612	2.8
269.11789	3.7
269.15405	3.3
271.09744	7.8
277.12405	3.0
281.11954	5.6
281.15469	10.4
283.13489	3.0
284.14212	9.0
295.13403	8.8
296.14032	8.2
297.14600	2.5
307.17038	9.4
309.14993	3.7
325.18069	100.0
325.21967	5.8
326.18427	14.9
369.17047	49.7
370.17316	5.6
413.11459	4.2
413.16116	38.7
414.16324	5.4
436.24469	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	413.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.1
59.01237	9.4
61.96206	1.6
70.02348	6.4
85.02821	5.3
87.00770	6.5
92.69242	1.5
93.03355	4.2
95.04921	2.8
96.25766	1.7
97.06470	14.1
99.17735	1.8
101.02341	3.0
102.94357	1.5
105.06973	2.0
109.02849	2.5
110.65967	1.7
117.07015	2.4
119.05045	1.7
123.04377	3.7
123.08062	28.4
125.09646	7.9
130.04158	1.6
135.08066	4.7
137.02354	10.9
137.09583	2.3
139.03893	3.3
145.02856	2.3
146.03619	5.8
147.04448	25.9
148.05208	11.0
149.05994	9.5
158.03569	1.9
159.04446	17.4
160.05174	5.3
161.05887	2.4
163.07463	3.0
172.05211	19.6
173.06004	21.1
174.06737	2.9
175.07555	7.7
177.12741	4.7
183.04453	2.9
184.05191	2.0
185.06004	14.6
186.06691	9.4
187.03981	3.5
187.07608	24.9
188.08226	3.0
189.05397	1.8
189.09171	14.8
191.10648	3.8
192.04272	12.1
193.04921	5.5
196.05212	5.4
197.06052	8.8
198.03178	1.8
198.06879	4.6
199.07584	29.1
200.04742	10.0
200.08304	9.6
201.05373	3.3
201.09158	33.2
202.09531	2.6
204.04199	2.8
207.02887	1.9
209.06041	7.7
210.06691	4.1
211.07597	7.2
212.04665	2.4
212.08282	3.0
213.05524	22.7
213.09085	8.7
214.06108	2.6
214.09834	2.7
215.07092	100.0
215.10524	5.2
216.07533	5.8
223.07532	7.0
224.04793	4.0
224.08401	2.7
225.05437	7.3
225.09129	13.7
226.09750	3.4
227.07138	12.8
227.10672	15.9
228.07784	3.1
229.08516	2.5
232.03693	2.0
232.07291	4.1
235.07625	3.3
236.03032	2.1
237.05560	2.9
237.09096	5.0
238.06343	2.1
239.07036	6.4
239.10658	4.0
240.07744	2.8
241.08664	3.9
242.09392	5.6
243.06578	2.3
243.10150	2.1
244.07341	2.5
245.08141	3.1
249.09238	5.4
253.08658	12.3
253.12346	4.0
254.09326	2.9
255.10167	3.9
255.13849	5.9
257.08279	2.0
263.10788	2.9
267.10266	5.4
267.13858	13.3
268.11047	2.3
268.14084	2.1
269.11789	3.5
271.09628	3.8
272.02313	4.1
277.12222	2.6
278.12988	5.2
281.11777	5.3
281.15475	5.8
283.13382	13.0
284.14218	21.6
285.14658	2.7
287.04547	2.3
292.14764	2.3
295.13257	7.4
295.16553	2.4
296.14200	9.1
297.18549	6.1
305.15399	2.0
307.17023	32.5
308.17468	3.8
309.15158	2.6
315.04123	5.8
325.18045	71.2
326.18454	10.2
341.17606	2.8
351.15994	2.1
369.17038	26.2
370.17508	3.9
398.09280	2.4
400.62741	2.0
413.11435	17.5
413.16119	30.8
414.16385	2.9
439.10077	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	2.8
100.39346	1.6
214.34653	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	413.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47188	0.9
55.01472	0.7
55.01745	1.2
59.01258	8.7
61.98709	1.0
69.03352	1.3
70.71616	1.9
70.71922	0.9
71.01257	4.4
72.99178	1.1
75.00747	14.5
75.03126	0.7
76.01097	0.8
79.05356	0.9
85.02853	2.0
87.00756	6.1
89.02345	1.9
93.03355	1.6
99.00751	1.8
101.02328	2.3
108.02058	74.0
109.02853	51.4
109.03617	1.8
110.03167	1.7
111.00751	1.3
113.02344	1.7
117.03323	1.2
119.03407	1.2
119.04919	1.5
121.02870	1.3
123.00748	0.9
123.04413	66.5
124.04738	3.0
131.04915	2.9
133.02905	1.1
133.06500	1.1
133.64746	0.8
134.03668	4.6
136.01595	1.5
137.02348	1.7
140.56264	0.8
145.02864	6.8
146.03671	4.0
147.04424	6.0
149.06029	2.3
151.00108	0.8
151.03888	5.4
153.05499	1.7
157.06415	1.0
158.03651	11.0
159.04430	89.3
160.01630	6.5
160.04993	6.5
161.02371	5.6
167.03452	1.1
171.04492	0.9
172.05212	16.5
173.04474	2.1
173.05989	19.9
174.06374	1.4
175.03922	10.4
175.07571	7.9
177.05501	1.2
179.03455	1.9
183.04492	1.1
187.03912	0.9
190.02676	1.1
191.03621	0.8
191.05563	4.8
193.04997	4.7
197.06082	1.4
199.03862	1.8
200.04733	2.7
201.05522	12.2
202.05995	1.0
203.03473	2.3
209.08060	1.7
217.04993	2.4
219.03055	1.1
219.06677	4.5
225.05496	2.7
227.03575	2.0
228.04254	1.6
233.08128	6.2
237.06117	19.5
238.06380	2.3
239.03410	1.1
239.07170	3.2
240.04272	1.8
240.07869	1.1
241.04987	3.0
245.04553	3.3
248.67752	0.9
249.05536	2.6
250.06258	1.8
251.07074	1.5
252.04300	1.0
253.05089	4.4
254.05780	2.1
265.05026	1.3
265.08713	1.9
266.05780	4.3
267.06641	20.5
268.07242	4.5
269.08179	2.9
277.04947	2.6
280.03802	1.3
281.04660	3.0
281.08182	23.0
282.08914	8.3
283.09775	21.6
284.07019	1.1
284.10095	2.3
292.07425	3.8
293.04663	1.4
293.08035	2.1
295.06165	6.3
297.11325	88.6
298.11652	8.7
308.06970	1.9
309.07886	1.6
310.08456	2.4
321.04156	1.1
325.10754	17.9
326.11017	2.0
327.08759	24.3
328.09033	2.2
336.06403	9.6
337.06924	2.7
351.08618	6.5
369.09805	100.0
370.10181	10.3
413.08597	19.3
414.09723	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74443	0.7
57.03323	2.4
58.00465	0.9
59.01247	12.2
67.01763	0.9
68.99668	1.4
71.01256	17.0
71.39415	1.1
72.99174	3.5
75.00750	15.3
85.02819	18.5
87.00743	5.6
89.02323	5.4
91.03912	0.7
93.03329	1.0
95.01276	3.6
99.00755	8.3
103.00229	1.5
112.01533	1.3
113.01522	1.6
113.02328	27.2
114.02685	0.8
115.00267	1.5
117.01810	2.5
117.03370	2.8
119.04916	31.3
120.05266	1.0
127.11741	0.8
129.01801	1.8
145.02853	17.6
146.03157	1.4
157.01315	0.9
163.02536	1.7
163.03909	34.7
164.04190	2.0
175.02446	1.3
207.04997	0.9
222.23347	0.8
231.04980	0.9
237.07776	3.7
249.06165	19.5
250.06442	1.1
267.07202	100.0
268.07501	5.8
351.10941	1.1
413.10889	45.6
414.11304	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03319	1.3
58.91796	0.3
59.01249	9.1
67.01743	0.5
68.99686	0.7
69.03310	0.5
70.13387	0.4
70.83157	0.5
70.83480	0.5
71.01253	11.8
72.99179	2.7
73.02820	0.9
75.00748	8.0
75.99695	0.3
77.16293	0.4
77.89005	0.3
83.01270	0.5
85.02824	12.9
87.00741	4.8
89.02316	2.9
91.03889	0.8
95.01241	3.4
97.02880	0.4
99.00764	5.5
101.02284	0.4
103.00233	0.9
109.02799	0.4
111.00792	0.5
113.02333	15.9
115.00264	0.9
115.84105	0.4
117.01810	1.6
117.03378	2.5
119.04919	23.6
120.05229	1.3
129.01823	1.2
145.02853	11.9
146.03113	0.6
157.01355	0.5
163.03918	24.8
164.04248	1.2
175.02385	1.8
207.05063	1.1
208.46318	0.4
231.05086	0.9
237.07613	2.8
249.06133	22.3
250.06520	1.2
267.07202	100.0
268.07544	5.6
351.10779	0.9
409.86090	0.4
413.10886	38.0
414.11261	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05065	1.3
59.01246	15.4
61.98713	8.9
70.64629	1.5
71.01254	4.7
71.53842	2.7
72.99180	4.6
75.00747	51.7
82.97758	1.4
86.21320	1.3
89.02322	6.3
91.71341	1.2
99.00751	1.7
117.01839	1.4
117.68616	1.3
135.02887	50.4
145.02853	3.1
146.03670	1.4
171.10182	1.5
195.13869	4.8
197.05913	1.6
221.48494	1.3
223.13356	5.4
241.01427	1.7
242.01877	1.4
269.00851	1.9
269.04822	2.3
269.07950	1.8
270.01715	4.1
271.02390	2.0
275.20132	7.2
281.21814	1.6
285.04001	5.3
293.21237	100.0
294.21524	9.2
312.02774	2.7
313.03482	8.0
314.04449	2.1
342.07410	8.4
411.10645	15.2
412.10962	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	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23111	1.5
59.01258	15.9
61.98703	7.0
69.05064	1.4
70.21804	1.6
71.01246	6.8
72.99169	4.5
75.00749	62.8
87.00723	2.0
89.02321	7.6
98.20592	3.6
99.00747	2.4
117.69589	1.8
121.10120	21.5
135.02890	67.0
145.02806	3.8
146.03612	2.7
153.98956	1.8
171.10184	57.6
172.10469	3.0
185.11789	2.2
230.78624	1.5
231.21118	4.0
235.17114	2.8
275.20148	100.0
276.20551	11.0
293.21228	90.6
294.21503	7.9
296.33771	1.7
304.21619	1.8
313.03644	2.6
314.07965	2.1
321.63086	1.7
321.66696	1.9
342.07349	1.9
411.10843	4.8
412.10934	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01186	1.4
61.98653	0.8
71.01198	0.4
71.53760	0.5
82.08675	0.4
87.87520	0.3
96.61940	0.4
97.90012	0.4
111.00740	0.5
123.57527	0.4
146.03542	1.0
148.01532	0.8
161.02269	0.7
163.00191	0.7
175.03835	0.6
177.01712	0.6
200.00999	0.6
201.01756	0.6
215.03455	0.5
217.04875	0.8
237.05472	0.8
238.09938	0.5
239.07024	0.5
249.05492	0.6
251.07083	1.0
265.05011	1.5
265.08459	0.5
266.09430	0.6
267.06567	0.8
269.04398	0.8
269.07910	0.4
278.09464	0.6
279.06641	2.3
279.09335	0.4
281.04440	1.1
281.08005	0.5
282.08945	1.0
293.04752	0.7
293.08267	0.5
293.21167	0.5
294.08942	2.4
295.06027	1.7
295.09427	0.8
307.06030	1.4
309.03983	2.6
309.07623	1.0
309.11026	0.9
310.08469	3.5
314.07974	0.5
321.03885	0.5
321.07663	1.6
322.08490	0.7
323.05658	5.3
323.09186	0.6
324.06229	1.5
335.09027	0.5
337.03427	2.2
337.06833	2.3
338.07956	6.0
339.08496	1.4
351.05069	3.2
351.08762	1.4
352.05685	1.5
353.10324	11.6
354.10635	1.3
363.08572	0.6
365.06503	1.9
365.10406	1.7
366.07306	6.1
367.07956	1.0
367.11829	2.1
381.09790	64.4
382.10187	10.3
395.11304	5.3
396.07285	0.9
396.12073	10.4
397.12479	1.3
411.14511	100.0
412.14825	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	411.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82897	0.5
53.89672	0.4
56.41068	0.5
57.03283	0.5
59.01247	3.2
61.98694	0.5
68.32163	0.5
71.53084	0.5
75.00746	3.2
82.87840	0.5
89.02307	0.4
99.00764	0.9
111.00803	0.5
112.27552	0.5
118.93769	0.6
119.28365	0.5
121.55259	0.4
135.02855	2.5
135.35593	0.4
140.98259	0.5
145.02826	0.6
145.92621	0.5
161.02347	0.9
164.01109	0.7
167.05006	0.5
177.01845	0.6
183.04443	1.0
195.04459	1.8
196.05183	2.9
197.05984	2.2
198.03271	0.5
198.06631	0.5
209.06039	1.4
210.06776	5.3
211.04105	0.5
211.07587	12.3
212.07925	1.0
213.02139	0.5
215.03362	0.7
216.00545	0.5
217.55328	0.5
218.20279	0.5
223.03873	0.5
224.08328	0.5
225.09157	12.8
226.09471	1.2
233.09764	0.5
235.04106	0.6
236.04752	0.6
239.03441	0.7
240.04219	0.7
241.01427	0.5
241.05005	3.3
241.08847	0.5
242.02084	0.7
242.05800	0.6
243.02896	1.0
249.05530	0.7
251.03500	1.3
253.08549	0.5
255.03058	1.0
265.05096	1.3
266.05762	0.5
267.02985	1.6
268.03979	0.6
269.04587	0.8
269.08243	1.8
270.01730	0.9
270.09012	1.5
275.20154	1.0
277.08823	0.6
278.09491	1.1
279.03040	1.2
279.06580	0.8
281.00925	0.8
281.04419	1.2
283.02542	2.3
284.02777	0.7
285.03940	0.6
293.04666	0.9
293.08130	1.0
293.21198	5.6
294.09027	2.0
295.02490	5.6
295.05914	0.7
296.03021	0.6
297.00430	1.0
299.01996	1.3
307.06006	0.5
309.04077	2.7
309.07458	0.8
310.08493	1.6
311.01846	1.3
311.05289	0.6
312.02771	1.5
313.03616	1.6
314.04279	3.2
314.07941	1.3
321.07660	1.4
322.08307	0.9
323.02045	2.8
323.05652	2.2
323.09088	0.7
325.03723	0.6
326.04391	0.9
337.03555	1.8
337.07126	0.6
338.04327	0.9
338.07919	2.8
341.06668	0.5
349.07272	1.2
350.08124	0.9
351.08749	1.5
353.06531	1.4
353.10324	10.1
354.10617	1.6
363.08804	0.6
365.10458	1.2
366.07291	2.4
367.12173	2.5
379.11844	0.6
381.09787	52.6
382.10114	7.5
395.11417	4.1
396.12103	10.2
397.12485	1.4
411.14523	100.0
412.14877	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	411.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13402	0.7
59.01245	3.8
59.14677	0.7
82.16837	0.8
82.45139	0.6
87.00758	0.8
99.00784	0.7
111.00745	0.7
114.43543	0.7
121.34426	0.6
134.54543	0.7
148.01599	1.7
152.84483	0.7
181.54207	0.8
187.03938	0.9
189.05516	1.0
195.13777	0.9
197.06085	1.3
216.00642	0.8
238.09779	1.0
239.03453	1.4
251.07278	1.0
253.05026	1.5
265.05008	1.0
267.03046	1.1
269.08096	1.6
278.09314	1.2
279.06717	1.4
281.04608	0.8
282.08951	1.6
283.02438	1.2
293.04739	0.9
293.08255	1.1
293.21249	7.8
294.08890	2.4
295.02457	2.4
295.05963	1.7
295.09351	1.1
309.04086	1.3
309.07617	1.7
309.11218	1.4
310.08502	4.3
311.01984	1.1
322.08539	0.9
323.02045	0.9
323.05554	1.7
323.09174	0.9
337.03448	0.9
337.07211	1.8
338.07907	8.4
339.08286	1.1
349.07285	0.9
351.05099	3.0
351.08835	1.1
353.06509	1.9
353.10339	15.8
354.10565	1.6
365.06491	1.6
365.10394	2.0
366.07431	5.0
367.11884	2.5
381.09796	72.1
382.10110	8.8
395.11426	5.5
396.12033	11.2
397.12738	1.0
411.14511	100.0
412.14874	14.1
431.09372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17638	0.5
52.97012	0.4
59.01230	0.6
72.81003	0.4
73.65522	0.4
74.03431	0.4
81.46644	0.4
87.00726	0.7
88.93080	0.4
92.49949	0.4
95.01254	1.0
107.01261	0.6
111.00737	0.9
123.00751	0.8
124.01517	0.9
125.02280	0.5
130.16489	0.5
143.04979	0.5
147.04395	1.0
148.01505	0.7
151.00246	2.3
155.04936	0.8
161.02440	0.7
163.00175	0.9
171.04405	2.5
173.02325	0.8
175.03882	0.8
177.01785	0.8
182.03618	0.4
183.04430	2.0
185.02287	0.5
186.03102	0.5
187.03836	2.1
197.02339	0.6
198.03062	1.7
199.03906	4.5
200.01044	0.6
201.01889	3.2
203.03441	1.2
209.02351	0.5
211.03877	0.8
213.01842	0.5
213.05486	0.5
214.02689	1.2
215.03438	4.8
215.06935	0.6
216.04124	0.5
224.04688	1.5
225.01877	1.1
225.05052	0.6
226.02654	2.2
227.03456	15.9
228.03761	1.0
229.01457	2.6
239.29237	0.5
241.04950	1.0
242.02148	4.8
242.05702	1.1
243.02965	33.0
244.03278	2.2
253.01338	1.4
254.02217	0.7
255.02910	2.0
268.03830	1.3
269.04544	0.7
270.01712	3.9
270.04507	0.6
271.02472	51.7
272.02878	3.2
281.00861	1.4
282.01477	0.6
283.02628	0.6
285.04065	8.3
286.04498	0.9
296.03275	1.0
297.03940	0.5
298.01050	0.7
299.01956	79.3
300.02371	6.4
313.03552	11.3
314.04315	100.0
315.04660	8.3
396.08582	1.9
411.10818	15.1
412.11182	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	411.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16682	0.6
53.96619	0.7
63.36334	0.7
67.80571	0.7
69.38215	0.6
72.14764	0.7
93.86175	0.8
109.02819	0.8
111.00736	0.7
134.89441	0.7
143.04927	1.2
145.02901	1.0
150.52051	0.8
151.00304	1.5
152.15926	0.8
158.03685	1.1
159.04408	0.8
170.03645	2.6
171.04399	2.4
174.03122	1.3
175.03899	0.9
177.01752	0.9
177.58203	0.7
183.04436	2.3
185.02438	0.9
186.03145	2.1
187.03920	3.1
197.02428	0.8
198.03111	3.2
199.03954	4.7
200.41284	0.7
201.01924	3.7
202.02335	0.8
203.03352	1.1
203.07077	3.3
211.03926	1.9
213.01889	1.9
214.02655	3.5
215.03549	4.1
225.01875	1.6
225.09247	1.8
226.02689	5.0
227.03447	13.4
228.03915	0.8
229.01385	3.1
229.04997	0.7
229.14613	0.9
230.02225	1.2
239.03526	1.4
241.01462	0.9
242.02177	23.9
242.04706	1.4
243.02951	19.9
244.03368	1.3
253.01431	3.4
254.02214	1.1
255.02966	8.4
256.03632	1.0
270.01669	20.7
271.02469	53.3
272.02881	4.4
281.00845	4.4
282.01694	1.7
283.02429	7.3
284.02707	1.0
285.04034	33.2
286.04459	4.3
292.71912	0.8
298.01129	1.5
299.01968	100.0
300.02252	7.8
312.02750	17.8
313.03543	81.4
314.04272	42.4
314.07376	0.7
315.04721	3.4
367.07990	1.1
411.10834	74.6
412.11246	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	411.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66353	0.5
59.01251	4.2
61.98705	0.7
69.88153	2.0
71.01262	0.8
75.00745	8.1
75.99767	0.4
76.26796	0.4
89.02331	1.2
97.06467	1.2
98.20481	0.9
99.00744	2.2
117.03324	0.8
121.10160	0.8
135.02885	7.6
145.02844	2.3
146.03622	1.8
147.04417	1.3
169.06496	1.1
171.10231	2.2
177.12738	1.3
183.04422	1.5
193.06635	0.6
195.04488	1.3
196.05219	21.7
197.05991	11.1
197.09641	1.9
198.03188	0.8
198.06271	0.8
201.05417	0.8
202.06129	0.5
205.12103	0.5
207.08182	0.6
209.06042	1.4
209.09521	0.6
210.06805	19.5
211.07581	100.0
212.07932	8.5
213.05490	1.5
214.06017	0.5
215.07224	0.5
223.07591	0.7
224.08401	2.0
225.05547	1.7
225.09152	18.5
226.02628	0.6
226.09689	1.9
227.03461	0.5
241.05034	15.5
241.08646	0.9
242.02168	0.8
242.05463	1.5
243.03030	0.8
269.04642	1.0
269.08212	2.3
270.01712	1.0
270.08957	9.2
271.02515	2.0
271.06400	0.6
271.09476	0.7
275.20163	5.2
285.03976	1.6
293.21225	12.0
294.21585	0.9
299.01959	2.8
302.08096	0.8
313.03622	2.3
314.04272	2.5
314.07974	3.0
367.11765	1.5
367.15762	0.9
381.09735	0.6
384.18390	0.5
411.10040	3.5
411.14993	1.6
412.10782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92215	0.4
70.92561	0.8
81.71033	0.4
86.54825	0.3
91.74165	0.4
92.98733	0.3
158.03638	0.5
161.02400	0.5
164.23518	0.4
170.03671	1.9
173.02448	0.5
174.03038	0.8
176.03830	0.5
182.03703	0.6
183.04660	0.5
185.02379	1.0
186.03194	2.1
187.03943	0.5
197.02371	1.1
198.03156	5.3
199.03619	0.5
200.01051	1.4
201.01855	3.0
202.02567	0.6
210.03300	0.5
211.03891	1.4
213.01857	1.5
214.02599	3.9
215.03151	0.4
225.01903	1.2
225.09152	0.6
226.02658	6.2
227.03366	1.7
229.01369	6.3
230.02145	1.8
239.03516	0.7
241.01369	0.8
241.05077	0.4
242.02182	22.6
243.02647	2.7
253.01344	3.4
254.02213	3.3
255.02950	1.6
256.03345	0.5
269.00900	2.7
270.01703	21.6
271.02322	5.1
274.01181	0.4
281.00931	5.9
282.01605	2.0
283.02454	3.9
285.04056	30.1
286.04495	2.7
297.00336	1.7
298.01251	3.0
299.01895	7.4
300.02374	0.8
313.03543	37.9
314.04053	5.2
323.16623	0.8
326.57346	0.5
364.85681	0.4
396.08469	7.9
397.08850	1.1
411.10849	100.0
412.11194	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	408.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75484	1.8
59.01240	10.9
71.01259	4.9
85.02834	5.9
86.12988	1.8
87.00777	3.6
89.02324	3.1
93.03342	3.3
98.20667	3.2
113.02386	1.9
123.83633	1.7
131.52913	2.2
159.04466	2.0
161.05940	3.7
173.05992	20.9
180.05797	3.4
181.06395	1.9
183.04443	28.8
183.11760	6.0
184.04935	2.3
186.06798	34.4
187.07555	25.2
191.05576	2.3
196.05228	3.5
197.06023	16.0
198.06775	5.8
199.07603	11.9
199.11194	5.2
201.09157	6.1
209.09575	10.3
211.07701	2.3
212.08374	3.4
215.14374	5.8
220.10976	8.7
227.10733	100.0
228.11038	8.7
231.13892	6.8
241.12250	6.0
251.68324	1.9
259.10632	2.7
259.13379	55.5
260.13641	5.7
268.68832	1.9
270.12640	1.9
271.09750	44.6
272.10153	4.6
303.12357	61.2
303.50333	1.8
304.12695	6.7
347.11331	80.9
348.11728	9.8
364.17654	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	411.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47264	0.8
59.01228	0.9
59.21943	1.0
65.39523	0.8
85.01083	0.8
98.19850	2.3
107.46217	0.8
108.69080	0.8
151.00255	1.5
157.02867	0.8
157.64236	0.8
170.03596	2.6
171.04369	2.9
174.02951	1.0
175.03885	1.1
183.04460	2.1
185.02341	1.1
186.03227	2.1
187.03944	2.5
197.02327	0.9
198.03181	6.9
199.03946	5.5
199.50572	1.0
201.01924	5.3
202.02307	0.8
211.03993	2.7
213.01863	2.5
214.02629	6.0
215.03430	3.8
225.01840	1.6
225.09261	2.0
226.02626	5.6
227.03447	12.7
229.01398	6.3
239.03447	2.1
241.01468	0.9
242.02170	31.3
243.02933	18.6
253.01434	4.4
254.02098	3.1
255.02982	8.6
256.03458	2.3
269.00928	1.3
270.01666	33.0
271.02457	53.9
272.02905	4.0
281.00909	5.1
282.01639	2.7
283.02475	8.8
285.04025	47.4
286.04529	4.7
297.00269	1.3
298.01089	2.3
299.01956	91.4
300.02316	8.5
312.02737	14.5
313.03531	97.9
314.04227	37.9
315.04721	3.0
367.08139	1.2
396.08502	3.0
411.10834	100.0
412.11139	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	408.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95794	2.6
59.01262	9.1
69.23300	18.4
71.01248	4.2
85.02816	10.1
86.67976	1.7
87.92934	1.9
116.04939	2.7
118.29873	1.8
128.01022	3.8
129.01869	3.8
158.06053	3.3
161.04427	2.6
161.05943	2.5
165.05455	2.1
172.05229	4.0
173.06013	62.9
174.06409	5.7
182.03983	1.9
183.04459	23.1
183.11732	5.5
184.04930	2.8
186.06818	53.5
187.07568	35.5
188.07997	2.2
196.05258	2.8
197.06038	13.0
198.06812	4.6
199.07576	7.3
199.11209	2.8
201.09213	6.8
209.09688	13.2
210.29971	1.8
212.08316	3.4
215.14313	2.3
215.42307	1.9
220.11006	8.5
220.99333	2.3
225.09232	4.3
227.10738	100.0
228.10962	11.1
259.13373	57.1
260.13776	4.1
268.32318	2.0
271.09778	57.4
272.10123	4.5
288.15930	1.9
303.12399	37.0
304.12869	3.4
315.08694	3.6
347.11353	73.3
347.15536	4.4
348.11609	9.0
362.08679	2.1
364.17480	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.71106	1.0
59.01249	7.1
61.36873	0.9
70.45387	0.9
71.53687	1.2
78.95776	100.0
87.76911	1.0
96.96841	8.2
100.36620	0.8
116.30877	0.9
116.91999	0.8
150.97928	1.3
152.99487	89.6
153.99854	1.9
171.00555	66.9
172.00798	1.1
211.13477	1.1
218.20151	1.1
407.21866	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	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01604	0.9
71.01255	2.0
71.40439	0.8
71.40760	0.5
72.99187	0.5
75.00732	0.6
84.56650	0.4
85.02825	1.1
87.00777	1.2
89.02316	0.6
92.45397	0.6
101.02341	1.1
173.04668	0.9
191.05568	0.9
231.07727	0.7
243.04099	1.1
244.05011	0.6
257.05634	0.9
259.07245	1.4
287.10483	2.3
313.08328	2.5
331.09476	1.9
375.08279	0.6
403.45874	0.6
407.11230	1.5
407.23245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2077
Annotation	Querciformolide A
Peak:m/z	Relative Intensity
57.03325	7.3
58.06865	1.1
59.01254	14.2
62.05361	1.0
66.98601	1.2
69.03333	6.2
70.91022	0.9
71.01241	1.7
71.04922	1.8
74.30851	1.0
83.04906	3.0
85.02851	1.0
87.00758	7.3
93.03342	1.0
97.06449	2.1
101.05975	1.6
107.04910	2.5
109.06470	2.5
120.73308	1.1
123.08041	2.4
130.99754	1.4
135.04453	1.3
138.58003	1.0
147.04443	1.2
174.03183	2.8
175.03914	3.0
175.11205	2.3
177.05478	2.0
177.12852	1.3
177.93439	1.0
189.05463	1.8
189.12794	1.3
191.14386	11.1
203.07039	3.1
205.15941	4.4
207.17543	4.4
217.15857	2.0
219.02931	2.0
243.17505	3.8
247.20695	3.4
248.06949	1.6
249.22258	1.4
257.19104	3.3
259.16873	1.2
259.17935	1.8
259.20667	20.9
260.20840	1.8
261.18649	1.2
275.20114	8.6
277.21710	12.4
278.22144	1.9
303.19666	11.0
319.19250	1.8
321.20706	65.7
322.21109	5.2
327.05124	1.6
347.18698	13.7
361.20715	1.4
363.21780	100.0
364.22150	13.3
365.19592	17.5
366.20166	2.4
407.13577	3.3
407.20795	21.3
408.21075	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	407.2078
Annotation	Querciformolide A
Peak:m/z	Relative Intensity
53.16801	0.8
57.03321	6.7
59.01251	20.6
64.14330	0.6
67.18716	0.7
69.03324	12.4
71.01234	0.9
71.04865	2.6
72.02020	1.6
73.72154	0.7
83.04899	9.3
85.06461	4.8
87.00753	14.7
97.06447	2.0
106.64918	0.8
107.04890	1.5
109.06466	4.3
121.02875	1.1
123.04317	0.8
123.08020	2.4
127.07533	6.0
130.99725	2.6
135.07997	1.0
137.09604	3.1
139.11179	1.4
147.04411	0.9
149.06044	1.0
155.08546	2.5
163.03946	1.2
171.10129	1.6
173.13216	2.3
174.03116	0.9
175.07559	1.2
175.11188	2.2
177.05502	1.2
177.12790	1.2
189.05403	1.4
189.12759	0.8
189.16185	0.8
191.03392	1.3
191.14284	4.1
203.07088	1.1
205.15910	2.3
207.17479	3.8
219.17607	3.7
221.19118	0.8
225.16409	0.9
233.18999	1.2
241.15811	1.4
241.19554	1.8
243.17511	33.8
244.17860	3.1
245.19080	0.9
247.20592	6.5
249.22212	10.9
257.19162	5.1
259.20642	48.1
260.21036	6.7
261.18484	2.1
263.16486	3.2
275.12976	1.1
275.20111	4.6
276.20523	0.8
277.21713	57.1
278.22076	7.4
285.18567	4.2
287.16562	2.6
301.21637	2.8
303.19659	42.4
304.19870	6.1
319.19077	1.6
321.20694	100.0
322.21042	12.4
329.17520	2.7
341.59933	0.7
345.20688	6.2
347.18692	18.4
348.18918	2.6
363.21750	95.9
364.22107	12.9
365.19568	10.8
366.20126	1.6
389.19724	4.4
390.20313	1.4
407.14142	2.7
407.20734	82.0
408.21085	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	407.1347
Annotation	Vilmorinine A
Peak:m/z	Relative Intensity
57.03312	2.0
59.01250	10.0
70.92466	3.1
70.92807	3.0
71.01249	3.0
72.99171	3.3
79.62982	1.8
87.00758	11.6
98.38634	2.1
102.44237	1.7
108.02049	2.1
108.32958	1.8
109.02842	4.4
110.20762	1.9
119.04922	1.8
121.02861	3.4
121.06463	4.9
122.03664	1.9
123.04420	2.3
124.01481	2.2
125.09641	4.5
131.04932	2.6
134.03581	2.3
135.04396	2.1
146.03674	1.6
147.04390	9.5
148.04144	2.6
148.05168	15.2
149.05984	100.0
150.03120	1.8
150.06264	4.5
153.01840	2.2
159.04448	4.0
160.03889	2.2
160.05209	33.7
161.02351	29.2
161.04521	1.8
161.05959	2.3
162.03036	2.0
163.03932	4.2
172.05167	4.2
173.05963	3.9
174.03165	8.5
175.03915	28.3
175.07559	2.2
176.04669	3.1
177.01836	2.4
177.05449	4.6
182.41054	1.9
185.06015	3.6
186.06755	7.0
187.07513	3.0
187.09689	2.3
188.04741	2.6
189.05507	2.8
191.03444	3.1
193.04996	47.9
194.02043	2.6
194.05273	2.9
203.07034	4.3
208.03728	2.3
214.10025	2.1
217.08757	1.7
245.11813	5.2
257.15347	4.6
275.16678	2.4
283.13358	19.8
284.13754	5.1
289.10770	5.1
296.08786	1.8
301.14438	67.3
302.14771	6.6
319.15482	92.3
320.15948	9.1
320.19189	1.8
345.13522	4.6
363.14511	71.0
364.14713	7.4
389.12357	7.3
390.12286	2.3
407.13425	19.9
408.13190	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	405.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62046	0.4
57.03321	0.5
59.01253	100.0
59.13562	0.4
59.33964	0.4
60.01584	1.2
61.98697	1.5
65.26157	0.5
68.13918	0.5
71.01241	0.5
71.54512	0.7
84.50111	0.5
85.02857	0.4
87.00770	2.3
93.75204	0.5
97.06494	0.7
99.00829	0.5
101.02379	0.6
101.51259	0.5
102.70832	0.5
130.99776	0.6
144.25909	0.4
149.06039	0.6
161.02339	0.9
170.54482	0.5
171.49739	0.6
175.07661	0.6
189.01875	0.9
201.09100	0.7
211.13379	1.4
214.87056	0.6
217.01479	0.9
229.01431	0.9
241.01508	0.8
285.00314	3.4
286.21353	0.5
345.30054	2.8
405.06323	3.3
405.13071	0.7
405.66675	0.7
406.06885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
59.01252	100.0
60.01578	0.8
61.98698	2.8
71.54493	0.6
71.54917	0.9
76.21721	0.6
80.45101	0.5
87.00772	2.5
97.06490	0.8
101.02297	0.7
130.99756	1.1
135.04399	0.6
137.02408	0.6
147.04469	1.0
156.00235	0.7
161.04662	0.6
173.05965	0.7
191.03375	0.7
201.09177	1.7
204.03993	0.6
213.18634	1.2
214.10361	0.5
227.10880	0.8
345.30136	8.6
346.30573	1.1
405.26791	2.0
414.72610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04868	0.5
59.01252	100.0
60.01569	0.9
61.98694	2.5
70.83275	0.7
70.83610	1.2
71.01256	1.2
85.02823	0.7
87.00764	2.4
91.92599	0.6
92.20667	0.5
93.41683	0.6
101.02335	1.2
109.02852	0.7
112.95916	0.6
130.99777	0.8
140.24709	0.6
140.49622	0.5
159.04535	1.2
161.02325	1.1
173.06094	0.6
174.35503	0.6
177.81180	0.6
187.07573	0.6
189.01897	1.2
198.02934	0.6
211.13374	1.3
213.01979	0.7
215.06953	0.6
229.01527	0.9
285.00525	3.3
345.29959	2.9
405.06015	3.0
405.67346	1.1
406.06296	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	406.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.3
61.98704	100.0
63.25576	11.9
71.54314	18.2
72.99176	15.1
87.00741	28.8
96.35517	10.6
141.85442	11.0
173.02286	14.6
174.03081	29.3
175.03943	29.3
183.49025	11.5
187.07608	12.4
189.05534	20.9
197.21927	12.2
199.28406	11.7
200.18738	12.6
202.02701	12.8
203.07109	29.2
205.08737	12.5
219.02821	15.6
230.02003	13.1
245.04623	29.4
248.06906	16.6
285.03915	18.6
313.03693	74.1
314.03711	15.4
327.05057	20.9
328.05841	27.7
343.08319	90.8
344.08640	17.3
346.08466	14.6
407.08810	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	406.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95710	5.1
58.76690	4.7
58.92410	5.9
59.01252	47.6
59.82430	5.3
60.65594	5.2
65.99716	41.7
68.01289	9.5
71.01263	27.6
71.52953	7.6
72.99192	28.3
73.02786	6.9
74.37244	5.3
81.03352	8.4
85.02814	18.7
87.00751	61.7
89.02320	7.7
93.03325	13.1
94.02834	6.8
95.01256	8.8
96.00758	9.5
96.42361	5.6
97.06436	7.0
99.00744	10.7
101.02306	9.1
109.02851	13.7
110.02376	12.6
111.00770	12.0
113.02295	5.1
123.04390	10.2
129.01845	12.1
133.06462	7.6
135.04405	8.8
137.02333	11.2
146.03656	5.6
147.04401	22.4
149.05984	19.2
159.04424	23.9
160.03893	6.8
160.05075	7.3
161.05969	13.3
163.03981	10.8
165.05428	7.4
171.10172	21.1
172.05214	16.6
173.04590	5.8
173.05997	15.8
173.09476	6.7
174.03088	13.1
174.06825	9.0
175.03952	17.8
175.07556	16.4
176.04700	10.9
177.05478	10.9
177.09103	7.2
185.06027	10.3
186.03210	6.0
187.03928	10.4
187.07555	25.2
188.04784	12.2
188.08290	6.5
189.05482	7.5
189.09175	28.1
190.02615	5.9
191.03572	5.5
191.05527	17.6
193.04971	10.8
197.06064	8.2
199.07649	11.4
200.04622	7.2
201.01959	33.1
201.05463	13.4
201.09219	26.9
202.02719	8.7
202.06393	9.0
203.03358	6.0
203.07225	9.5
204.04285	6.6
205.08688	8.2
213.01784	8.1
213.05653	5.0
213.09296	11.9
214.02617	7.2
214.06487	6.7
215.03481	7.7
215.07053	22.0
215.08752	5.8
215.10724	22.5
216.06569	7.3
217.08598	18.1
217.12149	5.7
219.06476	6.8
225.09012	6.4
226.06334	5.3
226.08749	7.9
227.10800	13.1
229.01320	9.6
229.08649	12.4
229.12224	7.0
231.06642	10.0
231.10286	7.8
233.08203	13.4
235.09833	7.3
238.08815	8.2
241.01424	6.8
241.04861	7.7
243.10269	15.9
243.52937	5.6
244.07541	5.9
244.09930	5.6
245.04645	4.9
245.07968	8.4
245.11671	8.9
247.04881	8.7
255.10287	17.4
256.09897	9.3
256.13406	12.4
257.00995	6.8
258.01642	22.6
258.07703	6.5
259.02341	7.8
259.09756	14.9
270.11411	11.9
273.11279	21.3
282.11389	29.1
285.00488	20.5
286.08536	7.0
287.01849	12.8
289.03546	8.7
289.10791	9.5
299.09174	10.1
300.12448	36.5
301.03555	30.4
314.10248	11.1
317.06686	10.6
318.13480	9.5
326.10400	19.1
329.02960	21.8
332.11322	16.9
344.11304	15.3
347.07678	18.0
370.09320	10.0
375.07300	30.0
388.10260	20.4
406.11389	61.1
407.09909	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	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21992	1.3
59.01244	8.4
59.01491	1.7
61.98698	6.4
66.91585	1.3
70.02289	6.1
71.01241	2.4
99.97319	1.4
114.60278	1.3
121.94901	1.1
151.07350	1.2
171.27843	1.2
239.16505	3.5
241.18106	2.9
325.25311	3.1
343.26404	5.0
344.26547	1.5
359.26022	2.9
361.27551	3.8
369.24210	2.4
377.26831	1.6
387.25497	9.8
405.26459	100.0
406.26825	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	405.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
59.01252	100.0
60.01585	1.3
61.98706	1.6
66.79195	0.5
69.41257	2.9
69.41671	1.2
71.01244	0.5
75.00790	0.5
78.95750	0.7
87.00779	1.0
93.03336	0.6
96.96852	1.5
97.06528	0.5
98.20552	0.8
121.25461	0.5
201.05568	0.7
222.43532	0.5
225.37790	0.5
245.04744	0.6
343.08148	0.6
345.14032	2.1
345.30106	5.9
346.30563	0.9
419.65903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03391	0.9
54.34195	0.8
57.35104	0.9
59.01244	3.9
59.46781	0.8
61.98705	2.3
62.73914	0.9
69.77100	4.1
79.34480	0.9
83.04909	2.3
85.06465	22.3
93.34557	0.9
111.04408	11.5
129.05475	100.0
130.05791	3.6
154.25941	0.9
192.60239	1.1
223.13490	0.9
231.90056	0.9
267.78864	0.9
275.20123	2.9
293.21234	7.2
294.21387	1.4
346.92114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.9
59.01251	6.7
61.98695	3.1
64.02304	0.8
69.03340	0.8
71.01260	1.1
81.03307	0.7
83.04884	1.5
97.06468	1.2
98.20689	1.1
109.05507	0.8
109.06493	1.3
119.64067	0.8
123.08016	0.9
137.09583	0.8
161.09595	1.0
170.87074	0.9
197.11725	0.8
208.68071	0.8
211.13336	1.5
213.14867	2.9
230.25952	1.2
239.16446	2.2
241.17964	0.9
265.18097	0.8
266.18845	0.7
267.19589	0.9
291.19666	1.5
313.25177	0.9
315.26996	2.5
317.28494	1.1
323.22348	4.4
325.25330	4.6
333.28046	1.4
341.24881	1.8
343.26459	3.8
351.23386	1.1
359.26038	3.3
361.27515	2.9
369.24292	4.0
377.26865	1.5
387.25433	13.5
403.04480	0.9
404.64005	2.0
405.26465	100.0
406.26794	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	405.2283
Annotation	Annoglabasin C
Peak:m/z	Relative Intensity
52.33602	1.3
55.78447	1.3
57.03329	4.8
59.01251	98.4
60.36490	1.2
61.98699	2.9
66.09285	1.3
70.44328	4.3
71.01257	5.2
71.04905	2.0
72.02033	14.2
83.04907	4.9
85.06488	1.7
96.60796	1.5
97.06507	2.1
101.05982	7.5
102.39388	1.4
125.05996	1.7
127.07543	2.5
171.43144	1.3
173.13278	6.0
189.16446	1.6
241.19690	1.5
243.17548	5.1
257.19113	3.6
259.20676	51.2
260.20990	5.7
269.19199	2.3
274.74579	1.2
276.81113	1.5
285.18866	1.5
287.20206	15.7
288.20633	3.8
289.18222	1.7
289.21780	2.7
301.18027	1.4
301.21677	2.6
303.19525	1.6
305.21078	1.6
313.18103	2.4
317.21167	1.9
319.22778	100.0
320.23099	13.2
328.20380	2.8
329.21173	12.1
330.21323	2.0
331.19214	2.5
343.23016	9.6
345.20721	7.5
361.19348	2.5
361.23856	50.1
362.24274	7.8
363.21759	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01754	2.1
56.88773	0.8
57.03331	7.5
58.00462	4.9
59.01254	100.0
71.01256	92.8
71.04877	3.9
72.01600	1.5
72.99186	7.4
73.02809	8.2
74.02346	2.3
75.00759	1.3
83.01283	5.2
83.04882	1.2
84.02029	4.4
85.02822	23.3
86.02369	1.2
87.00728	7.9
89.02319	94.1
91.77666	0.9
95.01260	6.2
95.04938	0.9
97.02844	1.1
97.06444	1.2
99.00764	3.3
99.04406	3.2
99.05543	2.0
101.02325	64.9
101.05957	14.6
102.02682	2.0
102.05466	1.7
102.94634	1.0
104.52551	0.9
109.06465	1.4
111.00734	1.0
113.02334	41.2
114.02572	1.0
117.01707	0.9
118.73399	1.0
119.03391	48.7
120.03800	0.9
123.08056	13.9
124.05145	1.2
125.02320	1.5
125.05956	6.4
128.03430	6.2
131.03419	4.0
133.06798	1.2
138.06708	4.4
139.07556	4.0
141.09116	47.7
142.09473	1.8
143.03397	8.0
143.04535	7.1
149.04471	5.1
149.09634	1.2
151.11194	1.8
153.09117	3.7
161.04463	16.9
161.05731	0.6
163.11110	1.2
167.10692	1.1
173.04500	2.0
175.03990	0.9
179.05598	12.7
181.12288	7.7
185.08159	1.8
191.05566	1.4
195.13824	3.6
205.12256	1.4
207.13834	1.5
210.08800	2.3
223.13290	1.2
225.14890	7.2
241.14557	1.1
243.15997	69.4
244.16312	5.9
254.07858	3.7
261.40240	0.8
272.08899	4.1
306.07678	1.7
375.06186	1.3
405.21356	66.0
406.16544	3.3
406.21732	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	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01760	0.7
57.03320	0.9
58.00465	1.2
59.01254	29.8
69.03329	0.8
71.01256	14.7
71.04894	2.2
72.01625	0.6
72.99180	1.3
73.02834	1.8
77.67601	0.5
81.25750	0.5
81.94119	0.5
83.01259	2.1
85.02824	4.2
87.00756	2.8
89.02319	11.1
93.03323	0.9
95.01262	1.1
97.06453	0.7
98.20592	1.0
99.00798	0.9
101.02332	9.8
113.02345	5.8
119.03394	2.8
119.04890	1.1
121.05675	0.7
123.08028	1.8
149.05986	0.9
150.31540	0.6
159.04385	0.7
163.11201	1.1
166.00854	1.9
173.05927	0.7
174.03149	0.6
179.14304	3.0
180.14662	0.9
193.04941	1.2
194.05359	0.7
197.11752	0.7
200.17378	0.5
215.03481	0.6
223.13361	18.0
224.13652	1.6
229.20575	0.6
241.10814	0.8
241.14412	2.1
242.29839	0.6
283.05975	0.7
302.02505	1.9
317.04800	2.5
403.19717	100.0
404.20041	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	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58283	0.6
54.27135	0.6
57.03326	1.0
59.01251	100.0
60.01589	1.1
61.98694	0.7
64.34748	0.6
66.63065	0.6
69.70264	3.7
69.79252	0.7
71.01254	1.4
73.02827	1.1
98.20535	0.9
99.59180	0.7
101.02332	2.0
121.02825	6.5
133.02879	1.3
137.15582	0.7
146.03624	1.5
147.04396	0.9
159.04427	1.0
169.15697	0.7
172.05316	0.7
173.05998	1.3
185.05984	0.7
186.06760	1.0
187.07610	0.9
199.07692	0.6
201.09224	1.2
214.06596	0.6
215.10710	4.1
224.08408	0.7
225.09230	1.3
225.54997	0.7
239.10797	1.1
259.09644	1.4
263.05728	0.7
285.04095	1.1
313.07367	1.9
327.22107	0.8
341.10873	1.1
357.17075	1.5
358.17783	0.8
401.08881	1.6
401.15494	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	403.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71873	1.9
59.01250	100.0
61.33445	2.1
61.98703	3.2
64.07459	1.9
69.06886	2.2
71.01263	2.3
71.51691	2.1
72.99195	2.3
87.63344	2.2
99.92462	2.6
103.91911	5.3
104.92681	2.1
115.91976	2.6
144.95845	5.7
146.93744	4.4
158.93861	2.4
178.88350	4.0
188.94850	13.7
200.05775	2.4
217.00220	3.4
218.10829	2.1
229.99358	2.1
233.59462	2.1
266.92697	2.2
307.95444	2.1
311.68716	2.2
320.90125	8.2
367.37003	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	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01755	7.7
57.03302	5.6
59.01250	46.4
69.03336	4.1
69.89090	4.3
69.89506	5.9
71.01254	100.0
72.99168	6.7
73.02439	4.0
73.02816	43.6
75.00734	5.8
81.03312	2.7
83.01247	14.1
85.02819	44.6
87.00748	21.3
88.16817	2.0
89.02320	23.0
93.03343	4.8
95.01274	6.3
97.02820	4.8
99.00761	21.4
101.02322	66.2
102.02609	2.3
103.78179	2.1
109.02807	2.2
111.00810	2.3
113.02348	32.1
115.03870	5.1
121.02863	9.8
123.04401	10.5
124.04804	2.1
125.02338	6.8
129.01834	4.1
131.03389	4.7
143.03387	5.8
147.04411	2.7
149.04550	2.5
149.05960	5.6
159.02907	5.5
161.04485	56.5
161.05852	4.1
165.04062	2.5
165.05476	2.1
171.11237	2.1
187.07626	2.4
191.05562	6.2
193.05019	2.9
195.03082	2.6
205.03487	2.7
219.10268	3.2
233.06607	7.4
255.05075	7.0
269.10297	95.8
270.10654	9.7
279.07550	3.3
293.08804	2.8
383.09399	2.6
401.14545	96.3
402.15045	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62789	1.5
57.03320	6.2
59.01261	8.1
59.17217	1.5
59.55137	1.4
66.37103	1.6
69.03313	1.7
71.01242	4.6
71.54417	2.2
73.02828	2.3
78.89206	1.5
83.01265	4.2
85.02826	2.1
87.00757	3.3
89.02335	3.8
97.06474	2.9
101.02318	11.7
113.02319	4.5
121.02844	23.5
125.05992	2.6
133.02841	1.5
137.02338	3.0
139.03940	2.5
146.03639	6.5
147.04407	5.2
149.05995	4.8
159.04424	23.5
160.04974	2.4
161.06023	2.2
171.04431	6.9
172.05205	43.2
173.06009	14.3
174.03189	4.3
174.06750	2.7
175.03893	2.9
175.07571	6.1
185.05995	19.6
186.06763	19.5
187.03946	3.5
187.07565	34.7
188.08093	4.7
189.05441	2.5
191.03406	7.9
196.05275	4.8
197.06010	18.5
198.06554	2.7
199.07581	3.7
200.04732	14.9
200.08350	9.9
201.05414	4.8
201.09149	100.0
202.06186	1.9
202.09483	6.1
203.07135	4.1
204.04166	2.4
205.08710	2.2
209.08115	12.0
211.07539	8.4
213.05547	4.1
214.06288	10.8
215.07111	54.9
215.10657	29.2
216.04257	2.0
216.07510	4.5
216.11510	13.1
218.05814	5.8
223.07732	2.2
225.09146	10.3
226.09908	18.1
227.07085	2.1
227.10585	5.1
229.05180	3.3
229.08664	58.0
230.09111	5.2
231.06612	12.3
232.07249	5.5
241.08717	2.0
242.09438	4.4
243.10231	34.1
244.07379	3.6
244.10927	20.8
245.08163	68.9
246.08549	6.2
259.06061	3.0
259.09781	6.4
260.10345	2.0
270.09058	3.1
285.18716	2.8
286.04889	1.9
288.10095	8.1
295.17010	5.0
313.07071	7.5
313.17932	7.5
315.15738	2.3
329.17307	3.7
332.09015	6.4
339.15878	2.5
357.06274	3.4
357.16922	11.7
383.15295	2.2
401.08588	2.3
401.15973	14.0
401.29166	2.4
402.16498	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	401.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.4
66.99619	1.4
71.01254	7.7
71.53258	2.0
71.53660	1.5
83.04884	1.7
85.02836	2.1
87.00234	2.2
87.00752	35.7
87.52846	1.6
93.03325	4.0
95.04913	1.6
97.06474	1.5
99.00749	2.4
101.02332	2.5
104.00471	1.6
105.03311	1.6
107.04868	3.9
109.02838	2.7
111.00748	3.2
117.03354	1.9
119.04916	20.3
121.02799	5.9
122.03632	3.2
123.00742	4.0
123.04380	3.5
124.01565	2.3
125.02339	2.8
128.01025	6.7
130.99754	9.3
133.06430	3.0
135.04362	4.8
135.72250	1.3
137.02373	8.4
138.03050	4.3
145.02849	2.8
146.03595	5.4
147.04430	53.8
148.05206	39.7
149.05928	2.8
150.03101	3.0
151.00313	2.2
151.03946	8.3
153.01776	4.4
153.05446	5.5
154.02579	2.0
159.04402	5.9
160.05182	3.4
161.02345	3.2
161.04507	1.8
161.06000	9.9
162.03152	7.8
162.06700	5.8
163.03932	10.6
163.07440	3.2
164.04599	2.3
165.01817	3.8
165.05458	1.8
172.05243	8.5
173.05951	5.2
174.03177	3.2
174.06720	5.3
175.03896	4.8
175.07361	1.8
176.04691	12.8
179.03340	8.2
180.04219	11.4
181.04892	2.3
185.05988	14.0
186.06763	8.9
187.03888	2.5
187.07523	6.4
188.04633	3.6
188.08220	2.2
189.01880	2.1
189.05380	5.4
190.02678	1.5
190.06198	5.8
191.03441	89.3
191.07060	100.0
192.04089	14.3
192.07391	7.9
193.04970	3.4
194.05780	11.5
195.06361	1.8
196.03598	2.8
196.05243	34.7
197.05823	5.0
198.06850	3.6
199.03885	4.7
199.07623	7.6
200.04639	3.6
200.08339	5.3
201.05396	3.4
201.09015	1.5
203.06993	2.0
205.01309	3.7
206.05789	20.3
207.02847	3.2
209.05992	3.1
210.06709	3.0
211.07567	3.4
213.05540	9.0
213.09039	5.1
214.02579	5.0
214.06294	15.4
215.10687	4.8
216.07790	7.4
220.03731	16.7
221.04062	2.0
223.07561	6.6
224.03191	15.4
224.08194	1.7
225.05605	1.9
225.09122	3.1
226.09822	2.6
227.07062	3.4
227.12764	2.3
233.04591	8.3
234.05209	6.0
235.06087	36.8
236.06491	2.1
237.05553	2.9
238.04721	32.7
239.05005	2.8
240.11497	2.4
241.08549	2.4
241.12273	2.2
242.09479	1.7
247.06140	2.7
265.04996	5.1
266.05737	3.0
269.15475	3.9
279.06448	2.1
282.05170	4.2
283.05969	5.9
294.05359	2.3
295.13409	9.5
295.16531	2.6
297.07523	6.9
298.08243	4.1
309.07654	5.1
311.12659	5.6
311.16431	6.1
313.10757	5.8
313.14429	5.7
314.11340	2.4
321.14926	28.2
322.15350	2.8
324.09900	2.3
329.13898	6.8
329.17511	2.9
337.07089	7.4
338.07913	3.6
339.08688	5.9
339.12408	7.5
339.15979	78.6
340.16254	9.7
341.06519	4.4
342.07428	4.4
351.11020	10.3
352.09464	3.7
353.06628	12.8
353.10339	2.9
354.07010	2.2
356.08865	3.1
357.09598	9.0
357.13278	24.2
357.17023	58.1
358.13641	4.6
358.17389	5.1
368.09067	10.3
371.11356	13.1
383.11258	22.0
383.15582	2.9
384.11392	2.4
401.12198	88.5
402.12524	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	401.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78236	0.9
59.01253	6.1
69.03321	1.3
69.37823	0.7
71.01256	5.4
71.53752	1.1
72.99168	1.4
73.02825	1.5
81.53519	0.7
85.02834	3.0
87.00760	28.2
87.94798	0.7
89.02332	1.9
92.42480	0.7
93.03345	3.2
95.04913	0.7
97.02833	0.9
97.06466	1.6
99.00750	1.5
101.02337	3.0
107.04932	0.9
107.57103	0.7
108.02051	1.4
109.02857	2.4
111.00752	1.7
113.02351	1.6
119.04926	100.0
120.05286	4.6
120.06000	0.9
121.02837	3.6
121.06483	1.6
122.03695	1.3
123.04407	2.5
124.01579	1.0
124.49517	0.7
125.23206	0.7
128.01068	0.8
129.01837	0.8
129.03363	2.6
130.04092	0.9
130.99791	4.6
131.04929	1.0
134.03575	1.0
135.04434	1.9
137.02379	7.4
139.03923	1.9
145.02858	1.6
146.03651	2.3
147.04434	36.3
148.05222	9.5
149.05997	73.1
150.06308	5.0
159.04376	1.0
161.02333	0.9
161.04489	1.5
163.03934	44.3
163.07556	1.4
164.04326	2.1
173.04463	1.9
173.05916	0.9
174.03201	2.2
175.03932	27.7
175.07607	1.8
176.04335	1.3
187.07602	1.8
188.04723	1.0
189.05544	2.2
189.09152	0.9
190.06285	7.2
191.05536	1.9
192.04222	3.0
193.05014	43.9
194.05377	2.7
201.09160	1.9
207.02939	1.0
215.07249	1.3
217.08713	1.3
218.02077	1.2
219.02957	59.4
219.10217	7.1
220.03288	3.2
227.10760	1.0
229.08673	1.3
232.07295	1.0
237.04024	2.3
241.14447	3.5
245.08176	0.8
261.11496	0.9
300.01050	1.5
312.57532	1.0
315.03201	1.0
335.82999	0.7
351.10928	2.2
357.09686	5.9
368.11041	2.2
383.07755	27.0
383.13446	6.4
384.08109	3.2
401.08850	11.9
401.14227	2.9
401.18311	2.6
402.08746	2.2
407.08752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29585	1.6
65.99725	8.7
69.03316	2.0
69.64033	11.6
69.64360	2.1
70.07719	1.7
79.01762	1.8
95.01257	22.4
96.04190	1.7
98.19890	3.1
107.01266	20.3
109.02833	5.6
110.48453	2.0
110.54527	1.7
123.00759	10.9
124.00322	2.3
124.01550	11.6
125.02343	30.8
137.02359	15.8
151.00278	72.0
152.00664	1.9
153.01869	21.1
157.01648	2.6
160.15392	2.2
164.03459	23.1
165.01779	2.5
165.74864	1.8
169.01352	3.0
170.02376	2.4
177.01872	17.5
180.62384	2.0
185.01053	2.1
186.01869	18.3
186.03345	2.3
200.03421	10.6
201.01935	2.7
201.04245	6.1
202.04967	2.1
205.89276	1.9
211.03983	3.7
216.06660	5.9
225.01801	3.3
226.02676	4.4
227.03491	2.5
230.08148	4.1
239.03462	2.8
240.04080	2.8
241.01393	2.4
242.02240	8.7
243.02885	2.5
253.01442	2.8
254.02214	3.0
255.02826	2.5
257.04562	2.2
265.03952	2.0
266.01834	2.2
267.02982	3.3
269.00980	3.7
270.01700	11.7
270.04330	2.2
271.02417	4.9
277.03818	4.5
283.02454	3.7
284.03116	2.7
285.04041	12.9
287.02005	2.8
292.02496	2.1
293.03320	2.6
297.00516	2.4
297.03741	2.7
298.01007	2.6
299.02014	4.8
299.05579	3.4
300.06436	2.3
305.03293	21.8
306.03937	2.6
308.05573	3.9
309.03909	2.2
310.03714	5.9
312.02600	4.8
313.03571	37.6
314.03973	5.0
314.07693	3.9
315.01208	2.2
315.08725	9.7
320.02042	2.3
320.05624	3.7
321.02841	5.2
322.03500	3.5
327.05045	5.4
328.05856	35.3
329.06546	7.3
332.09030	7.6
336.05078	22.8
337.05762	5.8
338.03171	10.9
338.06644	2.7
339.03653	2.8
341.09109	8.7
342.07343	19.1
343.08090	10.8
345.06284	5.8
350.06607	3.7
352.04523	3.5
353.05286	9.7
354.06293	4.1
358.09351	3.2
359.07736	5.1
360.08505	2.8
368.07727	85.5
369.08377	11.2
370.05682	8.2
372.10925	2.7
382.09314	48.9
383.09451	6.9
385.07953	3.9
400.10388	100.0
401.10730	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	399.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53445	0.2
53.87714	0.2
57.03310	0.4
59.01246	0.3
61.46043	0.2
61.64616	0.3
63.02256	0.4
65.00192	2.2
68.99685	0.9
69.41637	1.3
69.42049	0.5
83.01271	0.4
95.01225	0.4
98.19849	0.5
99.99600	0.2
105.06972	0.3
107.04902	0.9
107.08551	0.4
108.02077	0.4
109.02818	0.6
109.06486	1.4
113.93082	0.3
121.02868	1.6
123.00779	1.3
123.08024	0.3
124.01553	4.6
125.02362	1.2
125.09599	0.3
131.04900	0.5
131.08556	0.6
133.02853	0.6
133.06493	6.0
135.04405	0.5
136.01555	0.6
137.02348	6.2
139.03931	0.5
141.36871	0.3
147.08054	2.1
148.01572	0.3
149.02350	10.3
149.06007	1.3
149.09631	0.4
149.99475	0.9
150.03079	1.1
151.03905	0.7
151.07552	3.1
158.67265	0.3
159.04495	0.4
161.02341	3.7
162.06787	0.6
163.00299	1.3
163.03848	0.6
163.07458	0.4
164.01088	0.5
164.04608	0.3
165.01782	0.5
165.05478	0.6
173.06007	1.0
174.03061	0.3
175.00256	1.7
175.03908	2.6
175.07585	1.9
176.01056	4.6
176.04320	0.4
177.01868	3.5
177.05510	1.7
177.09195	0.2
178.02527	1.0
178.05780	0.3
189.01840	2.7
189.05498	1.2
190.02605	0.5
190.06277	1.9
191.03487	2.3
191.07065	9.4
192.07823	2.8
193.08638	3.4
194.08926	0.4
201.01880	0.3
203.03487	1.6
204.07742	0.4
205.05057	0.5
205.08476	0.4
214.02666	0.4
215.03419	0.5
217.01286	0.4
217.04984	2.8
218.05759	2.1
219.06577	11.8
220.07004	1.3
228.04070	0.4
231.02948	0.3
231.06627	0.4
232.03743	0.5
232.07361	0.8
233.04489	0.5
233.08141	1.1
234.08525	0.3
243.02979	0.3
245.08102	2.4
246.05408	0.4
247.06047	0.4
255.02928	0.3
255.06369	0.3
256.03772	0.8
259.02805	0.3
264.06396	0.8
270.05264	0.3
282.05078	0.4
285.07483	0.3
297.11310	0.3
300.02838	1.6
301.03445	0.7
307.09848	0.3
309.11551	0.3
313.10724	0.4
314.11682	0.3
315.05139	2.2
316.05707	0.6
323.05573	0.4
323.09308	0.6
325.10928	1.1
326.04150	1.2
327.05063	0.5
329.06424	0.3
341.06650	4.7
341.10367	0.7
341.16272	0.2
342.07001	0.6
351.08771	0.8
353.10269	1.0
355.15628	0.3
368.08868	0.5
369.09763	11.8
370.09985	1.3
383.11496	1.9
384.12140	6.0
385.12418	0.9
399.14462	100.0
400.14822	14.8
400.18997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80214	0.4
59.01258	1.3
69.70192	2.2
71.01261	0.9
75.00785	0.4
85.02827	1.0
87.00757	6.7
89.02343	1.3
89.84042	0.4
90.13055	0.4
93.03348	0.4
99.00784	0.7
101.02317	0.9
106.04147	0.8
107.04916	0.4
107.39765	0.4
108.02059	2.0
109.02853	1.4
111.00690	0.4
119.04881	0.5
121.06490	1.3
122.03633	1.1
123.04399	1.1
130.04089	0.5
131.04935	1.6
134.03644	0.6
137.02347	3.6
147.04425	4.7
148.05208	4.6
149.05989	84.1
150.06308	5.4
163.03957	4.8
164.04707	6.1
165.05418	1.3
166.06273	2.7
175.03908	2.8
177.05475	1.5
193.04994	100.0
194.05330	5.6
208.03757	0.8
215.02774	0.4
219.02916	7.6
220.03252	0.5
220.07309	0.5
235.09668	1.2
237.04070	2.3
238.08351	1.1
261.11319	1.6
267.10840	1.0
279.12231	1.1
305.10223	0.8
312.19016	0.5
321.88385	0.4
323.11319	4.1
324.11560	0.4
355.10175	3.7
355.14044	2.6
381.08282	2.1
394.23306	0.4
399.09152	23.4
399.13507	2.0
400.09781	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.9
59.01263	1.3
65.37618	0.7
71.01238	1.1
71.20223	0.8
71.20557	0.7
78.95779	4.2
81.03345	1.0
83.01261	1.5
83.04926	0.8
85.02840	0.9
96.96806	0.6
107.04958	1.1
107.08560	1.8
109.06459	9.0
124.01559	8.7
125.02326	1.0
125.09607	6.7
137.02370	3.7
138.03181	0.7
139.96413	0.8
141.81161	0.6
149.02417	1.2
149.09619	13.4
150.03142	4.4
150.09906	0.9
151.07559	6.1
177.05467	0.9
191.03346	1.4
191.07220	0.7
193.08646	100.0
194.08960	5.6
217.85507	0.7
237.08815	0.8
246.27768	0.7
385.90524	0.7
399.14447	23.0
400.14886	3.9
400.22614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61753	0.7
59.01266	5.5
71.01265	1.9
71.40947	1.3
74.22696	0.9
77.92050	1.1
81.25264	0.9
82.79469	0.7
85.02822	2.1
87.00759	55.2
88.01109	1.1
89.02364	0.9
93.03329	1.2
97.06460	1.3
101.02361	1.1
113.02322	0.9
121.02782	0.9
123.04426	0.9
125.02370	0.8
130.99750	3.5
131.66862	0.8
137.02330	1.8
147.02876	1.8
147.04404	2.5
149.02368	1.6
149.05978	3.1
151.03905	1.0
159.04472	1.2
163.07590	0.9
172.05193	1.0
173.04498	3.4
173.06017	4.7
175.03877	1.1
175.07631	1.0
183.04523	1.1
185.06026	1.5
186.06773	4.0
187.07613	4.2
189.09045	1.5
191.03612	0.9
191.05478	0.9
193.01303	1.0
193.04982	1.5
197.06041	1.2
199.07562	1.0
201.09169	15.1
203.10687	1.5
211.07684	0.9
215.06943	1.4
217.08678	1.3
221.11752	6.3
227.10851	4.5
233.11809	14.4
243.10187	1.6
247.09807	1.5
255.06564	1.2
259.13397	1.4
271.09604	4.0
275.12936	1.9
285.11432	1.0
303.12366	4.4
304.12036	0.9
305.10190	1.6
329.10416	0.9
365.12424	100.0
366.12711	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05611	1.0
55.13335	0.9
71.52242	1.4
76.70952	1.1
79.74471	0.9
81.46651	1.0
85.02834	1.0
89.01416	1.3
93.03368	1.0
108.02059	2.9
109.02791	1.6
121.06472	2.0
122.03617	1.2
123.04374	1.9
131.04912	2.3
147.04414	3.9
148.05235	5.2
149.05988	98.4
150.06383	5.9
160.56152	0.9
190.81712	1.0
193.04994	100.0
194.05403	6.4
219.03021	1.9
237.04196	0.9
241.38733	1.0
287.60974	1.0
355.10239	1.7
399.09280	25.5
399.14481	1.8
400.09671	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
50.29570	0.8
53.55387	0.9
59.01274	1.2
59.38796	1.0
71.18723	2.2
72.35552	0.8
91.05945	0.9
91.35703	0.8
93.37794	1.0
108.02084	2.2
109.02843	1.6
119.04920	1.2
121.06516	1.6
122.03639	1.3
123.04406	2.0
131.04898	2.2
133.52196	1.1
136.55565	0.9
147.04410	8.8
148.05217	6.4
148.52692	0.9
149.05984	100.0
150.06329	4.6
157.07968	1.0
161.68381	1.1
175.03909	9.2
193.04993	85.1
194.05322	4.6
219.02930	18.6
219.85365	1.0
220.03333	1.5
237.03923	1.8
279.25809	1.1
355.10233	1.2
381.08096	4.1
399.09302	26.0
400.09619	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.01248	4.5
68.55759	0.7
69.65897	4.7
71.01247	1.6
85.02827	2.7
87.00753	65.3
88.01089	0.8
89.02310	0.6
93.03348	1.0
101.02303	0.7
121.02808	1.4
123.04414	0.8
125.02324	1.2
130.99733	3.1
131.04959	0.7
137.02309	1.5
147.02985	0.8
147.04446	1.1
149.02367	0.8
149.05994	1.2
150.12923	0.7
157.10147	0.7
159.04492	1.0
161.06038	0.9
163.07410	0.6
167.60130	0.7
172.05202	1.9
173.04459	2.3
173.05991	5.1
174.03238	1.7
174.06851	0.7
175.03905	1.0
183.04408	0.9
183.08177	0.7
185.05965	1.1
186.06773	5.0
187.07576	5.0
189.09091	1.4
191.03366	1.1
191.05426	1.2
192.00467	1.7
193.01320	2.0
193.05019	1.5
197.06090	1.0
199.07616	1.6
201.09149	17.0
202.09457	1.6
203.06845	0.8
203.10727	1.2
211.07442	1.4
215.07060	1.7
219.10207	1.0
221.11815	6.4
227.10744	4.7
233.11790	15.5
243.10223	2.5
247.09731	1.5
253.08646	1.3
259.13330	1.6
271.09744	5.3
275.12866	2.7
285.11218	1.4
293.44708	0.6
302.46631	0.7
303.12476	3.3
305.10287	2.6
319.15179	0.7
329.10461	0.8
353.06830	0.9
365.12399	100.0
366.12772	11.7
369.31219	0.8
397.07370	1.5
398.12778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
59.01262	3.8
69.75346	3.9
71.01252	1.7
72.64170	0.7
72.99190	0.8
85.02824	3.0
87.00750	70.7
88.01056	1.0
91.66671	0.5
93.03320	1.7
121.02853	1.0
122.06925	0.7
125.02370	0.6
130.99774	3.9
133.01132	0.8
147.04407	2.8
149.02332	1.2
149.06023	0.8
172.05168	1.7
173.05975	6.7
174.03122	1.2
175.03905	1.0
179.03380	0.9
180.95908	0.7
183.04385	1.5
185.06012	1.2
186.06790	6.2
187.07532	3.9
189.09143	1.3
192.00583	1.7
193.01477	1.6
193.04988	1.1
197.06055	1.1
199.07562	1.5
201.09137	20.4
202.09491	1.9
203.10692	1.4
205.12212	0.9
209.09593	1.0
211.07596	0.8
215.07018	1.4
218.09549	1.1
219.10080	1.0
221.11859	4.7
225.05447	0.8
227.10721	5.6
228.77197	0.7
233.08217	1.0
233.11775	15.6
234.12106	1.4
243.10211	2.7
247.09705	1.2
259.13367	2.2
265.10602	1.1
271.07111	1.1
271.09705	5.2
272.10223	1.0
275.12851	3.2
285.11285	1.3
303.12369	5.0
305.10315	1.7
329.10455	0.9
333.09802	0.7
365.12393	100.0
366.12714	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	397.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53739	0.6
59.01234	1.1
61.98693	2.4
63.48228	0.6
65.43234	0.6
71.83192	0.6
107.04950	0.8
108.02078	0.8
109.02832	0.7
121.02881	0.8
123.00792	0.9
124.01618	0.8
125.02340	0.9
131.01276	1.2
133.02831	0.8
133.06500	0.6
135.00734	0.7
137.02339	2.4
147.08060	1.4
148.01570	1.0
149.02341	5.7
149.05984	1.7
151.00320	0.7
159.04361	1.0
161.02342	1.8
162.03185	0.9
162.06801	1.1
163.00294	6.2
163.03909	1.0
164.01059	1.2
164.04709	1.3
173.05988	1.4
175.00285	4.6
175.03984	1.8
176.01003	1.4
177.01849	1.4
182.19844	0.6
187.04094	0.6
189.01865	6.0
189.05476	1.9
190.02621	2.9
190.06212	2.2
191.03354	1.8
191.07039	5.6
199.13373	0.9
203.03384	1.1
203.06984	0.6
204.04231	0.6
217.04991	3.7
218.05792	0.9
219.06549	1.3
231.02963	0.7
243.02917	0.6
255.15945	1.0
257.77362	0.6
267.03271	1.1
267.19601	0.7
285.04050	1.1
295.02441	1.2
295.09839	1.3
296.03333	0.8
299.02039	0.8
311.09247	4.0
312.02841	4.8
313.03577	1.4
314.04099	1.0
321.03979	1.7
323.09235	1.2
324.02716	10.4
325.03308	1.0
327.05060	8.4
328.05615	1.1
339.05057	17.1
339.08945	1.6
340.05414	1.7
351.09015	0.7
367.08200	13.7
368.08350	1.9
381.10013	0.9
382.10614	10.0
383.11047	1.6
397.12912	100.0
398.13235	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	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.5
57.03321	2.9
58.00464	5.4
59.01252	100.0
60.01579	1.3
60.24895	0.9
65.58266	0.8
68.99693	2.5
69.03325	8.3
71.01255	98.4
71.24876	1.7
72.01598	1.8
72.99188	7.8
73.02821	23.1
74.05955	0.9
75.00729	3.0
75.64168	1.0
81.03334	3.9
83.01263	11.2
83.04929	1.0
83.25144	0.9
85.02827	20.5
85.99964	2.2
87.00748	19.9
89.02317	74.5
90.02672	1.5
91.03898	2.4
94.23969	0.9
95.01265	6.9
97.02214	0.6
97.02828	17.8
99.00777	7.5
99.04401	1.3
101.02325	76.6
102.02672	2.0
103.00266	1.1
103.03879	1.1
109.02861	2.2
111.00813	1.6
111.04400	5.1
112.01573	1.2
113.02331	33.7
114.02677	1.3
115.03899	3.2
119.03394	26.3
121.02852	1.8
124.01557	2.2
125.02340	23.1
127.03884	1.9
131.03412	3.9
133.04968	5.1
139.03925	3.8
141.01865	1.4
143.03395	10.9
149.02336	1.2
149.04448	1.1
151.03915	1.0
157.04973	1.3
161.04469	13.9
167.03404	1.1
169.04958	3.1
179.05499	5.7
185.04436	1.1
203.05460	1.1
210.67651	1.0
217.07143	3.7
221.06618	4.6
235.08192	22.4
236.08646	1.3
245.06589	1.2
253.09218	2.5
263.07700	2.8
277.09369	2.6
305.08911	2.1
361.11523	1.3
379.12500	2.0
397.13486	70.6
398.13800	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
55.70970	0.5
57.03313	1.0
58.00471	3.0
59.01252	82.6
60.01607	0.6
69.03343	1.2
69.72382	1.3
69.72797	1.7
70.02825	0.5
71.01256	60.0
72.01612	1.2
72.99195	3.8
73.02818	16.7
75.00751	0.7
83.01275	1.6
85.02831	8.6
85.03328	0.4
87.00758	2.7
89.02319	100.0
90.02677	1.6
95.01263	2.4
97.02835	1.9
97.03945	0.9
99.00759	26.6
101.02325	39.5
106.84480	0.4
110.05458	0.5
113.02338	14.3
115.03922	1.1
119.03395	14.7
125.02340	5.0
130.06544	0.6
131.03397	14.9
135.04404	0.5
143.03426	3.5
149.04462	48.0
150.04794	1.0
161.04454	4.2
164.02896	1.1
165.03738	1.0
173.04390	0.4
177.03714	0.8
178.03249	1.0
179.05521	6.4
190.03246	5.7
191.05534	10.7
203.04115	0.6
204.04846	2.3
206.06415	4.1
212.17969	0.5
218.06349	2.8
221.06619	1.9
232.04564	0.5
233.06802	0.9
234.02321	0.8
234.05894	0.8
248.03851	0.5
250.05380	1.3
251.07686	2.8
261.07117	1.0
261.13464	1.8
262.05377	1.0
293.08817	0.7
305.06024	19.3
306.06253	2.6
327.49933	0.5
393.17667	22.3
394.18042	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	394.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52559	5.6
59.01242	26.0
60.12022	4.7
71.01254	7.8
71.52490	9.2
72.99190	10.1
76.69044	5.2
82.58228	4.9
85.02815	14.2
87.00761	15.5
90.37550	6.1
93.03320	33.0
96.97430	5.5
107.04874	12.2
111.04389	5.0
134.06049	6.1
135.04413	18.6
149.05966	15.9
155.03328	6.6
158.05998	31.1
163.03911	7.7
173.04480	100.0
173.05890	5.2
174.04832	6.6
176.07053	17.2
179.03452	6.5
191.05528	87.6
192.05887	7.6
202.05052	21.5
220.06100	71.8
271.23898	6.4
394.11188	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	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53754	0.4
56.72927	0.4
59.01246	2.0
61.66067	0.5
65.33269	0.5
65.66680	0.4
70.68319	1.3
70.68681	0.8
70.68857	0.4
71.01250	1.6
89.02294	0.6
117.01849	0.5
123.29326	0.5
135.02855	0.8
151.50024	0.6
229.91103	0.5
277.21732	100.0
278.19034	0.7
278.22061	12.7
395.24298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22807	0.6
55.01738	0.8
57.03319	1.9
58.00470	1.1
59.01252	22.1
64.85706	0.7
65.33247	0.6
66.76440	0.6
67.01768	2.2
68.99687	2.6
69.03338	1.5
70.30054	2.8
71.01252	20.4
72.99191	6.3
73.02833	2.2
75.00754	23.7
80.13491	0.7
81.03329	1.3
83.01257	1.8
84.02044	0.7
85.02826	23.6
86.03197	0.9
87.00758	9.0
89.02332	5.7
91.03866	1.2
93.03362	1.7
95.01288	5.8
96.85281	0.8
99.00756	13.1
103.00252	2.4
103.05402	1.5
104.80222	0.7
106.99423	0.8
107.04893	0.8
111.00818	1.7
113.02335	30.3
115.00277	3.0
117.01824	4.7
119.04915	1.7
129.01836	2.3
147.04427	100.0
148.04755	5.1
152.59044	0.7
157.01312	1.7
175.02434	3.6
189.04013	1.7
194.69702	0.7
231.05019	8.3
249.06139	66.6
250.06401	4.1
310.24121	0.9
331.07016	0.8
337.09143	1.0
349.83929	0.7
379.10422	2.8
397.11386	68.2
398.11893	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	397.114
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
59.01252	1.8
69.20782	6.9
71.01251	1.1
81.03317	1.1
85.02833	0.7
87.00734	3.5
92.88374	0.6
93.03298	4.2
101.02283	0.8
109.08356	0.6
111.04394	2.5
119.04941	0.9
121.02856	7.6
123.24236	0.7
132.02052	0.8
134.03630	0.7
137.02370	0.9
147.04437	4.7
149.02345	60.2
150.02682	3.4
155.03381	2.8
164.04698	50.1
165.05042	3.1
173.04471	5.5
179.07079	2.6
191.05525	7.9
193.04967	0.9
211.60664	0.7
223.06068	100.0
224.06384	6.2
237.04126	1.1
251.32332	0.6
292.21368	0.8
397.11359	4.9
397.17014	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	397.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86917	0.9
59.01241	4.0
61.98706	12.0
65.00154	1.4
69.79763	1.4
69.80176	3.2
80.76308	0.7
83.04913	1.0
86.73063	1.0
87.00759	1.7
93.03338	1.4
98.19714	0.9
108.84081	0.9
121.60815	0.9
123.41058	0.9
124.01590	1.5
133.06525	1.0
137.02347	1.0
147.08060	1.5
148.01602	1.0
149.02357	5.4
149.05981	1.0
151.00296	1.0
151.07452	1.3
157.95050	0.9
159.04440	0.9
161.02361	1.5
162.03168	1.7
163.00310	3.3
163.03928	1.3
164.04738	1.7
168.17418	1.1
173.05975	1.6
173.65359	0.8
175.00319	4.9
175.01573	0.9
175.03883	1.6
176.00993	1.8
177.01836	1.8
189.01871	5.4
189.05452	2.4
190.02628	3.7
190.06258	3.0
191.03419	1.7
191.07083	4.8
193.08566	0.9
200.18465	0.9
203.03429	1.3
204.04132	1.0
217.05083	3.4
219.06573	2.0
239.03407	1.0
240.04280	1.0
267.02722	1.0
278.02524	1.1
309.04111	1.4
311.09290	8.6
312.02798	1.5
321.04050	1.4
323.09213	1.7
324.02768	12.3
327.05133	2.8
337.07272	1.2
339.05106	18.6
339.08826	2.1
340.05457	2.0
351.08658	1.1
367.08212	18.6
368.08670	2.0
381.09857	2.2
382.10526	12.4
397.12921	100.0
398.13214	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	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01607	1.3
68.96626	0.9
69.02785	0.9
71.01251	2.7
71.51889	1.8
74.75773	0.9
79.52234	1.0
85.00410	0.9
93.03300	1.1
104.28009	1.2
135.04445	1.3
202.05107	1.1
220.05981	1.4
377.39282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.7
63.44979	0.3
67.01767	0.3
69.26976	2.1
69.27380	0.6
73.89501	0.3
77.03829	1.1
81.03334	1.6
85.02851	0.4
86.00473	0.3
89.03841	2.6
93.03333	5.2
95.01256	1.4
95.04905	0.7
105.03341	5.2
107.01277	2.1
108.05088	0.2
109.02819	0.4
111.00739	0.6
116.95006	0.3
121.02840	4.7
123.00782	0.7
123.04401	0.9
124.01631	0.3
129.58835	0.3
131.01350	0.3
133.02861	3.7
137.02319	0.6
138.73141	0.4
139.03934	3.5
147.04390	0.4
148.01564	0.7
149.02345	11.2
151.00287	2.8
164.40550	0.3
165.05496	0.3
171.04498	0.8
176.01074	0.6
177.01852	100.0
178.02194	5.3
249.05571	0.3
262.06656	0.5
273.09247	0.5
274.06305	0.7
275.07095	0.6
277.08398	0.4
289.08667	2.3
292.07214	0.4
305.08145	0.8
315.06677	0.7
317.08151	1.1
318.05225	0.4
331.22495	0.4
332.06952	0.7
333.07626	1.2
334.08493	1.3
343.06155	0.5
361.07169	16.1
362.07431	2.5
393.09796	25.7
393.23141	2.6
394.10202	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	393.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45607	0.4
54.06183	0.3
57.97447	1.0
58.55892	0.5
59.01253	4.4
65.99722	0.7
69.80630	0.5
69.80899	2.1
70.02853	1.8
71.01266	2.2
73.02837	0.5
73.48233	0.5
74.02365	0.5
75.00761	0.7
75.08306	0.3
81.97448	1.3
82.24739	0.4
85.02833	0.7
87.00756	0.8
89.02338	3.3
97.01064	0.4
97.02835	0.7
97.03945	4.0
99.00761	0.9
101.02343	1.5
105.06971	0.5
113.02348	0.8
118.12695	0.4
123.02639	0.7
130.06529	4.0
131.04945	0.5
139.02116	0.6
144.04437	1.0
149.00594	0.5
149.04375	2.2
152.01584	0.5
156.04449	1.5
158.06026	0.5
162.03793	0.8
163.00967	0.6
163.02147	2.7
164.01678	2.3
164.02957	2.9
165.03786	3.4
170.06102	0.6
171.06718	1.0
172.07578	1.4
174.03755	0.9
177.02432	0.9
177.03754	3.3
177.99622	0.4
178.03230	3.9
179.04007	1.9
179.05481	0.4
180.04732	1.1
184.07635	0.8
188.01628	1.1
189.02409	0.8
189.09151	1.5
190.03273	22.7
190.06845	0.8
191.03569	1.7
191.05363	1.0
192.04829	1.1
193.05003	0.5
199.08685	1.1
200.21379	0.4
202.03255	0.8
203.04086	5.9
204.04846	12.0
205.05128	1.0
205.18340	0.4
206.06407	14.0
207.06853	0.9
209.02684	0.7
215.10664	0.5
216.01396	0.5
216.04736	0.5
218.06412	9.5
219.03584	0.4
219.06731	0.6
222.02373	0.5
227.08203	0.7
227.10655	0.4
232.04366	1.0
233.05124	1.8
233.07472	0.8
234.02325	5.2
234.05951	3.9
244.04271	0.4
248.03850	1.8
250.05441	5.4
261.07080	4.5
261.11310	0.9
262.05414	5.8
263.05713	0.4
271.09866	0.4
276.03464	0.8
276.44135	0.4
277.04129	1.2
277.06766	0.5
278.04941	3.4
287.04965	1.3
289.10837	1.5
305.06036	100.0
306.06342	9.5
315.94336	0.5
319.11908	0.8
331.03769	0.5
331.11951	1.4
349.05017	2.9
393.11954	2.8
393.17267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98729	8.9
54.92781	9.5
62.12194	8.5
70.85339	17.3
75.39363	9.0
84.07794	9.7
85.02811	10.0
95.01270	31.4
97.57691	8.1
107.01257	35.5
112.03815	8.5
123.00781	40.7
124.01552	30.8
125.02330	29.3
137.02380	11.0
139.00246	13.4
151.00264	78.2
152.01059	11.6
161.02336	14.8
164.29382	9.1
169.02876	9.6
172.47327	9.8
174.03159	23.2
176.01028	8.2
177.01866	31.5
185.02469	11.6
186.03250	10.7
189.01874	15.4
197.02359	11.8
198.03128	15.1
201.01859	66.0
202.02643	17.8
213.01776	17.4
214.02628	18.1
217.01357	27.4
225.01784	11.0
226.02666	20.5
229.01393	20.9
230.02139	11.7
235.02394	10.9
241.01476	14.0
242.02145	39.8
243.02904	18.0
245.00609	10.4
246.01616	12.5
253.01381	10.3
257.00876	9.9
258.01620	12.1
259.02512	11.4
269.00836	16.3
270.01688	28.5
271.02554	38.2
285.01016	10.6
285.04086	28.7
287.01917	13.0
297.00485	16.6
298.01297	17.5
299.01947	32.3
301.03647	21.7
313.03406	100.0
314.04013	24.0
315.04825	18.7
328.02423	10.9
328.05948	25.9
329.02985	56.7
329.06747	51.6
342.07715	15.5
343.04355	13.4
343.08170	22.4
344.05310	14.6
345.06155	20.0
347.07614	14.3
359.07916	15.3
361.05646	15.4
393.08160	13.0
394.09296	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	391.2128
Annotation	5,8-Epoxy-9-acetoxysinulariolide
Peak:m/z	Relative Intensity
52.52903	0.5
52.58774	0.6
57.03316	1.9
59.01252	15.9
68.58037	0.5
69.03313	0.6
70.73623	1.3
71.01244	1.8
72.02034	7.1
83.04913	1.5
87.00752	5.7
98.03591	0.7
111.04418	0.9
121.76936	0.7
130.99721	2.8
155.08574	0.6
243.17545	0.9
254.04294	1.8
259.20755	3.8
261.22229	77.5
262.22580	8.5
285.22260	2.8
287.03125	0.6
287.20142	6.7
288.20627	0.7
303.19922	1.5
303.23285	24.3
304.23666	2.3
305.21231	59.2
306.21561	6.7
331.19165	13.6
332.19519	1.9
333.94113	0.6
345.20660	1.6
347.22269	100.0
348.22626	14.7
349.20221	29.1
349.23688	0.4
350.20493	4.0
391.21280	22.5
391.26334	1.3
392.21561	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	393.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23167	0.9
57.03312	1.1
57.97434	1.4
59.01252	13.3
66.53928	0.9
69.42605	7.8
70.02851	4.0
71.01254	9.6
72.99179	1.2
73.02825	3.0
74.02347	23.4
75.00768	1.4
81.97466	2.1
83.01269	1.4
83.77988	0.8
85.02834	3.3
87.00761	3.0
89.02322	2.9
93.03335	1.6
97.03961	3.0
101.02330	4.7
102.02653	1.5
108.02116	1.2
111.00802	0.9
111.04378	1.1
113.02352	3.1
115.43000	0.9
115.96087	0.9
119.03404	1.2
119.04919	1.1
120.81725	0.9
122.03613	2.1
123.04443	1.4
130.06485	2.5
131.04915	1.0
137.00618	1.7
137.02333	1.3
138.00009	1.1
144.04462	1.5
148.99313	5.2
149.00520	1.8
149.05913	1.6
150.00101	2.8
161.02412	1.3
161.04465	2.0
163.02167	2.1
163.03922	2.9
164.01692	1.2
164.02963	2.1
164.04716	1.7
165.03876	1.5
165.05402	1.7
166.03296	1.3
170.06027	1.0
172.07549	2.1
173.04498	1.2
174.00134	3.4
176.01758	1.4
177.02409	3.5
177.03790	2.6
178.03186	4.0
179.03957	1.3
188.01695	3.6
189.02515	2.2
189.06693	2.5
190.03262	55.1
191.03561	3.2
191.05479	2.6
200.07101	1.7
202.03238	1.2
203.04088	5.4
203.97607	0.9
204.04836	21.5
206.06395	26.2
207.06734	1.4
216.04843	1.3
218.06404	33.7
219.06728	3.1
220.03110	1.5
221.03873	5.3
227.08206	3.5
230.02751	3.3
232.04425	1.6
233.05066	4.9
234.02214	2.8
234.05861	7.6
253.06219	1.0
259.05466	1.3
261.07031	100.0
261.13223	2.4
262.05020	1.1
262.07489	8.1
274.01779	2.1
276.03381	1.9
278.05078	1.4
287.04968	2.3
289.10843	1.1
305.06033	25.2
306.06375	1.9
349.05109	2.1
392.23682	2.5
393.03851	11.8
393.08188	1.9
393.17233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82812	1.6
55.01759	9.9
59.01249	100.0
63.09024	2.0
65.03822	2.2
67.88224	1.6
69.03334	3.6
70.81490	5.1
71.01250	38.3
72.99183	11.4
73.02817	14.1
75.00745	61.0
83.01265	6.2
85.02821	11.1
87.00756	6.9
89.02321	23.0
93.03344	13.6
95.01257	6.7
95.04913	2.7
97.02875	1.8
99.00757	4.2
101.02318	25.5
105.03330	4.3
108.02076	5.3
109.02801	10.5
111.04296	1.8
113.02313	13.4
119.03342	9.8
121.02850	19.3
123.00763	4.3
123.04429	9.7
124.01568	3.1
129.01845	13.8
131.03387	2.8
133.02843	6.7
134.03632	13.4
135.04437	2.8
136.01511	2.0
137.02348	16.5
138.03084	6.7
139.03900	6.4
139.51163	2.1
143.03389	2.9
147.02864	8.7
148.01616	9.5
149.02370	11.6
149.04462	1.8
149.05962	2.6
150.03133	5.7
151.03847	3.6
153.05473	7.4
161.04468	5.6
163.03915	9.3
164.00974	1.9
165.03958	89.1
166.02603	10.4
166.04147	3.3
167.03340	6.6
173.04494	11.2
176.01097	2.1
176.21643	2.1
177.01801	2.6
179.05484	3.5
181.04988	11.9
181.12076	1.9
187.13365	11.3
191.05522	3.2
192.04184	5.4
193.01355	5.0
193.04999	15.8
209.04549	9.0
217.10771	2.5
225.03934	3.1
243.04996	3.1
331.17685	12.9
340.07999	3.5
341.08905	11.0
349.18631	28.1
350.18942	4.0
390.17331	2.3
391.20200	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	390.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	10.3
59.01254	86.5
65.99725	35.5
71.01250	100.0
71.52682	14.9
72.01611	8.6
72.99171	39.9
73.02827	29.7
83.01235	21.8
85.02824	58.0
86.65106	8.7
87.00755	41.5
89.02315	24.4
94.02855	11.1
98.02369	14.2
99.00736	10.4
101.02330	75.2
102.02650	19.1
113.02317	30.9
114.02637	12.0
119.03398	15.2
146.03667	11.3
147.04393	16.7
149.06027	19.3
159.04401	32.1
160.05167	11.0
161.02364	10.7
161.04468	40.3
163.03937	11.9
163.07552	10.3
171.08150	10.7
172.05228	43.3
173.04602	8.7
173.05983	33.6
173.71863	10.3
174.06580	12.1
175.07491	13.5
183.04533	9.2
185.06001	19.1
186.06821	17.5
187.07532	33.9
187.09061	9.3
188.08105	9.9
189.09148	21.4
193.04990	13.4
199.04045	9.3
199.07632	12.8
200.04681	10.1
201.09076	61.7
203.07065	11.3
213.05489	11.1
213.09189	26.5
214.06294	18.3
215.07014	25.2
215.10657	13.0
216.07979	13.5
217.08549	12.8
222.09258	11.0
225.09178	17.7
227.10666	14.7
228.07954	20.1
228.10104	10.5
229.08603	28.6
233.08148	12.9
239.10712	12.8
240.10347	19.2
243.10466	62.6
244.10649	8.8
245.08125	19.1
257.11844	30.3
266.11853	27.2
284.12955	15.4
293.05484	9.6
304.11963	9.6
316.11755	15.4
328.11880	14.3
346.12946	10.7
372.10870	17.2
390.11996	65.9
390.22351	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14865	3.3
56.11169	3.1
58.54661	2.8
59.01245	20.6
59.28566	3.6
61.98708	100.0
69.03322	3.9
71.01263	8.6
71.14817	3.3
87.00757	53.4
91.05402	5.5
93.03364	11.3
95.04898	3.8
97.06474	12.6
99.02479	3.8
101.08184	3.7
105.03345	6.1
107.04915	5.5
109.02848	5.9
119.04933	8.3
121.02840	40.4
122.03616	8.0
123.04408	18.8
130.99776	8.6
135.04437	9.4
136.05240	6.6
137.02321	9.6
139.45941	3.4
145.02855	4.5
146.03593	3.6
146.81625	3.4
147.04427	66.9
148.05176	15.6
149.06007	57.8
159.04321	5.8
161.05972	6.6
162.03047	5.9
162.06721	4.3
164.04680	6.6
165.05542	4.4
172.05257	9.8
173.04555	5.9
173.05965	12.1
174.03130	7.0
174.06451	3.5
175.03827	9.5
176.04420	6.2
178.05025	4.4
179.03453	23.2
180.04161	9.4
185.05957	5.7
187.03983	7.3
187.07513	10.1
188.04782	5.6
188.08043	4.9
189.05362	6.7
190.06056	6.0
191.03423	29.0
192.04137	11.2
193.04996	61.7
197.06047	4.3
201.05547	6.7
201.09084	4.9
203.07133	4.7
212.08093	4.8
215.07036	4.6
225.09161	3.5
227.62421	3.8
231.06602	5.4
231.13814	5.2
232.07072	4.8
241.12297	9.4
243.10324	4.4
254.04216	6.2
259.13422	14.1
269.11819	4.2
271.99655	6.6
275.09195	6.7
297.15070	3.9
313.10825	6.9
315.01450	28.0
329.14005	15.7
330.03714	12.8
331.11816	6.2
332.06213	4.2
345.06116	11.5
347.15094	4.7
373.05569	39.2
390.12372	7.1
391.06720	4.5
391.13974	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01756	1.0
56.78876	0.5
57.03285	0.6
59.01252	46.9
60.01579	0.5
69.39251	3.4
71.01254	10.8
72.99180	0.4
73.02811	2.7
75.00755	0.8
81.51787	0.4
83.01266	1.7
85.02817	4.0
87.00726	1.2
89.02320	4.3
95.01249	0.6
99.00736	1.2
101.02326	7.7
113.02333	4.1
119.03374	2.2
143.03282	0.5
161.04474	1.4
165.03923	0.8
173.04405	0.5
187.07231	0.5
191.05403	0.5
197.11769	0.7
209.11755	1.2
227.12894	0.4
241.10689	0.8
260.60901	0.5
329.16043	1.0
371.16943	0.9
389.18170	100.0
390.18475	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	389.2182
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.29889	0.5
50.63875	0.5
53.05122	0.5
54.12955	0.6
55.01765	6.5
57.03332	6.3
58.00472	3.3
59.01256	66.6
60.01598	1.1
60.66977	0.5
64.85152	0.5
65.99723	3.3
68.99711	0.7
69.03338	1.8
71.01259	100.0
71.53812	0.8
72.01603	1.5
72.99181	8.0
73.02824	31.7
75.00751	2.3
81.03348	0.5
83.01264	14.2
84.02052	0.8
85.02829	45.0
85.99963	1.1
86.03178	1.2
87.00747	9.0
89.02325	38.7
90.02679	0.9
93.03362	0.6
95.01270	7.0
96.00846	0.7
97.02869	2.6
99.00768	11.0
101.02329	94.7
102.02653	1.3
111.00778	4.6
113.02342	46.0
114.02699	0.9
119.03397	21.6
121.02834	0.8
122.03638	0.7
125.02314	3.1
129.01828	3.2
130.99774	1.2
131.03426	2.3
134.03673	1.8
135.04410	0.8
143.03406	6.1
147.04417	1.1
149.02380	1.0
149.04469	1.3
149.05959	1.6
150.03111	2.6
151.43179	0.5
153.12842	0.7
155.10632	0.8
159.02908	9.8
159.04422	2.1
161.04480	52.3
162.04813	1.8
163.03955	1.4
165.05507	2.7
172.05243	1.5
173.04539	1.1
173.06010	2.3
175.03802	0.6
175.07617	1.1
177.05518	0.8
178.02597	0.8
179.05556	4.4
185.05893	1.3
186.05460	0.9
186.06911	1.0
187.03897	1.1
187.06139	0.6
187.07593	2.1
189.05559	1.0
189.09161	2.0
190.06432	0.7
191.03531	0.8
191.05490	1.3
191.10658	0.6
193.05017	3.8
195.06567	1.7
198.05580	0.7
199.07605	1.7
200.04842	0.7
200.08405	0.8
201.09161	4.3
202.06305	1.0
205.03500	2.3
213.05479	0.8
213.09134	1.1
214.06435	0.9
215.07152	1.9
215.10728	1.0
216.07698	0.7
217.08652	1.0
217.12282	0.9
219.10225	0.8
225.09169	0.8
227.10643	0.7
227.16568	4.0
228.08131	0.8
229.08682	2.0
233.08224	1.3
239.10754	1.3
240.10320	1.5
243.10442	5.6
244.10931	0.6
245.08212	1.3
257.11786	3.0
263.09528	0.6
266.11816	3.2
268.09628	0.6
273.07681	0.9
283.09451	0.7
284.09598	0.6
284.12836	2.0
302.14038	1.1
310.10672	0.7
316.11850	2.0
328.12033	2.5
340.85785	0.5
341.10263	0.7
346.12741	0.8
372.10962	1.6
389.21869	42.5
390.11951	6.5
390.16837	0.7
390.17758	0.6
390.22156	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	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	11.2
57.03325	4.8
59.01252	100.0
59.89061	0.6
60.01595	1.8
67.05405	0.6
71.01241	9.4
71.04903	1.5
72.99199	1.3
73.02834	1.7
75.00751	29.8
76.22480	0.7
77.40855	0.7
83.01206	0.8
83.04913	1.2
85.02827	4.6
87.00746	5.3
88.66005	0.7
89.02319	5.6
92.93575	0.7
93.03362	0.9
95.01265	1.0
97.06511	1.1
99.00768	0.9
99.04411	2.4
101.02338	6.4
101.56278	0.7
113.02323	1.4
113.98277	0.6
115.93455	0.8
117.01832	1.4
119.03410	1.6
119.08541	4.1
125.02363	1.0
129.01845	7.9
135.08051	1.7
135.11665	1.1
137.09612	6.4
139.00278	1.3
147.02908	13.6
151.00221	1.1
151.11176	0.9
161.04500	0.8
161.09520	1.0
163.07556	1.5
165.03966	69.6
166.04288	2.6
173.04480	1.6
173.45459	0.7
179.10707	3.4
181.08635	13.9
182.08881	0.8
191.05542	2.0
197.11772	65.5
198.12100	6.8
199.07669	0.7
209.11829	1.7
210.00262	0.8
213.64473	0.8
223.09689	1.9
223.13058	0.8
234.53159	0.7
241.10799	54.5
242.11226	4.6
292.14966	0.9
322.07922	0.9
329.15985	0.9
347.17117	1.7
371.13425	1.3
389.14462	59.1
390.15076	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.3
62.02799	2.1
69.35745	11.0
71.22124	1.7
73.60908	1.5
87.00750	6.6
97.06472	3.8
119.04913	2.0
121.43578	1.5
137.02356	4.4
140.38737	1.6
145.02834	3.9
146.03665	12.6
147.04427	21.9
148.05177	2.3
149.05904	1.8
157.06477	4.3
158.07277	7.4
159.04459	5.0
160.05139	2.0
161.02409	3.8
161.05998	4.6
172.05197	4.5
173.02354	5.3
173.05962	3.7
174.03133	42.2
175.03923	100.0
175.07536	5.2
176.04306	6.3
183.90141	1.6
185.06003	9.1
186.06793	11.3
187.03946	3.6
187.07588	39.9
188.04663	11.1
188.08054	2.3
189.01939	3.5
189.05501	68.5
190.02657	1.9
190.05910	3.5
191.03494	10.8
201.05495	5.3
201.09152	2.7
202.06277	5.3
203.07057	47.2
204.07607	7.9
211.13251	1.8
215.07097	4.3
218.01784	1.8
219.02943	68.2
220.03314	4.8
220.07327	1.7
229.04929	2.5
229.08615	3.0
230.05801	20.8
231.06584	54.9
232.06926	3.8
243.10298	3.6
247.06094	6.8
248.06874	27.9
249.07379	4.6
274.08618	1.6
292.09525	3.7
309.15012	6.2
327.16055	4.4
345.13428	3.1
389.07306	3.8
389.12006	14.9
392.54535	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	388.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60034	0.6
59.01249	2.4
64.01789	0.7
65.99725	2.1
70.95722	0.6
81.05468	0.7
87.00754	1.6
89.99702	0.7
97.06477	1.0
137.29115	0.6
146.03584	1.1
147.04425	0.8
159.04453	0.8
160.05331	0.6
161.02377	0.8
169.02940	0.7
174.03133	5.7
175.03947	2.5
175.07513	0.7
177.01855	0.9
185.02402	1.0
185.06033	1.0
186.06740	1.1
187.03926	1.2
187.07562	1.8
188.04698	2.4
189.05531	3.0
191.03389	1.2
197.02394	2.0
198.01915	1.5
198.06816	0.6
200.04691	1.1
201.01762	0.9
201.05374	1.1
201.09203	0.7
203.07150	3.6
209.02512	0.8
210.01828	0.8
211.03984	1.8
212.04756	0.9
213.01996	2.9
215.03474	0.7
215.07068	0.7
219.02983	2.5
224.01050	0.8
225.01984	4.4
226.01324	1.4
226.99785	0.9
231.06564	1.3
239.03430	2.0
240.00685	0.7
240.04192	2.2
241.01418	4.2
241.03603	0.9
248.06866	1.8
253.01364	2.6
254.00996	2.4
255.02992	1.8
256.03659	1.4
267.03012	0.7
268.00134	1.2
268.03723	1.9
269.00916	5.6
269.03558	1.1
283.02512	3.4
283.05499	0.9
284.03174	9.4
284.05713	0.7
285.00204	0.9
285.03244	1.2
296.03378	0.8
297.00394	4.5
297.99930	1.0
298.05341	0.7
299.05606	4.6
300.05811	0.8
311.02029	2.7
312.02780	14.7
313.02716	3.3
314.07834	3.6
326.04233	1.0
327.05032	4.8
328.04724	1.3
330.02515	4.5
342.07413	26.3
343.07214	7.1
358.02039	29.1
359.02484	2.8
371.06439	2.0
372.03409	3.0
373.04315	7.7
388.06726	100.0
389.07047	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60513	0.4
55.01763	2.0
57.03320	2.2
58.00469	2.8
58.75457	0.4
59.01253	100.0
60.01590	1.5
67.01754	0.5
69.03336	0.6
69.20119	0.4
69.20438	4.3
71.01257	47.0
72.01603	0.6
72.99181	5.4
73.02827	4.7
81.03300	0.5
83.01259	2.9
85.02826	14.9
87.00751	3.3
89.02320	39.4
90.02666	0.7
93.03334	3.7
95.01263	3.3
95.04946	0.4
98.19777	1.0
99.00750	2.3
101.02325	23.6
102.02657	0.6
102.27708	0.4
108.02068	1.8
109.02835	1.1
111.00789	0.5
111.04413	0.7
113.02336	16.8
119.03395	15.8
120.03711	0.5
121.02856	1.3
123.04398	1.2
125.02343	0.8
131.03419	1.0
133.02834	0.4
137.02364	0.5
138.03053	0.4
143.03372	2.1
147.04434	0.4
149.04420	0.8
151.03871	1.2
152.01102	0.5
153.09052	0.6
159.02888	1.1
160.05293	0.5
161.04472	5.7
162.06743	0.4
163.11203	10.1
164.11555	0.8
173.04518	1.5
173.09616	2.1
177.01775	0.4
179.05553	2.6
184.46823	0.4
189.12787	12.8
190.13080	1.0
191.05537	10.2
195.02937	1.4
195.73080	0.5
207.10295	1.0
207.13855	2.9
209.04573	0.6
225.11356	0.7
225.14905	0.6
387.16556	38.2
388.16916	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73646	0.4
57.03300	0.7
58.00457	1.0
59.01252	59.7
60.01571	1.0
69.37496	4.4
71.01256	12.8
72.99162	1.1
83.01246	0.7
85.02831	2.1
87.00740	1.5
89.02316	11.0
95.01272	0.8
98.19764	0.9
101.02313	7.6
102.56741	0.5
108.02086	0.6
113.02343	4.2
119.03374	5.2
126.99948	0.5
157.97745	0.5
163.11197	4.9
183.45525	0.5
191.01219	0.5
207.10226	14.4
208.10487	0.9
251.03214	0.5
280.21060	0.5
387.16592	100.0
388.16919	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03308	1.0
58.00465	0.6
59.01253	71.3
69.48671	2.2
69.49075	1.4
71.01253	15.8
72.13852	0.6
72.99169	0.9
73.36809	0.6
83.01262	1.0
85.02826	3.1
87.00780	0.9
89.02322	12.1
90.02663	0.6
95.01254	1.6
98.19833	1.2
101.02334	7.5
113.02325	5.0
119.03387	5.6
163.11171	4.2
207.10207	13.3
208.10394	0.7
260.09924	0.6
317.63126	0.6
346.44708	0.6
387.16592	100.0
388.16882	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	387.0724
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01251	4.5
68.99689	6.5
69.16335	0.9
71.01233	2.2
89.02298	1.3
99.00763	21.8
101.02315	2.5
123.00783	10.3
136.01610	1.9
148.47365	0.8
151.03938	2.5
161.02354	2.6
161.04489	1.1
162.03110	1.3
166.02635	1.0
181.05083	1.5
185.02448	1.5
194.99281	15.5
198.03145	1.1
201.01797	1.8
214.02696	1.6
214.99780	3.6
225.64990	1.0
225.99043	2.0
227.03484	1.2
229.01358	6.9
230.02148	6.1
231.02882	1.2
241.05135	2.0
241.98558	3.8
242.02174	1.6
243.02982	1.1
245.04524	5.0
246.05180	1.4
253.98651	4.5
257.00818	4.7
257.04517	1.4
258.01584	1.4
270.01773	1.8
285.04089	2.8
286.01376	1.5
286.04745	1.7
298.01355	1.1
313.03625	3.9
315.05054	2.8
318.03763	2.0
324.99731	1.4
329.03076	12.4
343.04782	1.6
344.05338	4.0
357.02533	50.0
358.02759	5.0
371.04010	6.6
372.04849	8.8
373.04773	1.2
377.58234	1.1
387.07233	100.0
388.07550	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	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
68.99693	5.3
69.20396	3.8
69.20812	1.0
71.01254	1.0
80.77681	0.5
85.02835	0.7
86.75038	0.5
87.00747	0.8
88.49955	0.4
89.02321	0.6
90.62540	0.5
92.99725	0.8
99.00757	22.6
100.94632	0.5
109.02838	0.8
110.57391	0.6
115.49706	0.6
121.02803	0.5
123.00764	11.2
147.00787	0.7
147.04410	0.6
149.05952	0.7
159.04457	0.5
161.02304	2.8
162.03107	1.4
173.02379	0.5
185.02354	1.2
187.03827	0.7
193.05049	0.8
194.99275	15.9
197.11794	0.6
198.03082	2.2
199.04010	0.9
200.01100	0.7
201.01822	1.7
211.03922	0.7
213.01834	0.7
214.02650	1.3
214.99783	3.2
217.05080	0.7
225.99060	1.4
226.02550	1.3
227.03360	1.3
229.01392	6.9
230.02156	7.3
231.02638	1.4
240.04240	0.6
241.04991	2.3
241.98553	2.6
242.02138	1.6
243.02931	1.2
244.03487	0.8
245.04494	5.1
246.05338	0.5
253.01410	0.7
253.98618	4.0
254.01349	0.5
255.02939	1.5
256.03641	0.7
256.07336	0.8
257.00882	4.1
257.04504	1.1
257.08173	0.7
258.01770	1.2
270.01749	1.4
271.02255	1.2
279.17294	0.5
281.98099	1.7
284.03229	0.7
285.03970	3.6
286.01230	1.2
286.04810	1.6
287.05478	0.7
296.20181	0.5
298.01129	1.0
300.02826	0.8
301.03412	1.1
313.03424	2.6
315.05072	1.9
316.05542	0.6
318.03812	2.6
325.00009	2.6
329.02963	10.9
330.03394	0.9
343.04550	2.0
344.05377	4.5
357.02524	50.4
358.02887	5.1
371.04068	7.0
372.04819	9.1
373.05121	1.0
387.07202	100.0
388.07501	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	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25781	0.3
59.01249	1.7
62.17209	0.4
69.03320	0.4
69.44779	2.3
69.45182	0.5
71.01248	1.4
75.18861	0.5
81.03321	0.5
84.02051	0.7
85.02818	1.2
86.31429	0.4
87.00766	0.8
93.03317	1.0
95.01250	1.6
97.06480	0.7
108.02068	2.2
109.02850	3.5
113.02327	0.5
113.29784	0.4
121.02825	5.1
122.03669	2.6
123.00766	4.0
123.04400	1.4
124.01525	1.2
125.02312	1.8
133.02884	0.4
134.03632	0.6
135.04413	0.6
136.01561	70.4
137.02374	16.2
138.02660	0.8
139.00180	0.5
147.04381	0.9
149.02374	2.3
149.05988	1.7
151.00296	15.6
151.03912	100.0
152.00983	1.5
152.04298	4.3
153.01820	0.6
159.04437	1.6
160.01401	0.5
160.05183	1.5
161.02336	0.9
162.03122	1.1
163.03918	1.9
164.04677	0.5
165.01816	0.9
166.02629	40.2
167.03308	2.7
173.02319	0.5
174.03168	0.4
175.03891	1.8
175.07582	1.3
176.01222	0.4
177.01866	3.0
177.05522	2.1
179.03395	1.0
181.04991	61.2
182.05310	3.4
184.03740	1.4
187.03899	0.6
188.04768	0.6
189.05487	0.8
190.02464	0.4
190.06229	1.2
191.03418	0.8
192.04184	0.7
193.04993	1.2
194.02168	0.4
195.02921	1.1
196.86862	0.5
203.07045	0.5
205.04987	1.4
205.08577	0.9
207.06644	0.7
209.04530	0.6
215.06940	0.4
219.06619	0.7
229.08438	0.4
243.06535	0.4
257.08105	0.6
284.06891	0.6
286.08411	0.5
299.09396	0.7
314.54453	0.5
327.08774	0.8
329.10275	3.4
341.13861	1.4
357.09787	19.0
357.14203	0.9
358.10168	1.4
372.12088	14.0
373.12433	1.5
387.14502	37.1
388.14835	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	386.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.5
60.01564	2.5
65.00220	2.8
65.99716	9.8
66.70868	2.3
68.01286	2.2
69.03329	2.4
71.01256	3.3
71.53618	2.3
87.00755	4.5
95.01266	16.0
107.01286	14.5
111.00784	3.1
121.02789	5.5
122.03131	4.5
123.00764	12.9
124.01545	10.2
124.48862	2.2
125.02357	33.0
137.02344	20.1
138.02686	2.9
146.02420	2.5
147.04376	4.5
151.00275	66.8
151.02727	2.4
152.00787	3.3
153.01833	18.4
161.02383	3.1
162.01799	3.3
163.00241	2.6
164.01126	3.2
164.03391	15.5
165.01796	4.1
169.01363	4.8
170.02396	4.9
171.03165	2.7
176.01018	2.4
177.01883	17.7
181.23271	2.1
182.72235	2.0
186.01894	28.5
187.02649	10.1
189.01895	3.2
198.03191	3.7
199.03928	4.9
201.01923	3.7
202.04958	4.9
203.03426	3.4
211.04005	3.1
214.02802	3.5
215.03563	4.6
217.01453	2.4
224.13774	2.1
226.02711	9.6
227.03374	11.0
228.03758	2.3
239.03569	4.1
241.05011	3.1
242.02184	7.6
243.03000	11.6
254.02196	4.2
255.03061	13.7
256.03595	3.6
266.04623	3.4
267.03152	2.8
268.02710	2.5
270.01654	11.3
270.04221	6.3
271.02463	15.5
282.01471	3.8
283.02542	6.7
285.04053	15.4
286.03909	9.7
294.04028	8.9
295.02435	4.2
297.03867	2.8
298.01175	8.7
299.01929	22.0
300.02737	5.7
300.06192	3.3
301.07187	13.2
308.01984	5.4
310.03528	11.4
311.01767	5.2
312.02344	3.8
312.05603	3.6
313.03534	40.8
314.03836	18.0
315.01428	3.0
315.04922	5.5
318.07376	4.8
322.03442	12.9
323.04364	3.2
324.05185	3.2
324.16724	3.1
327.05023	7.6
328.05869	45.8
329.06589	14.2
331.04373	3.7
336.05057	7.6
338.03082	17.5
338.06650	4.0
339.03625	4.1
340.04843	3.0
341.06714	4.3
342.18106	5.3
344.07751	8.0
345.06104	11.0
353.05435	7.3
354.02399	4.5
354.06247	34.7
355.06906	8.9
356.04092	8.3
356.07770	8.4
358.09222	2.9
359.07648	3.1
368.07706	58.0
369.08026	4.2
371.06351	7.7
385.15610	2.3
386.08832	100.0
386.13870	6.2
386.16721	10.8
387.09311	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	385.1658
Annotation	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
53.15889	0.5
54.40347	0.4
57.30286	0.5
59.01254	2.9
61.98387	0.5
70.80788	0.4
71.01258	0.6
73.85921	0.5
79.66112	0.5
83.01258	0.8
85.02856	0.5
95.04876	0.8
97.02798	0.6
101.02304	0.6
107.04908	1.0
109.02847	1.9
121.02858	3.1
122.03628	1.4
123.00784	0.6
123.04394	3.3
124.01582	0.7
125.02330	1.6
125.05962	0.7
134.03645	1.1
135.04413	100.0
136.01591	0.6
136.04704	4.1
137.02338	6.6
137.05957	0.7
139.03935	0.7
141.09077	0.6
147.04413	8.7
148.01566	1.1
149.02353	12.9
149.06000	3.3
150.02853	0.7
161.02403	2.7
161.05927	0.5
163.03946	1.1
164.04698	3.9
165.05482	0.8
171.04442	0.8
185.05989	0.7
187.07608	4.7
188.07861	0.5
191.07043	1.0
199.07593	1.5
201.09120	0.6
205.08635	6.0
209.08113	2.8
213.09192	0.7
215.07115	0.6
217.08644	1.5
226.06210	0.6
239.07156	1.3
241.08693	1.3
243.06555	0.7
243.10344	0.8
257.08087	0.6
267.06638	3.9
268.07117	0.5
270.05392	4.2
271.56387	0.6
283.06277	0.8
284.06808	1.8
285.07684	31.3
286.08124	2.9
299.09219	3.3
300.10019	39.4
301.10336	3.8
312.02951	0.7
315.12378	26.9
316.12604	3.5
332.09039	1.5
337.10773	1.9
342.07401	0.8
352.13138	1.2
353.13812	0.7
355.00958	1.3
355.11847	3.1
357.06125	0.7
367.11557	0.6
367.15314	2.7
370.10098	0.6
370.14371	2.5
385.06192	2.8
385.16620	60.5
386.16943	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	385.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	36.8
71.01257	33.2
72.99190	3.0
73.02824	32.1
81.45159	2.2
83.01245	3.5
85.02809	6.4
85.06492	2.4
87.00742	4.9
89.02317	33.1
91.03908	12.0
96.63363	2.2
99.00725	3.0
101.02319	37.1
107.21230	2.2
113.02327	11.9
119.03378	9.2
131.03381	10.5
149.04463	2.6
161.04480	13.7
179.05550	6.0
193.07104	8.6
202.06488	2.3
203.30644	2.8
223.08211	70.7
224.08534	3.7
253.09262	24.9
325.11407	23.2
385.13522	100.0
386.13910	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31710	0.6
57.03322	2.5
59.01252	66.6
60.01583	1.2
65.96828	0.7
69.94566	3.0
71.01256	2.1
71.04912	0.8
72.99195	2.5
73.02824	1.1
75.00749	25.6
83.04899	0.6
87.00770	3.7
89.02321	4.5
97.02831	0.9
97.06423	0.6
101.02335	0.9
113.24326	0.7
117.01813	2.4
119.04906	0.9
119.43311	0.6
121.02836	1.0
123.04420	1.1
134.90776	0.6
135.02892	100.0
136.03232	2.8
137.02335	2.5
137.62994	0.7
146.57693	0.6
147.04405	1.9
149.06017	6.3
161.13249	1.8
163.11235	1.2
172.05182	1.3
174.01593	0.8
179.03481	0.8
187.07655	0.9
193.04971	4.5
201.09172	1.1
207.10182	1.2
211.07666	0.7
211.13362	0.8
211.25446	0.6
214.06406	0.9
223.13354	35.1
224.13660	3.4
225.09160	1.3
226.09988	0.7
243.10223	2.3
267.09683	1.2
267.12341	11.9
268.12701	1.0
269.11584	0.7
297.41806	0.8
323.16608	1.2
341.17456	1.5
385.10992	1.2
385.15134	26.6
385.21106	1.2
386.15384	2.8
408.07144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01251	31.7
69.37273	2.9
71.01252	2.7
72.99194	2.8
73.02833	0.6
73.94649	0.4
75.00749	22.7
81.03316	0.5
85.02843	0.8
87.00756	4.4
89.02316	4.1
97.06456	0.8
99.18416	0.5
101.02325	0.9
108.02034	0.7
109.02841	1.3
113.02332	0.6
117.01844	2.0
119.04908	0.5
121.02860	1.6
122.03624	0.5
123.04421	0.8
130.99733	0.7
135.02890	100.0
136.03249	1.8
137.02328	3.2
138.03099	1.4
145.02849	0.7
147.04410	1.8
149.05963	2.1
153.01852	0.4
160.05626	0.4
161.02386	0.6
161.13226	0.9
163.03937	1.9
164.04652	1.3
165.05466	1.1
171.88185	0.5
173.06012	0.6
179.03394	1.0
180.04167	0.6
184.62587	0.6
185.06136	0.6
189.01875	2.1
192.94380	0.4
197.05919	0.6
201.09215	0.4
214.06369	0.5
215.07034	1.0
219.02850	0.6
223.13345	17.4
224.13773	1.2
227.10660	0.5
243.10278	1.0
245.08403	0.7
267.12250	2.5
268.12781	0.6
269.11957	0.6
283.13327	0.6
285.15030	0.8
297.14859	1.2
300.13705	0.6
313.18289	0.6
323.16559	1.7
341.17599	1.7
367.10501	1.1
367.15317	0.7
385.10651	3.2
385.15726	8.4
386.15839	1.1
409.41461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.6
59.01254	92.4
61.69229	1.3
63.47208	1.6
65.38676	1.3
69.03313	1.4
71.01263	6.7
71.04897	2.1
71.54352	1.8
72.99181	3.5
75.00748	29.1
83.04916	3.0
85.02834	2.7
87.00757	13.5
89.02323	4.1
93.03342	5.9
97.06489	4.7
98.71806	1.4
99.00721	1.7
100.56046	1.7
101.02340	1.7
103.10926	1.3
109.02844	2.8
115.06462	1.3
117.01826	3.3
121.02856	9.6
121.06513	1.7
122.03683	2.4
123.04427	3.7
130.99786	2.0
135.02892	100.0
137.02344	10.1
138.03061	2.4
147.04433	6.6
149.02351	4.2
150.03123	5.1
161.13257	4.1
163.03915	8.0
164.04678	5.4
165.05524	10.4
168.24489	1.6
172.05334	1.7
173.04451	9.3
174.96689	1.5
179.03571	1.9
189.01917	4.0
191.03398	2.0
191.05624	1.6
195.06535	2.9
202.06357	1.5
207.10246	1.9
211.13222	1.5
213.09103	2.4
215.07024	1.7
215.10699	3.9
223.07617	1.6
223.13348	61.9
224.13635	4.6
225.09070	2.4
229.08650	1.6
239.07059	2.5
243.10225	4.4
253.12198	2.0
255.14163	1.8
265.12372	2.3
267.12329	21.5
269.11801	2.9
270.12320	1.4
283.13348	1.9
285.14960	2.8
297.14951	2.9
300.13687	3.6
311.12799	1.7
323.16534	5.1
325.11917	1.8
341.17581	6.9
357.17096	2.4
367.10345	5.2
385.10794	3.6
385.16196	25.7
386.16266	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	385.1294
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
57.03324	8.2
59.01244	0.9
65.79017	0.2
66.74532	0.2
76.64711	0.2
81.03325	0.4
83.01243	1.1
85.02796	0.2
89.02292	0.3
107.04870	0.3
107.08596	1.5
109.06480	5.4
119.32503	0.3
121.02844	0.7
124.01558	14.1
125.02450	1.3
125.09616	8.1
126.09895	0.2
137.02336	2.1
148.01558	0.6
149.02332	0.4
149.09622	7.3
150.03152	2.8
150.10004	0.4
151.06384	0.4
151.07553	3.7
164.04747	0.3
174.03149	0.3
176.01070	3.5
177.01764	0.7
177.05484	0.6
191.03448	4.4
191.07169	0.3
192.04187	1.3
192.07138	0.3
193.08641	100.0
194.08961	6.7
195.13817	0.6
207.06602	0.6
215.06937	0.3
233.08113	0.7
245.08218	0.4
268.00021	0.2
293.21365	0.3
311.22269	4.4
312.22495	0.5
313.07071	0.3
332.63934	0.3
346.86218	0.2
355.01044	0.5
376.18063	0.3
385.05527	0.7
385.12845	10.0
386.13254	1.6
399.51089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.0
65.03828	0.4
68.99699	0.7
70.54529	0.3
71.01254	0.5
71.04903	0.8
73.02821	0.5
79.05429	0.6
82.89748	0.4
83.01212	0.4
83.04927	0.6
86.81899	0.4
87.00752	25.3
88.01110	0.9
91.05415	1.7
93.03330	4.6
95.04921	0.9
97.06471	13.8
98.06814	0.6
103.05454	1.2
105.03330	2.8
107.04909	20.7
108.02053	0.8
108.05241	0.5
109.02858	0.4
111.04393	2.2
112.05187	17.1
117.03351	0.5
119.04920	2.5
119.18085	0.4
121.02847	57.5
122.03664	12.9
123.04465	2.9
124.01538	0.9
128.01054	0.8
130.04176	0.7
130.99777	1.7
134.95497	0.4
135.04422	2.9
137.02344	5.8
139.03906	1.6
143.04939	1.6
145.02914	0.4
145.06511	0.9
146.03696	2.4
147.04425	31.3
148.01622	0.6
148.05249	6.0
149.02367	2.8
149.06001	1.2
151.03925	0.5
154.02600	0.5
161.02333	0.8
161.06056	0.5
163.03925	21.0
163.07559	0.5
163.32761	0.4
164.04706	8.6
165.05455	2.4
172.05231	1.3
175.07581	1.0
178.06300	0.4
186.56230	0.4
191.03438	9.9
192.04213	6.9
193.01314	0.5
193.04927	0.9
194.02141	1.2
201.07381	0.8
201.09151	10.7
201.11044	0.6
202.09451	0.7
207.02986	0.5
219.10197	2.7
254.04329	1.7
261.11240	2.1
289.10919	2.0
291.08743	2.3
307.11945	0.5
321.13315	0.4
323.11380	15.1
324.11691	1.3
333.09729	0.7
351.10846	8.8
352.11267	0.9
365.12299	0.9
383.13467	100.0
384.13855	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	385.1142
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
57.03320	1.4
59.01243	3.6
61.98719	3.0
63.68842	1.5
64.33908	1.4
68.12737	1.4
69.81293	8.7
71.01251	3.1
72.99169	2.7
75.00734	2.7
87.00751	100.0
98.20530	2.8
100.84664	1.5
115.00258	2.3
120.96667	1.6
123.04412	40.4
124.04734	2.1
130.99760	15.3
133.01346	2.1
147.04372	1.6
149.05984	9.6
151.03983	1.7
156.93903	1.5
159.04388	5.4
163.07552	8.6
164.15424	1.6
165.05479	8.2
172.05287	2.6
173.05922	3.6
175.03999	2.5
175.07474	3.5
177.09106	2.2
186.06778	2.6
187.03931	7.9
187.07559	16.5
188.04663	2.8
188.08023	1.9
189.05484	2.7
189.09126	10.2
190.02664	3.5
190.06216	1.9
191.07127	1.6
191.10678	1.7
193.04997	8.9
195.02879	4.9
199.07635	3.7
201.05438	5.6
201.09053	2.5
201.23355	1.5
202.06323	3.2
203.07080	12.0
205.04982	11.0
205.08611	6.1
212.04802	1.5
215.06989	7.4
217.08644	33.3
218.08818	2.6
219.10158	3.8
223.06052	3.1
227.07053	4.6
229.08635	4.2
231.06555	24.2
232.06969	2.0
233.08047	4.8
235.09793	13.4
243.06541	2.1
243.10229	12.6
244.07222	1.9
244.10750	2.1
245.08125	6.7
254.04198	3.1
255.02603	2.2
255.05107	22.6
255.07640	1.2
261.11273	4.5
263.09094	7.8
271.05988	2.5
277.10861	2.0
287.09143	4.6
289.07126	9.0
295.08118	3.3
305.10242	8.7
307.08240	11.0
331.08435	2.0
349.09299	33.7
350.09427	5.2
367.10318	91.5
368.10599	9.7
378.96344	1.7
385.11353	60.5
386.11752	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	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80880	0.3
59.01252	1.6
71.01248	0.6
73.02834	0.4
79.01752	0.4
98.19817	0.6
98.87067	0.4
100.26825	0.3
101.02293	0.4
121.02850	1.1
131.04420	0.3
132.02095	0.5
136.01558	0.8
136.94243	0.4
148.01570	3.8
149.02361	1.8
160.01538	3.4
161.02267	0.5
161.04443	0.5
163.00294	0.5
164.01010	0.5
165.01813	1.4
167.03372	0.5
169.06543	0.4
172.05165	0.4
174.03058	0.5
181.06325	0.3
186.06729	0.4
188.01089	13.1
189.01871	2.3
190.02599	1.0
197.06061	2.1
199.91779	0.4
209.05995	0.8
211.03973	0.5
213.05513	1.6
214.06244	0.9
224.04823	0.6
225.05518	4.1
226.02766	0.4
226.06227	1.0
227.03415	0.8
241.05025	7.8
242.02429	0.4
242.05627	1.1
251.03329	0.6
253.05054	5.3
254.05620	1.5
255.02965	0.6
269.04538	8.2
270.05316	2.9
280.03867	0.5
281.04523	1.6
283.02612	0.6
283.05597	0.4
283.60910	0.4
284.07101	0.5
296.03207	1.4
297.04037	20.1
298.04819	86.6
299.01779	0.4
299.05179	7.5
311.05811	1.7
312.06369	3.8
313.07184	10.3
314.07605	0.7
335.05591	0.6
344.05365	7.6
345.05710	1.1
349.07281	2.1
350.07944	6.1
351.08456	0.9
365.10306	2.0
366.10986	0.4
368.09006	13.8
368.13693	0.7
369.09366	1.5
383.11356	100.0
384.11694	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16134	1.8
57.03324	6.7
59.01252	6.0
64.75805	1.8
67.30565	1.8
69.03322	3.2
73.02828	2.5
78.09487	2.2
85.02834	4.1
87.00760	25.5
93.03352	2.9
94.91759	1.9
97.06458	4.9
101.02334	14.3
109.02851	3.7
119.04929	3.0
122.03625	2.6
122.65806	1.8
123.04424	3.0
130.99748	4.3
135.04425	2.1
139.03999	2.2
139.86609	2.0
146.03668	3.0
147.04430	27.7
148.05133	3.2
149.05975	4.4
159.04451	19.6
160.05234	4.8
161.02336	2.8
161.06013	6.4
163.07558	4.8
172.05234	36.8
173.04581	3.9
173.06006	42.2
173.09651	2.2
174.03149	3.9
174.06520	5.6
175.03928	9.1
175.07617	11.3
176.04782	11.5
185.06033	2.4
185.09546	2.1
186.06824	14.0
187.03957	8.3
187.07571	30.4
188.04756	2.7
188.08195	4.5
189.05524	17.5
189.09148	8.6
190.06285	22.5
191.05486	5.7
191.10669	2.7
197.06035	13.8
198.06718	6.8
199.07524	3.7
200.04787	6.2
201.05540	25.4
201.09174	83.3
202.09554	5.8
203.07111	7.1
204.07874	33.5
205.08453	2.2
211.07773	3.0
212.08421	3.5
215.07115	34.0
216.07875	32.6
217.08600	4.8
218.05835	2.4
219.10220	35.2
220.10611	3.0
225.09238	7.5
226.09514	2.4
227.07300	2.8
227.10754	51.7
228.11099	5.0
229.08670	11.2
243.10191	2.8
245.08185	3.7
245.11835	69.5
246.12068	5.0
247.09853	2.6
251.12874	3.5
260.07004	2.7
261.11386	4.9
266.92017	2.0
271.09735	14.2
273.07611	4.5
277.14468	6.8
289.10828	100.0
290.11118	10.4
321.13367	5.2
323.11414	5.6
333.09912	6.4
347.11188	4.8
351.10870	18.4
365.12430	60.9
366.12726	6.3
383.13486	61.8
384.13721	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01025	1.0
59.01250	4.6
62.56246	1.0
69.23534	10.6
71.01246	4.0
72.99199	1.2
85.02838	3.4
87.00752	92.1
88.01085	2.5
93.03320	1.3
97.06483	3.2
101.02321	1.9
103.06466	1.1
119.04887	1.3
121.02811	1.5
122.03648	2.3
123.04467	1.6
126.08293	1.1
127.02240	1.1
130.99745	10.0
134.03667	1.3
135.04439	2.7
137.02336	2.0
143.04915	1.5
144.05727	1.9
146.03629	2.5
147.04462	3.3
149.05951	2.1
159.04395	1.6
161.06010	2.1
162.06752	4.4
163.03868	1.4
163.07544	6.4
171.08150	1.3
172.05203	6.3
173.04646	1.5
173.06003	6.3
173.09647	5.6
174.03157	2.6
174.06706	1.4
175.03955	4.2
175.07565	11.5
176.07996	1.3
179.03290	1.6
185.06006	1.8
186.06764	9.0
187.07590	8.3
189.05521	2.8
189.09105	2.7
190.06274	14.8
191.10733	6.8
197.05952	1.3
198.06891	1.5
199.07578	3.1
201.09155	38.3
202.09441	2.6
203.07065	2.7
203.10683	1.6
204.07741	2.5
205.08594	3.2
215.07133	4.0
216.07806	2.4
217.08696	3.6
218.09258	1.3
219.10211	44.6
220.10547	3.4
221.11754	6.2
227.10716	11.6
229.08687	5.2
233.08199	2.6
233.11766	19.8
243.10301	6.6
244.10645	1.6
245.08112	3.0
245.11612	2.2
247.09711	3.3
251.13040	2.0
255.05042	1.4
259.09726	1.8
259.13480	2.8
261.11295	6.4
265.11288	1.3
271.09744	7.0
273.07755	4.4
275.12808	3.3
285.11499	1.7
289.10843	5.4
291.08698	3.7
295.09656	1.3
303.09149	1.2
303.12460	4.6
305.10406	2.1
323.11469	4.4
333.09903	3.5
339.08609	1.2
350.10196	1.4
351.10840	18.7
352.11316	2.4
365.12396	100.0
366.12744	10.8
383.13498	64.5
383.18481	2.4
384.13739	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	383.1346
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
59.01252	3.3
59.65218	0.4
67.49981	0.4
71.01228	0.6
71.04884	0.6
71.55264	0.5
79.05385	0.6
81.03336	0.7
83.04906	1.7
85.02841	0.8
87.00753	22.6
90.17856	0.4
91.05417	0.6
93.03341	4.5
95.04903	2.1
97.06470	43.6
98.06821	1.6
98.20499	1.2
103.05428	1.0
105.03346	2.1
107.04906	12.3
108.02080	1.6
109.02895	0.7
111.00816	0.7
111.04411	6.6
112.05204	1.5
113.05975	1.7
119.04894	3.7
121.02847	84.0
122.03662	29.8
123.04478	6.2
124.01562	0.7
125.02364	0.5
128.01060	1.0
130.04117	0.7
130.99754	1.0
133.06470	0.7
134.03618	0.9
135.04431	5.1
137.02341	4.8
138.02512	0.6
138.41336	0.5
139.03899	1.9
145.02861	1.9
145.06487	1.2
146.03600	0.6
147.04420	33.0
148.01556	0.9
148.05229	11.5
149.02388	4.1
149.05907	1.8
150.03139	1.0
161.02319	0.8
162.03105	0.7
163.03923	27.2
164.04704	11.7
165.05518	4.2
175.07605	0.8
179.03389	0.5
180.04247	0.6
191.03435	14.3
191.10680	0.7
192.04218	9.6
193.04964	1.9
201.09116	3.7
205.01320	0.7
217.08701	0.6
219.10190	4.8
223.13393	1.0
253.03391	0.9
261.11368	2.9
267.12354	0.8
289.10855	4.8
291.08737	1.9
307.11902	1.0
321.13470	1.4
323.11349	17.0
324.11679	1.9
351.10873	6.8
365.12079	0.9
366.06015	0.8
383.13474	100.0
384.13797	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
59.01252	7.3
60.99178	3.0
61.72761	0.6
67.01758	7.9
69.03323	2.6
69.55570	4.9
71.01244	5.8
72.99185	3.1
73.02827	1.1
75.00732	0.6
81.03338	2.5
83.01253	1.2
83.04911	1.9
85.02818	9.4
87.00753	47.9
88.01075	1.4
89.02329	1.2
89.13516	0.7
93.03337	49.9
94.03680	1.8
97.06463	0.9
99.00781	2.1
101.02313	1.6
105.03349	1.3
107.04906	0.8
109.02809	3.4
111.00783	1.1
111.04390	8.3
113.02328	1.7
113.98957	0.7
119.04877	1.0
121.02855	3.6
122.03635	1.1
123.00787	1.4
123.04401	5.6
124.01559	2.7
127.00254	0.8
127.03899	2.2
129.01825	1.2
130.99736	2.4
133.02843	6.8
133.98051	0.7
134.03619	2.0
135.04430	3.1
137.02350	5.9
137.06018	4.0
139.03928	2.3
146.03639	1.0
147.04419	2.2
148.01585	0.8
149.02348	2.3
149.06001	2.3
150.03130	18.0
151.03716	1.5
153.01826	1.1
155.03386	4.9
159.04445	2.4
163.03981	1.6
163.07605	1.4
165.05493	11.4
168.34712	0.7
172.05228	1.7
173.04477	100.0
174.04842	2.4
175.03958	2.3
175.07565	2.7
176.01082	0.8
177.01854	1.1
179.03401	1.1
186.06847	1.3
187.07581	1.9
188.04697	1.2
189.04059	1.0
189.05547	1.4
190.06328	5.5
191.05542	82.7
192.04337	1.4
192.05818	4.3
193.05026	2.4
194.02113	3.6
200.04720	0.8
201.05511	1.0
201.09172	6.2
202.09415	0.7
203.07047	1.0
204.04247	0.8
204.07965	1.3
207.05127	0.9
209.04495	33.7
215.07121	1.4
215.10693	0.8
217.08643	1.5
219.06668	1.3
219.10213	10.8
220.10667	0.8
227.10652	1.4
229.08733	1.8
233.08310	0.9
233.11784	0.8
245.08252	1.0
245.11784	1.6
247.09607	1.2
254.84171	0.9
255.04999	4.1
259.09686	0.8
273.07706	2.0
280.39398	0.9
289.10724	1.6
323.11285	1.3
333.09818	1.6
339.08704	0.8
351.10721	5.4
365.08417	1.1
365.12421	4.8
367.10382	1.0
383.09689	10.2
383.13617	7.5
384.09872	1.2
384.14084	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	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24900	1.4
59.01255	9.4
64.11005	1.2
69.03344	1.9
71.01268	6.9
71.54041	2.3
81.03337	1.3
83.01250	1.8
85.02828	3.0
87.00759	100.0
88.01089	1.5
89.02335	2.8
93.03349	4.5
95.01283	1.9
97.06485	2.9
99.00768	3.2
101.02332	3.4
107.04919	3.8
108.02090	2.7
109.02852	2.6
111.00774	3.3
112.98700	1.9
113.02370	2.5
115.00271	1.7
118.40381	1.3
119.03367	1.4
119.04906	3.4
121.02872	7.3
121.50297	1.2
123.00813	2.0
123.04429	7.8
130.99770	13.6
134.03680	1.5
135.04402	3.0
137.02347	4.3
137.05957	1.5
145.02861	4.0
146.03635	2.6
147.04442	6.1
148.05212	3.0
149.05952	9.7
151.00273	1.7
151.03893	2.3
153.01831	2.8
159.04398	2.6
161.02351	8.7
161.04462	1.5
162.03116	3.8
162.06821	2.0
163.03877	6.5
165.05504	2.5
172.05150	1.8
173.04541	3.3
173.05949	2.8
173.09673	2.7
174.03220	3.1
174.04817	2.1
175.03912	3.6
177.01962	1.8
177.05458	1.8
179.03413	3.3
179.07057	1.5
180.04202	3.2
181.05051	1.4
187.03958	1.9
187.07593	4.6
189.01906	3.8
189.05508	2.0
189.09274	2.4
189.12769	1.5
190.02641	2.7
191.03601	1.3
193.05014	4.3
194.02119	1.8
195.02943	1.4
199.03954	1.5
201.09193	6.1
203.03404	1.8
204.07597	1.3
205.01344	2.9
206.02243	2.7
213.09190	1.4
217.08542	1.7
219.10194	3.6
227.10678	1.8
229.08618	2.5
231.03069	1.5
233.11836	3.7
245.11774	1.9
251.07327	3.1
259.09903	2.1
265.10931	1.4
273.07642	1.7
277.11041	1.6
282.02158	1.3
295.09528	2.3
303.08829	1.7
321.08215	2.1
333.09561	2.8
338.61441	1.5
339.16293	1.5
350.09875	2.2
351.10928	5.4
353.02902	1.7
365.08676	4.1
365.12692	3.3
383.04080	4.1
383.09442	5.8
383.13950	5.3
384.09973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49800	3.8
57.03336	5.0
59.01252	14.0
69.03337	4.2
69.24171	20.8
69.24582	12.4
71.01259	12.3
72.58216	3.9
72.99195	11.2
85.02847	4.0
86.50632	3.4
87.00754	100.0
91.05414	4.2
95.04893	5.1
97.06495	9.2
101.02342	4.1
103.16686	3.4
106.43959	3.6
109.02864	5.6
111.00819	6.0
117.03321	4.7
117.40231	4.1
119.04919	7.9
121.02804	3.6
123.04404	7.8
128.01070	11.8
130.99733	17.4
135.04410	11.2
135.07986	4.5
145.02856	7.9
146.03622	8.0
147.04442	12.2
149.06026	13.6
151.03972	5.7
159.04417	10.8
160.05116	4.2
161.02318	6.0
161.05936	5.4
162.03165	4.2
162.06766	5.4
163.03928	35.8
163.07503	4.3
171.08215	4.5
172.05177	15.0
173.06001	17.1
174.03183	5.5
174.06741	4.8
175.03873	10.3
175.07559	14.7
177.05553	4.0
180.04387	6.5
183.00175	3.9
185.05956	8.8
186.06815	8.6
187.03949	4.0
187.07596	16.5
188.04718	7.2
189.01842	5.1
189.05440	11.4
189.09169	10.4
190.06294	19.5
193.05110	4.6
197.05943	5.9
199.07603	11.3
200.04736	6.5
201.05461	10.1
201.09178	28.0
203.07109	8.9
204.07875	4.1
207.02924	9.6
214.06332	8.8
215.07045	15.5
215.10712	8.6
217.05037	5.1
217.08618	13.2
218.05873	4.2
219.06586	7.3
219.10217	28.9
225.09224	5.1
229.08661	13.1
233.08226	7.0
243.10201	28.2
244.10672	5.3
245.08189	9.5
259.09760	9.5
261.11261	6.8
273.07819	4.9
287.09399	5.7
303.08630	6.5
333.09818	6.7
349.09250	6.0
350.10025	5.0
351.10904	20.4
365.12543	5.7
383.10242	4.5
383.13580	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1345
Annotation	Desmodin
Peak:m/z	Relative Intensity
51.48504	0.3
57.54962	0.4
59.01243	0.7
67.32970	0.3
68.80639	0.4
71.41084	0.7
87.00738	0.4
95.33293	0.4
110.68392	0.4
115.89996	0.4
116.26349	0.3
119.80511	0.3
133.02797	0.6
134.03658	0.5
139.62987	0.4
149.06041	0.5
160.01579	0.6
175.03914	0.6
187.03940	0.5
188.01143	0.6
212.04634	0.6
217.05051	1.1
239.03412	0.7
240.04298	0.6
254.05881	0.4
255.02933	1.1
267.03107	0.5
268.03696	4.0
269.04108	0.7
279.06570	0.5
279.10159	0.5
280.03586	0.5
281.04556	1.5
282.05243	1.7
283.05923	0.5
293.04559	4.3
295.09616	0.5
296.03119	0.5
300.02869	0.4
305.04663	0.7
308.03323	0.7
308.06876	1.2
309.03934	1.1
310.04877	1.4
311.05484	0.5
314.04202	0.9
321.04025	3.7
323.05563	8.4
323.09146	38.4
324.06042	0.6
324.09497	4.3
336.10092	0.7
337.10815	12.1
338.11203	1.2
342.03751	1.2
349.10855	0.7
351.08734	34.4
352.09073	4.0
358.06931	0.8
365.10284	33.3
366.10934	14.1
367.11453	1.3
381.13434	100.0
382.13776	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17052	0.7
59.01250	100.0
60.01582	1.0
71.01247	2.5
72.37167	1.0
73.02817	1.3
87.00757	1.0
88.81528	0.8
89.02322	1.6
101.02312	1.9
113.02348	1.4
119.03413	0.9
131.34521	0.8
171.69447	0.9
179.05493	1.1
289.64548	0.8
341.10925	1.6
349.24124	1.1
385.09174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76446	1.8
56.84058	1.8
58.66017	1.8
59.01252	10.3
59.78956	1.9
69.83203	4.7
69.83589	5.1
71.01263	5.4
73.02802	2.6
74.80750	1.9
75.52554	1.9
77.59520	2.1
85.02812	11.2
87.00761	22.6
89.02283	2.3
93.03342	14.5
93.66643	1.9
96.97899	2.0
101.02306	3.5
105.03324	8.4
109.02864	5.0
111.04395	9.7
113.82024	2.3
121.02877	4.4
123.00810	4.1
123.04395	4.7
124.01556	13.7
133.02859	42.8
133.08755	2.0
134.03629	6.8
135.04381	4.6
136.01559	2.7
137.02362	4.7
137.05997	4.2
139.03900	8.4
149.02336	8.9
149.05980	6.8
150.03140	83.2
151.03583	3.6
153.98901	2.0
155.03314	4.4
165.01895	2.4
165.05499	22.5
166.02477	2.0
173.04506	31.4
177.01863	3.6
191.03781	4.8
191.05544	100.0
192.05840	2.7
193.05009	10.2
194.02162	15.4
197.93677	2.4
201.09030	2.2
209.04506	88.5
210.04807	7.2
300.82501	2.6
365.08749	2.5
383.09766	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	381.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.6
59.01250	5.2
60.09242	1.2
60.99165	2.2
63.98680	1.1
65.29818	1.1
67.01749	4.1
67.06348	1.1
67.92741	1.3
68.99702	1.1
69.03329	1.7
70.02861	2.1
71.01260	5.8
71.31066	1.2
72.99158	1.3
78.95782	1.5
79.95618	1.5
80.96399	1.6
83.04901	1.5
85.02825	2.9
87.00755	32.4
93.02766	2.2
93.03340	35.5
94.03632	1.1
96.99184	1.4
97.06464	4.1
97.28378	1.1
99.00727	1.3
99.04401	1.5
101.02249	1.7
107.04889	3.7
108.02075	1.1
109.02843	2.3
111.04391	4.7
117.03339	14.2
119.04934	3.3
121.02844	36.6
122.03613	3.4
123.00787	1.8
123.04401	3.6
125.02361	1.0
129.01836	2.5
130.99745	3.2
133.02892	2.6
134.03549	2.0
135.04427	11.4
136.01520	1.7
137.02322	3.8
145.02852	100.0
146.03665	21.0
147.04437	10.5
148.01527	2.2
149.02339	2.2
149.05965	3.2
151.03900	1.8
159.04390	4.3
160.01707	1.2
161.02296	3.8
161.05925	1.4
162.03145	3.0
163.03915	59.1
163.07524	1.6
164.04701	34.9
165.05356	4.8
173.04498	21.4
173.05971	2.7
174.03145	2.5
175.03972	2.5
175.07530	1.9
177.01764	1.5
177.05453	3.7
179.03452	2.2
180.04149	1.5
185.05960	2.2
186.06813	1.7
187.03964	2.9
187.07582	2.8
188.04707	9.2
189.01851	4.9
189.05376	2.2
189.09079	4.3
190.02620	1.4
191.03561	1.2
191.05545	5.4
191.07028	1.4
191.10649	4.2
192.04224	1.5
193.04982	2.3
195.53008	1.3
199.07576	7.0
201.05478	2.3
202.06172	1.9
203.07068	1.8
205.01299	1.3
205.08636	3.1
207.10201	6.5
208.03529	1.2
213.05548	1.2
214.06281	3.6
215.10701	4.7
217.08624	11.4
219.10146	1.6
221.04427	1.8
225.09387	1.6
231.06625	2.0
233.08173	1.9
233.11748	1.4
243.10228	33.0
244.10492	2.6
249.07658	1.9
261.07684	3.2
261.11292	3.9
263.12894	1.4
275.12781	6.4
287.09167	6.9
293.74271	1.1
305.10208	3.0
319.11761	1.1
331.73569	1.3
346.81863	1.1
349.09225	10.1
350.09662	1.3
363.10843	14.1
381.11823	30.9
381.15787	8.9
382.11929	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60364	0.8
59.01253	100.0
59.03523	0.7
62.92738	1.0
65.60425	0.7
69.24203	6.9
78.95774	2.0
79.48850	0.8
138.02399	1.0
167.15776	0.8
225.82159	0.9
245.36356	0.8
326.32941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59854	0.6
59.01241	2.1
69.99559	0.4
71.53045	1.0
73.96495	0.6
78.95773	0.8
87.00758	0.7
93.61218	0.5
99.99421	0.6
118.92851	0.5
119.01282	2.1
121.02853	1.2
134.40974	0.5
135.00728	0.6
138.17407	0.5
141.04866	0.6
151.00262	1.3
155.04918	0.7
159.04471	0.5
161.14345	0.5
166.38251	0.6
171.04369	0.7
183.04419	2.0
187.03943	1.0
199.04025	0.6
211.03937	1.7
227.03447	0.6
255.02968	100.0
256.03311	9.1
271.25427	0.5
283.02475	33.6
284.02997	4.4
307.19284	0.6
381.09784	88.9
382.10181	12.4
382.14908	1.1
404.81042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57454	1.5
59.01247	5.5
69.94261	4.2
69.94646	3.5
71.01247	3.1
85.02817	7.8
87.00739	7.1
93.03347	3.5
97.06400	1.8
99.00739	2.6
113.73396	1.6
114.30181	1.7
119.04887	1.7
128.01030	4.0
129.01820	3.9
135.04492	2.2
147.04420	3.1
149.02242	1.9
159.04411	2.1
160.01602	4.0
161.02321	2.4
161.06009	3.1
172.05212	3.9
173.06003	68.2
174.06439	4.1
175.03870	7.5
181.10138	2.2
183.04462	21.0
183.11833	3.9
185.09628	2.0
186.06784	56.3
187.07570	39.8
188.07892	2.5
193.05005	3.3
196.05162	4.0
197.06009	16.6
198.06686	3.8
199.07538	5.5
199.11241	4.0
201.09149	5.8
207.91638	2.3
208.88155	1.8
209.09702	12.9
209.11407	2.8
211.07571	3.9
212.08266	4.0
215.14363	3.7
220.11011	12.0
225.09145	3.7
227.10727	100.0
228.11041	7.7
231.10562	2.1
259.13388	56.5
260.13657	5.5
271.09756	57.5
272.10056	4.7
303.08844	3.7
303.12366	36.4
304.12683	4.3
315.08569	2.2
335.14810	3.8
347.11353	59.6
348.11685	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04102	2.3
58.00476	3.7
59.01255	100.0
66.17407	2.6
69.22455	16.5
69.22878	9.3
71.01257	73.3
72.99201	6.9
73.02824	13.8
75.65134	2.1
83.01250	5.1
83.38699	2.6
85.02838	14.5
87.00747	8.9
89.02322	92.8
94.93147	2.5
97.02859	3.9
99.00776	16.9
101.02334	57.3
113.02339	31.2
119.03408	31.6
125.02362	5.1
131.03363	13.6
138.99625	4.0
140.26997	2.8
143.03427	7.2
149.04468	24.9
152.01050	6.9
161.04514	10.6
163.03804	3.9
179.05573	15.0
187.03966	6.6
188.04718	7.8
191.05598	4.5
193.00781	2.8
199.09737	4.6
234.70477	3.0
247.11879	20.1
319.13806	3.3
379.16019	45.4
379.20389	3.5
380.09497	3.3
380.16495	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.53686	1.9
58.00462	4.7
59.01254	98.7
69.03309	3.8
71.01254	75.4
71.52769	1.8
71.53229	2.2
72.99182	5.2
73.02811	21.2
75.00751	2.5
76.74812	1.6
83.01255	3.0
85.02835	13.3
87.00739	4.4
89.02320	100.0
90.02632	2.2
93.03332	2.3
95.01279	2.9
97.02819	2.3
99.00762	23.4
101.01699	3.3
101.02328	49.0
108.02085	2.8
112.08287	1.4
113.02335	23.0
115.03900	1.6
119.03403	19.6
125.02318	3.5
131.03409	15.9
143.03386	2.3
149.04468	39.4
152.00998	2.0
159.04424	1.9
161.04428	4.7
163.03902	1.9
179.05536	7.0
191.05597	12.7
215.07045	1.7
234.49129	1.7
247.11771	3.6
279.58493	1.6
335.13174	2.7
379.11584	2.8
379.16098	30.1
379.20380	1.6
380.16565	3.9
381.81042	1.7
383.26590	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	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44256	0.5
54.48784	0.7
59.01255	12.0
65.78455	0.6
71.01244	1.7
71.54472	0.9
85.02839	0.7
87.00741	1.6
95.01233	0.6
97.06470	0.8
101.02349	1.0
108.02009	0.6
109.02871	1.0
132.02069	20.8
133.02902	4.3
134.03638	20.0
136.01550	0.7
137.02333	1.3
147.04433	1.2
149.06004	4.9
160.01576	94.9
161.01909	6.4
173.45377	0.7
174.03102	1.2
175.03928	100.0
176.04279	5.9
178.02650	1.4
185.05917	0.7
186.05176	0.7
189.05516	0.9
190.06239	0.9
193.05002	23.7
194.05302	1.3
202.02753	1.1
217.04976	2.7
247.05994	1.1
291.10254	1.2
319.08148	0.8
361.05542	1.2
364.07898	2.5
371.86853	0.6
379.10345	28.5
380.10510	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	379.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07977	1.5
59.01250	4.5
59.60046	1.6
69.38876	14.0
71.01257	3.7
85.02834	4.2
87.00768	5.2
93.03322	3.9
108.89370	1.9
111.00824	1.6
116.01739	1.4
118.05424	1.7
119.04886	2.6
121.02823	2.7
121.06474	2.4
125.60661	1.6
147.04439	2.7
149.05989	1.9
158.98625	1.7
159.04398	3.5
161.02414	1.7
161.05977	3.9
171.08055	2.9
172.05283	2.2
173.05988	23.9
175.03938	3.6
180.05666	2.2
181.10181	2.5
183.04439	30.8
183.11739	5.1
185.06076	2.0
185.09619	2.3
186.06793	39.0
187.07550	30.9
193.04993	2.4
196.05238	2.0
197.06053	13.6
198.06792	6.4
199.07506	9.5
199.11250	4.6
201.09174	6.7
209.09665	13.0
210.10123	1.8
211.07625	3.7
212.08414	4.4
215.07149	2.0
215.10773	1.9
215.14333	8.6
218.45346	1.3
220.10947	10.4
225.09317	1.6
227.10730	100.0
228.11076	8.7
231.13847	4.4
234.09770	1.7
234.35455	1.6
241.12302	7.6
247.09669	1.6
253.08577	2.0
259.13379	72.4
260.13702	6.1
271.09741	58.3
272.10153	3.4
303.09030	2.6
303.12360	73.4
304.12692	5.9
347.11346	76.3
348.11603	8.6
379.10059	2.9
379.17938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.1
69.03310	0.5
71.01250	1.2
71.54522	0.4
85.02821	1.2
87.00752	0.6
97.06463	0.6
99.00819	0.5
101.02341	0.5
105.03302	0.5
117.03343	1.1
117.80269	0.5
123.04519	0.5
126.97578	0.4
132.02069	22.4
133.02928	2.4
134.03627	18.4
136.01547	0.9
137.02367	0.9
147.04465	1.0
149.05983	4.6
150.05923	0.4
155.03484	0.5
159.04430	0.5
160.01572	89.9
161.01897	4.0
174.03160	0.5
175.03926	100.0
176.04256	5.6
177.01857	1.4
178.02641	1.4
178.33348	0.5
189.05389	0.7
191.06989	1.1
192.04170	0.7
193.04984	24.1
194.05341	0.9
200.04819	1.0
202.02654	0.8
207.06660	0.5
217.05000	2.1
233.08118	0.8
319.08087	0.9
330.42264	0.5
347.25885	0.5
361.05234	0.6
364.08029	1.6
379.10327	26.4
380.10782	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	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85947	0.6
59.01254	12.3
65.00170	1.2
69.28780	6.0
71.01262	1.1
73.02814	0.8
79.83977	0.6
85.02831	0.9
87.00726	0.9
97.06470	0.9
117.03334	0.7
121.02825	1.0
132.02068	20.7
133.02908	3.6
134.03641	18.3
135.03947	0.7
137.02348	1.3
149.06017	5.9
160.01570	90.8
161.01929	4.2
169.53951	0.6
174.03133	0.8
175.03928	100.0
176.04276	6.4
177.01868	1.4
178.02626	0.9
189.05476	1.1
191.07037	0.8
193.04980	22.0
194.05304	1.0
201.01961	0.9
202.02603	1.2
203.03236	0.7
217.05058	2.0
232.03831	0.7
243.02922	0.6
247.06111	1.0
271.02557	1.1
299.02084	0.9
319.08069	1.4
329.06949	0.7
333.06168	0.9
351.61591	0.6
361.05798	1.1
364.08011	1.2
379.10370	25.4
380.10788	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	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	0.7
59.01251	11.3
65.00138	0.4
69.84916	0.5
71.01263	1.0
73.96232	0.4
74.73012	0.4
75.27468	0.4
101.02334	0.7
105.03331	0.6
117.03342	0.5
123.04403	0.4
132.02066	23.7
133.02901	2.8
134.03633	18.5
135.04022	0.7
136.01596	0.5
137.02312	0.7
137.46375	0.5
147.04390	0.8
149.06012	4.1
151.03865	0.7
160.01570	89.1
161.01897	4.3
174.03160	1.0
175.03925	100.0
176.04250	5.4
178.02635	1.0
193.05000	23.7
194.05266	1.2
202.02654	0.6
202.64569	0.5
203.07050	0.7
205.05025	0.5
214.06276	0.6
217.04993	1.9
233.08099	0.5
319.08099	0.9
361.05508	0.6
364.08084	1.9
379.10339	26.2
380.10672	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00827	0.4
59.01250	9.7
71.01261	0.8
77.03810	0.4
80.80985	0.4
81.64317	0.4
84.63012	0.4
89.03880	0.4
105.03320	0.4
109.60766	0.4
117.03356	0.5
121.02889	0.5
132.02065	22.9
133.02901	3.6
134.03633	19.7
135.03978	0.8
136.01578	0.7
137.02356	1.0
146.03642	0.6
149.05991	4.6
150.06247	0.4
151.03896	0.6
152.37680	0.4
159.12131	0.4
160.01570	93.9
161.01901	5.4
162.03055	0.4
172.05266	0.4
174.03136	0.9
175.03923	100.0
176.04271	6.4
177.01863	1.3
178.02647	1.5
189.05501	0.9
190.06291	0.6
191.07043	0.8
193.04988	23.3
194.05370	1.7
202.02663	1.0
217.05006	1.6
218.05685	0.5
225.05618	0.4
231.06877	0.5
233.08150	0.5
247.06105	0.6
319.08450	0.6
364.08054	1.8
379.10327	28.3
380.10715	2.3
381.33517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.7
70.21265	1.2
71.01254	1.2
85.02834	1.1
89.03864	0.4
97.02876	0.5
105.03349	0.8
108.84418	0.3
113.02322	0.7
117.03378	0.7
119.04915	0.4
123.04388	0.5
125.02365	0.4
132.02072	26.1
133.02917	3.5
134.03638	18.4
135.03940	0.6
136.01601	0.5
137.02339	0.4
147.04466	0.6
149.05989	4.6
150.06256	0.4
151.03969	0.7
159.04443	0.4
160.01573	91.6
161.01881	4.6
162.03201	0.3
166.74673	0.3
171.04265	0.3
172.05214	0.4
174.03142	1.3
174.16119	0.3
175.03925	100.0
176.04251	5.5
177.01880	0.8
178.02640	1.5
189.05479	0.8
190.06276	0.5
191.07068	0.5
192.04266	0.5
193.04994	23.7
194.05327	1.6
200.04689	0.7
202.02647	0.8
215.07063	0.3
217.04996	2.0
231.06569	0.3
233.08228	0.5
247.06273	0.5
259.06000	0.5
294.20932	0.3
319.08026	0.8
364.07883	1.6
370.26205	0.3
379.10336	25.9
380.10626	3.0
397.77420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.5
67.66921	0.3
69.03325	0.3
71.01247	1.4
73.02805	0.5
82.77586	0.3
83.01264	0.6
85.02798	0.5
105.03337	0.5
108.02068	0.5
119.04956	0.5
123.04432	0.4
125.02421	0.4
132.02068	23.9
133.02924	3.5
134.03635	18.4
135.03923	0.5
136.01596	0.5
137.02312	0.6
142.26566	0.3
144.84297	0.3
146.03563	0.4
147.04434	0.9
149.06000	5.0
150.06268	0.3
151.03909	0.7
160.01576	91.0
161.01909	4.5
161.05969	0.4
162.03195	0.3
174.03209	0.8
175.03932	100.0
176.04289	5.9
177.01857	0.9
178.02640	1.4
187.03920	0.3
190.06288	0.4
191.07123	0.6
192.04333	0.3
193.05002	25.2
194.05310	1.4
200.04771	0.6
202.02618	0.9
215.07072	0.5
217.05014	2.0
231.06609	0.4
233.08156	0.4
247.06085	0.4
259.06119	0.5
319.08295	0.8
364.07971	1.8
379.10336	30.1
380.10608	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	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16374	0.7
51.54663	0.6
58.12197	0.6
58.39563	0.6
59.01252	9.4
62.25650	0.6
65.00198	0.7
68.99655	0.7
69.76567	3.1
71.01239	1.3
79.98067	0.6
84.07546	0.6
95.01223	0.6
98.19804	0.8
113.02274	0.7
121.02859	1.1
123.04507	0.6
125.02308	0.6
132.02068	24.8
133.02951	2.8
134.03635	19.2
147.04454	1.1
149.05988	6.0
151.03830	1.0
157.82886	0.6
160.01569	95.6
161.01895	4.5
174.03101	1.1
175.03920	100.0
176.04236	5.2
177.01848	0.8
178.02582	1.0
193.04999	24.9
194.05356	1.7
202.02678	1.1
213.05450	0.9
217.05081	2.0
225.09087	0.7
245.08214	0.7
259.06058	0.8
313.49738	0.7
364.08014	2.0
379.10355	29.1
380.10773	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	379.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.7
71.01254	1.2
71.54472	0.8
80.96400	0.9
85.02836	0.9
97.06512	1.0
106.92456	0.8
117.03336	0.9
132.02069	24.6
133.02800	3.0
134.03645	17.8
147.04433	1.3
149.05989	4.1
160.01573	89.8
161.01913	3.5
174.03090	1.4
175.03923	100.0
176.04288	5.3
178.02612	2.3
187.07727	0.9
191.07178	0.7
193.03476	0.8
193.04993	23.1
194.05292	1.2
212.87361	0.8
217.05013	1.9
233.08189	1.2
235.06070	0.7
267.46567	0.7
361.05457	2.0
364.08121	1.9
379.04794	2.6
379.10333	25.8
380.10562	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	379.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13102	0.3
52.89416	0.4
58.00409	0.4
59.01250	11.1
69.90109	1.8
71.01249	1.2
85.02809	0.9
97.02814	0.5
97.06470	0.9
101.02383	0.6
111.42529	0.4
116.43700	0.4
117.03316	0.6
119.04935	0.5
123.04462	0.4
125.02361	0.9
132.02065	26.2
132.83224	0.4
133.02907	3.7
134.03629	18.2
135.04184	0.5
136.01535	0.5
137.02293	0.9
147.04398	1.0
149.05998	4.6
151.03893	0.7
151.23601	0.4
160.01572	94.8
161.01898	5.2
174.03093	0.8
175.03923	100.0
176.04272	5.5
177.01846	1.2
178.02695	1.4
189.05487	0.7
191.07063	0.9
193.04993	24.3
194.05312	1.3
197.74394	0.4
200.04701	0.6
202.02684	0.7
203.03288	0.5
213.05446	0.7
217.04955	2.2
225.72176	0.4
231.06560	0.5
233.08218	0.6
319.08105	0.9
361.05594	0.5
364.07843	1.7
372.20447	0.4
379.10345	27.7
380.10760	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	379.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	12.6
65.81239	0.5
69.23528	4.4
71.01254	1.1
85.02821	0.6
87.00766	0.4
87.02067	0.4
98.20535	0.8
101.02306	0.9
105.03346	0.6
117.03388	0.7
123.04410	0.7
132.02068	22.9
133.02931	3.1
134.03636	18.9
135.04013	0.6
137.02299	0.8
145.02777	0.6
149.05986	5.1
151.03923	0.6
159.04404	0.6
160.01572	94.8
161.01906	5.1
174.03148	0.8
175.03928	100.0
176.04265	5.3
177.01857	1.2
177.68973	0.5
178.02612	1.8
183.81017	0.5
189.05481	0.5
193.05002	22.1
194.05309	1.0
200.04781	0.9
201.09053	0.5
202.02637	1.5
204.04057	0.6
213.05383	0.5
215.07057	0.5
215.10612	0.5
217.05017	1.7
233.08223	0.8
310.66345	0.5
319.08090	0.8
364.08011	1.7
379.10358	24.5
379.20920	0.8
380.10672	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	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21592	5.0
54.65266	5.9
56.23489	6.2
56.33998	4.9
59.01250	41.7
71.01254	25.9
80.18121	6.7
81.31026	5.7
89.02328	29.3
101.02348	14.7
113.02332	10.1
119.03354	14.4
152.00938	6.7
179.05515	20.4
202.88091	5.9
215.03246	20.9
341.10968	100.0
377.08667	50.7
377.13098	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	377.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78323	2.9
51.12060	2.9
69.74656	12.3
71.01244	3.1
87.00760	6.4
90.43671	3.2
95.01265	23.7
99.00764	9.4
105.03431	3.1
107.01268	25.4
111.00758	8.1
113.02280	3.9
123.00756	24.7
124.01520	11.6
125.02335	38.1
126.02688	3.5
139.00264	6.7
141.01828	51.9
146.50810	3.0
147.04460	4.9
151.00267	75.1
152.00690	10.9
165.01842	4.5
166.99776	5.3
169.01251	4.9
169.02773	3.1
170.03682	4.4
174.03169	7.9
176.00984	5.9
177.01810	22.2
181.05031	3.6
185.02484	4.9
186.03128	7.9
187.03905	7.3
197.02393	6.8
198.03084	14.2
201.01843	17.0
202.02579	5.5
213.01859	5.4
214.02614	11.5
215.03381	7.9
217.01317	4.0
225.01892	3.3
226.02631	14.8
227.03290	10.9
229.01317	12.5
230.02092	5.9
231.02930	5.6
241.01355	8.1
242.02148	21.8
243.02716	10.3
253.01208	4.0
254.02191	10.9
257.04367	5.4
258.01578	9.5
259.02448	4.5
261.03760	4.2
262.26218	3.5
265.01407	5.1
269.00922	5.0
270.01730	17.7
270.04239	3.4
271.02301	12.4
273.03900	6.3
282.01730	5.8
282.58694	3.3
285.04041	25.2
286.01178	4.7
286.04361	5.8
287.01645	5.3
287.04865	4.5
289.03531	8.7
298.00967	9.5
299.01822	14.8
300.02527	4.0
300.76456	3.5
301.03458	17.5
303.04211	9.0
313.00223	3.5
313.03537	76.2
314.03870	10.2
315.01193	5.6
315.08771	9.6
316.05441	5.1
317.02917	8.0
317.06406	7.2
318.06631	3.6
328.05984	4.4
329.02768	21.1
329.06601	7.1
330.03561	9.5
331.08072	19.7
333.09418	3.8
344.05225	13.8
345.06140	53.3
347.03329	4.4
349.08945	10.1
352.45514	3.3
359.07626	39.7
377.08197	100.0
378.08896	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67619	0.5
56.12997	0.4
59.86148	0.5
62.18617	0.5
69.63459	0.5
70.12949	1.8
74.98953	1.2
79.41991	0.4
86.35255	0.5
90.74169	0.4
92.99992	1.6
109.91759	0.5
119.08295	0.5
121.65297	0.4
149.00874	0.6
159.07158	0.8
159.08383	10.7
160.08588	0.6
161.06281	3.2
177.45747	0.6
180.45300	0.4
192.98125	0.8
209.01151	2.4
217.07135	1.4
218.76833	0.6
275.06137	0.5
277.07443	1.6
289.07547	2.4
291.09097	97.4
292.09238	13.5
309.10226	1.6
326.32559	0.4
343.12207	0.7
357.13708	1.9
359.15344	100.0
360.15512	17.7
375.18472	6.9
376.18707	1.2
377.16333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	40.8
61.98704	2.8
74.90749	2.3
79.77006	2.4
95.04905	3.1
98.19823	9.2
115.25311	2.8
117.92712	2.4
119.82778	2.3
121.10126	26.2
128.06850	2.4
141.54138	2.5
145.58876	2.4
171.10176	67.3
178.65266	2.5
185.11757	3.3
231.21107	3.4
255.02908	3.2
275.20151	100.0
276.20538	9.0
278.11374	11.4
293.21231	66.7
294.21570	7.1
315.19394	38.6
316.19839	4.3
327.01498	12.8
352.64731	3.1
357.06232	21.4
359.18457	4.9
375.07019	4.3
375.21561	25.1
375.29123	3.5
376.21829	4.3
398.90448	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	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21592	5.0
54.65266	5.9
56.23489	6.2
56.33998	4.9
59.01250	41.7
71.01254	25.9
80.18121	6.7
81.31026	5.7
89.02328	29.3
101.02348	14.7
113.02332	10.1
119.03354	14.4
152.00938	6.7
179.05515	20.4
202.88091	5.9
215.03246	20.9
341.10968	100.0
377.08667	50.7
377.13098	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	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23212	2.2
57.03327	13.3
59.01263	14.2
62.27330	2.7
65.00195	2.5
65.21356	2.2
68.39222	2.3
69.03316	5.9
69.57906	18.3
71.01250	3.8
71.05310	2.6
83.04944	2.6
85.02823	6.5
87.00768	3.5
95.01299	2.6
98.20494	2.7
101.02323	19.0
109.02844	5.0
117.40697	2.3
119.04908	3.5
121.02806	5.4
122.03660	4.1
123.00771	4.0
129.03331	2.5
135.04410	7.5
136.98700	8.1
137.02356	10.1
139.00284	3.8
139.03918	4.4
139.11176	3.9
145.02892	3.2
146.03616	8.0
147.04424	57.3
148.05196	13.5
149.05942	4.3
150.45186	2.8
151.00262	8.1
159.04434	29.5
160.05127	7.6
161.05980	22.9
162.06564	3.9
163.03873	10.2
164.04655	9.9
172.05222	48.8
173.05995	73.4
174.03140	10.5
174.06490	5.1
175.03920	5.5
175.07712	3.1
176.04720	10.2
178.06288	2.9
183.04431	3.8
185.06026	6.5
186.06772	13.2
187.03966	12.9
187.07510	13.3
188.04648	6.8
189.05504	37.6
191.03369	3.7
191.10660	3.3
192.04245	10.4
197.05972	24.1
198.06752	11.9
199.07582	3.5
200.04645	15.5
201.05518	28.3
201.09143	3.6
202.05911	3.3
204.04094	5.3
205.12215	6.4
211.07597	9.5
211.13300	3.6
212.08311	5.1
213.05464	4.3
215.03333	3.1
215.07043	12.1
216.07880	25.8
217.04987	3.7
218.05798	4.9
227.03363	3.1
229.12303	28.8
230.02153	3.6
231.13829	11.8
232.03691	4.4
243.13864	67.1
244.14171	4.9
245.04417	3.1
246.12549	30.2
247.13144	4.6
255.03050	11.3
257.11850	35.5
257.14780	3.1
257.15265	2.3
258.12503	8.1
259.17047	3.5
260.06693	5.7
267.13794	6.6
269.15469	92.3
270.15845	8.9
271.02536	3.5
271.13348	8.6
273.03925	4.1
275.22046	3.1
285.04016	4.0
286.04608	3.3
287.13589	2.9
287.16534	81.1
288.16833	9.3
299.01996	16.7
301.03549	6.3
313.03412	6.2
313.14404	21.8
313.17926	5.2
317.01947	2.7
318.03723	7.1
327.01410	38.3
329.06793	6.1
329.17520	13.3
331.08331	4.9
331.15506	65.9
331.19086	3.1
332.15952	6.5
342.03799	7.2
347.18784	4.2
357.06165	100.0
357.17126	6.2
358.06436	12.8
375.10599	6.1
375.14374	31.7
375.18207	30.3
375.27490	7.3
376.18686	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	375.1082
Annotation	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
54.13761	0.5
58.72701	0.5
59.01230	1.6
60.14899	0.4
71.01236	0.5
71.54423	0.9
79.01762	0.5
87.00768	0.6
93.03346	0.5
95.01257	9.1
98.15965	0.5
107.01270	9.7
111.00742	2.1
121.02852	2.3
123.00756	7.0
123.04372	0.5
124.01597	3.0
135.04335	0.7
136.98679	0.9
139.00281	1.5
145.02858	0.6
146.03705	0.5
151.00273	40.2
152.01030	3.4
160.05215	0.8
161.02342	0.7
163.00240	0.8
163.03888	4.4
164.01006	0.6
164.04718	1.6
169.01343	2.2
177.01779	1.3
188.04681	0.8
189.05482	0.8
190.02423	0.6
192.04178	0.8
198.03123	1.5
199.04012	0.6
200.01082	0.6
201.01854	0.8
202.02585	0.7
203.32057	0.5
210.03212	1.5
211.13379	0.6
214.02654	1.0
214.56233	0.5
215.03365	0.5
217.04933	0.7
225.05525	1.2
226.02663	5.1
227.03397	1.5
228.00537	0.6
229.01401	1.2
230.02109	1.0
241.05045	2.0
242.02180	2.8
243.02917	1.3
245.04439	0.7
253.01413	1.0
254.02228	2.1
255.02956	1.9
257.04468	1.0
269.00641	0.8
269.04517	1.8
270.01688	5.6
271.02469	2.7
281.00967	0.9
285.04028	7.0
286.04611	1.4
298.01285	2.7
299.02048	6.3
299.05368	0.9
300.02451	1.0
300.06329	0.6
301.03598	1.0
301.07150	0.6
313.03546	26.2
314.04160	5.5
318.03757	1.0
327.01486	6.1
328.05905	7.4
329.06604	7.4
331.08405	0.9
331.15479	1.4
341.03018	0.7
342.03748	1.6
345.06131	19.4
346.06525	2.1
357.06131	15.8
357.10471	1.0
357.16922	0.7
358.06509	2.2
360.08472	6.3
375.10843	100.0
375.18484	2.5
375.27161	1.3
376.06403	0.5
376.11105	10.8
376.15616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40706	6.9
56.85902	8.2
56.86213	6.7
58.00499	7.7
59.01248	100.0
61.94485	9.3
70.72833	6.7
70.90791	10.3
70.91146	12.6
71.01250	72.4
76.51171	6.8
78.61943	6.5
85.02821	19.8
87.00745	12.2
89.02319	95.6
101.02326	33.2
113.02334	19.0
117.03320	16.2
119.03382	35.2
123.04433	8.2
145.02884	51.2
146.03627	15.1
147.04395	9.6
149.02437	10.5
150.03143	10.4
153.01857	16.4
161.02371	61.4
162.03174	69.6
165.05478	16.1
177.05429	26.7
180.04224	18.9
195.06549	29.1
217.00261	15.3
223.02783	7.3
352.79184	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97343	4.0
59.01250	11.4
61.98709	6.9
71.01244	10.1
71.10566	9.0
87.00777	5.6
88.21110	3.9
89.02329	9.1
90.40261	4.3
99.00766	4.6
101.02334	7.4
113.02324	12.4
119.03366	5.1
119.48984	4.3
123.00742	4.9
125.02365	4.4
131.37526	4.1
140.01067	9.2
141.01869	20.3
145.02861	6.1
146.03738	4.7
149.02383	24.5
150.03110	33.2
153.01765	7.1
161.02321	6.3
161.04425	7.4
162.03114	6.5
164.04668	14.1
165.05489	100.0
166.05788	6.4
177.05531	8.1
194.99332	8.3
195.06580	27.1
291.92664	4.1
303.07205	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	375.0719
Annotation	(6R,6aS,12aR)-6,9,11,11a-Tetrahydroxy-2,3-dimethoxyrotenone
Peak:m/z	Relative Intensity
65.00179	1.5
67.01760	0.9
67.56287	0.5
68.99676	1.4
69.53165	1.2
69.53587	2.0
74.48801	0.5
77.24203	0.6
83.01263	1.1
85.02837	0.4
95.01256	11.5
95.01829	0.8
97.20808	0.5
99.00783	0.6
105.03417	0.5
107.01263	11.5
108.02067	0.7
109.02821	0.6
111.00758	5.7
121.02802	1.0
123.00784	7.3
124.01544	3.3
125.02293	0.8
133.02835	0.6
135.00775	0.6
137.02248	0.6
139.00282	6.7
140.01044	0.5
141.01888	0.6
141.03323	0.6
143.04900	0.5
145.02864	1.4
146.90454	0.4
147.04367	0.6
148.01549	1.6
149.02347	1.1
149.99522	1.1
151.00273	25.7
151.03848	1.0
152.00986	1.2
155.04904	0.6
157.02794	1.3
158.03647	1.4
159.04382	0.6
160.01540	0.5
161.02370	1.1
163.00220	1.7
163.03926	1.0
164.01132	0.6
165.99045	0.6
169.01443	0.8
169.02864	1.5
170.03590	1.3
171.04349	0.6
172.01601	1.1
173.02313	1.8
174.03101	2.1
175.00232	0.9
176.01054	1.7
177.01869	2.9
178.99832	0.6
181.05013	3.2
182.59608	0.5
183.04521	1.0
184.01579	0.6
185.02324	2.8
186.03181	3.5
187.03920	1.9
188.01045	1.3
188.04649	0.6
189.01880	1.2
190.02696	1.8
192.04155	0.8
195.02882	0.6
197.02382	5.6
198.03123	4.4
199.00432	0.6
199.03838	1.8
200.01100	1.5
201.01868	9.3
201.05327	0.6
202.02469	2.3
203.03429	1.7
205.01448	0.6
209.04515	5.1
211.03922	3.5
212.01163	0.7
212.04692	1.1
213.01875	8.9
213.05562	1.0
214.02649	5.0
215.03416	3.1
216.00560	3.4
216.04129	3.3
217.01341	1.4
217.04956	0.7
218.02126	1.0
224.01080	0.8
225.01889	3.8
226.02499	2.3
227.03427	3.6
228.00601	1.1
228.04233	1.0
229.01372	4.5
229.04987	1.7
230.02115	3.0
231.02940	1.5
232.03667	0.6
239.03485	2.2
240.00517	0.6
240.04294	1.4
241.01381	11.6
241.04990	0.7
242.02147	7.2
243.02925	2.6
244.03732	1.4
245.00897	0.9
245.04532	1.1
253.01443	2.6
254.02211	0.5
255.03003	3.7
256.03729	2.7
257.01031	2.5
257.04510	5.0
258.01636	3.5
258.04565	0.7
259.02444	3.8
261.04099	1.0
268.00177	1.4
269.00946	8.2
269.04144	0.8
270.01642	2.7
270.05179	0.7
271.02490	2.8
271.05933	0.5
272.03232	2.5
273.00845	0.8
273.04007	5.3
280.09085	0.5
281.01248	0.5
282.01791	0.6
283.02478	2.8
284.03201	5.1
285.00409	4.8
285.03986	4.2
286.01108	2.1
286.04474	0.9
287.01999	2.4
287.05356	0.7
288.06284	1.2
289.03439	0.7
297.00360	4.0
298.01138	1.0
299.01941	2.9
299.05249	0.6
300.02686	3.7
301.03537	17.7
301.06982	1.0
302.03824	1.3
303.08746	1.4
311.01929	1.6
312.02768	1.2
312.99835	3.5
313.03549	4.6
314.04202	1.4
315.04865	3.2
316.05801	2.2
317.02985	2.6
327.01459	5.7
328.02148	2.2
328.05792	1.2
329.02914	1.2
329.06622	1.3
331.08215	1.9
342.03726	0.9
343.04587	8.2
344.04932	1.1
345.02518	5.8
345.06201	1.0
347.07733	1.9
357.06082	9.9
358.06586	0.8
360.04892	1.0
375.07181	100.0
376.07480	8.2
388.57190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1244
Annotation	Tiagabine
Peak:m/z	Relative Intensity
56.16182	0.4
57.03330	0.5
59.01235	2.1
61.98683	0.5
71.01253	0.6
85.02773	0.7
85.56128	0.5
85.74223	0.5
87.00739	1.0
94.06477	0.5
97.06467	0.6
98.19740	1.0
111.71996	0.5
113.25885	0.5
122.05986	1.5
123.06355	0.7
132.04428	2.1
133.04752	1.7
135.04358	0.6
145.02888	0.9
146.03571	0.7
147.04362	0.6
149.06001	1.5
151.07520	1.1
152.07077	2.6
153.07376	1.6
159.04445	0.5
160.03999	0.6
160.05237	1.1
161.05952	0.8
164.55519	0.5
173.04517	0.5
174.05487	1.4
176.07111	0.7
184.03973	0.6
185.04605	1.0
186.05428	0.6
197.04735	2.7
198.05487	5.6
199.06212	1.5
200.07047	1.7
201.05615	0.5
201.07779	0.8
210.05585	1.1
211.06223	2.3
212.07114	14.6
213.07735	3.6
214.08640	7.9
215.09233	1.0
224.07077	2.9
225.07805	1.6
226.08676	31.8
227.09111	2.6
228.10268	8.7
228.13824	0.7
229.10555	0.7
238.08658	1.2
239.09424	0.9
240.10307	5.5
240.13811	0.6
241.10904	1.4
242.08264	2.3
242.11821	3.6
243.08862	1.6
243.12488	1.6
245.10518	1.4
246.11320	1.4
254.11826	2.0
256.10391	0.6
256.13397	12.1
257.10397	0.5
257.13663	1.6
258.14944	1.2
266.11792	0.5
268.13416	3.7
286.14484	72.6
287.14792	7.4
298.12805	1.2
305.65085	0.6
312.12442	0.9
330.13467	100.0
331.13809	10.0
342.11752	5.2
356.11490	1.7
357.17084	1.2
374.12473	17.3
374.16641	0.6
375.12503	1.5
375.17914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1246
Annotation	Tiagabine
Peak:m/z	Relative Intensity
56.58820	0.9
56.94251	1.1
57.72327	1.0
59.01242	3.0
59.67518	1.1
69.31317	4.4
69.31757	4.3
71.01253	2.3
73.02818	1.4
84.02026	1.6
85.02825	2.6
96.42529	1.0
101.02377	1.0
105.54517	1.0
112.05833	0.9
127.57401	1.0
128.01076	1.2
141.92654	1.0
173.06026	1.2
174.05539	1.4
179.03358	1.2
184.03902	1.3
185.06038	2.2
186.05524	2.2
187.79887	1.2
192.40370	1.1
197.04752	23.7
198.05501	18.0
199.06046	2.4
200.07043	6.3
201.07831	4.8
208.07584	2.4
211.06227	7.4
212.07086	52.5
213.07681	5.2
216.10268	2.6
224.07260	1.8
225.07849	1.3
226.08682	48.7
227.09135	6.5
228.13985	1.2
240.10260	8.8
241.11075	13.4
242.08311	6.0
242.11819	25.5
243.12215	2.9
245.10590	3.4
246.11292	7.3
254.11824	2.0
256.13403	39.8
257.09909	1.9
257.13858	2.6
268.13492	3.1
282.11526	1.2
286.14502	56.5
287.14896	5.8
312.12366	1.5
330.13458	100.0
331.13873	10.5
356.11255	3.0
374.12436	45.3
375.12753	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	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48849	0.2
59.01246	0.6
59.02483	0.2
61.98707	1.4
91.05414	0.3
95.04924	0.2
96.95931	0.2
97.07687	0.2
100.07568	0.2
101.05963	1.2
105.03352	0.4
119.04892	0.5
121.02830	0.5
122.03600	0.4
124.07551	0.5
133.02812	0.2
137.02347	2.8
139.03893	0.8
147.04428	6.4
148.05183	2.3
161.02370	0.2
163.03923	0.3
164.04637	0.2
165.10248	0.3
167.37782	0.2
172.01357	0.2
183.13855	0.4
186.17342	0.2
189.10281	0.4
191.03409	0.6
192.04216	3.6
207.02980	0.5
217.57961	0.2
224.03145	0.3
232.10872	9.5
233.11105	0.4
236.03229	0.8
255.02934	0.3
272.17706	0.3
276.10031	0.2
289.17990	1.7
290.18765	2.9
299.02045	0.5
316.01953	0.3
316.16623	1.6
318.18198	0.4
327.01526	1.2
329.06943	0.2
331.15402	0.3
357.06180	2.3
358.21436	1.1
374.24475	100.0
375.14505	0.6
375.24783	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.3
59.01252	18.4
61.98697	6.9
71.53239	2.0
96.71384	1.6
121.10115	16.7
123.08016	1.9
125.09604	7.7
159.70869	1.4
163.12939	1.7
170.31090	1.7
185.11784	15.7
207.09947	4.6
211.13414	2.5
231.62282	2.1
245.19099	9.5
273.18521	2.7
291.19653	69.3
292.19980	6.5
311.16763	2.7
313.17853	100.0
314.18292	10.0
315.01398	3.5
358.06976	4.6
373.05338	3.7
373.09256	4.4
373.19107	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.9
61.33359	0.7
61.98699	3.1
70.68035	1.3
70.68360	1.2
71.01208	1.0
75.83600	0.8
93.03343	2.6
105.84635	0.6
127.55843	0.7
147.98393	0.8
148.08809	1.6
150.10379	1.3
154.06311	0.7
163.11217	1.3
163.46391	0.8
165.12767	22.2
166.13103	2.0
191.14291	0.9
193.15973	0.8
197.84184	0.7
244.10799	4.2
247.20659	11.4
273.18454	5.3
291.19659	100.0
292.19989	13.3
313.17828	12.3
314.18332	1.6
315.01392	2.0
343.04431	1.0
358.06931	2.5
373.05478	2.7
373.09464	1.6
373.19931	11.1
374.20129	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	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	11.8
59.01250	31.2
59.81496	0.5
61.98708	0.5
67.53923	0.6
67.98576	0.5
68.99716	0.7
69.03354	1.1
71.01290	1.2
71.53867	0.9
72.27573	0.5
77.78843	0.5
79.95612	9.9
79.96014	0.8
80.19853	0.6
80.96407	1.2
85.06460	9.3
85.06914	0.7
87.00763	0.8
91.05453	2.3
93.03379	1.6
94.98064	0.5
95.04938	1.4
96.95926	1.6
97.02827	0.7
97.06483	1.3
103.05486	1.7
105.03396	2.0
107.04910	0.7
108.02089	0.9
109.02865	1.0
119.04935	2.7
119.29931	0.5
121.02849	6.2
121.03575	0.6
122.03672	0.9
123.04420	4.9
129.03369	1.1
130.04185	0.6
135.04420	0.9
136.05278	0.5
137.02295	2.7
137.09656	0.6
139.03912	1.0
141.12759	0.7
143.10683	9.6
145.02972	0.7
145.06509	0.6
146.03690	1.8
147.04422	31.7
148.05238	9.7
149.05986	17.1
150.06358	0.9
151.03963	1.5
155.14359	1.1
159.04480	1.3
161.02368	3.2
161.04703	0.6
161.05972	2.7
162.06799	4.7
163.03926	0.9
164.04654	1.0
167.14326	3.2
171.10173	0.7
173.06160	1.7
175.03951	1.5
175.07526	1.1
176.04710	1.2
177.05409	0.7
179.03439	1.9
181.04988	0.7
181.16122	0.5
183.13852	5.2
187.03893	0.7
187.07559	1.9
188.04845	0.9
189.05548	4.3
190.06303	0.7
191.03409	11.7
192.04211	4.7
193.04990	20.1
193.15942	0.7
194.05400	1.7
201.05527	1.0
202.02739	0.7
203.03384	0.9
203.07033	1.7
204.04015	0.6
209.19101	2.2
211.17006	0.9
215.07140	1.0
229.05247	0.7
231.06570	1.9
234.05287	4.3
243.02904	0.7
251.20192	1.5
253.21759	2.0
257.08133	0.8
257.15518	1.2
258.09164	0.7
267.23203	0.9
269.21429	1.0
269.24860	3.4
271.99542	1.2
275.09201	1.0
276.10022	2.4
285.14957	2.8
285.24338	4.7
286.01208	0.8
293.21317	3.5
297.15524	0.6
299.01987	0.9
301.14444	1.4
313.23862	18.8
314.24176	2.4
315.01440	4.4
329.03302	0.7
329.13934	10.7
330.03793	2.1
330.14362	1.7
331.24884	100.0
332.25232	11.9
345.06378	1.1
355.15488	0.9
368.82858	0.7
373.05621	7.1
373.12784	5.3
373.16687	6.2
373.25894	32.5
374.05865	1.7
374.13101	0.6
374.17151	0.7
374.26181	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	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51616	1.7
59.01242	7.6
61.98691	1.6
65.00185	1.6
71.01254	5.8
71.54838	2.4
80.48088	1.8
85.02795	2.9
87.00742	2.6
97.06467	5.4
101.02343	2.8
113.02272	2.7
121.02868	3.4
122.03651	4.0
123.04393	3.3
131.04121	2.1
132.01985	1.6
135.04384	2.4
136.05191	7.5
137.02322	2.1
142.65965	2.0
143.04872	2.1
145.02824	5.1
146.03618	10.2
147.04465	17.4
148.05182	6.3
149.06062	8.8
151.03912	8.6
159.04425	3.6
160.05222	3.2
161.02364	2.0
161.05997	32.4
162.06776	77.0
163.03925	6.9
163.07193	5.1
164.04692	7.7
172.05212	1.9
173.05972	6.2
174.03099	3.1
174.06630	2.6
175.03853	6.7
176.04665	8.0
177.05450	3.3
179.03416	32.3
181.04973	6.3
185.05986	2.3
187.07545	14.7
188.04672	3.2
188.08301	9.9
189.05499	47.8
190.06239	16.5
191.03391	4.3
192.04216	2.6
193.04924	6.5
194.05762	3.6
196.03741	3.1
203.07123	3.6
205.04950	4.7
206.05695	3.2
215.07088	3.7
231.06657	2.6
234.05304	61.2
235.05553	5.1
238.04764	6.9
243.16017	2.5
257.15430	22.6
266.03925	1.9
267.13834	3.6
271.02328	2.6
285.14920	30.4
286.15262	3.9
301.14413	27.0
302.14700	2.6
311.13095	2.7
315.01556	9.8
329.03104	2.8
329.13943	100.0
330.03717	6.3
330.14261	11.4
343.00531	2.0
343.04568	2.3
345.05978	4.2
373.05670	15.9
373.12866	26.4
373.16678	3.9
373.21432	3.4
373.25916	27.6
373.30295	3.5
374.13394	3.5
374.26144	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	373.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25121	1.0
57.03312	4.6
59.01233	3.4
63.53371	0.9
69.03324	2.2
69.57865	6.4
70.23158	1.0
71.01251	1.9
79.95613	8.1
80.96398	2.6
83.93201	1.0
87.00754	2.9
95.04906	1.4
97.06451	1.7
101.02332	6.4
109.02835	3.1
113.02313	1.3
119.04892	3.1
121.02847	1.5
123.04448	1.3
130.04117	1.2
131.04858	1.4
133.02846	1.5
135.04457	4.8
137.02333	6.9
139.03893	2.5
143.04947	1.7
145.06468	4.3
146.03651	3.3
146.06755	1.1
147.04433	22.4
148.05130	3.0
149.05956	3.2
150.06310	1.0
155.04922	3.6
158.03615	2.8
159.04422	20.5
160.05157	4.1
161.05984	1.9
162.03259	0.9
163.03912	1.9
169.06566	1.0
171.04483	1.7
171.10181	2.5
172.05212	23.0
173.05998	100.0
174.03101	2.3
174.06400	6.7
175.03914	2.6
176.04678	2.2
183.04430	2.6
185.06032	4.2
186.06731	2.4
187.03952	7.1
187.07578	17.6
188.04584	2.3
188.08249	4.3
191.03500	5.2
192.04218	6.3
193.04869	2.2
194.05344	1.2
196.05200	3.6
197.06004	19.7
198.06793	10.3
199.04005	1.6
199.07553	6.0
200.04648	2.0
201.05508	24.8
202.05872	1.9
203.03426	5.9
203.07101	1.7
203.10802	1.6
204.04257	2.1
209.05998	1.3
211.07602	2.9
213.05562	2.5
213.09128	1.8
214.06279	4.4
214.09879	1.5
215.07077	16.2
215.10515	1.5
216.04185	3.2
216.07822	10.7
217.05020	28.2
218.05531	2.2
223.07570	2.2
225.00604	1.1
225.05460	2.5
225.09129	1.1
227.10727	6.9
228.11369	2.3
229.12289	4.5
230.05711	1.2
231.06577	2.4
237.09244	1.8
241.12317	17.8
242.12675	1.7
243.13965	1.5
243.16150	1.9
244.11012	7.5
255.10262	12.6
256.10916	1.5
257.15274	1.2
260.06906	23.6
261.07220	2.4
265.12326	2.0
267.13879	22.5
268.14130	2.1
269.11862	1.9
285.14969	28.4
286.15274	3.5
287.05746	1.6
301.10825	4.2
311.12820	3.7
312.13297	1.1
313.69012	1.1
315.01245	1.7
318.21490	1.1
328.02127	1.3
329.13974	19.0
330.14221	3.2
343.04562	2.2
358.07001	3.9
371.06262	1.2
373.09372	2.1
373.12973	11.5
373.16711	2.4
373.25943	33.6
374.13269	1.7
374.26346	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	373.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
59.78916	0.8
61.67050	0.8
65.00191	1.1
65.11575	0.8
71.20432	0.8
71.54600	1.3
79.95609	4.7
80.96398	1.7
111.00825	1.4
121.02853	1.8
134.00099	1.0
136.98682	2.9
137.02402	1.7
145.02853	1.1
147.04428	5.1
148.05029	1.2
151.00443	1.3
161.99481	3.9
163.00400	1.0
165.99002	1.0
171.10246	1.1
173.02359	1.9
177.01852	0.9
178.12036	0.9
185.02390	2.1
189.99007	1.0
191.03549	1.3
191.88345	0.8
192.04254	2.9
197.02425	1.8
203.03456	1.1
213.01901	10.1
214.02388	1.4
215.07179	0.9
217.01370	1.1
225.02017	1.3
227.03346	2.0
228.04201	2.6
229.01419	1.9
230.02094	3.4
240.91588	1.2
241.01443	10.1
242.02209	2.1
244.03618	1.0
245.00926	1.0
255.02927	2.4
256.03772	6.0
257.00861	6.8
258.01492	1.2
269.00833	7.8
271.02579	3.0
272.03238	3.5
284.03415	2.8
285.00455	12.1
286.00781	1.2
287.05508	1.2
297.00397	14.4
298.00925	2.3
299.01953	4.2
299.05301	1.6
300.02753	12.5
304.02222	1.7
311.02063	0.9
312.02701	7.9
312.99905	13.7
313.03250	1.4
314.00092	1.0
315.05118	13.5
316.05362	1.2
327.01334	2.0
328.02234	25.5
329.02722	2.3
329.13751	1.5
337.19562	0.9
343.04578	36.1
344.04861	5.1
357.06570	1.4
358.06943	100.0
359.07263	12.5
371.06415	1.0
373.09283	97.2
373.25925	7.9
374.09622	11.0
385.08102	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	373.093
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.38154	0.5
59.21907	0.5
64.53508	0.6
65.00176	1.1
71.30062	1.1
75.03794	0.6
79.97527	0.5
84.27108	0.5
95.87649	0.5
96.99153	0.7
106.00485	0.7
109.99932	0.8
111.00657	0.5
119.04852	0.8
121.02776	1.4
123.04317	1.1
133.99936	0.6
136.98717	2.7
147.04425	5.3
148.05089	1.6
149.06001	2.5
151.00198	0.6
161.02347	0.7
161.99506	3.2
162.02991	0.6
163.00165	0.7
185.02296	1.5
189.98935	1.6
191.03441	1.3
193.04994	3.6
197.02280	1.5
201.01785	0.9
211.03815	0.7
213.00110	0.7
213.01907	8.9
214.02257	0.7
217.01279	0.8
225.01881	1.1
226.99754	0.9
227.03297	1.6
228.04124	2.2
229.01328	2.3
230.02072	2.3
232.03661	0.8
240.04555	0.6
241.01402	8.5
242.02031	2.3
243.02896	0.7
243.06573	1.1
244.03656	1.4
255.02954	2.0
256.03781	5.8
257.00891	7.3
257.03723	0.8
258.01416	1.5
269.00916	8.5
270.01288	1.5
271.02512	2.5
272.03244	4.5
282.01593	0.9
283.02286	1.2
284.03262	4.7
285.00403	9.4
287.05670	1.5
296.97256	1.1
297.00439	15.4
297.03796	1.1
298.00751	1.8
299.01917	3.5
299.05542	2.3
300.02713	13.1
301.02969	1.5
304.02188	1.4
311.01987	1.7
312.02771	7.3
312.96527	1.0
312.99930	12.0
313.03201	1.2
314.00381	1.3
315.05127	18.6
316.05273	1.1
327.01474	1.7
328.02252	25.3
329.02628	2.4
343.04578	40.2
344.05011	4.3
357.06024	1.9
358.06946	100.0
359.07248	11.6
373.09283	78.7
374.09613	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	372.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97774	3.3
57.03325	7.0
59.01250	6.8
59.98414	4.8
65.99724	38.9
66.03333	3.6
69.03320	5.5
69.64630	8.0
69.64988	24.2
71.01260	12.1
82.02853	12.0
85.02819	6.8
87.00788	6.4
93.03350	4.1
101.02352	6.1
102.06976	4.0
108.02065	18.8
109.02856	6.7
125.02362	4.8
128.01018	10.9
131.59933	4.4
138.95375	4.6
143.04874	4.5
146.03593	8.9
147.03354	4.3
147.04379	19.5
149.05981	4.7
152.01042	16.7
153.01671	6.5
159.04422	27.2
160.05138	7.8
161.06039	7.2
166.02563	10.9
167.03009	8.6
171.04396	5.4
171.08006	6.3
172.05232	41.1
173.06012	38.2
174.03183	8.1
174.06647	6.1
175.07574	9.8
184.03917	7.9
185.05919	20.8
186.05353	6.6
186.06914	19.7
187.03940	15.0
187.06165	5.2
187.07596	55.3
188.04570	4.3
188.08220	9.5
189.05537	6.0
189.09088	7.6
191.03404	6.2
193.04892	4.2
195.08157	5.2
197.06018	11.4
199.04019	5.5
199.07791	26.9
199.11305	4.5
200.04716	16.9
200.06633	4.9
200.08305	15.8
201.05540	11.3
201.09138	100.0
202.06250	11.6
202.09477	10.6
202.31000	4.4
203.07114	9.0
204.04175	5.6
209.05942	5.5
210.06949	6.3
213.05505	14.6
213.09123	24.3
214.06287	17.0
215.07091	51.2
215.10629	19.8
216.07782	16.1
217.08655	8.2
217.12196	9.0
222.09200	5.5
224.08318	6.3
225.09158	16.5
226.09955	6.3
227.07050	9.4
227.10742	4.9
227.39011	4.2
228.07985	21.9
229.08685	51.2
229.12286	5.8
230.08942	4.7
231.05182	5.6
237.07823	6.3
239.10744	14.6
240.10193	15.2
241.08701	5.2
242.09518	5.3
243.10446	81.5
244.11098	12.3
245.08060	25.6
254.08234	18.7
255.08871	6.9
257.11792	30.8
266.11914	36.6
284.12888	32.7
287.09042	7.6
288.09921	7.4
297.07843	4.7
299.08258	5.0
301.10767	6.8
306.07474	13.1
310.10849	10.0
315.07144	13.2
320.10794	4.8
328.11926	30.7
329.12360	5.7
332.08981	9.7
354.09692	6.1
372.10941	23.9
372.58182	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06364	0.6
55.01768	1.1
57.03321	3.4
59.01254	21.3
67.01773	2.3
68.99681	3.0
69.03317	1.8
71.01254	20.7
72.99188	6.6
73.02824	2.2
75.00748	21.7
81.03339	1.3
83.01267	1.6
84.02113	0.7
85.02826	21.6
87.00758	9.7
89.02309	4.9
91.03905	1.3
93.03349	3.7
95.01265	5.1
98.20638	1.7
99.00764	10.9
101.02349	1.2
103.00249	2.3
103.11526	0.8
108.02087	0.7
109.02846	1.5
111.00778	2.1
113.02335	23.0
114.02682	1.0
115.00271	2.2
117.01838	4.1
121.02853	100.0
122.03114	4.1
123.04418	1.9
129.01826	2.6
134.03624	1.4
137.02409	1.1
139.00261	0.8
149.02385	1.1
152.01120	0.9
155.03351	1.0
157.01369	1.1
164.04723	1.2
167.03423	3.3
173.04459	2.4
173.05878	0.9
174.04741	1.0
175.02431	3.7
175.04944	1.1
177.01756	0.8
177.05432	0.8
189.03964	0.8
191.05638	0.9
223.06090	1.6
229.44003	0.8
231.05072	6.1
249.06148	66.2
250.06488	3.4
306.08246	0.8
353.08377	1.1
368.69293	0.9
371.09781	37.7
372.10001	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01585	0.8
61.01872	0.5
65.00197	0.6
71.01260	2.8
85.02853	0.8
87.00774	1.3
89.02344	1.9
89.14896	0.5
92.53361	0.6
93.03355	0.5
95.03432	0.5
101.02341	1.5
108.02092	0.9
109.02870	1.0
111.00739	0.5
113.02312	0.6
119.03445	1.2
125.02377	0.5
134.44971	0.5
151.00301	1.3
152.01163	0.7
153.01909	0.5
153.09097	0.6
166.99838	0.5
178.99811	1.8
184.86972	0.6
191.25409	0.5
194.99333	0.7
221.10764	0.7
265.67444	0.6
327.01605	0.9
332.01593	0.9
353.11380	1.2
371.13272	5.8
372.03632	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	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96180	4.1
59.01244	17.1
61.98706	31.6
66.92661	3.5
71.05419	3.4
78.06767	3.6
121.02840	100.0
127.60947	3.8
147.04381	6.9
165.21774	3.7
179.03467	9.8
188.84280	4.5
198.48994	4.3
210.50514	3.8
218.75052	3.7
228.13615	3.8
229.33186	4.0
229.96260	4.5
327.01938	4.0
341.03674	3.6
370.12527	4.7
371.07840	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98708	63.6
74.00564	10.7
74.02330	16.4
76.05553	9.7
87.00749	22.2
97.06451	14.7
100.00295	98.7
109.96465	10.6
113.66441	13.5
121.02871	12.2
132.83189	10.8
138.03995	10.6
147.04428	18.3
175.01700	14.4
187.07587	19.8
193.02818	50.5
201.05524	15.7
274.08414	27.0
278.10168	12.7
289.06836	10.8
308.16467	10.4
313.31644	10.6
363.84344	11.8
371.15005	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.53950	0.3
59.01244	1.9
69.53169	0.9
69.53579	0.8
72.21285	0.3
97.06489	0.3
98.19888	0.4
107.80206	0.3
112.57449	0.3
121.02846	100.0
122.03182	4.7
135.04385	0.5
137.02325	0.3
142.34819	0.3
147.04404	0.7
149.02357	0.4
149.05936	0.3
176.10768	0.3
179.03416	11.0
180.03702	0.5
181.06516	0.6
186.33513	0.3
193.05020	0.3
197.05981	0.3
201.08992	0.3
225.05569	0.6
239.07074	0.5
283.06287	0.4
327.08749	0.3
360.26273	0.3
371.07712	10.4
371.14960	0.6
371.24289	0.3
372.08026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01746	0.7
57.03343	1.1
59.01260	5.4
64.83188	0.8
67.01749	0.9
68.99677	1.5
69.03326	2.3
69.19576	2.6
69.19990	4.9
71.01256	12.2
72.91551	0.7
72.99184	2.0
73.02816	10.3
75.00759	0.8
81.03313	1.1
83.01246	1.2
85.02824	9.9
86.82001	0.7
87.00755	93.5
88.01103	1.9
89.02331	1.1
89.46677	0.7
93.03330	1.3
97.02830	2.3
99.00777	2.0
101.02317	4.4
108.02057	2.3
109.02802	3.9
113.02319	3.1
121.02876	1.3
122.03651	5.3
123.04446	3.6
125.02303	1.2
127.03896	2.2
129.01851	0.8
131.03407	1.7
134.03658	5.6
135.04410	5.4
136.01576	21.4
146.03662	7.8
147.04375	1.5
148.05223	5.1
149.06010	16.0
150.03081	0.9
151.03929	24.8
152.04199	1.2
157.04980	1.4
159.04411	0.8
161.02362	2.4
161.05986	2.5
162.03143	2.4
163.03928	5.9
163.07562	0.9
164.04742	8.6
165.05421	1.4
172.05215	1.9
174.03174	2.2
175.03943	5.0
176.04741	2.9
177.05527	3.4
178.06184	1.2
179.07056	11.4
181.15363	0.7
187.03847	0.9
188.04671	1.4
189.05507	1.8
190.02812	0.8
191.07169	1.7
192.04202	2.0
192.42110	0.7
204.04248	3.9
205.04979	2.1
207.06544	4.0
215.03534	1.2
216.04228	1.9
219.06589	5.7
220.03641	1.2
228.04247	1.1
231.06593	2.2
232.03783	1.0
235.06102	28.5
236.06485	1.6
246.89691	0.7
247.06149	2.7
249.07700	0.9
251.05717	1.2
261.07697	1.1
265.07144	5.1
295.08304	6.7
324.82175	0.7
325.09183	1.5
353.08859	1.9
371.09842	100.0
372.10172	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	370.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12367	2.7
51.83023	2.3
59.01251	4.2
61.28494	2.3
71.53199	3.0
74.67683	2.2
87.00739	3.5
119.15122	2.7
131.34062	2.6
141.00063	10.1
145.02879	4.9
147.04430	3.8
150.98499	2.9
152.37958	2.6
153.00087	4.7
154.00803	4.1
161.17662	2.7
165.00063	10.3
165.05421	2.7
168.99626	12.8
171.01033	2.6
178.00859	6.4
179.01653	75.3
180.02437	72.9
181.02727	3.3
185.99901	4.0
195.01152	3.2
195.04887	3.3
204.13321	2.5
205.08498	2.8
224.01447	72.7
225.01741	5.3
239.03810	100.0
240.04117	6.9
249.99413	39.5
250.99541	3.2
252.52142	2.6
253.14261	2.4
264.68768	3.1
265.01733	64.8
266.02112	4.9
283.02756	5.5
354.46637	2.9
370.05988	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	369.1706
Annotation	(3R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
59.01257	6.4
61.98676	1.3
63.76339	1.0
71.01255	1.8
71.54162	2.1
74.73933	1.0
85.02827	1.7
87.00751	2.9
95.01264	1.2
95.04952	1.2
97.06470	2.0
101.02326	2.0
107.04955	1.2
109.02849	4.6
121.02844	13.0
123.00774	2.2
123.04385	2.5
124.01555	2.8
125.02344	2.7
132.41757	1.2
134.03622	25.1
135.04341	3.5
137.02359	13.8
139.03992	2.1
146.03632	2.5
147.04420	3.4
148.01567	5.9
148.05153	2.3
149.02367	29.7
149.06010	1.9
150.03001	2.7
151.03905	4.7
159.04407	3.6
161.02359	3.6
163.03931	4.1
164.04683	4.0
165.05447	4.3
173.06094	1.3
174.06706	1.4
175.07585	5.8
177.09152	6.7
178.02596	3.6
187.07547	3.1
188.08371	3.5
189.09137	100.0
190.09451	7.1
192.04192	1.1
199.07602	1.7
201.09154	22.5
202.09659	1.8
203.10696	6.4
213.09178	1.1
215.10771	2.5
226.06374	1.4
269.04596	1.7
270.05261	2.0
271.05887	1.4
272.06750	1.1
279.06683	1.4
284.06787	2.2
293.11844	1.2
296.07065	5.6
299.09134	3.7
311.09286	18.2
311.12659	1.7
312.09592	2.2
321.11234	7.0
322.11490	1.6
324.10031	4.2
339.12366	52.1
340.12531	6.5
351.10855	1.3
353.13672	1.4
354.14722	69.7
355.15012	10.5
369.12802	6.0
369.17044	97.3
370.12961	1.7
370.17426	13.1
386.13840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
50.89717	0.6
66.89651	0.7
70.37938	0.7
79.28455	0.7
83.04898	0.9
83.43501	0.7
85.99841	0.8
87.00751	13.0
91.05423	1.1
93.03339	3.2
95.04931	1.4
97.06468	17.6
98.19779	2.1
99.70439	0.9
105.03362	1.2
107.04903	6.1
108.02007	0.9
111.04379	2.4
112.05177	4.6
119.04929	1.4
121.02848	61.9
122.03718	7.7
123.04448	4.5
130.99782	1.1
134.17267	1.0
135.04417	2.6
137.02304	2.9
139.03909	0.8
144.76010	0.7
147.04417	17.5
147.05582	1.1
148.05191	5.1
149.02351	2.0
149.06004	2.7
150.03047	0.8
163.03928	15.1
164.04712	6.4
165.05492	3.4
166.96094	0.8
177.72084	0.8
191.03452	5.8
192.04219	4.3
193.05008	3.5
201.09186	1.6
211.30878	0.8
219.10216	2.6
252.60051	0.8
254.04242	1.6
257.64868	0.8
261.11295	2.2
289.10876	2.4
291.08734	1.6
307.11847	1.8
309.09814	14.6
351.10806	10.0
352.11099	1.0
369.11899	100.0
370.12292	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.9
71.01247	1.9
87.00759	1.4
89.02317	3.0
91.03882	11.8
93.03362	0.5
97.67056	0.5
98.19819	1.6
113.02338	0.7
134.03612	1.9
171.10220	0.8
173.04462	1.1
179.14343	1.6
191.05551	1.4
192.75383	0.5
193.04976	1.4
195.13843	9.1
205.12332	1.1
205.15948	0.9
223.13339	6.0
224.13864	0.5
249.38374	0.6
256.13144	2.1
275.20160	5.2
276.20572	0.6
293.21219	100.0
294.21548	11.0
307.10443	1.3
309.04108	0.7
331.18884	0.6
367.11542	1.9
367.15723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77961	7.7
70.30221	1.4
75.94804	1.4
95.01271	4.2
95.79678	1.3
107.01267	4.8
123.00742	3.1
124.01542	1.8
125.02314	4.1
134.02335	1.7
151.00276	15.2
171.03134	2.0
185.52689	1.5
186.01868	18.6
186.03316	1.5
198.03130	5.7
201.01875	2.2
201.04250	5.8
202.02609	2.3
210.03119	6.2
214.02660	6.0
215.02032	2.0
216.06601	6.1
219.19070	1.7
223.03867	2.2
225.01915	1.4
225.05499	2.9
226.02695	14.3
227.03455	2.5
229.01343	3.6
230.01970	2.1
239.03323	4.1
242.02184	16.7
242.04451	2.3
248.03279	1.7
253.01414	1.9
254.02209	6.0
255.02928	3.3
265.03830	1.8
266.02051	2.5
266.04556	3.2
267.01837	2.3
269.00693	1.7
269.04480	2.2
270.01697	25.2
271.02158	3.2
276.03174	1.8
281.00882	2.5
283.02469	4.8
284.03128	2.1
285.04044	22.9
286.04483	2.5
292.02527	3.1
293.03192	3.2
294.04010	4.5
295.01785	2.4
297.04080	2.6
298.01340	10.4
299.01840	1.8
299.05539	1.8
305.03143	2.9
308.05606	1.5
309.03958	1.7
310.03525	8.7
312.02521	2.6
313.03522	100.0
314.04099	7.2
321.02740	5.7
322.03433	6.4
323.04205	4.1
327.05103	4.6
328.05853	84.5
329.06308	5.7
336.05121	18.2
337.05762	7.5
338.03036	31.1
338.06689	8.9
339.03464	2.2
352.04605	2.7
353.05420	13.3
368.07724	80.3
369.08188	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84716	0.7
51.92731	0.5
53.29808	0.6
65.75142	0.7
69.53329	2.8
69.53747	1.7
71.04883	0.7
71.43727	0.7
83.04901	0.7
87.00751	20.8
91.05411	0.8
91.92019	0.6
93.03332	4.3
95.04890	0.9
97.06468	26.3
103.05445	0.8
105.03345	2.2
107.04904	11.4
108.02094	0.9
108.05197	0.6
109.46819	0.7
111.04401	2.6
112.05193	6.9
113.06046	0.6
119.04940	2.0
121.02844	85.0
122.03674	13.9
123.04429	5.1
130.99710	1.1
135.04419	2.9
137.02339	5.2
139.03920	1.8
146.03680	1.2
147.04414	26.8
148.05205	5.7
149.02377	2.0
149.05965	3.9
150.03108	1.2
163.03922	17.2
164.04715	9.3
165.05499	5.0
173.02414	0.6
175.07600	1.1
191.03410	8.0
192.04167	6.8
192.19380	0.6
193.05009	5.3
201.09207	3.9
219.10176	3.5
254.04346	1.8
261.11340	2.6
270.64636	0.6
289.10834	1.8
290.11511	0.9
291.08643	1.0
307.11978	2.0
309.09805	14.9
310.10150	1.0
311.92313	0.6
351.10794	9.7
352.11240	0.8
369.11887	100.0
370.12265	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	367.1185
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
59.01240	0.4
61.38535	0.2
69.58728	1.4
92.77011	0.2
93.03327	0.3
107.50660	0.2
121.02851	1.4
131.01257	0.7
133.02841	1.7
135.00656	0.2
148.01550	1.0
149.02374	1.1
160.01570	2.3
161.02246	0.3
163.00287	0.2
172.01561	0.3
173.02322	0.2
174.03081	0.3
175.00279	3.0
176.00786	0.3
181.06523	0.3
183.04570	0.2
188.01085	9.4
189.01784	1.1
193.04965	0.4
197.06047	0.4
200.01099	4.3
201.01857	5.7
201.05446	0.2
202.02267	0.3
209.05994	0.8
219.06590	0.5
221.93294	0.2
223.03818	0.3
225.05470	1.4
227.03436	1.1
229.05017	0.3
235.04047	0.4
236.04739	0.3
237.05528	1.3
239.03456	0.5
241.04996	0.8
242.05914	0.3
243.06509	1.2
244.06856	0.3
251.03459	0.4
252.04277	0.4
253.05040	4.2
255.02982	0.7
263.03436	0.6
264.04263	0.6
265.05008	1.6
266.02310	0.4
267.02997	1.3
268.03702	0.3
269.04462	1.1
270.05228	0.7
279.02991	0.6
280.03732	0.8
281.04550	3.0
284.03156	0.5
291.02966	0.7
292.03644	0.7
296.03268	0.6
297.04050	8.7
298.04401	0.7
308.03357	1.3
309.04037	88.9
310.04391	9.5
310.07602	0.3
323.05649	0.6
323.09256	0.5
324.09818	0.3
333.07599	0.4
335.09186	0.9
337.07205	1.9
344.05496	0.2
351.08777	2.4
352.09500	53.4
353.09830	6.5
367.11841	100.0
368.12170	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	367.1183
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
51.34805	0.5
59.01261	3.2
59.19475	0.5
71.09184	0.5
71.54292	0.8
87.00758	4.4
93.03286	0.6
97.06470	1.0
97.92229	0.5
102.26949	0.4
104.59339	0.5
121.02826	1.3
130.99759	0.9
131.01277	0.8
133.02847	5.5
134.03687	2.6
137.02394	0.7
148.01553	1.5
148.12422	0.5
149.02432	0.9
149.05986	1.3
153.05484	0.9
161.02319	0.8
163.00345	1.2
173.04440	1.5
173.05911	0.9
175.00233	3.3
181.06458	0.7
183.04417	0.8
188.01050	0.6
189.01831	1.0
191.05511	1.1
193.04951	2.6
195.04437	0.7
197.05988	1.9
199.03937	0.7
200.01115	1.4
201.01926	5.3
201.05383	2.8
209.05980	1.1
210.03113	0.5
211.03999	1.1
211.34998	0.6
212.04715	0.7
213.05571	1.0
224.04646	0.7
225.05505	3.0
225.09076	0.7
227.03484	1.6
235.04041	0.7
236.04764	0.7
237.05489	1.7
241.05045	2.3
250.06154	0.5
251.03401	1.0
251.10704	0.6
253.05061	3.7
254.05717	0.5
255.03064	0.8
263.03500	1.5
265.05008	2.1
266.05493	0.6
267.03012	1.7
268.03772	0.6
269.04532	5.6
269.07849	1.1
270.05225	0.6
279.02975	0.6
280.03860	1.2
281.04572	2.0
283.06033	0.6
291.02731	0.7
292.03876	0.8
297.04050	32.2
298.04324	2.2
307.10202	0.7
308.03214	1.4
309.04050	76.9
310.04395	7.5
323.16440	1.5
329.23196	1.2
337.07285	3.4
351.08823	1.3
352.09500	46.9
353.09875	6.4
367.11841	100.0
368.12164	10.6
368.16400	1.0
368.24475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1184
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
59.01260	2.1
63.84035	0.4
71.01257	0.8
71.54637	0.6
87.00780	2.0
93.03359	0.9
93.09377	0.4
107.98492	0.5
120.52425	0.5
121.02860	1.2
131.01279	0.7
132.01974	0.5
133.02867	1.7
134.03635	1.9
137.05824	0.5
139.55577	0.6
148.01550	1.0
149.02322	0.8
149.06062	0.6
160.01579	1.7
161.02417	0.6
163.58917	0.5
175.00330	2.6
188.01062	7.9
189.01747	0.9
191.05453	0.6
193.05022	1.8
196.05133	0.5
197.06055	1.1
200.01071	3.3
201.01840	3.4
209.05908	0.5
211.03946	0.8
225.05566	1.1
228.04230	0.6
228.11638	0.5
235.04094	0.7
237.05571	0.8
239.03545	0.6
241.04973	0.8
243.06496	1.1
253.05104	3.2
265.05048	1.3
267.02902	1.4
269.04584	1.4
280.03857	0.8
281.04611	2.8
281.07373	0.6
291.06589	0.7
296.03253	0.6
297.04041	9.7
298.04349	1.0
308.03302	0.9
309.04050	77.3
310.04391	8.4
311.05737	0.5
321.07620	1.0
322.08118	0.6
323.16446	0.6
335.09067	0.6
336.10172	0.9
337.07166	4.3
344.05219	1.3
351.08932	2.8
352.09506	43.8
353.09827	5.3
367.11838	100.0
368.12192	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37672	0.2
57.59697	0.2
58.83728	0.2
59.01235	1.0
59.46201	0.3
63.73166	0.2
70.74389	0.3
71.01228	0.3
93.03327	0.4
99.04356	0.3
109.02757	0.3
121.02834	1.3
131.01311	0.6
133.02879	1.9
134.03589	0.6
145.02826	0.4
148.01602	0.8
149.02348	1.3
151.26576	0.2
160.01549	2.3
173.02307	0.3
175.00298	3.1
176.01035	0.3
188.01077	9.1
189.01709	1.6
197.06085	0.4
200.01093	5.0
201.01860	5.9
202.02167	0.5
209.05975	0.9
219.06439	0.3
225.05507	1.5
226.02763	0.3
227.03395	0.9
235.03987	0.8
236.04819	0.3
237.05515	1.3
239.03468	0.6
241.05045	0.9
243.06535	1.5
251.03516	0.4
253.05042	4.4
254.05357	0.3
263.03476	0.5
264.04187	0.9
265.05045	1.9
267.02957	1.0
269.04483	1.1
279.03033	0.8
280.03741	1.2
281.04590	3.2
282.05167	0.5
284.03351	0.6
291.03067	0.7
291.06494	0.3
292.03711	0.8
296.03381	0.5
297.04068	8.8
298.04382	1.1
307.10251	0.4
308.03342	1.6
309.04041	97.8
310.04391	9.0
311.05496	0.3
323.05740	0.3
323.09073	0.3
333.07736	0.6
335.09186	0.7
337.07190	2.7
338.07709	0.5
340.44608	0.3
351.08871	2.6
352.09509	60.2
353.09860	7.5
367.11844	100.0
368.12173	14.6
370.00708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.30581	0.5
56.03631	0.6
59.01248	2.9
70.12486	0.5
85.06447	3.2
87.49201	0.5
92.66538	0.5
94.26835	0.5
113.02428	0.6
184.08008	0.6
199.13368	1.4
259.75912	0.6
261.18683	0.8
271.10364	0.6
279.19647	17.2
280.20087	1.1
305.21945	0.6
347.25888	6.0
348.26398	1.2
363.25113	1.0
365.26962	100.0
366.27335	12.5
366.32004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60786	0.6
56.85401	0.7
56.93605	0.7
57.03313	2.5
59.01255	5.5
60.99175	3.2
67.01768	16.1
69.03318	4.1
69.60692	5.0
71.01254	8.6
71.04892	1.0
71.25520	0.7
73.02850	0.7
73.09605	0.7
81.03344	3.5
83.04897	2.3
85.02829	12.1
87.00757	29.7
88.93134	0.8
89.03852	1.3
93.03340	89.9
94.03674	2.4
98.19776	1.0
99.00777	1.3
99.04423	2.3
105.12494	0.7
109.02824	3.1
111.00790	1.5
111.04410	14.6
113.02345	1.2
117.03359	4.9
119.04944	1.0
123.04413	12.9
127.03899	2.7
129.01846	2.0
130.99747	2.1
134.03639	59.0
135.03996	3.0
137.02361	6.0
149.05994	9.0
155.03430	4.7
158.68575	0.8
159.04482	2.0
160.01665	1.2
163.03902	1.5
163.07581	1.8
165.05467	1.7
171.02945	0.8
172.05299	0.7
173.04478	94.5
174.04846	4.6
175.07565	0.9
176.04831	0.9
187.03976	2.0
187.07571	1.8
188.04674	1.4
189.05498	1.6
189.09157	2.4
191.05551	100.0
192.05923	5.1
193.04994	20.9
194.05284	1.9
199.07613	1.2
201.05534	0.9
203.07066	2.1
205.08607	1.1
217.08615	7.0
219.06506	0.9
220.08792	0.8
235.09836	1.6
243.10214	2.0
255.05049	1.8
265.87030	0.7
289.17322	0.8
349.09216	1.5
367.10403	7.0
392.80289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
62.33604	0.2
71.00202	0.5
87.00758	0.3
89.03852	0.5
89.82171	0.3
92.90771	0.2
93.03349	1.0
111.04413	1.3
111.05080	0.3
117.03356	3.5
134.03630	35.6
135.03992	1.3
137.02303	0.5
149.06012	4.1
149.07269	0.3
149.07707	0.2
150.06432	0.2
155.03424	2.1
166.22609	0.3
173.04468	5.2
174.04950	0.2
191.05544	5.0
192.05838	0.4
193.04990	100.0
194.05336	4.4
267.20151	0.2
268.64453	0.3
278.11017	0.2
367.10333	5.9
368.10605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01247	1.6
63.01910	0.3
71.01264	0.8
71.52635	0.3
81.03338	0.4
83.04892	0.8
85.02803	0.4
87.00745	2.7
89.03862	1.3
93.03333	2.4
101.02351	0.3
111.04420	2.3
114.44387	0.3
117.03348	8.7
118.03629	0.3
123.04438	1.0
127.03916	0.4
129.01881	0.4
134.03633	81.4
135.03934	3.4
137.02345	0.8
143.04967	0.3
146.03661	1.3
147.04428	0.5
149.05991	7.3
151.80753	0.3
155.03384	2.6
159.04417	0.6
161.06018	0.4
163.03929	1.1
164.04688	0.6
173.04480	4.9
173.05830	0.4
177.05495	0.3
178.02522	0.4
187.03973	0.5
189.05542	0.5
191.05542	3.9
193.04994	100.0
194.05331	7.5
202.06415	0.3
215.07101	0.4
217.08626	2.6
235.09758	0.5
243.10043	0.3
245.08224	0.5
259.09738	0.5
287.09152	0.4
289.07251	0.5
305.10355	0.4
318.25992	0.3
367.10345	9.1
368.10672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03069	0.3
57.03313	0.4
59.01253	1.1
60.99178	0.6
67.01759	3.1
69.03332	0.7
71.01237	1.2
71.01616	0.3
71.39434	0.6
80.44908	0.3
81.03333	0.6
83.04916	0.5
85.02839	1.6
87.00739	2.3
90.39684	0.3
93.03337	18.8
94.03666	0.6
99.00752	0.5
109.02813	0.7
111.04398	3.9
117.03352	1.4
120.22540	0.3
127.03893	0.5
129.01866	0.4
134.03635	10.8
135.03992	0.3
137.02328	2.8
149.05954	0.9
155.03389	4.6
173.04471	100.0
174.04851	3.7
183.46284	0.3
191.05540	54.1
192.05879	1.9
192.54372	0.3
193.04991	16.5
194.05298	0.9
245.96301	0.3
255.05069	0.6
367.10291	6.5
368.10675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79655	0.5
59.01254	2.8
65.05894	0.5
68.12732	0.5
71.53822	0.8
72.76453	0.6
75.00709	1.8
85.02760	0.7
87.00733	1.2
93.03288	1.0
117.03345	0.8
119.37308	0.7
121.02814	1.3
131.01254	0.8
133.02858	5.0
134.03580	1.9
148.01553	0.8
149.02269	0.9
149.04878	0.8
149.05995	12.7
150.06274	0.7
161.02258	1.2
163.00233	1.1
173.02353	0.7
173.04518	1.0
175.00343	4.2
175.03889	0.7
191.05489	1.8
193.04939	2.1
193.92722	0.6
196.05072	0.6
197.05951	1.6
200.01082	1.6
201.01871	8.2
209.06049	1.1
211.04042	0.7
225.05475	2.4
226.05722	0.9
227.03400	1.1
235.03915	1.2
237.05499	2.0
241.05028	2.7
251.03477	1.3
253.05081	4.5
255.02986	0.9
265.05011	2.2
267.02896	2.0
269.04587	5.2
279.74396	0.6
280.03781	1.7
281.04639	2.8
284.03165	1.2
291.03009	0.6
292.03641	1.0
293.21240	2.2
297.04056	34.3
298.04321	4.2
307.10229	1.4
308.03244	1.1
309.04053	78.8
310.04422	7.4
337.07071	3.2
351.08829	1.2
352.09537	48.0
353.09833	5.7
367.11877	100.0
367.20096	2.9
368.12216	13.6
368.16309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00756	1.8
54.66284	1.9
59.01255	17.6
71.01240	2.7
71.53954	2.5
85.02826	2.3
87.00732	2.8
96.95875	2.6
108.99345	2.2
113.02312	2.1
121.10103	7.7
147.04381	2.7
150.75063	2.0
171.10205	15.7
183.13812	4.3
195.13815	6.5
223.13309	6.2
256.13126	2.6
257.93085	2.0
275.20166	39.2
276.20508	3.2
293.21216	100.0
294.21552	14.1
326.40198	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22720	0.6
59.01251	23.3
71.01273	0.9
71.53387	0.7
80.15076	0.6
83.04885	1.4
87.00756	1.2
89.69031	0.7
112.76014	0.7
118.44630	0.6
143.85570	0.6
147.04460	0.6
191.03642	0.7
213.16266	1.0
231.17554	0.8
261.22256	6.0
277.21616	1.2
285.22205	2.6
287.20328	0.9
293.06625	0.7
303.23291	51.1
304.07504	0.7
304.23624	5.4
305.21222	49.9
306.21552	5.2
314.81564	0.6
321.24384	1.2
347.22318	4.0
348.22906	0.8
358.49850	0.8
365.23300	100.0
366.23654	11.6
369.66556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09095	1.4
57.03329	10.0
69.03316	2.2
73.02842	1.7
81.03336	2.1
85.02810	2.7
87.00751	5.6
97.06451	2.7
101.02322	10.2
109.02854	3.9
117.54443	1.5
129.03386	1.5
133.85147	1.5
137.02348	2.1
139.03922	2.1
146.03673	4.1
147.04433	30.8
148.05186	6.3
149.06003	2.2
159.04417	19.3
160.05176	4.5
161.05989	5.8
163.07567	4.4
169.06622	1.4
172.05220	35.4
172.06685	2.4
173.06001	60.2
174.03163	4.9
174.06602	4.7
175.03998	3.5
175.07562	5.2
175.11290	1.6
176.04721	11.1
183.04465	6.6
185.06056	3.2
186.06787	16.5
187.03940	6.5
187.07573	39.1
188.08224	5.9
189.05501	16.8
189.09149	14.0
191.03413	3.4
192.04172	2.9
196.05217	2.9
197.06038	18.8
198.06767	9.7
199.07506	4.7
199.11182	2.6
200.04756	5.6
201.05522	26.1
201.09146	83.3
202.02612	2.4
202.09462	8.8
203.07133	5.6
204.04135	1.5
204.07867	35.0
205.08369	4.3
209.09680	2.9
211.07608	3.5
212.08334	4.2
213.05605	1.4
213.08990	1.7
215.07121	33.9
215.10638	2.5
216.07858	36.1
217.04890	2.1
217.08401	2.9
217.12289	3.5
225.09158	7.9
226.09807	1.9
227.10741	89.7
228.10909	6.8
229.08612	7.3
230.09361	1.6
241.08684	1.6
243.10274	3.7
245.11823	80.5
246.12152	7.2
259.13464	5.9
260.06989	2.2
271.09747	21.7
272.10150	2.3
277.14468	6.6
289.10818	100.0
290.11182	9.5
303.12451	2.5
321.13385	9.5
333.09738	8.6
347.11475	4.2
365.07932	1.6
365.12393	43.6
366.12863	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	365.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
65.68761	0.8
68.99692	0.8
69.03309	1.1
71.01251	2.0
80.65598	1.1
85.02837	0.9
87.00755	43.3
95.01219	0.9
107.04901	1.6
115.00259	1.4
121.02837	2.2
130.99750	2.7
131.04895	0.9
133.06482	4.7
137.02322	2.0
143.04947	5.1
145.02864	1.9
145.10130	0.9
145.11583	0.9
146.03667	8.4
147.04457	4.6
148.05186	1.6
149.05957	1.1
158.77832	0.8
159.04430	3.0
160.05237	4.2
161.02356	1.6
161.05998	39.0
161.09592	6.4
162.03052	1.2
162.06432	1.3
165.05524	2.1
171.08067	9.9
172.05286	1.5
172.08507	1.0
173.05974	4.5
174.03180	1.2
174.06767	3.9
175.03899	1.4
175.07558	2.1
179.01620	0.9
185.05980	1.5
186.06812	1.7
187.03889	1.7
187.07555	2.3
188.04756	0.9
189.05557	1.3
189.09157	27.5
190.05949	1.0
190.09471	2.4
193.04982	1.2
197.09653	2.9
198.06807	1.2
199.07588	1.4
201.05452	0.8
205.08731	1.4
207.10201	9.0
215.07269	2.0
215.10751	19.6
216.07825	2.9
216.11220	1.2
217.08585	2.1
222.62601	1.0
227.10716	1.6
231.10266	10.2
233.08165	41.1
234.08519	3.3
241.08777	1.4
243.10155	1.1
245.11742	1.2
259.09766	12.8
260.10028	0.9
261.07724	1.7
271.09879	0.9
275.09113	4.7
277.10693	1.0
285.07526	1.5
303.08826	11.6
304.09134	1.8
305.06647	19.1
306.07037	1.6
321.09406	1.2
347.07626	2.3
365.08765	100.0
366.09039	8.8
374.41846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
62.83268	0.6
64.24171	0.6
68.99685	2.2
69.22861	6.5
75.71760	0.6
79.05406	1.7
85.02843	0.9
87.00745	3.8
91.05411	5.4
93.03353	1.2
95.04907	2.8
97.06461	6.9
98.06855	0.6
103.05413	5.3
105.03345	8.7
107.04922	1.0
108.02036	1.9
109.51978	0.6
113.02354	0.7
117.03366	0.9
119.04915	8.7
121.02856	11.6
122.03640	3.3
123.04477	0.7
125.30384	0.6
129.03352	3.3
133.02852	0.6
135.04454	0.8
137.02322	9.1
139.03911	3.5
145.02846	1.0
146.03564	0.9
147.04424	100.0
148.05220	28.0
149.06023	6.6
154.18703	0.7
163.03934	0.8
187.07610	0.7
191.03439	45.8
192.04207	15.9
193.04944	4.9
201.09105	1.8
207.02969	0.8
208.06108	0.6
224.03175	0.7
227.10809	1.3
245.11812	1.5
261.11444	0.8
289.10806	14.2
290.11209	1.6
301.12732	0.7
321.13409	6.9
333.09869	0.7
365.08817	1.0
365.12439	20.6
366.12695	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	365.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59302	0.4
57.03325	1.1
59.01252	2.6
59.57929	0.4
67.02780	0.4
67.25644	0.4
68.99693	2.2
69.04762	0.5
71.01255	1.3
71.52657	0.5
71.53077	0.6
72.99152	0.6
73.02842	0.4
79.05406	1.9
85.02831	1.5
87.00751	8.7
91.05407	6.6
93.03345	1.8
95.04904	3.4
97.06492	2.4
98.79339	0.5
101.02317	0.9
103.05427	4.1
105.03349	10.3
105.04021	0.9
107.04913	0.7
108.02067	1.5
109.02845	1.3
113.02343	0.8
115.00253	1.2
117.03350	0.5
119.04924	9.0
121.02851	7.8
122.03632	1.4
124.01562	0.8
129.03369	3.0
133.01324	0.9
133.02859	1.5
135.04405	0.9
136.01595	0.6
137.02338	9.4
138.02711	0.7
139.03937	3.3
145.02841	1.1
146.03641	1.9
147.04430	100.0
148.05225	14.5
149.05988	5.0
151.03955	0.6
161.02365	2.9
162.03120	0.8
163.03922	2.5
164.04709	1.4
165.05441	0.6
171.10269	0.7
172.05177	0.9
173.06017	0.7
173.09741	0.5
176.04744	0.7
177.01836	0.5
177.05339	0.4
179.03450	1.2
180.04143	1.1
185.05937	0.6
186.06804	2.5
187.07578	9.9
188.07858	0.5
190.15869	0.5
191.03442	31.8
192.04189	12.6
193.04901	2.7
201.09201	6.6
203.07065	0.8
205.01405	1.3
206.02103	0.7
207.02937	0.8
215.07095	0.5
218.02194	0.8
224.03314	0.6
227.10727	1.8
229.08705	0.7
235.02368	0.7
243.10298	1.1
271.09641	0.6
273.07813	1.7
282.38910	0.5
289.10767	4.8
290.11212	0.8
303.08990	0.7
321.13458	1.5
333.09851	6.2
334.10150	0.8
365.08505	0.7
365.12418	13.1
365.19629	0.6
366.12717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.1
59.98393	4.8
69.03316	4.6
71.01263	13.0
71.53819	7.2
72.99178	27.5
85.02822	20.1
87.00758	68.7
91.05357	6.3
93.03323	7.3
95.04912	4.7
97.06474	6.8
98.25267	4.2
99.00755	8.0
101.02328	8.5
107.04874	7.5
109.02836	5.7
111.00753	9.8
111.56918	4.3
115.00262	14.1
117.03364	7.2
119.04911	9.5
121.02847	5.8
123.00800	8.2
123.04449	7.4
124.01542	5.0
125.02303	4.9
128.01041	21.1
129.01836	9.2
133.01373	10.0
135.04442	26.4
137.02322	15.2
145.01318	16.7
145.02817	7.3
146.03636	12.5
147.04420	18.1
149.06010	26.1
151.03891	6.1
159.04468	33.1
159.08105	5.8
161.02351	20.8
161.05946	10.5
161.07146	7.0
163.03932	100.0
163.07553	9.4
165.01831	6.9
165.05420	8.6
166.02396	4.1
171.04417	8.4
171.08057	5.1
172.05235	48.2
173.06007	48.5
174.03174	11.2
174.06700	6.1
175.03902	16.0
175.07556	15.7
176.04654	6.1
177.05522	7.5
179.01944	4.3
179.03400	21.9
180.04182	39.0
183.04417	19.6
185.06033	19.8
186.06792	39.6
187.03891	17.3
187.07588	79.7
187.11264	5.8
188.04680	11.9
188.08263	11.3
189.01727	6.3
189.05461	14.8
189.09163	22.0
189.12857	5.4
190.02704	11.8
191.03395	11.9
191.07042	9.3
193.04979	14.0
197.06055	22.9
198.06644	6.7
199.07607	20.7
200.04686	13.0
200.08319	11.7
201.05569	20.8
201.09140	96.0
202.06244	18.9
202.09514	7.6
203.07085	15.7
204.04199	14.4
205.05031	5.9
205.08609	12.2
206.02065	5.7
207.02937	41.3
209.09767	5.0
211.07581	5.2
212.04807	9.3
213.05667	6.8
213.09122	17.8
214.06357	7.0
214.09431	4.5
215.07115	51.4
215.10692	30.6
216.07663	13.4
216.11378	7.7
217.05006	11.6
217.08586	18.2
218.05830	19.9
219.06577	44.6
223.07646	7.1
224.03183	19.9
225.09134	11.1
226.09970	10.0
227.10744	57.0
228.32268	3.9
229.05148	5.3
229.08638	30.9
230.05777	13.8
230.09129	6.1
231.06541	19.0
231.10222	19.0
232.07285	9.3
233.08003	7.6
233.11862	8.1
235.06059	5.0
236.06807	7.2
241.08772	28.4
243.10341	35.5
244.10919	8.0
245.08153	42.5
245.11766	12.3
246.08670	4.9
247.09724	9.4
257.08228	6.2
258.01877	5.0
259.09738	45.8
259.13354	16.2
260.10123	5.3
263.67789	4.3
271.09756	18.6
275.09177	11.3
277.10846	13.3
285.07706	12.5
289.11053	8.6
291.08832	6.4
303.08704	27.9
303.12363	26.5
305.11295	6.3
347.07547	8.4
347.11276	19.2
365.08688	48.7
365.12674	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	364.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.3
65.24656	0.7
69.43139	2.7
69.43568	2.8
71.01258	27.5
72.99174	1.1
73.02824	3.4
85.02834	0.9
85.06461	20.0
86.06799	0.7
87.00749	6.4
88.03917	9.3
89.02316	7.8
94.17827	0.6
98.19851	1.5
99.00782	3.7
102.90607	0.6
104.13052	0.8
105.26108	0.7
109.55967	0.8
113.02306	1.2
113.05979	3.8
115.07527	1.1
116.03422	1.7
130.08640	2.0
131.03348	1.0
146.08141	1.4
149.05963	1.5
160.09711	63.7
161.10034	2.4
187.07448	1.5
188.12895	1.2
201.05338	1.0
201.09236	1.2
215.07143	1.3
233.08142	1.0
241.08740	1.4
247.11908	1.8
259.09662	1.0
267.07178	0.8
292.14102	6.3
364.16144	100.0
365.08716	1.5
365.16409	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	363.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70581	0.3
59.01246	1.1
66.25630	0.3
71.04902	0.4
85.02821	0.7
86.55679	0.3
87.00756	1.3
89.03837	1.3
97.06476	1.8
109.02827	0.4
117.03357	22.9
118.03703	1.1
121.02814	0.4
130.04118	0.4
131.04979	0.7
135.04330	0.4
143.04895	0.4
145.02867	100.0
146.03667	23.0
147.04474	2.6
148.05101	0.3
152.01010	0.3
156.05708	0.6
157.06447	0.4
159.04451	0.6
160.05202	0.6
161.02423	0.8
162.03142	0.4
163.03937	0.5
168.89902	0.3
172.05278	0.5
173.05963	0.5
174.03133	0.4
185.06058	1.8
186.06781	0.8
187.03955	0.4
187.07510	0.4
188.04628	0.4
189.01878	3.3
190.02623	1.2
199.07671	0.9
201.05539	0.5
207.02745	0.3
213.05705	0.5
214.06252	1.0
215.10745	4.5
216.11038	0.6
221.04585	0.4
225.09169	0.6
243.10251	13.7
244.10530	1.1
255.03203	0.5
275.12970	1.2
287.09256	2.5
317.03110	0.4
319.12219	0.4
363.10965	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	363.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.9
57.15391	1.9
59.01252	7.7
63.13997	2.1
68.99688	1.7
69.29935	14.7
69.30340	3.9
71.04897	3.9
73.31047	1.8
83.04899	2.6
85.02809	4.6
87.00751	22.0
89.23501	2.3
93.03342	2.8
97.06493	2.2
98.20538	4.0
99.58212	2.0
102.81997	1.8
108.02084	3.8
111.04396	2.3
121.02859	3.0
124.01495	3.0
133.02861	2.7
134.03653	2.2
135.04472	3.5
137.02354	29.1
139.03874	7.6
143.04927	2.1
145.02831	7.2
146.03616	15.7
147.04399	33.8
148.05208	17.8
149.05972	8.2
156.05656	3.3
159.04417	7.0
160.05199	8.0
161.06000	9.3
162.03139	5.7
162.06749	7.5
163.03938	12.9
164.04660	3.7
171.08066	2.1
172.05162	5.2
173.05934	6.0
174.03093	3.5
174.06802	7.3
175.04044	2.1
175.07565	61.9
176.04665	2.5
176.07980	2.1
177.05463	5.2
179.03412	2.4
183.04367	2.5
185.06010	11.7
186.06822	17.7
187.03915	6.8
187.07529	8.6
188.04701	3.6
189.05457	7.0
189.09135	5.3
190.02608	3.2
190.06288	3.7
191.03432	71.9
191.07013	4.1
192.04199	21.6
193.04723	2.9
196.05191	5.2
197.09610	5.5
199.03870	4.6
199.07602	17.2
200.08304	7.0
201.05508	2.7
201.09193	4.3
202.06241	6.4
203.07053	18.3
207.02911	2.3
207.10205	2.4
209.06042	3.8
210.06862	2.2
213.05475	6.1
213.09117	5.8
214.06288	17.4
215.10713	81.0
216.10997	6.2
217.04753	2.2
217.08707	3.1
217.12270	4.1
219.06596	14.3
223.07578	4.6
225.09122	16.9
227.07005	3.6
231.02892	4.2
231.06473	4.7
231.10226	19.0
232.10683	3.5
236.03293	3.5
241.08630	5.4
242.09361	3.2
243.10245	100.0
244.10571	8.6
246.05309	6.5
247.06085	23.3
247.13309	17.9
248.06818	2.5
257.11655	2.9
259.09747	27.4
260.10263	5.8
266.04239	5.5
269.08310	3.1
275.09302	13.1
275.12903	32.5
276.09900	4.6
287.09222	38.3
288.09558	3.5
291.12381	24.8
292.12827	2.3
304.09451	4.8
309.18829	2.1
311.74640	2.2
319.08179	4.1
319.11874	56.2
320.12033	5.7
331.08313	3.0
363.10916	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.16933	0.5
59.01253	3.4
61.57517	0.5
69.82093	2.8
87.00751	0.7
89.91542	0.5
93.03339	4.0
95.01282	0.6
98.20497	0.8
101.65649	0.5
108.02058	1.3
109.02838	8.4
119.04919	1.3
121.02849	29.5
122.03643	19.2
123.04452	3.3
124.01576	2.6
125.02328	0.7
129.03346	2.2
134.03630	1.3
135.04457	3.4
136.01561	0.8
136.05151	1.9
137.02348	4.1
138.03064	0.7
146.03641	1.6
147.04420	12.8
148.05144	1.5
149.05980	2.2
150.03082	0.8
153.01761	0.6
154.02646	3.4
159.04480	0.8
160.05263	0.9
161.06015	4.5
163.03951	0.8
164.04726	1.1
165.05492	34.5
166.05841	1.8
168.04166	0.6
175.03925	0.8
175.07530	0.6
178.06259	0.7
179.07057	11.6
189.05470	0.5
190.06297	0.5
191.07050	0.6
193.08510	0.6
209.08136	1.6
209.11771	0.9
223.09721	1.2
229.08621	2.0
257.08231	1.1
285.04697	0.8
285.07730	3.6
285.11057	1.0
301.10812	0.8
313.14423	1.4
315.12372	4.0
316.13190	0.6
319.21213	1.9
343.04553	1.0
345.13300	0.8
345.80502	0.6
346.09970	0.6
346.14224	11.7
347.14749	1.3
361.16559	100.0
362.16916	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	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21675	1.6
50.61499	1.7
59.01233	2.8
62.17149	1.8
65.41032	1.7
65.90252	1.8
71.01265	2.3
75.37736	1.6
75.67119	1.9
78.15201	1.6
87.00756	100.0
103.78767	2.0
112.05120	1.7
114.66764	1.5
121.67522	1.6
123.55683	1.8
130.99719	2.2
146.03627	2.0
147.04372	3.1
149.06010	2.7
157.35762	1.7
163.03979	2.6
175.07562	4.6
186.06712	2.4
187.07544	1.9
191.03479	8.8
192.04210	2.2
201.09171	2.2
203.03499	2.4
213.01852	4.1
213.05493	1.9
214.06264	3.3
215.07115	1.9
215.10745	4.9
216.04250	9.5
217.05022	7.3
218.05774	6.1
225.09126	2.6
231.02969	33.9
231.06598	6.4
234.05441	1.9
243.10239	13.5
244.10513	2.4
245.04597	3.3
246.05316	70.7
247.05713	5.5
249.11586	1.7
257.08197	4.4
275.09259	13.7
275.12433	2.3
276.09833	2.0
287.09164	3.1
288.09540	1.8
290.04315	7.2
301.07651	1.9
319.08472	4.0
319.11957	4.8
334.03290	18.4
335.03641	3.7
363.07214	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	361.093
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
55.44478	0.7
59.01245	2.8
63.02264	2.3
64.71650	0.6
71.01227	0.7
85.02863	0.6
95.01261	9.1
95.59799	0.7
98.36674	0.8
107.01268	9.5
109.02820	1.0
111.00785	2.2
121.02859	0.9
122.99918	1.0
123.00776	15.1
124.01554	12.0
125.02372	1.9
137.02342	7.4
139.00209	0.9
141.01799	1.0
145.02939	0.7
147.04474	0.9
149.02339	1.3
151.00270	49.5
152.01067	23.2
153.01695	1.3
159.04407	1.0
164.01076	1.3
165.01854	8.7
166.02609	1.3
166.99715	1.0
169.01361	1.1
169.02846	1.0
174.03123	1.9
175.03978	1.0
177.01819	0.9
177.05540	0.8
178.99847	1.7
179.03452	3.0
185.02463	1.5
186.03119	1.3
187.03842	1.3
193.01331	4.1
197.02399	1.9
198.03192	1.3
199.03906	1.1
201.01872	1.9
203.03432	1.9
211.04059	0.9
213.01933	4.1
214.02609	2.9
215.03432	2.4
217.01546	1.0
225.01923	1.0
226.02663	2.2
227.03450	1.5
229.01451	1.1
230.02164	1.6
231.02924	0.7
239.03494	1.8
241.01402	3.2
241.05032	1.8
242.02205	3.0
243.03021	3.2
251.03476	1.4
253.01352	1.3
259.02466	1.7
267.03033	2.4
268.03799	1.2
269.00937	6.6
269.04581	2.1
270.01712	2.6
271.02509	2.7
273.04404	1.0
281.00909	2.2
282.05099	1.1
285.04047	3.0
286.01227	0.9
286.04782	0.8
287.01974	1.3
287.05115	0.7
297.00446	5.5
297.03635	1.3
298.01221	2.2
299.01956	2.7
301.03564	4.3
302.04031	0.9
305.06760	1.2
311.05563	2.1
313.03528	7.5
317.06531	1.6
328.05859	2.0
329.06531	1.1
331.04565	10.4
333.06134	0.9
343.08389	2.3
343.15274	0.9
346.06888	4.6
361.05496	20.2
361.09344	100.0
362.05908	2.6
362.09653	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	361.0565
Annotation	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01249	1.7
60.43590	1.1
63.42136	1.2
68.99702	1.1
74.35851	0.9
87.00755	1.3
89.17049	0.9
91.05408	2.5
92.79224	1.2
95.01273	8.8
105.03329	3.4
107.01283	9.9
111.00753	2.0
115.05425	2.3
119.04914	2.4
121.02841	3.7
123.00785	8.3
124.01575	2.6
125.02319	4.7
137.63477	1.1
143.04945	2.9
145.02841	2.1
146.03636	1.3
147.04428	16.4
149.05989	3.0
151.00285	26.9
152.00656	1.7
158.03654	4.1
159.04405	2.7
161.02374	2.9
170.03639	2.7
171.04457	6.1
174.03127	3.0
176.01051	1.7
185.02466	2.2
185.06023	1.3
186.03128	5.6
187.03896	4.9
189.01845	6.0
190.02579	1.7
191.03407	3.7
193.04965	2.2
197.02354	4.4
198.03181	8.9
199.03941	8.3
200.01190	1.5
200.04564	1.2
201.01865	3.5
201.05470	1.5
202.02628	1.4
213.01880	3.0
213.05507	1.3
214.02669	44.5
215.03378	13.9
216.04005	1.3
217.01338	1.3
218.02112	1.5
218.05800	2.7
225.01962	9.2
226.02701	15.9
227.03384	5.5
229.01395	4.6
229.04939	1.7
229.08617	1.4
230.02197	2.6
230.05707	2.1
230.15501	1.4
231.02914	1.2
232.03729	1.1
241.01329	1.3
241.04980	1.8
241.91554	1.1
242.02170	15.0
243.02954	33.3
244.03287	1.8
246.05275	1.2
253.01373	5.9
255.03192	1.7
257.04486	6.8
258.01770	9.5
258.05261	13.4
259.02338	3.8
259.05762	1.7
269.01007	3.1
270.01746	14.4
271.02261	3.2
274.04636	1.6
285.04071	32.0
285.07211	1.1
286.04483	3.6
287.01938	1.8
287.05359	1.3
301.03598	5.3
301.20004	1.3
302.04330	19.9
303.04999	1.6
317.06650	57.7
318.06927	7.9
319.21188	2.3
329.03149	3.3
333.06036	3.4
346.14874	1.3
361.05643	100.0
361.16711	4.0
361.22180	1.9
362.06061	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	361.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
68.99693	6.4
69.03336	1.2
71.54105	0.9
75.56350	0.6
77.03867	0.9
78.83343	0.6
79.05415	2.7
82.51814	0.6
91.05409	11.9
93.03339	2.0
95.01280	5.8
95.04906	9.0
97.02850	3.8
101.03780	0.9
102.04612	0.7
103.05423	8.0
105.03352	16.2
106.03670	0.7
108.02073	4.9
109.02813	1.2
111.00781	1.7
117.03369	0.8
118.96066	0.6
119.04932	15.4
119.05738	1.1
121.02848	9.7
122.03649	2.1
123.00782	18.4
124.01571	8.7
125.02361	16.5
129.03375	3.1
131.04942	1.5
132.02113	0.8
133.02893	1.1
133.06503	1.6
137.02361	17.4
139.03920	5.3
145.02861	3.7
146.03609	2.7
147.04431	100.0
148.05249	13.8
148.22833	0.6
149.06003	22.6
150.06381	1.1
163.03931	2.3
164.04703	1.5
165.05431	0.7
173.06030	0.9
175.03954	0.8
175.07611	1.6
187.07458	0.8
191.03455	21.5
192.04211	19.9
193.04994	11.9
194.05327	1.0
207.02908	4.3
217.01404	8.0
218.02089	1.0
219.02959	1.3
224.03183	3.5
235.02460	4.1
236.03242	12.3
237.03548	1.0
244.54190	0.6
247.06317	0.9
273.07709	1.1
275.05679	0.6
289.07260	1.8
317.06693	16.7
318.06985	2.2
343.04587	2.1
361.05673	22.1
361.16653	2.5
362.06085	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	361.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	3.1
59.01242	7.9
61.44763	3.0
61.63097	3.3
65.00208	3.8
71.28997	2.8
91.08244	3.7
95.01265	16.6
98.19753	6.6
107.01276	10.7
107.65657	3.2
111.00750	15.2
121.58162	3.5
123.00803	17.3
124.01579	4.8
125.02308	7.5
137.02328	7.5
139.00262	30.6
148.01598	5.4
149.02448	3.9
149.99530	4.6
151.00273	40.1
154.99788	5.4
157.02803	4.0
158.03612	5.4
159.04417	4.8
161.02361	6.7
163.00262	10.8
166.99760	4.8
169.01375	3.2
169.02913	6.7
173.02364	4.8
174.03101	8.0
176.01105	5.4
177.01837	8.0
178.02693	3.3
178.99734	9.6
185.02374	8.1
186.03069	4.8
187.03972	10.9
189.01747	3.1
191.03607	5.1
193.01242	3.1
193.05000	4.5
197.02452	21.4
198.03183	5.4
199.03978	5.5
201.01872	41.3
202.02574	11.6
203.03381	4.1
213.01891	20.7
214.02748	26.1
215.03447	10.0
216.00583	5.4
217.01434	8.9
225.01854	16.2
226.02588	5.9
227.03493	6.0
229.01370	16.4
230.02115	7.1
231.02882	11.4
241.01392	17.6
242.02173	28.6
243.02922	17.5
245.00883	5.5
253.01434	19.7
255.03191	3.9
255.48872	3.4
257.00858	7.6
257.04590	7.3
258.01736	12.8
258.05084	4.6
259.02432	8.6
269.00882	13.8
270.01685	27.8
271.02441	11.4
273.07736	5.1
283.02451	5.3
285.00809	4.8
285.04001	36.0
286.01227	8.6
286.04315	4.5
287.01907	10.1
289.07123	3.7
297.00418	100.0
297.03781	7.9
298.00848	11.0
299.02100	7.7
299.05533	3.6
300.02710	5.7
301.03543	34.2
301.20303	7.0
302.04153	9.5
312.02664	19.2
313.00131	4.2
313.03510	50.0
314.00671	6.4
314.04163	7.7
315.04877	5.5
317.06680	35.1
319.21384	11.6
327.05151	8.9
328.05856	67.8
329.02985	57.4
329.06464	8.6
330.03278	7.1
331.00940	7.7
333.06262	13.2
343.04575	10.2
346.77130	3.6
361.05670	76.6
361.16599	4.8
361.22293	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	361.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45361	3.0
59.51072	2.9
61.23899	2.9
70.68343	4.1
70.68651	4.8
80.91991	3.4
95.01252	18.8
107.01260	15.7
111.00744	5.7
119.66840	3.1
123.00758	12.6
124.01540	8.3
125.02353	58.7
139.00229	6.2
151.00284	43.8
152.00650	5.7
157.02892	3.5
161.02354	6.9
164.01050	3.4
165.98950	3.5
169.01439	3.4
169.02867	6.6
174.03131	5.4
176.01112	5.1
177.01790	7.8
185.02350	8.0
186.03198	9.0
189.01813	6.6
190.02612	5.3
197.02374	12.9
198.03079	10.9
201.01860	26.5
202.02695	16.9
203.03473	4.3
210.03207	6.1
213.01898	12.0
214.02663	23.7
214.10982	3.3
215.03329	4.3
217.01299	13.5
225.01903	8.3
226.02664	25.3
227.03302	7.5
229.01358	17.1
229.04932	5.0
230.02110	12.2
231.02979	8.0
241.01332	12.0
242.02170	32.6
243.02815	9.4
253.01425	8.6
254.02142	6.1
257.00714	4.3
258.01627	8.9
259.02368	8.9
267.02847	5.1
269.00845	11.9
270.01660	30.8
271.02264	8.3
283.02493	9.8
285.00781	6.1
285.04056	35.1
286.01367	17.9
287.01788	5.9
287.04541	3.9
297.00430	48.2
298.01108	16.8
299.01788	7.1
301.03503	18.3
303.04086	7.4
312.02740	6.4
313.03528	100.0
314.03958	12.2
315.00714	4.7
315.04465	6.7
328.05832	58.1
329.02988	58.1
329.06454	8.5
330.03259	8.6
331.03683	19.3
333.05917	7.7
333.09390	8.2
343.04413	8.2
343.08279	5.5
344.05133	5.4
346.06201	4.7
361.05225	13.4
361.08554	20.6
376.27664	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	359.0774
Annotation	5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.46130	0.9
57.70066	0.7
60.19199	0.8
65.00193	1.3
68.49936	0.8
68.99691	1.9
83.01258	3.0
84.86303	0.8
87.00743	1.3
95.01263	14.8
107.01272	6.4
109.99941	1.8
111.00732	1.7
121.02850	1.0
122.53635	0.9
123.00780	8.6
124.01608	2.0
136.01538	0.7
147.00761	0.8
148.01573	1.8
149.02359	2.6
149.99541	1.0
151.00281	15.8
159.04425	1.3
161.02316	1.3
161.05936	0.8
163.00235	0.9
170.03633	1.6
173.02225	1.1
174.03053	1.0
176.43872	0.8
177.01868	20.0
178.02296	0.9
182.03854	0.9
183.04355	0.9
185.02371	1.2
185.06024	1.9
186.03197	3.0
187.03893	3.0
189.05585	1.2
192.04228	5.9
197.02420	1.7
198.03079	4.7
199.03922	1.2
201.01851	2.5
201.05562	2.3
202.02701	1.8
203.03455	1.5
205.01295	2.6
213.01831	3.7
213.05490	3.8
214.02707	7.5
215.03354	3.1
216.00523	1.0
217.05029	1.9
218.02077	2.0
226.02667	4.5
227.03439	1.6
229.01402	3.5
229.05043	5.9
230.02109	2.7
231.02946	7.0
231.06566	1.1
233.04565	4.9
241.01352	2.7
241.05023	4.9
242.02199	7.5
242.04572	1.0
242.05344	0.9
243.02721	1.5
244.03752	1.4
244.07329	1.3
245.04521	5.7
246.01762	0.9
246.05276	2.7
248.06871	0.9
253.01395	1.0
256.03528	0.9
256.07404	1.3
257.04572	17.1
258.01642	2.7
258.04755	1.9
259.02460	3.3
259.06116	1.6
260.06927	2.3
261.04062	12.9
261.07602	1.9
262.04333	0.9
263.09335	1.0
269.01077	1.2
270.01682	2.3
271.02341	1.4
271.09601	1.0
272.06860	2.5
273.04099	7.9
274.04688	1.4
276.06314	4.0
285.04053	25.3
286.01276	1.5
286.04538	2.6
287.05823	0.9
287.09283	2.3
288.06436	3.2
289.07224	1.1
291.08768	10.3
292.09119	1.1
297.15134	1.5
300.02924	1.6
300.06390	26.7
301.03549	53.6
301.06543	2.0
302.03879	4.4
303.08804	4.7
315.05106	2.8
315.08713	20.0
316.02225	1.4
316.05847	13.3
316.09357	1.2
317.06375	1.2
329.03040	13.8
330.03519	2.0
331.08221	37.0
332.08548	2.6
341.17468	0.9
344.05328	5.9
352.19714	0.8
359.07724	100.0
360.08032	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	359.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.6
59.01238	1.2
59.45758	0.3
59.82951	0.2
61.98702	0.7
64.14036	0.3
69.03289	0.3
69.74192	0.3
71.53512	0.3
71.53905	0.3
72.27793	0.3
79.90263	0.3
85.06459	0.6
86.78313	0.3
87.00750	0.4
95.28421	0.3
109.02779	0.4
137.05959	0.4
147.04404	0.3
151.03871	2.0
152.04195	0.4
176.22620	0.3
177.01878	0.5
179.07076	0.3
183.17442	0.3
191.98785	1.3
199.03816	0.3
207.01158	0.7
214.02623	0.6
225.15889	0.3
227.16451	1.4
242.02051	0.4
242.90027	0.3
271.22720	0.5
286.01288	0.4
295.22876	0.4
301.03473	1.0
311.25793	1.4
313.23837	7.7
314.24164	0.5
315.15927	0.8
325.23795	0.4
329.03082	2.6
330.03497	0.3
341.26898	1.7
343.24905	0.5
344.05331	1.1
359.07669	4.7
359.28012	100.0
360.07922	0.5
360.28339	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	360.0714
Annotation	2-methyladenosine 5'-phosphate
Peak:m/z	Relative Intensity
56.15338	1.0
59.01236	1.2
71.52723	1.2
74.17644	0.9
76.49471	1.0
77.92133	1.1
78.95780	33.5
85.02811	1.2
92.02402	1.1
107.03509	5.2
110.98412	19.8
134.04623	100.0
135.05026	1.9
152.99500	8.0
155.53929	1.2
178.94717	1.0
225.01669	1.4
360.07132	50.3
361.07352	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	361.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45361	3.0
59.51072	2.9
61.23899	2.9
70.68343	4.1
70.68651	4.8
80.91991	3.4
95.01252	18.8
107.01260	15.7
111.00744	5.7
119.66840	3.1
123.00758	12.6
124.01540	8.3
125.02353	58.7
139.00229	6.2
151.00284	43.8
152.00650	5.7
157.02892	3.5
161.02354	6.9
164.01050	3.4
165.98950	3.5
169.01439	3.4
169.02867	6.6
174.03131	5.4
176.01112	5.1
177.01790	7.8
185.02350	8.0
186.03198	9.0
189.01813	6.6
190.02612	5.3
197.02374	12.9
198.03079	10.9
201.01860	26.5
202.02695	16.9
203.03473	4.3
210.03207	6.1
213.01898	12.0
214.02663	23.7
214.10982	3.3
215.03329	4.3
217.01299	13.5
225.01903	8.3
226.02664	25.3
227.03302	7.5
229.01358	17.1
229.04932	5.0
230.02110	12.2
231.02979	8.0
241.01332	12.0
242.02170	32.6
243.02815	9.4
253.01425	8.6
254.02142	6.1
257.00714	4.3
258.01627	8.9
259.02368	8.9
267.02847	5.1
269.00845	11.9
270.01660	30.8
271.02264	8.3
283.02493	9.8
285.00781	6.1
285.04056	35.1
286.01367	17.9
287.01788	5.9
287.04541	3.9
297.00430	48.2
298.01108	16.8
299.01788	7.1
301.03503	18.3
303.04086	7.4
312.02740	6.4
313.03528	100.0
314.03958	12.2
315.00714	4.7
315.04465	6.7
328.05832	58.1
329.02988	58.1
329.06454	8.5
330.03259	8.6
331.03683	19.3
333.05917	7.7
333.09390	8.2
343.04413	8.2
343.08279	5.5
344.05133	5.4
346.06201	4.7
361.05225	13.4
361.08554	20.6
376.27664	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
59.01252	3.5
60.99181	6.1
67.01759	15.4
69.03323	6.3
71.01259	6.4
71.54052	1.1
73.02832	0.7
81.03335	2.6
83.04906	2.7
85.02837	2.1
87.00758	23.5
93.03339	100.0
94.03686	2.8
96.43941	0.7
99.00764	1.9
99.04402	2.4
108.02104	0.9
109.02877	1.1
111.00749	1.0
111.04408	15.4
111.08045	1.4
112.08234	0.7
113.02341	2.3
126.48134	0.7
128.50275	0.6
129.01811	3.3
136.98686	0.8
137.02380	1.6
139.11200	2.4
143.03423	0.9
148.69460	0.7
149.06071	1.0
155.03423	4.3
157.70462	0.6
173.04477	53.8
174.04805	2.6
183.10188	3.2
190.79372	0.7
191.05553	17.3
227.07126	0.7
237.04039	1.3
299.01984	0.8
312.02780	1.2
323.15976	2.0
327.01492	2.7
335.24591	0.8
342.07480	1.3
357.06253	5.7
357.10144	4.3
357.15536	70.2
358.06339	0.9
358.11606	1.1
358.15900	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01257	3.1
60.99173	0.7
67.01759	4.8
69.03328	2.9
71.01257	3.4
71.54058	0.5
73.02811	0.4
74.35213	0.4
75.09963	0.4
81.03326	0.9
83.04905	0.9
83.38583	0.3
85.02831	0.8
87.00755	1.5
89.02275	0.4
93.03336	31.0
94.03651	0.6
101.02340	0.5
108.02064	0.4
109.02813	1.1
111.00764	1.0
111.04409	5.2
111.08006	0.5
119.04887	0.8
126.61774	0.4
126.62696	0.3
137.02344	4.7
139.11160	1.8
149.05992	0.6
155.03401	4.6
173.04471	100.0
174.04810	3.7
183.08618	0.4
183.10176	8.6
193.05020	0.4
197.06741	0.4
199.52217	0.4
357.10074	1.6
357.15570	7.1
358.15961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.6
59.01245	3.3
69.03331	12.0
69.25249	2.9
69.25665	1.6
70.03619	0.5
71.01257	2.3
71.04888	3.0
71.95440	0.5
78.32220	0.4
81.03331	0.8
83.04897	1.5
85.02812	1.6
85.06471	0.6
87.00766	1.2
89.02312	1.3
93.03336	4.4
98.19758	0.8
101.02313	1.2
111.04403	4.4
111.08051	3.4
113.02291	1.3
113.05965	1.8
119.03397	0.6
123.08061	1.1
129.01804	0.7
135.04449	0.4
137.02341	0.6
139.11183	18.7
140.11546	0.9
141.88513	0.5
149.05954	0.9
155.03424	5.1
157.51938	0.4
167.25012	0.4
173.04483	7.5
177.09059	0.6
183.10194	100.0
184.10539	5.1
191.05547	1.0
193.04982	0.8
209.04526	0.5
269.00903	0.6
327.05176	0.9
342.07468	1.1
357.09900	2.5
357.15567	11.0
358.15878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42124	1.1
51.42817	0.9
57.03323	4.3
59.01249	3.1
60.47306	1.3
60.98705	1.0
65.00201	4.4
67.01759	3.6
68.99707	5.8
69.68755	2.7
69.69155	4.3
71.01241	2.1
81.03310	3.2
83.01259	28.8
97.02838	1.3
98.20562	2.2
107.01283	5.1
109.02821	9.2
111.00774	2.1
123.72260	1.0
125.02341	46.0
126.02711	1.5
149.02332	2.7
151.00285	22.6
153.01840	100.0
154.02165	3.8
177.01855	2.0
178.99809	2.9
186.02173	1.1
195.02818	2.0
287.07770	1.6
315.07199	8.1
356.31238	1.3
359.06137	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	359.0772
Annotation	Dibefurin
Peak:m/z	Relative Intensity
53.19410	0.4
57.20805	0.4
68.99678	0.7
69.03342	0.5
69.95375	1.9
69.95785	0.9
93.99419	0.5
95.01273	3.1
107.01257	2.5
111.00760	0.8
123.00775	3.7
123.87137	0.5
124.01563	9.3
126.09224	0.5
146.03667	0.5
148.01559	0.7
148.26239	0.5
151.00279	12.2
158.03604	1.1
159.04361	0.6
161.02312	0.7
163.00237	1.0
170.03596	0.9
173.02322	1.0
174.03130	1.1
177.01859	3.2
183.04424	0.6
186.03180	2.4
187.03857	0.5
189.01868	1.2
192.04224	1.0
198.03157	2.8
199.04012	0.9
200.01117	0.6
201.01830	1.4
201.05566	0.7
202.02638	2.1
210.03288	0.6
211.03883	1.3
213.01921	1.3
213.05560	1.7
214.02661	4.2
215.03320	0.9
216.00595	0.7
217.04904	1.1
218.22641	0.5
224.04649	0.6
225.01855	1.3
226.02704	3.6
227.03372	1.9
229.01346	0.7
229.05046	1.1
230.02191	2.6
239.03427	0.9
240.00603	1.1
241.01231	1.2
241.05013	3.5
242.02202	6.9
243.02826	1.5
245.04524	1.9
253.01465	1.4
254.02161	1.6
255.02959	1.9
256.03592	0.6
256.07437	1.2
257.04556	5.1
258.01694	4.1
258.04214	0.7
260.06882	0.9
261.04047	1.1
267.03036	0.8
268.00095	2.0
269.00861	1.5
269.04504	1.2
270.01718	4.4
271.02460	2.7
271.09729	1.0
272.06754	1.0
273.04001	1.9
281.00870	0.6
283.02542	3.9
284.03265	0.7
285.04031	13.3
286.01141	4.2
286.04501	1.4
287.02020	0.6
287.09274	1.8
288.06458	1.0
291.08597	0.6
295.99738	0.7
297.00507	5.4
297.03781	0.8
298.01065	2.4
298.04391	0.9
299.01996	4.5
299.05316	1.2
300.02850	1.1
300.06366	4.3
301.03516	13.8
301.06934	1.1
302.03909	1.0
303.08722	3.5
311.01944	4.7
313.00079	0.4
313.03552	11.4
313.06946	0.5
314.00662	4.7
314.04236	3.0
315.05270	0.9
315.08667	7.3
316.05905	1.2
316.09177	0.8
317.06567	0.8
326.04370	0.7
327.05099	1.0
328.05847	3.8
329.03024	52.4
329.06525	3.6
330.03412	3.9
330.06912	0.9
331.08264	6.5
332.08878	2.1
341.06720	5.3
343.04352	2.9
343.08124	0.7
344.05331	22.7
345.05615	2.1
359.07700	100.0
360.08051	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	357.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77535	0.5
57.40520	0.6
59.01105	1.8
59.01421	1.0
59.09308	0.7
61.96790	0.6
63.21377	0.6
69.79643	3.0
71.01118	0.9
78.87781	0.6
85.02698	0.9
87.00587	2.2
93.03211	1.1
97.06329	1.2
98.20571	0.8
109.02708	0.8
118.63364	0.6
121.02669	0.8
123.00587	1.7
125.02333	0.6
136.01387	0.6
147.04170	1.1
149.05986	9.8
152.06900	1.2
159.04234	0.9
161.02187	0.6
163.03658	0.5
165.17671	0.6
172.05103	0.9
173.04311	1.4
173.05742	1.2
175.03719	1.4
185.05782	1.0
187.03896	0.9
187.07405	1.1
188.04651	0.8
189.05280	0.8
191.05276	1.0
192.04033	0.7
193.04994	12.2
197.02171	2.0
211.03801	0.7
213.01706	1.3
215.06866	0.8
219.02818	0.7
225.01892	8.5
225.08905	0.8
226.02429	1.6
226.04671	0.7
228.04173	1.1
239.03302	0.8
241.01328	3.9
243.10251	0.8
253.01494	3.1
255.03101	2.9
255.05319	0.6
256.03558	2.2
267.02805	0.8
268.03525	1.7
269.00961	7.9
273.07434	0.7
281.00818	1.0
283.02600	6.2
283.05600	1.0
284.03235	9.4
285.03561	0.7
295.09225	1.4
296.03137	1.2
297.00433	14.3
298.00754	0.8
299.05667	4.6
311.01929	5.7
312.02768	41.7
313.03058	4.0
313.06635	1.1
313.10254	0.8
327.05081	35.4
327.08395	1.3
328.02072	0.8
328.05383	3.0
339.16031	1.2
342.07425	100.0
343.03720	0.8
343.07813	10.0
357.06210	2.2
357.09799	40.1
357.17007	2.7
358.10089	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	357.0982
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.77535	0.5
57.40520	0.6
59.01105	1.8
59.01421	1.0
59.09308	0.7
61.96790	0.6
63.21377	0.6
69.79643	3.0
71.01118	0.9
78.87781	0.6
85.02698	0.9
87.00587	2.2
93.03211	1.1
97.06329	1.2
98.20571	0.8
109.02708	0.8
118.63364	0.6
121.02669	0.8
123.00587	1.7
125.02333	0.6
136.01387	0.6
147.04170	1.1
149.05986	9.8
152.06900	1.2
159.04234	0.9
161.02187	0.6
163.03658	0.5
165.17671	0.6
172.05103	0.9
173.04311	1.4
173.05742	1.2
175.03719	1.4
185.05782	1.0
187.03896	0.9
187.07405	1.1
188.04651	0.8
189.05280	0.8
191.05276	1.0
192.04033	0.7
193.04994	12.2
197.02171	2.0
211.03801	0.7
213.01706	1.3
215.06866	0.8
219.02818	0.7
225.01892	8.5
225.08905	0.8
226.02429	1.6
226.04671	0.7
228.04173	1.1
239.03302	0.8
241.01328	3.9
243.10251	0.8
253.01494	3.1
255.03101	2.9
255.05319	0.6
256.03558	2.2
267.02805	0.8
268.03525	1.7
269.00961	7.9
273.07434	0.7
281.00818	1.0
283.02600	6.2
283.05600	1.0
284.03235	9.4
285.03561	0.7
295.09225	1.4
296.03137	1.2
297.00433	14.3
298.00754	0.8
299.05667	4.6
311.01929	5.7
312.02768	41.7
313.03058	4.0
313.06635	1.1
313.10254	0.8
327.05081	35.4
327.08395	1.3
328.02072	0.8
328.05383	3.0
339.16031	1.2
342.07425	100.0
343.03720	0.8
343.07813	10.0
357.06210	2.2
357.09799	40.1
357.17007	2.7
358.10089	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	357.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74197	2.9
77.79160	0.5
87.00735	1.6
123.04437	0.4
162.03207	0.5
181.02855	0.5
182.03644	0.7
197.02342	2.7
199.03894	0.7
201.01958	1.0
209.02382	1.4
211.03937	1.4
212.04663	2.0
213.01816	1.1
214.02544	0.6
215.03560	0.9
224.04713	1.1
225.01892	6.7
226.02521	0.9
226.99835	0.6
227.03490	1.0
227.07176	0.8
228.04189	1.2
229.01358	1.1
229.04999	0.5
239.03438	2.1
239.07121	2.2
240.04242	5.8
241.01387	5.1
241.04970	0.6
243.03030	1.0
253.01416	6.0
254.01999	1.0
255.02960	1.4
255.06567	1.4
256.03815	2.9
267.02881	1.1
268.03729	4.4
269.00919	13.0
269.03989	1.0
270.01407	0.6
281.00967	2.1
282.01575	0.7
283.02505	3.7
283.06018	1.3
284.03262	17.2
285.03720	1.6
288.65802	0.6
296.03293	3.1
297.00439	8.6
297.03812	1.1
298.01175	0.9
298.04889	1.2
299.02182	0.8
299.05627	12.8
300.05991	1.2
303.16705	0.5
311.02045	3.4
311.05341	0.8
312.02765	28.0
313.03119	2.5
313.07068	1.0
314.07983	8.6
326.04370	1.8
327.05103	37.0
328.05319	3.7
341.06769	1.9
342.07440	60.5
343.07837	7.1
343.19406	0.6
357.09790	100.0
358.02969	0.5
358.10141	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85785	1.2
59.01237	1.4
69.62458	3.9
69.62889	5.0
81.97561	1.2
89.01008	1.2
93.03320	1.3
98.20625	2.0
100.80319	1.3
108.27734	1.4
129.53230	1.3
149.05974	9.8
193.05051	8.0
197.02379	5.1
209.02457	2.0
212.04802	3.0
213.01866	2.0
215.03430	1.8
225.01918	9.6
226.02415	1.6
228.04213	2.1
239.07080	2.1
240.04228	7.8
241.01419	6.2
241.04951	1.8
243.03078	2.5
253.01367	7.1
255.03120	2.6
256.03827	3.2
267.03012	2.5
268.03772	4.8
269.00906	18.4
281.00848	1.5
283.02469	5.6
283.05728	1.5
284.03247	21.7
285.03613	2.8
296.03305	5.2
297.00479	8.0
297.03525	1.9
299.05612	16.7
311.02029	4.3
312.02783	35.0
313.03171	2.2
314.07840	10.7
326.04413	2.1
327.05133	47.9
327.09052	2.7
328.05527	3.5
342.03217	2.7
342.07455	74.5
343.07867	5.3
357.09805	100.0
357.16998	2.9
358.10147	10.8
379.63470	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	357.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21582	0.3
69.30677	2.3
70.32934	0.2
77.58586	0.3
97.97885	0.3
99.80232	0.2
145.02907	0.3
146.03659	0.3
147.00754	0.3
169.02838	0.8
171.10121	0.3
182.03632	0.5
184.05052	0.4
185.02390	0.4
186.06769	0.3
186.41536	0.3
187.03873	0.5
197.02385	3.6
198.03008	0.8
199.07623	0.4
200.04681	0.5
200.08539	0.4
201.01894	1.0
201.09001	0.4
209.02487	1.4
210.03105	0.8
211.03897	1.8
212.04729	2.5
213.01814	1.7
213.05264	0.4
214.02638	0.4
214.06285	2.4
215.03455	0.7
216.04214	0.4
223.03941	0.4
224.04846	1.4
225.01892	8.7
226.02443	1.2
226.99930	0.5
227.03423	1.1
227.07036	0.5
228.04269	1.6
229.01311	1.2
229.04922	0.5
235.52946	0.3
237.01826	0.4
238.02647	0.6
239.03545	2.2
239.07100	1.9
240.04224	6.1
241.01381	5.6
241.04828	0.9
242.02110	1.5
243.02930	1.2
244.03775	0.6
252.00594	0.6
253.01407	6.5
254.02040	0.8
255.02950	2.4
255.06671	1.7
256.03741	4.3
257.04361	0.9
259.06012	0.6
266.02209	0.5
267.03049	1.5
268.03754	4.3
269.00922	14.6
269.03922	0.9
270.01294	1.1
270.05103	0.3
271.06107	0.7
280.00073	0.7
281.00912	1.4
282.01630	1.0
283.02469	4.2
283.06033	1.4
284.03268	19.8
285.03595	1.2
285.07260	0.3
295.02567	0.4
296.03235	4.4
297.00452	9.4
297.03882	1.2
298.00781	0.9
298.04745	1.5
299.05603	16.9
300.05954	1.8
311.01990	4.1
311.05563	1.1
312.02759	35.3
313.03094	3.1
313.06873	0.7
314.07950	12.0
315.08331	1.2
321.15118	0.5
326.04382	1.9
327.05090	50.4
328.05441	5.0
339.16040	3.0
341.03046	0.5
341.06641	2.9
342.07437	75.7
343.07809	7.7
357.09793	100.0
357.17090	4.8
358.06595	0.4
358.10144	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	9.7
59.01238	10.3
60.65032	2.8
71.00553	5.2
71.01243	12.0
72.99171	10.6
75.00746	45.2
85.02797	4.0
87.00743	6.2
89.00299	2.8
89.02306	5.5
93.03357	2.6
93.75664	2.5
101.02323	5.8
105.03328	7.6
113.02324	4.4
119.04916	3.9
121.02841	8.6
123.00761	6.2
124.01529	9.5
129.01802	7.6
133.02844	39.6
134.03619	4.6
135.04388	7.6
136.01576	6.8
137.02379	5.0
137.05956	8.4
139.03889	5.4
147.02896	9.1
147.50746	2.6
149.02325	7.2
150.03139	44.5
151.03976	5.3
153.05499	3.0
165.03973	100.0
165.05423	11.4
166.04314	3.7
177.01808	4.7
192.04150	4.2
193.05008	3.1
194.02106	10.5
209.02458	4.1
209.04477	78.1
210.04765	4.4
357.07990	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01251	0.8
65.00201	1.2
81.74586	0.8
83.04925	0.9
84.02061	1.0
87.00761	3.0
95.04896	0.7
97.06499	1.1
98.19785	1.6
108.27379	0.6
114.04617	0.7
121.02845	1.4
123.00807	1.0
124.25536	0.7
125.09648	0.6
133.13078	0.9
135.04459	0.7
136.98714	2.1
145.02843	1.2
146.03624	1.0
169.02800	0.8
171.10217	2.3
185.02333	0.7
188.04675	1.4
193.12265	0.9
195.02760	0.7
197.02341	2.4
199.04045	1.4
209.11919	0.8
211.03944	0.8
211.13316	1.3
212.01062	1.2
213.01813	2.0
225.01880	9.4
225.14861	1.3
226.02501	1.9
227.03499	2.4
228.04282	1.2
229.01352	1.1
229.08713	1.0
239.03409	0.9
240.00629	1.5
240.04239	0.9
241.01401	4.9
243.02965	0.9
243.16136	0.9
251.16524	0.9
253.01430	3.3
254.02251	0.8
255.02921	7.3
256.03629	2.0
268.03729	1.3
269.00946	8.2
269.03763	1.3
269.14914	0.8
269.17535	0.9
270.01233	0.9
281.00858	1.1
283.02524	6.3
284.00089	1.0
284.03232	11.5
285.03665	1.4
286.04810	1.4
296.03110	1.0
297.00381	13.4
299.01947	4.5
299.05615	5.9
300.02441	0.8
311.02029	6.8
312.02759	49.3
313.03201	4.7
314.04254	1.5
318.03860	1.6
326.04370	1.5
327.01419	12.4
327.05109	50.1
328.01892	1.4
328.05392	4.7
329.06625	1.9
339.15982	1.7
341.02917	0.9
342.07434	100.0
343.03885	0.9
343.07736	11.1
357.06012	17.9
357.09830	48.8
357.16406	7.1
357.22739	7.5
357.26605	4.3
358.06482	2.4
358.10126	4.8
375.11365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1552
Annotation	Juglanin A
Peak:m/z	Relative Intensity
59.01236	5.4
69.21540	16.6
71.01253	3.8
73.02789	1.6
77.59045	1.5
91.05376	1.6
109.02802	2.2
121.02811	4.2
123.00745	3.9
124.01569	4.7
125.02314	2.5
134.03616	9.5
135.04353	4.9
136.01546	2.0
138.03130	2.3
139.03879	3.5
145.09747	4.5
145.24838	1.5
147.04364	4.3
147.08014	1.6
148.05194	7.6
149.02338	6.1
150.03127	50.0
151.03621	3.5
159.04434	1.8
163.03903	4.9
164.04645	1.8
165.05490	23.3
173.06120	1.8
175.07565	2.7
177.05528	1.9
177.09148	21.5
183.01036	2.2
185.06271	1.7
187.07532	5.6
188.08383	1.8
189.09140	18.0
193.07063	2.2
201.09050	2.0
203.10715	77.7
204.11105	5.8
215.10692	4.2
234.40508	1.6
271.06076	4.5
286.08344	2.4
289.18076	2.3
297.07755	5.3
323.12689	2.2
340.13080	7.3
355.01050	3.3
355.15485	100.0
355.19138	5.0
355.29599	11.6
356.15839	10.9
356.29745	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01215	2.9
63.81413	2.0
69.46424	7.7
69.46828	4.9
74.80737	1.7
75.43822	1.9
81.73819	2.2
85.02819	2.5
90.36747	1.9
98.20628	3.7
98.95511	2.5
109.02839	3.4
122.03618	7.9
135.04411	26.0
147.08043	3.8
149.09636	7.1
161.09622	9.5
163.11205	60.7
164.08353	19.0
164.11542	3.0
165.09105	8.9
177.09119	56.2
178.09871	23.3
179.10699	70.9
180.11092	4.2
183.10144	2.4
191.10724	12.9
193.08591	10.2
228.67281	2.3
248.56107	2.2
298.15738	55.0
299.16132	6.2
337.21698	49.3
338.22095	8.1
340.20428	88.2
341.20798	8.7
355.22781	100.0
356.23151	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27411	4.7
53.59584	4.8
54.00723	4.5
59.01253	5.3
61.98702	80.7
65.00202	6.2
81.99408	5.2
83.78370	4.2
86.70872	5.0
95.42027	5.1
121.02835	18.8
123.04368	9.6
136.98747	9.9
149.05986	12.6
150.06386	8.7
159.93835	5.6
183.04630	5.1
211.94905	5.0
240.00710	6.2
253.01471	6.7
255.02960	18.5
269.00900	11.5
284.03235	16.5
286.11630	13.3
286.40173	5.3
297.00342	13.8
299.01907	17.0
299.05530	14.8
312.02676	27.9
314.08115	11.3
327.01361	42.6
327.05109	51.0
327.11911	5.5
329.06573	6.8
338.14880	11.5
341.02652	5.8
342.03668	11.3
342.07385	64.3
356.15814	17.7
357.06033	100.0
357.09827	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01249	2.6
65.00191	4.7
69.41848	2.8
69.42258	1.0
81.31226	0.5
85.02825	0.5
85.30418	0.4
87.00743	0.6
99.81073	0.5
113.02283	0.5
115.35436	0.4
119.50492	0.4
136.98708	11.7
137.99092	0.5
151.00365	0.5
156.02074	1.4
160.01582	1.3
161.02379	1.1
164.98215	2.5
171.04434	0.6
172.01578	1.3
183.04424	0.9
184.01572	2.7
185.02365	1.1
187.03928	1.2
188.01083	0.9
196.01598	2.6
197.02299	0.6
198.03136	1.4
199.03882	3.2
200.01088	1.6
201.01799	0.7
203.03322	0.8
211.03952	1.2
212.01060	4.3
213.01811	1.4
213.05499	1.1
215.03462	0.9
216.00562	1.6
217.05016	1.3
223.13286	0.6
225.01881	0.9
226.02663	1.5
227.03453	7.6
228.00661	3.4
228.03923	0.8
229.01268	1.8
230.02309	0.8
231.02939	1.4
240.00641	3.5
240.04208	0.6
241.01321	1.1
241.04916	1.1
242.02318	0.8
242.05659	0.6
243.02866	3.4
255.02962	19.3
256.00137	1.2
256.03387	1.4
258.05298	0.8
259.05908	0.5
268.00281	0.6
269.00864	0.8
270.01657	1.2
270.05356	1.5
271.02481	7.6
283.02469	1.4
283.99557	1.6
285.04047	2.4
286.04773	5.0
290.04330	0.9
298.00873	0.5
299.01962	24.2
299.04926	0.9
300.02371	2.3
301.07248	0.7
313.03470	4.4
314.04285	6.8
315.04639	0.8
318.03763	5.6
319.04288	0.7
327.01456	53.2
328.01868	5.4
329.06635	10.1
330.07092	1.1
341.02985	4.9
342.03781	11.8
343.04169	1.8
357.06155	100.0
358.06580	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.44709	0.3
59.01253	0.5
65.00218	0.3
69.29835	1.2
69.30267	1.6
72.82465	0.3
77.51218	0.3
79.95586	0.4
94.66463	0.3
96.95883	3.6
98.20540	0.6
106.17627	0.3
107.04965	0.4
135.04436	0.4
144.24252	0.3
163.11208	99.2
164.11546	6.8
166.53149	0.3
166.54689	0.3
177.09138	79.6
178.09470	5.4
191.05493	0.5
222.09021	0.5
353.21210	100.0
354.21576	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.2
71.01295	6.9
72.75803	1.4
83.01308	1.5
85.02838	1.9
87.00768	4.5
89.02293	2.7
93.03339	4.8
101.02328	2.0
121.02789	1.6
125.24757	1.6
132.02058	4.0
133.02858	1.6
134.03636	54.4
135.04012	2.2
137.02293	7.5
139.03903	2.8
139.84299	1.9
149.05989	18.1
160.01569	23.7
163.03931	2.9
173.04480	7.1
173.21246	1.6
174.03210	1.7
174.04807	1.7
175.03888	26.0
175.05266	1.8
176.04436	2.6
177.65154	1.5
178.02626	29.5
191.03703	1.8
191.05481	5.9
191.07036	2.2
193.04964	100.0
194.05321	6.3
202.02681	1.9
206.08098	2.1
207.08531	4.0
217.04993	7.7
235.06149	1.8
355.10043	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29136	0.7
50.37840	0.8
50.76869	0.9
58.00484	1.0
59.01250	10.1
71.01263	6.1
71.48759	1.4
72.99179	1.1
73.02836	0.9
85.02809	2.6
87.00745	2.4
89.02315	3.4
93.03345	1.8
95.82030	1.0
101.02314	3.2
113.02330	1.2
113.21982	0.9
121.31766	0.8
124.81561	0.8
132.02074	17.6
133.02492	0.8
134.03651	11.7
135.04379	1.4
136.04793	0.9
149.05977	3.6
149.43349	0.8
154.01082	0.7
160.01587	74.7
161.01956	3.7
161.04404	1.4
163.03934	1.0
171.51097	0.8
173.04483	2.5
174.03029	1.1
174.32515	0.9
175.03935	100.0
176.04253	6.3
177.01880	1.0
179.03441	1.0
191.03413	1.5
191.07022	1.8
193.05002	19.0
194.35732	0.8
202.02713	1.2
206.05835	1.5
207.06540	1.0
211.36125	0.8
217.05017	6.5
219.11014	0.8
221.08163	1.8
235.06210	3.8
265.07251	1.0
295.08209	1.5
355.10413	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	355.1035
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.83245	2.8
52.36651	3.1
59.01245	10.5
66.80418	2.9
71.01263	5.9
71.52095	5.3
72.99191	3.0
73.02802	3.9
75.00731	4.0
83.01253	4.0
85.02806	5.7
87.00765	6.2
101.02312	4.3
113.02280	3.2
115.00275	8.2
134.03624	20.1
149.05952	3.9
160.01598	9.5
162.26762	3.0
163.03960	4.4
174.01631	76.8
174.03058	4.6
175.02353	5.6
175.03923	8.5
176.04700	3.9
178.02625	3.7
179.03593	3.7
179.07181	3.2
181.04950	9.7
193.04878	14.7
217.05023	8.1
221.07996	3.2
237.07687	5.5
265.07193	9.3
295.08276	13.4
353.71133	3.3
355.10361	100.0
356.10568	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	355.1551
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
56.35512	1.0
59.01244	3.5
69.22561	1.8
69.22970	8.5
71.01247	1.6
79.05404	1.3
87.00726	1.2
91.05382	1.3
91.51973	1.1
93.03357	1.1
97.06465	2.9
98.09620	1.1
105.07008	2.0
107.04875	1.9
108.02042	4.1
108.02718	1.1
109.02841	3.2
121.02875	5.6
122.03620	4.2
123.04420	32.9
125.05965	1.1
130.44342	1.3
133.02890	1.6
134.03642	11.2
135.04428	26.7
136.04799	1.2
137.05983	1.6
147.04437	7.4
148.05141	1.1
149.05998	47.3
150.06279	1.5
155.02138	1.1
159.04416	6.4
160.05220	2.8
161.05986	6.6
171.04477	1.2
172.05231	3.0
173.06003	9.4
173.66986	1.2
174.06694	3.6
175.07549	2.2
185.05927	1.6
186.06831	1.3
187.03929	2.6
187.07599	9.9
188.04718	3.2
189.09103	1.9
193.08638	5.6
199.07494	1.2
201.05576	5.4
201.09137	2.1
202.06253	2.0
202.09604	1.1
203.07054	1.6
205.08664	1.7
211.07559	3.2
214.06285	1.3
215.07080	12.5
216.07883	5.6
217.08658	52.8
218.08981	3.5
219.10196	16.4
223.07520	1.0
225.05588	1.4
225.09073	1.3
228.07841	1.1
229.05066	1.4
229.08617	2.6
231.06734	1.6
239.07072	1.3
241.05048	1.1
250.06485	1.0
253.05087	1.2
254.05678	2.6
255.06631	3.6
257.08286	2.5
258.08942	2.6
260.72562	1.1
268.07410	4.2
269.08041	3.3
270.09036	2.5
283.09720	2.9
285.11313	26.3
286.11627	2.3
309.15030	2.2
311.13019	3.1
311.16345	1.4
312.13715	4.1
337.14401	4.3
355.15515	100.0
355.24646	7.0
356.15787	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	355.155
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.81521	0.7
56.95316	0.9
57.01570	0.7
57.03323	0.8
59.01252	15.6
59.59067	0.7
64.64362	0.8
71.01254	1.6
71.54047	1.1
79.05393	1.3
81.03303	0.8
85.02792	1.1
85.22227	0.7
87.00737	1.0
90.59507	0.7
91.05421	1.0
93.03324	1.2
97.06464	1.2
101.02295	0.9
105.06989	4.8
107.04931	1.3
108.02054	4.4
109.02846	4.1
121.02878	6.8
121.06507	0.9
122.03656	4.0
123.03539	1.8
123.04417	37.1
124.04726	0.9
133.02861	0.9
134.03615	14.3
135.04416	35.1
136.04831	1.2
137.03827	0.7
143.77257	0.9
146.03590	1.0
147.04407	7.4
148.05229	1.7
149.05984	50.2
150.06354	1.9
159.04442	3.7
160.05241	1.4
161.05978	8.2
162.06752	0.9
172.05283	2.2
173.06006	2.9
175.07574	1.6
187.03870	1.4
187.07605	3.9
188.04764	1.3
188.08292	1.0
191.06992	1.0
193.07137	1.0
193.08673	6.8
194.08847	0.9
197.06029	1.1
200.08160	0.9
201.05522	1.9
201.09146	2.9
203.07054	1.7
205.08582	2.7
208.89508	0.8
211.07587	2.9
213.05562	1.2
214.06377	2.4
215.07056	5.1
216.07872	1.1
217.08662	17.9
219.10228	20.5
220.10597	1.2
226.09964	0.8
227.07051	1.0
229.04900	1.1
229.08665	2.0
243.10216	1.2
251.07097	1.5
253.05138	1.0
254.05830	2.4
255.06598	3.1
257.08163	2.0
258.09042	3.5
267.10165	0.9
268.07382	3.2
269.08197	3.2
270.08929	3.3
283.09872	2.0
284.10306	0.9
285.11307	27.1
286.11676	2.8
295.22870	1.7
311.12772	1.6
312.13528	1.0
313.14313	1.4
313.23907	3.1
337.14365	2.7
355.00931	1.8
355.15506	100.0
355.24780	11.9
356.15875	14.2
356.25171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1086
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
57.97570	0.8
59.01250	1.5
68.99678	1.1
69.26865	8.5
79.05399	1.1
87.00751	24.7
90.05513	1.0
91.05405	3.5
93.03332	4.2
95.04931	2.2
96.42827	1.0
97.06467	13.7
103.05404	4.8
105.03346	7.5
107.04913	11.0
108.02035	2.1
111.04362	2.3
112.05183	10.2
112.50266	0.9
119.04902	8.5
121.02842	51.7
122.03666	11.9
123.04427	0.9
129.03339	2.3
130.99782	4.6
132.02129	0.9
133.02745	1.1
135.04405	2.2
136.71407	1.0
137.02328	13.0
139.03891	4.6
146.03574	1.4
147.04419	100.0
148.05229	17.4
149.02295	1.6
149.05989	9.8
160.22678	0.8
161.02318	2.1
163.03935	6.6
164.04698	2.1
165.05435	1.4
176.04761	1.6
183.21077	0.9
191.03439	35.5
192.04196	19.9
193.04971	11.7
194.02156	2.1
201.09160	3.7
210.20634	0.9
219.10217	2.3
227.10713	0.9
245.11737	1.6
254.04263	7.2
261.11267	4.5
289.10895	9.9
291.08722	13.9
307.11954	3.6
333.09799	2.1
351.10825	77.4
352.11160	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02835	0.8
59.01242	2.9
60.99157	0.7
65.03856	0.4
67.01755	3.0
69.03326	1.2
69.62892	0.4
70.55426	0.4
70.71169	0.8
70.71537	1.0
71.01257	3.3
72.99187	0.6
73.02811	0.8
75.86403	0.4
81.03326	1.0
82.80038	0.4
83.01276	0.4
83.04913	0.7
85.02827	10.2
87.00751	13.8
87.36112	0.4
93.03338	22.7
95.01254	0.5
96.42186	0.5
99.00780	1.1
99.04408	0.7
101.02358	0.5
102.11160	0.4
106.04127	0.7
107.04910	3.2
108.02039	0.9
109.02839	2.2
111.00729	0.7
111.04386	4.7
112.04639	0.5
113.02334	0.5
121.02837	0.7
123.04467	0.7
125.02309	0.5
127.03870	2.5
129.01816	0.5
133.02815	1.3
134.03633	1.7
135.04413	29.2
136.04752	1.7
137.02307	2.6
137.82980	0.5
147.04408	1.1
149.05983	0.6
155.03412	2.6
161.02365	3.2
168.55214	0.4
171.02898	0.5
173.04475	50.0
174.03412	0.4
174.04816	1.9
179.03416	30.3
180.03728	1.7
191.05539	100.0
192.05879	3.6
203.09721	0.4
206.08162	2.1
207.04962	0.8
215.10091	0.5
332.15363	0.5
353.08722	7.1
353.12540	0.6
354.09076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.71239	1.7
56.16190	1.7
59.01247	6.0
63.73893	1.6
70.86240	4.3
71.01268	3.4
71.04905	1.9
82.50195	1.9
83.04907	1.9
85.01830	1.8
85.02404	1.6
85.02829	11.1
87.00771	5.1
91.05384	2.2
93.03338	8.8
103.83460	1.9
107.04901	5.2
109.02853	11.6
111.04422	4.2
121.02854	2.1
127.03904	2.2
129.04376	2.0
133.02852	2.0
134.03647	6.1
135.04417	68.3
135.05449	3.7
146.08141	3.7
147.08484	4.5
149.19724	2.0
155.03407	2.6
161.02333	3.9
164.44084	1.6
172.05330	2.0
172.67955	1.8
173.04504	19.5
179.03418	68.0
180.03749	2.3
191.05539	100.0
192.05911	3.5
208.09137	1.9
250.35023	1.9
353.08670	16.1
353.15292	15.9
369.61465	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	353.0879
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.48639	1.8
59.01253	9.1
60.05960	1.9
62.73636	1.7
67.01756	3.0
70.71014	4.2
70.71365	2.6
71.01260	9.2
72.34045	1.7
72.99185	2.4
73.02798	2.0
83.01283	1.8
85.02818	8.1
87.00751	48.0
89.02323	2.7
93.03340	36.2
94.03696	1.9
98.19911	2.6
99.00768	2.9
99.05393	2.4
107.04912	7.3
109.02826	5.8
109.85970	2.4
111.00745	2.3
111.04380	5.6
119.04906	3.1
121.02855	3.1
123.04431	2.1
133.02846	3.0
134.03667	4.8
135.04424	56.4
136.04768	2.4
137.02345	6.0
147.04367	5.3
149.05957	4.3
151.03874	2.2
155.03416	4.5
155.79207	1.9
161.02415	3.2
163.03836	3.6
173.04472	100.0
174.03119	1.8
174.04800	6.1
179.01842	3.9
179.03415	71.5
180.03740	3.0
187.07370	2.4
191.03763	2.6
191.05534	52.5
192.05833	3.3
193.05000	5.1
201.09192	2.3
202.19165	2.5
203.07047	2.8
218.02161	2.3
219.02939	2.4
248.27898	1.9
296.42813	2.1
306.39459	2.4
353.08658	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	353.0879
Annotation	Chlorogenate
Peak:m/z	Relative Intensity
52.13092	1.0
59.01249	5.7
61.98708	1.1
66.72161	1.0
67.01743	2.1
69.03350	1.1
69.94814	5.2
71.01253	3.4
72.10162	1.0
72.99191	1.0
83.04910	1.4
85.02825	9.6
87.00753	16.7
88.01096	2.6
89.01193	3.4
93.03337	13.2
99.00780	1.6
106.04065	1.2
107.04890	1.6
108.02039	1.4
109.02845	1.9
111.04375	2.3
113.20341	1.0
127.03868	2.6
130.99773	2.8
132.00105	1.3
133.00217	2.2
133.02849	1.4
135.04422	5.5
149.05968	2.4
155.03470	1.5
161.02374	2.1
173.04456	15.1
174.04762	1.4
175.03964	1.1
179.03413	7.9
191.05550	100.0
192.05899	4.1
231.09297	1.0
249.07550	1.3
256.04724	2.2
306.30542	1.0
322.73221	1.3
353.08612	3.9
353.12042	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	1.7
69.45069	5.8
78.67867	0.9
79.05389	1.4
87.00755	20.1
91.05412	5.2
93.03328	2.9
95.04899	1.5
97.06467	10.2
102.74792	0.9
103.05401	2.7
105.03350	6.5
107.04904	6.5
108.02060	1.6
111.04389	1.2
112.05193	6.7
119.04910	6.0
121.02846	45.6
121.12759	0.9
122.03670	9.4
123.04404	1.3
129.03331	1.9
130.99792	4.9
135.04411	1.3
137.02359	10.6
139.03902	2.4
145.02800	1.2
146.03577	1.4
147.04420	100.0
148.05251	15.9
149.06004	11.6
161.02353	2.5
163.03912	6.8
164.04628	1.1
176.04680	1.1
176.63005	1.1
191.01712	2.0
191.03445	39.5
192.04237	17.1
193.01329	1.1
193.04948	10.5
201.09192	1.0
219.10281	1.8
224.10272	0.9
245.11734	1.8
248.18759	0.9
254.04288	10.6
261.11188	4.6
289.10773	11.8
291.08685	12.3
307.11960	5.7
333.09756	2.2
351.10834	90.1
352.11182	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	351.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13789	0.9
59.71463	0.9
61.23492	1.2
69.95243	3.9
75.24178	1.0
81.20135	0.9
84.72315	0.9
87.00754	100.0
88.01081	1.8
121.02854	3.2
122.03646	5.0
130.99762	47.8
135.04446	2.6
137.02354	2.4
147.04422	8.8
148.05170	1.9
171.02075	1.1
185.09877	1.1
191.03433	2.3
192.04268	1.6
201.09097	2.0
227.21051	1.0
254.04311	27.9
255.04601	1.8
351.10873	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	351.1085
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
53.35110	1.0
53.35387	1.0
56.70740	1.0
60.45134	1.0
68.99667	1.8
70.30141	2.4
79.05405	2.2
85.29455	1.1
87.00762	22.6
91.05430	5.2
91.15206	1.0
93.03345	4.3
95.04906	3.9
97.06483	13.2
103.05409	3.2
105.03341	6.7
107.04903	9.9
108.02044	2.5
111.04407	1.6
112.05212	5.9
119.04961	7.5
121.02843	54.5
122.03670	12.9
129.03363	2.3
130.99751	5.6
133.82327	1.0
135.04379	3.0
137.02373	7.5
139.03909	2.9
146.03572	2.1
147.04427	95.5
148.05257	20.5
149.02422	1.1
149.06000	14.1
161.02365	2.0
162.03053	1.2
163.03934	6.1
164.04774	1.3
176.04710	2.2
191.03433	34.2
191.10704	4.0
192.04202	16.0
193.04990	11.1
194.02100	1.7
194.05534	1.4
201.09151	4.7
219.10231	4.3
245.11884	2.5
254.04324	8.3
259.08075	1.0
261.11285	6.5
289.10825	11.8
291.08734	14.5
307.11948	4.2
333.09790	1.5
351.10837	100.0
352.11160	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	351.1085
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
56.29277	1.1
59.01245	1.2
66.91035	1.5
69.03313	3.3
69.86244	5.3
85.02863	1.6
87.00751	54.0
91.05369	1.4
93.03333	2.1
95.04892	1.7
97.06461	12.7
98.19833	1.8
98.21672	1.1
100.12177	1.1
103.05421	1.5
105.03347	1.5
107.04861	1.4
119.04821	1.5
121.02853	10.7
122.03600	2.6
123.04414	4.5
130.99777	10.1
133.01407	1.6
137.02332	2.8
146.03633	11.6
147.03308	1.8
147.04425	31.9
148.05229	7.4
149.05968	6.6
159.04433	2.4
161.05957	2.4
162.06787	2.7
163.03912	1.7
163.07513	6.0
172.05186	5.7
173.06027	5.6
173.09625	1.8
174.03123	5.2
174.06804	2.7
175.03871	4.9
175.07573	28.2
176.04678	2.7
176.07959	2.5
179.94281	1.2
186.06773	6.8
187.07610	8.6
188.04716	3.9
188.08324	3.7
189.05489	3.5
189.09094	3.6
190.06265	8.3
191.03421	10.8
191.06750	2.1
191.10690	4.0
192.04187	4.1
193.04951	4.6
197.06035	2.1
200.04755	15.5
201.05307	2.8
201.09143	17.8
203.07060	8.8
203.61238	1.3
204.07841	6.4
215.07141	2.6
216.07841	2.8
217.08719	9.5
217.12296	2.5
219.10225	24.8
220.10669	1.5
225.09282	1.4
227.07211	1.4
227.10703	11.8
228.07791	3.8
229.08655	44.3
230.09082	4.1
243.10223	2.7
245.08281	7.1
245.11716	7.2
247.09795	5.2
254.04237	5.1
261.11398	5.9
271.09818	5.0
273.07687	32.5
274.08084	2.8
289.10809	21.5
290.11096	1.6
291.08783	3.9
307.11856	3.2
315.08740	1.6
333.09790	9.4
351.10828	100.0
351.65308	1.7
352.11078	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91189	1.4
68.99677	1.4
69.51667	7.1
69.52091	2.9
78.01466	1.2
79.05394	2.1
87.00752	70.7
88.01057	1.2
91.05393	4.9
93.03326	4.9
95.04903	1.4
97.06464	5.4
103.05413	3.8
105.03329	8.7
107.04906	18.3
108.02085	2.5
112.05174	13.0
119.04122	1.2
119.04874	7.2
121.02843	59.8
122.03659	13.4
129.03372	2.0
130.99750	29.7
134.03636	3.9
135.04422	4.0
136.01506	1.8
137.02365	12.8
139.03922	5.3
147.04425	100.0
148.05234	20.2
149.02374	1.9
149.05968	9.7
154.02635	3.3
159.41023	1.3
161.02344	4.0
163.03914	12.2
164.04675	4.0
172.44112	1.5
176.04619	1.6
191.03426	31.2
191.10753	8.6
192.04204	17.1
193.04967	10.8
194.02133	3.7
201.09087	4.2
219.10220	3.9
254.04297	25.8
255.04674	3.3
261.11298	2.9
289.10635	6.2
291.08774	12.5
292.09085	1.4
307.11987	2.6
351.10837	79.0
352.11227	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12365	0.9
59.06783	0.9
66.08198	0.9
66.61472	0.9
66.70718	0.8
68.99689	1.7
69.23052	0.9
70.50871	2.9
79.05403	1.5
80.77621	1.0
87.00746	22.9
91.05400	5.1
93.03339	5.1
95.04895	3.9
97.06472	15.8
98.06788	1.1
98.20512	1.2
103.05419	3.5
103.89899	0.9
105.03346	7.2
107.04912	9.9
108.02043	1.9
111.04382	1.9
112.05173	7.7
117.03389	0.8
119.04917	7.9
121.02847	64.3
122.03666	12.3
123.04408	2.0
129.03362	1.6
130.99731	5.1
133.02806	1.0
135.04350	2.4
137.02350	11.7
139.03894	4.1
146.03670	2.4
147.04422	100.0
148.05223	18.1
149.02301	1.4
149.05992	11.0
161.02338	2.7
163.03908	7.6
164.04686	2.8
176.04709	1.5
177.25464	0.9
191.03436	33.3
192.04172	14.9
193.04970	9.3
194.02155	1.7
199.71530	0.9
201.09181	3.4
219.10194	1.3
245.11839	1.8
254.04306	9.6
261.11288	4.5
289.10828	10.1
290.11395	0.9
291.08752	13.0
292.09116	1.8
307.11792	3.8
333.09708	1.8
351.10825	76.3
352.11194	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	2.3
69.03322	4.0
69.41787	4.3
69.42196	12.0
79.61172	1.9
87.00750	70.3
87.28595	2.3
97.06467	11.4
101.02317	3.0
118.93867	2.5
121.02850	6.6
122.03619	2.6
123.04413	5.8
130.98907	2.1
130.99739	11.9
135.08102	2.1
140.64966	1.9
146.03633	14.1
147.04391	7.4
149.05974	4.2
150.77348	2.0
159.04419	4.1
161.05946	3.4
162.06813	5.6
163.07547	9.9
172.05162	12.2
173.05988	6.0
174.03137	6.3
174.06773	2.9
175.03923	5.9
175.07558	41.1
176.04724	3.5
176.07951	2.3
186.06804	11.2
187.07603	15.1
188.04701	6.7
188.08279	4.9
189.05521	6.8
189.09172	6.9
190.06282	12.3
191.10701	9.1
197.06123	2.7
199.07584	2.8
200.04709	22.1
201.05475	5.2
201.09177	29.4
202.09355	3.0
203.07123	14.6
204.07826	13.8
205.71684	2.1
214.06415	2.3
215.07091	7.5
216.07846	4.1
217.08623	17.1
217.12309	4.0
219.10228	29.8
225.91763	2.0
227.10710	15.2
228.07835	3.8
229.08665	58.2
230.08983	6.5
232.07248	2.2
243.10283	4.6
245.08171	8.3
245.11816	16.2
247.09711	8.4
254.04434	5.2
261.11273	7.3
271.09671	10.8
273.07663	44.7
274.07974	3.1
289.10815	22.5
290.11105	2.9
291.08826	2.6
333.09906	14.6
351.10846	100.0
352.11362	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	349.202
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
52.02931	0.4
57.03323	1.5
59.01246	1.5
69.03331	0.9
69.41183	2.8
69.45997	0.3
71.01217	0.7
71.61464	0.3
82.81602	0.4
83.04895	0.7
87.00745	3.6
96.95860	0.6
117.03349	0.5
119.04874	0.4
145.02863	1.4
163.03864	0.4
193.66441	0.4
203.06984	0.5
219.10236	0.5
233.19031	0.6
259.20691	1.2
261.22241	24.6
262.22528	2.1
287.20209	0.6
305.17676	0.5
305.21194	10.2
349.20206	100.0
350.20551	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	350.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51006	0.4
55.96572	0.4
59.01248	3.6
64.02633	0.4
69.83385	1.1
69.83790	2.0
71.01253	11.4
71.04894	7.3
73.02818	1.3
81.30530	0.4
88.03910	3.8
89.02329	1.7
91.14951	0.5
93.37506	0.5
98.20460	0.7
99.00768	1.0
99.04407	2.5
111.72295	0.5
116.07057	1.6
128.06999	0.5
146.08133	30.5
147.08447	1.0
218.10161	0.5
233.10161	0.5
259.94083	0.5
278.12442	4.6
350.14548	100.0
351.11035	0.7
351.14893	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	350.1455
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
58.00463	0.2
59.00961	0.3
59.01251	4.9
60.80454	0.1
70.02092	0.2
70.43266	0.3
70.43654	0.4
71.01253	21.7
71.04888	8.2
72.00787	0.5
72.01575	0.4
72.04424	0.3
72.05232	0.2
72.99182	0.4
73.02819	1.7
78.29246	0.1
80.18824	0.1
85.02827	0.2
87.00742	0.3
88.03913	6.1
89.02309	3.3
89.02829	0.2
89.04226	0.2
98.20541	0.2
99.00758	3.0
99.04398	2.4
101.02322	0.7
101.05965	0.4
112.03880	0.2
113.02303	0.3
116.03451	1.0
116.07044	1.6
117.56867	0.2
126.09174	0.2
128.07047	0.8
129.05484	1.1
131.03458	0.7
146.08128	78.2
147.08478	2.3
174.11252	0.9
188.09232	0.2
200.09245	0.4
201.09164	0.2
218.10309	1.4
219.10332	0.2
233.10255	2.7
235.07602	0.2
278.12433	8.5
279.12805	0.4
289.10626	0.2
332.13486	0.3
350.14551	100.0
351.07581	0.3
351.14905	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	350.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55114	0.2
59.01255	3.0
59.45572	0.2
59.89076	0.2
64.89462	0.2
67.55282	0.2
69.75227	0.2
69.83270	1.1
71.01254	22.7
71.04888	4.0
72.01566	0.5
72.99188	0.2
73.02825	1.1
81.77889	0.2
88.03914	5.5
89.01763	0.3
89.02314	4.5
98.20512	0.3
99.00757	3.0
99.04403	1.2
101.02328	0.7
101.05947	0.3
113.02346	0.4
113.20777	0.2
116.03424	0.9
116.07066	0.9
128.07069	0.9
129.05510	0.9
131.03410	0.5
144.40047	0.2
146.08133	100.0
147.08485	3.8
174.11267	1.1
188.09282	0.2
200.09210	0.6
218.10338	1.6
233.10292	3.4
259.10620	0.2
278.12451	9.1
279.12628	0.5
350.14560	65.5
351.14914	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.9
59.01244	14.5
71.01258	7.3
71.52256	2.5
71.52653	2.9
71.86670	3.0
73.02826	3.3
75.38258	1.9
77.62482	2.2
83.37364	2.3
85.02830	9.4
87.00757	5.6
88.40865	2.4
93.03366	7.0
95.04894	5.0
101.02318	6.7
105.03354	19.7
109.02836	3.3
111.04358	3.0
119.04926	4.2
123.04408	5.7
133.02847	100.0
134.03198	3.6
135.04390	9.0
135.59070	2.2
137.02350	6.6
139.18040	2.3
143.32974	2.5
146.03717	3.2
147.04416	19.5
148.05190	3.7
149.05949	6.2
155.03490	2.4
159.04410	5.9
161.02324	5.6
161.06044	4.3
163.03958	10.7
163.07552	5.4
172.05212	42.1
173.04427	10.1
173.05925	14.9
173.07306	2.4
175.03938	9.7
175.07542	4.1
176.04681	9.8
177.01852	37.0
177.05457	2.8
178.06247	10.7
185.06032	2.5
186.06839	11.6
187.03975	3.4
187.07541	11.8
188.04553	2.5
189.05472	7.7
189.09106	4.1
190.06268	23.8
191.10724	9.5
197.06123	3.5
199.07605	3.2
201.05511	8.1
201.09152	94.9
202.09457	6.9
204.07883	9.5
215.07089	9.6
216.07869	7.5
218.05835	2.9
219.10223	40.3
220.10548	4.4
227.07088	2.5
227.10698	25.2
235.09702	5.0
245.08147	2.5
245.11856	16.7
246.11894	2.7
263.09259	22.5
263.11993	3.2
263.12915	2.9
271.09863	5.4
289.07669	3.8
289.10748	30.3
290.11115	2.7
300.31543	2.6
307.08340	3.5
307.12024	2.9
333.09821	3.6
351.07138	3.6
351.10840	25.4
351.16455	4.1
352.11133	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	349.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.5
59.01244	2.7
60.86882	1.7
70.29544	7.3
85.02835	4.4
87.00754	100.0
95.98039	1.6
97.06469	4.3
98.20437	2.2
109.02816	2.1
111.00774	4.5
112.98719	3.8
115.70895	1.8
119.45652	1.8
121.02838	3.7
122.03587	2.1
125.23451	1.9
130.99757	5.6
135.04483	2.7
146.03625	12.9
147.04475	3.9
148.05272	1.9
149.05957	3.5
158.03639	3.3
159.04472	12.7
161.02374	3.4
161.05984	7.1
163.03928	6.1
163.27753	2.1
164.04713	6.5
171.08069	1.9
172.05237	5.5
173.02240	2.2
173.05957	20.7
174.03149	32.0
174.06808	12.7
175.03709	4.5
175.07532	18.3
185.06042	6.5
186.06796	7.7
187.03923	16.2
187.07594	8.7
188.04709	45.6
189.05490	18.5
189.09163	4.8
191.10712	2.7
196.05257	4.0
199.07579	11.8
200.08333	3.8
201.05537	21.2
201.09146	3.1
202.06310	24.1
203.07072	43.3
204.07773	9.6
205.08644	2.4
208.77376	2.2
212.04866	2.4
214.06320	14.8
215.06920	2.5
215.10789	7.4
217.08653	95.4
218.08937	9.3
219.10172	5.4
225.09186	7.7
226.06149	2.3
227.07060	5.7
230.05939	2.4
231.06606	2.1
232.07214	3.0
241.08672	3.3
243.06496	2.3
243.10258	37.6
244.10643	3.2
245.08173	7.7
259.09698	16.8
261.11255	22.1
269.08124	6.3
271.06268	4.5
287.09274	12.5
305.10281	3.6
313.07199	5.3
313.32654	1.9
331.04883	2.0
331.08130	11.2
332.08499	2.2
335.99292	2.2
349.09277	49.4
350.09467	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.0
59.01237	1.2
65.00182	0.4
67.15192	0.3
69.03337	1.3
69.40195	2.3
71.01246	1.3
83.04882	0.8
87.00745	4.7
97.06442	0.4
110.22710	0.4
117.03357	0.4
130.99771	0.4
145.02838	1.6
145.99818	0.3
147.04430	0.5
157.94919	0.4
163.03995	0.5
174.56465	0.3
175.03830	0.5
217.08557	0.7
219.17487	0.4
233.08092	0.4
243.17525	0.6
259.20798	1.8
261.11185	0.4
261.22217	25.6
262.22540	2.9
287.20139	0.8
297.85657	0.4
305.17639	0.6
305.21216	10.8
306.21536	1.4
331.19089	0.5
349.20190	100.0
350.20514	12.8
350.24835	0.6
361.10037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
64.36787	0.9
69.03323	4.3
69.25921	2.5
69.26347	5.6
87.00752	100.0
88.01080	1.9
97.52168	0.9
99.00742	1.4
108.02099	0.8
113.02330	1.0
119.04823	1.0
130.99741	4.1
135.04449	1.4
146.03624	3.4
147.04427	3.9
148.05194	3.6
149.05998	16.7
158.03569	0.9
159.04414	9.1
161.05994	3.6
163.03900	2.8
163.93788	1.0
164.04620	1.8
171.04453	1.1
171.08049	1.0
172.05209	3.3
172.35454	0.9
173.06006	14.2
173.85829	1.1
174.03156	3.4
174.06607	2.6
175.03867	3.0
175.07582	2.4
185.00848	1.0
185.05998	3.4
186.06868	4.5
187.03970	6.4
187.07617	6.5
188.04733	35.8
189.05440	6.8
189.09164	4.1
191.10741	4.3
193.05013	2.7
196.05182	1.3
197.06046	1.6
198.06596	1.0
199.07600	10.2
200.08124	1.1
201.05522	7.1
201.09084	1.5
202.06285	7.8
203.07051	5.1
205.08640	1.8
209.06082	1.4
210.06703	1.2
212.04732	2.7
213.05486	1.2
214.06325	5.4
215.06914	2.6
215.10666	3.3
216.07828	1.5
217.08650	36.4
218.09004	2.4
225.09140	4.1
227.07092	7.9
228.07732	1.2
230.05717	1.6
231.06599	1.6
232.07420	1.5
233.08186	1.4
237.03793	0.8
241.08585	1.0
243.06548	1.9
243.10226	15.3
244.10580	1.2
245.08144	11.7
249.07648	1.5
259.09671	3.7
261.11313	3.6
271.06091	5.9
276.42496	0.9
287.09399	4.7
305.10303	1.9
331.08273	2.3
349.09283	30.0
349.13739	1.4
350.09488	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	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56613	4.0
69.03324	7.5
70.28929	15.2
71.01250	13.1
78.55749	4.4
85.02850	9.2
87.00757	91.0
97.06467	6.3
99.00729	6.3
109.02857	9.4
111.09476	4.6
117.03413	6.7
121.02876	5.2
130.99770	7.1
133.02814	6.1
135.04431	6.0
145.02829	30.8
146.03654	10.3
147.04341	13.5
147.08119	5.3
148.05220	8.0
149.05992	27.5
159.04425	21.2
159.08086	4.6
160.05237	5.4
161.05952	4.5
162.03142	8.7
163.03925	19.5
164.04680	16.6
171.08040	9.5
172.05177	8.7
173.05997	31.0
173.09659	10.1
174.03200	5.3
174.06682	5.6
175.03983	9.5
175.07596	10.3
177.05457	6.8
184.05238	5.3
185.05994	14.9
186.06787	14.8
187.03883	9.9
187.07608	40.0
188.04715	47.5
188.08318	13.5
189.05513	26.5
189.09148	19.2
190.02684	6.0
190.48198	4.3
193.05014	14.3
196.05145	4.7
198.06631	4.7
199.03964	8.0
199.07562	61.0
199.11232	10.6
200.08336	10.7
201.05479	5.5
201.09148	20.4
202.06310	19.0
203.07066	19.4
204.07811	5.6
205.08778	9.4
208.03781	6.4
213.05519	13.5
214.06281	34.0
215.07060	8.3
215.10690	19.5
217.05298	8.8
217.08659	100.0
217.12109	30.4
218.08908	11.2
219.06609	8.5
223.07622	6.3
225.09166	20.6
227.07060	9.7
228.07848	10.0
231.06586	13.2
232.07426	28.0
233.08127	6.2
241.08664	4.8
243.06624	9.4
243.10231	98.5
244.10526	5.8
245.08134	14.2
259.09750	13.4
261.11340	60.3
271.06161	5.3
277.10855	7.3
287.09161	64.1
305.10306	25.9
331.08423	7.1
349.09241	77.7
350.09625	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	349.0929
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
54.19447	1.4
55.01758	2.7
57.03339	2.0
59.01253	2.2
60.91457	1.6
62.67660	1.5
68.84055	1.5
70.07355	1.7
70.17786	4.1
71.04894	46.0
82.43133	1.5
87.00729	10.7
89.02348	2.2
98.20586	1.5
99.04400	30.1
101.02345	1.7
105.06969	2.4
107.04888	2.2
108.02038	2.2
109.02863	2.4
119.04932	2.2
121.06497	2.4
122.03613	8.0
123.04416	4.4
133.06485	8.6
135.04391	11.6
136.05186	3.7
137.02319	2.5
143.04907	4.9
145.02888	4.6
146.03641	18.6
147.04437	11.4
148.05194	6.6
149.05984	66.2
150.06265	2.3
159.04427	4.6
160.05144	3.2
161.04605	2.3
161.05992	49.0
162.06769	17.1
163.03897	2.9
164.04684	3.7
172.05153	3.4
173.05989	3.9
174.03160	2.0
175.03955	3.0
175.07513	2.8
179.03340	2.9
181.12834	1.5
185.06001	8.0
186.06715	4.3
187.03969	3.4
187.07544	3.1
188.04681	6.1
189.05492	33.5
189.09105	4.3
190.06256	10.9
193.04953	17.6
197.09662	2.1
199.07561	8.3
201.05495	4.9
201.09036	2.8
202.06290	9.4
203.06999	8.3
205.04993	12.3
213.05486	3.1
213.09186	1.6
214.06271	3.2
215.10738	27.7
216.11021	2.1
217.08667	10.0
225.09190	4.4
228.07886	3.0
231.10342	2.7
233.04514	6.5
233.11806	17.7
234.05257	6.4
241.08707	3.7
243.10219	67.3
244.10631	6.2
245.07964	1.6
259.09738	9.7
261.11313	46.0
262.11652	3.4
277.10733	22.1
278.10941	2.8
287.09238	98.9
288.09579	6.7
305.10291	100.0
306.10638	9.3
331.08353	10.4
348.19672	1.8
349.09274	63.1
350.09656	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	349.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
70.30157	3.1
73.70136	0.8
74.56979	0.8
77.95139	0.8
87.00757	100.0
87.04380	1.6
88.01083	2.1
97.06468	2.8
105.11376	0.8
117.03343	6.1
119.43813	0.8
121.02820	3.4
122.03632	1.8
123.04399	0.9
125.45724	1.0
130.99762	2.4
135.04399	3.9
139.55855	1.0
145.02866	27.1
145.59944	1.0
146.03668	7.1
147.04433	6.5
148.05205	2.5
149.02356	1.0
149.05989	10.2
159.04422	10.7
161.02367	2.6
161.05875	1.1
162.03163	7.9
163.03879	3.9
164.04692	2.7
171.04419	1.0
172.05225	1.0
173.05998	3.4
174.03108	2.0
174.06578	1.1
175.03937	2.4
175.07454	1.3
187.03970	4.9
188.04694	4.9
189.01840	2.7
189.05406	1.6
189.09186	6.1
190.09637	1.0
191.10658	1.0
193.05054	2.3
199.07663	2.2
201.09248	1.2
203.07063	1.3
204.07782	1.2
214.06323	1.0
215.10812	1.0
217.08650	9.7
217.12184	1.8
218.09196	1.1
233.11818	1.9
243.10243	8.8
259.09793	1.4
261.11301	3.2
340.49426	0.9
349.09311	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.8
59.01238	4.3
61.07531	1.0
65.03826	1.3
67.01755	1.5
69.36738	1.0
71.01250	2.9
71.04893	17.0
71.15469	2.3
83.04868	1.5
85.02834	1.2
87.00748	3.0
93.03314	2.0
95.04889	2.7
97.06480	2.2
99.04375	2.7
101.02332	1.7
108.02037	2.2
109.02856	8.0
113.05907	1.6
115.05409	3.6
119.04900	5.5
121.02825	4.0
121.06444	2.5
122.03624	1.5
123.04408	1.3
129.03323	1.5
130.04135	2.2
131.04897	3.2
133.06432	1.9
135.04399	4.8
137.02284	1.0
139.07527	4.1
143.04936	16.9
145.02829	5.0
146.03636	19.7
147.04424	42.4
148.05090	4.3
149.02307	1.5
149.05988	63.8
150.06297	3.7
153.03317	1.7
157.06454	4.6
159.03177	2.0
159.04428	25.9
159.08038	1.1
160.01573	1.8
160.05209	3.1
161.02338	7.2
161.04579	2.1
161.05984	41.0
162.03159	5.2
162.06421	2.6
163.03911	32.4
163.07463	1.8
164.04489	2.6
170.03604	2.2
170.91504	1.1
171.04430	61.9
172.05199	27.7
173.05981	9.2
173.09671	4.1
174.01729	1.7
174.03148	24.4
174.06444	1.3
175.03940	15.0
175.07547	10.7
176.04602	2.7
177.05424	3.3
184.05220	1.9
185.06004	39.0
186.06770	10.3
187.03958	22.0
187.07565	18.6
188.04709	54.5
189.05496	100.0
189.09068	3.5
190.06192	12.8
191.03467	2.0
191.07050	7.6
193.04994	20.4
193.06560	0.9
194.05347	1.4
196.05226	14.3
197.05670	1.4
197.09639	2.2
199.03825	1.7
199.07574	5.4
200.04584	2.6
201.05482	18.4
202.06299	12.1
203.07080	40.2
204.04315	1.3
204.07434	3.5
205.04945	3.1
205.08650	4.8
207.08093	2.0
209.06021	10.8
210.06827	7.3
212.04836	1.5
213.05528	4.2
214.06282	7.0
215.07050	2.3
215.10701	5.5
216.04266	2.3
217.08655	7.6
218.05783	1.3
220.07359	11.3
221.07983	1.7
223.07657	1.9
224.08257	1.9
225.09164	57.4
226.09439	3.8
227.07056	2.3
228.07921	2.3
229.05025	3.9
231.02864	1.4
231.06596	4.3
232.07214	1.2
233.04504	4.4
234.05235	2.0
241.08647	3.0
243.10222	75.1
244.10553	6.9
247.06111	4.3
261.11288	35.2
261.14072	1.9
262.11588	1.4
269.08102	1.6
273.04117	3.1
287.09283	11.4
305.10233	10.2
306.10489	1.5
331.08282	2.0
349.09253	45.9
350.09726	3.1
350.14594	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	347.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	47.9
64.78621	2.0
71.01256	39.6
71.85856	2.2
72.99183	3.7
73.02827	10.9
80.81751	2.3
83.27541	2.6
85.02814	4.6
89.02319	84.6
93.79906	2.1
99.00784	19.8
101.02319	42.9
109.59656	2.2
113.02321	6.9
123.76042	2.6
125.02317	4.2
131.03381	19.2
143.03421	4.0
149.04466	100.0
161.04462	6.5
165.31903	2.3
173.04500	4.1
186.06769	2.4
191.05565	20.2
221.06624	10.8
227.10834	3.3
251.07635	12.7
282.54202	2.3
285.51685	2.3
293.08783	4.3
311.09833	14.4
347.07449	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
64.69997	0.7
67.05571	0.6
69.39532	3.1
69.39956	2.0
72.44174	0.6
93.03333	1.1
93.39612	0.6
94.02853	1.1
95.03625	2.4
96.04411	0.9
96.08052	0.7
97.01557	0.8
104.04928	1.3
106.06528	5.3
108.02227	0.6
108.04499	0.8
112.03900	1.0
122.05989	2.0
123.03157	0.8
123.04400	0.6
124.07578	7.5
132.04451	37.9
133.05240	20.8
134.06032	6.3
148.03955	1.4
149.02303	0.7
150.05495	1.2
155.14865	0.7
165.04231	23.9
166.04576	1.3
173.30896	0.6
176.03427	1.7
176.07062	0.9
177.04214	4.0
178.04944	2.3
184.07568	0.9
186.09180	2.5
191.05569	2.5
198.09126	1.0
209.03229	5.7
213.06653	3.7
213.12445	0.6
214.12306	7.4
215.11824	6.8
226.07463	0.7
228.09021	0.6
229.09837	3.6
240.10245	1.4
241.09793	3.3
255.11383	1.7
257.08420	1.4
257.12936	25.2
258.13275	1.8
283.10843	8.7
284.11157	0.8
301.11914	20.3
302.12234	1.9
327.09845	1.3
345.10907	100.0
346.11234	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	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56864	0.8
59.01258	6.8
64.10276	0.8
69.20358	8.8
71.01252	2.6
82.02903	1.0
84.04425	1.0
89.02328	3.6
94.06520	1.0
95.03648	4.0
96.08080	1.2
101.02328	2.0
104.04941	3.1
106.06519	5.8
109.01596	0.9
112.03960	1.4
119.03434	1.1
122.06020	3.7
123.03152	0.9
124.07571	8.9
132.04448	57.6
133.05238	30.3
134.06033	10.1
138.05501	1.4
146.02403	0.9
148.03935	3.1
150.05540	2.6
163.54338	0.8
165.04225	47.1
166.04567	2.3
168.06615	1.0
168.40221	0.9
172.07608	1.8
173.04492	2.0
176.03503	2.3
176.07100	1.5
177.04207	5.3
178.05006	2.9
184.07649	1.6
186.09215	4.9
187.08679	1.7
191.05531	1.4
198.09158	2.0
209.03239	10.9
212.10986	0.8
213.06627	4.8
214.12318	9.4
215.11804	10.4
217.01482	1.3
226.07599	1.5
227.03145	0.9
227.08180	2.3
228.09094	1.3
229.09839	6.1
240.10396	1.7
241.09821	5.6
255.11371	1.7
257.08481	2.4
257.12930	47.1
258.13333	3.9
265.09921	1.3
266.45999	1.0
283.10880	13.8
284.11169	1.2
300.01788	1.3
301.06937	2.0
301.11951	34.7
301.15405	1.7
302.12296	3.4
315.04272	4.4
327.09753	3.0
330.06564	4.1
345.10968	100.0
346.11301	10.1
346.15305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0772
Annotation	RES 1214-1
Peak:m/z	Relative Intensity
50.55735	0.8
52.74878	0.9
69.33514	2.8
69.33923	4.7
79.30262	0.9
98.20541	1.9
104.25748	0.9
109.06483	2.1
133.06444	1.6
143.04913	2.2
145.02856	5.3
146.02554	1.4
146.03644	14.1
147.04414	3.6
148.05215	1.8
159.04408	3.0
160.05208	6.5
161.05949	3.2
171.04465	1.2
171.08041	2.1
171.11853	1.0
172.05177	1.7
173.05983	3.7
174.03143	1.6
174.06805	9.5
175.07487	3.3
176.08406	4.6
181.06523	1.0
183.04478	1.9
185.05966	2.9
186.06766	6.3
187.07524	3.3
187.11232	2.1
189.09146	6.5
189.48866	0.8
192.04303	1.1
197.09639	10.7
199.07552	4.9
200.08273	2.6
203.20111	1.0
213.09134	3.4
215.10721	100.0
216.11064	8.7
217.05040	1.4
218.05836	1.2
219.06590	1.2
227.10764	2.4
259.09741	87.9
260.10132	6.3
271.76993	1.0
275.09268	1.1
285.07486	1.1
297.22940	0.9
303.08734	87.7
304.09082	8.2
347.07648	22.0
348.08194	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	347.2228
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
57.03319	1.2
59.01252	11.3
62.75245	0.3
69.03367	0.4
71.01260	1.0
72.02045	2.7
77.82166	0.3
83.04911	0.7
148.13080	0.3
191.03436	0.4
212.07552	0.3
219.17570	0.5
243.17545	0.3
245.18913	0.3
259.20599	1.9
261.22229	45.3
262.22562	4.4
267.81927	0.3
285.22284	1.6
287.20197	0.9
303.23294	14.5
304.23712	1.4
305.21222	41.1
306.21579	4.5
347.22250	100.0
348.22589	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	345.0617
Annotation	Dumosol
Peak:m/z	Relative Intensity
52.12518	0.5
52.19583	0.5
59.01240	2.0
63.52655	0.5
65.03821	0.6
71.01247	0.9
71.52791	0.7
72.99194	3.1
75.69694	0.5
77.03848	0.9
81.03336	1.5
84.09819	0.5
85.02805	0.5
89.03852	2.6
89.76511	0.4
93.03339	5.6
95.01289	1.1
95.04900	0.6
105.03352	5.5
107.01265	1.2
109.02811	1.1
114.15617	0.5
121.02840	5.1
122.03650	1.2
123.00747	0.7
123.04414	5.3
125.02348	0.5
133.02876	3.9
135.04422	2.4
137.02348	0.8
139.03905	4.2
145.02916	0.5
147.11247	0.6
148.01550	2.9
149.02351	12.6
150.03053	1.4
151.00307	1.8
151.03923	3.5
154.04092	0.6
156.02020	0.5
161.02359	1.7
162.03120	5.1
163.03975	3.3
165.01881	0.6
165.05463	0.6
169.02866	0.7
170.03670	0.8
173.04492	1.0
174.03067	1.0
176.01093	1.0
177.01849	100.0
178.02180	5.8
179.03412	0.7
182.03635	0.6
185.02374	0.8
186.03145	1.2
189.01871	1.2
190.02664	6.3
191.03426	5.3
191.05280	0.9
198.03148	3.8
199.03929	0.6
200.01134	0.8
201.01886	1.5
202.02667	1.1
203.03430	0.6
209.02724	0.5
209.04456	2.9
210.03087	2.5
210.87070	0.5
213.01872	0.6
213.05565	1.1
214.02705	3.0
225.01888	0.8
225.05606	1.7
226.02690	7.5
227.03265	1.0
229.01324	2.3
230.02208	1.0
242.02179	4.3
243.03011	0.5
245.04573	0.8
253.01479	0.8
254.02151	3.6
256.07407	0.9
257.08206	0.6
267.10632	0.6
269.00885	0.9
269.04626	1.7
270.01678	7.1
271.02271	1.4
272.03070	0.6
283.10965	1.6
285.04050	4.1
287.01785	0.6
297.00552	0.7
298.01099	4.8
299.09198	0.7
312.06372	0.6
313.03543	29.6
314.03998	2.7
327.01123	0.8
327.08640	3.6
329.29013	0.5
345.06134	50.7
345.09909	7.5
346.06500	3.8
346.10254	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	343.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76040	5.5
59.01240	15.0
69.77732	8.7
69.78133	20.4
71.01254	5.7
82.02853	69.9
105.03305	6.4
122.06017	58.0
126.05462	12.7
156.10216	11.5
198.07649	50.6
216.08749	53.9
270.01764	9.9
274.57715	5.2
285.04123	9.7
299.16125	40.1
300.16443	8.4
313.03470	34.8
325.14197	7.9
329.05823	6.1
343.08359	55.5
343.15067	100.0
344.08432	6.7
344.15247	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	344.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47292	0.3
52.59516	0.3
59.96040	0.3
69.53427	0.8
69.53733	0.8
69.81110	0.4
69.81575	1.4
73.92067	0.3
84.03539	0.4
98.19877	0.6
171.03935	0.6
175.03479	0.7
186.03069	0.5
187.03564	0.5
194.19572	0.3
198.03078	1.2
199.03487	1.9
201.01680	0.8
202.02402	1.0
203.02892	0.6
210.03046	0.8
211.03580	2.2
212.04268	0.6
214.02425	1.4
214.05899	0.7
215.03015	2.0
226.02647	3.1
226.05890	1.3
227.03008	5.9
228.03720	1.2
229.01205	0.8
230.01781	1.5
231.02440	0.5
240.03802	0.8
241.04718	0.3
242.02142	3.6
242.05037	0.8
243.02515	9.0
253.01353	0.4
254.01889	2.0
255.02567	3.4
256.03119	0.9
257.04370	0.4
262.59244	0.4
268.03375	0.7
269.04172	0.5
270.01602	4.7
270.04788	1.2
271.02045	16.1
272.02213	0.5
282.01212	1.7
283.02225	1.0
284.02908	2.0
285.03931	4.7
286.04388	16.9
287.04691	0.6
298.00974	1.5
298.04428	2.0
298.09088	0.4
299.01544	4.2
300.05914	1.6
313.03500	7.6
314.03885	50.9
315.04111	3.6
327.05460	0.4
328.05527	5.1
329.06223	17.3
330.06479	1.5
343.08371	0.7
344.08575	100.0
345.08850	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0616
Annotation	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
Peak:m/z	Relative Intensity
62.18129	1.0
69.75125	5.8
88.15562	1.2
95.01262	5.6
105.03377	1.1
106.84354	1.0
107.01262	3.9
111.00769	1.7
123.00767	6.1
124.01568	8.7
133.02795	1.2
143.04895	1.8
148.01567	2.7
149.02327	4.0
151.00304	14.7
151.01408	2.3
157.02844	1.4
159.04398	1.9
161.02405	1.6
163.00279	12.7
163.03979	1.3
170.03621	2.7
171.04405	3.7
173.02345	1.3
174.03125	2.1
175.03938	2.6
176.01070	1.4
177.01868	16.6
178.02547	1.2
183.04533	1.9
184.01564	1.1
185.02438	2.7
186.03096	1.4
187.03906	5.0
189.01825	1.4
189.05432	1.2
190.99844	1.5
192.00519	3.4
197.02327	1.6
198.03142	5.5
199.03889	6.1
201.01868	12.3
202.02414	4.3
203.03439	3.2
211.03987	1.8
213.01920	2.2
213.05511	1.5
214.02583	4.7
215.03464	14.8
217.01358	3.3
225.01935	1.3
226.02559	5.1
227.03444	10.6
228.04036	1.8
229.01413	3.7
230.02092	3.7
231.02919	4.5
241.01566	2.8
242.02165	14.2
243.02957	11.2
244.03439	1.2
253.01379	3.0
254.02040	3.7
255.02959	6.3
257.08246	1.7
258.01602	1.6
258.05310	1.7
259.02551	6.4
269.00955	6.8
269.03577	1.1
270.01678	16.2
271.02454	27.3
272.03168	2.7
273.00357	1.9
282.01578	1.2
283.02460	2.6
285.04053	21.0
286.01526	1.9
286.04810	6.0
287.02023	14.7
288.02469	1.7
297.00418	4.9
298.00815	9.5
299.02020	12.6
300.02713	8.7
301.03867	2.0
301.07062	8.5
313.03516	45.3
314.04269	11.9
315.01523	38.5
315.05063	5.1
316.01718	2.7
316.46390	1.1
317.06622	3.2
327.01593	2.6
330.03818	28.3
331.04135	2.4
345.06152	100.0
346.06500	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	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15659	0.6
55.30183	0.6
69.44145	1.7
69.44575	4.1
73.03492	0.7
73.27000	0.6
74.69115	0.8
98.19808	1.5
150.20050	0.7
173.02296	1.0
174.03130	1.3
175.00333	0.8
176.01079	1.0
182.03581	0.7
184.01521	1.3
186.03143	1.1
198.03134	4.8
200.01111	3.6
201.01910	3.5
202.02664	7.5
210.03177	1.3
211.04100	1.7
213.05612	0.8
214.02693	3.1
225.01952	0.9
225.05463	1.1
226.02689	18.1
227.03191	2.7
230.02209	0.8
239.03386	1.1
241.04959	1.1
242.02177	9.8
243.02702	1.5
254.02159	2.4
255.03043	1.3
256.03680	1.5
257.04532	0.8
269.04480	1.1
270.01688	22.8
281.04514	1.6
283.02548	2.0
284.03268	4.7
285.04047	41.8
286.04294	2.1
297.04083	1.8
298.01205	2.6
299.05609	4.6
309.04022	2.6
311.01828	0.9
312.02826	1.0
313.03549	88.5
314.03763	6.6
327.05042	11.1
328.05850	24.2
329.06268	3.2
343.08215	100.0
344.08557	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	343.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29807	0.4
98.00399	0.2
107.01311	0.3
121.54762	0.2
128.46239	0.2
146.03740	0.3
148.01535	0.2
151.00359	0.6
154.57277	0.2
158.03600	0.4
171.04454	0.3
174.03139	0.7
176.55630	0.3
182.03625	0.4
185.02328	0.3
186.03114	0.6
187.03951	0.3
189.01909	0.3
195.04561	0.3
198.03145	2.3
199.03801	0.3
200.01106	0.6
201.01936	1.2
202.02661	0.9
209.02388	0.2
210.03160	2.7
211.03966	0.9
212.01079	0.3
213.01843	0.9
213.05540	1.1
214.02644	2.6
215.03366	0.4
216.00571	0.3
223.03926	0.6
225.01897	0.6
225.05550	2.2
226.02675	8.8
227.03288	1.5
228.00613	0.7
229.01346	1.8
229.05032	0.4
230.02177	1.7
239.03415	1.3
240.04158	0.8
241.01390	0.6
241.04991	1.4
242.02159	10.3
242.04672	0.5
243.02798	1.0
245.04631	0.7
251.03601	0.4
253.01419	1.3
254.02170	3.8
255.02904	1.2
256.00085	0.3
257.04462	0.6
267.03003	1.1
268.03726	0.8
269.00940	1.5
269.04385	1.6
270.01694	18.6
271.02127	1.5
281.00967	1.4
282.01718	0.9
283.02441	1.7
284.03253	2.4
285.04037	21.8
286.04364	1.7
295.02490	0.4
297.00464	0.8
297.04044	3.4
298.01193	6.4
298.04340	0.5
299.02148	0.5
299.05615	2.1
300.05954	0.4
311.05661	0.3
312.02704	1.3
313.03540	79.3
314.03876	7.0
327.05066	5.8
328.05862	21.2
329.06232	2.1
343.08209	100.0
344.04395	0.5
344.08548	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	343.0823
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.44022	0.3
59.01251	0.5
68.80596	0.3
70.50837	0.6
70.51185	0.5
71.99024	0.3
76.78854	0.2
111.00832	0.2
127.80230	0.3
135.16039	0.3
137.02319	0.4
151.00256	0.6
154.04051	0.3
158.03568	0.4
161.02376	0.7
170.03656	0.6
174.03137	0.7
176.01062	0.4
177.01826	0.4
182.03705	0.6
185.02475	0.4
186.03218	0.9
195.04401	0.4
197.02579	0.3
198.03160	3.2
199.03714	0.4
200.01071	0.6
201.01840	1.0
202.02676	1.4
209.02364	0.3
210.03146	3.3
211.03864	0.9
212.01068	0.4
213.02036	0.6
213.05547	1.2
214.02673	2.8
215.03265	0.5
216.04008	0.3
217.05124	0.2
223.03989	0.4
225.01857	0.6
225.05524	1.8
226.02678	9.5
227.03371	1.8
228.00618	0.8
228.03847	0.3
229.01355	2.2
230.02121	1.4
239.03496	1.2
240.04253	0.7
241.01433	0.6
241.05083	1.0
242.02188	12.3
242.92166	0.3
243.02547	1.3
245.04507	0.7
253.01407	2.0
254.02203	5.3
255.02957	1.4
257.04538	0.9
267.03033	0.8
268.03766	0.9
269.00906	0.8
269.04544	1.8
270.01697	22.0
271.02103	2.1
281.00955	1.6
282.01672	1.2
283.02432	2.7
284.03284	2.0
285.04053	27.1
286.04410	2.8
289.32837	0.2
295.02426	0.9
297.00589	0.5
297.03986	3.8
298.01190	6.9
298.04507	0.7
299.01709	0.7
299.05612	2.9
300.05991	0.3
312.02777	1.5
313.03546	100.0
314.03909	9.0
314.07437	0.5
327.05139	8.1
327.08978	0.4
327.78433	0.3
328.05887	25.1
329.06235	2.4
343.08221	99.3
344.08569	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	343.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31959	0.5
86.81774	0.6
87.00739	1.1
87.04386	0.5
89.23038	0.5
98.94767	0.7
118.01864	0.5
148.01663	0.6
149.15526	0.5
151.00211	0.6
170.03688	0.7
174.03091	0.8
180.68361	0.5
182.03619	0.7
198.03152	3.1
200.01031	0.7
201.01933	1.4
202.02631	0.9
210.03244	2.7
213.01820	0.6
213.05571	1.3
214.02628	1.9
225.05460	1.7
226.02661	8.4
227.03224	1.7
229.01404	3.3
230.02153	1.5
239.03561	1.4
240.04315	0.7
241.05127	1.5
242.02171	12.9
243.02829	0.8
245.04539	0.7
253.01404	1.9
254.02127	5.2
255.02812	0.8
257.04480	0.7
268.03714	1.0
269.04477	2.2
269.99448	0.5
270.01678	20.4
271.02094	2.1
281.00842	2.1
282.01526	1.4
283.02527	2.4
284.03177	1.9
285.04034	22.9
286.04285	1.1
297.00775	1.1
297.04037	4.2
298.01202	7.0
299.01794	0.7
299.05600	3.1
311.02133	0.6
312.02734	1.5
313.03534	96.6
314.03882	7.7
325.14322	0.7
327.05136	6.8
328.05850	25.7
329.06137	2.2
343.08209	100.0
344.08603	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03844	0.4
55.41231	0.5
57.30672	0.4
65.00194	0.5
70.14857	0.9
70.15256	0.9
81.88627	0.4
90.94528	0.4
92.90768	0.5
98.19892	0.6
123.00795	0.7
132.18155	0.5
148.01567	5.0
149.99452	1.6
161.02345	0.7
163.03896	0.8
170.03505	0.6
174.03133	0.5
176.01033	0.5
177.01776	0.8
182.03648	4.4
182.61990	0.4
183.04375	0.5
185.02341	0.6
189.01872	0.7
197.06030	0.5
198.03209	3.3
201.01772	0.5
210.03127	3.2
211.03896	1.1
213.01892	0.9
214.02640	2.8
224.66704	0.5
225.01755	0.7
226.02657	9.3
227.03210	1.3
229.01331	0.5
239.03461	1.0
241.01382	1.0
241.04976	1.6
242.02197	6.0
253.01393	1.3
254.02060	2.5
255.02885	1.1
256.03848	0.6
257.04523	2.6
258.04904	0.5
267.02829	0.7
268.03625	0.7
269.01337	0.8
269.04559	4.4
269.98914	1.0
270.01685	11.0
271.01990	0.7
281.00873	1.0
283.02478	1.7
284.03314	0.8
285.04037	19.3
286.04343	1.6
295.02350	0.6
297.01114	0.5
297.04019	2.8
298.01215	8.0
298.04471	0.7
299.01639	0.8
299.05582	2.4
300.05930	0.8
312.02676	1.5
313.03537	94.1
314.03851	8.5
327.05112	5.7
328.05865	24.8
329.02808	0.8
329.06277	2.1
343.08206	100.0
343.21219	1.3
344.08566	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
69.47682	4.6
73.42501	0.6
91.26174	0.6
102.40210	0.5
119.04888	0.5
137.68280	0.8
174.03194	1.1
174.56239	0.5
177.01755	0.6
185.02342	0.6
186.03156	1.0
197.02338	0.9
198.03180	6.3
200.01015	1.2
202.02647	0.7
210.03156	1.7
213.01839	1.3
214.02660	5.2
225.01828	1.2
225.05574	2.0
226.02679	21.1
227.03204	1.7
228.00644	1.1
229.01373	4.5
230.02097	2.4
241.01407	0.8
241.05060	1.1
242.02179	11.4
243.02576	0.8
253.01431	1.3
254.02180	9.6
255.02823	0.7
257.04648	0.8
269.00873	2.9
269.04410	1.4
270.01709	28.1
271.02191	0.9
281.00955	4.2
282.01697	5.6
283.02390	1.0
285.04062	27.5
286.04443	2.2
297.00525	1.3
297.04031	1.9
298.01196	25.3
298.04553	1.3
299.01553	2.1
300.06406	7.1
313.03549	60.2
314.03909	5.0
328.05878	67.6
329.06262	6.6
343.08221	100.0
344.08527	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	343.0824
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
63.79536	0.4
63.80990	0.4
64.69283	0.4
70.29167	1.6
83.01214	0.5
98.75635	0.4
148.01567	0.7
159.86803	0.5
161.02338	0.7
166.97202	0.4
170.03706	0.6
174.03223	0.6
179.03494	0.6
186.03131	0.6
198.03110	2.3
200.01099	1.0
201.01961	0.8
210.03166	0.9
212.04807	0.6
213.01805	0.5
213.48813	0.5
214.02682	1.6
226.02652	6.1
227.03323	1.3
229.01416	1.4
230.02176	0.6
239.03481	0.7
241.05032	0.6
242.02144	5.5
243.02730	0.6
245.04601	1.7
253.01410	1.8
254.02126	2.1
255.02824	0.6
269.00977	0.6
270.01691	17.0
271.02087	0.9
281.00916	1.4
283.02444	1.2
284.03223	1.1
285.04047	18.9
286.04483	1.4
297.00793	0.9
297.04065	2.4
298.01135	2.5
299.01956	0.8
299.05536	2.2
312.02667	1.4
313.03543	93.3
314.03867	8.6
327.05072	7.5
328.05850	17.4
329.06232	1.3
343.08212	100.0
344.08575	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70594	0.5
59.01251	4.6
69.03333	2.3
69.22558	5.5
71.01253	2.1
83.04887	1.4
84.02044	1.7
89.02313	2.5
97.06467	12.8
98.06845	0.5
99.04397	0.7
101.02313	1.6
113.02341	1.2
119.03425	1.0
119.08549	0.7
121.10104	0.7
125.09613	1.9
137.09604	1.5
149.13300	0.8
165.12788	0.9
167.14406	0.5
171.10178	6.6
175.11137	0.7
179.05617	1.1
185.11739	1.0
193.12280	17.6
194.12547	1.2
197.15390	1.1
211.13428	3.2
214.84262	0.5
221.11699	0.9
225.14914	24.8
225.17148	1.2
226.15230	2.4
243.16010	10.2
253.14554	0.8
291.19672	1.6
305.21219	0.9
312.50766	0.5
323.22394	0.9
341.23309	100.0
342.07343	0.6
342.23660	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00488	2.5
59.01249	54.3
71.52741	4.5
73.30088	2.7
76.24818	2.3
85.75294	2.5
85.99151	2.2
87.92889	2.5
159.01338	4.0
201.00642	5.2
201.02498	100.0
202.02655	12.4
226.40251	3.1
313.03433	11.3
317.51199	2.6
343.08084	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76943	0.5
55.01763	6.6
55.02013	0.8
59.01254	3.4
69.25597	1.4
69.26017	4.4
71.01256	4.0
75.00746	1.7
80.38371	0.5
85.02828	1.1
85.75527	0.5
89.02321	4.8
89.03855	1.7
95.81298	0.7
96.21540	0.5
101.02307	3.2
106.04092	0.7
113.02334	1.2
116.91856	0.6
117.03335	8.3
119.03402	0.9
121.02837	0.7
124.76698	0.6
125.74635	0.7
129.01817	6.0
134.03632	79.7
135.03960	3.2
137.02370	1.1
139.03851	0.9
147.02902	5.5
149.05971	6.3
165.03934	2.5
178.02612	4.4
178.71394	0.5
179.05553	1.4
179.06999	0.6
191.10637	0.7
193.04993	100.0
194.05345	4.6
195.29916	0.6
341.08792	2.1
341.12030	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01757	1.8
57.03314	1.2
58.00464	3.3
59.01251	100.0
60.01600	1.2
69.67261	4.7
70.15034	0.7
71.01253	68.9
72.01567	1.0
72.99187	3.1
73.02851	0.8
83.01246	2.2
85.02828	10.0
87.00743	3.4
89.02315	74.9
90.02660	1.8
95.01257	5.2
101.02326	29.0
107.38823	0.7
111.02045	0.7
113.02332	24.9
114.02634	1.3
115.13994	0.8
119.03394	24.3
131.03419	2.6
143.03395	5.4
149.04471	2.1
154.66618	0.8
161.04494	5.3
179.05527	19.8
279.36789	0.8
285.11887	1.0
292.21994	0.7
327.07126	0.9
341.10870	21.1
341.26862	0.9
342.11301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81698	0.4
59.01252	3.1
69.03320	2.6
69.97713	1.5
71.01254	1.4
71.89847	0.5
83.04887	1.3
84.02032	5.6
86.08762	0.6
89.02303	1.3
97.02830	1.5
97.06471	11.3
97.29716	0.6
99.04394	1.7
108.78491	0.5
110.03613	0.8
119.03368	0.5
119.08566	1.2
125.09599	1.5
135.68521	0.4
137.09599	1.6
149.13287	0.5
151.11250	0.5
153.09044	0.7
165.12785	0.9
171.10184	19.0
172.10504	0.6
175.11240	1.2
177.12834	0.8
183.13799	0.8
193.12274	16.5
194.12622	1.1
197.15382	0.6
202.43767	0.5
211.13336	3.4
221.11765	1.3
225.14914	22.1
226.15205	1.5
243.13744	0.8
243.16014	11.0
253.14485	1.2
291.19641	1.9
298.04761	0.5
298.98120	0.5
323.22299	1.2
341.23303	100.0
342.23682	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	340.0459
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
54.20989	2.5
58.63588	2.9
59.01244	10.2
63.02269	3.1
65.00189	7.7
69.56783	5.1
69.57188	14.2
71.01263	10.6
83.01277	3.4
87.00751	7.2
89.02330	4.0
97.06504	2.9
107.01275	10.1
108.02094	2.7
118.66550	2.6
121.02871	4.0
125.02325	3.3
133.02882	3.3
139.00375	2.7
139.54916	2.6
147.04440	4.1
148.01563	4.1
149.02399	6.6
149.18823	2.6
151.00262	19.5
160.03899	4.3
161.02351	10.6
163.00226	3.0
164.04678	2.8
178.99730	4.8
179.05391	3.3
186.01900	5.4
187.00383	3.2
212.03502	7.1
214.01385	31.6
217.04829	2.5
217.83443	2.7
223.06090	5.2
227.03496	4.7
236.03568	3.5
239.03340	2.7
254.04552	4.3
255.02942	7.5
259.04480	3.0
267.03012	3.9
271.02502	16.5
283.02475	3.9
285.04080	11.5
295.02380	3.5
300.02716	100.0
301.03064	10.1
313.03381	17.4
313.63699	2.7
322.03583	22.0
340.00726	3.9
340.04584	50.3
341.04715	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02163	0.7
55.01756	5.7
57.03329	0.8
59.01251	4.9
61.62426	0.6
63.83023	0.6
69.03313	1.8
69.45612	4.7
71.01252	5.8
72.99178	1.3
75.00745	48.6
85.02829	2.0
85.06457	0.9
86.36748	0.7
87.00745	3.4
89.02329	4.2
89.03831	1.4
93.03342	0.8
97.06474	1.8
101.02316	2.8
106.04162	0.7
111.04472	0.9
113.02321	1.2
117.03328	3.9
119.03371	1.3
123.04388	1.0
129.01840	10.9
134.03633	67.7
135.03995	2.7
137.02336	1.3
139.07610	0.7
147.02939	4.2
149.04860	0.6
149.05962	3.8
151.03961	0.7
165.03957	100.0
166.04297	2.6
178.02643	1.3
179.05556	1.4
191.10680	2.0
193.04991	43.6
194.05334	2.7
217.12184	0.8
221.04431	0.7
237.21841	0.8
257.73865	0.6
261.11411	1.0
278.29315	0.7
281.10370	2.1
323.11411	1.4
341.12473	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.1
59.01240	0.6
70.84372	0.5
70.84723	0.6
71.01265	2.5
75.00745	1.9
85.02834	1.1
86.96066	0.3
87.00746	0.3
89.02338	1.1
89.03830	2.8
101.02326	1.1
117.03349	9.8
117.04183	0.5
119.03374	0.4
121.02829	0.3
124.58425	0.3
129.01836	6.8
132.47430	0.3
134.03635	94.1
135.03955	3.3
137.02332	1.2
139.03949	0.5
147.02902	7.1
149.05995	7.7
165.03935	2.6
172.56360	0.3
178.02621	3.3
193.04997	100.0
194.05342	5.3
341.08713	3.7
341.12195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2537
Annotation	Subamolide A
Peak:m/z	Relative Intensity
53.36303	0.7
56.87608	0.8
57.03326	6.2
57.20004	0.7
58.41146	0.7
59.01257	9.2
59.22203	0.7
69.03324	0.9
71.01250	2.8
71.54353	0.9
73.02834	0.9
81.03387	1.1
81.06969	8.0
83.04891	2.7
85.02842	0.8
89.02301	0.7
95.04879	1.1
97.06466	1.1
101.02319	1.8
113.02289	1.0
125.05967	0.8
171.96802	1.0
195.17485	41.8
196.17825	3.2
197.05997	0.9
239.16489	15.3
240.16951	1.1
241.08615	1.2
242.09375	1.1
279.10736	1.3
324.02835	0.7
324.06372	1.2
327.45789	0.8
331.84500	0.8
339.05249	1.1
339.16666	3.8
339.25381	100.0
340.16641	1.2
340.25732	12.7
346.47607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01250	14.5
66.76965	1.4
71.01253	2.9
71.52824	2.4
71.53292	2.4
96.95877	2.9
111.08046	28.8
125.88815	1.4
127.07500	3.4
163.03944	3.7
169.38860	2.0
173.04338	2.3
179.14360	3.8
191.05510	3.4
195.02908	2.2
197.15402	6.8
207.13701	1.6
225.14911	100.0
226.15245	6.4
227.16440	4.4
239.16452	13.6
241.24614	1.8
255.15996	3.9
291.19611	3.9
291.23303	8.2
293.21063	2.8
301.21805	3.5
319.22729	19.3
320.23041	1.7
337.05682	4.4
337.20111	3.6
337.23843	42.7
338.23950	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	339.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.4
63.70703	0.5
70.06459	2.1
71.01267	0.6
75.26794	0.5
76.57243	0.5
80.02549	0.8
95.01267	0.6
98.19825	0.6
101.59811	0.5
108.02052	8.2
109.02832	5.5
119.04926	0.5
121.02840	12.4
122.03652	0.6
122.82324	0.5
123.04404	8.0
133.02821	4.2
133.06470	0.8
134.03627	18.0
135.04439	4.3
144.62793	0.5
146.03670	0.5
147.04417	5.5
147.08063	5.4
148.05223	6.4
149.05986	11.9
151.07507	1.3
159.04396	2.3
159.11496	0.6
160.05203	2.6
161.05920	2.4
161.09610	0.7
163.07593	1.2
173.05997	3.5
175.07561	3.3
177.09125	18.0
178.09410	1.3
185.05984	0.8
187.07571	2.8
188.08353	3.7
189.09138	22.6
190.09425	1.1
201.09048	1.5
203.10709	41.4
204.11128	3.0
211.07518	0.7
214.06334	1.2
215.10716	5.1
237.05582	0.8
240.04259	3.5
251.07143	0.7
252.08116	0.6
254.05809	1.2
255.06598	7.3
265.12372	0.7
266.06137	0.6
269.08148	2.0
270.08969	5.2
281.08203	1.6
306.12643	0.6
309.11319	1.4
321.14822	0.6
324.13739	1.6
339.15997	100.0
340.16327	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.38495	0.3
70.83960	0.4
70.84303	0.6
116.66174	0.3
163.11201	100.0
164.11522	5.7
183.01154	0.6
194.92308	0.3
339.20157	1.7
339.23288	48.4
340.19736	0.5
340.23599	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	339.254
Annotation	Subamolide A
Peak:m/z	Relative Intensity
57.03323	7.2
59.01253	8.8
59.05630	0.8
63.33859	0.8
69.03333	1.5
71.01253	1.8
71.04920	0.7
73.02811	2.5
79.02376	0.7
81.06972	9.9
83.04892	3.8
89.02313	0.9
95.04848	0.8
97.06490	1.0
98.20602	1.6
101.02310	1.5
107.58900	0.7
152.99507	0.7
153.90622	0.7
161.04391	0.9
162.03107	0.9
171.10159	1.8
179.14354	0.9
183.01129	2.4
195.17488	46.2
196.17863	3.3
221.15218	1.9
239.16499	17.4
240.16798	1.9
249.14954	0.8
249.38129	0.8
254.60811	0.7
279.11243	0.8
279.14240	0.7
289.18225	1.0
339.16730	4.4
339.25388	100.0
340.22073	1.1
340.25766	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.55494	0.4
56.63134	0.5
59.01239	1.1
60.59474	0.5
67.01764	1.0
69.47232	3.3
81.03345	0.5
85.02827	5.6
87.00750	1.8
93.03343	5.8
94.98384	0.5
96.47723	0.4
111.04403	1.9
119.04949	1.4
127.03925	1.9
145.02754	0.6
163.03893	2.8
171.02928	0.8
173.04491	2.8
191.05540	100.0
192.05884	2.9
300.62463	0.5
337.09412	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12274	0.3
57.03309	1.0
59.01243	1.2
60.99170	0.5
67.01763	4.7
69.03310	1.2
69.77022	1.5
71.01250	3.2
79.53905	0.3
81.03315	0.9
83.04893	1.0
85.02819	0.9
87.00744	0.5
93.03334	25.8
94.03671	0.6
98.20501	0.4
99.00761	0.4
109.02821	1.0
111.00766	0.9
111.04404	5.6
113.02307	0.4
115.03927	0.3
119.04918	14.2
120.05208	0.5
127.03935	0.4
127.23903	0.3
137.02347	5.2
143.20821	0.3
155.03397	4.5
163.03923	19.3
164.04288	0.6
173.04468	100.0
174.04784	3.9
191.05560	2.5
287.82053	0.3
337.09216	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03320	1.4
59.01243	2.1
60.99172	1.2
65.89980	0.8
67.01759	8.1
69.03313	1.8
70.71676	2.6
71.01260	3.8
81.03342	1.8
83.04874	1.0
85.02831	7.2
87.00751	5.6
91.20180	0.7
93.03337	44.7
99.04346	0.8
109.02835	1.7
111.04393	7.7
119.04919	28.2
120.05325	1.0
127.03909	2.5
129.01779	1.1
137.02353	4.4
145.02896	1.9
155.03374	5.5
163.02533	1.0
163.03920	20.6
164.04175	1.2
173.04472	100.0
174.04776	3.6
191.05542	75.5
192.05835	2.3
231.38850	0.9
289.49167	0.8
337.09583	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.02533	0.3
59.01247	1.7
60.11258	0.3
60.78345	0.3
70.87762	0.5
71.01252	1.3
78.95776	0.7
81.03345	0.4
83.01272	0.4
83.04915	0.8
85.02818	1.9
85.26923	0.3
87.00743	0.5
89.02268	0.5
93.03339	2.7
95.01276	0.3
99.00768	0.4
101.02341	0.5
102.79526	0.3
110.98385	0.7
111.01931	0.7
111.04401	2.5
112.04766	0.3
113.02338	0.7
113.99484	1.3
115.00271	0.6
117.03374	0.3
119.04916	51.3
120.05215	1.9
121.02884	0.3
127.03909	0.5
129.01894	0.3
135.04398	0.6
137.02377	0.3
144.06519	0.3
155.03415	2.7
157.01279	0.3
159.73181	0.3
161.04407	0.3
162.03122	1.0
163.03918	100.0
164.04253	4.2
173.04472	5.0
174.01654	1.1
174.03073	0.5
175.09702	0.4
191.05537	12.7
191.06873	0.6
192.05791	0.3
203.07106	1.2
206.38196	0.3
249.07675	0.9
277.05722	1.5
293.09955	0.4
337.07761	6.7
337.15143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	Jiadifenin
Peak:m/z	Relative Intensity
56.07299	0.9
59.01258	2.8
66.11953	1.0
69.90076	5.3
71.01294	1.0
84.04901	0.9
87.00756	48.2
89.72660	0.9
93.03370	2.2
97.06503	1.3
101.02305	1.4
109.02863	2.9
117.42828	1.3
119.04930	1.6
121.02873	1.1
122.03696	1.1
123.04425	17.0
130.99768	2.0
146.03629	1.0
147.04430	1.8
149.02336	2.3
149.05978	4.2
157.85696	1.2
159.04424	2.0
161.02374	3.0
161.05977	1.7
163.03918	2.9
163.75198	0.9
165.05560	1.1
172.05223	16.1
173.04428	3.6
173.05952	3.9
174.03185	9.1
175.03966	6.4
175.07558	2.2
176.04732	8.3
177.01826	2.4
177.09183	1.4
183.04501	1.3
185.05991	3.4
186.06738	2.5
187.03984	4.5
187.07593	67.2
188.04738	2.0
188.07928	3.3
189.05527	11.0
190.06187	1.1
191.05585	5.9
193.04999	2.9
197.06027	4.6
198.06776	3.2
200.04750	4.3
201.05563	2.7
201.09187	1.9
202.06253	4.9
203.07109	32.1
203.10825	1.1
204.04193	2.7
204.07639	4.7
205.08630	11.1
213.09132	11.5
214.06403	1.2
215.07100	29.2
216.07417	2.1
229.08711	5.7
231.06604	56.1
231.10008	6.8
232.07030	3.5
233.08180	5.4
239.07150	1.2
247.09737	5.8
249.07799	1.9
257.08246	5.8
259.06119	30.9
260.06528	2.2
275.09317	6.7
319.08307	1.6
337.09299	100.0
338.09772	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	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.82101	0.8
54.85410	0.8
57.03336	1.1
59.00991	1.1
59.01251	10.2
65.06896	0.9
68.99689	5.9
69.03304	1.8
70.83099	2.1
71.00906	1.2
71.01260	16.6
72.99175	3.7
73.02821	2.3
75.00732	3.2
83.01252	2.8
85.02828	10.0
87.00758	8.7
89.02323	5.9
90.46598	0.9
95.01253	2.4
97.02810	1.4
99.00746	8.2
101.02320	3.8
111.00772	5.8
113.02338	9.8
113.99480	22.6
115.00274	9.7
122.23032	0.9
127.00269	8.7
129.01855	3.4
131.03352	1.0
138.08440	0.9
139.00218	2.9
141.01852	1.4
144.06551	7.7
157.01332	16.2
174.00194	1.6
174.01610	20.7
175.02339	2.2
179.05539	1.9
201.48810	0.9
250.83583	0.9
277.05621	22.3
278.06061	1.0
337.07761	100.0
338.08105	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
60.99182	0.3
62.55274	0.2
67.01756	1.0
69.03321	0.4
71.01252	0.9
81.03345	0.6
83.04894	0.4
85.02821	8.3
87.00748	2.5
88.75581	0.2
93.03335	6.8
98.19737	0.4
108.38392	0.2
109.02840	0.6
111.04400	1.2
117.03331	0.3
119.04907	2.7
127.03899	2.3
137.02405	0.2
145.02840	0.7
148.87570	0.2
155.03450	0.3
163.03908	2.3
171.02917	0.5
173.04475	2.2
176.03310	0.3
191.05539	100.0
192.05891	3.8
197.38315	0.2
222.50540	0.2
337.09219	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.81985	0.5
59.01244	1.2
62.36488	0.4
67.01752	0.9
71.01249	1.1
71.01994	1.3
71.02361	0.5
72.13021	0.5
75.74113	0.5
79.28062	0.5
83.04915	1.3
85.02821	3.1
93.03340	6.3
101.74774	0.4
109.02893	0.5
111.04421	3.6
119.04919	54.8
120.05264	1.6
127.03902	1.5
155.03462	1.8
163.03920	100.0
164.04256	3.8
173.04475	6.2
191.05539	21.5
249.04953	0.5
337.09320	4.4
338.09521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0979
Annotation	CHEBI:90278
Peak:m/z	Relative Intensity
56.05017	1.8
68.99683	2.7
79.05381	2.2
91.05407	6.2
93.03342	2.9
95.04903	2.9
97.06467	8.6
98.19830	3.4
103.05416	4.5
105.03325	7.2
107.04889	3.8
108.02038	1.6
112.05146	1.5
119.04914	7.3
119.05657	1.4
121.02850	23.4
122.03692	6.8
129.03328	2.8
131.04904	1.6
132.02072	2.1
137.02348	7.4
139.03917	3.7
146.03581	2.3
147.04420	100.0
148.05225	15.2
149.05931	2.8
160.05194	1.6
161.02328	11.9
162.06798	9.3
175.04004	1.5
176.04665	4.0
187.07562	1.9
188.08336	3.0
191.03427	34.9
192.04176	15.2
217.12308	15.5
245.11839	12.4
261.11295	8.6
289.10828	33.4
290.11139	3.1
333.09839	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	333.207
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
52.15150	0.8
52.42658	0.8
59.01254	1.2
69.47655	6.6
88.68927	0.8
95.04886	1.0
97.06461	1.9
98.19804	1.3
103.05450	0.9
105.03329	2.0
107.96158	0.8
119.04886	1.7
121.02840	4.9
121.76150	0.8
122.03620	1.3
136.09119	0.9
137.02351	2.5
137.18671	0.9
147.04417	26.0
148.05185	3.6
148.40843	0.9
156.38480	0.9
159.04311	1.0
161.02333	3.0
172.05185	1.4
176.04712	2.1
176.66469	1.0
187.03963	1.5
188.01111	1.2
189.05559	1.1
191.03416	8.0
192.04190	4.7
201.09119	1.9
205.01260	1.0
227.10831	1.8
231.03027	5.1
242.99352	1.0
245.11838	4.3
246.05347	1.0
254.57288	0.9
261.07651	5.2
271.20792	2.4
289.10864	3.5
289.21735	100.0
290.22098	9.5
315.19693	1.0
333.06161	1.6
333.09848	4.1
333.20703	36.0
333.24686	2.0
334.21161	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35481	0.9
55.01768	1.0
59.01252	57.0
71.01253	22.9
72.99170	1.5
73.02820	28.3
75.00781	1.1
76.39082	1.0
83.01263	8.0
85.02818	3.1
85.06466	16.6
87.00751	2.1
89.02325	3.8
97.02781	1.1
99.08027	1.4
101.02321	17.9
113.02336	4.6
113.05978	2.7
115.07538	1.7
119.03364	1.0
127.07512	1.9
131.03421	1.1
131.07036	60.8
132.07390	1.4
161.04440	2.0
173.08099	3.0
201.09238	0.8
231.02902	1.1
275.11417	5.1
293.12381	16.1
335.13474	100.0
336.13812	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0981
Annotation	Melampodin B
Peak:m/z	Relative Intensity
59.01240	2.3
60.25557	0.7
66.73861	0.7
68.99677	1.1
69.24379	7.7
79.05423	1.6
91.05407	2.8
93.03331	1.4
93.15942	0.7
95.04916	1.5
97.06470	0.9
103.05405	3.0
105.03328	5.7
108.02066	1.6
109.02843	1.0
119.04916	4.8
121.02843	8.2
122.03640	9.9
129.03340	2.3
133.02872	3.6
137.02350	54.3
138.02690	1.4
139.03920	15.6
140.04128	0.7
142.54466	0.8
145.02888	1.5
147.04427	100.0
148.05225	37.6
149.05602	2.1
163.03931	4.5
164.04718	3.2
172.77428	0.7
191.03426	9.0
192.04213	61.3
193.04573	4.5
197.57545	0.7
203.32297	0.6
207.02922	8.0
224.03293	6.2
236.03256	14.8
237.03596	1.2
245.11761	1.5
289.10815	1.3
333.09830	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	333.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92278	0.4
52.81418	0.4
57.45260	0.4
59.01250	0.9
62.61828	0.4
68.99681	1.7
69.86978	1.7
79.05370	0.9
91.05408	6.0
93.03334	1.7
95.04394	0.4
95.04904	2.7
97.06481	1.7
103.05413	3.9
105.03343	7.7
107.04884	1.4
108.02039	1.5
112.05188	0.6
119.04922	8.7
120.05195	0.5
121.02846	9.5
122.03646	4.9
124.01573	0.5
129.03378	3.4
131.04930	1.2
133.02843	1.6
137.02341	21.2
138.02663	0.6
139.03902	7.3
145.02899	0.7
146.03658	1.2
147.04419	100.0
148.05225	20.5
149.05812	1.4
161.02377	4.7
163.03947	2.3
164.04645	0.7
175.03896	1.1
176.04681	2.1
187.14648	0.4
191.03419	16.0
192.04205	21.3
193.04749	1.6
207.02914	1.3
214.71722	0.4
218.02052	0.5
224.03268	0.7
227.11006	0.4
245.11830	1.1
271.83325	0.5
289.10864	2.1
290.11542	0.6
333.09784	11.6
334.10202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.098
Annotation	CHEBI:90278
Peak:m/z	Relative Intensity
56.85706	1.5
58.41570	1.4
63.21497	1.7
69.77527	4.4
69.77943	4.6
85.02782	1.6
91.05379	2.8
97.06467	7.3
103.05483	1.5
105.03362	2.2
107.04903	1.8
119.04913	4.6
121.02854	6.1
122.03638	3.4
126.45139	1.7
129.03374	2.5
135.04382	2.6
137.02296	3.5
145.02873	3.7
146.03624	17.7
147.04422	38.1
148.05226	16.3
149.06007	1.8
156.65982	1.6
159.04474	3.7
160.05199	6.3
160.43449	1.5
161.05940	6.6
162.06778	60.0
163.07254	1.7
164.04710	2.1
172.05252	2.2
173.05952	7.5
174.06709	5.1
175.07613	1.8
176.04720	7.8
176.08363	2.2
177.05373	1.6
177.09099	5.1
178.09770	1.6
180.04164	1.9
187.07584	5.8
188.04630	3.3
188.08359	22.0
189.05444	2.6
189.08961	2.7
191.03392	4.9
191.10693	10.1
192.04138	4.2
194.05746	5.3
197.05934	2.7
199.11238	4.1
201.09119	4.7
215.10783	4.4
217.12289	100.0
218.12668	6.5
227.10703	11.1
245.11818	28.7
246.12074	1.9
260.88876	1.8
261.11282	40.6
262.11737	2.2
289.10818	68.7
290.11130	4.5
315.08704	2.0
333.09814	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	331.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35865	30.9
59.01245	34.2
59.90620	23.4
71.26721	24.7
71.53294	46.1
78.95792	100.0
83.37034	31.5
84.46258	24.7
115.17988	28.1
122.85239	33.2
152.99510	93.7
158.03770	25.3
171.30348	26.8
244.70197	27.8
269.73395	29.9
280.23657	53.1
295.22903	36.1
331.07843	54.6
331.19189	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68991	43.2
59.01241	66.5
71.37740	81.9
75.61559	44.7
78.95784	60.6
82.46070	40.3
95.26524	48.5
101.67884	40.6
123.23434	47.1
145.02834	96.2
152.99486	100.0
153.01886	38.8
155.80138	48.7
165.20363	38.5
191.25967	39.9
331.01202	61.1
331.08051	63.1
332.17163	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.7
68.99706	1.5
69.31857	7.6
79.05388	1.4
91.05396	4.8
92.11639	0.8
93.03331	1.8
95.04892	1.7
97.06459	1.1
98.19830	1.8
103.05394	3.5
105.03333	5.6
105.27161	0.9
108.02047	1.6
119.04930	6.1
121.02844	8.9
122.03649	7.4
124.01487	1.1
129.03311	2.0
133.02856	4.2
137.02347	57.9
138.02652	2.0
139.03911	22.0
140.04280	1.5
145.02907	1.1
146.03638	1.3
147.04422	100.0
148.05223	44.2
149.05579	2.2
151.28955	0.9
163.03926	5.7
164.04695	4.1
177.67224	0.8
179.03145	0.8
191.03444	9.5
192.04202	67.3
193.04575	3.7
197.35442	0.8
207.02960	6.5
223.38029	1.0
224.03233	6.2
227.10661	1.9
236.03217	15.9
237.03665	1.4
245.11888	1.2
261.02823	1.0
289.10748	1.6
333.09747	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	333.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36448	1.8
57.03323	16.1
58.07365	2.0
65.03828	1.8
68.44212	2.0
69.03313	5.5
69.46394	5.6
69.46803	6.8
73.02810	3.6
74.05669	1.9
85.02832	2.9
95.04881	3.2
97.06480	6.4
101.02330	11.4
107.73177	2.1
109.02821	7.4
119.04928	2.7
121.02868	2.1
122.03622	3.5
123.04365	2.8
135.04391	2.2
137.02368	12.8
139.03876	5.0
146.03604	6.4
147.03300	4.1
147.04420	52.2
148.05223	16.6
149.05930	4.3
155.04898	2.3
157.10143	2.4
159.04422	26.2
160.05255	9.7
161.05972	6.6
163.07523	8.7
172.05203	59.0
173.05997	93.7
174.03099	4.8
174.06725	9.8
175.03886	5.3
175.07500	9.2
176.04703	15.7
183.04391	4.3
183.08009	2.5
185.05952	4.3
186.06807	15.3
187.04007	13.5
187.07562	55.7
188.04625	4.3
188.08305	11.2
189.05502	30.3
189.09151	19.3
192.04152	7.5
196.05219	6.7
197.06018	28.3
197.52597	2.2
198.06792	15.8
199.07437	4.9
200.04677	8.0
200.08243	3.2
201.05515	38.5
201.09140	100.0
202.05981	4.4
202.09482	7.3
203.07053	8.4
204.04033	3.1
204.07861	56.8
205.08258	4.8
209.09622	2.6
211.07529	5.4
212.08261	9.8
214.06189	2.6
215.07100	53.8
215.10521	3.0
216.07826	44.1
217.04924	6.7
217.08282	2.3
217.12242	9.6
225.09209	12.1
227.10735	86.9
228.11021	6.0
229.08687	10.6
243.10190	4.5
245.08058	3.5
245.11800	66.9
246.12015	3.1
260.06985	4.1
271.09744	10.4
289.10815	29.6
290.11172	3.8
333.09860	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73254	1.7
57.03321	2.2
66.38584	1.3
69.03326	3.0
69.38867	10.3
85.02830	4.3
87.00755	1.4
91.04094	1.3
93.03370	2.0
101.02309	3.4
109.02820	1.9
111.00708	1.7
128.01067	1.5
137.02303	2.3
145.06424	1.6
146.03680	1.8
147.04402	8.3
149.10033	1.4
157.06372	1.4
158.03716	1.6
159.04436	8.4
160.05188	3.1
161.02429	1.6
161.06068	3.4
162.03047	1.7
169.06529	2.1
170.03673	2.5
171.08041	2.0
172.05205	10.4
173.06017	12.3
173.09631	5.1
174.06726	4.7
175.03949	2.8
181.06525	3.4
183.04346	2.0
184.05261	4.2
185.06006	24.2
186.06717	12.0
187.03912	22.4
187.07552	20.8
188.04706	21.8
188.08066	2.2
189.05316	2.5
189.09212	2.6
196.05235	6.3
197.05966	4.4
197.09578	2.1
198.06769	2.6
199.03943	6.9
199.07582	59.1
200.04749	1.9
200.08273	12.7
201.05504	10.9
201.09085	6.4
202.06261	20.0
207.08133	3.9
209.06020	14.6
210.06787	13.5
211.04005	1.9
211.07552	2.1
212.04800	1.8
213.05545	19.8
213.09102	4.8
214.06313	37.3
214.09891	1.8
215.07034	3.8
215.10744	18.0
216.11179	1.7
221.05870	2.1
221.16351	1.3
223.07533	11.0
224.08347	5.0
225.09163	70.7
226.09509	5.3
227.07085	8.0
228.07849	4.7
232.03741	9.7
241.08707	6.0
242.09470	2.4
243.06456	3.5
243.10233	100.0
244.10602	8.7
269.08127	3.1
285.07617	2.2
287.09265	18.0
288.09650	1.6
303.08752	3.9
314.69302	1.5
331.08243	21.6
332.08688	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	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01239	17.2
71.01264	11.8
71.43886	13.5
81.79716	6.1
86.53928	6.9
87.00758	23.8
122.06032	47.2
136.07558	18.8
140.43953	6.6
150.05519	100.0
152.07014	6.7
156.31990	6.6
157.46773	7.7
163.92871	7.4
219.04895	6.7
222.07646	10.2
312.10907	46.4
312.43607	7.4
330.11984	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	331.0461
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
59.01248	0.4
69.03332	0.6
69.24220	2.7
69.24635	1.0
71.01264	0.6
81.23661	0.4
87.00733	0.6
123.00805	0.5
125.02319	0.8
147.00899	0.6
148.01535	1.7
151.00269	1.2
154.04132	0.7
156.02054	0.6
157.02895	0.5
158.03656	0.9
160.01550	0.4
161.02325	0.7
169.01389	0.6
169.02777	1.0
170.03600	1.7
172.05219	1.2
173.02293	0.7
173.05948	0.7
174.03143	2.5
175.00397	0.6
175.45798	0.4
176.01088	3.5
177.01871	3.6
181.03009	0.5
182.03603	1.3
183.10300	0.5
185.02304	0.9
185.06046	0.9
186.03139	1.7
186.06770	0.5
187.03964	0.8
187.07594	2.1
189.01855	0.8
189.09187	0.5
190.02534	0.6
196.05220	0.8
197.02356	1.0
198.03156	6.8
199.03728	0.8
199.07585	1.5
200.01073	1.2
201.01868	2.4
202.02611	1.8
210.03157	6.4
211.03818	1.0
212.01105	1.1
213.01897	1.2
213.05518	1.7
214.02693	6.0
214.06174	1.3
223.07561	0.8
225.01878	1.4
225.05406	3.3
225.09113	0.8
226.02676	14.4
227.03355	2.4
227.63313	0.5
228.00645	1.3
229.01309	4.5
230.02237	2.4
241.01442	1.3
241.04947	0.8
242.02187	9.3
243.02753	0.9
243.10298	3.5
245.04510	1.1
246.01591	0.6
253.01401	1.2
254.02180	7.6
257.04474	0.6
269.00912	2.4
269.04425	1.3
270.01694	14.0
271.02194	1.8
281.00824	1.0
285.04028	6.4
287.05798	0.8
287.09302	1.3
297.00403	0.7
297.97925	0.8
298.01199	10.6
299.01663	0.9
313.03540	100.0
314.03900	8.5
331.04568	8.1
331.08231	1.4
332.04953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03320	1.0
59.65458	0.7
65.68301	0.6
68.02789	0.6
70.85058	1.9
99.08046	5.9
102.27752	0.8
120.18874	0.8
125.09605	1.5
127.11189	3.9
127.73519	0.9
139.11180	5.6
167.14288	1.1
171.08771	1.0
171.10191	16.6
183.13831	5.3
193.12277	1.5
209.11797	1.1
211.13339	28.9
212.13544	1.0
213.05515	0.9
215.10623	0.8
229.14397	17.6
243.02936	1.9
271.02451	2.1
293.21118	1.2
299.01944	3.1
311.22305	0.8
313.03500	1.0
314.04294	1.9
329.06628	5.7
329.23322	100.0
330.23737	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	329.2335
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
58.00465	1.7
59.01255	4.3
65.00195	0.7
79.05389	1.4
84.68798	0.6
93.03355	0.5
99.08040	7.9
99.49758	0.5
111.08058	0.5
111.11816	0.5
113.09579	0.7
127.07548	1.8
129.09100	6.9
135.88052	0.6
136.98717	0.7
147.04417	1.3
149.05998	1.3
155.14224	0.8
156.93546	0.5
163.00211	0.7
167.10634	1.0
169.12276	4.8
171.10133	0.7
174.03098	0.6
181.12267	5.0
183.13857	2.3
187.03879	0.9
189.05547	0.9
193.05029	0.6
193.12251	2.3
197.11719	2.6
199.13348	19.0
200.13686	0.7
203.03455	0.6
211.03931	0.6
211.13356	13.5
212.13612	0.6
213.05434	0.7
214.10002	0.6
227.03378	0.9
227.12718	0.8
229.14479	1.6
243.03004	0.9
255.02965	0.9
257.00867	0.6
271.02435	7.1
271.05106	0.8
272.02841	0.6
275.20081	0.8
289.95941	0.5
293.21243	4.0
299.01965	11.5
299.04794	0.5
300.02185	1.6
311.12906	0.9
311.22217	1.8
314.04236	5.1
315.04675	0.6
329.03329	0.7
329.06702	11.7
329.23328	100.0
330.07089	1.7
330.23694	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	329.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47696	0.7
59.01251	3.9
69.04730	0.8
71.52752	1.7
82.02856	10.0
97.04501	0.7
104.04928	0.8
106.06525	9.7
108.04401	1.7
109.85965	0.8
110.02325	2.3
121.02845	1.2
122.05977	3.2
129.03290	0.9
132.04443	42.8
133.05179	1.7
134.06009	42.0
135.04417	1.0
136.03966	4.7
145.02858	1.1
148.03880	1.4
149.02397	0.9
149.04707	3.5
152.07057	4.1
158.03613	1.8
159.04419	1.4
160.03955	24.1
160.05147	1.7
161.04729	35.0
162.05511	94.9
163.03906	1.2
163.05872	4.0
164.07100	2.5
174.03157	2.0
175.07439	1.4
176.03401	5.2
177.01917	1.4
178.66080	0.9
183.04433	1.0
185.02280	1.1
186.03130	2.3
187.03856	1.1
190.06282	1.0
193.03728	64.9
194.04236	3.3
196.05305	0.9
197.05885	1.0
198.03064	1.0
199.03853	2.8
200.04688	2.5
201.01863	5.1
202.02687	1.9
210.05424	1.0
211.07550	1.4
212.05215	0.7
212.07007	5.5
213.01904	1.1
213.05377	0.8
213.07588	1.4
213.09383	1.6
214.02676	1.8
214.08684	6.2
218.05627	0.9
226.02711	1.0
226.06616	0.9
226.08693	3.6
228.04413	0.8
229.08621	10.4
240.10297	1.8
241.06123	8.0
241.08684	3.0
242.02066	2.3
242.06252	1.3
242.11832	4.6
243.11324	4.2
254.06816	1.4
255.07768	1.0
256.08282	1.1
257.09399	12.1
258.08722	1.0
268.09735	3.1
269.09277	9.0
271.02386	2.5
285.07739	20.5
285.12433	91.0
286.07910	1.8
286.12744	6.4
297.12408	1.1
299.01855	4.0
311.06543	1.4
311.10312	11.5
312.10657	1.0
314.03949	4.5
329.02957	6.2
329.06796	6.8
329.11365	100.0
330.03290	1.0
330.11563	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	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.3
59.01243	6.3
65.00185	1.5
67.91949	0.4
71.01249	0.7
71.53652	0.7
72.99185	0.4
79.05402	2.3
86.62411	0.4
90.22350	0.4
93.19715	0.4
97.06461	0.8
99.08035	8.4
102.85260	0.4
113.09607	0.7
117.65344	0.4
127.07518	1.2
129.09099	7.9
136.98663	0.7
137.85411	0.4
147.04463	2.3
149.05968	1.6
159.04379	0.6
160.05292	0.5
161.02257	0.4
163.04021	0.4
163.11160	0.6
167.10674	0.5
167.14311	0.6
169.12296	4.5
171.10205	1.2
181.12257	4.9
183.13853	2.7
185.06143	0.5
189.05544	1.1
193.04997	2.0
193.12245	1.8
197.11674	2.2
199.03960	0.8
199.13332	17.9
200.04716	1.0
200.13684	1.1
202.06303	0.5
203.03424	0.9
211.13339	14.3
212.13632	0.8
215.03333	0.8
215.07010	0.4
220.06551	0.5
227.03471	1.7
227.12898	0.5
229.14406	2.4
243.02814	0.8
252.15176	0.5
255.02963	0.9
267.17554	1.0
271.02460	9.0
272.02893	0.7
275.20068	0.7
285.18332	0.5
293.21194	3.5
299.01941	10.6
300.02261	1.4
309.20599	0.5
311.12875	1.5
311.16312	0.6
311.22281	3.1
313.03720	0.5
313.58527	0.5
314.04288	5.0
329.03024	0.8
329.06631	12.6
329.13980	2.2
329.17294	3.2
329.23312	100.0
330.07047	1.3
330.23676	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30672	1.0
51.51670	1.0
59.01254	5.9
62.93022	1.1
69.68339	6.4
71.01250	9.2
73.02810	2.7
85.02838	3.4
101.02347	6.2
108.02027	1.2
109.02814	3.5
113.02361	5.3
121.02837	2.4
122.03627	100.0
122.59767	1.0
123.04536	6.8
135.04402	2.3
137.02303	2.6
150.56804	1.0
154.21220	1.1
159.02892	2.2
161.04478	9.8
164.87419	1.2
165.05521	5.9
177.05493	2.8
179.46371	1.2
254.44249	1.1
285.09808	2.5
329.08847	5.4
329.22745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.103
Annotation	Monocillin I
Peak:m/z	Relative Intensity
59.01244	10.5
59.13137	0.9
59.69630	1.0
62.95233	1.1
66.72353	1.1
67.01765	1.1
71.52863	1.6
77.87902	1.0
82.05404	1.0
87.74105	1.0
93.03289	1.5
99.07990	1.4
106.09772	1.0
109.02859	1.8
117.03348	1.2
121.02832	1.7
124.01488	1.6
131.04892	1.3
135.04391	3.0
136.98653	1.9
137.02322	5.1
138.03096	5.2
147.04445	3.4
149.02361	4.2
151.03905	2.0
153.05484	9.6
161.02356	3.6
163.03925	24.7
164.04570	1.8
171.10127	3.6
175.03928	13.9
179.03444	1.3
179.07008	2.6
182.02107	1.5
187.03882	1.4
197.63866	1.1
199.03859	1.3
211.13321	3.3
212.04695	2.5
213.05580	2.2
215.03296	1.9
223.91985	1.3
227.03435	3.8
227.07069	2.3
229.04919	2.1
229.08711	1.3
229.14423	2.3
243.02997	3.6
255.03087	1.9
255.06583	3.1
271.02463	20.0
272.02814	1.6
284.03183	4.5
287.22147	1.3
299.01929	27.6
299.05505	6.2
300.02164	2.7
301.10922	1.6
314.04306	11.8
328.22339	2.1
329.06607	26.0
329.10275	100.0
329.23328	15.9
329.26968	1.5
330.07144	2.9
330.10608	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
59.74368	2.3
71.64513	2.5
78.56689	3.0
79.86148	2.4
94.04665	2.1
128.01053	2.8
145.06488	5.8
147.04446	8.4
149.05939	6.9
156.05678	4.1
157.06482	4.1
158.03671	9.2
159.04445	8.6
169.06537	3.2
170.07358	3.7
171.07878	2.5
171.10170	3.3
172.05200	4.6
173.02382	12.5
173.05980	29.1
174.06779	15.7
180.05722	3.0
183.04491	12.0
183.08128	3.3
184.05212	21.9
184.08815	5.6
185.06036	13.0
185.09689	16.5
186.03098	2.8
187.04012	14.3
187.07709	2.7
193.04962	5.0
195.08066	6.9
196.05162	4.8
197.05980	19.0
197.09583	3.3
198.06822	13.8
199.03886	2.9
200.04755	14.7
201.05525	26.1
202.06317	62.8
203.06706	2.7
208.05276	3.2
211.02545	2.2
211.04039	24.8
211.07553	16.5
212.04720	30.9
212.08319	9.4
213.05762	18.2
213.09157	100.0
214.06073	3.0
214.09436	6.5
223.07596	7.7
225.05537	8.0
226.06277	7.6
227.03435	5.4
229.08704	3.1
232.03729	2.9
239.07124	9.6
241.08687	91.5
242.08960	7.1
243.02969	3.9
256.03635	7.4
256.07239	2.8
257.08212	15.4
271.02509	23.7
271.33496	2.7
283.06042	3.9
285.07742	43.2
286.08115	4.8
299.01990	38.9
311.12955	28.4
314.04330	14.3
314.07681	3.3
329.02966	2.2
329.06689	45.7
329.10483	5.3
329.13983	40.1
329.23016	11.7
330.06943	2.6
330.14154	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	329.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04235	0.5
68.52969	0.4
69.34530	1.4
69.34956	2.5
79.58525	0.5
81.82703	0.5
100.62919	0.4
132.95886	0.5
135.00772	0.6
137.02344	0.9
138.76433	0.4
149.02371	2.6
151.00215	1.5
161.02365	0.5
187.03906	0.6
191.85725	0.5
199.03946	1.9
201.01811	0.8
203.03416	0.8
215.03426	0.9
227.03430	3.5
231.02814	0.5
243.02997	5.2
254.62073	0.5
271.02475	100.0
272.02802	7.9
284.35126	0.5
299.01959	89.8
300.02307	7.8
314.04318	22.0
315.04718	1.6
329.06650	94.2
330.06964	12.0
353.99637	0.5
354.87564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22044	0.4
59.01233	1.0
65.00195	1.0
67.06294	0.4
85.02781	0.5
88.86346	0.4
106.00465	0.6
109.02808	1.8
114.84942	0.5
119.01241	0.6
121.02814	0.5
121.99978	0.5
123.00791	0.6
133.99951	1.0
135.00752	0.7
135.04440	1.1
143.04938	2.1
147.00748	0.8
147.04408	1.5
148.01581	1.1
149.02379	1.0
151.00191	0.6
155.04941	1.1
155.06139	0.6
157.02859	1.3
159.04402	1.8
161.99507	4.8
163.00237	2.1
163.03946	0.7
169.02803	0.7
171.03069	0.7
171.04431	7.8
173.02362	0.6
173.05997	1.0
173.52318	0.5
175.03870	0.9
182.03622	0.6
183.04420	2.6
185.02299	0.5
185.94962	0.4
187.03940	4.0
189.99084	0.9
197.02440	0.7
198.03107	1.2
199.03932	10.5
201.01862	0.5
201.05518	1.0
203.03433	0.5
211.03876	1.4
212.04660	0.8
213.05373	0.5
213.09047	2.2
214.02667	0.6
215.03435	6.2
221.19139	0.4
225.01872	1.4
226.02658	0.9
227.03447	14.0
228.03900	1.2
241.08609	2.3
243.02986	14.2
244.03348	0.6
253.01399	1.9
254.02080	0.6
255.02979	13.2
256.03503	0.7
270.01645	1.3
271.02475	31.2
272.02789	1.9
281.00943	1.3
282.01532	2.1
285.07581	1.0
296.03302	2.6
297.00342	0.6
298.01111	0.9
299.01956	52.1
300.02383	4.5
313.03455	0.8
314.04312	100.0
315.04691	8.6
329.06653	81.0
329.09647	2.7
329.13498	1.2
329.17355	0.6
329.22455	1.4
330.06961	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.02158	0.9
56.05323	0.9
57.03312	1.9
58.00447	0.9
59.01252	2.7
65.00191	0.9
69.03323	1.4
71.01263	2.5
73.02813	4.9
81.05101	0.9
83.04892	0.9
85.02811	3.5
97.06469	3.4
98.03634	1.6
98.19682	1.6
99.08032	2.5
112.05177	1.8
115.07517	3.9
125.09632	1.5
127.07522	4.2
127.11151	2.3
129.09111	26.1
130.09425	1.1
137.09602	1.5
141.09090	12.4
141.12730	1.7
155.10683	22.1
156.11075	1.4
163.11212	1.0
171.10190	25.7
172.10474	1.1
173.08075	1.3
177.12733	1.1
181.12186	1.1
183.13889	1.6
185.11758	42.1
186.12131	1.5
197.09975	1.7
197.11771	32.7
198.12157	2.0
201.11218	2.0
209.11755	5.5
211.13264	4.7
226.02649	1.3
229.14447	2.7
239.12827	1.0
247.20749	1.5
254.02153	2.2
269.04422	1.7
291.19690	14.1
297.04016	11.3
298.04141	1.2
309.20728	26.8
310.21100	2.9
312.02707	1.3
312.06274	1.4
313.03549	2.5
327.01447	2.5
327.05023	2.3
327.08740	7.3
327.21768	100.0
328.05951	1.6
328.22058	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23180	0.6
69.20560	5.9
69.20968	1.3
79.83791	0.5
82.70454	0.7
103.28666	0.6
132.75523	0.6
137.47128	0.7
143.04909	0.6
155.04892	0.7
159.04506	0.8
160.85370	0.6
171.04431	1.3
183.04417	1.5
185.02348	1.2
187.03970	2.9
198.03157	0.6
199.03995	3.3
201.01831	1.3
203.03473	0.7
211.03932	0.9
215.03395	2.1
217.38962	0.7
227.03453	7.3
229.01306	1.5
231.02974	0.8
243.02939	4.7
253.01158	0.7
255.02985	3.7
257.00909	1.0
270.01730	1.0
271.02493	37.5
272.02716	3.8
283.02579	3.0
299.01978	71.2
300.02344	6.4
314.04343	26.2
315.04630	2.3
329.06668	100.0
330.06992	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79020	0.4
55.30548	0.4
59.01254	0.4
65.00227	0.4
116.44804	0.4
135.00768	1.2
135.46484	0.4
138.15515	0.4
149.02341	2.7
151.00252	1.3
157.02881	0.4
158.03564	0.5
161.02309	0.6
163.00235	0.7
163.41528	0.5
171.04378	0.8
172.05190	1.1
173.02319	0.6
174.03093	0.6
183.04495	0.5
185.02298	0.7
186.03273	0.6
187.03903	0.7
199.03894	3.4
200.04675	1.5
201.01849	0.7
202.02669	0.4
203.03389	0.6
213.05498	0.9
215.03416	1.1
227.03401	3.1
228.04025	1.0
229.08713	5.0
231.02884	0.6
243.02968	5.0
254.47412	0.4
255.03043	0.6
257.08209	3.2
258.08591	0.5
271.02472	100.0
272.02820	7.1
283.02765	0.5
285.07684	11.5
286.07956	1.0
296.03351	0.6
299.01965	89.3
300.02328	7.2
314.04303	18.0
314.07980	0.9
315.04651	1.6
329.06662	87.0
330.06985	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
60.66942	0.4
76.93616	0.4
79.64997	0.5
124.01553	0.7
133.02803	0.6
143.04968	0.5
147.15660	0.4
148.14796	0.4
151.00233	1.4
163.00278	0.5
171.04398	1.6
174.89992	0.4
176.00986	0.5
176.35605	0.4
177.01836	0.7
183.04404	1.5
187.03938	3.1
198.03072	0.6
199.04002	3.6
200.04442	0.6
201.01846	2.0
211.03941	0.8
211.86331	0.4
213.01756	0.5
214.02643	0.9
215.03448	4.1
224.04860	0.7
226.02614	0.9
227.03464	7.8
228.03676	0.8
229.01268	0.7
230.02042	0.4
237.02002	0.7
240.04311	0.8
241.04892	0.7
241.08647	0.6
242.02283	0.9
242.05933	0.5
243.02969	25.8
244.03258	1.5
253.01505	0.7
255.02992	2.3
267.02917	0.7
268.03821	2.1
269.04425	0.4
270.01648	0.6
271.02493	56.3
272.02814	3.8
281.00885	0.9
283.02472	0.5
285.04050	4.4
285.07401	0.8
286.04489	1.0
296.03333	1.5
297.04007	0.8
299.01978	91.7
300.02310	6.4
311.13077	0.6
313.03558	7.4
314.04324	54.1
315.04642	4.3
329.06674	100.0
330.06995	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	329.0668
Annotation	LMPK12111308
Peak:m/z	Relative Intensity
52.08956	0.9
52.49395	0.8
59.01248	6.2
65.00199	4.1
70.47351	0.9
85.02823	1.5
95.01287	2.0
107.01260	1.4
111.00739	1.0
121.02821	1.8
123.00742	1.2
124.01588	1.3
135.04387	1.2
136.98676	6.1
145.02820	1.8
146.03618	3.1
147.00792	1.1
148.05202	1.0
151.00244	3.5
159.04489	1.7
171.04413	2.0
172.05310	1.1
173.02246	1.1
173.05995	1.4
174.03154	1.9
177.01808	2.1
183.04416	2.5
185.02318	2.1
185.05934	1.2
186.03156	0.8
186.06689	1.4
187.03955	4.1
188.04689	1.8
192.00584	2.1
196.01541	1.1
197.02356	0.9
197.06084	1.7
198.03091	2.2
199.03912	5.7
200.04735	2.2
201.01903	3.1
201.05542	1.5
202.02548	2.0
203.03362	2.6
203.07162	2.2
204.03752	1.1
210.03258	1.1
211.03979	4.4
212.04425	1.0
213.01785	2.6
213.05405	1.0
213.09181	1.0
214.02606	2.8
214.06171	0.9
215.03279	3.7
215.06937	1.1
225.01884	1.4
226.02638	3.2
226.06157	1.5
227.03404	14.8
228.00652	1.1
228.03885	1.6
229.01344	1.8
229.08687	1.7
230.02040	1.8
231.06537	2.5
240.00473	1.0
241.01389	1.4
241.05016	1.8
241.08665	1.7
242.02187	2.7
242.05739	1.6
243.02853	12.5
253.01378	2.1
254.02057	1.3
255.02972	13.9
256.03458	2.4
257.00876	1.5
257.08002	1.2
258.01791	1.8
267.02951	1.0
267.13907	1.1
267.57025	1.0
268.03455	1.1
269.04480	3.0
270.01599	3.2
270.05194	4.8
271.02432	40.8
272.02884	1.4
281.00824	1.6
283.02463	2.9
284.03091	1.2
285.04007	6.8
285.07669	7.1
285.14969	1.8
286.01407	1.9
286.04523	8.3
286.07687	1.5
295.02347	1.4
296.03217	1.8
297.00656	1.8
297.03931	1.7
298.00851	1.2
298.04535	1.3
299.01959	69.6
300.02499	4.1
300.05673	1.0
301.03586	1.7
301.07156	3.1
311.16553	2.9
313.03522	10.1
314.04129	43.6
315.04410	3.6
328.05475	2.7
329.03107	6.4
329.06616	100.0
329.14081	4.9
329.17477	8.4
329.23187	2.6
330.03470	1.4
330.06921	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.92030	0.3
53.04036	0.4
57.03318	1.4
58.00459	1.4
58.64161	0.4
59.01250	3.6
65.00174	0.4
69.03323	0.6
70.62853	1.2
71.01246	0.5
83.04900	0.5
85.02831	0.6
86.95827	0.4
87.04349	0.7
97.06470	1.8
109.06448	0.8
111.08044	6.9
117.08435	0.4
127.07534	1.4
137.09683	0.7
141.09145	0.4
153.12737	1.3
169.12253	5.1
171.10133	2.3
172.79671	0.4
179.10635	0.4
181.12241	2.0
193.12221	0.8
195.13945	0.6
197.11766	40.3
198.03120	0.4
198.12068	2.2
199.13344	6.7
209.11615	0.5
211.13341	5.8
221.11842	0.5
227.12782	0.7
229.14413	1.3
239.12869	0.6
239.16528	5.6
240.16882	0.5
263.20273	0.6
269.04532	1.2
284.26947	0.4
291.19650	3.5
297.04062	3.0
300.90356	0.5
309.20731	3.1
312.06351	1.1
313.03473	1.1
327.08890	2.9
327.21762	100.0
328.05829	0.4
328.22122	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61784	0.7
69.48937	5.5
69.49258	1.4
80.20362	0.7
91.01808	0.9
135.00745	2.5
141.43977	0.9
158.03662	0.8
171.20198	0.6
175.00166	0.9
182.03598	2.4
185.02362	1.6
192.67355	0.8
198.03163	3.3
209.02325	0.7
210.03166	6.4
211.03879	0.8
226.02715	3.6
237.01839	1.8
238.02699	4.7
239.03493	1.5
251.03204	0.8
253.01436	1.8
253.05165	0.8
254.02164	20.5
255.02631	1.3
265.01331	1.4
266.02109	2.3
267.02933	4.6
268.03641	0.9
269.04547	18.2
270.04868	1.4
281.01099	1.5
281.04477	3.0
282.01819	1.3
283.06125	1.8
296.03180	1.3
297.04044	100.0
298.04395	8.3
311.05576	5.1
312.06372	17.9
313.07022	1.0
327.08731	78.4
328.09100	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.42599	0.4
57.03316	0.7
58.00470	1.1
59.01237	0.8
64.47829	0.4
70.35290	0.4
71.01244	1.0
73.02817	0.6
82.16414	0.5
85.02826	1.6
93.97858	0.5
97.06476	1.9
105.40381	0.4
115.07539	1.4
127.07472	0.6
137.09718	0.8
153.12740	1.7
155.14337	4.4
167.14299	0.9
171.10117	3.4
183.13847	6.1
196.47855	0.4
197.11752	1.2
199.13348	6.9
210.03131	0.7
211.13344	5.8
216.42267	0.5
227.12851	3.3
229.14412	100.0
230.14703	6.0
254.02174	0.9
255.02962	0.6
267.10782	0.5
269.04694	1.0
291.19632	2.1
297.04031	5.9
298.04291	1.0
309.20712	7.6
310.21130	0.6
312.03006	0.8
312.06400	1.5
313.03525	0.7
327.01465	0.9
327.05164	0.8
327.08704	4.7
327.12125	0.8
327.21790	13.3
328.05746	0.7
328.22241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03318	1.2
69.03341	1.6
69.43414	4.5
69.43832	2.0
77.27445	0.8
84.95889	0.7
85.02818	8.2
95.04910	1.2
97.02850	1.0
97.06464	3.1
98.32584	0.8
125.09605	1.4
127.11176	2.0
137.09604	1.2
149.31108	0.9
153.06372	0.8
167.14343	1.0
171.10172	16.2
177.12727	1.4
183.13837	3.5
203.10634	0.9
209.11855	1.0
211.13327	16.1
212.13692	0.8
221.11806	2.2
229.14409	10.9
234.86945	0.7
277.00955	0.8
291.19788	3.1
305.51556	1.0
309.20624	1.0
327.21759	100.0
328.22049	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06215	0.3
57.03314	1.3
57.09578	0.3
58.00467	2.1
59.01255	4.1
69.03325	0.8
71.01254	0.8
71.04874	0.3
73.02811	0.5
83.04878	0.3
84.02068	0.3
85.02820	1.6
87.04401	0.5
95.04955	0.3
97.06474	2.4
102.53080	0.3
108.01962	0.3
109.06487	0.6
111.08039	7.8
114.91954	0.3
125.09632	0.6
127.07552	0.8
136.98750	0.3
137.09612	1.1
141.09181	0.4
146.91391	0.3
151.11185	0.5
153.09195	0.4
153.12749	1.4
155.10617	0.3
155.14302	0.4
159.34331	0.3
165.12787	0.3
169.12248	5.1
171.10182	5.0
177.01782	0.5
179.10590	0.4
181.12253	1.8
183.13820	1.0
185.11746	0.8
193.12317	0.5
195.13757	0.4
197.11769	41.6
198.12083	2.1
199.13335	6.4
201.11237	0.6
209.11821	0.5
211.13359	6.7
221.11864	0.6
221.15315	0.4
226.02623	0.4
227.12781	1.1
229.14345	1.7
239.12834	0.6
239.16501	4.1
242.44159	0.3
244.12181	0.3
247.20697	0.4
254.02208	0.8
255.02853	0.3
263.20276	0.7
269.04553	0.9
282.07455	0.3
291.19672	3.9
297.03995	4.6
297.09369	0.6
298.04459	0.7
309.20718	3.2
312.02817	0.4
312.06381	0.8
313.03601	1.1
327.21762	100.0
328.05746	0.6
328.08936	0.5
328.22131	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49850	1.2
55.01757	3.9
57.03322	9.3
59.01255	19.2
66.25565	1.3
67.74279	1.2
68.94456	1.5
69.03336	2.8
69.72208	5.3
69.72611	2.3
71.01247	15.5
71.04892	22.4
72.99181	1.2
73.02821	9.6
83.01249	3.6
83.04871	3.5
85.02821	9.4
86.02155	1.4
89.02318	4.0
95.04910	3.1
96.95972	1.2
97.02834	5.4
97.06467	14.2
99.00760	26.4
101.02325	23.9
109.06464	4.2
110.28889	1.1
113.02338	5.0
121.02792	1.3
123.08042	7.4
125.09609	54.5
126.09991	2.3
127.11205	1.6
135.08038	1.9
137.09581	1.3
142.02585	2.5
145.02896	1.9
153.12715	3.3
159.02832	1.6
161.04459	4.1
161.09610	1.7
163.03906	1.9
163.11194	23.7
166.02386	1.7
171.10088	3.2
175.00211	3.5
175.03949	1.8
177.01857	2.9
181.12262	66.7
182.12614	2.0
183.01094	3.2
190.02592	2.7
193.07112	46.1
194.07382	1.7
197.11757	3.3
199.13332	49.3
200.13631	2.2
205.01346	13.5
207.02895	2.6
207.10191	35.8
208.10501	1.8
209.11757	4.4
215.12878	1.5
220.03722	3.7
225.11278	100.0
226.11597	3.9
233.00873	24.4
235.06123	3.5
243.12354	61.0
244.12596	2.2
248.03230	8.8
263.05594	8.8
289.18140	2.4
307.19321	7.2
325.05603	6.0
325.11407	28.1
325.20447	33.4
325.23898	9.0
326.11893	1.7
326.20547	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65660	1.5
57.00954	1.3
57.03325	9.5
58.00445	1.7
59.01249	8.0
69.03321	3.6
71.01260	6.2
71.03431	2.8
71.04888	7.5
73.02811	1.6
80.02551	2.5
81.03334	1.6
83.04905	5.1
85.02834	3.1
85.06447	2.1
87.04387	2.9
91.05408	1.6
95.04909	2.2
97.02840	4.0
97.06473	7.5
100.35400	1.4
107.04913	1.9
109.06468	26.4
111.08070	8.0
111.08741	1.4
123.08041	3.5
125.06004	3.2
125.09605	8.3
127.07545	3.3
127.11176	3.1
137.09624	2.5
141.09131	1.7
151.11177	1.9
153.09102	3.0
155.10641	1.9
167.10577	2.6
169.12236	7.0
171.10231	5.2
181.12230	3.8
183.13853	3.3
193.07132	5.0
193.12250	2.9
195.10275	1.6
195.13834	2.2
197.09967	3.0
197.11766	47.7
198.12131	1.4
199.09656	2.6
199.13354	5.5
201.11267	28.6
202.11539	1.8
205.01382	2.8
209.11882	1.7
211.13345	31.7
212.13741	1.9
213.11311	13.9
218.26340	1.5
219.13850	1.8
227.07214	1.8
227.12766	2.7
233.00862	5.5
235.13376	4.2
237.14914	27.3
238.15300	1.7
245.19159	2.2
248.03253	2.1
249.14954	4.9
263.88492	1.5
289.18106	24.9
290.18536	2.7
307.19150	16.7
325.11673	4.3
325.20190	100.0
326.20581	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72092	1.4
53.66312	1.8
55.01744	1.5
56.73820	1.5
57.03330	11.6
59.01255	10.1
65.70206	1.7
69.03322	4.8
70.91433	1.7
71.01247	8.3
71.04888	9.7
71.12134	3.8
73.02810	4.2
80.02541	2.2
81.03310	1.6
83.04903	7.4
84.02055	2.2
85.02827	3.1
85.06467	5.0
87.04378	2.5
91.05407	1.7
95.04904	3.6
97.02831	8.1
97.06462	7.4
101.02332	5.5
106.25230	1.7
107.04904	3.6
109.06481	41.3
109.07185	3.2
111.08063	2.6
122.90059	1.7
123.08067	2.8
125.06003	2.0
125.09770	1.7
127.07550	4.0
135.75117	1.5
137.09625	1.8
137.38240	1.5
140.69421	1.7
166.19257	1.6
167.10687	1.8
169.12297	9.8
171.10146	3.2
181.12280	5.4
183.10228	2.7
183.13847	3.2
185.11778	2.6
187.09648	2.2
193.07158	10.9
193.12373	1.8
197.11781	69.7
198.11935	3.5
199.13306	6.4
205.01350	4.4
207.10190	1.8
209.11765	4.5
211.13365	34.7
212.13821	2.2
213.11197	2.5
219.13966	2.0
221.03925	2.0
223.13412	2.3
225.14969	3.2
227.12936	4.2
233.00859	6.0
235.13341	6.1
237.14992	6.1
245.19040	2.1
248.03328	2.6
249.14969	3.9
263.05377	2.0
268.99112	1.8
288.70892	1.6
289.18091	4.7
293.67444	2.1
307.19098	4.3
325.11417	6.5
325.20221	100.0
326.20535	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	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01252	2.0
60.99208	0.5
69.40195	4.2
70.73557	0.4
71.01248	1.6
73.02824	1.1
87.13794	0.5
88.91141	0.5
101.02331	2.2
119.04919	100.0
120.05249	3.6
121.02781	0.6
145.02817	1.0
151.03899	0.5
163.03922	69.8
164.04298	3.1
193.07124	3.2
269.39655	0.5
278.80093	0.4
283.99530	0.5
298.48447	0.6
325.11411	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.114
Annotation	Robinobiose
Peak:m/z	Relative Intensity
51.14495	2.5
54.54498	2.1
55.01745	6.8
57.03310	8.2
57.07699	1.9
58.00448	2.4
59.01252	60.2
70.03098	8.7
70.03433	2.5
71.01254	48.7
72.01591	2.4
72.99181	2.7
73.02820	31.8
75.00733	3.3
83.01264	13.4
85.02820	30.6
87.00756	4.7
89.02321	7.1
93.95354	2.0
94.54572	2.1
95.01263	3.0
99.00755	13.1
99.04401	2.7
101.02319	61.9
111.00806	2.5
113.02340	22.8
129.01828	2.9
131.03403	3.1
155.70628	2.1
159.02890	3.3
161.04463	11.7
175.06201	2.1
181.07083	6.8
193.07100	100.0
194.07391	4.8
228.33467	2.3
288.20728	2.1
325.11356	54.6
326.11755	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37611	1.8
50.51064	1.8
52.50383	1.8
52.50998	2.0
57.03327	7.5
59.01247	4.5
69.43780	12.2
71.01252	6.4
71.04900	2.9
72.02075	2.3
73.02837	2.8
80.02583	2.8
81.03329	2.5
83.04890	7.8
84.02071	4.1
85.02801	2.1
95.04889	2.8
97.06465	6.9
99.08038	4.8
109.06503	5.7
112.05210	2.7
113.02375	2.3
115.07520	3.5
123.08065	4.2
125.09666	9.6
125.34109	2.0
127.07523	19.0
135.08041	5.9
139.07532	3.6
153.09120	21.3
155.10669	4.4
163.11189	2.5
165.12784	5.1
171.10202	21.3
185.11763	20.7
191.10709	2.7
193.07155	4.6
197.11745	17.1
205.01312	2.4
209.11768	83.9
210.12129	4.0
226.33269	2.2
233.00916	5.0
237.14932	16.6
238.12112	6.4
245.19084	4.2
249.14920	2.1
256.12988	3.4
279.19754	2.5
289.18069	19.3
307.19147	100.0
308.19604	10.8
325.20206	54.5
326.20587	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03312	2.7
59.01258	10.4
68.07016	1.0
68.65785	1.0
69.03326	1.7
69.82452	5.3
71.01240	5.3
71.04884	7.4
72.89416	0.9
73.02811	1.1
81.03309	1.5
81.57455	0.8
83.04900	2.4
85.02808	2.2
85.06432	1.0
87.00759	1.0
89.02305	2.1
97.06462	3.0
98.20532	1.7
100.07131	0.9
101.02319	2.8
111.04454	1.1
111.08054	1.3
113.02321	3.2
119.08561	2.8
121.10120	16.8
123.08064	1.3
124.75650	1.0
125.06016	1.0
125.09599	10.8
135.08124	1.2
137.09634	16.2
141.12730	1.3
147.08034	1.4
148.08868	1.1
149.09671	6.4
151.11172	1.5
158.06743	0.9
159.08009	1.2
161.12679	0.9
163.11169	2.1
165.12772	1.9
171.08746	1.6
171.10179	21.3
172.10573	1.7
177.12776	1.6
185.11758	15.3
195.13727	1.1
197.11740	3.8
209.11746	2.5
211.13277	2.7
217.15926	2.9
223.13455	2.1
263.20261	1.1
265.18280	1.3
273.16006	1.2
273.18558	6.5
291.19666	100.0
292.20013	7.6
305.17688	1.9
305.21219	36.3
306.21674	2.7
323.09692	2.1
323.22266	72.6
324.22580	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	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	28.5
66.91413	3.5
69.03339	4.6
69.67538	23.5
71.01252	18.8
71.04913	6.5
71.53201	3.9
73.02824	20.8
79.85588	3.6
83.01257	8.1
85.02833	8.2
86.98368	3.2
87.00757	9.6
87.15562	3.9
89.02321	8.0
90.56855	4.1
93.03342	11.8
95.01275	11.9
97.02866	6.1
98.80115	3.9
99.00778	14.8
99.04420	15.4
101.02347	19.3
101.02917	3.5
107.04928	5.6
109.02839	7.6
111.00862	3.9
113.05965	5.0
117.03336	22.6
119.04924	8.9
121.02844	14.6
123.00771	61.5
123.04413	6.1
124.01559	69.3
125.02351	85.6
132.02905	6.0
133.02863	8.1
135.04430	16.6
137.02353	100.0
145.02859	58.8
149.02338	10.6
151.03915	32.8
161.02342	44.5
162.03056	4.0
163.00304	3.8
163.03923	65.3
164.01060	9.1
165.01846	16.7
173.04518	4.2
176.04681	8.6
177.01865	23.1
177.05458	4.6
179.03432	17.9
180.04286	5.8
181.04993	61.6
185.00380	3.6
189.01831	24.2
191.05544	8.5
191.07132	9.7
193.05252	5.5
193.07103	38.6
195.02899	8.8
195.06589	8.6
207.02927	37.4
235.06052	4.0
238.93575	4.2
297.06201	12.6
315.07050	4.1
325.05588	15.8
325.11282	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.5
57.03318	6.0
59.01255	17.2
61.45043	1.6
67.32135	1.7
69.24393	13.3
71.01255	3.8
71.04894	28.4
81.03332	4.2
83.04929	4.6
85.02831	4.5
95.01241	1.8
95.04899	45.8
97.02817	2.1
97.06458	11.9
107.04947	3.0
109.06483	28.3
113.02319	3.2
117.01875	2.2
123.08054	2.7
125.09636	4.8
127.11166	2.2
135.08055	12.2
141.28415	1.6
147.04477	1.9
151.07582	10.8
151.11186	6.3
160.74171	1.7
161.04495	2.0
163.11200	1.9
165.12750	2.6
171.10187	100.0
172.10541	3.6
177.12747	3.3
189.12799	10.7
193.12288	2.7
196.05136	3.4
199.13251	1.8
207.10176	2.4
209.11800	9.8
223.13383	9.1
225.09169	3.1
233.11754	13.8
239.12852	1.8
249.14920	24.7
250.15350	3.5
263.16461	4.5
265.14441	2.8
273.92993	2.0
287.16495	5.6
305.17584	22.2
305.75159	1.9
323.19196	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03334	10.9
59.01251	16.4
71.01266	5.8
71.04895	27.2
80.02564	1.6
81.03335	4.5
83.04893	4.3
85.02802	2.2
89.02315	3.7
92.91862	1.5
93.03326	3.0
95.04319	3.1
95.04906	50.1
97.02838	2.3
97.06478	10.3
98.20547	5.8
100.68931	1.8
101.02376	2.2
103.41073	1.7
107.04916	2.5
109.05740	1.7
109.06487	34.2
110.06809	1.5
113.02316	3.3
119.04926	1.8
121.06414	2.1
123.08056	2.6
125.09615	7.0
127.11172	2.6
133.06528	2.7
135.08061	13.7
143.01344	1.6
149.09535	1.8
151.07529	9.9
151.11209	7.1
155.21390	1.7
161.04524	2.2
163.11227	2.3
171.10191	100.0
172.10551	4.3
177.12758	3.9
179.14351	1.9
185.11731	4.8
189.12833	10.8
196.05318	3.7
209.11804	9.7
211.13449	2.1
223.13336	16.1
225.09172	3.2
233.11836	11.3
249.14941	25.1
250.15182	1.8
263.16534	6.8
265.14444	4.9
277.18298	2.0
287.16467	7.9
288.17172	2.0
305.17612	23.3
306.17889	2.8
320.25116	1.7
323.05692	1.6
323.18878	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01749	3.2
57.03322	10.2
58.69806	2.0
59.01250	10.4
69.03327	4.8
71.01246	4.3
71.04887	12.7
81.03343	7.1
83.01261	15.0
83.04903	9.9
84.02052	3.1
85.02811	3.2
93.03342	5.4
95.04901	27.1
97.02852	5.4
97.06464	17.4
99.04401	4.1
107.04897	2.8
109.02785	2.2
109.06472	6.4
110.84663	2.1
111.04429	3.1
111.28492	2.1
113.06001	3.3
119.04881	2.2
120.05728	2.8
123.04417	4.8
123.08054	7.4
125.09622	22.9
135.08069	14.4
149.09595	2.7
151.11201	2.8
153.09131	2.7
158.93091	2.0
163.11194	10.0
165.12744	5.5
167.10660	3.4
177.09142	2.3
177.12779	3.0
179.10783	3.6
181.12206	4.0
185.11719	25.3
189.12735	5.9
191.10721	9.5
191.14151	2.1
203.10811	3.7
203.14343	7.3
207.10202	3.2
209.11775	100.0
210.12132	5.2
211.13446	5.3
221.11769	3.3
223.13443	2.6
225.11392	2.8
235.13347	2.6
237.14914	34.0
238.15228	3.0
243.17555	5.3
247.13332	6.8
249.14986	3.4
265.14438	19.8
287.16553	19.1
305.17569	27.1
310.96323	2.3
314.39014	3.1
323.18637	37.0
324.19067	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01006	1.2
52.45767	1.4
57.03339	1.7
58.00467	1.5
58.73705	1.4
59.00952	2.9
59.01249	59.7
66.66209	1.2
69.44589	8.4
71.01251	34.0
72.99178	2.9
73.02805	2.1
83.01233	1.9
85.02827	6.8
89.01758	2.1
89.02314	38.8
93.80230	1.1
96.64111	1.2
98.04905	1.2
101.02327	24.3
113.02332	15.6
118.59353	1.1
119.03387	27.5
131.03412	1.8
143.03416	2.6
149.04445	2.1
161.04492	2.3
179.05455	3.1
196.84447	1.3
228.26874	1.7
323.13458	100.0
324.13779	7.2
345.06314	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	323.1866
Annotation	Hynapene A
Peak:m/z	Relative Intensity
56.12129	1.4
57.03324	14.0
59.01255	13.6
67.02427	1.3
70.73163	2.3
70.73505	3.4
71.01250	5.2
71.04875	1.4
73.02815	2.0
76.32335	1.4
80.02550	2.6
81.03322	4.0
83.04893	2.9
85.02810	1.7
89.02291	1.2
95.04903	46.9
95.05513	2.5
96.05236	2.2
97.06454	11.1
106.42171	1.3
107.04889	1.7
109.06478	13.2
113.02335	3.4
119.04942	3.0
121.06501	1.4
123.04337	1.4
123.08060	4.1
125.05972	5.1
125.08743	1.9
125.09622	24.8
135.08060	28.9
137.09570	1.7
147.04398	1.8
161.04478	2.0
161.19597	1.6
163.11194	9.0
165.14581	1.6
168.05670	2.7
179.14349	9.3
183.10298	2.5
185.11749	15.3
195.04437	2.3
196.05237	23.5
197.05975	1.8
197.11871	2.6
207.10147	9.2
209.11745	8.2
210.06874	2.3
211.13286	2.9
223.13351	100.0
224.13683	6.8
225.09192	34.2
226.09760	5.4
235.13396	1.8
247.13445	2.6
251.14297	3.7
263.16495	3.3
265.11795	2.5
265.14459	41.1
266.14832	3.0
287.16507	6.8
305.17612	26.4
306.17960	2.7
323.15848	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89413	2.8
55.01752	4.4
57.03332	7.1
59.01254	31.0
59.81445	2.4
69.03345	3.2
69.98521	10.9
71.01255	11.7
71.04894	18.0
73.02824	4.4
80.02579	6.2
81.03343	10.9
83.01254	16.4
83.04896	15.7
84.02057	4.4
85.02838	10.0
93.03355	4.3
95.04903	50.5
97.02855	8.3
97.06469	23.3
99.04395	8.6
101.02370	3.3
107.04939	3.2
108.02090	3.7
109.02876	4.6
109.06480	12.0
111.04417	5.6
113.02316	7.2
113.05965	18.7
120.05679	3.5
121.02838	4.4
121.06524	4.3
123.04440	11.0
123.08076	13.1
125.05920	4.5
125.09618	30.6
127.70903	2.6
132.64366	2.4
133.06544	7.4
135.08040	20.7
137.05969	2.8
147.04401	3.0
149.09659	4.8
151.07587	16.2
153.09134	5.8
161.04468	4.1
163.11208	8.3
171.10184	27.9
175.03969	2.5
177.12794	5.4
179.10727	2.9
185.11765	26.3
186.12233	2.9
191.10730	6.4
191.14395	3.4
195.10098	2.8
203.14369	9.9
209.11771	84.7
210.12137	3.8
211.13329	4.7
219.10373	2.8
221.11765	2.9
221.15477	5.0
223.13326	6.8
231.14021	3.1
237.14977	8.5
239.13020	2.9
243.17587	8.5
247.13477	9.4
249.14990	8.6
265.14450	36.7
287.16510	14.3
288.16849	3.2
305.17593	34.5
305.20886	4.9
323.10040	5.1
323.18677	100.0
323.22034	5.2
324.19122	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	323.1138
Annotation	Methyl picrotoxate
Peak:m/z	Relative Intensity
57.03313	3.1
59.01256	7.5
67.01746	1.4
69.03326	27.1
71.01241	4.1
71.53512	0.8
75.00751	0.9
75.30865	0.7
81.03336	1.3
83.04890	4.0
85.02822	7.3
85.06461	12.4
87.00756	2.7
87.04407	1.6
89.02306	1.2
91.05374	0.9
93.03330	2.3
93.06974	1.0
95.01283	2.2
95.04894	7.5
97.06468	19.8
98.06798	1.0
99.00800	0.9
100.00997	0.8
100.09325	0.7
101.02339	1.5
103.50058	0.7
107.04904	3.9
108.02028	1.3
109.02864	0.9
109.06472	3.3
111.08073	1.3
113.02334	2.1
113.05978	1.2
119.04913	2.3
121.02862	2.1
121.06476	9.5
122.03617	2.3
123.04403	1.4
123.08032	1.6
125.05972	1.7
129.07037	1.2
131.04912	3.0
133.02844	1.2
134.03598	1.4
134.07318	0.9
135.04449	1.8
135.08040	3.1
136.05186	2.8
137.06006	4.2
139.07553	5.6
143.07036	2.4
144.05681	1.1
145.02863	1.0
145.06415	1.2
147.04413	6.4
147.08101	4.1
148.04819	2.3
149.05014	1.3
149.05995	19.5
149.09602	4.9
150.06763	6.4
151.07564	1.1
158.07213	0.9
159.04378	0.9
161.04550	1.1
161.06015	1.5
161.09604	3.5
163.03908	2.6
163.07584	1.3
165.09068	4.9
166.06349	1.0
167.07036	1.4
169.04974	0.9
173.04497	1.0
173.05937	1.3
173.09645	9.7
173.13252	1.7
174.06789	1.7
174.10114	1.0
175.03906	1.6
175.11209	5.7
176.08325	5.2
177.09142	4.8
179.10680	0.9
182.79782	0.8
188.08311	1.5
189.09050	1.6
189.12773	3.1
191.07040	2.1
191.10706	38.7
192.11084	2.1
193.05005	0.8
193.08659	0.8
194.09348	3.8
197.09668	1.2
199.11227	7.6
202.09956	0.9
209.08167	0.9
215.10768	1.0
217.12285	38.4
218.12704	2.7
219.10011	0.9
233.11681	1.2
235.09750	12.2
235.13344	11.7
236.13840	0.9
240.67743	0.9
243.10338	1.4
261.11322	25.0
262.11758	1.5
279.12369	35.7
280.12674	1.8
305.10345	4.3
323.11368	100.0
324.11679	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03320	1.9
58.00463	3.0
59.01250	100.0
60.01591	1.6
62.91272	1.2
69.44630	9.8
71.01252	43.2
72.99194	1.5
73.02834	1.2
83.01264	1.7
83.54543	1.1
85.02816	10.0
87.00749	2.0
89.02317	48.6
95.01254	3.3
97.72829	1.2
98.20508	2.5
98.86074	1.2
101.02322	31.2
101.60789	1.2
106.42360	1.2
110.51751	1.1
112.96609	1.3
113.02328	18.6
119.03382	24.7
131.03438	1.4
143.03397	3.0
143.07030	1.7
156.92375	1.4
161.04459	3.1
161.08156	1.4
171.89621	1.3
174.18097	1.5
179.05507	5.0
213.93730	1.2
260.57404	1.2
284.10361	1.2
302.28946	1.3
323.13458	98.8
324.13840	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	323.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.2
65.00199	2.0
65.03835	1.1
68.99681	3.5
69.56094	6.3
71.01262	1.6
79.05411	1.0
87.00752	1.0
91.05415	3.8
93.03333	3.1
95.04922	1.7
102.04652	2.9
103.05420	21.0
103.06112	1.1
105.03374	4.3
105.07004	1.5
107.04901	2.5
107.22173	0.9
108.02138	1.2
109.02842	2.3
119.04922	19.6
121.02853	18.5
129.03377	1.8
130.04150	6.1
131.04929	56.5
132.02075	3.6
132.05304	2.0
133.02858	2.5
135.00792	4.0
136.01567	14.0
145.02831	1.5
146.03648	5.1
147.04427	62.2
148.05061	4.0
149.02364	1.6
149.05974	2.5
161.04509	0.9
163.03818	1.3
163.07565	0.9
166.02621	1.3
167.03433	1.3
173.02370	1.6
174.03116	1.7
175.03934	81.1
176.04292	5.6
177.05573	1.6
191.03444	4.2
191.10789	1.1
192.04216	2.2
207.06580	21.4
208.06956	1.3
219.02951	20.4
220.03410	1.7
227.03488	1.5
235.06131	2.6
237.04021	67.5
238.04398	2.1
247.02422	5.2
248.02718	0.9
251.05603	100.0
252.05931	6.2
268.82169	0.9
269.04651	1.4
276.62476	0.9
279.05112	31.1
280.05386	2.8
284.03259	1.3
323.04007	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	323.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46389	0.7
56.99810	0.6
59.01242	4.6
69.03330	1.4
69.38194	5.2
71.01247	1.9
72.99187	1.6
73.83640	0.6
75.00729	1.2
85.02824	1.8
85.57078	0.7
87.00743	2.1
89.02331	0.8
91.01815	0.8
97.06479	1.5
113.02388	0.7
115.05441	0.7
117.03246	0.8
119.04897	6.4
124.01531	0.6
130.04149	2.5
131.04944	6.2
133.02844	2.1
137.06033	0.9
141.03281	0.9
145.02884	0.8
146.03630	2.3
147.04430	21.3
148.04973	0.9
149.05989	1.9
157.02864	3.5
158.03601	3.4
159.04419	19.8
160.01530	0.8
160.05109	0.8
161.02345	8.8
162.02870	1.0
163.03946	1.2
173.02388	1.6
173.05927	1.5
174.03134	18.9
175.03926	45.4
176.04402	1.9
177.05495	14.4
178.02643	0.7
188.01163	0.9
191.03503	0.7
191.07022	0.9
191.10764	1.9
201.01799	1.2
202.02678	16.7
203.03447	100.0
204.03830	6.1
207.06667	0.8
217.05038	19.1
217.12366	1.5
218.05423	1.0
219.03053	1.0
235.06081	7.2
247.02475	23.3
248.02919	1.2
249.06052	0.6
261.03915	0.9
279.05118	11.2
307.06607	0.8
323.11230	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	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18134	2.3
59.01264	15.1
62.92354	2.3
67.01746	2.1
69.03318	7.6
69.78046	2.2
70.49315	2.1
70.76790	4.6
71.01241	14.0
72.99190	12.1
73.02804	2.3
75.00703	2.3
83.01260	4.5
85.02809	6.6
86.30743	2.1
87.00751	16.0
89.02295	6.4
93.03329	14.2
95.00645	2.6
95.01258	3.8
97.06461	2.8
99.00756	27.7
109.02837	2.8
111.00759	4.0
113.02294	6.1
117.03338	9.0
119.04933	21.5
130.04141	5.2
131.04948	14.2
131.05807	2.1
132.05699	3.4
133.02840	6.6
133.06500	6.2
134.03564	2.8
143.04947	7.0
145.02858	6.7
145.06509	16.5
147.03302	4.6
147.04427	65.6
148.04785	2.2
149.05991	16.2
157.02869	3.0
157.06442	4.2
158.03683	4.3
159.04419	20.5
160.01508	2.4
160.05194	6.6
160.25725	2.1
161.02338	7.9
161.04594	2.2
161.05984	9.1
162.03067	2.7
163.03902	2.4
163.07553	6.4
165.09184	2.3
169.06493	11.4
171.04390	5.2
172.05060	2.0
173.05983	15.8
174.03152	14.6
174.85854	2.0
175.03931	53.1
175.07541	5.0
176.04295	3.5
177.05501	21.6
179.03241	2.3
185.02382	2.5
187.03961	2.3
187.07555	35.0
189.05516	30.8
191.07077	14.8
191.10669	5.6
193.04947	4.7
199.07674	3.8
201.05478	24.0
202.02708	12.2
203.03441	100.0
204.03897	4.6
205.04991	16.2
217.05002	23.1
217.12192	4.1
218.05357	3.1
219.06601	20.7
221.04494	25.1
231.06554	5.2
235.06039	9.4
235.09680	5.4
237.04243	2.2
240.06461	2.3
243.06461	2.5
247.02477	29.0
249.06158	14.6
261.03970	3.5
261.07715	2.9
261.11209	4.1
263.05573	30.4
264.05856	5.4
279.05054	14.1
279.08572	6.8
279.12213	4.2
323.07663	28.0
323.11337	8.7
324.07886	2.6
339.23566	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	323.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58591	0.8
56.51908	0.7
59.01251	4.4
59.47434	0.8
62.67511	0.8
67.78691	0.8
71.01247	1.9
73.02795	0.9
85.02788	0.9
87.00752	100.0
88.01102	1.7
90.26007	0.7
93.03333	2.4
97.06517	0.8
109.06451	1.0
113.02333	1.4
121.02837	1.1
122.03640	6.8
123.04521	0.9
124.01565	0.8
125.66505	0.8
130.99762	38.4
134.03629	2.3
136.05164	3.4
137.02333	1.7
143.17603	0.9
145.02856	1.0
147.04410	2.7
148.05147	1.0
149.02299	1.2
149.05948	1.1
154.02536	1.3
159.04358	1.3
160.01628	1.0
161.04416	0.9
163.03854	2.3
164.04686	1.0
165.09160	0.8
170.50528	0.8
173.04456	1.3
173.43687	0.8
175.03906	1.4
177.09215	1.0
191.10706	26.3
192.04086	0.9
193.04990	2.1
195.10132	1.7
196.05231	2.2
208.03651	1.0
217.12392	4.2
218.09415	1.5
219.10251	1.3
225.09167	2.0
233.11842	3.8
245.08171	2.1
249.07793	1.0
251.07098	2.1
251.10677	1.1
254.04291	21.4
255.04816	1.3
261.11322	4.3
263.09293	4.6
264.07651	0.9
265.12097	1.1
284.03299	1.5
305.10190	2.0
323.05627	1.8
323.11313	26.4
323.16437	6.3
324.05472	1.2
324.11676	1.4
324.14920	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	323.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42322	1.0
56.69970	0.7
57.12439	0.7
59.01258	6.4
63.96112	1.4
71.01257	3.3
71.34198	1.9
75.00760	1.0
78.00369	0.7
85.02820	1.5
87.00753	100.0
88.01094	1.8
89.02320	0.9
97.06474	1.6
101.02332	1.0
113.02348	2.4
121.02854	1.2
122.03630	2.5
123.04370	1.0
130.99768	46.8
132.00168	1.1
137.02345	1.3
147.04474	1.8
148.05167	2.4
149.02362	1.0
161.02371	0.8
162.06761	3.7
163.03870	1.0
171.10196	2.0
175.03951	0.9
191.10715	34.2
192.11029	2.8
195.04684	1.0
196.05225	11.0
197.05785	1.2
210.06775	2.0
217.12248	3.4
218.09465	0.9
218.12651	1.1
225.09186	15.0
226.09749	2.6
230.65610	0.9
233.11766	4.0
243.10178	0.9
250.09982	0.9
251.07050	0.9
254.04309	19.9
255.04604	1.7
261.11282	5.3
263.09238	2.9
265.12299	1.3
287.16522	1.2
305.10330	1.4
323.11301	19.5
323.16544	5.1
324.11710	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
51.78877	0.7
52.84595	0.7
57.11835	0.7
59.01265	1.3
69.67149	3.6
71.01288	1.0
78.95782	11.7
84.61134	0.8
98.20533	1.6
119.75088	0.8
155.88847	0.9
191.73161	0.9
195.13873	1.3
200.87003	0.8
207.17567	1.2
223.16992	14.6
224.17674	1.8
233.15498	1.3
233.74448	0.8
249.45688	0.8
251.16521	12.4
252.16985	1.7
256.16867	2.6
267.16031	1.9
284.16364	4.0
303.23306	10.4
304.23758	1.5
321.24423	100.0
322.24738	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
56.16151	0.7
57.03304	1.0
58.00464	2.0
59.01253	38.2
61.64225	0.7
70.54145	0.7
71.01257	21.2
71.53182	0.8
72.99193	2.4
73.02819	1.4
82.45712	0.6
83.01260	1.8
83.79030	0.6
85.02839	4.4
87.00745	5.1
89.02322	18.2
93.03327	0.8
93.05376	0.6
95.01261	1.4
99.00772	0.8
101.02332	13.1
111.08071	0.7
113.02337	7.4
113.09613	29.6
114.09908	1.1
115.38485	0.7
119.03403	6.7
121.02882	1.0
122.03700	1.0
129.01935	0.7
131.03433	0.8
134.03706	0.7
137.02364	0.9
141.09096	6.3
142.09430	0.7
143.10667	2.1
145.02817	0.7
147.04428	1.7
148.05142	1.0
149.06059	1.1
155.10706	4.2
157.42851	0.7
159.10185	68.2
160.10509	2.7
161.02357	1.8
161.04427	1.1
162.03188	1.9
163.03929	1.0
173.04535	0.8
179.05524	0.9
201.11224	2.4
206.02193	1.0
298.62390	0.7
303.08652	0.7
321.15555	100.0
322.15903	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	321.1708
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
54.93978	1.1
57.03316	7.0
59.01245	3.8
66.62561	1.1
69.03313	1.2
71.01266	1.6
71.04893	11.2
71.81487	1.3
73.02808	2.4
80.02544	2.9
81.03340	6.4
83.04893	4.6
93.03349	10.9
95.01283	1.4
95.04903	63.1
96.05202	2.6
97.06470	10.5
107.04921	8.4
109.02776	1.6
109.06474	12.3
111.04406	7.5
111.08046	1.3
111.29493	1.1
115.53761	1.1
121.02842	6.9
121.06441	3.2
122.03629	2.4
123.04405	4.1
123.08063	11.7
125.09615	54.2
126.09951	1.6
130.06972	1.1
133.06474	2.3
135.04417	5.8
135.08046	2.0
136.05177	4.5
137.05995	2.5
137.09581	1.2
149.05928	8.4
151.07555	100.0
152.07861	3.0
161.09581	2.7
163.11153	1.6
167.06995	4.0
167.10661	2.4
169.08641	2.2
171.10207	10.2
177.01930	2.0
177.12685	1.7
178.06311	2.9
179.10640	1.1
185.11765	16.5
187.09691	1.4
201.12813	1.3
203.03380	1.2
205.12262	4.9
217.42458	1.2
218.05721	1.4
219.13824	4.7
221.11746	4.7
223.09718	2.0
223.13394	8.6
233.07970	2.2
235.13341	4.0
237.11153	3.3
237.14813	1.8
245.11659	2.6
247.13252	3.1
249.11313	2.0
263.12933	6.0
265.11749	2.0
265.14435	29.4
266.14850	1.7
275.16449	1.7
277.07135	2.1
277.18192	1.4
279.15973	2.3
293.17480	2.7
303.15973	9.7
303.19528	2.7
321.13437	2.3
321.17111	33.3
321.20663	3.4
322.17365	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	321.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
69.74947	2.3
71.01251	0.6
83.04909	0.7
85.02835	0.6
87.00740	1.7
93.03332	1.6
93.99210	0.5
96.73824	0.4
98.20525	0.6
111.04391	2.1
119.04905	1.0
129.01819	0.5
136.07593	1.8
137.02344	0.5
147.04422	100.0
148.04773	2.9
155.03407	2.3
159.04460	0.4
166.48386	0.4
173.04472	3.3
189.05382	0.4
199.07614	0.5
215.10689	0.6
217.08606	0.5
232.72958	0.4
303.08804	0.6
321.09906	3.8
321.13504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15548	0.4
54.56601	0.4
57.03305	1.1
58.15772	0.4
59.01257	1.8
66.98624	0.4
67.01759	4.6
69.03336	0.9
71.01258	3.1
71.10338	0.8
74.08016	0.3
78.08787	0.3
81.03352	0.7
83.04912	0.7
85.02789	0.5
87.00751	8.4
93.03334	27.5
109.02852	1.5
111.00751	0.6
111.04416	4.4
113.02232	0.4
127.03938	0.5
137.02341	4.7
147.04419	14.0
155.03386	3.5
159.04411	1.0
173.04469	100.0
174.04807	3.4
189.09142	1.0
193.05016	0.4
197.06044	0.4
215.10655	0.8
219.10089	0.4
233.11916	0.7
259.09933	0.5
277.10776	0.7
303.08786	0.4
321.09781	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	319.0824
Annotation	Phebaclavin G
Peak:m/z	Relative Intensity
55.01750	0.2
61.30045	0.2
65.00202	0.9
67.01781	0.6
68.99687	3.6
71.02236	0.3
75.00757	0.3
83.01254	2.6
85.35587	0.2
91.26871	0.3
93.03316	0.5
95.01277	2.0
96.99194	1.1
97.02866	0.3
99.00770	1.1
105.03362	0.3
107.01247	1.6
110.00001	1.0
111.00773	2.5
115.05447	1.2
117.03368	0.9
119.01298	0.5
119.04904	0.7
121.02848	1.0
123.00769	3.0
123.04414	0.7
124.01561	1.2
125.02356	0.8
127.00250	0.6
129.03401	0.6
130.04150	0.7
131.04924	0.4
133.02864	1.3
135.00793	0.5
137.02327	0.7
141.03345	0.4
143.04945	2.3
145.02843	2.9
145.06522	0.5
146.03653	1.6
147.00813	1.5
147.04414	1.1
148.01579	3.3
149.02325	2.4
151.00284	5.9
151.03920	0.9
155.04909	0.4
156.02127	0.3
157.02852	1.6
158.03632	1.9
159.04405	3.4
160.01599	0.6
160.04808	0.3
161.02348	4.3
161.05981	0.7
162.03085	0.8
163.00339	1.1
163.03914	4.4
164.01080	0.6
169.01501	0.5
169.02896	0.5
170.03685	0.3
171.00777	0.5
171.04416	2.7
172.01576	3.0
172.05077	0.6
173.02365	7.0
173.06009	0.8
174.03136	11.4
175.00262	1.6
175.03879	2.5
176.01068	5.4
176.04655	0.5
177.01851	10.4
177.05463	0.5
178.02428	0.5
179.03436	1.1
182.03711	0.3
185.02388	2.6
186.03136	2.3
187.00287	0.6
187.03932	6.7
188.01166	0.5
188.04662	2.3
189.01859	4.2
189.05486	3.3
190.02634	2.0
191.03453	1.1
192.04216	3.6
193.04829	0.4
194.05756	0.7
197.02388	0.6
198.03181	0.6
199.00369	1.0
199.03958	1.7
200.01094	3.6
201.01869	24.3
201.05441	1.3
202.02621	11.5
202.99831	0.8
203.03439	3.4
203.07146	0.5
204.00670	0.6
204.04214	1.0
205.01378	1.5
205.05060	1.0
207.02785	0.4
207.06561	1.4
209.08147	0.5
213.01917	1.4
214.02666	2.0
215.03442	6.9
216.00600	2.7
216.04134	2.2
217.01463	5.5
217.04977	10.5
218.02135	3.5
218.05472	0.8
219.02870	1.0
219.06593	0.4
221.04628	0.5
226.02690	0.7
226.99712	0.6
227.03406	0.4
228.00681	1.0
228.04256	0.4
229.01393	11.0
229.05005	0.6
230.02112	6.4
230.05710	0.6
231.02882	2.6
231.06644	1.0
232.03751	5.2
232.07275	1.9
233.04526	1.5
235.02422	0.5
242.02324	0.6
243.02994	2.5
244.00142	1.6
244.03752	2.5
245.00928	21.7
245.04565	15.5
245.08223	0.4
246.01619	5.0
246.05028	1.2
247.02211	0.4
247.06136	0.7
247.09793	0.6
248.03249	1.0
257.00839	0.5
258.01642	0.3
259.00125	0.2
259.02469	11.9
259.06046	1.2
260.03149	2.2
260.06891	12.1
261.04031	24.9
261.07001	0.9
262.04413	1.4
273.00409	3.8
273.03479	0.4
273.07599	0.7
274.01193	0.7
275.05646	1.7
275.09290	9.2
276.03000	1.0
276.06372	10.4
276.09546	0.8
277.03763	0.5
277.06812	1.1
287.01984	4.3
288.02679	0.7
289.03546	9.4
290.03867	0.6
290.07144	0.3
291.05188	4.1
291.08777	6.8
292.09052	0.7
304.02344	1.6
304.05920	4.9
305.03223	2.7
319.04636	100.0
319.08228	16.8
320.05002	7.6
320.08524	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	321.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23271	0.3
57.03325	0.7
59.01258	1.6
63.16837	0.3
68.99687	0.4
69.03330	4.1
71.01279	0.8
81.03334	0.5
83.04903	0.5
85.02828	1.2
85.06470	0.7
87.00761	1.5
93.03337	2.8
93.86454	0.3
95.04889	0.4
97.06484	1.0
101.02328	0.9
103.05421	0.7
107.04903	0.6
108.02060	0.4
109.02844	0.6
111.04401	2.0
113.02357	0.4
113.33089	0.4
119.04927	1.3
121.02833	0.8
122.70295	0.3
127.47000	0.3
134.03635	0.5
135.04448	0.5
135.08083	0.5
136.05263	0.7
137.02338	0.9
137.06009	0.4
146.03627	0.7
147.04425	100.0
148.04745	4.4
149.05988	0.7
155.03461	2.0
157.10564	0.3
159.04448	2.4
160.05125	0.5
161.02255	0.3
161.05972	0.9
161.09579	0.4
161.21022	0.3
163.07568	1.4
171.08073	1.0
172.05215	3.6
173.04469	4.9
173.06012	5.9
173.11711	1.5
174.03230	0.3
174.06589	0.4
175.03917	0.7
175.07539	0.8
176.04691	0.6
177.09117	0.4
183.04384	1.5
185.05972	0.5
186.06798	2.1
187.03972	0.8
187.07579	4.1
188.08220	0.4
189.05559	1.6
189.09149	3.2
191.03398	0.4
192.04184	0.9
193.05006	1.0
197.06012	2.4
198.06778	0.9
199.07585	0.9
200.04715	0.3
201.05482	1.9
201.09152	7.0
203.07068	1.1
204.07858	2.5
205.08517	0.5
209.09686	0.7
210.93039	0.4
211.07677	0.5
214.06296	0.4
215.07076	2.3
215.10675	1.8
216.07903	2.6
216.11148	0.4
217.08405	0.5
217.12230	0.4
225.09225	1.1
227.10757	11.2
228.11086	1.1
229.08711	0.7
229.12195	0.4
233.11850	2.4
245.08109	0.5
245.11809	8.7
246.12155	1.1
259.09732	0.4
259.13409	1.1
260.06802	0.5
271.09756	3.2
277.10837	1.5
277.14346	0.9
289.10825	8.2
290.11160	0.6
321.09744	2.3
321.13437	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	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	7.8
59.01239	3.3
61.05372	2.5
61.56958	2.4
69.51907	5.2
69.52309	12.5
86.83017	3.1
87.00739	8.3
93.03342	12.4
97.06475	4.6
101.02319	10.6
109.02842	11.4
109.06470	2.8
111.00665	2.1
117.03327	5.8
119.04925	16.4
120.05312	2.5
133.02892	2.5
137.02286	3.9
143.04584	5.1
145.02831	11.8
146.03589	6.8
147.04434	8.9
149.05972	25.1
158.40523	2.3
159.04456	18.6
160.05133	6.2
161.02348	8.3
163.03918	13.7
172.05228	21.2
173.04485	5.5
173.05988	42.0
174.03146	4.8
174.06696	10.1
175.03932	3.3
175.07524	9.8
179.01758	5.0
181.03215	5.9
183.04463	15.2
184.05135	3.3
185.05984	4.9
185.09631	6.2
186.06871	3.0
187.03978	31.0
187.05835	4.4
187.07579	80.0
188.08020	5.6
189.09155	4.1
193.04935	3.6
196.05200	3.1
197.05948	8.8
198.05070	2.9
198.06805	36.3
199.07278	3.2
201.05518	22.7
201.07152	2.9
201.09142	15.0
202.06290	41.0
203.06903	2.9
203.10690	21.0
205.29713	2.4
211.07549	10.4
213.09155	100.0
213.11182	5.6
214.06165	2.7
214.09444	6.7
215.07056	22.5
216.07570	2.7
225.02147	2.7
229.08681	9.0
230.05774	4.5
231.06656	2.7
231.10229	64.1
232.10486	4.8
243.10194	2.9
257.08115	9.4
273.07660	4.4
275.09274	18.0
319.08368	14.5
319.11508	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	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
59.31764	1.1
65.03827	1.3
69.66862	6.0
71.01257	2.7
73.02821	1.7
81.03296	1.3
83.04933	1.7
87.00757	4.6
93.03349	5.3
97.06540	1.0
98.19730	1.0
101.02317	1.3
103.05465	1.0
107.04959	2.1
108.02053	1.6
109.02837	4.3
111.04401	1.8
117.03355	1.3
118.39557	1.1
119.04906	11.2
121.02849	5.0
121.06510	3.0
122.03645	2.3
131.04881	3.3
135.04414	1.3
135.96910	1.2
137.02350	6.4
139.03865	1.0
145.02916	6.1
146.03496	2.5
147.04420	21.0
148.05214	9.4
149.05986	100.0
150.06316	4.8
154.04942	1.1
155.03397	2.4
159.04416	3.9
160.05161	1.4
161.02351	22.6
162.02914	1.6
163.03931	11.5
171.04382	1.4
172.05177	2.5
173.05969	2.2
174.03152	11.3
174.06735	1.3
175.03926	47.2
175.07489	1.7
176.04628	3.2
183.04425	3.0
184.05197	5.0
185.05965	2.1
186.06836	1.5
187.03938	19.0
187.07582	1.9
188.04668	4.3
189.05394	2.8
189.09206	1.3
190.02655	1.8
191.03406	4.6
192.04179	2.1
193.04993	83.7
194.05316	3.8
196.05226	1.6
197.05946	4.1
198.06754	2.4
199.07588	1.9
200.04669	1.3
201.05482	12.1
201.09073	1.5
202.06285	7.3
203.03485	2.0
203.07062	4.6
203.10699	3.3
208.03671	3.0
213.05533	1.1
213.09128	26.4
214.06212	1.6
214.09436	1.3
215.07016	3.9
216.07828	1.4
225.09163	2.9
229.08636	2.9
231.06548	2.1
231.10223	70.1
232.10622	5.3
234.05328	1.4
240.11620	1.1
243.10245	3.2
247.09785	3.3
257.08206	5.7
275.09283	33.1
275.12549	2.3
276.09518	4.2
319.08350	9.9
319.11768	2.3
319.21231	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47807	0.8
69.48224	1.1
71.76370	0.3
74.95881	0.3
78.88769	0.3
83.77847	0.3
84.04419	0.3
84.57309	0.2
90.03344	0.4
91.01797	0.4
94.02816	0.5
94.06497	0.8
96.08066	0.7
98.69408	0.2
104.04922	2.0
108.04408	0.4
118.02861	1.4
120.04440	0.5
121.05283	0.3
122.06004	6.3
124.03930	0.8
124.07578	5.6
130.02876	0.5
131.03639	0.7
136.07579	13.3
137.07909	0.8
149.04715	0.6
150.05525	2.3
161.07179	0.3
164.03494	2.2
168.06596	0.5
170.06128	0.4
181.03722	1.0
185.07153	2.5
186.02480	0.3
196.07608	2.4
197.07080	0.7
198.04294	1.7
200.07097	0.6
200.10713	1.0
203.08257	1.2
210.09029	0.3
211.05157	0.6
211.08733	0.4
212.05722	0.3
212.10910	1.5
225.06705	2.5
225.10258	0.4
226.07347	2.3
226.10931	0.5
227.08214	9.0
227.11844	1.1
228.08516	0.5
230.11804	0.7
237.10266	1.4
238.08829	0.4
239.08208	3.3
240.08998	6.6
241.09306	0.6
243.11374	5.3
244.11746	0.5
255.11382	29.3
256.11746	2.2
258.10114	0.8
272.08063	0.7
273.12445	100.0
274.12781	8.0
284.19299	0.3
299.10449	0.4
317.11414	7.5
318.11548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.33941	0.2
59.01246	0.4
71.01251	2.3
73.02817	0.7
75.64980	0.3
81.03335	0.9
83.01270	0.4
85.02822	2.3
87.00758	0.4
89.55876	0.3
93.03356	0.6
95.01268	1.2
99.00753	0.4
100.09697	0.2
101.02307	1.0
105.72469	0.2
107.04914	0.3
108.02051	83.0
109.02848	34.1
109.42611	0.2
110.03178	1.0
111.04463	0.2
113.02316	1.1
119.04884	0.3
121.02840	1.2
121.69141	0.2
123.00768	1.1
123.04395	1.1
123.80696	0.2
125.02373	0.2
133.02861	0.7
135.00764	0.8
140.89999	0.2
145.82321	0.3
151.03905	2.1
152.01054	63.7
153.01840	36.6
153.04410	0.3
154.02133	1.3
163.03922	1.7
165.01875	2.2
167.03333	0.2
173.04443	0.3
177.01849	0.9
181.05003	0.3
195.02939	2.2
207.02849	0.9
225.03952	1.0
229.13467	0.3
315.07205	100.0
316.07523	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	315.0874
Annotation	Daldinal B
Peak:m/z	Relative Intensity
59.01236	0.3
63.02268	10.0
65.00191	4.8
66.00557	0.2
69.03335	0.2
71.11813	0.6
80.02527	0.5
83.01254	6.2
89.46653	0.2
95.01266	1.8
107.01269	14.0
108.02074	2.6
109.02879	0.9
114.87354	0.2
117.03327	0.5
121.02839	0.3
123.00757	1.0
123.04393	0.3
124.01559	5.7
125.02376	0.4
133.02852	0.5
135.00781	0.3
136.01582	2.5
137.02339	1.3
145.02852	3.4
148.01601	0.2
149.02353	0.6
149.06007	0.2
149.99495	1.9
151.00272	20.8
152.01056	1.9
153.01775	0.4
156.02032	0.2
161.02292	0.2
162.03098	0.5
163.00325	0.5
164.01056	4.0
165.01700	0.2
169.01343	6.9
170.01782	0.2
173.02345	0.3
173.06003	0.7
175.03923	0.8
177.01849	9.4
178.02237	0.2
185.06017	0.3
189.05531	0.3
195.04407	0.6
196.00027	2.8
197.06059	0.3
199.03926	0.5
201.01735	0.2
213.05501	0.6
215.03355	1.0
216.04250	0.4
217.01366	2.2
217.04939	1.1
218.02008	0.4
230.05751	0.5
231.06544	0.9
239.03456	0.7
240.04253	0.5
241.05057	0.9
242.02180	0.3
243.03017	0.4
243.06407	0.2
249.80475	0.2
254.05800	0.4
255.06366	0.3
257.04523	1.0
267.02982	1.0
271.06046	0.2
271.13400	0.2
281.04547	0.6
282.05441	1.1
284.03308	1.4
285.04025	8.6
286.04437	0.6
299.05588	4.3
300.06363	13.6
301.06689	1.2
315.08734	100.0
316.09067	8.7
339.31979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38811	1.1
56.09213	1.1
63.02289	1.3
65.00191	2.8
65.29266	1.1
69.54867	1.3
70.11114	4.9
83.01268	1.5
92.99606	1.1
95.01295	1.8
98.20568	1.3
106.38543	1.1
107.01260	2.4
119.01233	2.6
121.02801	2.0
123.00771	4.4
133.02841	1.2
135.00774	2.6
137.42834	1.1
141.42627	1.2
145.02873	7.5
148.01582	10.6
149.02299	2.8
151.00298	4.1
155.04893	1.2
161.02415	1.2
163.00246	1.3
172.05238	1.9
173.02423	2.1
174.03178	2.9
176.01048	1.2
177.01813	1.6
183.04468	6.3
185.06001	3.4
187.04010	3.4
188.04712	1.9
190.02641	2.2
194.56581	1.3
195.04475	1.8
199.03854	5.9
200.04723	3.3
201.01891	2.5
202.02705	2.9
203.03394	2.8
211.03899	6.3
212.04721	5.1
213.05441	2.2
214.02597	2.3
214.06157	3.0
215.03375	3.8
216.04242	5.5
217.01358	5.7
217.04970	2.3
218.01881	1.3
227.03430	16.4
228.04149	4.6
229.01306	2.1
229.05112	3.3
232.03712	9.2
239.03328	2.1
241.04988	1.8
242.02237	2.2
243.03015	4.7
243.10356	1.3
244.03569	3.8
247.06015	1.7
250.67371	1.2
254.02165	1.8
255.02951	46.1
256.03653	22.7
257.04474	6.4
271.02539	9.2
271.06116	5.0
272.03305	10.2
283.02512	30.3
284.03244	73.1
285.03979	41.4
286.04550	3.0
287.05728	8.2
300.02728	37.5
300.05884	2.0
301.03064	2.8
315.05145	100.0
315.08725	15.9
316.05313	9.8
316.08713	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.01745	0.5
59.01245	0.7
68.61049	0.5
69.03310	1.0
70.54749	1.3
71.01264	2.5
72.04664	0.5
73.02811	1.4
73.18317	0.4
76.88513	0.5
77.62738	0.4
80.10960	0.6
81.03330	1.2
82.65492	0.5
83.01252	0.6
85.02826	3.6
93.03318	0.6
95.01285	2.3
97.52914	0.4
99.00764	0.6
101.02325	1.2
108.02054	100.0
109.02857	29.5
109.03617	0.9
109.52441	0.6
110.03161	0.9
111.87088	0.5
113.02324	2.0
121.02854	1.4
123.00762	2.1
123.04385	1.3
123.65060	0.5
124.01372	0.6
125.02313	0.7
129.78404	0.5
131.01341	0.7
135.00806	0.7
135.04387	0.7
145.02968	0.5
147.18590	0.5
151.03885	2.1
152.01062	87.7
153.01846	40.7
153.02892	0.5
154.02151	1.5
163.03885	1.8
165.01822	2.1
175.87936	0.5
182.21568	0.6
195.02951	0.6
315.07211	85.3
316.07593	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54130	0.6
51.42107	0.5
61.18984	0.4
63.02283	1.0
65.00194	1.0
71.34627	0.6
83.01233	0.8
91.01748	1.1
95.01258	2.8
99.53311	0.5
107.01258	1.2
108.02050	1.5
109.02838	1.1
117.03367	0.7
119.01280	1.2
119.04934	0.6
121.02826	1.5
123.00755	4.7
123.04429	0.6
124.01479	0.7
133.02856	0.6
134.03636	0.6
135.00748	1.6
136.01524	1.7
137.02335	1.8
143.04910	0.6
145.02832	3.7
148.01575	5.2
149.02312	1.4
149.05983	0.5
151.00278	3.0
155.04865	0.8
158.03664	0.9
159.04445	1.0
161.02327	1.2
163.00262	1.6
165.01825	2.5
167.04886	0.6
171.04433	1.3
172.05240	1.0
173.02417	0.7
174.03140	1.6
175.03888	0.7
177.01736	0.7
182.03705	0.6
183.04442	4.2
184.05037	1.0
185.02277	0.8
187.03906	1.7
188.04723	1.7
189.01807	0.6
190.02666	0.8
190.99748	1.2
192.00461	0.7
195.04361	0.6
198.03160	1.0
199.03952	4.8
200.04651	2.6
201.01851	1.4
202.02602	2.1
203.03381	1.6
210.03207	0.7
211.03947	6.1
212.04654	3.6
213.05530	0.7
214.02567	1.3
215.03445	3.9
216.04231	5.4
217.01343	1.2
217.04810	0.7
224.04733	1.0
226.02600	1.4
227.03458	10.0
228.04218	4.0
229.04817	2.0
230.02072	1.2
232.03726	2.7
239.03416	1.6
242.02147	2.3
243.02924	11.1
243.06683	1.5
244.03702	4.3
247.06087	1.5
248.03275	0.7
254.02205	0.9
255.02960	25.9
256.03680	13.4
257.04135	4.3
259.06012	1.0
270.01657	1.3
271.02444	25.1
271.06009	6.5
272.03214	19.5
273.03699	1.8
283.02457	13.5
284.03235	27.8
285.03995	18.2
286.04752	5.8
287.05603	13.7
288.06079	0.7
299.01971	1.4
299.04956	0.6
300.02698	17.2
300.05829	3.1
301.02921	1.1
315.05060	100.0
315.08118	6.7
316.05359	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	315.0149
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.34391	1.2
56.54137	1.4
59.01242	2.2
63.02253	4.6
65.00198	15.3
66.28636	1.2
68.99686	1.8
81.49876	1.5
83.01261	7.2
85.02860	1.7
86.39252	1.4
91.01742	2.1
93.03349	3.9
93.16477	1.4
95.01279	1.9
98.19809	4.3
101.03868	1.7
107.01273	21.1
108.02135	2.2
109.02829	3.9
109.99973	5.1
111.00803	1.8
117.03362	2.3
121.02850	3.8
123.00797	3.8
123.04409	2.2
125.02325	2.5
128.00996	1.4
129.03358	1.8
131.04912	1.6
132.04482	1.5
133.02812	3.9
135.00797	12.0
136.98824	2.1
137.02348	1.6
139.00291	3.7
139.03885	3.7
143.04901	5.7
145.02858	4.6
147.04411	5.5
149.02336	7.9
149.99512	1.5
151.00284	100.0
152.00902	4.4
152.07094	2.8
153.01820	2.1
155.04939	1.5
159.04413	5.5
161.02359	5.0
162.51279	1.3
163.00269	8.7
163.03885	2.8
164.01036	1.9
164.98280	2.7
165.99023	2.7
169.01346	4.6
169.02756	1.8
169.31419	1.2
171.04414	7.5
173.02307	2.8
175.00348	2.6
175.03914	3.3
177.01881	3.2
177.03917	1.4
177.98872	2.8
178.99785	60.5
180.00165	2.3
185.02486	2.5
187.03911	10.3
189.01839	5.7
191.03477	2.0
197.02396	2.2
199.03937	5.7
201.01892	5.7
203.03465	8.3
205.01338	1.9
213.01880	2.6
214.02618	1.9
215.03439	18.8
217.01353	4.9
219.02986	3.9
227.03465	2.7
229.01390	3.2
231.02893	8.6
242.02065	2.4
243.02979	18.4
245.00851	3.8
259.02484	18.1
260.03036	1.4
271.02475	12.5
287.01978	49.9
288.02219	2.3
315.01480	84.0
316.02045	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01249	2.3
71.01257	1.5
71.54006	0.5
81.28576	0.5
85.02884	0.4
89.02307	1.4
97.06481	0.5
101.02330	0.6
106.14517	0.4
109.02829	1.4
111.07992	0.5
113.02316	0.5
113.09612	1.1
119.03384	0.5
121.02840	0.8
141.12671	0.4
143.10654	1.0
151.06013	0.4
169.12254	9.0
170.12592	0.8
186.03114	0.6
187.03885	0.6
198.03149	1.3
210.03139	0.5
211.03740	0.7
213.01889	0.7
214.02582	0.6
226.02565	1.9
227.03387	1.7
242.02176	2.6
243.02866	0.9
253.01312	0.4
254.02144	0.8
255.02936	3.5
256.03351	0.6
268.08542	0.4
269.01224	0.4
269.04431	0.5
270.01779	2.9
271.02362	1.8
277.21695	1.6
283.02496	3.4
284.03125	0.6
285.04050	2.4
294.21375	0.4
295.22781	14.8
296.23102	1.5
297.03922	2.3
298.01547	0.7
298.04721	2.4
299.01917	2.4
311.22311	1.7
313.03506	8.6
313.07190	6.0
313.23846	100.0
314.04083	2.7
314.07422	0.7
314.24170	10.6
316.45969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0432
Annotation	3'-O-methyltricetin(1-)
Peak:m/z	Relative Intensity
65.00203	0.3
68.12218	0.2
68.99687	0.4
87.47680	0.2
95.01261	1.4
98.20557	0.5
102.80784	0.2
107.01255	1.4
109.02872	0.3
111.00776	1.0
115.05405	0.5
117.03334	0.4
123.00817	1.1
124.01590	0.9
127.05415	0.8
129.03343	0.2
131.04980	0.4
133.02861	0.5
135.00774	0.4
139.00211	0.3
139.05418	0.2
140.94489	0.2
143.04904	2.8
145.02853	2.3
145.06519	0.3
147.00766	0.2
147.04419	0.8
148.01584	0.3
149.02380	0.3
149.06041	0.2
151.00282	3.7
152.00996	0.2
154.04105	0.2
155.04959	1.8
157.02858	0.8
158.03583	0.3
159.04434	1.4
161.02344	0.8
161.06036	0.2
163.00307	0.7
163.03905	0.7
167.04926	0.7
169.02800	0.2
170.03621	0.4
171.04427	7.4
172.04897	0.4
173.02357	1.8
173.06000	0.4
174.03136	0.2
175.00375	0.3
175.03935	1.5
176.01111	0.5
177.01849	1.1
181.02882	0.2
182.03656	0.8
183.04456	3.6
184.63681	0.2
185.02394	1.1
185.06023	0.5
186.03078	0.3
187.03912	4.1
189.01923	0.9
189.05472	0.7
191.03499	0.2
195.04524	0.5
196.05225	0.3
197.02528	1.0
197.05983	0.4
198.03123	1.8
199.03932	10.3
200.01076	0.5
200.04399	0.8
201.01869	5.8
201.05563	0.4
202.02263	0.5
202.99878	0.2
203.03426	1.5
209.02290	0.3
210.03178	0.4
211.03917	1.5
212.04681	0.6
213.01830	0.7
213.05521	1.0
214.02577	0.9
214.06187	0.4
215.03448	9.4
215.06906	0.3
216.03847	0.6
217.01360	1.2
217.05051	0.6
218.02223	0.3
223.03951	0.7
224.04776	1.7
225.01974	1.2
225.05350	0.3
225.09010	0.2
226.02650	2.4
227.03452	21.7
228.03804	1.8
229.01299	2.0
229.04933	0.4
229.47171	0.2
230.02060	0.3
231.03049	0.3
237.01907	0.8
238.02567	0.3
239.03438	0.5
240.00652	0.3
240.04272	0.6
241.04945	1.4
242.02252	1.0
242.05779	1.4
242.09401	0.2
243.02957	46.8
244.03319	3.0
250.86269	0.2
253.01457	1.1
254.02078	0.2
255.02943	2.9
256.03436	0.5
257.00549	0.2
257.04568	0.4
267.03024	0.3
268.03659	0.9
269.04507	0.7
270.01599	0.4
270.05038	0.2
271.02469	60.6
272.02829	3.9
276.72864	0.2
281.00830	0.5
282.01669	0.6
284.02966	0.3
285.04034	4.6
286.04614	1.4
295.02484	0.4
296.03271	1.9
297.03973	0.7
297.14981	0.2
299.01956	100.0
300.02325	7.3
313.03528	6.5
314.04303	47.4
315.01273	0.4
315.04703	3.8
315.08517	0.8
315.16138	0.4
315.25302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65494	0.4
59.01252	100.0
60.01598	1.1
69.33214	2.4
69.33620	1.1
71.01263	1.3
89.02345	0.8
101.02324	0.5
109.02836	1.4
117.12475	0.4
119.03411	0.4
139.11337	0.5
149.99651	0.4
151.06036	0.7
161.04585	0.5
178.88251	0.5
179.05598	0.6
198.03204	0.6
225.22240	1.2
226.02753	1.3
242.02277	1.3
253.09352	0.7
253.21695	5.4
254.22191	0.5
255.03029	2.3
269.04715	0.6
270.01797	1.2
271.22784	40.8
272.23108	3.8
283.02664	1.3
285.04126	0.7
297.03940	0.7
298.04770	1.2
313.03665	4.7
313.07343	3.3
313.11041	1.0
313.17712	1.3
313.23871	11.9
313.27393	0.8
314.04071	1.2
314.07614	0.5
314.24344	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	313.0718
Annotation	Coeloginin
Peak:m/z	Relative Intensity
51.41235	0.4
55.85382	0.4
58.14341	0.4
59.01270	0.5
69.44810	2.6
71.01293	0.4
72.16895	0.4
75.43105	0.4
79.68392	0.4
80.17640	0.4
82.26652	0.4
89.02318	0.8
92.78293	0.4
107.01330	0.6
109.02843	0.9
109.25208	0.4
119.01289	0.5
145.02954	0.4
151.00282	1.1
160.01384	0.4
161.02367	1.1
167.04929	0.5
176.01106	1.2
183.04390	0.7
185.02451	0.5
186.03201	0.5
187.03802	0.7
187.07576	0.6
197.06050	1.0
198.03105	1.5
199.04022	0.5
201.01918	1.0
210.02995	0.5
211.03922	1.2
214.02612	0.6
215.07158	0.5
225.05521	1.0
226.02666	1.7
227.03421	1.3
239.03545	0.6
240.04190	1.0
241.04944	0.6
242.02161	3.6
255.02968	60.4
256.03314	3.9
267.02972	0.9
268.03705	1.4
269.04547	28.9
270.01678	3.5
270.04883	2.7
271.02475	0.6
281.04538	1.7
283.02466	51.8
284.02859	3.4
285.04050	3.1
295.02484	2.0
297.04037	68.3
298.04739	31.0
299.02002	0.6
299.05084	2.2
313.03607	9.9
313.07141	100.0
314.03922	1.5
314.07486	10.1
318.86374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.49400	0.4
59.01257	0.9
63.02280	0.7
65.88654	0.4
68.52261	0.5
69.94744	0.4
71.08296	0.9
83.01280	0.8
89.02332	0.5
92.69829	0.4
107.01260	1.3
108.02084	0.5
109.02876	0.6
121.02842	100.0
122.03162	2.9
124.01584	0.8
145.02879	0.5
147.07657	0.4
151.00298	2.2
154.60451	0.4
161.02423	0.5
169.02809	0.5
180.05653	0.7
181.06464	3.7
185.62141	0.4
187.03935	0.6
195.90546	0.4
211.03996	4.8
214.02654	0.5
225.05540	6.5
226.02654	1.0
226.06310	2.7
227.03423	2.1
239.03450	1.2
242.02164	0.6
254.02238	0.6
255.02975	35.4
256.03290	2.1
267.02914	2.5
269.04526	1.7
270.01620	1.1
270.05087	0.7
271.02542	0.5
281.04285	0.5
282.01721	1.5
283.02484	23.7
284.02917	1.8
285.04053	0.7
294.58182	0.5
297.03986	4.9
298.04819	34.7
299.05109	2.2
313.03922	3.5
313.07166	88.2
314.07440	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	313.0717
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.74589	0.8
59.01250	4.4
70.32919	2.9
71.01247	2.9
85.02837	1.4
89.02312	2.9
101.02329	1.8
109.02878	1.3
109.49023	0.9
121.02803	1.6
133.02838	1.0
135.00742	1.3
139.11235	0.9
145.02805	2.5
151.05962	1.0
152.03491	0.9
167.04878	1.0
168.65074	1.0
170.03664	1.3
175.96625	0.9
179.05515	1.3
183.04465	7.3
185.02351	1.9
187.03923	2.0
196.05080	0.9
198.03177	2.5
199.03951	2.4
201.01686	0.8
211.04051	5.1
211.13297	1.5
212.13730	4.2
213.01917	1.2
213.13948	1.6
214.02621	2.1
226.02600	3.7
227.03464	36.1
228.03836	2.0
230.01613	1.0
239.03487	1.4
241.05159	1.5
242.02130	3.7
254.02220	1.8
255.02989	66.5
256.03333	4.0
269.04553	6.6
270.01697	5.3
270.05267	23.1
271.02054	1.2
271.05606	1.0
282.01764	6.3
283.02484	15.9
283.05612	2.0
284.02814	1.3
285.04001	4.8
285.07504	1.5
294.21628	9.0
295.21750	4.4
297.04071	6.4
298.04825	75.2
299.05252	6.5
312.22198	2.0
313.03528	16.4
313.07123	100.0
313.14233	2.4
313.23590	3.4
314.07513	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17348	0.7
59.01234	0.9
64.30376	0.6
65.22298	0.6
71.01231	0.7
71.54549	0.9
101.00535	0.6
113.77868	0.6
121.02850	10.8
128.73247	0.6
147.04402	0.9
155.04968	3.4
159.04391	1.3
171.04446	1.2
182.03583	1.2
183.04434	2.6
185.02341	1.3
187.07576	2.5
193.48949	0.7
198.03201	1.5
199.03903	1.6
201.01869	0.9
210.03177	0.8
211.03926	2.7
213.01955	1.1
214.02626	1.1
215.07051	2.6
225.05644	0.7
226.02667	2.1
227.03450	73.6
228.03874	4.6
229.01164	0.8
239.03380	1.4
242.02136	2.8
243.03023	1.2
255.02966	86.0
256.03436	6.1
266.02142	2.4
267.02905	0.9
269.04599	2.0
270.01712	3.4
270.05322	10.2
271.02457	1.6
282.01727	5.3
283.02472	14.2
284.02774	1.1
285.04086	3.0
285.07562	1.4
297.04022	2.6
298.04810	100.0
299.01904	2.8
299.05136	6.6
313.03568	14.6
313.07108	78.6
313.14618	2.5
313.17950	1.6
314.04080	2.8
314.07559	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48771	0.3
57.18218	0.3
70.67817	0.6
88.48077	0.3
91.01775	0.8
135.00771	3.2
153.01825	0.7
167.04919	0.4
171.04362	0.5
183.04468	2.6
185.02325	0.8
199.03914	1.7
210.03108	0.5
211.03922	4.5
227.03438	8.0
228.03810	0.7
239.03467	2.6
240.03868	0.4
242.02060	0.5
255.02962	89.1
256.03308	6.4
267.02945	4.0
268.03442	0.3
283.02466	100.0
284.02817	7.4
285.03958	0.5
298.04816	21.8
299.05142	2.1
313.07169	78.9
314.07492	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87203	0.1
68.99690	0.3
69.74738	0.4
69.75132	0.4
78.94845	0.2
84.29039	0.2
95.01246	0.8
98.20640	0.2
106.20344	0.2
107.01253	0.5
109.02827	0.4
111.00792	0.2
111.02940	0.1
117.03346	0.2
119.01264	0.2
123.00771	0.7
124.01553	0.3
126.04624	0.3
130.04146	0.3
131.04897	0.2
132.02077	0.6
133.02867	0.4
134.00101	0.2
134.03598	0.3
135.00781	0.2
135.70718	0.2
137.02364	0.4
141.03348	0.4
142.04156	0.4
143.04903	0.3
145.02846	0.8
146.03603	0.7
147.00780	0.4
147.04419	0.2
148.01559	1.2
151.00293	1.1
153.03304	0.2
154.04169	1.2
155.04796	0.3
156.02046	1.3
157.02863	1.1
158.03653	2.8
159.04352	0.3
160.01514	0.6
161.02370	1.6
163.00250	0.3
163.03920	0.4
167.04948	0.5
169.02869	2.2
169.06555	0.3
170.03661	6.4
171.04398	0.8
172.01567	1.4
173.02377	1.4
174.03137	4.5
175.03548	0.2
176.01065	0.7
177.01840	0.6
181.02840	0.9
182.03677	2.5
183.04372	0.8
184.01611	0.4
185.02377	2.6
185.05826	0.2
186.03154	5.1
187.03889	1.0
188.01097	0.4
189.01819	0.5
189.05489	0.2
190.02660	0.3
195.04376	0.9
197.02382	3.5
197.06145	0.3
198.03160	15.2
199.00359	0.2
199.03770	1.7
200.01088	3.1
201.01860	8.0
202.02626	3.4
202.99681	0.2
205.01402	0.2
209.02399	1.7
210.03163	7.2
211.03922	2.4
212.01134	1.2
212.04468	0.2
213.01865	5.0
213.05405	2.0
214.02650	11.5
215.03210	1.6
216.00638	0.5
216.04138	0.5
217.01434	0.2
217.04958	0.3
223.03986	0.9
224.01009	0.2
225.01909	3.2
225.05486	3.6
226.02663	23.2
226.99802	0.3
227.03287	3.7
228.00595	1.4
228.03934	0.3
229.01372	6.8
229.05014	0.7
230.02153	3.5
231.02750	0.2
231.06599	0.2
237.01778	0.9
239.03418	2.2
240.04071	0.5
241.01431	2.9
241.05040	1.6
242.02170	37.7
243.02582	3.0
245.00845	0.5
245.04457	1.1
246.01666	1.0
251.03517	0.6
252.00301	0.2
253.01410	4.9
254.02168	8.7
255.02911	3.0
256.00134	0.4
256.03442	0.2
257.00806	0.2
257.04575	1.0
267.02954	1.4
269.00909	3.0
269.04526	2.0
270.01688	37.8
271.02069	3.3
274.01331	0.4
280.00095	0.2
281.00919	3.6
282.01706	1.9
283.02457	3.9
284.03326	1.0
285.04034	34.2
286.04401	2.4
295.02438	0.7
297.00400	1.8
297.04016	0.6
298.01196	10.9
298.04642	0.6
299.01559	1.1
302.00702	0.5
313.03534	100.0
314.03897	9.4
314.07306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46333	0.5
61.74518	0.4
62.85835	0.4
64.64946	0.5
69.02902	0.4
69.21933	3.0
69.22359	1.9
89.24153	0.4
91.93684	0.5
102.32474	0.5
107.30743	0.5
151.00313	0.6
170.03683	0.9
176.01080	1.3
182.03647	0.5
183.04446	0.7
186.03008	0.7
191.04854	0.5
195.04477	0.4
198.03166	1.9
199.03929	2.2
201.01854	0.8
210.03133	1.1
211.03914	2.4
213.01947	0.6
213.05457	0.6
214.02638	1.4
215.03270	0.6
223.03845	0.7
224.04704	0.7
225.05490	1.6
226.02629	2.6
227.03461	8.0
228.03676	0.6
229.01352	0.9
236.79474	0.5
239.03477	2.1
240.04167	1.2
241.04993	1.2
242.02147	3.8
243.02686	0.9
253.05037	0.9
254.02168	0.8
254.05878	0.6
255.02971	55.2
256.03284	3.2
267.02954	1.6
268.03595	1.5
269.04550	27.5
270.01703	4.0
270.04880	1.9
281.04529	1.8
283.02478	59.4
284.02811	4.5
285.04041	3.8
295.02493	2.0
297.04044	75.0
298.04742	29.9
299.05118	1.9
313.03601	11.9
313.07138	100.0
314.04013	0.9
314.07489	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99852	0.3
55.09653	0.3
64.12852	0.3
75.40113	0.3
83.28589	0.3
83.97826	0.3
95.01262	0.7
107.01282	0.5
108.02055	0.7
109.02857	0.5
111.00755	0.4
131.22653	0.3
132.02104	0.4
139.26033	0.3
147.00780	0.8
151.00276	1.8
160.01549	0.3
161.02359	0.6
162.03088	1.1
167.04955	0.3
171.04361	0.4
183.04431	1.6
189.01854	0.8
195.04393	0.7
198.03061	0.4
199.03897	2.0
210.03094	0.6
211.03952	12.3
212.04298	0.7
224.04724	0.4
225.05513	0.5
226.02603	1.4
227.03438	9.0
228.03807	0.5
239.03464	13.6
240.03807	0.9
241.05240	0.4
242.02295	0.5
242.05542	0.5
253.05051	1.1
254.02197	0.9
254.05698	0.9
255.02966	43.5
256.03320	3.1
266.02072	0.4
267.02979	3.2
269.04468	1.7
270.01685	0.9
270.05295	0.9
281.04523	1.2
282.01678	1.9
283.02478	14.5
284.02921	1.1
285.04016	0.6
297.04050	4.8
298.04813	55.8
299.01941	0.3
299.05127	4.5
313.07169	100.0
314.04202	0.4
314.07495	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01284	0.3
91.59844	0.2
95.01282	0.3
98.19783	0.8
107.01276	0.5
108.02045	0.3
109.02853	0.7
111.00816	0.3
120.22446	0.3
121.02836	0.3
123.00766	0.5
124.01520	0.4
137.02344	0.3
143.04973	0.3
147.00801	0.6
148.01579	0.8
151.00276	1.4
160.01649	0.4
161.02385	0.9
162.03185	1.1
167.04912	0.5
171.04439	0.6
172.74564	0.3
173.02350	0.3
173.05988	0.4
173.85307	0.3
176.01109	0.8
183.04495	1.3
185.02361	0.3
187.03853	0.4
189.01889	0.8
195.04449	0.5
196.05206	0.3
198.03159	1.1
199.03952	1.6
201.05548	0.3
202.02705	0.5
209.06078	0.3
210.03177	0.7
211.03951	13.8
212.04333	0.7
213.01991	0.5
213.05479	0.4
214.02649	0.5
215.03413	0.5
215.07024	0.5
225.05547	0.9
226.02667	1.7
226.06161	0.4
227.03462	9.6
227.05772	0.5
228.03847	0.4
239.03484	14.3
240.03842	1.3
241.04968	0.6
242.02251	1.1
242.05841	0.3
243.02798	0.3
251.03439	0.3
253.05005	1.2
254.02197	1.0
254.05904	0.6
255.02974	48.1
256.03342	3.1
265.01465	0.4
266.02231	1.1
267.02954	2.9
269.04474	1.8
270.01706	1.4
270.05283	1.0
281.04480	1.2
282.01694	2.5
283.02478	17.1
284.02802	1.3
285.04044	1.5
297.04047	6.6
298.04825	57.7
299.05164	4.5
313.03842	4.7
313.07166	100.0
314.04214	0.6
314.07489	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96312	0.9
52.06819	0.9
59.01236	1.1
70.92542	0.8
71.01254	0.9
81.17110	0.9
85.72943	0.9
98.19798	2.8
109.02821	1.2
121.02848	15.1
133.02852	0.8
135.00705	1.3
147.04431	0.8
149.05977	0.9
155.04910	4.9
171.04352	1.0
183.04430	4.3
185.02267	1.1
187.03961	1.5
187.07605	5.1
193.04776	1.0
197.05972	2.0
198.03090	3.8
199.03857	2.7
201.01826	1.3
211.03961	4.1
213.05420	0.9
214.02599	1.5
215.07037	3.7
216.07762	1.3
225.05489	1.4
226.02599	3.1
227.03450	78.5
228.03802	5.0
239.03470	2.1
242.02182	4.6
243.02859	2.0
255.02972	90.3
256.03226	7.1
261.23431	0.9
266.02145	3.3
267.02576	0.9
269.04483	2.3
270.01956	4.7
270.05240	7.5
271.02353	1.3
282.01614	3.1
283.02435	14.2
285.03995	3.9
285.07104	1.0
297.03983	3.3
298.04819	100.0
299.01862	3.8
299.05151	7.2
313.03503	17.6
313.07104	92.9
313.14603	3.2
314.04041	3.3
314.07510	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	313.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98534	0.3
59.01239	0.4
65.00204	0.3
68.99680	0.4
69.24467	1.0
69.24895	1.5
71.01288	0.3
74.16434	0.3
95.01294	0.7
96.86459	0.3
107.01284	0.5
108.02052	0.3
109.02839	0.6
111.00727	0.4
123.00776	0.3
126.04566	0.3
132.02008	0.3
133.02812	0.4
142.04085	0.5
143.04889	0.3
144.02089	0.3
145.02882	0.7
146.03613	0.8
148.01559	1.0
151.00276	1.2
152.07037	0.5
154.04152	1.2
156.02074	0.9
157.02852	0.9
158.03639	2.6
160.01596	0.4
161.02341	1.3
162.03146	0.4
165.86592	0.3
169.02823	1.9
170.03658	5.2
171.04295	0.4
172.01607	1.0
173.02357	1.5
174.03139	4.3
176.01065	0.7
177.01855	0.7
181.02846	0.8
182.03616	2.3
183.04314	0.6
185.02328	2.2
186.03120	4.1
187.03813	0.4
189.01846	0.6
190.02596	0.5
195.04407	1.0
197.02373	3.4
198.03154	13.6
199.03682	1.5
200.01071	2.6
201.01857	6.4
202.02600	2.3
209.02409	1.4
210.03169	7.1
211.03908	1.8
212.01050	1.7
212.04617	0.4
213.01897	3.4
213.05534	1.8
214.02657	9.7
215.03325	1.4
216.00514	0.5
216.04337	0.4
217.01393	0.4
223.03954	0.3
224.01028	0.3
225.01921	2.9
225.05486	3.7
226.02666	21.4
227.03284	3.4
228.00592	1.3
229.01376	5.9
230.02139	3.6
237.01859	0.8
239.03496	1.4
240.04166	0.7
241.01462	1.7
241.04991	1.3
242.02168	26.2
243.02702	2.6
245.00655	0.3
245.04550	1.0
246.01707	1.0
251.03311	0.3
252.00520	0.4
253.01425	3.3
254.02180	8.4
255.02893	1.6
257.01053	0.3
257.04544	0.7
267.02982	0.9
269.01062	2.9
269.04309	2.2
270.01694	26.5
271.02185	2.5
274.01184	0.5
281.00928	2.9
282.01645	1.1
283.02487	2.2
284.03226	1.1
285.04041	21.9
286.04318	1.7
295.02429	0.4
297.00354	1.3
297.03671	0.4
298.01175	11.5
299.01831	1.8
313.03537	100.0
314.00244	0.7
314.03903	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	313.0346
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
61.74560	0.2
65.00198	0.3
68.99686	0.3
69.88528	0.9
73.75352	0.2
89.00203	0.2
95.01258	0.7
98.19872	0.3
107.01268	0.8
108.02106	0.2
109.02815	0.3
111.00797	0.4
123.00811	0.5
127.43601	0.2
130.04126	0.4
132.02061	0.5
133.02811	0.3
137.02354	0.3
141.03308	0.5
142.04132	0.2
143.04924	0.3
145.02832	0.8
146.03644	0.8
148.01576	1.1
151.00246	1.0
154.04169	1.5
155.04840	0.2
156.02081	1.1
157.02863	1.2
158.03645	2.6
160.01547	0.3
161.02385	1.6
162.03194	0.2
163.03824	0.3
167.05005	0.4
169.02863	2.1
170.03656	6.3
171.04146	0.6
172.01556	1.3
173.02299	1.2
173.05991	0.2
174.03143	3.9
175.00316	0.4
175.03600	0.2
176.01065	0.5
177.01883	0.4
181.02873	0.7
182.03651	2.2
183.04401	0.7
184.01521	0.3
185.02382	2.6
186.03139	4.5
187.03873	0.8
189.01813	0.2
189.05481	0.2
190.02615	0.3
195.04402	1.1
197.02376	3.4
198.03162	12.9
199.03784	1.4
200.01089	3.0
201.01871	7.5
201.05507	0.3
202.02652	2.7
209.02390	1.4
210.03160	6.4
211.03864	1.4
212.01031	1.3
212.04623	0.3
213.01888	4.4
213.05426	1.7
214.02654	11.1
215.03299	1.1
216.00635	0.5
216.04179	0.3
217.05043	0.5
223.03932	0.8
225.01939	3.3
225.05490	2.7
226.02672	20.1
226.99991	0.2
227.03351	3.2
228.00510	1.2
229.01373	5.5
229.05013	0.4
230.02151	2.4
237.01857	0.7
239.03468	1.9
241.01401	2.1
241.04971	1.6
242.02174	33.3
243.02586	2.2
245.00932	0.4
245.04512	1.2
246.01698	0.7
251.03488	0.5
252.00488	0.3
253.01418	4.3
254.02180	7.4
255.02876	2.0
257.00720	0.2
257.04501	0.9
267.03116	1.1
269.00943	2.5
269.04535	1.6
270.01697	32.3
271.02136	2.6
274.01266	0.5
281.00943	3.2
282.01593	1.4
283.02484	3.0
284.03171	0.9
285.04050	29.9
286.04349	2.1
295.02530	0.7
297.00443	1.2
298.01193	10.2
299.01755	0.8
302.00647	0.4
313.03540	100.0
314.03931	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	313.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41194	2.0
69.41614	2.0
71.65282	0.5
87.72925	0.5
89.62493	0.6
98.19849	1.1
101.91791	0.5
143.04819	0.8
145.02850	1.0
146.03619	1.0
154.04124	0.9
157.02859	1.2
158.03647	3.6
161.02373	1.0
163.04027	0.6
169.02876	1.2
170.03651	9.0
170.05000	1.0
171.04324	1.5
172.01543	0.7
172.13219	0.5
173.02367	1.0
174.03151	4.2
181.02867	1.0
182.03651	0.8
183.04419	1.4
184.01701	0.5
185.02379	2.7
186.03157	5.3
187.03871	2.8
197.02319	3.1
198.03139	9.0
199.03870	1.9
200.01074	1.8
201.01883	10.6
202.02386	1.5
209.02483	1.0
210.03029	0.8
211.03940	1.5
213.01877	4.6
214.02643	8.4
215.03331	2.3
225.01854	3.0
226.02670	6.8
227.03465	4.2
229.01456	3.7
230.02118	0.9
239.03427	1.6
241.01422	2.8
242.02159	46.9
243.02766	4.4
253.01379	4.9
254.02075	2.7
255.02930	4.3
257.00970	0.6
269.00980	1.6
270.01682	39.6
271.02390	15.1
274.01080	0.7
281.00906	3.3
282.01547	2.6
283.02432	5.6
285.04034	43.5
286.04446	3.9
297.00586	0.8
298.00989	4.5
299.01971	20.3
313.03534	100.0
314.04004	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01249	1.3
60.12678	0.5
71.01241	0.6
74.03542	0.5
81.53913	0.5
90.34221	0.5
105.20403	0.5
113.09616	0.7
115.07507	0.8
115.62341	0.6
127.07574	0.7
139.11243	0.7
150.80083	0.6
159.49626	0.6
167.14339	2.5
171.10138	1.5
183.00914	0.7
183.13832	2.5
195.13837	11.0
211.13315	1.7
213.14815	0.9
242.15121	0.7
265.21594	0.8
267.23233	1.3
293.21228	9.3
309.96353	0.7
311.22269	100.0
312.22647	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	313.0354
Annotation	Tenuifone
Peak:m/z	Relative Intensity
58.63891	0.5
59.01245	0.7
64.99880	0.5
65.00195	1.3
69.36017	4.1
71.01250	0.7
83.01249	0.8
85.45479	0.6
87.00757	0.6
91.01778	0.7
107.01280	1.5
108.02071	1.2
109.02844	0.9
113.03778	0.7
116.43559	0.5
125.02289	0.6
130.04141	1.1
132.02060	0.9
133.02841	0.8
135.00787	1.8
137.02283	0.7
145.02829	1.5
146.03712	1.2
147.00764	0.6
147.04393	0.8
149.02335	1.6
149.05954	0.7
149.79102	0.5
149.99606	0.7
151.00267	2.9
155.04964	0.6
157.02898	0.7
158.03682	4.7
159.00816	0.6
160.01549	1.6
161.02344	1.9
161.06146	0.5
162.06734	0.9
169.02811	1.3
170.03625	2.7
171.04407	1.1
172.01555	1.6
173.02321	1.9
174.03125	5.4
175.03508	0.6
176.01093	1.1
177.01845	0.7
182.03661	1.3
183.04466	1.3
185.02403	3.8
186.03122	4.3
187.03879	1.6
187.07585	2.1
189.01897	0.7
192.00394	0.6
197.02370	1.7
198.03163	6.3
199.03743	2.6
200.01079	0.7
201.01868	20.6
201.09035	0.7
202.02501	3.5
205.01302	0.9
208.77533	0.6
209.02351	1.4
210.03120	1.2
211.03906	5.8
213.01846	5.6
213.05360	0.7
214.02663	12.5
215.03351	1.4
215.07048	2.0
225.01878	2.5
225.05571	1.0
226.02611	5.9
226.06264	2.0
227.03484	4.5
229.01341	2.3
230.01874	0.8
237.01917	0.8
239.03395	1.1
239.66887	0.6
241.01343	1.2
241.99843	1.1
242.02187	16.3
242.04643	0.9
243.02827	3.3
251.03500	0.9
253.01402	6.2
254.02170	2.9
255.02966	36.2
256.03296	2.4
257.15430	2.6
267.02969	1.8
268.03561	0.7
269.01163	1.4
269.04520	4.6
270.01694	71.1
271.02420	30.3
271.05496	0.9
274.01184	1.7
281.00967	3.8
282.01611	2.1
283.02487	27.2
284.02740	1.8
285.04044	55.4
286.04474	5.7
297.00867	0.8
297.04004	6.9
298.00928	2.9
298.04718	32.2
299.01974	24.0
299.05075	2.5
302.00754	1.2
313.03488	100.0
313.07156	68.6
313.14597	1.8
313.17630	6.2
314.03970	14.4
314.07541	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15257	0.7
53.18056	0.6
57.03328	1.5
59.01236	2.1
68.60397	0.7
70.44453	1.6
70.44798	0.8
71.04882	0.8
84.02042	0.6
97.02769	0.7
97.06454	1.0
99.08051	0.9
102.03177	0.6
113.09615	3.4
121.10135	1.6
125.09612	2.8
125.36465	0.5
126.18443	0.6
126.68109	0.6
127.11221	2.9
129.09097	1.0
137.09595	0.7
139.11189	15.1
140.11533	0.9
153.09061	1.0
155.10637	1.3
163.11179	1.3
164.11848	0.6
165.12794	0.9
167.10707	1.0
168.11584	0.7
171.10181	38.2
172.10478	0.8
173.98061	0.6
178.39458	0.6
183.10182	0.8
183.13748	0.7
185.11754	3.4
193.12291	0.9
197.11818	1.6
201.11273	4.0
211.13322	4.0
249.22200	2.0
271.64471	0.6
275.20157	2.6
293.21222	47.1
294.21680	3.9
311.22266	100.0
312.22595	10.3
316.07224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
59.01231	1.0
63.02573	0.7
65.57372	0.6
69.03320	1.0
70.29111	2.8
70.29456	0.9
80.30178	0.8
83.04873	0.8
97.02841	1.2
99.08019	3.3
113.09601	4.4
118.54914	0.6
121.10118	1.0
129.09105	4.5
139.11151	3.6
141.09077	1.0
151.11174	0.8
162.00327	0.7
163.11214	0.8
165.12712	1.0
169.12242	2.8
171.10178	12.3
181.12282	4.2
183.13835	2.7
193.12274	6.0
197.11769	10.6
199.13339	5.1
211.13326	21.3
249.22298	1.2
265.21820	0.8
272.51410	0.6
293.21213	26.2
293.24518	1.4
294.21429	2.7
311.22266	100.0
312.22601	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43922	1.3
59.01262	1.4
65.38976	1.0
70.29452	3.7
90.44406	1.0
99.08054	1.4
102.54689	1.3
106.34490	1.2
110.15749	1.1
113.09612	2.4
125.09614	2.1
127.11169	4.7
129.09106	3.4
139.11191	8.2
155.10681	2.4
169.12204	1.9
171.10188	45.9
172.10548	1.8
181.12241	4.5
183.10213	3.4
183.13853	1.5
185.11760	7.7
185.68414	1.2
193.12230	1.6
197.11800	6.1
199.13312	2.6
201.11235	7.0
211.13359	14.8
275.20111	4.0
282.58377	1.1
293.21268	17.7
294.21576	1.3
300.51273	1.1
311.22275	100.0
312.22623	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49289	0.8
56.63873	0.9
59.01249	8.5
66.97585	0.8
71.01238	1.1
75.00760	1.6
87.00773	1.9
89.03867	1.3
91.84695	0.8
93.03335	7.1
100.38752	0.9
117.03354	11.9
118.95605	1.0
121.02854	7.6
123.04340	1.4
134.03635	100.0
135.02888	8.8
135.03983	3.1
137.02339	12.4
149.05969	8.2
173.04521	5.6
185.06551	0.7
192.02667	0.8
193.04997	94.7
194.05328	4.0
245.33113	0.8
246.60005	0.8
248.82236	0.9
257.30966	0.9
311.08099	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
59.01252	3.7
67.01662	0.7
67.38335	0.6
70.18620	2.3
70.18967	0.8
71.01246	2.3
72.99163	1.9
75.00745	45.4
85.02863	0.9
87.00800	0.9
87.80243	0.9
89.02304	1.1
93.03326	1.1
108.32065	0.7
119.04912	19.5
120.05235	0.8
121.02842	1.0
129.01834	8.3
134.79912	0.7
147.02907	2.7
163.03928	20.3
165.03964	100.0
166.04301	1.1
174.95235	0.7
175.03822	0.8
179.07094	0.7
201.04585	0.7
311.07925	1.1
311.22226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.3
70.81559	1.5
71.01252	1.4
75.00745	2.8
87.00757	2.2
87.13334	0.6
89.03862	2.7
93.03337	15.3
94.29175	0.7
99.00832	0.7
101.02338	0.6
117.03342	10.7
121.02847	5.2
123.04430	0.7
134.03633	100.0
135.02882	8.1
135.03981	3.8
137.02350	28.7
138.02699	1.0
149.05980	7.3
157.52103	0.6
173.04488	10.5
174.04799	0.6
175.03944	1.5
179.07071	0.9
187.07555	0.7
193.04996	96.4
194.05345	4.5
205.08643	1.0
237.03889	0.8
288.55362	0.6
311.07745	0.9
311.10971	1.1
312.08752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04337	0.9
55.01763	6.4
59.01241	1.4
69.72146	6.6
71.01244	3.4
74.35190	1.0
75.00748	2.4
93.03340	3.0
98.19851	1.9
101.02340	1.3
108.01873	1.1
119.04922	60.9
120.05256	2.9
129.01875	5.1
137.02287	4.9
147.02901	5.0
161.72008	0.9
163.03922	100.0
164.04285	3.2
165.03967	6.6
193.05017	1.2
264.93039	1.2
311.07880	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03324	3.8
59.01249	100.0
66.64625	3.6
69.87482	10.5
69.87876	6.3
71.01253	65.5
73.02817	27.2
75.00739	5.2
83.01317	3.9
85.02827	14.1
87.00748	14.2
89.02315	89.4
93.03337	21.9
98.19910	5.2
99.00761	48.3
101.02327	52.1
101.52148	3.9
113.02329	10.9
119.03397	5.1
131.03387	10.0
137.02345	36.8
143.03424	4.8
147.06493	4.9
149.04460	25.9
149.05960	4.4
161.04654	6.4
161.05939	6.7
164.54623	4.5
165.95215	4.2
185.23964	3.9
191.05568	18.7
258.41449	3.7
311.09698	15.9
311.12799	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.40438	1.7
57.03312	3.2
59.01247	3.3
70.65798	4.8
71.04888	32.5
95.04900	2.0
97.06479	7.5
111.08015	2.4
119.08544	2.3
121.10102	9.7
123.08018	2.8
125.09602	5.7
137.09625	29.5
141.21252	1.5
141.71677	1.6
171.10182	83.0
172.10489	3.7
181.12227	2.1
185.11743	14.0
197.11783	2.7
207.13803	2.9
219.13811	4.1
221.11746	1.8
233.15454	2.9
235.17088	4.7
237.14902	4.6
247.20602	3.9
251.16545	28.9
252.16986	2.2
258.70288	1.8
283.36026	1.8
291.19656	87.4
292.20029	7.7
309.20706	100.0
310.20911	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74137	0.7
57.03299	1.1
59.01258	4.4
61.97567	0.8
71.01261	2.0
77.35828	0.9
79.95609	8.4
81.03358	0.9
83.04890	2.3
85.32186	0.9
87.54098	0.8
91.21130	1.0
95.04932	1.1
95.95102	1.0
96.95892	86.8
97.06489	5.1
101.02367	1.2
102.31453	0.8
111.08028	4.4
113.01109	0.9
122.97475	3.3
137.09676	1.7
145.85350	0.9
147.11723	1.3
149.48883	0.9
149.73404	0.8
151.03880	0.9
151.07593	2.1
152.08333	2.0
163.11156	1.2
165.12766	43.3
166.13126	2.7
167.10707	0.9
171.10172	3.8
183.13843	20.6
195.13892	2.8
197.11812	7.3
209.11769	4.4
209.15443	3.1
211.13371	2.1
227.12871	1.8
252.10234	0.9
265.18164	1.1
265.21677	1.6
273.18570	1.1
291.19635	8.8
291.23294	3.0
292.19949	1.2
309.17401	100.0
309.20743	13.7
309.24432	14.0
310.17722	9.1
310.21161	2.3
310.24710	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	311.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.5
86.34414	0.5
91.01780	2.3
95.01260	0.5
108.02091	0.6
115.38026	0.4
132.02080	2.2
132.02946	0.5
135.00777	4.0
148.01566	0.9
153.01839	0.7
154.04108	0.5
158.03619	0.9
160.01707	0.5
161.02327	1.1
167.04878	1.0
171.04361	0.6
182.03625	3.4
183.04398	1.3
184.05203	0.9
185.02377	1.2
186.03026	0.4
186.06793	3.3
195.04462	5.4
196.05127	1.5
197.02348	0.4
198.03151	3.2
199.03893	1.3
201.05382	0.5
207.04317	0.4
210.03102	1.6
211.03957	7.0
212.04515	1.4
213.01801	0.7
214.06297	3.9
215.07040	0.4
223.03964	5.9
224.04726	6.1
225.01913	0.7
226.02615	0.6
238.02742	2.0
239.03450	11.1
240.04247	5.7
241.04655	0.5
249.02008	0.5
251.03526	2.4
252.04231	1.0
253.04884	0.6
266.02261	2.4
267.02982	33.9
268.03723	21.3
269.04089	1.7
279.02960	1.0
283.06152	2.5
295.02466	19.9
295.05814	1.0
296.03247	30.8
297.03741	2.1
311.05600	100.0
312.05960	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.14200	3.0
57.03326	20.8
58.00452	2.9
59.01263	15.3
69.03310	7.2
69.23447	2.7
70.54890	10.2
71.01245	13.1
80.02540	10.6
83.04897	10.5
85.02831	3.8
95.04932	3.7
96.95894	5.4
97.06461	9.8
99.00708	3.8
101.02287	3.6
105.94542	2.9
109.60963	3.0
111.08030	10.5
113.09607	12.7
123.08076	16.5
125.09650	28.6
125.10516	5.8
127.11183	8.5
137.09641	16.7
139.11182	10.2
141.12755	4.2
149.09613	4.2
151.03871	4.2
151.07460	6.4
151.11208	35.6
152.08302	6.2
152.11462	3.4
153.12744	4.4
155.10693	46.8
156.18350	3.0
163.11208	4.2
165.12775	34.5
167.10680	10.8
171.08760	6.3
171.10181	100.0
179.10696	8.7
179.14383	5.6
181.12270	36.2
185.10204	6.2
185.11772	86.7
186.12039	5.2
191.10732	18.3
197.11774	20.0
209.11787	75.7
209.15364	13.5
210.12154	7.3
211.13358	11.1
212.10439	4.8
227.12877	4.5
247.20619	12.8
263.20074	11.0
265.21835	7.9
273.18594	4.4
281.21182	16.7
282.21396	3.2
291.19666	59.9
292.19998	7.8
309.17072	23.8
309.20709	70.7
310.21118	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.4
57.03307	2.9
59.01243	3.2
69.03316	1.5
70.28876	3.0
70.29266	2.4
71.04897	29.1
85.22231	1.2
86.26361	1.2
95.04848	1.8
97.06492	6.9
121.10141	7.2
123.08037	1.7
125.09640	7.9
127.11169	1.4
135.08025	3.0
137.09608	26.8
171.10181	76.5
172.10551	3.6
185.11774	10.6
197.11839	2.5
207.13766	2.2
219.13820	4.5
233.15486	3.0
235.16957	4.5
237.14973	3.5
247.20674	2.1
247.52153	1.4
251.16522	27.4
252.16733	1.7
273.18463	2.5
291.19659	87.3
292.19983	8.5
309.20703	100.0
310.21054	10.0
331.51880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.7
59.01248	4.6
60.40861	1.3
63.25677	1.4
65.51472	1.3
69.03320	4.4
71.01968	2.7
71.04904	1.6
75.18178	1.3
80.05013	1.4
83.04899	2.1
86.53613	1.3
97.02843	7.6
107.08517	2.1
119.08549	17.8
125.09582	12.7
127.11151	3.4
135.08002	2.0
137.09628	35.3
138.09927	1.8
151.11163	1.9
155.10658	4.7
157.12180	1.4
165.09111	1.3
167.10635	3.1
171.10182	100.0
172.10516	6.6
181.80246	1.5
183.10184	6.3
185.10234	2.3
185.11763	27.7
195.10260	1.6
201.11253	10.6
211.13371	2.9
213.11288	6.6
224.78488	1.2
229.19576	2.2
242.64479	1.3
273.18604	7.0
291.19653	27.9
292.19977	1.7
308.32791	1.5
309.20703	32.7
310.20938	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19667	0.6
55.05393	0.6
57.03194	0.9
57.03421	1.1
57.50127	0.6
59.01071	1.4
59.01394	1.9
61.92456	0.5
62.79177	0.6
69.03461	1.2
70.34884	0.7
71.01376	1.0
72.90363	0.6
80.02669	1.1
81.03484	2.2
83.00883	1.5
83.01432	6.2
83.05070	3.3
93.03461	0.7
95.05041	1.3
97.02975	1.4
97.06651	4.4
98.03767	1.1
109.02963	0.9
111.08221	1.9
113.09764	0.8
121.10258	0.6
123.04607	2.9
123.08240	2.9
125.06152	2.4
125.09796	9.4
127.11304	1.2
135.08195	1.5
137.08873	0.7
137.09825	2.5
137.36845	0.6
139.11369	11.5
141.09259	1.5
149.09814	0.9
151.07678	1.4
151.11389	2.0
152.08490	1.0
152.23735	0.6
155.10811	1.0
163.11188	6.8
165.12767	16.8
167.10698	5.7
167.14371	0.7
168.11600	1.2
168.67012	0.7
171.10190	4.2
179.10899	1.0
181.12263	4.2
183.10303	0.7
183.13925	1.4
185.11888	2.9
191.10728	3.7
193.12415	1.4
193.15898	6.9
195.71049	0.6
197.11792	3.3
207.10345	1.8
209.11777	51.0
209.15620	1.9
210.12065	3.6
211.13506	2.0
219.17767	0.9
247.20625	14.2
248.21165	0.7
263.20230	1.2
265.21799	4.3
273.18594	4.3
281.21243	2.8
291.19659	100.0
292.20001	9.2
309.17105	2.9
309.20660	36.4
310.21027	4.0
312.30786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.7
59.01249	4.4
69.03319	5.7
69.44187	2.9
69.44595	11.5
77.26418	1.5
79.87344	1.6
81.21683	1.5
83.04880	1.5
108.05717	2.3
113.23083	1.7
119.08562	22.2
121.10111	2.5
125.09612	9.3
127.11163	4.3
135.08067	3.4
137.09619	33.0
139.11154	2.3
151.11148	2.9
155.10695	5.7
167.10669	1.8
171.10185	100.0
172.10431	3.7
183.10153	5.8
185.11763	26.1
186.11992	1.8
195.10159	3.5
197.11749	8.5
201.11330	9.5
206.78357	1.6
211.13385	2.0
213.11275	10.8
223.10031	1.7
226.20398	1.5
229.19507	3.9
259.01740	1.6
273.18658	11.0
282.16174	1.7
291.19629	29.8
292.19907	3.7
309.20700	57.9
310.21014	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01254	1.7
67.99845	0.6
71.11456	1.1
71.50724	0.6
85.69187	0.6
97.06478	2.5
103.29228	0.7
113.09605	3.2
115.07538	2.3
123.00814	0.7
125.05996	1.4
126.06771	1.1
139.11235	1.7
141.09116	3.1
149.12508	0.8
158.72472	0.7
165.12788	3.6
167.10710	1.3
167.14333	2.2
175.68575	0.6
181.12297	4.4
183.13820	1.2
193.12291	2.0
193.15961	0.8
195.13853	1.9
197.11845	1.3
211.13351	5.9
212.13681	0.7
213.14836	0.8
221.15433	2.5
229.14412	0.9
240.13660	1.8
241.14392	1.3
245.19081	1.0
247.20656	4.6
263.20126	1.1
265.21603	1.3
273.18671	3.1
281.21301	1.9
291.19653	54.1
292.19940	6.1
309.20706	100.0
310.21027	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	5.0
60.12244	2.6
70.72437	6.0
71.01244	3.7
80.02557	13.7
81.03312	4.7
83.04897	36.4
84.02040	10.9
97.06445	3.2
99.07999	7.8
111.08040	4.6
115.07559	3.8
119.77392	3.0
121.06404	3.0
123.04379	3.9
125.09593	8.2
127.11227	4.5
137.09615	54.9
139.11165	8.2
151.07524	2.9
151.11198	6.0
152.08339	4.5
153.09070	9.9
155.09523	4.1
155.10692	51.2
156.11101	2.5
165.12756	2.9
167.10651	6.3
171.10165	52.8
172.10515	4.0
173.55168	2.5
185.11842	3.3
193.12262	31.5
197.11795	8.5
209.11671	4.0
211.13284	7.2
231.26222	2.7
247.20592	9.1
263.20056	8.0
265.21716	4.2
273.18796	3.3
283.69278	3.4
291.19647	100.0
292.19922	6.8
309.17505	3.6
309.20691	89.3
310.21002	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.3
60.32174	1.1
69.49900	6.5
71.01225	0.9
76.80012	1.1
97.02802	1.9
97.06485	1.3
100.26693	1.0
100.65222	1.1
107.10622	1.1
111.07293	2.2
111.08044	39.1
112.08352	1.3
116.94266	1.1
127.07549	2.4
143.06233	1.1
148.21423	1.1
151.11240	1.3
153.09030	1.5
153.12727	2.1
165.12714	1.2
169.12260	6.3
171.10193	1.8
181.12207	2.9
183.13728	1.7
197.11766	100.0
198.12183	6.4
199.13354	3.9
209.15453	5.3
211.13312	9.6
223.16995	2.5
227.12878	4.2
251.16393	2.7
263.20142	4.7
265.18021	3.4
273.18668	1.9
291.19653	28.9
292.20035	2.4
306.80975	1.1
309.20685	40.7
310.20975	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53038	0.9
55.61715	0.9
57.03311	1.8
60.86065	1.1
67.01749	1.7
69.44875	6.5
69.45273	2.1
71.78123	1.0
97.06449	1.5
111.08073	1.2
115.79068	1.0
121.10126	12.4
123.08036	1.1
125.09621	9.8
132.39336	1.0
137.09583	2.8
160.70453	1.0
167.14301	2.1
171.10182	7.2
185.11752	10.4
197.11748	3.1
209.11765	1.4
211.13336	68.0
212.13579	5.2
223.13377	1.4
249.43231	1.1
273.18649	1.8
291.19672	100.0
292.20013	9.6
309.20621	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04147	1.4
57.03322	8.2
59.01260	3.3
62.29628	1.6
69.03340	7.5
69.81390	3.8
69.81798	5.2
71.04893	3.2
80.02534	1.6
81.03356	1.5
83.04900	5.6
85.06458	2.7
87.04408	2.4
97.02833	31.7
97.06468	2.3
98.19267	1.5
109.06476	3.3
111.04359	1.7
111.08049	2.5
119.08562	1.9
123.08098	2.3
125.09618	2.8
136.85092	1.5
137.09627	7.2
163.11224	3.1
165.09125	1.6
165.12798	8.7
167.10751	1.6
171.10208	16.0
179.14369	2.6
181.12260	3.1
183.13776	1.8
193.12271	6.4
193.15921	2.0
195.13823	12.0
197.11850	3.8
209.11772	3.8
211.13361	4.8
221.15404	9.5
223.13318	6.5
227.12819	3.8
233.15388	2.6
247.20621	9.1
251.16551	4.9
273.18567	4.2
291.19669	100.0
292.20056	11.7
309.20709	83.1
310.21057	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67945	1.3
57.03330	2.2
58.00471	1.9
59.01250	1.8
69.03325	3.8
78.66209	1.6
80.88217	1.3
83.04865	1.6
88.31516	1.3
88.37181	1.3
97.02835	1.9
97.55762	1.4
111.08045	4.6
119.08562	18.3
125.09591	7.9
127.11149	3.1
135.07996	2.3
137.09615	33.4
137.79404	1.4
138.09924	2.1
149.09645	1.6
151.11273	1.5
155.10745	3.1
167.10663	4.3
171.10182	100.0
172.10529	5.5
175.14821	1.7
183.10201	4.9
185.11777	24.9
186.12190	1.6
186.54132	1.6
195.10172	2.8
197.11739	12.0
201.11259	7.2
203.18602	1.7
211.13347	4.3
213.11298	10.7
229.16406	1.9
229.19513	2.9
273.18732	7.6
291.19678	32.8
292.19894	3.4
309.17288	3.0
309.20721	36.2
310.21024	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	2.0
59.01244	2.1
63.64625	1.1
66.27414	1.1
69.03341	1.9
71.45676	2.7
97.06462	1.4
98.37728	1.4
109.06416	1.4
111.08047	31.9
127.07549	2.2
144.38737	1.1
151.11130	1.6
153.12767	2.2
166.69374	1.3
169.12263	9.2
171.10156	2.4
181.12245	2.6
183.13815	1.4
185.79402	1.1
197.11769	100.0
198.12105	5.2
199.13411	3.5
211.13361	13.0
225.15323	1.1
227.12788	2.5
263.20178	5.1
264.20731	1.1
273.18594	1.8
291.19659	21.9
292.19992	2.4
293.92795	1.2
309.20743	26.9
310.20959	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.5
59.01263	3.2
69.03342	1.0
69.87315	4.1
71.01259	1.3
71.04889	18.5
72.66392	0.7
77.25072	0.7
81.51663	0.7
83.04910	1.2
93.07002	0.8
95.04933	1.8
97.06456	6.0
107.04926	2.2
119.08524	1.4
121.10111	12.8
123.08087	2.3
125.09607	10.5
135.08110	0.9
137.09622	23.6
137.10626	1.5
139.11182	0.9
141.12770	1.2
164.87563	0.8
171.10178	46.3
172.10492	1.6
185.11760	19.3
186.12103	1.1
197.11758	3.6
207.13809	1.8
209.11743	1.2
211.13356	1.7
219.13895	2.2
233.15491	0.8
235.17024	2.1
237.14900	2.4
247.20657	2.3
251.16508	45.9
252.16864	4.2
273.18628	2.1
291.19666	100.0
292.20004	7.7
309.20709	75.1
310.21088	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97930	1.2
57.03317	2.8
59.01239	2.7
69.03334	1.5
71.04893	18.0
72.75690	0.8
76.64625	1.0
79.71206	0.8
93.06960	1.2
95.04887	1.5
97.02850	1.2
97.06467	5.9
107.04873	1.7
119.08562	1.6
121.10115	9.4
122.10410	1.1
123.08022	2.6
125.09624	8.8
127.11201	1.0
135.08060	1.8
137.09624	23.9
138.41277	0.9
141.12718	2.0
171.10179	43.5
172.10526	1.4
174.63026	0.8
185.11754	16.5
196.18840	0.8
197.11732	3.8
207.13794	1.6
209.11743	2.0
209.15367	1.1
219.13846	1.5
223.13213	0.9
233.15468	0.9
235.17044	2.4
235.99301	0.9
237.14909	2.3
247.20618	2.4
251.13863	2.1
251.16510	42.8
252.16899	3.2
273.18671	3.1
291.19675	100.0
292.19983	8.9
292.89935	0.9
309.20718	67.4
310.20999	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	309.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68779	0.4
58.35458	0.4
59.01251	1.7
71.08620	0.7
79.95171	0.8
79.95609	10.4
80.96383	1.0
85.02779	0.6
94.97971	0.8
95.95116	1.8
96.95890	88.6
97.06411	0.4
101.02309	0.6
102.66075	0.4
107.62272	0.4
111.08018	0.8
113.02345	0.6
118.08192	0.4
122.97455	3.1
138.96976	0.6
144.52425	0.4
151.07541	1.3
152.08327	0.6
165.12770	1.9
171.10187	1.4
183.13835	0.6
197.11769	1.7
209.15355	1.4
291.19736	2.6
291.22949	0.6
309.17419	100.0
309.20441	4.3
310.17740	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47818	1.4
53.81046	1.5
57.03333	1.8
59.01234	2.8
67.01742	1.7
69.03319	9.2
70.55640	2.9
75.54021	1.5
81.10429	1.3
82.71676	1.4
83.04888	4.4
85.02822	6.2
95.04845	1.9
97.02831	79.3
98.03146	2.1
109.06463	1.7
111.08021	2.9
112.10690	1.4
119.08554	7.5
121.10155	1.4
125.09607	3.2
137.09608	30.7
149.09572	1.7
151.03897	2.8
151.07507	3.4
152.08319	3.5
155.10661	2.7
171.10181	62.5
172.10477	3.2
177.12708	3.8
185.11743	5.5
193.12215	1.3
193.15814	1.6
195.13878	4.1
197.11728	2.0
199.42957	1.7
201.11301	2.4
209.15402	4.2
211.13324	5.8
221.11781	7.3
239.12849	5.6
247.20837	2.1
265.17969	1.8
273.18613	6.4
291.16461	1.3
291.19638	34.0
292.20038	4.3
309.17157	6.7
309.20682	100.0
310.21033	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.90741	0.7
59.01241	1.7
71.01249	1.4
113.79241	0.7
128.56602	0.8
144.06529	0.7
151.07939	0.8
153.88405	0.7
161.04485	0.8
172.71796	0.7
307.10397	1.8
307.22787	100.0
308.23215	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	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
54.75549	1.0
57.03323	1.0
59.01253	8.2
69.62037	6.6
71.01246	4.9
73.02824	1.5
82.06181	1.0
83.04879	1.1
85.02800	2.1
89.02300	1.2
95.04908	1.3
101.02321	1.5
121.06476	1.2
124.60400	1.0
125.09627	1.4
161.04457	2.6
176.01184	1.4
177.12807	1.4
179.14348	5.9
195.13905	2.2
205.12274	1.1
205.15891	4.4
223.13310	7.2
231.21080	6.3
275.20154	100.0
276.20493	11.2
289.18237	1.9
291.09158	2.2
307.10394	3.6
307.19489	2.6
307.22781	62.8
308.23132	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.31950	0.6
51.76664	0.6
55.01752	1.5
57.03320	2.0
58.00468	3.2
59.01253	63.9
69.69959	3.7
71.01259	31.6
71.01589	0.6
71.01659	1.1
71.04878	4.0
72.99174	2.2
73.02807	3.0
75.00738	2.9
82.71458	0.7
83.01273	2.8
85.02824	9.2
87.00777	1.6
89.01752	1.4
89.02317	28.4
95.01270	1.7
97.02850	0.9
99.00728	1.1
99.04395	5.7
101.02325	20.4
101.05959	2.7
113.02324	13.1
119.03401	11.9
124.85013	0.7
128.19693	0.7
129.05484	8.4
131.03453	0.7
131.07025	0.8
143.03372	1.1
147.06534	30.2
148.06931	1.1
149.04437	1.1
149.05991	2.1
161.04443	3.1
165.05464	0.7
179.05600	1.3
221.08153	1.2
235.20995	0.8
237.06149	1.3
304.82928	0.8
309.11917	100.0
310.12323	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50383	2.6
57.03316	4.5
59.01242	6.9
67.01758	2.8
69.26047	23.9
79.29428	3.2
81.03355	3.8
83.01262	7.1
84.37310	2.7
97.02804	4.9
97.06468	9.6
98.19827	4.8
123.04400	7.5
123.08009	4.0
125.09602	15.9
137.09612	9.5
163.11205	16.3
165.12804	3.6
179.10652	3.5
185.11716	24.2
191.14339	21.7
207.10181	7.6
209.11775	34.2
217.15997	3.5
225.11255	12.5
245.19093	45.3
247.17024	3.0
263.20096	5.3
271.16998	6.1
289.18100	100.0
290.18481	10.4
307.19128	55.0
308.19540	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03318	9.0
59.01237	7.6
67.19703	2.3
69.03301	2.7
70.66817	6.2
71.01257	6.8
71.04885	2.6
81.26392	2.4
83.04874	4.4
85.00311	2.3
95.04917	2.5
97.06463	16.0
109.06427	4.9
111.08022	9.0
123.04379	5.7
123.08028	2.3
125.09574	4.5
137.06030	2.6
149.09671	3.7
149.57257	2.1
151.11208	17.6
153.09061	2.7
155.10692	13.1
163.11179	5.3
165.12772	22.2
167.10686	3.1
169.12186	3.4
175.35677	2.1
177.12723	3.6
179.10667	5.1
181.12247	26.7
191.10686	6.9
191.14340	8.0
197.11839	3.9
205.12408	5.4
209.11786	51.3
211.13362	5.6
217.16078	2.3
224.10437	3.1
235.20750	2.5
245.19095	35.1
253.84526	2.8
262.03375	3.1
263.20142	11.2
271.17004	4.8
279.19684	5.4
289.18100	52.3
290.18323	2.8
307.19153	100.0
308.19617	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76199	1.3
55.01752	4.3
57.03318	4.9
61.90151	1.4
65.03836	52.1
66.04169	1.6
68.10464	1.4
71.04895	33.2
72.69772	1.4
95.04883	1.6
97.06470	68.2
98.06821	2.2
102.07042	1.5
119.08542	10.6
121.06485	100.0
122.06796	3.3
123.08076	3.6
125.09622	37.8
137.09625	3.0
141.12830	2.2
142.12398	1.6
143.78558	1.4
157.98653	1.6
185.11760	89.1
186.12106	1.8
209.08810	1.9
209.11778	33.8
211.13326	38.0
212.13644	1.8
235.13361	94.3
236.13722	4.8
271.17099	1.5
289.18076	19.5
307.19110	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39942	0.7
55.01761	3.7
57.03318	4.5
59.01247	1.0
60.11623	0.8
65.03835	62.2
66.04165	1.6
68.28658	0.6
69.03337	1.3
69.21523	7.0
71.04890	37.3
76.48505	0.6
78.18022	0.7
79.21217	0.8
79.78738	0.8
83.04898	2.9
93.03349	3.2
95.04900	1.5
97.06467	67.3
98.06806	1.8
106.04189	0.9
109.06483	2.0
117.07002	2.4
119.08552	14.7
120.08876	1.0
121.06481	100.0
122.06844	3.1
123.08054	3.4
125.09615	41.3
126.09948	1.4
135.08051	11.8
137.09586	4.4
141.12782	2.5
157.40303	0.7
163.11259	1.2
165.12721	0.7
167.14392	1.1
169.08629	0.8
171.10167	8.2
173.13248	0.8
185.11758	78.2
186.12128	3.1
209.11766	35.0
210.12106	2.4
211.13336	37.0
212.13620	1.3
217.12312	1.8
233.15404	1.7
235.13359	91.1
236.13696	5.6
249.14828	1.5
271.17126	1.7
279.19632	0.9
289.18097	23.4
290.18478	2.4
307.19128	25.6
307.22638	1.4
308.19562	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.5
59.01242	4.5
67.01752	1.4
69.03330	2.0
71.40146	2.3
80.02536	2.4
81.03332	3.9
82.75523	1.4
83.01257	6.0
83.04905	3.2
86.60027	1.3
95.01314	1.6
95.04891	4.4
97.02822	5.5
97.06474	6.7
109.06476	3.5
110.03596	1.9
114.09251	1.3
115.57175	1.4
120.96115	1.3
121.06475	3.3
123.04440	9.3
123.08058	5.1
125.09623	15.5
126.24555	1.3
128.37048	1.4
135.08104	2.2
135.82169	1.3
137.09654	9.8
141.12801	1.6
149.06006	1.6
153.12726	1.5
161.09650	1.9
163.11211	14.3
165.09151	1.8
165.12814	2.0
171.10161	2.3
173.09622	1.8
179.10733	1.7
181.12227	5.2
185.11758	19.8
191.10666	1.7
191.14359	19.2
192.14685	1.7
196.15196	1.4
207.10222	10.4
209.11784	27.1
210.12201	2.5
217.15913	3.2
225.11267	9.6
245.19080	40.5
246.19467	2.6
247.16942	2.2
263.20123	1.7
263.63318	1.4
271.17078	2.7
283.96674	1.6
289.18106	100.0
290.18423	7.2
307.19171	56.6
308.19449	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	10.5
59.01262	12.2
67.01759	1.8
69.03314	3.8
71.01258	13.7
71.04905	2.7
73.02825	2.0
81.03335	3.6
83.04897	6.9
85.02825	2.8
93.06950	2.2
93.73938	1.6
95.04894	6.6
97.02827	1.8
97.06471	22.2
107.04904	1.7
107.08508	2.1
109.06477	5.3
111.04368	1.9
111.08025	14.7
121.06480	4.9
122.39175	1.7
123.04392	3.8
123.08064	3.5
125.09647	8.9
135.08028	3.9
137.05962	3.5
137.09633	4.7
138.06789	3.4
139.07523	2.8
139.11224	2.2
149.09601	4.3
151.11194	28.2
153.09125	4.3
153.12759	5.2
155.10693	13.7
155.11778	2.3
155.77293	1.6
161.09544	2.7
163.07516	2.0
163.11191	7.6
165.09312	1.5
165.12764	32.1
167.10732	7.4
169.12224	4.3
171.10196	6.1
177.12788	6.7
179.10709	10.6
181.12282	31.4
185.11769	8.8
191.10716	14.8
191.14343	8.8
195.10240	2.9
197.11723	3.5
205.12318	5.1
207.10075	2.8
209.11774	63.9
210.12161	4.4
211.13341	15.7
217.15924	2.9
224.10443	2.5
224.52675	1.8
225.11235	2.5
235.20497	2.2
239.09100	3.0
245.19083	45.7
245.21619	2.7
261.18582	5.1
263.20166	16.5
271.16971	7.2
279.19638	6.6
289.18112	62.8
290.18420	4.2
307.10425	3.0
307.19153	100.0
308.19421	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97890	0.5
57.03335	0.5
59.01255	3.1
71.01251	1.8
71.29744	0.4
71.53516	0.8
73.02814	0.8
73.73783	0.5
74.98951	4.5
75.96057	0.4
85.02807	1.3
89.02274	0.7
91.02076	2.3
93.00019	3.4
94.02512	0.4
97.06469	0.7
101.02342	1.1
102.07272	0.5
107.15187	0.5
118.34470	0.6
121.06453	0.9
124.64432	0.5
125.09585	0.6
135.04398	0.6
147.76494	0.6
149.00839	3.1
159.08366	7.3
161.04434	1.2
161.06329	2.5
163.11218	0.6
185.11739	0.7
192.98029	0.6
198.07648	0.5
206.99657	1.5
209.01260	2.6
211.13367	0.6
212.40605	0.5
217.07216	1.2
223.02794	51.8
224.02890	4.2
235.13245	1.1
241.03860	1.3
245.19160	0.9
253.12239	0.5
275.06189	0.8
289.07410	1.4
289.18134	3.0
291.09113	100.0
292.09219	13.1
307.09882	0.6
307.12534	1.2
307.19269	2.3
309.10120	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.9
59.96613	0.3
71.00594	0.2
71.01267	0.8
74.98531	0.3
74.98948	5.8
74.99358	0.4
75.96113	0.5
85.02858	0.2
87.28854	0.2
89.02294	0.2
91.02084	2.6
93.00015	3.1
97.06444	0.3
134.90074	0.3
149.00859	3.4
159.08374	6.9
160.08632	0.3
161.04425	0.6
161.06316	2.1
191.03374	0.2
192.98091	0.7
206.99657	1.6
209.01221	3.0
217.07179	0.8
223.02794	51.1
224.02820	4.4
225.00609	0.5
241.03889	1.3
275.05945	0.8
289.07458	1.7
289.18152	0.8
291.09097	100.0
292.09216	10.8
307.12497	2.6
307.19113	1.4
307.22424	0.3
307.53271	0.2
308.12323	0.3
309.10211	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81214	1.1
57.03339	1.1
59.01257	2.2
71.04897	5.7
80.02515	1.2
81.03335	1.6
83.04889	2.5
95.04910	2.3
98.03622	2.3
106.04107	1.3
109.02796	1.0
109.06479	12.8
111.04404	7.0
111.07977	1.1
112.05173	1.1
123.08080	1.7
127.07567	3.1
137.09639	1.5
143.10666	1.9
145.06503	3.4
167.10724	2.8
167.97273	0.9
168.77840	1.2
177.12689	1.5
179.10703	1.6
187.01942	0.9
188.78882	1.0
191.14285	1.3
195.13805	3.9
235.13376	2.1
245.19069	7.1
251.16428	1.2
287.16580	2.8
289.18091	100.0
290.18494	7.3
307.19098	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01242	1.7
70.19753	3.6
70.20123	2.6
98.20498	1.3
104.39314	1.2
142.38812	1.2
157.53787	1.3
168.71851	1.4
305.24863	100.0
306.25223	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	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47096	0.7
59.01246	2.3
68.99690	0.8
69.49248	5.6
71.01248	1.9
75.38017	0.7
83.01253	1.0
85.02819	1.6
87.00748	4.0
91.05418	3.7
92.76066	0.8
95.04905	1.5
97.06464	2.7
98.20578	1.6
103.05391	1.2
105.03342	4.3
108.02073	1.6
110.17896	0.7
119.04916	2.4
121.02799	1.4
133.02815	1.4
135.04454	1.3
137.02356	9.6
138.03105	1.5
139.03899	4.1
145.06485	2.2
146.03661	0.9
147.04425	54.4
148.01535	3.4
148.05220	16.4
149.06021	8.3
151.03897	4.1
161.02328	1.7
161.04497	1.2
161.05966	2.4
163.03931	12.8
172.05237	2.2
173.05980	2.5
174.03107	2.9
175.03925	1.4
177.01878	1.9
178.06187	0.9
179.03358	1.4
189.05501	100.0
190.05875	5.9
191.03424	2.3
192.04204	9.2
193.04979	7.4
193.08591	2.5
194.05727	0.9
203.03397	5.5
203.07098	9.1
204.07774	4.8
207.02960	1.4
207.06532	2.2
217.05032	3.0
218.05887	0.8
219.08286	1.6
219.10214	21.5
220.10417	0.9
221.04488	1.4
235.06082	2.3
263.09235	53.2
264.09586	4.3
289.10724	2.2
307.08203	2.9
307.11703	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03318	2.0
59.01256	11.3
64.02059	1.8
68.99687	2.7
69.03329	2.0
69.83108	6.3
69.83511	2.6
71.01241	5.3
81.03330	6.3
83.01256	3.0
83.04887	3.5
83.82864	1.9
85.02810	3.4
93.03336	5.3
95.01284	4.8
95.04933	5.5
97.02895	2.4
97.06467	11.0
98.20528	4.0
101.02332	3.0
101.86642	2.0
106.04106	2.4
107.04918	2.6
109.02847	8.2
109.06470	4.5
113.02359	2.8
121.02849	2.2
121.06499	3.2
123.00779	3.5
123.04392	3.5
123.08060	3.1
125.02322	3.9
125.05972	13.8
127.07519	9.9
133.10110	2.3
135.04453	4.1
135.08076	4.4
136.05244	2.7
138.06783	6.1
149.02278	3.3
149.09621	6.3
151.11198	4.9
153.09077	3.2
167.10725	4.3
175.11194	2.4
176.31157	2.0
177.09143	2.6
179.10707	4.7
189.12831	8.6
189.98987	3.1
193.12273	4.6
195.13844	29.4
201.12822	2.4
205.01305	4.1
223.13319	3.5
231.02992	5.3
231.13969	4.7
233.19153	3.1
243.17506	48.1
244.17894	3.3
250.12056	14.1
259.16876	5.0
261.18625	9.4
269.15475	3.3
277.18240	3.1
287.16498	47.5
288.16815	3.7
305.17606	100.0
305.21094	7.0
306.17935	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
50.30885	0.8
50.50127	0.8
50.50369	0.7
53.43686	0.8
55.01749	0.9
57.03309	1.2
58.02839	0.8
59.01250	5.0
69.96602	3.2
69.96976	1.5
71.04896	46.7
80.02528	1.7
81.03321	3.4
83.04881	1.8
93.03326	3.5
95.04907	19.3
96.05241	0.8
97.02754	0.9
97.06466	1.5
98.19834	0.8
106.04124	2.1
107.04921	2.5
109.02833	1.1
109.06486	18.4
111.04390	1.9
119.04922	1.2
119.05715	1.0
121.06481	7.0
122.03628	1.8
123.04446	0.9
123.07999	1.0
125.05949	1.2
127.07513	2.8
132.05688	1.2
135.08072	2.8
136.05161	0.8
138.64348	0.8
139.07510	1.9
147.04414	2.4
147.08067	4.9
149.05992	1.4
149.09605	1.2
150.06738	1.8
153.09114	0.9
161.05997	3.5
161.09731	1.8
164.08359	1.3
165.09146	12.7
167.10693	1.4
169.14124	0.9
173.09644	1.3
179.14273	1.1
189.12772	16.5
190.13179	1.2
203.14444	0.9
205.15926	11.5
215.10645	0.9
231.13907	2.7
233.11792	8.6
243.17509	11.6
244.18040	1.1
245.15634	1.1
247.13344	0.8
249.14944	14.1
250.15404	1.5
261.18628	3.1
263.16537	1.6
269.15475	2.4
287.16537	79.6
288.16904	7.0
305.17596	100.0
305.20636	3.5
306.17911	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	305.176
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01747	1.8
56.72894	1.7
57.03328	3.1
57.73641	1.9
59.01252	17.4
64.44921	1.7
69.03308	2.0
71.01271	3.9
71.04895	19.6
73.02808	7.7
78.60119	2.2
78.85587	1.7
83.04893	3.3
85.02824	2.9
95.04927	4.2
97.02812	2.7
97.06479	8.0
99.04396	100.0
100.04759	3.8
106.04149	2.8
107.04877	2.0
107.08530	2.6
108.02034	1.9
109.06467	4.2
112.05160	2.8
119.04901	1.9
121.06474	3.1
121.65327	1.8
123.04414	2.4
123.08042	22.4
125.05996	10.2
125.09608	4.0
133.02817	2.7
133.10138	2.6
135.08041	20.6
137.09691	2.8
149.09659	12.3
161.09602	5.7
161.13315	3.4
173.09566	2.0
175.11276	3.0
177.01869	2.2
185.11635	3.6
189.12903	4.1
193.12222	6.0
195.13834	2.0
205.01357	4.9
205.12228	5.6
217.98442	2.6
219.13843	11.4
221.08585	1.8
231.03020	3.9
231.13907	3.0
233.01021	2.2
243.17505	50.5
244.17883	3.3
246.05319	2.2
249.14935	6.8
261.07629	4.5
261.18634	5.3
263.16675	2.2
269.15411	9.3
287.16525	82.2
288.16904	6.9
305.17618	93.9
305.21048	4.3
306.17923	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
51.14811	0.4
51.58290	0.5
55.01775	1.1
57.03321	1.6
59.01259	2.4
65.03842	0.8
68.99686	1.1
71.01273	0.8
71.04898	5.3
79.05414	4.9
80.02573	0.7
81.03364	1.1
81.12566	0.6
83.04897	0.8
85.02856	0.5
93.03352	1.4
93.06960	0.8
94.04136	1.2
95.04893	3.3
97.06464	5.9
98.20540	1.7
104.50344	0.5
106.04133	4.4
107.04932	3.4
108.02110	0.5
109.06479	2.7
117.06981	5.6
119.04925	1.0
120.05714	7.2
121.02876	0.8
121.06485	1.8
123.08057	3.4
125.09623	15.6
126.09973	0.7
133.06499	1.0
135.08061	100.0
136.08385	4.6
137.09566	0.9
151.11151	1.1
161.06067	1.3
161.09698	1.0
162.06740	0.6
163.11203	0.8
165.09192	1.0
167.10660	0.5
169.08607	0.7
176.08362	0.7
177.01863	0.6
184.62312	0.6
185.11781	3.3
189.01877	1.0
189.12787	2.1
205.01447	0.7
205.15936	3.5
207.10170	0.9
209.11839	1.5
211.13306	0.9
221.11719	0.9
229.16406	0.7
231.03008	3.3
231.13884	0.7
233.11757	1.2
243.17554	3.0
246.05370	1.4
249.14929	20.3
250.15138	1.5
261.07693	2.6
261.18585	1.3
262.08105	0.9
263.16541	2.7
269.15393	1.2
287.16534	17.5
288.16943	2.0
305.17584	62.9
306.18051	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.43964	0.5
57.03324	2.7
59.01243	1.6
65.03816	3.1
69.03321	1.5
69.52030	3.9
71.04890	7.2
75.18066	0.6
78.32721	0.6
79.05396	13.3
80.05727	0.5
81.03379	0.6
83.04886	0.8
93.03354	1.9
94.04160	0.6
95.04900	1.7
97.06467	16.7
98.06821	0.6
104.81738	0.5
106.04130	8.7
107.04923	3.1
109.06451	2.6
111.08039	0.6
117.07004	1.5
119.04887	1.1
120.05695	5.5
121.06525	3.1
123.08057	6.9
125.09618	17.4
125.53197	0.7
133.06500	2.0
135.08054	100.0
136.08394	3.8
137.09631	1.7
145.85628	0.5
149.02373	0.5
149.09590	0.6
151.11194	3.2
158.07355	0.6
162.06776	0.9
163.11177	1.8
169.08626	0.7
177.12698	1.1
178.05199	0.5
182.08298	0.6
183.10138	1.2
185.11751	2.6
189.12743	1.2
205.15909	6.2
207.10226	2.5
209.11798	2.0
221.11787	1.7
226.62773	0.6
231.02911	0.7
231.13860	2.3
233.11781	1.6
235.13589	0.6
243.17613	1.0
247.13100	0.6
249.14929	50.2
250.15329	4.0
261.07907	0.8
263.16544	2.5
269.15442	2.2
287.16534	5.5
288.17038	0.9
305.17587	61.3
306.17889	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	305.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09415	1.1
52.00610	1.0
53.72202	1.2
55.42753	1.1
59.01260	6.4
67.65474	1.0
69.38342	8.6
77.39241	1.1
85.02831	1.4
93.03354	2.3
97.06481	1.3
109.02843	3.7
119.04924	2.7
121.02840	10.6
121.06448	1.4
122.03650	7.6
125.09608	2.5
133.02873	6.7
135.04466	3.1
136.05226	1.3
137.02345	68.7
138.02652	2.0
139.03915	22.9
144.05760	1.9
145.02853	4.6
146.03644	5.2
147.04419	100.0
148.05214	57.8
149.05794	3.4
151.03909	3.4
158.03676	1.3
159.04425	27.0
160.05246	6.8
161.02321	1.4
161.04631	1.1
161.05969	5.6
162.06824	5.6
163.03928	12.8
164.04668	4.9
166.09756	1.0
172.05205	1.9
173.05978	12.4
174.03181	1.1
174.06703	1.0
175.03990	1.4
176.08289	1.7
177.09123	3.1
178.23305	1.3
187.07597	3.5
188.04776	1.2
188.08385	2.4
191.10690	1.1
192.04208	64.1
193.04840	3.2
199.11217	10.8
201.09204	5.7
207.02925	6.8
207.57771	1.2
208.03516	1.2
215.10678	1.6
217.12283	62.8
218.12605	5.1
224.03233	3.8
236.03296	5.8
243.10228	1.3
261.11301	50.3
262.11670	3.2
305.10336	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	305.1145
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
54.58164	0.3
59.01239	1.4
65.99706	0.9
71.01246	0.9
71.52855	0.4
72.99171	0.4
82.02859	3.6
85.02834	0.4
87.00729	0.4
89.02316	0.5
93.03310	0.5
94.02869	2.1
95.92326	0.3
96.04430	3.4
97.02847	0.6
105.04531	0.3
110.06022	0.5
111.04391	0.5
120.04443	1.0
122.03621	4.1
122.06001	1.7
135.04395	0.4
136.03934	1.6
137.02365	0.4
138.05505	100.0
139.05826	2.9
149.05949	0.6
159.04420	0.5
161.04581	0.5
173.04562	0.3
173.05997	0.5
174.05536	0.7
177.01938	0.4
185.06056	0.4
188.07106	0.9
189.09213	0.8
190.08665	0.5
191.10759	0.5
202.08649	0.5
214.06221	0.4
215.08521	0.3
215.10701	0.4
216.10303	1.1
217.06288	0.6
217.08629	0.6
218.02811	0.6
218.06889	1.8
218.11806	1.2
233.09349	4.7
243.10223	0.8
244.09822	1.0
245.09271	0.7
261.12454	8.1
262.12872	0.5
262.78262	0.4
287.10361	1.2
297.06937	0.4
305.06622	1.3
305.11441	12.1
306.11792	0.6
312.74274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32083	1.8
55.69598	1.9
57.03325	15.3
59.01239	5.8
65.00182	5.2
67.01750	8.9
68.99670	2.2
71.01247	1.8
71.52703	2.3
71.64350	1.6
73.02799	1.7
79.96181	1.8
81.03346	3.1
83.01239	5.9
85.02818	3.6
87.00755	11.1
91.01763	5.1
93.03355	4.5
95.01262	27.8
95.04899	3.2
107.01257	2.3
107.48555	1.6
109.01608	2.4
109.02843	22.6
111.00745	1.9
121.02831	5.0
122.02364	1.9
122.03616	6.4
123.04418	13.3
124.01524	3.6
125.02339	88.2
126.02695	2.5
130.99716	2.7
133.02852	17.2
136.07555	2.6
137.02333	5.9
139.00215	1.8
143.04980	2.3
145.02858	2.2
145.06448	2.3
146.03625	2.1
147.04410	7.7
149.02328	8.6
149.05968	4.4
150.03146	9.5
150.06317	2.1
151.00307	8.7
151.03984	9.0
152.01060	4.2
153.01843	8.7
157.49899	1.9
158.03604	3.0
159.04463	18.6
160.05083	2.2
161.02359	9.2
161.05904	1.8
162.03017	2.9
163.03883	6.9
163.07550	2.2
169.06461	3.0
171.04417	6.5
171.08089	4.9
172.05173	4.8
173.02332	2.0
173.06010	13.1
174.03157	4.7
174.06650	2.7
175.03926	21.2
175.07567	3.1
176.04652	3.5
177.01875	16.7
178.99791	5.4
179.07068	2.0
181.01271	1.8
183.04466	2.0
184.05051	2.2
185.05948	7.2
186.03133	3.4
186.06781	2.0
187.03868	9.6
187.07574	24.4
188.04678	6.5
188.07890	2.6
189.01825	2.8
189.05424	7.3
189.09166	2.4
190.02644	1.9
191.03566	2.2
193.05052	4.0
197.06018	30.0
198.06425	2.9
199.03940	10.9
199.07526	2.2
200.04784	4.1
201.01895	3.4
201.05522	14.3
201.09215	3.0
201.11095	2.1
202.06139	5.3
203.03365	4.5
203.07056	4.0
205.08661	5.3
211.03946	3.2
212.04634	3.4
213.05507	16.3
213.09056	3.0
214.06142	3.0
215.03654	1.9
215.07082	52.2
215.10646	5.7
216.04280	1.8
216.07753	8.6
217.05051	11.5
217.08565	11.9
218.05684	2.1
229.04974	7.8
229.08707	2.4
230.05829	13.1
231.06531	4.2
231.10191	6.0
233.08202	3.0
241.05060	8.4
241.08638	8.2
243.02731	3.7
244.07372	4.9
259.06073	100.0
259.09943	18.5
260.06317	8.1
275.05624	6.1
275.09070	3.0
275.55560	1.8
285.04050	46.3
286.04446	2.5
288.06180	2.6
303.05087	10.6
303.08786	27.8
303.21671	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	301.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.5
59.34740	0.3
60.04921	0.4
69.33957	2.8
69.93230	0.3
71.01276	0.3
80.04922	2.8
83.01261	0.4
85.94078	0.3
87.00756	0.4
94.06521	0.6
96.08073	0.7
97.01611	0.5
97.99915	0.4
99.92267	0.3
106.06510	6.5
107.23977	0.4
108.04439	24.5
109.04709	0.4
120.04433	0.7
121.02846	0.7
121.05224	3.1
122.06017	1.5
124.07578	12.6
125.07966	0.4
134.03638	0.4
135.04427	0.6
135.61018	0.3
136.07587	51.1
137.02350	2.2
137.07979	1.7
137.08810	0.3
140.07143	0.6
149.02487	0.4
149.05963	1.2
150.03120	0.4
150.05513	3.2
151.00336	0.9
151.03928	1.0
153.17967	0.4
168.06572	1.3
172.07672	0.4
183.13838	0.9
211.13332	1.1
213.13985	0.9
214.12302	1.1
224.09433	0.8
227.08170	1.0
228.08951	1.2
239.11792	1.8
242.10498	1.8
257.12939	100.0
258.13287	6.9
273.07758	0.8
301.03558	1.2
301.07205	1.3
301.11835	7.2
302.12140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33720	0.2
59.01255	1.0
71.01236	0.3
88.44517	0.2
89.02357	0.4
91.03883	0.7
107.43883	0.2
111.08026	0.3
123.00829	0.2
130.34167	0.1
165.12764	3.6
183.13831	100.0
184.14174	5.2
185.06036	0.3
196.05344	0.2
200.61044	0.2
209.11758	2.2
210.12097	0.2
211.04117	0.2
212.04744	0.5
224.04718	0.4
227.12839	4.3
239.03461	0.3
240.04198	2.5
241.04973	1.7
242.05664	0.3
252.04158	0.4
257.08044	0.9
268.03772	1.1
283.06131	3.1
295.57791	0.2
301.07224	1.9
301.16602	9.0
302.07413	0.3
302.16849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.06408	0.2
60.97371	0.6
62.84872	0.2
65.45222	0.2
66.01850	0.2
69.23766	1.3
69.24190	0.4
74.98944	0.5
82.84892	0.2
85.75600	0.2
98.20514	0.4
118.96187	0.5
134.99304	5.1
136.97238	1.9
141.07318	0.3
143.05235	0.5
146.03218	0.2
147.03413	0.2
150.98790	0.3
159.08385	1.6
161.06310	6.2
201.03992	0.5
203.05595	3.2
205.03618	1.1
215.05589	0.8
217.07166	77.8
218.07283	6.2
222.94952	0.2
235.08182	0.4
236.86188	0.2
260.72653	0.2
261.06201	1.1
283.11951	0.5
283.15317	0.2
285.13480	33.3
286.13663	3.4
288.80215	0.2
301.16608	100.0
302.16782	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13660	0.3
58.02850	41.7
70.05161	1.3
96.96580	0.3
98.19683	0.3
111.99084	0.3
129.50308	0.3
168.13857	100.0
169.14198	4.4
209.81999	0.3
212.12830	3.8
221.67589	0.3
304.15887	0.4
304.19199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08484	2.1
59.01250	6.1
59.88095	1.7
68.40488	1.4
68.99693	3.3
70.01460	8.0
71.01253	1.8
76.71127	1.5
81.98554	1.4
82.33350	1.8
85.02816	2.7
87.04401	3.1
93.03336	2.0
95.04938	4.7
109.02805	2.4
115.03902	5.3
118.60579	1.6
121.02856	6.9
122.03668	7.9
124.01637	2.1
125.02315	2.7
133.02872	8.1
135.04408	2.1
137.02348	96.5
138.02710	3.5
139.03912	31.4
140.04282	1.7
143.03311	2.5
145.02852	2.0
146.03627	2.3
147.04427	100.0
148.05215	68.6
149.05537	2.9
151.03877	2.0
161.02365	2.2
161.04503	2.1
161.06021	2.0
162.03418	1.9
162.06795	7.1
163.03928	13.0
164.04709	6.7
165.01892	1.7
166.69765	1.9
177.01764	2.8
177.09132	2.0
178.60350	1.7
178.85751	2.0
179.03346	2.4
179.16119	1.6
181.72354	1.8
188.08304	2.6
189.05460	11.2
192.04210	85.4
193.04605	4.9
203.03424	2.8
203.07048	3.7
207.02940	10.1
207.06609	2.0
215.10768	2.4
217.12286	29.0
224.03163	9.8
231.02914	7.3
231.06578	3.9
236.03241	17.6
246.05386	3.7
261.07742	7.7
261.11310	40.9
262.11646	5.7
287.16467	2.7
305.06812	3.6
305.10239	8.9
305.17606	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	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09103	0.6
65.03845	3.2
67.01768	1.1
69.26348	5.9
69.26675	1.0
73.13714	0.6
91.05413	14.2
92.05741	0.9
93.03323	3.5
94.89812	0.6
95.01286	0.8
97.60780	0.6
108.02044	3.8
109.02838	37.7
110.03180	1.4
111.00729	0.8
113.53308	0.6
119.04915	1.0
121.02847	8.6
122.03160	0.8
123.04424	0.9
124.01591	1.1
133.02858	0.8
134.80406	0.7
135.04416	100.0
136.01590	1.2
136.04747	3.8
137.02328	2.9
138.03122	7.9
138.63243	0.6
139.03926	2.0
145.02884	0.7
147.04420	20.2
148.04826	0.9
149.02347	6.3
151.03932	2.3
152.04727	1.3
153.05473	16.3
161.02443	1.0
161.05974	1.1
162.03163	1.2
163.03902	1.8
164.04710	5.1
176.04709	0.9
177.05498	3.1
179.07047	10.9
183.13829	17.7
184.14207	1.0
185.06021	1.5
186.06789	0.6
187.04036	0.7
199.07558	1.5
201.05484	0.9
203.07104	1.1
210.06732	1.5
211.04030	0.9
212.04750	3.9
213.05602	0.7
216.07921	0.9
223.51813	0.6
225.05573	1.0
225.09184	1.5
227.03481	0.8
227.07057	7.0
227.12772	0.9
229.04999	1.3
233.11734	1.0
241.08707	0.8
242.09262	0.8
243.02827	0.7
243.06680	1.2
244.07579	0.9
253.05096	2.4
254.05843	7.6
255.06602	2.9
256.03711	2.4
259.09775	1.0
268.07404	1.3
269.08167	14.3
270.08484	1.2
271.06079	7.4
283.09756	1.5
286.08481	3.2
301.10812	96.5
302.11166	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	301.1082
Annotation	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
58.82111	0.3
63.30857	0.3
65.03837	3.4
67.01763	1.0
67.63315	0.3
71.85629	0.3
83.01264	0.6
89.85932	0.3
91.05407	14.2
93.03333	2.9
93.58643	0.3
95.01261	0.5
98.19787	0.8
103.05447	0.5
105.61732	0.4
107.04916	0.8
108.02060	3.2
109.02837	31.9
110.03176	0.6
111.00739	0.4
117.65522	0.4
119.04930	0.9
121.02838	8.4
123.04402	1.1
124.01562	0.7
125.02327	0.5
133.02855	0.8
135.04414	100.0
136.01556	0.9
136.04759	3.4
137.02354	3.3
138.03133	6.6
139.03894	1.2
145.02905	0.3
147.04417	17.7
148.04895	0.9
149.02344	5.7
151.03908	1.9
152.04663	1.1
153.05484	11.4
154.05740	0.5
159.04414	0.4
161.02364	0.8
161.05980	0.7
162.03125	1.2
163.03934	1.4
164.04707	5.7
177.05479	2.3
179.07045	11.5
181.06496	0.4
185.06012	1.4
186.06723	0.5
187.03914	0.7
187.07506	0.5
199.07590	1.7
200.08319	0.4
201.05496	1.1
203.07094	1.5
209.06033	0.8
210.06689	1.7
211.03970	0.9
212.04767	2.6
213.05411	0.6
216.07895	0.6
217.19765	0.4
225.05498	0.7
225.09142	1.2
226.06319	1.0
227.03520	0.4
227.07056	5.2
229.05023	1.6
233.11826	1.4
239.03375	0.4
239.07082	0.5
242.09508	0.8
243.06598	0.6
244.07368	0.6
253.05048	2.0
254.05797	5.5
255.06602	1.6
256.03784	1.5
259.09622	0.9
268.07327	0.9
269.08173	9.9
270.08560	0.9
271.06058	4.7
272.06461	0.5
283.09717	1.0
285.07605	0.4
286.08514	1.7
301.10800	73.6
302.07941	0.6
302.11154	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	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15363	0.2
65.03831	3.5
67.01768	0.9
68.99693	0.3
70.39369	0.8
80.02544	0.3
80.44142	0.2
82.18652	0.2
91.05412	15.5
92.05740	0.5
93.03342	3.5
95.01281	0.5
95.71281	0.3
100.82789	0.2
103.05391	0.2
105.03336	0.3
107.04910	0.7
108.02052	2.1
109.02842	24.6
110.03176	0.7
111.00801	0.5
119.04924	0.6
121.02851	7.2
123.04379	0.5
124.01562	0.7
125.02331	0.2
133.02863	0.7
135.04419	100.0
136.01581	0.6
136.04761	3.6
137.02356	1.9
138.03133	4.7
139.03906	0.9
146.03694	0.3
147.04424	11.7
148.01514	0.2
148.04710	0.3
149.02350	5.2
149.03548	0.3
151.03905	1.6
152.04684	0.8
153.05492	8.7
154.05812	0.3
157.06570	0.2
159.04390	0.4
161.02354	0.3
161.05981	0.3
162.03177	0.9
163.03944	1.0
164.04709	4.7
174.03049	0.4
177.05519	1.8
179.07062	10.1
180.07402	0.5
185.06027	0.9
187.03918	0.5
196.16870	0.2
199.07591	0.8
200.15855	0.2
201.05495	0.8
202.02559	0.4
203.07086	0.7
209.06126	0.4
210.06783	0.9
211.04068	0.4
211.07529	0.3
212.04749	2.2
213.05504	0.5
215.03490	0.2
216.07796	0.4
225.05460	0.8
225.09129	0.9
226.06294	0.8
227.07085	3.2
228.07481	0.3
229.01427	0.6
229.04993	1.3
233.11792	0.9
239.03467	0.3
242.09380	0.7
243.06476	0.3
244.00110	0.5
244.07442	0.3
245.08160	0.3
253.05011	1.1
254.05824	4.1
255.06540	1.6
256.03705	1.4
257.04504	0.4
259.09879	0.3
268.07358	0.4
269.08170	6.4
270.08524	0.5
271.06134	2.9
273.07605	1.5
283.09702	0.8
285.07712	0.4
286.08517	1.2
301.07300	3.7
301.10791	46.6
302.07797	0.3
302.11124	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	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47654	0.4
65.03830	4.2
67.01761	1.4
69.00292	0.4
69.32299	3.2
80.02567	0.4
81.17009	0.3
83.01266	0.5
91.05408	15.9
92.05727	0.5
93.03335	4.2
95.01276	0.6
103.05397	0.4
105.03374	0.4
107.04900	1.1
107.38242	0.4
108.02058	4.0
109.02835	39.4
110.03169	1.0
111.00758	0.6
117.75983	0.3
118.57634	0.3
119.04919	1.3
121.01959	0.6
121.02834	8.3
123.04403	1.4
124.01566	1.8
125.02322	0.5
132.59312	0.4
133.02800	0.7
134.03667	0.3
135.04413	96.2
136.01537	1.0
136.04745	3.6
137.02347	4.3
138.03125	9.3
139.03917	1.7
147.04419	20.6
148.01530	0.7
148.04758	1.1
149.02351	7.0
151.00246	0.5
151.03925	3.2
152.04666	1.5
153.05481	14.4
154.05856	0.8
155.08606	0.4
157.06468	0.6
159.04480	0.5
161.02328	1.1
161.05980	0.7
162.03088	1.3
163.03871	2.3
164.04694	6.9
165.01839	0.5
173.06007	0.5
177.05446	3.2
179.07054	9.5
179.08569	0.6
183.08080	0.5
183.13821	5.4
184.05156	0.5
184.14249	0.6
185.05980	1.5
186.06764	0.5
187.03886	1.1
187.07664	0.5
196.05174	0.4
196.62691	0.4
197.05971	0.8
199.07591	1.5
200.08357	0.8
201.05547	1.0
201.09204	0.4
203.07089	1.9
209.06000	1.1
210.06744	2.0
211.04007	1.4
211.07562	0.6
212.04716	4.4
213.05472	0.7
214.02608	0.5
216.07872	0.8
225.05476	1.4
225.09128	1.3
226.06210	1.5
227.03604	0.5
227.07094	7.1
227.12939	0.5
228.07474	0.5
229.05003	2.4
229.08549	0.7
233.11836	2.0
239.03395	0.8
241.04964	0.8
241.08833	0.5
242.09445	1.3
243.06570	1.2
244.07202	0.4
253.05101	1.9
254.05838	7.3
255.06554	2.9
256.03693	3.1
257.08215	1.1
257.11676	0.4
259.09744	0.7
268.07361	1.0
269.08179	11.0
270.08478	0.8
271.06149	6.3
273.07690	0.4
283.06317	0.4
283.09650	0.9
285.07758	0.7
286.08469	2.3
301.10794	100.0
302.11151	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	17.0
58.03653	0.3
62.02158	0.2
65.00201	0.2
68.30699	0.2
69.24562	1.1
69.24982	0.6
70.44868	0.2
72.85490	0.2
81.03333	3.2
83.01256	8.6
91.05437	0.3
98.19821	0.4
104.05774	0.2
104.06480	0.2
109.02853	1.0
117.96849	0.2
121.02831	0.8
123.00758	0.2
125.02336	100.0
126.02676	3.0
133.02780	0.2
134.03645	0.2
135.04422	2.2
137.02374	1.0
147.04416	0.4
148.01579	0.5
149.02332	0.5
149.05884	0.3
161.02321	0.9
163.03963	0.2
163.07562	0.5
164.04726	0.2
172.05191	0.3
175.03955	0.7
176.04738	1.8
179.07109	0.2
191.07080	2.2
199.03937	0.3
200.04672	0.5
215.07051	0.3
229.08633	0.2
245.41112	0.2
246.56604	0.2
253.05014	0.4
256.03879	0.3
271.06067	1.1
274.24670	0.2
286.08444	1.1
301.07208	19.2
301.10791	1.9
302.07510	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	301.072
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.00401	0.5
55.38728	0.5
59.01234	0.9
65.68409	0.6
68.99688	5.1
69.20486	3.3
69.20908	1.9
71.01260	2.5
83.63476	0.4
87.00764	0.7
87.21739	0.5
89.03837	0.7
91.37050	0.4
112.05244	0.5
118.04118	0.8
121.02806	0.6
122.03648	0.5
132.02063	0.8
135.04369	1.1
137.02336	0.5
145.02823	0.6
146.03612	1.3
148.01582	1.6
150.03104	1.5
158.03619	0.5
160.01559	1.1
161.02307	2.9
165.05490	2.5
171.04492	0.5
173.02364	1.1
174.03157	5.8
176.01096	3.1
177.01576	0.6
183.13824	0.7
185.02406	0.6
187.03911	1.1
188.01071	1.1
189.01878	1.5
190.02666	2.9
198.03079	0.7
199.03951	1.3
200.04668	0.7
201.01880	8.8
202.02689	5.7
203.07043	1.7
204.00609	1.2
211.13341	13.3
212.13634	0.7
213.14928	0.6
214.02603	0.5
214.99840	0.5
215.03474	5.7
216.00594	2.1
216.04216	3.1
217.01308	1.8
217.08737	0.6
218.02148	2.1
229.01384	13.1
229.04871	0.7
229.08589	1.3
230.02145	4.8
231.06575	0.8
239.03413	0.7
241.14398	1.9
242.02036	0.6
243.02971	10.9
244.00096	8.2
244.03755	2.4
245.08165	9.1
250.01274	0.5
255.06612	0.6
257.04501	2.6
272.06934	0.7
273.07678	39.7
274.07904	2.7
301.07181	100.0
302.07498	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	299.0924
Annotation	Sophoracarpan A
Peak:m/z	Relative Intensity
53.46576	0.6
59.01237	1.9
62.63410	0.6
63.02246	0.8
65.00193	1.8
70.70440	0.6
91.01792	0.6
97.06409	0.6
98.19795	1.8
98.37592	0.5
107.01212	0.7
108.02058	1.5
109.02833	2.4
117.03347	2.5
119.04916	0.6
120.33188	0.5
121.02852	6.2
123.00718	0.9
123.04444	0.7
133.02850	3.1
135.00787	1.4
137.02368	1.0
138.05481	1.5
139.11160	0.8
143.04907	1.1
145.02855	11.9
148.01578	1.2
151.00276	0.7
169.10150	1.0
171.04417	0.9
173.02338	1.0
175.03812	0.6
183.04482	1.3
187.03972	1.4
195.08086	4.1
196.05238	1.4
197.02301	0.8
197.09656	2.2
198.03117	0.6
199.03969	3.3
200.04652	0.9
201.01863	1.0
207.08118	1.6
210.06740	0.7
211.03938	2.4
211.07579	3.0
212.04643	1.2
213.05452	1.2
215.03415	1.7
223.07616	6.0
224.04709	3.1
224.08301	1.8
225.05424	2.4
225.09129	3.3
226.09947	1.4
227.03416	4.9
227.10677	1.4
237.05698	0.8
239.07086	63.2
240.04086	0.8
240.07442	4.7
241.04895	1.9
241.08676	7.4
243.02921	2.1
249.05580	0.9
251.07117	2.6
252.04291	2.6
255.02994	3.0
256.03632	2.5
267.06607	22.8
268.07132	4.0
269.04575	8.8
269.07465	1.1
270.04959	1.2
270.99771	1.1
271.02490	14.3
272.02847	1.8
283.02420	1.5
284.00003	1.1
284.03217	22.6
284.06738	4.7
285.03647	2.8
299.01956	19.1
299.05627	20.9
299.09235	100.0
299.16293	18.4
299.25735	1.3
300.02405	2.0
300.05951	2.4
300.09579	9.0
300.16736	1.4
314.98376	0.6
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
53.46576	0.6
59.01237	1.9
62.63410	0.6
63.02246	0.8
65.00193	1.8
70.70440	0.6
91.01792	0.6
97.06409	0.6
98.19795	1.8
98.37592	0.5
107.01212	0.7
108.02058	1.5
109.02833	2.4
117.03347	2.5
119.04916	0.6
120.33188	0.5
121.02852	6.2
123.00718	0.9
123.04444	0.7
133.02850	3.1
135.00787	1.4
137.02368	1.0
138.05481	1.5
139.11160	0.8
143.04907	1.1
145.02855	11.9
148.01578	1.2
151.00276	0.7
169.10150	1.0
171.04417	0.9
173.02338	1.0
175.03812	0.6
183.04482	1.3
187.03972	1.4
195.08086	4.1
196.05238	1.4
197.02301	0.8
197.09656	2.2
198.03117	0.6
199.03969	3.3
200.04652	0.9
201.01863	1.0
207.08118	1.6
210.06740	0.7
211.03938	2.4
211.07579	3.0
212.04643	1.2
213.05452	1.2
215.03415	1.7
223.07616	6.0
224.04709	3.1
224.08301	1.8
225.05424	2.4
225.09129	3.3
226.09947	1.4
227.03416	4.9
227.10677	1.4
237.05698	0.8
239.07086	63.2
240.04086	0.8
240.07442	4.7
241.04895	1.9
241.08676	7.4
243.02921	2.1
249.05580	0.9
251.07117	2.6
252.04291	2.6
255.02994	3.0
256.03632	2.5
267.06607	22.8
268.07132	4.0
269.04575	8.8
269.07465	1.1
270.04959	1.2
270.99771	1.1
271.02490	14.3
272.02847	1.8
283.02420	1.5
284.00003	1.1
284.03217	22.6
284.06738	4.7
285.03647	2.8
299.01956	19.1
299.05627	20.9
299.09235	100.0
299.16293	18.4
299.25735	1.3
300.02405	2.0
300.05951	2.4
300.09579	9.0
300.16736	1.4
314.98376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1652
Annotation	Miltipolone
Peak:m/z	Relative Intensity
59.01258	0.3
60.73566	0.2
70.82298	0.7
90.70802	0.2
117.03349	16.0
118.04255	0.3
119.04913	4.1
121.02848	3.9
123.04414	1.2
133.02852	1.1
134.03664	0.4
135.00836	0.3
145.02856	72.2
146.03191	3.0
147.04468	0.3
151.11241	0.3
153.12772	0.3
162.03146	1.1
163.03917	2.2
176.46715	0.3
227.03456	0.4
257.28650	0.3
284.03278	3.5
285.03369	0.3
299.05618	2.6
299.16513	100.0
300.16852	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	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01245	1.9
60.38910	0.9
71.01251	3.8
85.02802	0.9
89.02340	1.0
93.03341	61.4
94.03676	1.9
101.02337	2.1
107.14183	0.8
117.03368	1.6
119.04875	1.1
131.24686	0.8
137.02348	100.0
138.02681	3.3
138.05499	2.1
145.02859	12.9
254.15363	1.0
270.61282	0.8
284.03284	2.7
299.16537	19.4
299.25745	1.3
300.16739	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	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01262	0.8
62.90924	0.5
63.02248	0.8
65.00196	4.1
71.53362	0.9
79.58138	0.4
83.01268	6.0
87.00745	0.6
107.01266	2.2
108.02083	0.6
109.02809	1.1
112.96960	0.5
117.03345	0.8
123.00762	0.6
124.01523	0.8
132.02109	2.0
133.02985	0.5
135.00760	1.9
137.02441	0.6
145.02876	3.1
147.00774	0.6
147.04422	2.9
148.01588	3.3
149.02382	0.9
149.05994	0.6
151.00307	3.4
151.37321	0.5
153.01746	0.7
155.04881	0.6
161.02380	0.5
171.04549	0.6
172.05209	2.5
173.02353	0.6
173.05940	0.6
174.03171	4.1
176.00981	0.9
183.04462	1.4
184.05087	1.0
186.03162	0.6
187.03917	1.2
189.05518	5.0
191.03453	0.6
195.04411	1.3
196.05136	1.1
197.11029	0.5
198.03168	4.3
199.03966	2.8
200.01076	1.0
200.04752	1.9
201.01802	1.6
207.10187	1.0
211.03934	4.6
212.04733	4.3
213.01822	0.7
213.05498	2.6
214.02647	6.9
215.03421	2.3
216.04237	11.8
223.03963	0.8
225.06622	0.9
225.11221	1.1
227.03418	5.2
227.07057	0.7
228.04179	2.1
231.06575	17.2
232.07002	1.0
239.03474	6.9
240.04233	9.6
240.08975	1.6
241.04926	1.1
243.03008	1.2
255.02995	7.7
255.06601	2.3
255.11401	6.8
256.03717	8.2
257.04294	1.0
267.03055	3.6
268.03629	4.0
269.04593	3.2
270.05219	0.7
271.02603	4.0
271.05795	3.3
283.02490	1.6
284.03262	42.9
285.03610	1.9
299.05594	100.0
299.16382	3.3
300.02676	0.8
300.05856	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89071	0.4
53.71373	0.4
59.77913	0.3
65.00195	1.9
65.88749	0.4
69.23331	3.1
69.92448	0.4
74.68829	0.4
95.01264	1.3
107.01220	2.0
109.02850	0.4
111.00757	0.6
115.05407	0.9
123.00762	0.9
123.04432	0.8
123.21263	0.4
127.05407	0.7
128.01039	0.6
129.03340	0.5
131.04910	0.9
133.02786	1.0
135.00783	2.0
135.04434	0.3
136.98700	1.1
139.05428	0.7
141.03299	0.9
143.04927	4.7
145.02835	1.9
147.00746	1.0
147.04460	2.3
148.01566	8.2
149.02316	0.6
149.05881	0.4
150.03105	1.0
151.00290	3.2
153.01859	0.4
154.99443	0.4
155.04958	2.5
157.02863	3.1
158.03688	1.3
159.04434	4.4
162.03099	1.0
163.03900	1.2
167.04916	0.4
169.02882	0.7
170.03625	1.6
171.04416	8.0
172.05072	0.7
173.02354	2.9
174.03098	0.7
175.03938	3.2
176.01033	2.3
177.01802	0.8
177.05476	0.8
181.02919	0.7
182.03676	1.0
183.04443	8.4
184.04906	0.6
185.02316	2.1
186.03111	0.8
187.03931	18.4
188.04337	1.4
189.01868	0.9
190.02596	1.7
193.05013	0.6
195.04474	1.2
197.02380	1.6
198.03149	2.9
199.03947	15.3
200.04698	2.6
201.00092	0.6
201.01877	7.3
202.02435	1.1
203.03442	2.4
209.02423	0.7
210.03134	0.7
211.03925	7.9
212.04764	2.4
213.01907	2.7
214.02663	3.1
215.01373	0.6
215.03453	11.2
216.03876	1.2
223.03999	0.5
225.01917	1.3
226.02626	3.1
227.03455	27.0
228.04086	3.0
229.01346	4.3
230.02036	1.0
231.02890	1.4
237.01865	0.7
238.02299	0.4
239.03468	5.7
240.04218	7.6
241.01370	0.8
241.04681	0.4
242.02182	3.7
243.02960	15.9
244.03268	0.7
253.01431	2.6
254.02141	0.8
255.02969	14.6
256.03690	4.8
257.00797	0.8
257.25598	0.4
267.02930	2.8
268.03549	0.5
270.01620	2.2
271.02472	74.0
272.02826	5.4
281.00986	2.3
282.01703	1.0
283.02481	11.3
284.03256	100.0
285.03613	6.0
298.01279	0.4
299.01962	68.0
299.05597	64.3
299.08670	1.7
300.02359	5.0
300.05920	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09376	0.2
57.14085	0.3
60.33511	0.2
63.82534	0.3
65.00188	0.5
69.11287	0.3
79.76109	0.3
91.01763	0.5
107.01236	1.0
135.00786	1.9
145.02809	0.9
147.00766	0.6
147.04482	0.4
148.01558	6.9
149.05916	0.4
150.03160	1.1
151.00247	1.3
153.01872	0.4
158.03619	1.2
170.03635	0.8
172.05261	0.7
176.01070	1.2
181.08510	0.3
183.04411	1.3
184.05240	0.5
187.03899	0.6
190.02490	0.3
195.04376	0.6
196.05234	0.4
198.03279	0.3
199.03906	2.1
200.04790	1.7
211.03929	4.4
212.04715	2.6
214.02621	1.2
214.81885	0.3
215.03554	0.4
216.04149	0.3
223.03970	1.1
227.03433	11.0
228.04156	2.1
229.01315	0.3
239.03477	3.8
240.04172	1.7
242.02101	0.9
244.03926	0.3
255.02963	9.8
256.03732	3.8
257.03940	0.4
267.02917	2.1
268.03491	0.3
271.02472	0.7
283.02469	7.9
284.03253	100.0
285.03613	6.3
299.05597	97.9
300.02493	0.5
300.05954	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27741	0.2
56.24499	0.2
62.68851	0.2
63.02256	0.4
65.00175	0.4
69.21516	0.8
69.21948	1.2
83.12138	0.2
87.46964	0.2
91.01765	0.4
107.01238	0.9
108.02023	0.4
122.17369	0.2
135.00763	1.6
136.01532	0.3
145.02800	0.4
148.00499	0.3
148.01573	5.8
150.03134	0.9
151.00282	1.1
153.01790	0.5
158.03629	1.3
170.03564	0.4
171.04349	0.3
172.05203	0.3
176.01051	1.4
183.04372	1.5
184.05142	0.7
186.03133	0.3
187.03912	0.4
195.04366	1.0
196.05173	0.3
198.03081	0.3
199.03981	1.4
200.04713	2.0
211.03947	4.2
212.04730	2.1
214.02681	0.7
216.04178	0.4
223.03937	0.9
227.03439	9.4
228.04112	1.6
234.52077	0.2
239.03467	3.0
240.04338	1.2
242.02142	0.7
255.02969	7.5
256.03714	3.8
267.02963	1.4
283.02472	6.4
284.03250	100.0
285.03571	7.6
299.05600	55.6
300.02844	0.4
300.05954	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43188	0.6
59.01341	1.0
62.80059	0.5
63.02378	0.5
65.00255	0.5
69.28645	0.7
69.28895	0.8
69.29292	3.1
71.85000	0.5
75.61782	0.5
86.51094	0.5
88.36229	0.5
91.01870	1.0
107.01408	1.8
117.03475	0.6
135.00827	2.6
136.01637	0.5
137.02393	0.8
142.36690	0.5
145.02835	4.2
147.00978	0.7
147.04536	0.7
148.01550	6.4
149.06088	0.8
150.03265	1.5
151.00264	3.0
153.01950	1.0
158.03723	1.0
168.06686	1.1
171.04442	0.9
176.01167	1.3
183.04561	2.2
184.05328	0.6
187.04044	1.1
190.02808	0.6
191.03429	0.5
193.05115	0.5
195.04568	0.9
196.05338	0.6
198.03140	0.5
199.03912	2.7
200.04892	2.3
201.02002	0.7
201.05650	0.5
211.03944	4.3
212.04742	2.5
214.02780	1.0
215.03468	0.7
223.04005	0.8
227.03467	11.4
228.04198	1.5
239.03461	4.8
240.04291	1.7
241.01405	0.7
242.02307	0.9
243.03024	1.6
255.02950	8.6
256.03629	4.8
267.02997	2.2
271.02484	11.2
272.02908	1.1
283.02481	9.8
284.03262	100.0
285.03650	6.8
299.02121	8.5
299.05579	95.6
299.08517	2.2
299.12781	1.4
299.16345	5.6
300.02545	2.3
300.05933	6.6
300.13629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28431	0.3
65.00174	0.5
69.37394	0.4
69.37796	1.6
83.01238	0.3
91.01722	0.8
97.34029	0.2
98.19839	0.6
107.01234	0.9
108.02054	0.3
121.02758	0.4
132.01994	0.3
135.00778	2.0
136.01483	0.5
145.02812	0.4
148.01556	6.0
150.03088	1.0
151.00288	1.2
153.01830	0.5
158.03584	1.1
167.04939	0.2
170.03630	0.6
172.05212	0.4
176.01118	1.2
180.64087	0.3
183.04427	1.4
184.05188	0.7
186.03065	0.4
187.03917	0.3
188.04622	0.4
195.04385	0.9
196.05215	0.5
198.03279	0.4
199.03938	2.5
200.04770	2.3
210.03093	0.4
211.03926	4.9
211.17564	0.3
212.04742	2.9
213.01813	0.5
214.02708	0.8
215.03368	0.3
216.04141	0.4
223.03828	1.3
227.03445	11.1
228.04083	2.2
239.01273	0.4
239.03448	3.6
240.04210	2.0
241.01299	0.4
242.02165	0.6
255.02969	8.7
256.03687	4.9
257.04181	0.4
267.02988	1.7
282.99454	0.5
283.02466	7.9
284.03250	100.0
285.00775	0.2
285.03595	7.9
299.05600	86.2
300.05939	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	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
63.02263	1.0
65.00191	4.1
65.60114	0.2
68.99710	0.5
70.83187	0.4
70.83519	0.3
83.01259	5.9
89.00225	0.2
94.49223	0.2
95.01266	0.3
101.02363	0.2
105.79645	0.2
107.01269	1.9
108.02081	0.2
109.02850	0.8
109.99979	0.3
117.03350	0.3
123.00744	0.9
123.04456	0.3
124.01526	0.5
125.02343	0.9
130.04185	0.4
132.02072	1.9
133.02885	0.6
134.33878	0.2
135.00798	0.5
143.04907	0.2
145.02863	2.3
147.00781	0.4
147.04422	3.0
148.01546	2.0
148.02505	0.2
148.04883	0.2
149.99533	0.5
151.00275	3.9
155.04964	0.2
157.02922	0.3
158.03630	0.7
159.00858	0.2
161.02354	0.3
165.05551	0.6
167.04959	0.2
169.01341	0.7
170.03664	0.5
171.04335	0.3
172.01616	0.5
172.05223	2.1
173.02357	0.3
174.03133	5.6
175.03539	0.4
176.01050	0.6
183.04428	1.1
184.05176	1.1
186.03188	0.8
187.03954	0.8
188.04695	1.1
189.05496	6.4
190.05824	0.3
192.00409	0.2
195.04478	0.6
196.05196	1.9
197.02341	0.3
197.05489	0.2
198.03171	4.7
199.03914	2.0
200.01053	1.4
200.04692	1.4
201.01868	1.4
203.07164	0.3
211.03969	3.3
211.07440	0.3
212.04723	3.3
213.02051	0.2
213.05544	2.6
214.02667	9.4
215.03426	3.3
216.04224	14.7
217.04642	0.7
222.03192	0.4
223.03952	0.4
227.03432	4.1
228.04236	1.6
229.04996	0.3
231.06596	19.6
232.06876	1.1
238.02774	0.3
239.03471	1.9
240.04254	7.2
241.01411	0.3
241.04732	0.6
242.02197	0.6
243.02948	0.4
255.02991	2.9
255.06577	1.2
256.03693	2.7
257.04471	0.7
266.02286	0.5
267.02963	0.6
269.04541	2.0
270.04840	0.3
271.02444	0.9
271.06104	0.3
283.02490	1.4
284.03265	42.8
285.03601	3.1
298.24567	0.3
299.05600	100.0
299.16339	2.9
300.02448	0.5
300.05939	8.1
300.16724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69009	0.4
59.01268	0.7
63.02266	0.6
65.00200	3.6
72.85349	0.4
83.01268	5.8
83.01736	0.8
84.49344	0.5
85.27988	0.4
98.19668	0.9
107.01265	2.0
108.02061	0.6
109.02866	1.0
123.00760	0.7
125.02391	0.7
132.02051	1.2
133.02795	0.5
137.96771	0.4
138.05476	0.7
145.02882	2.9
147.04427	2.6
148.01576	1.6
151.00301	3.9
170.03667	0.7
172.01543	1.1
172.05185	1.3
174.03137	4.6
176.00984	0.6
176.08286	0.5
183.04469	1.3
184.05226	1.2
187.03995	0.7
188.04646	0.7
189.05501	5.4
196.05290	0.9
198.03139	3.8
199.03876	1.7
200.01077	1.1
200.04674	0.9
201.01900	0.8
211.03926	2.1
212.04706	2.6
213.01804	0.6
213.05533	2.1
214.02670	7.2
215.01534	0.5
215.03279	2.4
216.04231	11.5
217.04538	0.6
227.03455	3.0
228.04134	1.5
231.06577	18.1
232.06967	1.8
237.38480	0.5
239.03476	1.1
240.04262	6.2
241.04794	0.8
242.02185	0.6
243.02867	0.5
255.03032	2.4
255.06561	1.2
256.03757	2.6
257.04434	1.0
271.02444	1.3
283.02444	1.6
284.03256	39.3
285.03500	2.5
299.05597	100.0
299.16415	3.9
300.05948	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	299.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
63.02273	2.9
65.00191	2.2
69.93005	1.7
71.01313	0.5
79.01771	0.4
81.71039	0.4
83.01264	1.6
89.00230	0.7
93.03339	0.7
95.01253	0.4
107.01257	4.0
108.02097	0.6
109.02831	4.2
115.05408	0.9
117.03333	0.9
121.02805	0.4
133.02859	8.0
135.00807	1.4
143.04935	2.9
145.02863	4.9
147.00806	1.0
147.04465	0.9
148.01619	0.8
149.02357	0.7
151.00259	3.1
153.03423	0.5
155.04936	1.1
157.02895	2.2
159.04440	0.8
161.02383	0.7
163.00247	0.7
168.22348	0.4
169.02853	0.8
171.04440	6.0
172.04803	0.4
173.02383	1.3
174.08853	0.3
175.03958	3.4
182.03636	1.0
183.04446	1.1
185.02399	0.7
187.03940	3.2
197.02406	1.7
198.03201	2.2
199.03937	12.7
200.04315	0.7
201.01872	4.4
203.03452	0.7
211.04115	0.5
213.01846	0.8
214.02582	1.0
215.03459	5.2
225.02000	0.5
226.02686	2.0
227.03447	6.6
229.01340	0.7
241.04773	0.5
242.02200	1.9
243.02983	6.5
255.02997	4.2
271.02478	81.9
272.02844	5.4
282.01654	0.9
284.03455	0.4
299.01968	100.0
299.16589	5.0
299.25732	0.4
300.02573	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
58.00463	1.2
59.01250	17.7
65.97775	0.7
71.01256	12.4
71.53571	0.8
72.99186	0.9
73.02793	1.9
79.01768	0.9
83.01256	0.9
85.02831	3.7
85.48846	0.8
89.02320	11.6
95.01257	1.0
95.46121	0.8
101.02321	8.3
113.02337	5.4
119.03393	5.3
135.06506	5.6
141.12759	1.8
143.03406	1.1
149.06052	0.9
155.10686	8.5
161.04430	2.3
171.10141	1.8
179.05510	3.9
183.01094	5.7
188.26820	0.7
237.09763	1.1
246.06409	0.8
267.03021	1.0
279.23273	11.0
281.05063	0.9
282.01764	0.9
282.05399	1.6
285.73178	0.8
297.08011	1.5
297.11810	7.6
297.15265	12.6
297.24344	100.0
298.15570	1.7
298.24637	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	299.0196
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.06873	0.3
59.01249	0.5
60.29393	0.3
63.02263	3.8
65.00193	2.2
69.38371	0.3
83.01262	1.0
89.00214	0.8
91.01761	0.8
98.20546	0.7
107.01277	3.3
108.02067	0.6
109.02827	4.2
115.05425	0.8
117.03309	0.8
119.01276	0.5
119.04909	0.4
121.02808	0.3
126.45831	0.2
131.04909	0.5
133.02853	7.4
133.75311	0.3
134.03143	0.3
135.00784	1.3
137.49146	0.3
139.03908	0.3
143.04927	3.0
145.02882	2.6
147.00757	0.8
147.04401	0.9
148.01543	0.7
148.22028	0.3
149.02312	0.5
150.90486	0.2
151.00302	2.7
152.00693	0.3
153.03368	0.4
154.04103	0.4
155.04948	1.3
157.02855	1.9
159.04407	1.0
161.02362	0.5
163.00270	0.9
163.03897	0.6
164.01045	0.3
169.01436	0.3
169.02850	0.5
170.03654	0.5
171.04431	6.3
172.04761	0.5
173.02370	1.6
175.03934	3.7
176.19946	0.3
182.03629	0.4
183.04410	1.0
185.02348	0.9
187.03935	3.3
189.05466	0.5
197.02356	2.0
198.03162	2.2
199.03937	13.7
200.04271	0.6
201.01869	4.3
203.03453	1.1
213.01895	0.7
214.02690	0.8
215.03432	5.2
225.01836	0.4
226.02689	3.1
227.03427	6.5
228.03769	0.4
229.01352	0.5
241.01385	0.6
242.02205	1.9
243.02939	8.2
244.03218	0.3
255.02963	4.0
270.01547	0.4
271.02469	73.6
272.02808	4.5
281.08002	0.3
282.01678	1.0
283.02457	0.3
284.03281	0.4
298.01105	0.4
299.01956	100.0
299.16376	2.4
299.25681	0.4
300.02548	15.2
321.52451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01257	4.6
65.01373	0.4
71.01317	1.6
71.54047	0.5
71.54430	0.6
78.49400	0.4
85.02873	0.7
87.76524	0.4
88.03970	1.0
89.02312	2.1
94.76778	0.4
101.02357	1.0
113.02355	0.7
117.03426	1.6
119.03452	0.9
121.02926	0.9
132.02122	0.7
135.04483	0.7
135.06546	0.9
143.04979	0.9
147.00812	0.6
150.41034	0.4
155.04997	1.0
161.04593	0.5
166.07103	0.4
167.04997	1.1
180.67845	0.4
183.04439	3.6
195.04465	5.5
195.06071	0.6
196.04842	0.5
199.07755	0.5
206.08109	0.4
206.85968	0.5
210.03212	0.9
211.03951	10.6
212.04390	0.6
217.07198	0.4
223.03954	4.0
236.16403	0.7
238.02661	0.8
239.03470	33.1
240.03696	2.1
267.02979	45.5
268.03308	2.8
282.05338	100.0
283.05704	7.1
297.04202	2.0
297.07663	30.0
297.11530	1.8
297.14716	0.8
297.24335	1.1
298.07928	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	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	65.6
71.01260	49.1
72.99192	11.6
73.40984	5.3
75.00741	16.5
78.95781	28.2
79.67231	5.0
83.99284	5.7
85.02813	15.1
87.00748	7.2
89.02326	51.7
90.32237	5.2
96.96836	19.0
98.74323	5.6
99.00764	7.7
101.02321	27.2
113.02361	12.1
119.03416	27.0
135.06581	10.9
139.01987	6.0
143.03371	6.3
148.62776	6.1
161.04471	14.7
179.05544	12.2
198.31458	5.3
237.06206	6.2
274.31183	6.3
297.08246	100.0
297.11810	27.8
297.24445	42.3
298.08868	7.2
298.24960	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	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
71.01261	1.5
80.02551	0.4
81.07336	0.4
85.02818	0.5
89.02319	2.6
91.01778	3.3
95.10816	0.3
100.01834	0.3
101.02323	1.0
108.02039	3.1
109.02819	0.8
113.02332	0.5
119.03400	1.1
121.02859	0.5
135.00787	5.3
135.06549	0.8
141.38498	0.3
145.02859	0.9
146.03627	1.2
148.01530	0.5
149.94728	0.4
153.01836	1.6
156.05757	0.4
161.02310	0.6
161.04437	0.5
167.04892	0.6
173.02353	0.5
183.04422	0.6
195.04428	6.2
196.85664	0.4
198.03094	0.5
199.07565	0.6
208.05264	0.6
209.05969	0.7
210.03127	0.5
211.03955	4.1
212.04597	0.4
213.05545	0.6
223.03946	3.0
225.05569	1.1
226.06197	0.4
228.19833	0.3
237.05428	0.8
238.02673	0.7
239.03467	46.9
240.03889	3.1
250.02670	0.8
251.03479	8.4
251.42880	0.3
252.03870	0.6
253.05023	2.9
254.05728	1.4
255.02988	0.8
265.05228	0.5
266.02179	4.7
267.02972	24.9
268.03320	1.4
281.01495	0.4
281.04587	10.0
282.05334	45.1
283.05658	2.8
297.07672	100.0
297.24396	1.1
298.08041	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	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.0
69.51325	0.7
69.51732	1.4
71.01260	2.9
73.02794	0.7
82.82972	0.3
85.02791	0.8
87.00737	0.4
89.02315	4.2
92.40093	0.3
101.02325	1.7
113.02296	1.3
117.03333	1.6
119.03338	1.4
121.02805	0.6
123.04389	0.5
131.04866	0.3
132.02032	0.9
135.06493	1.7
143.03419	0.4
143.04872	0.6
147.00757	0.5
151.61098	0.3
155.04898	1.4
161.04503	0.7
162.82524	0.3
167.04950	1.5
179.05553	1.5
182.03606	0.7
183.04457	3.8
195.04434	6.3
196.04808	0.4
199.07491	0.5
210.03159	0.9
211.03970	10.7
212.04205	0.6
217.95784	0.3
221.88824	0.3
223.03978	4.4
223.13312	1.0
238.02702	0.4
239.03461	32.5
240.03812	2.4
266.02188	0.7
267.02972	44.6
268.03314	3.7
282.05328	100.0
283.05664	6.8
297.07681	30.4
297.11676	2.3
297.14932	1.1
297.24261	1.9
298.07916	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
59.01253	8.9
61.64598	0.8
71.01249	3.1
71.24505	1.0
85.02817	1.3
88.40571	0.7
89.02294	1.8
101.02319	2.2
104.96468	0.7
113.02350	1.1
113.09627	3.8
114.31689	0.7
133.04938	1.8
168.33009	0.7
171.10245	0.9
177.01910	0.9
179.14296	1.1
183.13824	3.3
195.12053	1.3
195.13852	27.6
196.14198	1.1
205.01289	1.5
233.22827	0.9
253.09332	0.9
277.21722	26.2
278.22144	1.5
295.22787	100.0
296.23178	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24756	0.7
57.03326	3.2
59.01250	7.4
64.58140	0.8
69.03310	0.9
70.10190	3.5
71.01258	3.4
73.02796	0.8
75.31809	0.8
85.02834	1.0
89.02327	1.0
98.19940	0.9
101.02337	2.5
106.42071	0.7
113.02353	1.3
113.09645	1.1
127.11152	1.0
137.09537	0.9
155.14255	1.9
161.04497	0.9
171.10191	29.3
172.10518	1.8
176.06625	0.8
183.10187	1.5
183.13861	1.3
195.13847	7.2
205.01373	1.2
251.23965	1.0
273.85376	0.8
277.21719	42.9
278.22070	2.8
295.10294	1.6
295.22797	100.0
296.23178	6.8
310.49118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.07287	0.3
59.01248	3.3
59.90986	0.4
69.03320	0.3
70.81796	0.9
71.01244	1.2
72.99166	0.5
84.02042	0.4
85.02820	0.6
89.02311	0.5
96.95903	0.8
98.95465	2.9
98.96323	0.5
101.02283	0.9
106.10121	0.4
109.06429	0.5
127.11177	0.8
133.04955	0.7
141.12755	7.7
155.14323	3.7
155.56119	0.4
249.19765	0.3
249.22205	8.0
250.22572	0.6
277.21674	1.5
295.22784	100.0
296.23120	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	296.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.8
71.01250	18.3
71.52834	4.9
75.03078	3.3
82.56814	3.2
85.02826	9.5
87.00745	60.5
88.36642	3.0
89.02310	12.6
90.68098	2.8
91.29983	2.9
93.03350	3.5
101.02322	8.4
105.19337	2.9
106.04113	5.8
107.04909	4.1
108.02066	9.2
108.27902	2.6
109.02796	5.6
111.00765	10.5
113.02318	5.6
115.00214	3.2
116.04896	3.6
119.03384	4.9
119.04876	6.6
121.02831	6.8
123.04408	25.2
128.04945	4.4
131.03732	3.4
131.04890	4.1
135.06479	3.5
142.04965	4.2
144.04408	5.7
145.05286	4.3
145.06488	7.2
146.05998	22.3
147.04393	9.2
148.03932	6.8
148.07532	4.0
149.05940	14.2
156.04424	17.7
163.07385	3.5
164.07031	8.5
165.05482	8.1
172.07549	17.3
174.05524	16.3
178.02702	4.7
188.07080	12.6
189.05469	4.0
192.06549	11.7
198.05524	10.2
200.03471	6.2
216.06627	14.9
218.04469	14.9
234.07683	9.6
236.05626	19.3
278.06763	16.3
296.07748	100.0
296.13062	6.0
297.08249	7.0
297.11743	7.0
297.24442	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	297.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24344	0.3
59.01254	3.0
64.92280	0.3
65.00185	0.6
71.01265	1.5
85.02881	0.4
89.02325	1.6
91.01769	5.8
92.15462	0.3
93.03365	0.3
98.19820	0.5
101.02325	1.3
108.02063	0.4
109.02882	0.3
112.16534	0.3
113.02341	1.0
117.03341	0.6
119.03371	0.7
121.02865	0.5
130.04108	0.6
132.02039	0.9
133.02863	0.4
134.00078	0.4
135.00790	5.1
135.06491	0.9
140.02565	0.3
141.03351	0.6
145.02827	0.8
146.29158	0.3
147.00864	0.4
153.01877	1.8
153.02922	0.3
154.04175	2.7
155.25587	0.3
156.02081	0.6
156.05667	0.4
157.02840	0.3
158.03650	4.3
159.04044	0.3
161.02325	1.0
161.04498	0.7
165.03316	0.4
169.02863	1.7
170.03662	2.9
173.02313	0.4
181.02907	0.8
181.06546	0.4
182.03665	11.1
183.04199	1.1
184.01584	0.7
185.02367	9.1
185.05930	0.4
186.02997	0.9
189.01872	0.4
192.15050	0.3
195.04416	0.6
196.05159	0.3
197.02368	1.6
197.06020	0.5
198.03165	12.5
199.03624	1.2
199.07567	0.6
201.01898	0.3
207.04460	0.6
209.02434	2.7
210.03172	10.1
211.03891	2.0
213.01863	2.9
213.05580	0.5
214.02643	0.8
222.45833	0.3
223.03815	0.6
224.04822	0.6
225.01898	1.3
225.05521	1.8
226.02667	10.3
227.03192	0.8
229.01381	0.5
237.01840	2.3
238.02670	8.6
239.03403	2.5
240.03951	0.3
241.04842	0.4
253.01418	4.3
253.04117	0.5
253.05103	0.5
254.02190	21.5
255.02574	1.5
258.01627	0.9
265.01456	0.5
266.02222	2.0
267.02969	3.7
268.03607	0.8
269.04538	16.8
270.04880	1.1
281.00867	3.6
282.01691	1.4
297.04041	100.0
297.24319	1.1
298.04379	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.16123	0.6
59.01234	1.8
64.21287	0.6
67.33617	0.6
70.19488	0.5
70.29508	2.2
81.53889	0.6
84.01915	0.7
99.59566	0.6
113.09601	1.5
124.42759	0.6
146.44078	0.5
171.10182	10.3
177.12695	0.7
179.14311	0.9
195.13831	13.7
196.14140	0.8
277.21732	24.6
278.22098	2.6
295.22784	100.0
296.23117	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98337	0.6
57.03308	1.0
59.01254	5.7
67.54292	0.6
69.03315	1.2
69.23272	7.1
71.01247	2.0
71.04895	6.9
83.04878	0.8
86.28186	0.8
89.02323	1.1
98.19839	1.7
121.10067	1.0
145.08379	0.7
171.10245	1.1
191.18045	1.1
191.24371	0.9
205.15829	1.1
209.15355	2.2
221.15370	2.2
223.16968	7.8
231.21204	3.4
235.17001	53.5
236.17406	4.2
263.75946	0.7
275.20148	48.3
276.20477	4.2
293.08871	6.3
293.21225	100.0
294.21600	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04368	0.3
57.03330	1.2
59.01252	4.3
59.53780	0.3
60.99160	0.7
61.09290	0.3
67.01758	4.9
67.73184	0.3
69.03323	1.2
70.39250	1.0
71.01253	4.6
72.99161	0.4
73.02802	0.6
81.03333	0.8
83.04898	1.3
85.02809	0.7
87.00746	1.6
89.02319	0.8
93.03338	28.1
94.03707	0.3
95.04888	0.7
97.02818	0.4
101.02336	0.7
109.02823	1.2
111.00763	1.2
111.04402	6.6
113.02336	0.7
113.05962	1.1
115.03893	0.6
117.03348	0.6
119.04949	1.6
121.02852	25.7
122.03188	0.8
127.03931	0.7
133.04971	0.5
134.03680	0.4
137.02364	4.2
145.02879	1.9
155.03415	3.7
160.01541	1.1
161.04631	0.4
161.06001	0.5
163.03966	1.3
163.07529	0.3
165.13831	0.4
169.92967	0.3
173.04478	100.0
174.04825	3.0
175.03914	0.7
189.12831	1.4
191.07051	0.9
193.04910	0.5
235.06088	1.3
251.13011	1.6
251.17775	0.4
253.09280	0.3
295.08047	3.1
295.10709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48063	1.2
53.19601	1.2
55.01728	1.4
57.03305	1.5
58.00459	2.2
59.01251	69.7
60.01577	1.4
70.92160	1.1
71.01252	37.5
71.51790	1.6
72.99194	3.3
73.02816	2.8
74.10553	1.3
75.00761	8.8
83.01261	1.5
85.02831	8.2
85.30419	1.1
87.00748	2.3
89.02314	42.5
95.01251	1.8
99.00771	1.7
101.02314	25.2
113.02335	13.8
115.03871	3.6
119.03371	18.6
122.02405	1.5
133.04955	5.8
143.03336	2.8
147.06525	10.9
149.04497	1.4
161.04425	3.5
191.32306	1.2
199.55437	1.2
228.74449	1.2
237.06110	6.6
276.61163	1.2
295.10336	100.0
296.10660	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.4
57.03325	1.6
58.00464	3.4
59.01253	100.0
60.01602	1.3
64.22274	0.7
71.01256	42.6
71.04887	0.9
72.61542	0.7
72.99197	5.0
73.02814	2.9
75.00746	13.3
83.01257	4.0
85.02824	11.6
86.48046	0.7
87.00738	1.7
89.02320	49.1
93.03343	0.9
95.01299	3.7
95.87166	0.7
99.00727	1.0
101.02325	28.5
113.02335	19.2
114.02708	0.8
115.03918	3.9
119.02570	1.5
119.03393	21.8
122.02348	2.0
131.03378	1.6
133.04976	3.7
143.03418	1.5
147.06554	5.6
149.04456	1.7
161.04460	2.1
173.04449	1.3
179.05515	2.3
210.50378	0.8
237.06203	5.4
251.07616	1.1
295.10345	97.3
296.10681	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	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01731	2.0
55.28885	1.8
57.03318	12.1
59.01240	10.9
68.53987	1.4
69.03331	3.4
69.40882	6.7
69.41312	4.7
71.01244	3.9
73.02818	3.7
77.64754	1.4
83.04894	5.6
85.02811	6.9
89.02312	1.8
93.03335	4.8
95.04898	22.3
97.02846	2.2
98.03689	1.7
103.90505	1.5
107.04900	1.6
109.02844	2.7
109.06471	2.5
111.04406	21.5
111.08045	4.4
113.02348	2.8
113.05966	29.1
115.03884	3.7
119.04934	1.9
121.02814	3.6
121.06469	8.1
122.03603	2.0
123.08022	4.9
124.05183	2.7
125.05960	1.7
132.01991	2.0
133.02843	1.6
133.04887	2.2
133.06467	6.1
134.03595	3.0
135.08041	4.2
137.05981	6.5
137.09604	4.5
138.06718	1.8
139.07555	5.2
147.07994	1.7
149.06050	2.0
149.09602	9.3
151.07454	2.0
155.07031	3.8
160.01575	3.8
161.05988	23.2
163.11153	4.8
165.09128	8.0
167.71387	1.7
171.11687	8.6
173.04449	5.1
175.03925	5.7
176.04662	1.7
189.12772	100.0
190.13115	6.0
191.07066	5.0
193.04974	3.2
205.05132	2.5
207.13760	8.8
233.11853	2.9
235.06012	5.0
251.12865	96.9
252.13171	6.6
262.78522	2.3
295.08356	7.0
295.11850	60.6
296.12195	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22062	0.4
59.01237	0.4
70.28968	0.7
70.29334	0.7
81.03302	0.8
92.43803	0.4
94.02827	0.4
111.50577	0.4
121.10116	0.7
147.13356	0.4
149.09653	0.7
171.10201	1.2
181.15884	0.7
191.14337	0.7
206.47998	0.4
225.14877	0.9
249.22211	1.2
264.24249	0.4
275.20279	1.7
276.20340	0.5
293.21222	100.0
294.21533	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42025	0.6
55.55501	0.6
57.03323	5.2
59.01246	2.7
59.63235	0.6
69.39520	5.0
69.86524	0.6
71.01273	0.7
77.92762	0.8
97.06453	1.3
107.34170	0.6
109.06442	0.6
113.09608	18.7
121.10126	2.8
134.77097	0.6
136.08049	0.6
139.11197	2.0
141.09241	0.6
145.07448	0.6
149.09610	0.9
167.10704	2.2
171.10173	5.7
177.12787	1.1
179.10684	2.0
185.11705	0.8
195.13869	2.1
235.16927	0.7
249.22153	2.0
261.67459	0.6
275.20197	9.5
293.21222	100.0
294.21603	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
59.01249	0.4
69.80890	1.8
97.06460	1.2
98.20477	0.7
102.32063	0.4
121.08006	0.4
121.10039	0.5
123.08051	0.8
125.09613	3.3
141.12709	1.5
149.09598	1.8
171.10199	0.8
183.13840	0.9
185.11765	8.8
186.12015	0.7
197.11768	2.2
211.29219	0.5
249.22194	1.0
275.20111	2.1
292.46729	0.4
293.21213	100.0
294.21570	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01251	1.8
63.99544	0.3
69.03336	0.9
69.60580	0.3
71.01300	1.8
72.99170	1.0
83.04889	0.8
84.02020	0.4
85.02826	0.8
85.06468	0.5
89.02309	1.2
92.60674	0.4
96.95885	0.4
97.02827	0.4
99.08076	0.4
113.09569	0.7
121.10113	0.5
125.09601	0.9
131.03284	0.4
139.11194	3.2
143.13228	0.4
149.12950	0.3
153.12758	2.0
161.04445	1.4
191.17990	3.2
210.33382	0.4
224.14157	0.7
236.10504	0.5
245.18959	0.5
247.20660	2.7
265.43079	0.4
275.20081	1.9
293.08881	1.7
293.21231	100.0
294.21576	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01254	10.0
69.03311	1.4
71.01257	9.2
71.53497	0.8
72.99169	1.0
73.02816	2.2
83.01272	0.5
85.02837	4.1
87.00759	1.3
89.02314	9.0
96.95880	1.4
97.02834	1.6
97.06456	0.9
99.00745	1.7
101.02334	2.3
111.08048	0.6
113.02315	1.6
113.09608	1.2
125.02335	1.4
125.09544	0.6
131.03409	2.6
131.07042	1.2
136.08813	0.6
143.03433	1.1
149.04533	0.8
151.11284	0.7
161.04477	7.3
163.06099	1.1
167.10608	0.8
171.10185	1.3
177.01883	0.7
179.14255	0.8
179.53720	0.5
181.12303	0.9
185.11775	0.8
192.11508	1.1
193.15913	1.6
195.13835	12.2
196.14436	0.6
205.12326	0.8
211.13336	0.8
220.14626	1.6
221.15378	4.3
223.13333	7.7
224.13698	0.7
228.13583	0.9
235.59711	0.5
236.10428	2.4
250.19022	0.7
256.13174	3.2
265.21686	1.0
275.20181	8.3
276.20578	0.8
293.08844	14.4
293.21225	100.0
294.09167	0.9
294.21609	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19264	0.5
69.80836	0.9
69.81238	2.6
85.43974	0.5
109.56349	0.6
171.10155	0.6
189.80597	0.6
195.13837	10.9
196.14487	1.6
205.12271	0.6
211.13359	0.9
213.00067	0.6
223.13342	10.8
224.13818	0.9
228.13618	1.4
239.12917	0.6
256.13104	4.6
275.20129	8.5
276.20502	0.7
293.21219	100.0
294.21552	8.5
297.45712	0.6
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	Unknow
Peak:m/z	Relative Intensity
57.74797	1.4
59.01241	1.7
70.14967	4.7
70.15309	1.2
72.52435	1.2
76.68556	1.4
78.60168	1.1
85.20435	1.0
85.74664	1.0
101.40101	1.2
121.10123	45.5
122.10434	1.5
125.09628	1.7
127.11153	1.7
132.30528	1.2
139.24704	1.2
171.10184	73.2
172.10561	3.6
183.13727	1.6
185.11708	3.6
204.81839	1.2
231.21194	4.6
232.23813	1.5
275.20148	100.0
276.20444	9.0
293.21219	64.7
294.21420	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03456	0.6
56.51402	0.5
57.03316	1.2
59.01242	2.8
62.26890	0.6
64.28613	0.5
69.03333	0.7
70.91451	1.4
71.01252	2.5
89.02322	2.0
96.25577	0.5
99.80506	0.6
99.94436	0.6
123.08038	1.2
123.79710	0.6
131.03403	0.7
139.11214	0.8
141.09126	0.8
143.49176	0.7
151.11192	2.4
153.09035	0.9
161.04437	1.8
169.12265	3.7
197.11771	37.9
198.12086	2.5
200.68456	0.6
213.14958	0.7
221.15451	0.8
231.21156	1.8
236.10620	0.8
249.22205	0.8
272.42322	0.7
275.20157	20.1
276.20612	1.5
293.08795	2.1
293.21225	100.0
294.21539	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01251	5.9
61.52110	0.3
69.03318	0.8
71.01255	5.6
71.45795	0.5
72.99170	0.6
73.02819	1.7
81.03329	0.6
83.01258	0.8
83.04915	0.4
85.02818	2.1
87.00747	0.8
89.02311	4.7
93.03333	0.4
96.95892	0.4
97.02821	1.1
97.06477	0.8
99.00768	0.5
101.02320	1.0
113.02282	0.5
113.09610	3.3
123.08066	0.6
125.02313	0.9
125.09614	3.4
131.03412	1.0
141.12767	1.2
143.03380	0.5
149.04443	0.5
149.09674	1.4
156.13873	1.0
157.14186	1.5
161.04465	3.7
163.06070	0.4
179.10658	0.3
185.11754	7.6
186.12128	0.3
192.11531	0.4
195.13823	0.9
197.11803	2.7
205.12282	0.4
220.14594	1.8
221.15414	3.2
222.15941	0.5
235.17102	0.4
236.10565	2.9
249.22148	1.1
275.20352	1.5
293.08865	7.3
293.21216	100.0
294.09216	0.8
294.21530	9.0
301.74509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
59.00954	0.6
59.01250	10.0
69.03320	1.2
69.98016	0.6
71.01254	7.5
71.53271	0.6
72.99180	0.7
73.02824	1.9
83.01263	0.9
83.04903	0.6
85.02845	3.3
87.00742	1.0
89.02320	7.8
96.95877	0.8
97.02829	2.0
97.18304	0.5
99.00745	1.4
101.02319	1.7
111.08051	0.6
113.02348	0.8
113.09599	1.8
115.94862	0.5
120.35577	0.5
121.10126	0.9
125.02322	1.4
131.03389	2.1
131.07063	0.7
136.08842	1.8
139.11153	0.7
143.03391	1.0
149.04456	0.8
161.04477	6.0
163.06003	0.9
169.95326	0.5
171.10149	1.8
177.01836	0.7
179.10582	0.6
179.14326	1.1
179.61505	0.6
193.15910	4.0
195.13849	12.8
196.14558	0.6
205.12263	1.4
205.15929	0.8
211.13327	0.9
220.14638	2.5
221.15454	4.9
223.13350	7.8
224.13795	0.6
228.13631	1.4
231.21155	0.9
235.16818	0.9
236.10571	2.6
239.12981	0.7
249.18663	1.5
249.22206	0.7
256.13098	2.6
265.21637	0.9
275.20172	9.2
276.20361	0.6
293.08804	12.0
293.21222	100.0
294.09366	1.0
294.18219	0.9
294.21524	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.9
71.01252	3.3
71.24317	0.5
71.24617	0.4
72.99171	0.7
73.02839	0.8
79.95232	0.3
79.95599	1.9
85.02844	1.4
87.04385	0.3
89.02325	4.3
95.95091	0.5
96.95893	100.0
97.02841	1.3
99.00774	0.7
101.02342	1.0
114.27482	0.5
117.05434	0.3
121.10067	0.4
131.03319	0.8
143.03453	0.5
149.04471	0.4
161.04469	3.5
167.11465	0.4
171.10117	0.5
193.15910	0.5
197.06235	0.4
202.98055	0.4
220.14671	0.4
221.15366	1.2
236.10608	0.9
239.34724	0.4
275.20233	1.5
293.08902	7.3
293.17963	73.7
293.21118	5.6
294.18262	4.5
294.21387	0.6
302.82645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57178	0.5
55.01754	0.5
57.03312	0.7
57.74556	0.5
58.00468	1.5
58.97346	0.5
59.01251	33.8
63.13936	0.5
71.01257	19.5
71.10410	0.8
72.99190	1.7
73.02834	1.3
83.01259	1.9
85.02818	3.7
85.06461	12.2
85.99957	0.5
87.00769	1.6
89.01752	1.2
89.02319	22.7
95.01276	1.9
99.05108	0.5
100.00363	0.6
101.02324	17.5
113.02329	8.8
113.05977	4.6
115.07548	1.8
119.03401	10.1
127.07543	1.9
127.96265	0.5
131.03386	1.1
131.07037	70.0
132.07359	2.1
143.03447	0.9
149.04556	0.6
161.04471	2.0
173.08125	2.2
179.05476	0.8
181.04955	0.5
193.41478	0.5
293.12430	100.0
294.12784	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60460	0.3
52.32534	0.3
59.01250	0.5
64.74474	0.3
69.39381	0.8
69.39796	1.2
71.01257	8.2
85.02795	0.3
98.20654	0.3
111.34698	0.3
118.26848	0.3
127.07571	0.6
130.27066	0.3
148.05190	1.7
151.07582	0.5
161.04382	0.3
164.08348	1.2
177.09140	5.2
192.11490	6.7
193.12056	0.7
195.13795	0.5
205.12282	7.3
205.56277	0.3
206.12572	0.3
207.13844	1.1
217.08652	0.5
218.09386	2.1
220.12379	0.5
220.14639	49.1
221.15414	100.0
222.15775	5.9
235.13431	1.0
236.10504	72.7
237.10861	4.4
275.20175	0.8
293.08850	1.1
293.17612	7.9
293.21240	4.8
294.17917	0.4
294.21716	0.4
297.55115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35004	1.1
53.84084	1.0
55.01749	1.3
58.00481	1.5
59.01252	53.5
64.66145	1.3
71.01266	26.8
72.99168	2.0
77.92016	1.3
83.01281	2.8
85.02831	5.9
85.06468	13.9
87.00727	1.8
89.02322	34.2
90.02674	1.6
96.81061	1.1
99.00763	1.6
101.02323	19.5
113.02322	10.3
113.05273	1.2
113.05967	6.4
115.07544	3.0
119.03394	12.6
127.07561	3.5
131.07042	89.6
132.07367	3.2
143.14861	1.1
163.26619	1.3
173.08179	2.2
179.05539	1.7
199.19664	1.5
286.49902	1.5
293.12424	100.0
294.12720	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
58.00462	3.6
59.01254	63.1
60.01582	0.9
71.01258	35.8
71.23588	1.2
71.23913	1.0
72.01601	1.0
72.99191	3.2
73.02823	3.2
83.01257	3.3
85.02828	8.3
85.06467	24.3
87.00754	3.3
89.02325	36.3
93.36642	0.9
95.01266	2.3
99.00794	1.0
101.02331	23.8
113.02329	14.5
113.05981	5.8
114.06360	0.9
115.07537	4.0
119.03389	12.2
125.02312	0.9
127.07556	2.7
131.03429	1.6
131.07042	100.0
132.07379	3.7
161.04471	3.3
173.08133	2.4
245.98734	0.8
293.09253	3.7
293.12433	90.2
294.12643	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	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03321	1.7
58.00468	2.3
59.00954	2.7
59.01251	51.9
69.03325	6.2
69.80948	6.4
71.01257	45.5
72.99188	6.6
73.02820	8.6
75.00721	1.7
76.55303	1.3
81.03336	3.1
83.01257	5.5
85.02827	15.7
87.00743	3.3
89.02319	65.0
94.63944	1.2
97.02824	16.7
98.20564	1.7
99.00783	6.9
99.04390	2.1
101.02341	6.5
107.32738	1.3
108.63233	1.4
113.02319	5.3
113.80786	1.4
115.03898	2.4
117.05461	3.8
125.02332	9.2
131.03374	14.1
131.06981	1.4
143.03418	6.3
149.04469	5.7
159.02754	1.4
161.04471	43.4
162.04799	1.6
163.06038	10.3
293.08795	100.0
293.21277	4.6
294.09048	3.3
313.55923	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02050	1.2
55.01756	3.1
57.03330	8.7
58.00466	6.4
59.01251	100.0
60.01596	1.4
67.01747	1.8
69.03333	9.1
69.59139	2.9
69.59547	7.5
71.01255	97.0
71.04897	3.2
72.99176	7.5
73.02822	50.3
75.00742	4.1
78.95822	1.6
79.95615	2.8
81.03336	6.2
83.01258	7.6
83.04917	3.1
85.02824	93.7
87.00751	15.2
87.04411	5.7
89.02319	91.4
93.03364	1.6
95.01308	2.9
96.95873	3.9
97.02823	19.8
98.19799	2.5
99.00757	43.5
99.04414	5.7
100.80914	1.5
101.02325	60.4
106.62296	1.3
111.00732	2.2
111.04386	1.5
113.01562	1.4
113.02327	23.9
115.00264	1.5
115.03895	18.8
117.05463	2.4
119.03405	4.1
125.02322	15.9
129.01811	1.8
130.99734	1.8
131.03423	14.3
133.04985	2.9
133.06581	1.6
139.03932	1.5
143.03409	21.2
145.04965	13.6
149.04462	9.1
149.05894	3.1
159.03070	1.9
159.04356	3.0
161.02361	1.9
161.04471	25.2
163.04036	1.6
163.06032	4.8
173.04501	2.0
181.05113	1.9
181.84036	1.6
191.05574	11.5
231.26822	1.4
235.06068	1.7
285.81549	1.5
293.03391	4.9
293.08820	64.6
293.12482	6.1
293.21237	3.5
294.09137	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26355	1.1
52.22668	0.8
57.03313	2.7
59.55712	1.0
69.03307	0.8
69.23062	6.1
69.23479	2.3
86.35480	0.8
93.06985	1.8
97.06467	2.2
98.19764	1.5
121.10122	18.8
123.08051	1.3
125.09605	10.0
141.12749	1.8
147.08067	1.3
185.10197	1.6
185.11754	20.3
197.11807	4.1
209.11758	1.7
211.13359	2.5
223.13457	1.5
247.20642	1.7
273.18588	2.2
291.19666	100.0
292.19986	7.5
294.69833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01768	0.7
56.52946	0.6
57.03309	1.3
59.01258	3.0
69.23309	5.3
71.04894	19.6
97.06462	4.8
105.03607	0.6
111.08038	6.6
134.76907	0.7
139.11232	0.8
146.36099	0.7
149.09550	0.9
152.22119	0.6
163.14755	0.7
167.10732	1.1
177.12801	0.8
179.10689	1.3
181.12184	1.3
195.13855	4.5
207.13765	1.8
218.35306	0.6
219.13823	2.1
235.16908	3.4
247.20645	2.7
273.18619	2.3
291.19650	100.0
292.20004	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.21199	0.4
59.01233	0.6
63.73807	0.5
70.03642	2.1
72.70981	0.5
73.02821	49.7
74.03152	0.8
88.17899	0.4
106.83224	0.5
118.40377	0.5
127.31231	0.4
128.85422	0.4
129.11232	0.5
144.92854	0.4
149.37900	0.5
171.70869	0.5
177.01836	1.6
219.21194	0.8
247.20767	0.5
271.64941	0.5
291.19666	100.0
292.19986	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.18093	0.6
60.66446	0.6
66.31239	0.7
70.29733	2.0
123.60161	0.8
148.08830	2.3
150.10390	0.8
163.11206	0.9
165.12769	21.5
166.13123	1.2
173.55875	0.7
175.11168	0.9
175.57095	0.6
191.14386	0.9
197.18309	0.7
202.16512	0.7
247.20659	9.9
273.18631	6.4
290.07498	0.7
291.19662	100.0
292.20004	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
64.00363	0.2
71.01250	0.3
80.02548	1.4
81.03334	1.0
83.04884	0.6
95.04887	1.2
97.06487	0.3
98.19767	0.7
105.06979	0.2
106.04121	2.1
106.67233	0.2
107.04903	0.7
109.06478	13.1
110.06796	0.5
111.08041	2.6
117.06960	0.3
119.04945	0.4
119.08603	0.2
120.05683	0.7
121.06480	0.6
121.10099	0.4
123.08049	2.4
135.08055	0.7
135.11719	0.4
137.09639	1.3
139.11197	0.2
141.09180	0.3
143.10683	2.4
145.06499	4.3
147.08073	0.4
149.09612	2.4
151.11194	1.3
159.08104	0.6
161.09709	0.4
163.11238	1.0
165.09059	0.3
167.10699	2.8
173.09570	0.2
174.03081	0.6
177.09073	0.4
177.12794	0.4
179.10701	1.3
181.12299	0.8
188.04732	0.3
189.05418	0.3
191.14375	0.7
193.15442	0.2
203.07143	0.7
215.14406	0.4
217.15906	0.5
227.18102	0.3
229.15909	0.3
230.07755	0.3
243.17418	0.4
245.19055	6.6
246.19426	0.6
259.02484	0.6
259.13422	0.4
261.18668	0.6
271.17032	2.1
273.14972	1.2
287.16589	2.7
288.16806	0.4
289.18088	100.0
290.18427	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	289.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42735	2.1
54.27691	2.1
54.98462	2.4
69.68846	14.5
88.75720	2.4
109.02853	3.5
109.06469	3.7
137.02264	3.0
146.03639	3.1
147.04445	10.1
159.04443	10.9
162.03076	3.1
171.04451	5.6
172.05226	41.2
173.05933	14.2
174.03156	39.5
175.03700	4.0
183.04453	7.8
184.05110	3.2
185.05975	10.9
186.06720	12.6
187.03943	10.7
187.07574	44.9
188.04659	7.1
188.08000	3.3
189.01845	17.2
191.07129	3.8
199.03967	49.6
200.04720	79.1
201.05453	30.7
201.09123	13.9
202.06187	9.0
203.07071	55.6
204.04259	19.3
204.07402	4.8
205.04897	3.8
211.03947	7.1
211.07571	3.9
213.05508	13.2
213.09103	2.5
214.06299	13.1
215.07082	87.4
216.00630	2.6
216.07672	11.0
218.05753	3.1
219.06613	4.5
224.04701	6.3
225.79106	2.6
227.03508	20.7
227.07155	8.6
227.10637	3.4
228.04247	91.1
228.07889	10.6
229.05003	28.0
229.08640	42.1
230.05751	9.8
230.08928	2.8
231.06592	3.1
232.03712	6.5
239.07169	17.2
240.07742	3.5
242.05690	6.3
245.08134	4.1
245.11795	4.1
246.08852	6.7
257.08197	100.0
258.08801	12.0
259.02438	14.7
259.09836	4.8
274.04959	8.7
289.07281	8.6
289.10831	36.3
289.18045	14.9
290.10876	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.08023	0.3
51.90924	0.3
53.01027	0.3
58.22523	0.4
61.34006	0.3
61.95143	0.4
71.10255	0.8
81.03322	0.7
87.12787	0.3
92.04890	0.4
93.03316	0.7
106.07195	0.3
106.44893	0.3
107.03629	0.4
108.02074	0.3
108.04427	2.9
108.26952	0.3
109.02839	3.1
119.08565	1.0
121.02837	0.5
124.01566	0.7
126.70708	0.4
134.02379	41.7
135.03207	6.7
136.03944	37.4
137.02370	1.9
137.04277	1.7
140.88593	0.4
148.03957	1.7
149.04701	1.5
176.03452	5.9
177.04108	0.4
181.03801	0.4
184.79863	0.4
190.05043	0.8
204.06490	0.4
274.05026	0.4
288.16061	100.0
289.16162	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	289.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31837	1.4
51.72669	1.3
57.03319	3.4
57.86995	1.4
58.77420	1.7
58.92434	1.7
67.01759	1.4
69.03329	2.7
70.68024	3.2
71.01248	3.7
72.99165	1.9
81.03331	2.9
83.01243	1.8
83.04897	4.4
85.02824	3.3
87.00754	100.0
88.01094	1.7
93.03345	4.3
95.01270	4.3
95.04907	5.8
97.02830	4.4
97.06525	1.8
99.04475	1.5
100.48430	1.4
107.04922	2.1
108.02004	3.5
109.02828	3.5
111.00774	10.4
111.04416	4.4
112.67377	1.5
119.04921	5.7
121.02845	10.2
121.06470	4.2
123.00772	14.5
123.04417	13.3
124.01579	12.3
125.02303	2.3
130.99759	28.2
135.04477	1.7
137.02310	4.7
137.05980	4.2
138.03110	2.7
139.03909	19.7
141.01859	2.5
147.04436	6.8
149.02356	1.5
149.05989	4.2
150.03104	1.6
163.03902	4.8
165.05507	11.8
167.03433	6.3
177.05467	1.9
179.03365	2.7
181.04970	6.5
190.02477	1.5
191.03442	2.7
209.04478	1.9
211.02484	2.3
226.07202	1.4
227.93396	1.5
235.02422	2.2
237.04085	1.9
238.04916	1.6
239.05544	14.0
255.05109	5.7
271.04599	2.9
289.05566	32.0
290.05948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1082
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
57.03329	11.8
59.01248	1.8
64.22855	1.2
65.03804	1.3
69.03316	3.9
69.70547	1.9
69.70959	4.6
73.02814	1.8
79.05418	1.2
81.03350	2.2
84.02056	1.3
85.02805	1.7
90.94546	1.2
91.05417	1.3
91.68103	1.2
93.03232	1.5
95.04864	2.2
97.06476	3.7
98.19848	1.2
101.02322	11.2
109.02822	5.5
113.02325	2.1
119.04883	1.5
121.02859	2.3
123.04430	1.5
124.01535	1.4
134.18243	1.1
135.04404	2.0
137.02353	3.0
139.03885	3.0
143.04924	1.3
144.05688	1.6
145.06470	4.1
146.03630	6.0
147.04420	32.3
148.05244	7.2
149.05962	4.1
155.04913	3.8
157.06378	1.3
158.03616	1.8
159.03194	1.8
159.04436	29.5
160.05261	9.0
161.05969	11.4
162.06705	1.7
163.03987	1.6
163.07567	6.8
169.06636	1.3
172.05215	42.4
173.05991	93.9
173.16324	1.3
174.03130	5.6
174.06583	7.9
175.03867	7.4
175.07541	8.0
176.04701	22.4
183.04424	3.5
183.08052	1.3
185.05983	5.3
186.06775	15.8
187.03943	11.5
187.07564	55.5
188.04674	2.1
188.08322	8.5
189.05516	20.7
189.09131	20.6
190.05984	1.9
190.09494	2.0
191.03389	2.7
192.04178	5.4
196.05229	2.9
197.06012	26.6
198.06790	12.7
199.07483	4.5
199.11223	1.7
200.04733	7.7
200.08347	3.4
201.05511	32.5
201.09145	81.4
202.06056	2.2
202.09471	5.0
203.07045	5.1
204.04195	5.4
204.07843	29.8
205.08250	2.1
209.09743	2.5
211.07585	6.6
212.08315	5.4
213.05519	1.4
213.08974	2.6
214.06207	1.6
215.07088	34.6
215.10406	1.9
216.07857	32.9
216.11276	1.6
217.04935	3.9
217.08293	3.0
217.12302	6.7
218.05676	2.3
219.10239	1.6
225.09119	9.4
226.09779	2.9
227.10728	100.0
228.10979	8.6
229.08627	8.7
230.09061	2.1
243.10266	3.0
245.08034	3.1
245.11787	88.3
246.12163	7.2
260.06857	5.6
271.09744	15.8
272.10065	1.6
289.10800	73.5
290.11215	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	287.0928
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
59.01254	1.6
66.82776	1.1
69.03339	1.5
71.52719	1.5
73.12862	1.0
85.02798	1.8
87.00734	1.9
93.03326	1.7
111.00758	3.0
113.02285	1.3
146.03625	11.8
147.04381	2.0
149.05995	1.8
155.04784	1.2
158.03590	1.7
159.04408	6.0
160.05125	1.6
169.06578	1.0
171.04419	5.8
172.05161	8.0
173.04585	1.9
173.06001	16.1
174.03134	11.2
174.06706	6.6
175.03975	1.3
175.07561	14.6
185.06000	10.5
186.06792	34.7
187.03938	46.0
187.07558	7.4
188.04535	4.1
196.05310	5.7
197.06021	2.8
197.09599	2.1
199.03958	8.9
199.07579	10.5
200.04668	1.9
200.08351	5.4
201.05394	3.6
201.09093	3.2
202.06293	68.0
203.06882	8.7
209.06006	2.7
210.06778	1.9
211.03900	1.1
212.04794	2.2
213.05525	8.0
213.09113	3.4
214.06302	54.0
214.09747	3.0
215.06743	4.0
215.10715	50.3
215.12828	1.8
216.11002	3.1
223.07591	4.6
225.09184	15.5
226.09718	1.4
227.07076	1.4
228.07881	3.4
229.08650	2.6
241.08704	6.5
242.08936	1.1
243.10243	100.0
244.10574	7.9
245.08073	1.5
253.61362	1.0
259.09741	18.6
260.09933	2.0
269.08188	2.3
272.06619	1.2
287.02524	1.9
287.05606	6.4
287.09232	61.2
288.09576	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	287.0927
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
55.01752	0.9
59.01242	2.4
61.98688	0.7
69.03335	2.0
71.53296	1.2
80.82305	0.7
85.02838	2.1
93.03355	1.0
95.68218	0.7
109.02821	1.6
111.00768	2.1
121.02863	0.9
123.00816	0.8
143.04886	0.8
145.02840	1.4
145.06464	0.8
146.03647	11.6
146.96802	0.8
147.04408	1.3
155.04921	1.0
156.05757	1.0
157.06453	1.1
159.04414	6.4
160.05138	1.0
163.00317	0.7
171.04456	5.5
171.08142	0.8
172.05258	5.6
173.02316	1.5
173.05988	16.3
174.03131	8.9
174.06767	6.5
175.03972	1.1
175.07573	14.0
177.01964	1.0
182.07271	0.8
184.05270	1.1
185.06013	11.1
186.06786	31.7
187.03940	38.6
187.07483	8.8
188.04610	4.6
189.05435	1.3
196.05260	4.4
197.05957	1.8
197.09686	3.1
199.03906	7.6
199.07550	9.6
200.04771	4.4
200.08318	4.9
201.05492	3.1
201.09096	3.2
202.06294	61.7
203.06943	8.7
209.06044	2.9
210.06779	2.1
212.04713	2.0
213.05551	8.3
213.09177	2.9
214.06303	48.0
214.09845	3.7
215.03474	1.4
215.06981	5.3
215.10718	46.0
216.11105	3.6
223.07587	4.1
224.08171	0.9
225.09192	17.6
226.09605	1.9
227.07092	2.4
228.07831	2.2
240.04248	1.3
241.08600	5.4
242.09384	1.1
243.10237	100.0
244.10526	9.3
245.08327	1.3
259.09753	20.1
260.10135	1.1
269.08350	1.5
287.02048	2.9
287.05646	2.6
287.09250	55.9
288.09595	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.20226	0.6
57.03320	1.0
59.01259	1.1
61.98686	0.6
68.63467	0.6
70.94127	0.6
71.53427	0.9
85.02846	0.6
95.01280	0.7
100.39009	0.6
109.02818	1.1
123.04351	0.8
136.29292	0.6
156.19272	0.6
221.19058	1.0
223.20627	61.9
224.20970	5.4
241.21681	2.1
257.04401	0.7
259.99789	0.5
267.19669	34.5
268.19968	2.4
270.01547	0.7
273.50168	0.5
285.04013	5.1
285.07672	2.0
285.20712	100.0
285.27048	3.5
286.20990	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	287.0563
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
56.08701	0.3
58.60192	0.3
63.02279	1.9
65.00197	12.4
71.01237	0.5
74.16190	0.3
82.91969	0.4
83.01254	5.9
85.02840	0.3
91.01801	0.7
91.05433	0.5
107.01277	16.4
107.04903	0.6
108.02076	0.7
109.02834	3.7
117.03350	0.9
119.04922	1.0
121.02817	0.6
123.00772	0.5
124.01608	0.6
125.02335	3.2
133.02823	0.4
134.03648	2.4
135.04416	100.0
136.01593	0.7
136.04739	3.7
137.02339	1.2
138.03105	0.4
145.02867	2.5
146.03223	1.1
149.05905	0.4
151.00276	75.2
151.03912	1.4
152.00623	2.9
155.04903	0.4
161.02371	1.2
163.03870	0.6
165.01888	0.6
169.01355	0.8
177.01776	0.6
201.05431	0.4
211.07738	0.5
214.06305	0.4
215.10806	0.5
227.07085	0.4
243.10223	1.1
270.26202	0.4
272.06955	0.7
287.05591	10.3
287.09219	3.1
288.06000	1.2
302.01895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
59.01252	1.2
62.11445	0.9
69.24251	9.4
70.14702	0.9
71.36044	1.0
87.76510	1.0
93.03332	1.1
98.19823	1.6
99.00748	1.5
109.02870	2.1
111.00733	1.8
121.02847	1.2
121.06437	1.1
139.03831	1.8
143.04904	2.0
145.02826	1.3
146.03604	2.9
147.04350	1.5
156.05707	1.0
157.06389	1.1
159.04390	6.3
161.02318	1.7
167.04935	1.4
168.05679	2.5
169.06450	1.6
169.10120	1.9
170.07253	1.3
171.04411	3.7
171.08037	1.3
172.05202	11.0
173.06035	7.6
174.03116	2.8
174.06776	1.2
175.03815	1.7
181.06467	1.5
183.04250	1.1
184.05165	2.1
185.06017	16.5
186.06787	6.0
187.03885	4.2
187.07565	7.7
187.11259	1.3
188.04716	6.3
189.05434	2.8
189.09062	2.6
195.04454	4.2
196.05219	15.3
197.06009	7.4
197.09703	6.1
198.03102	1.8
199.03966	6.6
199.07584	13.4
199.11172	2.8
200.04732	14.8
200.08353	5.9
201.05515	10.0
201.09154	3.9
202.06252	2.8
203.03493	2.0
203.07047	1.5
204.04100	2.5
209.06024	6.6
210.06721	3.5
211.03955	1.2
212.04726	1.9
213.05533	20.6
213.08936	4.6
214.02823	1.8
214.06305	25.2
214.09854	3.4
215.03497	1.2
215.06921	4.3
215.10695	22.4
216.11003	1.7
217.13403	1.2
218.01987	1.4
223.07545	8.9
224.08302	4.2
225.09145	28.6
226.09590	3.0
227.03482	2.3
227.07062	4.0
228.04250	2.2
228.07784	4.6
229.04851	1.8
229.08630	1.3
232.03813	6.0
240.04216	1.2
241.08609	8.4
242.09386	2.5
243.10240	100.0
244.03741	5.2
244.10585	9.1
245.04297	1.1
245.08080	1.6
255.06541	1.4
257.04520	2.2
258.05255	1.3
259.06097	1.2
259.09662	4.1
262.20938	0.9
264.80200	1.0
269.08203	5.4
287.05637	7.9
287.09219	62.3
288.09555	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	285.0769
Annotation	Scorzocreticin
Peak:m/z	Relative Intensity
50.65545	0.8
56.02670	0.9
58.03517	0.7
59.01246	2.0
64.88873	0.7
65.00198	1.3
78.95770	1.7
82.30314	0.7
82.30877	0.7
85.02811	1.1
91.01759	1.3
93.03356	1.5
108.02042	1.1
109.02806	3.0
110.21291	0.7
117.03356	1.5
121.02825	0.8
123.04414	1.8
125.84000	0.8
129.06960	1.0
134.03619	1.1
135.00777	1.0
135.22087	1.1
137.52907	0.8
145.02834	3.6
145.06454	3.4
148.01607	1.0
149.02325	1.4
149.05894	1.1
153.01877	0.8
155.04913	1.1
156.05714	3.7
157.06474	2.8
157.10168	0.7
158.03671	3.9
159.04443	4.9
163.03893	1.0
167.04945	1.5
169.02766	1.3
169.06491	1.8
169.10098	1.3
170.07253	3.6
171.04308	1.4
171.07999	1.2
172.05185	2.5
173.02368	17.8
173.06003	17.5
174.03145	1.6
174.06792	17.2
178.29753	1.0
180.05748	1.8
182.03535	0.9
183.04439	9.7
184.05212	13.2
184.08838	2.7
185.06036	14.4
185.07587	1.4
185.07918	0.9
185.09627	13.1
186.03210	1.4
186.06628	0.9
186.10057	1.0
187.03925	16.0
188.04652	1.3
195.04442	1.9
195.08061	3.8
196.05180	2.5
197.02356	2.0
197.06021	13.3
197.09644	2.5
198.03166	1.6
198.06773	10.6
199.03854	1.5
199.07500	1.2
200.04713	1.9
201.05502	12.3
202.06297	97.8
203.06599	5.4
208.05194	3.0
209.06174	1.0
211.03973	16.9
211.07513	7.1
212.02841	1.7
212.04747	22.9
212.08270	9.2
212.44492	0.9
213.02103	1.4
213.05586	22.1
213.09146	47.1
213.21228	0.9
213.72395	0.8
214.06017	1.2
214.09460	2.3
223.07611	6.8
224.04732	2.0
225.05553	10.4
226.06271	8.6
227.03473	4.8
229.08621	3.3
230.05632	1.1
239.07002	3.6
241.08678	69.1
242.02138	2.7
242.08946	4.6
255.03011	5.7
256.03723	6.3
257.04065	1.1
257.08316	4.3
258.05212	0.9
270.01697	2.8
270.05280	8.9
284.26801	9.6
285.04123	14.3
285.07654	100.0
285.20694	1.3
285.27026	2.3
286.08026	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81876	0.3
63.01973	0.3
63.02266	2.1
64.53072	0.3
65.00195	0.9
71.54378	0.3
83.01222	0.7
85.29455	0.3
87.24033	0.3
91.01759	1.0
93.03332	0.5
97.06478	0.3
107.01273	1.6
109.02823	0.9
112.36053	0.3
121.02829	0.6
123.04462	0.5
124.06013	0.3
131.04872	0.5
133.02866	1.6
135.00761	0.6
135.04449	0.4
139.03908	0.5
141.06912	0.4
143.04915	0.3
145.02802	0.4
147.04428	1.1
148.01558	1.0
148.05087	0.5
148.48575	0.3
149.02347	4.1
149.06010	0.6
151.00238	1.4
151.03935	0.6
151.94768	0.3
157.06497	0.4
158.03560	0.3
159.04332	0.6
167.04956	0.6
169.06444	0.3
171.04410	1.0
173.02397	0.4
175.03967	1.1
176.01097	1.3
177.01822	1.3
183.04257	0.4
185.06152	2.0
187.03984	0.6
189.05461	0.6
191.03371	0.3
193.04912	0.6
195.04465	0.5
196.05176	0.5
197.05994	0.6
198.03128	0.6
199.03931	0.9
211.03979	1.2
212.04659	0.9
213.05499	1.4
213.09071	0.8
215.03374	0.8
217.05005	0.8
218.05354	0.3
227.03421	1.0
228.04041	0.3
229.04984	4.4
239.03374	0.8
240.03995	0.6
241.05025	0.9
241.08740	0.6
242.02173	1.4
243.02972	0.8
255.03082	0.7
256.03549	0.6
257.04559	7.7
258.04916	0.6
267.03015	0.4
268.03802	0.5
283.02560	0.5
284.03220	0.8
285.04044	100.0
286.04401	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.01257	0.6
61.76448	0.3
63.02249	0.9
65.00198	3.2
66.90940	0.3
67.01806	0.3
71.54463	0.5
81.03304	0.3
83.01268	2.3
84.86652	0.3
87.00765	0.9
91.01780	1.9
92.49127	0.3
93.03316	0.7
95.01302	0.4
97.06467	2.8
98.06796	0.5
102.71198	0.3
104.27708	0.3
105.03325	0.7
107.01274	4.6
108.02097	0.6
109.02820	0.5
117.03351	0.9
119.04930	1.4
121.02864	1.5
123.04433	0.6
125.02327	0.4
130.99777	0.6
131.04929	1.0
132.02130	0.3
133.02847	23.4
134.03665	3.1
135.00749	2.2
135.04424	0.9
137.02354	1.2
139.03882	0.3
143.04974	0.6
145.02867	3.0
145.06493	0.4
146.03607	0.3
147.04417	2.7
148.01587	0.5
148.03404	0.6
148.05154	0.3
149.02348	6.0
149.06009	2.0
150.02650	0.3
150.06357	0.4
151.00275	8.3
152.00650	0.4
153.01852	1.9
153.02921	0.3
155.04892	0.4
159.04440	0.4
161.02332	0.7
161.04195	0.3
162.03082	0.3
163.03931	0.8
169.06540	0.5
171.04445	0.8
173.05936	0.6
175.03932	4.6
176.04547	0.6
180.00604	0.4
185.05902	0.7
187.03984	0.4
189.05492	0.8
191.03433	2.5
192.04027	1.0
197.06044	0.9
198.03169	0.9
199.03925	6.0
200.04306	0.4
201.01909	1.9
201.05553	0.4
201.98007	0.3
211.03951	0.8
212.04807	0.5
213.05447	2.2
215.03426	1.0
215.06999	0.4
217.04951	2.5
223.03972	0.7
223.07527	0.5
226.02782	0.4
229.04973	0.6
239.03477	0.4
240.04294	0.3
241.05054	1.7
241.08727	0.9
242.02039	0.3
243.02930	1.0
257.04541	2.4
257.08295	0.6
267.03168	0.4
270.01776	0.4
270.05200	0.9
284.26779	1.0
285.04050	100.0
285.07523	5.7
285.14810	1.3
285.26956	0.5
286.04398	8.6
286.07922	0.7
297.07672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01312	0.7
60.88382	0.5
65.00000	0.5
69.36710	3.8
77.74961	0.4
91.01879	1.9
103.12227	0.5
104.82915	0.6
119.01363	1.6
119.68480	0.5
121.02940	0.9
122.26756	0.4
128.58980	0.4
131.52255	0.5
132.02074	5.4
135.00780	6.5
147.00848	0.9
148.01634	0.6
151.00371	0.8
153.01938	1.7
167.05003	0.8
171.04536	0.6
182.03729	0.7
183.04500	1.6
184.05219	0.9
195.04510	2.0
196.05273	1.6
198.03145	3.0
199.04048	0.7
200.04765	1.0
207.04359	0.4
211.03912	6.7
212.04620	2.1
223.03961	5.1
224.04730	12.3
224.06964	0.7
225.05234	0.8
226.02747	1.3
227.03557	1.0
239.03465	10.8
239.07097	0.8
240.04141	5.5
251.03403	1.4
255.02972	15.9
256.03345	1.2
267.02982	20.6
268.03748	81.4
269.04095	6.6
283.02646	6.9
283.06082	100.0
283.26364	7.9
284.03116	2.0
284.06436	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	283.0612
Annotation	Glycitein
Peak:m/z	Relative Intensity
50.53171	0.3
53.57818	0.3
59.01262	0.7
69.29440	1.8
69.29862	0.7
90.57468	0.2
91.01763	6.2
93.03374	1.1
98.20578	0.5
108.02067	0.3
132.02069	1.9
133.02876	0.5
135.00781	15.1
136.01163	0.4
140.05650	0.3
147.00742	1.5
147.04494	0.3
148.01613	0.3
153.01855	4.2
159.19084	0.3
170.03638	0.4
175.00261	0.3
176.01053	0.7
180.05751	0.4
182.03665	0.9
183.04486	1.4
184.05177	1.0
195.04468	4.2
196.05226	3.1
197.05727	0.3
198.03152	5.6
199.03880	1.1
200.04691	2.0
202.06410	0.3
207.04443	1.7
211.03940	4.7
212.04601	1.2
223.03972	3.6
224.04741	25.5
225.05122	1.8
226.02692	0.3
227.03575	0.3
236.07582	0.3
238.61957	0.3
239.03471	3.7
239.07048	1.7
240.04219	3.8
251.03532	0.4
255.02834	0.4
267.02979	2.5
268.03760	68.3
269.04108	6.1
283.06110	100.0
283.26404	6.2
284.06454	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	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67336	0.9
70.67701	0.8
70.83523	0.4
71.29913	0.4
84.68820	0.4
91.01749	2.4
95.80518	0.4
96.50044	0.4
108.02054	1.4
123.33947	0.4
131.36482	0.4
132.02075	0.6
135.00781	5.1
136.01111	0.4
148.01576	4.6
153.01828	1.3
156.05721	1.1
160.01563	0.9
183.04462	1.7
184.05234	4.8
195.04456	3.3
196.05174	1.8
198.03229	0.5
201.08925	0.5
211.01904	0.8
211.03955	17.6
212.04611	3.8
223.03972	1.9
224.04683	3.1
239.03479	11.9
240.04219	9.3
241.04518	0.8
251.03453	1.2
255.02988	2.1
267.03009	5.1
268.03757	100.0
269.04077	8.4
283.06113	58.7
283.26337	1.7
284.06393	4.5
303.97415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32966	0.2
87.14385	0.2
90.90102	0.3
91.01757	3.0
91.93390	0.3
94.02680	0.2
97.06485	0.3
98.19849	0.7
108.02040	1.3
120.45923	0.3
132.02078	1.1
135.00772	5.7
137.02353	0.5
147.04439	0.9
148.01572	6.8
148.05219	0.3
153.01848	1.4
156.04675	0.3
156.05692	1.6
160.01596	1.2
167.04999	0.5
171.04410	0.6
172.05174	0.3
183.04408	2.3
184.05217	5.7
185.05673	0.3
191.03391	0.5
195.04419	4.1
196.05206	2.0
198.03186	0.5
199.03883	0.5
211.03954	19.2
212.04576	3.1
213.01772	0.3
223.03938	2.6
224.04758	3.3
227.03381	0.3
239.03474	13.3
240.04201	8.2
241.04549	0.5
251.03381	1.2
255.02977	0.5
258.58685	0.3
267.02930	6.1
268.03757	100.0
269.04105	8.2
269.06888	0.6
283.06110	70.0
283.26321	2.9
284.06479	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44218	0.7
69.44650	1.2
73.42780	0.2
91.01780	0.6
132.02065	5.5
133.02470	0.3
135.00757	1.7
151.00298	0.6
153.01874	0.3
154.04179	0.4
167.04932	0.6
180.05679	0.4
183.04430	0.4
184.05199	0.7
195.04477	1.8
196.05231	1.5
198.03081	0.5
211.03951	6.8
212.04660	2.3
222.03186	0.3
223.03949	3.9
224.04713	3.2
226.02672	2.7
227.03082	0.3
235.08400	0.2
239.03467	14.4
240.04163	5.1
241.04625	0.5
267.02975	16.7
268.03748	93.6
269.01196	0.5
269.04114	8.3
283.06104	100.0
283.26318	2.4
284.06448	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
51.74986	1.7
53.73642	1.4
57.03326	20.3
59.01248	13.0
65.03828	4.2
69.03307	2.1
70.70771	4.5
71.01254	4.5
75.18865	1.3
80.44204	1.4
81.26788	1.4
83.04897	18.0
83.98917	1.4
85.02834	3.3
87.00753	23.9
93.03339	2.8
95.04893	7.3
110.11353	1.7
111.04400	7.1
111.08041	4.1
113.02323	3.2
117.73071	1.7
119.08561	2.2
121.06539	10.0
123.08057	39.2
124.05165	5.0
129.06975	2.4
135.08054	2.9
137.09616	5.2
138.06746	2.4
139.07527	6.5
143.08577	1.9
145.10127	5.8
151.07558	4.3
153.09134	6.0
169.08731	1.8
169.10146	6.6
171.11708	46.5
172.12082	1.7
189.12759	19.7
201.12799	18.1
207.13831	7.7
219.13826	7.2
237.12552	3.9
237.14929	65.1
238.15182	4.5
281.13937	100.0
282.14349	7.8
282.22256	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	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59192	0.3
57.01010	0.3
69.93606	0.7
69.93987	1.1
74.24287	0.3
91.01772	3.7
92.02126	0.3
93.03402	0.9
98.19957	0.4
107.10275	0.4
119.01307	0.7
121.02840	0.4
132.02051	3.8
132.02936	0.3
132.41017	0.3
133.02849	0.4
135.00783	10.1
145.44997	0.4
147.00853	0.9
148.01588	0.7
153.01849	2.9
167.04976	0.6
170.03775	0.4
176.01125	0.5
180.05754	0.4
182.03717	0.5
183.04469	1.2
184.05272	1.2
195.04451	3.4
196.05228	2.0
198.03143	4.4
198.24052	0.3
199.03908	0.8
200.04764	0.9
207.04541	1.1
211.03957	5.2
212.04619	1.9
223.03958	3.9
224.04742	19.1
225.05119	1.3
226.02591	0.5
239.03448	6.3
239.07138	0.7
240.04196	4.4
251.03510	1.1
255.02956	5.4
256.03430	0.7
267.00763	0.2
267.02979	12.1
268.03760	72.4
269.04083	6.7
283.06107	100.0
283.26462	4.8
284.03708	0.4
284.06464	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	281.0458
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
59.01248	2.3
59.43605	0.3
62.20826	0.3
68.19267	0.3
69.23997	2.8
71.01250	0.4
73.41107	0.3
77.58733	0.3
89.02308	0.5
91.01772	3.6
96.55493	0.3
101.02325	0.4
113.02315	0.4
117.03374	0.7
132.02046	1.5
133.02888	2.7
135.00769	3.5
139.05479	0.3
143.04985	0.5
145.88829	0.3
153.01833	0.7
155.05006	0.3
161.02457	0.5
163.16907	0.3
167.04970	1.0
169.06514	1.1
180.05721	1.7
181.06519	1.0
183.04382	0.6
185.06020	1.3
195.04419	3.2
196.05237	2.3
197.05989	2.4
208.05223	3.8
209.06024	4.9
210.03093	0.3
211.03960	1.4
223.03958	4.9
224.04742	5.6
225.05511	5.3
229.39616	0.3
235.03885	0.6
237.05458	0.4
239.03491	0.7
251.03494	5.2
252.04250	6.5
253.05051	56.2
254.05359	4.4
279.03046	1.6
280.03586	0.5
281.04562	100.0
281.24863	0.7
282.04941	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14465	1.4
57.03324	1.4
59.01250	100.0
60.01608	1.8
60.28920	1.5
71.01249	8.3
71.04894	4.1
73.02831	5.2
81.03336	2.2
85.02826	2.5
87.00742	20.4
89.02326	3.6
90.42446	1.3
95.04930	3.2
98.53967	1.4
101.02329	4.3
107.04945	3.2
113.02350	3.3
113.06027	1.5
119.03402	2.1
120.05676	1.7
121.06443	1.7
122.14131	1.6
146.07202	1.4
152.04625	1.5
161.04443	3.3
161.09633	28.9
161.13281	6.0
169.10173	2.2
172.08902	1.5
173.62093	1.5
187.11215	51.0
188.11552	5.1
189.09161	5.9
205.12289	3.8
219.13858	17.6
220.14183	2.8
221.11723	2.4
237.15013	1.7
281.01050	2.2
281.13846	5.8
281.24835	6.6
295.90634	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	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54203	1.6
59.01252	100.0
71.01240	5.3
71.04895	4.5
73.02814	4.5
73.43079	1.3
80.76395	1.6
85.02798	2.3
86.72455	1.8
87.00751	17.2
89.02307	3.9
93.03327	3.4
101.02326	3.8
107.04898	2.4
113.05956	1.7
120.05669	2.1
121.06411	1.9
135.04430	1.7
146.07378	2.7
159.11684	1.6
160.55386	1.6
161.04506	2.3
161.09618	26.2
161.13275	5.5
173.04443	2.1
183.04460	3.9
187.11208	53.9
188.11603	2.9
189.09151	6.9
195.04514	3.0
205.12279	4.9
211.03893	4.1
219.13872	15.5
221.11816	2.2
226.60072	1.6
230.56097	2.1
237.14967	4.1
239.03407	13.4
267.03027	10.9
281.04422	4.7
281.13922	6.5
281.24799	4.8
282.05316	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	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.41834	0.8
57.03341	1.1
58.74824	1.0
59.01253	6.1
69.81772	0.9
71.01257	2.3
71.53143	1.2
73.02834	1.5
85.02817	2.0
89.02328	1.5
94.44735	0.8
97.06449	1.2
101.02315	3.4
105.36082	1.0
109.06559	0.9
113.02319	1.1
137.06053	1.0
195.13844	12.7
196.14389	1.3
205.12340	1.1
213.66507	0.9
217.19614	1.1
223.13359	9.5
228.13676	2.3
251.20116	1.5
256.13223	3.8
261.18567	10.0
262.19022	1.4
279.19678	100.0
279.23190	12.7
280.20026	7.5
280.23071	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01221	0.5
71.30263	0.8
73.02967	0.4
77.62405	0.4
83.01302	0.4
102.58405	0.4
116.99629	0.4
168.05565	0.4
261.22003	0.5
279.23285	100.0
280.20718	0.8
280.23657	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	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
57.03311	1.3
59.01251	7.8
68.57102	0.9
71.01253	3.0
71.08257	2.7
79.80188	0.9
85.02805	1.2
86.25695	0.9
93.21867	1.0
101.02304	1.8
105.06914	1.1
107.08550	38.4
108.08860	1.2
113.02419	1.4
120.30810	1.2
125.09652	1.5
127.11142	1.2
135.08092	1.2
139.07637	1.2
163.14737	1.7
171.10184	88.0
172.10503	3.6
185.11774	4.0
213.16862	1.0
217.19511	8.2
235.16986	3.5
261.18588	100.0
262.18900	7.1
279.16605	2.2
279.19632	55.6
279.23126	10.7
280.19958	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01226	1.0
69.80824	2.5
71.01280	0.5
72.00596	0.5
78.39374	0.4
99.02345	0.6
233.22643	0.7
275.20129	0.6
277.21713	100.0
278.22064	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.3
70.59872	0.2
70.81931	0.4
70.82248	0.2
71.01249	0.8
82.57071	0.2
83.04895	0.3
110.59367	0.2
121.02836	0.3
127.07586	0.5
177.01787	0.3
205.15968	0.3
233.22705	0.8
259.20685	0.5
275.20132	0.6
277.21710	100.0
278.18954	0.3
278.22061	8.2
284.95795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	22.0
71.01247	23.7
71.52995	16.8
72.99201	84.4
83.15087	10.2
85.02831	46.5
98.02347	11.6
103.26112	12.0
108.02036	21.1
111.00784	17.8
113.72633	11.9
120.38308	9.9
123.04518	12.3
130.04137	25.4
131.03636	23.6
131.04912	43.3
132.04424	20.0
132.12357	11.7
145.06482	55.7
147.04387	13.4
147.08005	14.9
148.07559	36.0
149.05983	85.9
163.07570	16.9
168.76241	12.4
172.07629	100.0
177.05484	23.9
179.03290	13.5
189.05440	27.4
190.08643	21.0
192.06674	13.0
193.05035	30.0
204.06541	29.8
216.06665	43.7
234.07739	20.9
277.21854	30.2
278.06723	71.7
278.22018	39.3
279.23282	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.22081	1.5
57.03314	1.7
58.00467	2.1
59.01251	47.3
61.81583	1.6
65.60786	1.6
71.01253	25.1
71.04889	8.0
71.52219	1.9
71.52620	2.5
73.02818	3.2
75.00733	1.7
85.02818	9.2
87.00803	1.8
89.02324	26.3
89.38880	1.5
95.01286	2.0
99.00794	1.6
99.04390	7.9
101.02329	19.4
113.02317	9.4
117.05468	67.1
119.03396	11.7
132.68297	1.6
147.06554	4.3
161.04413	2.0
205.67990	1.6
250.68901	1.5
279.10849	100.0
279.23254	9.2
280.11243	6.6
280.14063	1.6
289.00595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03323	12.9
59.01252	1.1
69.03322	1.9
71.01255	1.3
71.30956	0.8
71.31313	1.1
75.35266	0.8
83.04903	2.8
93.03342	1.4
94.04149	1.3
95.04388	0.8
95.04905	4.0
97.02834	8.1
97.06475	2.3
99.04414	1.1
107.04918	2.3
108.02037	1.2
109.02821	6.3
109.06469	7.0
111.04387	5.1
119.08553	3.4
119.09325	0.7
121.06496	5.8
122.03631	14.5
123.04396	2.8
124.05193	23.0
125.06014	5.1
135.04413	2.7
135.08067	1.2
136.05272	0.8
137.05978	13.7
137.09688	1.0
139.07549	100.0
140.07907	3.8
142.02675	1.0
145.10153	1.1
147.08064	3.8
148.05115	1.2
149.05942	1.0
151.07567	0.8
161.09627	1.0
163.07535	1.8
163.11189	1.7
168.07837	24.5
169.08418	1.6
171.08073	2.8
172.08829	0.9
175.11182	2.4
175.56813	0.8
177.12695	1.8
185.09573	0.9
187.11208	22.7
189.05453	1.8
189.09146	1.9
190.09927	3.9
205.12279	39.5
206.12639	2.3
217.12334	2.5
231.10197	1.6
235.13327	2.6
249.11212	1.5
279.12415	7.2
279.23117	1.2
280.12634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.69193	0.4
59.01252	4.9
60.97421	0.7
69.23300	3.5
71.01302	1.0
103.02184	0.7
103.78976	0.3
109.02891	0.4
113.04234	0.4
121.03181	4.7
121.40488	0.4
146.99323	0.5
147.08371	5.0
149.00839	0.6
151.08423	0.4
162.98877	0.4
165.00368	12.6
166.00449	0.5
180.99931	1.5
183.01511	0.4
186.08482	0.4
189.04001	0.8
191.05591	11.5
192.05804	0.5
205.07127	1.2
205.15855	0.8
207.05127	0.4
217.07155	1.0
218.05786	0.6
231.08725	1.7
233.10303	100.0
234.10457	9.7
259.15533	1.1
268.08453	0.4
277.09503	1.7
277.16559	84.5
277.21515	37.7
278.16748	9.7
278.21851	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	277.1081
Annotation	epi-Radulifolin A
Peak:m/z	Relative Intensity
59.01249	5.2
69.03317	1.9
71.01266	8.9
72.99171	0.9
73.02808	2.0
75.00743	1.2
85.02821	7.0
87.00768	1.2
93.03351	1.3
95.04958	1.2
97.06452	1.2
99.23057	0.9
101.02330	1.2
109.02846	2.4
111.00821	1.4
113.02368	5.4
115.05486	1.0
119.04904	1.3
121.02827	2.5
122.03590	3.1
123.04412	11.8
127.07558	1.1
135.04399	1.7
136.07599	2.4
137.02380	2.0
146.02673	1.0
146.03627	5.2
147.04420	4.0
148.05196	6.8
149.02310	2.2
149.06010	6.7
150.03145	1.8
151.04010	2.3
151.07562	3.3
158.03717	1.2
159.04420	10.2
159.08069	1.0
160.05170	2.4
161.02301	3.2
161.05954	2.5
162.03221	5.5
163.03867	2.3
163.07570	63.8
164.07907	3.4
165.05501	6.6
172.05202	2.3
173.05984	10.9
174.03163	4.6
174.06717	3.9
175.03970	6.9
175.07578	9.8
176.04747	8.3
177.01791	1.1
177.05589	1.6
177.09149	1.7
179.03471	1.6
180.04190	4.1
185.05997	1.5
186.06702	1.7
187.03923	9.1
187.07545	9.2
188.04771	6.1
189.05496	7.3
189.09137	16.8
190.02702	1.8
190.06242	3.2
191.07053	7.2
191.10634	1.4
193.05032	2.1
199.07550	1.4
201.05539	1.9
201.09261	1.5
202.06204	1.6
203.03392	2.1
203.07101	5.7
204.04213	6.1
204.07744	1.7
205.04916	2.1
205.08635	15.9
207.10199	1.6
213.09201	2.4
215.07103	16.9
215.10489	5.2
216.07625	3.5
217.08678	8.5
218.05774	1.4
219.10213	2.3
221.08105	1.4
229.08620	2.0
230.05600	1.1
231.10208	2.9
233.08199	21.0
233.11864	2.6
234.08662	2.2
236.06796	1.7
241.08694	3.0
247.09738	1.1
248.06882	2.5
248.10336	1.3
259.09753	11.9
277.10809	100.0
277.21600	8.4
278.11169	7.9
280.00323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	Apiforol
Peak:m/z	Relative Intensity
51.60438	1.1
53.88209	0.9
56.46837	1.1
59.01250	1.2
65.03829	6.9
71.33096	2.3
91.01768	23.7
93.03325	5.9
103.92504	0.9
107.04888	5.8
109.02841	23.4
119.04918	100.0
120.05249	3.5
121.02843	54.4
122.03154	1.6
123.04418	1.3
133.02829	6.2
135.00777	48.2
136.01099	2.1
151.03918	49.8
152.04291	1.9
153.01840	34.5
154.02208	1.5
179.03452	7.1
201.09212	1.1
229.08511	1.4
255.06604	88.7
256.06927	6.2
273.07526	5.1
273.11722	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	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
64.36606	0.5
65.60081	0.4
70.06783	1.6
70.07150	0.8
85.02839	0.5
92.38040	0.5
105.74229	0.5
110.37987	0.5
111.44338	0.4
119.60636	0.5
130.04182	1.1
134.03609	0.6
135.04416	0.5
143.57803	0.4
146.03647	1.5
151.07581	1.2
158.03651	2.8
159.04410	4.2
159.08099	0.9
161.02390	0.7
172.05225	11.7
173.06006	7.6
174.06595	0.8
177.01825	1.9
178.02501	0.7
187.04091	4.6
187.07574	100.0
188.07872	6.7
197.05972	0.7
201.05505	10.6
202.06282	19.9
203.06761	2.0
203.10622	0.7
204.04172	2.5
213.09068	3.0
215.07115	0.7
216.07817	0.8
231.10220	19.0
231.12512	1.0
232.10472	0.9
237.09294	0.5
264.26505	0.5
275.09366	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	271.0976
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
50.10932	0.4
65.03838	4.2
67.01758	1.3
80.02544	0.9
82.05739	0.4
82.53432	0.4
91.05412	13.1
93.03335	3.4
95.01276	1.3
95.04908	0.7
98.19788	1.4
103.05379	0.5
107.04899	0.8
108.02058	10.9
109.02840	64.1
110.03185	1.7
111.00808	0.6
118.35223	0.4
119.04917	0.7
121.02849	17.4
122.03705	2.2
123.04414	13.3
124.04740	0.5
125.02343	0.6
133.02859	3.5
134.03636	11.8
135.04417	85.2
136.04749	3.6
146.03641	1.0
147.04420	17.2
148.04883	0.7
149.05991	23.7
150.06340	1.3
160.05241	0.7
170.07242	0.6
171.04425	0.7
173.06017	1.0
185.05923	0.6
186.06767	2.6
187.07491	0.8
188.04677	1.2
194.07306	1.0
196.05185	1.2
197.06023	10.7
198.06435	0.9
199.03963	0.9
201.09099	1.0
203.07060	1.0
203.10762	2.3
209.05974	0.6
210.06844	0.5
211.07697	2.2
212.08345	3.0
213.05534	3.0
214.06377	3.1
227.03537	0.8
227.07227	0.6
227.10587	0.5
228.07935	0.8
229.08643	3.5
237.05542	1.0
238.06296	4.8
239.06960	1.6
241.05058	5.3
242.05411	0.7
243.10219	0.7
253.08670	4.7
254.09297	0.7
255.06592	2.2
256.07404	6.1
257.07599	0.8
271.09756	100.0
272.10114	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16802	0.5
65.03835	4.4
67.01769	1.1
70.12541	1.9
80.02551	1.1
91.05405	13.8
92.62981	0.5
93.03330	4.0
95.01266	1.0
96.02034	1.0
107.04949	0.7
108.02057	11.8
108.52832	0.5
109.02837	51.3
110.03147	1.6
111.00761	1.9
119.04903	1.0
121.02849	15.0
122.03619	1.2
123.04402	13.5
125.02344	0.5
133.02870	2.6
134.03644	11.2
135.04414	71.2
136.04752	2.5
146.03613	0.8
147.04420	16.4
148.05130	1.6
149.05977	17.1
150.06364	0.6
159.04520	0.6
170.07233	0.8
171.04456	1.2
172.05219	2.0
173.05905	0.9
183.04337	0.6
185.05858	0.7
186.06763	2.4
187.07523	1.8
188.04738	0.6
196.05183	1.0
197.06087	4.1
199.03925	2.5
203.10600	0.9
210.06828	0.5
211.07539	2.1
212.08344	3.0
213.05504	2.5
214.06308	4.8
227.03415	1.2
227.10638	0.8
229.08665	4.4
237.05418	0.7
238.06252	2.9
239.06932	0.9
240.04254	0.5
241.04997	7.1
242.05179	0.6
253.08708	3.1
255.06677	1.5
256.07391	7.8
257.07648	0.5
271.09744	100.0
272.10068	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.01711	0.3
52.08849	0.3
55.14174	0.3
59.01252	0.4
71.01241	0.3
71.53719	0.3
93.25139	0.3
101.36628	0.3
105.55457	0.3
108.02055	1.3
109.02837	2.5
121.02871	0.4
125.02354	2.2
134.03658	0.3
135.04410	1.3
151.00215	0.5
165.80383	0.3
225.22192	4.0
226.22447	0.4
235.54907	0.3
242.07216	0.3
253.21718	1.3
269.21280	0.6
271.06104	0.7
271.09698	1.8
271.22781	100.0
272.10107	0.3
272.20288	0.6
272.23129	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.16764	0.2
55.01758	0.4
59.01212	0.4
70.39795	0.9
74.63761	0.3
83.04869	0.4
84.02026	0.4
103.88025	0.3
108.02043	0.6
109.02841	0.8
125.02322	1.0
161.96034	0.3
162.25409	0.3
175.34377	0.3
197.19052	1.3
221.19044	0.9
223.20618	4.6
224.20787	0.3
225.22192	66.6
226.20480	0.4
226.22565	5.2
234.34805	0.3
241.05023	0.4
253.21753	2.0
269.21161	0.5
271.22784	100.0
272.23129	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17150	0.3
59.01261	0.5
62.36672	0.4
65.03839	4.5
67.01764	1.5
70.52206	0.4
70.52528	0.8
80.02541	0.6
84.93124	0.3
90.32590	0.3
91.05407	10.1
93.03347	2.9
94.75893	0.3
95.01281	1.1
103.05490	0.5
105.03384	0.5
107.04909	0.8
108.02057	11.9
109.02838	61.8
110.03185	1.7
111.00753	0.6
119.04908	1.2
121.02851	16.7
122.03680	2.5
123.04417	13.4
133.02856	4.0
134.03635	11.6
135.04417	70.9
136.04758	2.4
137.06093	0.6
138.44519	0.3
143.04916	1.5
145.02866	0.4
146.03642	1.4
147.04427	18.3
148.04869	0.7
149.05991	17.9
150.06337	0.7
150.38890	0.4
157.06404	0.5
159.04407	0.4
160.05212	0.7
161.02370	0.5
170.07312	0.4
171.04504	0.6
172.05328	0.5
173.05966	1.4
181.06499	0.5
183.08098	0.4
185.05988	1.7
186.06781	3.1
187.03886	0.4
187.07516	1.4
188.04707	2.2
188.08469	0.5
194.07346	1.2
196.05260	1.6
197.06018	11.2
198.06380	1.0
199.03967	1.2
201.09177	1.1
203.07124	1.0
203.10725	2.7
209.06093	1.3
211.03970	0.8
211.07542	2.0
212.08369	4.1
213.05515	2.7
214.06317	2.8
225.05551	0.7
225.09346	0.4
227.03581	0.7
227.07126	4.4
227.10719	1.5
228.07817	1.0
229.08644	2.9
237.05511	1.0
238.06339	5.1
239.07054	1.3
241.05005	7.2
242.05316	0.7
243.10220	0.9
253.05048	5.6
253.08678	6.0
254.05423	0.8
254.69730	0.4
255.06662	2.0
256.07391	7.4
257.07504	0.4
271.06522	3.3
271.09750	100.0
272.07089	0.7
272.10101	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	271.0977
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
63.72774	0.3
63.76160	0.3
65.03834	5.4
67.01754	1.6
69.42120	2.3
80.02565	0.7
87.83363	0.3
91.05409	11.0
92.05738	0.5
93.03333	3.2
95.01262	1.1
96.02091	0.4
103.05397	0.7
107.04929	1.2
108.02055	13.2
109.02836	69.8
110.03160	2.4
111.00776	0.8
119.04921	0.9
121.02843	18.9
121.06448	0.3
122.03684	1.9
123.04413	15.2
124.04761	0.4
125.02300	0.4
133.02844	3.6
134.03636	12.0
135.04413	75.7
136.04749	2.3
142.99944	0.4
146.03661	1.0
147.04416	18.1
148.01563	0.6
148.04831	0.8
149.05981	20.0
150.06345	0.5
159.04411	0.7
160.05222	0.7
161.05978	0.4
169.06612	0.5
170.07262	0.5
171.04442	0.5
172.05124	0.5
173.05962	1.6
181.06487	0.4
183.08055	0.5
186.06766	3.4
187.07529	0.6
188.04688	1.8
188.08365	0.5
194.07298	1.4
195.08060	0.4
196.05190	1.3
197.04198	0.8
197.06010	11.5
198.06253	0.4
199.03928	1.8
201.09201	1.2
203.07066	1.2
203.10762	3.2
209.06071	0.5
210.06793	0.7
211.07561	2.3
212.08371	4.1
213.01849	0.4
213.05501	3.1
214.06262	4.4
215.06886	0.5
223.03802	0.6
227.03491	1.1
227.10748	1.3
228.07857	0.7
229.08673	3.4
230.09140	0.5
237.05550	1.3
238.06319	5.8
239.07036	2.0
241.05029	7.6
242.05377	0.9
243.10248	0.9
253.08682	6.6
255.06609	2.5
256.07385	7.0
257.07870	0.4
271.09738	100.0
272.10062	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	Pinobanksin
Peak:m/z	Relative Intensity
52.93020	0.7
54.89640	0.7
63.02270	12.4
65.00198	19.3
67.95227	0.7
83.01256	11.1
91.01785	0.8
92.29123	0.7
93.03339	15.2
94.03726	0.8
107.01273	28.4
108.02089	2.1
109.02830	3.7
114.72878	0.8
115.05342	0.8
119.04920	77.4
120.05241	2.4
121.02794	1.3
123.04388	1.4
125.02321	2.9
135.00772	3.9
135.04401	2.5
137.02374	2.9
143.04897	1.0
145.02872	2.5
147.04453	1.2
151.00278	68.5
152.00558	1.3
153.81305	0.7
161.06059	1.8
165.01872	4.4
169.01331	2.5
177.01868	11.4
185.05974	2.2
187.03957	3.0
189.56407	0.8
199.03912	1.3
201.01862	1.3
215.03555	1.0
227.03290	1.0
227.07097	1.8
229.49144	0.8
235.13377	1.2
241.05135	1.5
243.02972	2.0
271.02545	21.3
271.06107	100.0
271.09503	4.7
271.23038	0.8
272.03192	1.7
272.06476	7.2
272.09717	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91663	0.4
65.03832	3.5
67.01761	1.7
71.54073	0.7
76.43358	0.5
78.60621	0.4
79.05380	0.6
80.02553	0.8
91.05411	12.4
93.03337	3.9
95.01265	0.9
96.02085	0.8
103.05370	0.6
107.04919	0.6
108.02056	10.4
109.02838	51.1
110.03181	1.3
111.00768	1.6
111.61312	0.4
119.04916	1.2
121.02847	25.9
122.03671	5.1
123.04409	12.1
128.01054	0.8
133.02872	2.8
134.03638	10.3
135.04416	69.6
136.04732	2.6
139.09662	0.5
145.02863	0.5
146.03648	0.8
147.04427	15.5
148.05093	1.3
149.05983	15.5
149.07202	0.7
150.06296	0.6
159.04158	0.5
161.02345	0.6
169.06483	0.6
170.07262	0.5
171.04314	0.6
172.01498	0.8
172.05200	1.1
173.02130	0.6
173.06033	0.6
177.05370	0.4
185.05991	0.8
186.02995	0.7
186.06847	2.5
187.03700	0.9
187.07544	1.5
194.07440	0.5
196.05237	0.7
197.05980	5.3
198.03047	1.0
198.06441	0.5
199.03911	3.4
201.01778	0.9
202.02139	0.8
203.10735	1.5
210.06723	0.7
211.07579	1.7
212.08357	2.7
213.01897	1.4
213.05516	2.6
214.02335	0.9
214.06306	4.2
215.03128	1.5
225.09248	0.5
226.02565	0.8
227.03180	1.6
227.07211	0.6
227.10732	1.3
229.08681	4.6
230.09091	0.6
237.05537	0.7
238.06375	3.6
241.01294	0.7
241.05003	7.4
242.05379	0.6
243.02568	4.8
244.02722	0.6
253.08693	3.0
255.06627	1.3
256.03531	0.8
256.04538	0.6
256.07401	8.6
257.07605	0.5
259.30249	0.5
271.02225	5.7
271.09750	100.0
272.10077	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	269.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01517	0.4
55.01758	3.7
59.01240	0.7
61.94428	0.3
71.01251	1.8
71.39433	0.4
73.02825	0.6
73.95158	0.2
74.71782	0.2
75.00742	0.9
80.15522	0.3
83.01270	0.3
84.30926	0.3
85.02826	0.8
87.00753	0.2
89.02296	0.4
93.03342	0.8
101.02328	0.9
119.83903	0.3
121.02841	100.0
122.03174	3.5
129.01834	2.9
137.02370	0.9
147.02888	3.4
152.83762	0.2
230.88145	0.3
255.51509	0.2
269.06677	1.8
269.21252	2.9
269.24310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Haginin B
Peak:m/z	Relative Intensity
55.85733	0.5
57.03312	0.6
70.55017	1.7
71.01256	0.7
80.02540	1.6
87.04382	1.0
97.06496	0.6
101.02313	1.0
101.03836	3.3
108.02051	47.1
109.02406	1.0
119.04913	7.9
121.02863	1.0
123.04407	97.6
124.03069	0.5
124.04755	4.3
135.00778	0.8
145.02852	100.0
146.03207	4.0
153.01849	0.7
171.10091	0.9
175.61234	0.5
197.05890	0.8
220.69916	0.5
225.05682	0.8
225.09135	1.1
251.16489	0.7
254.05840	3.1
269.04532	3.1
269.08148	6.3
269.12903	1.3
269.17703	2.3
269.21228	8.4
269.24799	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	269.082
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
55.82298	0.5
59.01241	1.4
63.91668	0.5
71.01270	0.9
71.53479	0.7
73.02800	0.6
73.89803	0.6
80.02535	1.6
85.02823	0.7
99.23623	0.5
101.02351	0.7
101.03865	3.1
108.02058	48.0
109.02357	1.4
113.02393	0.7
121.02812	0.7
123.04414	100.0
124.04734	2.9
145.02861	97.8
146.03214	4.4
165.99055	0.7
225.09117	1.0
225.22253	0.8
254.05469	0.6
269.04504	2.9
269.08289	3.5
269.17923	1.5
269.21240	13.8
269.24814	3.3
270.04776	0.6
270.21735	0.8
272.70612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Saprionide
Peak:m/z	Relative Intensity
59.01249	2.1
66.89593	0.7
70.23522	2.1
71.31345	0.5
87.04389	4.9
101.69639	0.5
119.48865	0.6
127.13461	0.7
149.05971	0.6
157.47034	0.6
165.06961	0.9
166.07700	0.8
167.04953	1.4
169.10136	2.2
179.08592	3.1
180.05821	0.9
181.06551	3.3
181.10138	2.3
182.03709	0.6
182.07294	1.6
183.04474	3.5
184.04852	0.5
191.04912	1.8
195.04453	2.5
195.08075	1.0
196.05244	2.7
197.05893	2.5
197.09648	77.8
198.09961	6.5
205.06509	1.2
206.07278	2.2
207.08087	14.6
207.17494	0.7
208.05267	0.6
208.08774	2.7
208.38594	0.6
209.06003	8.9
210.06792	10.8
211.03929	0.7
211.07191	0.9
212.04361	0.8
213.05576	1.3
223.07605	18.1
224.04713	1.1
224.08363	10.9
225.09155	100.0
226.02661	1.2
226.09512	7.9
238.06386	1.2
241.04871	2.0
242.05743	1.5
251.07071	1.7
254.05667	0.9
269.04489	13.2
269.08145	12.4
269.17596	3.1
269.21182	2.0
269.24893	0.7
270.04843	1.2
270.08380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.7
59.01239	0.4
69.25477	1.0
69.25897	2.1
71.01255	1.5
74.40643	0.3
75.00752	0.7
76.38925	0.3
76.40823	0.3
85.02836	0.5
89.02313	0.8
91.66938	0.3
93.03316	0.5
99.00759	0.5
101.02335	1.3
113.29790	0.3
119.03394	0.4
121.02845	100.0
122.03156	3.4
129.01837	5.5
147.02899	6.5
269.06650	2.8
269.21289	1.2
269.25131	0.4
288.81277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.43071	0.6
57.03328	3.1
59.01252	100.0
60.01585	0.7
69.51599	3.8
71.01254	1.3
71.04909	2.1
78.82613	0.6
83.04920	1.4
87.00770	1.8
101.02336	0.8
129.48073	0.6
161.09671	0.8
161.13303	2.5
162.38094	0.6
163.11182	1.7
165.27776	0.7
168.19009	0.7
187.11272	0.9
207.10289	1.9
223.13348	36.9
224.13759	2.5
235.09787	0.7
252.04257	0.9
258.58798	0.8
267.06595	1.5
267.12418	2.5
267.16110	1.1
273.96912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Genistein
Peak:m/z	Relative Intensity
57.03336	0.3
63.02269	2.8
65.00188	1.5
69.20559	0.7
69.20966	1.6
71.04902	0.5
72.02066	0.3
83.01246	0.4
87.04389	13.9
88.04744	0.2
89.00205	0.3
91.01752	1.2
99.04407	0.6
107.01273	2.2
117.03371	1.0
121.02850	1.0
123.04414	0.6
132.02020	0.7
133.02852	7.6
135.00824	0.4
135.04433	1.6
151.00281	1.0
154.04204	0.3
155.04948	0.8
156.05769	0.2
157.02866	0.9
158.03621	0.3
159.04420	3.1
161.02267	0.3
168.05722	0.3
169.06483	1.1
171.04425	0.7
173.05980	0.4
180.05751	1.9
181.06487	2.2
182.03743	0.4
183.04448	1.9
185.02472	0.2
196.05185	0.6
197.06064	1.2
198.03114	0.3
199.03922	0.8
201.05505	1.4
207.17523	0.9
211.03972	0.4
213.05516	1.0
223.03914	0.4
224.04681	1.9
225.05553	1.5
226.06279	0.3
227.03453	0.5
240.04190	0.5
241.05032	0.6
254.02225	0.6
254.05875	1.2
269.04550	100.0
269.17514	5.5
270.04883	8.0
270.18033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Emodin
Peak:m/z	Relative Intensity
51.38092	0.3
56.66985	0.3
87.00779	0.4
89.03829	0.7
91.01762	6.0
93.03365	0.3
97.06463	0.7
98.20573	0.6
105.03337	0.4
115.01706	0.4
132.02031	1.5
133.02852	72.0
134.03183	2.7
135.00778	9.1
136.01117	0.5
147.04381	0.5
149.05960	0.4
153.01833	6.7
159.04410	0.3
169.06535	0.7
181.06483	0.7
190.02550	0.3
193.04921	0.4
195.04453	0.4
197.06036	0.9
201.03819	0.3
201.05528	1.4
203.06950	0.4
213.05583	0.6
213.09145	0.6
214.02570	0.4
224.04727	1.5
225.05479	4.2
225.09146	0.7
226.02606	0.5
227.03426	2.3
229.27713	0.3
236.23044	0.3
240.04225	0.4
241.05064	1.4
269.04556	100.0
269.21228	1.9
269.24640	0.5
270.04901	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.7
71.54219	0.8
87.00732	0.8
91.01771	6.9
92.02091	0.5
97.06477	1.2
105.03405	0.4
121.02904	0.7
123.04375	0.6
132.02071	1.2
133.02858	75.6
134.03177	3.0
135.00786	10.1
138.01384	0.4
145.02814	0.5
147.04419	1.7
148.05200	0.6
149.05981	1.0
153.01857	6.7
159.04420	1.2
169.06462	0.8
169.19539	0.5
185.06061	1.0
193.05031	0.9
196.05278	0.9
197.06013	2.0
199.07558	0.5
201.05490	1.6
203.07106	1.2
213.05661	0.9
213.09230	1.3
214.09776	0.5
224.04771	1.6
225.05360	3.5
225.09055	1.1
227.03520	2.7
240.04163	0.8
241.05003	2.1
247.05945	0.5
269.04556	100.0
269.21225	3.7
269.24902	0.5
270.04907	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	269.0667
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
56.41739	1.8
59.01249	5.5
71.52760	1.7
78.86269	2.3
87.00746	11.8
121.02834	8.7
122.03625	21.0
124.01558	2.8
131.04901	2.6
136.01544	2.3
136.05208	2.9
137.02354	5.3
137.06000	22.1
147.04492	2.3
148.05191	34.6
149.02333	4.6
151.33144	2.1
154.02649	2.4
156.14584	2.2
164.04666	7.2
165.05492	2.9
179.07068	28.1
192.04208	12.3
207.06555	36.2
209.04509	64.3
210.04919	4.3
225.07533	4.5
269.06659	100.0
269.18134	2.9
269.21194	26.9
269.24698	6.5
270.07095	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.0
59.01253	100.0
59.19421	1.1
60.32787	1.3
66.58320	1.2
70.09959	3.9
70.39828	1.1
71.04906	2.3
84.04314	1.2
86.34556	1.1
87.00735	2.1
131.97545	1.1
139.12120	1.3
150.74115	1.5
161.13332	1.8
163.11185	1.3
223.13347	33.4
223.15378	2.4
224.13727	1.9
225.17487	1.3
235.62221	1.1
239.03470	1.4
261.32703	1.2
267.34164	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	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01773	2.4
58.00466	3.1
59.01252	57.8
60.83566	1.3
62.38912	1.2
66.10423	1.2
71.00270	3.2
71.01257	48.5
72.99191	6.3
73.02826	4.4
75.00747	12.2
78.95788	2.7
81.03349	1.3
83.01244	3.7
85.02834	15.4
87.00756	59.2
89.02322	37.9
89.02744	0.8
95.01286	2.9
97.21777	1.3
99.00758	1.8
101.02325	31.3
103.00262	1.5
105.01807	12.7
106.94879	1.4
113.02333	23.7
119.03400	16.7
129.01828	1.4
131.03479	1.4
143.03452	1.3
160.68108	1.5
161.04446	1.5
165.02522	1.3
176.94298	2.9
206.95427	3.1
225.74788	1.3
237.06155	3.4
247.87518	1.2
252.04257	2.6
267.07211	100.0
268.07578	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	267.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87736	0.3
59.01252	1.8
65.66277	0.3
69.69305	1.5
69.69716	0.6
71.01280	0.3
72.36656	0.3
88.96446	0.3
91.01767	2.1
99.45890	0.3
108.02105	0.4
117.11331	0.3
119.01343	1.1
126.42596	0.3
132.02065	9.1
133.02475	0.6
135.00781	4.8
135.01698	0.3
153.01900	0.8
167.05014	0.7
180.05688	0.6
195.04453	8.2
196.05063	0.9
208.05244	3.5
210.03224	0.4
211.03954	2.0
223.03951	23.1
223.13397	0.6
224.04666	6.6
225.05093	0.4
239.00995	0.5
239.03476	13.9
240.03918	1.2
251.03496	14.0
252.04256	100.0
253.04579	7.4
267.03241	4.2
267.06613	90.3
268.03714	4.0
268.06934	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	267.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01328	0.2
56.32360	0.2
56.52810	0.2
58.88335	0.2
59.01238	0.3
59.27640	0.1
60.21165	0.2
60.53078	0.2
65.02674	0.1
68.35605	0.2
68.88342	0.1
69.40917	1.3
74.30318	0.1
91.01744	1.8
98.20583	0.3
104.02574	0.2
108.02055	0.4
122.91360	0.1
131.98384	0.2
132.02065	11.1
133.02425	0.3
135.00772	4.0
135.01733	0.3
153.01831	1.1
167.04955	0.5
180.05756	0.9
195.04434	8.5
196.05034	1.0
208.05241	4.9
209.05611	0.3
220.22435	0.2
223.03954	23.4
224.04692	7.3
225.05054	0.4
239.03447	0.3
251.00740	0.3
251.03473	15.7
252.04250	99.0
253.04599	6.4
267.06610	100.0
268.06958	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.54525	0.3
59.01248	2.6
62.44228	0.4
70.44583	0.9
71.01245	1.2
73.01720	0.3
73.81493	0.3
83.04907	0.5
85.02823	0.6
113.77298	0.3
125.11322	0.4
125.56638	0.4
127.10255	0.4
132.24054	0.3
154.70720	0.4
161.70673	0.4
219.17520	0.4
219.21172	1.0
239.68256	0.4
261.18558	0.6
263.20148	100.0
264.20483	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	265.1446
Annotation	Alliacolide
Peak:m/z	Relative Intensity
57.03322	14.5
59.01256	5.2
63.53676	0.6
63.59820	0.7
67.01762	0.7
69.03349	1.0
69.27413	0.7
71.01254	2.5
71.54296	0.7
71.54683	0.8
73.02844	0.7
81.03339	1.6
82.74027	0.6
83.04873	0.9
85.02836	1.1
86.88669	0.7
93.03358	1.9
95.04904	56.7
96.05268	1.6
97.02849	0.8
97.06486	6.7
99.04415	1.0
101.02324	1.7
109.06461	9.5
121.02837	1.1
123.08060	2.9
125.09615	19.8
134.04622	1.3
135.04385	1.5
135.08040	1.3
147.04434	0.8
149.02394	1.2
149.05933	0.9
149.09624	1.1
160.01572	1.9
163.03960	1.3
163.11220	7.4
164.11725	0.9
175.03932	1.6
177.01959	0.8
178.06213	1.1
179.14333	9.5
183.10081	0.9
185.11746	4.4
191.92061	0.7
203.14380	1.3
206.05765	1.9
207.10182	8.4
221.08163	1.5
221.15424	1.6
223.13351	100.0
224.13663	7.2
247.13390	5.2
265.06967	1.5
265.14435	41.9
266.14749	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	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01242	1.7
60.22774	0.5
73.17668	0.5
79.95608	0.8
96.95889	29.0
98.20598	1.2
101.02345	0.5
117.79887	0.6
119.31717	0.5
135.04387	0.9
140.35103	0.5
265.14810	22.8
265.21713	100.0
266.15063	2.2
266.22061	8.5
273.01682	0.6
283.95944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01239	1.5
66.42937	0.4
70.08921	1.3
71.01253	1.7
73.02809	0.5
85.02816	0.6
89.02323	0.6
91.05412	1.1
101.02316	1.0
101.03835	1.7
103.05403	0.6
105.03326	0.4
111.69884	0.4
113.02347	0.7
118.61661	0.3
119.04063	0.6
119.04916	11.9
120.05312	0.5
120.78722	0.4
129.03357	12.5
130.04176	2.9
130.88036	0.4
136.04640	0.4
145.02853	1.2
146.03639	4.4
147.04419	100.0
148.04756	5.9
149.05989	1.2
151.03845	0.4
191.03423	11.5
192.03841	0.4
267.04984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0663
Annotation	Formononetin
Peak:m/z	Relative Intensity
54.40121	0.5
60.34771	0.5
62.86267	0.5
82.96133	0.5
91.01791	1.1
108.02074	0.8
132.02058	5.1
135.00816	2.2
150.25845	0.5
195.04428	5.1
196.05209	1.0
208.05261	2.6
223.03958	15.1
224.04669	5.4
251.03456	8.3
252.04259	100.0
253.04567	8.4
267.06613	81.8
268.06903	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.4
70.83350	0.7
71.01261	1.2
73.68235	0.3
85.02811	0.5
89.02371	0.4
91.01743	1.3
101.02322	0.9
108.02041	0.6
113.02384	0.4
122.27733	0.3
130.57164	0.2
132.02069	9.2
133.02371	0.5
135.00771	3.4
153.01813	1.1
161.04459	0.7
165.07272	0.3
167.04898	0.5
195.04456	6.9
196.05045	0.6
208.05229	3.8
223.03957	22.2
224.04669	7.3
225.05003	0.5
251.03481	12.9
252.04251	100.0
253.04599	8.5
267.06613	91.3
268.06946	8.3
286.51572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.01763	1.3
57.03315	3.2
59.01246	4.7
69.03352	1.3
70.74683	0.9
71.01244	6.1
71.04868	1.1
71.54484	1.6
74.71447	1.0
78.97951	1.0
79.05413	1.0
81.03333	1.8
83.04891	4.1
85.02834	2.0
93.06962	1.9
95.04897	2.7
97.02843	11.5
97.06470	2.1
99.04360	1.0
105.06979	2.8
107.04933	3.2
108.05720	7.8
109.02855	7.4
109.06493	5.0
109.67401	1.0
111.04406	15.2
111.08042	1.9
113.05972	10.6
119.08572	6.1
121.06460	5.2
122.03651	15.2
123.04441	1.5
123.08066	7.4
124.05167	2.1
125.05971	18.4
135.04367	1.3
135.08057	3.4
136.05203	19.2
137.05986	8.5
137.09645	1.7
138.06773	19.2
139.07552	40.0
140.07867	1.6
145.06516	1.6
147.08102	1.5
148.01515	1.0
148.05206	10.2
149.06044	5.4
151.03954	2.2
151.07556	76.6
152.04701	8.7
152.08347	46.4
153.09120	12.4
159.11731	4.9
161.06033	1.3
161.09622	9.3
163.03903	3.0
163.07561	12.8
164.08282	1.2
165.05521	1.0
166.06326	1.2
167.07080	4.4
170.05707	2.4
171.07993	1.9
175.07597	1.4
175.11075	1.1
177.12740	1.1
185.09628	2.3
186.10417	3.4
188.08327	2.8
189.05516	25.4
189.09132	9.2
189.12787	1.2
190.05832	2.3
201.12796	37.0
202.13249	1.5
203.03397	2.1
203.06992	3.0
203.10735	26.5
204.11497	69.7
205.11925	3.7
219.10262	3.2
219.13858	100.0
220.14156	6.6
248.10397	1.3
263.09259	10.5
263.12851	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	262.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16200	4.6
57.03316	7.4
59.01250	9.7
65.21719	4.7
70.02847	18.3
71.01257	16.7
71.52574	4.1
71.52973	4.7
72.99183	8.4
82.03696	4.2
85.02831	72.7
87.00749	14.2
87.04368	8.3
96.00784	8.2
96.04420	100.0
97.02835	10.3
98.02351	11.4
99.00768	6.8
100.76221	4.5
101.02312	7.3
111.00808	4.5
113.02326	7.8
115.03932	5.7
117.04246	4.2
128.03413	9.8
129.01839	20.0
140.03407	8.8
142.01370	74.1
158.04495	19.8
172.02359	11.2
262.05701	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	262.072
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
50.77276	0.6
59.01257	3.1
61.78564	0.5
69.32941	5.1
71.01246	2.2
75.00743	1.3
85.02831	1.6
85.67695	0.5
87.00750	3.8
95.14352	0.6
97.06445	0.9
98.20593	1.2
113.02267	0.6
115.00285	0.6
116.04938	5.4
117.03317	0.9
119.04922	0.7
128.04959	3.1
130.06520	11.9
132.04457	0.6
137.02174	0.8
144.04440	1.4
145.02852	0.9
146.03232	1.3
146.06007	0.6
147.04395	1.6
148.05145	0.8
149.05978	1.7
154.06470	0.9
155.07297	1.0
156.08104	36.8
157.05232	4.2
157.08450	2.8
158.06009	5.7
159.04359	0.7
160.04785	0.7
161.02531	0.5
172.03912	1.5
172.07600	47.1
173.05911	0.7
173.07919	2.5
174.02971	0.7
174.05479	3.6
187.07600	2.8
189.00169	0.9
189.05351	0.9
193.04982	0.7
200.07101	32.1
201.07437	1.7
201.09117	1.0
202.05035	69.0
203.05316	3.9
204.07793	0.6
215.06998	1.3
216.06653	1.4
217.08720	1.1
218.08165	7.2
218.12558	1.5
226.05037	0.6
244.06210	4.0
244.10628	1.2
257.08157	1.4
262.07208	100.0
262.11670	5.1
263.07465	7.5
281.27634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68702	1.3
59.01254	100.0
60.01590	1.2
63.13939	1.2
70.40997	5.1
71.01257	3.3
79.97279	1.3
103.58476	1.2
111.60641	1.5
168.29166	1.4
205.01355	2.0
220.23135	1.4
233.00883	2.3
263.12936	1.4
263.16428	1.8
274.72870	1.3
280.13419	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	261.1134
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
50.34694	0.8
57.03331	0.9
59.01237	1.1
60.14972	0.7
63.17661	0.9
69.03320	3.5
69.88850	3.4
71.41219	0.8
74.86705	0.7
85.02829	1.3
93.03347	1.0
97.05058	0.9
97.06443	4.9
98.19902	1.1
99.00716	0.9
121.02855	2.5
122.03587	1.3
123.04415	2.9
146.03638	9.9
147.04388	3.7
147.08041	1.6
149.02379	2.0
149.05978	2.1
154.32982	1.0
159.04424	9.6
160.05070	1.6
161.05946	7.8
162.03201	0.9
163.03897	5.0
163.07584	2.1
164.04713	8.5
171.04465	1.1
173.02338	2.4
173.06059	1.8
174.03236	5.6
174.06798	10.5
175.03941	3.2
175.07533	9.5
185.06041	1.5
186.06755	4.2
187.03987	1.3
187.07564	2.3
188.04713	52.4
189.05489	32.6
189.09094	1.4
190.06104	2.8
199.07460	1.8
200.04655	1.0
200.08293	1.0
201.05490	1.6
203.07080	11.4
204.07864	17.6
205.08392	2.1
213.05511	1.4
214.06302	12.8
215.06758	1.5
215.10692	1.6
216.07800	1.1
217.08652	100.0
218.05762	1.6
218.09006	7.5
219.10265	1.4
225.09056	2.6
231.03023	1.9
232.07352	7.9
241.70184	0.8
243.10254	19.5
244.10605	1.7
261.11288	48.8
261.22244	1.5
262.11649	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66087	1.1
57.03318	1.7
59.01252	10.1
69.03324	4.7
69.24019	8.2
69.24420	2.4
85.02834	3.9
93.03340	2.9
97.06468	7.6
108.84966	1.0
109.02837	3.5
111.04342	1.1
113.02332	2.7
117.03376	7.2
118.96042	1.0
121.02853	7.2
122.03626	4.3
123.04437	5.1
135.04405	4.5
137.02371	1.2
145.02855	20.0
145.06493	1.1
146.03648	12.8
147.04431	9.0
148.05219	3.1
149.02345	6.2
149.05989	1.9
149.09579	1.9
150.03180	1.8
158.03589	1.5
159.04407	10.2
160.05190	1.8
161.02313	7.0
161.05991	7.7
162.03116	8.7
162.06746	1.8
163.03929	12.9
163.07542	2.9
164.04698	18.1
165.09116	1.3
171.04460	1.3
172.05180	2.9
173.02364	1.4
173.05966	4.3
173.09662	1.6
174.03137	5.1
174.06767	10.0
175.03963	6.7
175.07564	11.7
176.08067	1.5
185.06015	3.8
186.06741	4.0
187.03874	2.3
187.07498	1.7
187.11235	1.4
188.04716	44.0
189.05492	31.7
189.09172	2.5
190.06053	3.7
191.03458	1.1
191.10774	5.6
192.04221	2.3
199.07634	2.9
200.08347	2.5
201.05359	2.1
201.09132	11.4
203.03430	1.0
203.07079	14.8
204.04294	1.6
204.07861	21.5
213.05569	1.4
214.06300	13.8
215.06998	2.1
215.10664	6.3
217.08659	84.7
217.12247	5.9
218.05788	2.0
218.09227	10.0
219.10280	7.0
225.09230	2.5
227.06897	1.6
228.07663	1.2
232.07365	7.2
233.11807	4.2
240.40239	1.1
243.10220	26.0
244.10466	1.9
261.11310	100.0
262.11627	8.8
267.85449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
50.19149	0.4
57.03318	1.1
59.01270	0.7
65.45444	0.5
69.03323	2.9
70.02869	0.5
77.14974	0.4
85.02822	1.3
93.03330	0.7
97.06464	5.5
97.07037	0.6
97.77345	0.4
109.02872	1.1
116.03420	0.5
121.02842	1.9
122.03629	1.3
123.04442	3.3
134.03674	0.7
135.04419	1.6
145.02838	0.8
146.03650	7.0
147.04420	3.2
149.02347	2.0
149.05974	1.6
159.04440	10.7
160.05095	1.5
161.02356	0.5
161.05994	7.3
162.03145	1.3
162.06734	0.5
163.03938	5.0
163.07576	3.4
164.04724	9.8
165.09085	0.7
171.04424	0.8
172.05257	1.2
173.02397	1.6
173.06020	2.4
174.03159	6.1
174.06786	9.9
175.03969	2.7
175.07579	10.5
176.07864	0.7
185.06001	1.1
186.06818	3.1
187.03880	0.9
187.07552	2.2
188.04724	50.4
189.05495	28.7
189.09106	0.7
190.06104	2.3
191.07033	0.7
191.10648	0.6
199.07533	2.3
200.08195	1.1
201.05499	1.2
201.09181	1.1
202.06412	0.6
203.07092	12.8
204.07864	19.8
205.08543	2.3
213.05539	1.7
214.06320	16.7
215.06723	1.1
215.10687	2.4
216.07869	1.4
217.08661	100.0
218.02792	0.4
218.05801	0.9
218.09001	8.0
219.10254	4.1
225.09200	2.3
228.07765	0.7
232.07388	7.4
233.11684	1.1
243.10249	21.6
244.10661	1.5
261.11316	55.5
261.22076	0.7
262.11737	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01254	7.5
59.08847	0.7
69.03324	5.1
69.70217	1.8
69.70632	3.6
74.02316	1.3
79.58429	0.7
85.02836	3.7
90.94623	0.7
93.03345	2.1
97.06471	10.8
98.19836	1.0
99.03442	0.7
109.02828	2.9
113.02323	1.3
114.59175	0.8
117.03367	5.7
121.02864	4.6
122.03620	3.1
123.04399	4.4
125.09632	0.7
130.04091	1.2
133.02921	1.4
133.06447	0.7
135.04399	3.1
145.02852	16.6
146.03636	8.7
147.04420	7.4
148.05164	1.0
149.02336	3.5
149.05882	1.8
150.03166	1.6
151.31078	0.9
152.01045	0.9
159.04439	9.0
160.05139	1.5
161.02399	4.4
161.05978	8.7
161.09622	0.8
162.03136	7.3
162.06819	1.2
163.03903	10.4
163.07518	3.2
163.11172	0.7
164.04704	18.2
171.04391	0.9
172.05154	2.5
173.02299	2.0
173.05952	1.9
174.03159	5.5
174.06799	8.2
175.03908	4.8
175.07555	11.9
176.04663	1.7
183.07603	0.9
185.05899	1.3
186.06769	5.1
187.03969	1.7
187.07529	2.7
188.04712	42.3
189.05498	27.9
189.09146	2.3
190.06097	3.2
191.07079	1.2
191.10704	5.1
192.04190	2.3
199.07564	3.1
200.04742	0.9
200.08290	1.1
201.05508	0.8
201.09138	9.7
203.07066	14.9
204.04305	2.1
204.07841	22.3
205.08504	2.7
213.05511	2.2
214.06284	18.0
215.06824	2.4
215.10695	3.5
216.07849	1.8
217.08647	94.4
217.12204	6.2
218.05888	0.9
218.09128	11.6
219.10196	7.0
225.09198	2.8
228.07887	1.2
229.08546	1.0
232.07381	8.4
233.11798	2.1
243.10239	28.7
244.10658	2.2
261.11298	100.0
262.11652	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05032	0.4
65.00191	0.4
65.03831	10.7
67.01752	1.3
71.03379	0.7
71.08575	0.4
74.90557	0.3
81.72303	0.4
89.03849	1.0
91.01768	6.5
91.31810	0.4
95.04925	0.7
107.04908	5.6
109.02839	82.8
110.03167	2.1
112.22607	0.3
123.04430	3.0
133.02859	19.1
134.03209	1.2
135.00778	9.3
136.01178	0.7
151.03925	100.0
152.04274	4.6
153.01851	3.6
173.06070	0.4
198.92767	0.3
199.03970	0.7
200.04823	0.7
213.09135	0.6
217.80040	0.3
228.04237	0.9
228.07776	0.4
239.07101	0.7
257.08182	26.9
258.08533	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	257.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17025	0.3
56.24542	0.3
58.12949	0.4
62.53091	0.4
65.03836	8.8
67.01756	2.9
70.65168	0.4
70.65518	1.2
73.02794	0.5
83.04938	0.4
91.01796	0.4
93.03350	0.9
95.01225	0.5
95.75555	0.4
97.02854	0.3
101.03851	0.5
107.01302	2.2
108.02075	3.3
109.02838	100.0
110.03164	3.4
117.03356	0.4
119.04930	4.1
121.02863	1.1
122.03640	0.8
123.00778	0.6
125.09628	1.9
135.00722	0.5
136.01569	4.9
137.02380	3.9
138.12894	0.4
147.04430	17.6
148.01561	9.7
148.04762	0.7
149.01860	0.5
151.03874	0.8
153.01790	0.5
155.02150	0.4
161.13036	0.4
165.01898	2.0
166.02571	0.6
167.08566	0.6
171.08087	0.4
195.08060	1.4
199.03880	0.4
207.10164	0.5
211.07433	1.1
213.09151	0.9
215.07114	0.5
221.06137	0.5
225.11243	1.2
239.07135	3.5
240.07216	0.5
256.23639	1.7
257.08185	54.1
257.23932	1.3
258.08514	5.1
258.20819	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98249	0.5
65.01372	0.5
67.59205	0.5
69.20152	3.6
69.20577	2.3
75.67133	0.6
93.03342	0.6
95.01260	0.8
108.02050	2.2
111.00788	1.5
112.21258	0.5
119.04926	1.7
123.00793	1.4
125.59992	0.6
136.01532	1.9
139.00275	1.8
145.02855	0.9
146.03535	0.5
147.00797	1.7
147.04440	3.3
148.01567	100.0
149.01906	4.3
152.01036	0.6
153.99240	0.5
161.02356	0.9
162.03134	1.9
163.00343	2.9
163.03932	1.3
164.01067	67.6
165.01372	3.4
174.03142	1.2
175.03894	1.5
176.01073	27.7
177.01486	1.8
190.02646	2.8
191.03433	1.1
192.00569	5.1
204.00542	1.2
205.01347	1.2
219.02937	3.2
251.05586	44.5
251.12798	1.3
252.05814	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.50323	1.9
59.01252	100.0
61.13538	2.1
69.43459	10.0
69.43862	4.9
69.79462	2.2
71.01253	5.2
73.02824	3.3
76.30383	1.8
83.01248	2.2
84.15562	2.4
87.00752	2.5
89.02303	4.5
96.03762	1.8
101.02319	9.4
113.02335	3.2
119.03444	2.7
147.04442	2.6
160.27499	1.8
161.04475	11.0
193.07080	26.9
253.09309	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	255.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.2
59.01242	4.4
65.29321	1.2
70.81618	2.7
71.01278	1.2
85.02819	2.1
87.00755	26.7
93.03356	1.4
95.04940	1.4
108.02054	4.7
111.00758	7.0
115.00258	1.4
121.02869	1.7
122.03630	2.7
123.04411	96.1
124.04705	2.9
131.04909	2.6
133.02786	1.3
134.03648	1.3
147.04433	2.8
148.05212	1.5
149.05994	28.1
150.03114	3.9
150.06245	1.4
151.03864	2.9
160.53416	1.3
165.05476	21.9
175.03920	3.4
189.01874	1.3
189.84842	1.2
193.05000	15.7
194.05475	1.4
195.02931	23.7
219.02986	4.5
237.02051	1.0
237.04024	6.9
255.05078	64.6
255.23282	100.0
256.05511	3.8
256.23642	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	255.0662
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
65.03820	0.7
65.07842	0.5
70.18236	1.0
70.18618	1.5
80.02547	0.8
91.01774	16.0
101.96143	0.5
103.06842	0.4
108.02064	7.0
109.02149	0.7
109.02845	9.5
119.04899	1.2
121.02858	3.4
121.48267	0.5
123.04404	0.9
133.02863	1.6
135.00786	9.3
137.02357	1.1
141.06967	0.6
149.02353	2.6
153.01807	2.8
157.06400	0.9
165.07040	1.9
165.24800	0.6
167.08548	2.8
169.06480	1.0
175.39166	0.5
180.05746	2.4
181.06512	2.4
183.08046	0.6
193.06499	2.9
195.04375	0.7
197.06030	1.8
199.07556	3.1
208.05243	19.9
209.06018	27.0
210.06375	2.0
211.07555	1.1
224.04726	2.0
227.07101	2.2
228.07381	0.5
237.05551	31.6
238.05894	3.5
255.06619	100.0
255.23262	5.7
256.06979	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	249.1858
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
55.78014	0.6
59.01249	2.9
66.31615	0.6
70.55946	0.5
71.01247	1.4
73.16854	0.6
121.02831	0.6
177.01906	1.1
205.08731	0.7
205.16063	0.7
231.17693	0.8
247.17065	1.0
249.00323	1.0
249.04002	1.0
249.18579	100.0
250.14502	15.0
250.18877	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37305	0.5
59.01237	2.0
59.07574	0.5
65.02363	0.6
69.72237	2.5
70.02852	0.7
71.01252	9.7
79.83469	0.6
84.85190	0.5
88.03915	100.0
89.04250	1.1
91.05415	1.8
96.44246	0.6
98.83937	0.6
114.01858	6.0
114.72356	0.6
115.00262	16.2
116.00571	0.7
117.03271	0.7
117.38521	0.7
132.02924	99.3
133.03256	2.4
134.06068	1.0
135.04405	4.6
147.04597	0.6
148.05188	3.2
177.48378	0.6
206.08234	2.3
207.06566	2.2
250.07181	14.1
250.14484	7.0
251.07431	1.1
251.14804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99029	0.4
59.01246	1.0
69.77786	2.6
70.02821	0.6
71.01251	9.5
88.03913	96.8
88.30483	0.4
89.04250	1.5
91.05412	1.4
92.64674	0.5
98.19919	0.8
113.02229	0.6
114.01865	5.6
115.00252	15.8
117.03303	0.8
127.04234	0.5
132.02921	100.0
133.03271	2.2
134.06026	1.3
135.04408	3.7
148.05194	5.9
206.08179	1.5
207.06598	3.5
232.06097	0.6
240.34003	0.6
250.07178	15.3
250.14433	5.1
251.07593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01250	0.5
67.01746	0.5
71.04874	0.6
71.54462	0.5
81.65386	0.4
89.03843	3.8
89.04362	0.5
93.03292	0.6
96.20400	0.5
97.02831	1.1
97.06477	2.6
99.00764	3.2
101.03870	0.9
109.02819	0.8
110.02319	0.8
111.00767	0.5
117.03349	37.0
118.03675	1.9
125.09641	1.0
130.04146	1.5
131.04930	3.2
141.45839	0.4
142.02626	0.4
143.04877	0.6
145.02853	100.0
146.03485	8.3
147.04343	0.6
153.12816	0.4
156.05684	2.0
157.06430	0.5
159.04407	0.9
160.05141	0.5
163.11217	1.3
171.04408	0.8
171.08025	1.0
172.05222	1.5
173.05954	0.6
174.03139	0.7
181.12270	4.6
185.06010	3.6
186.06740	1.3
187.04007	1.1
187.07599	0.8
188.04744	1.0
196.05307	0.5
199.03952	0.9
199.07613	1.4
199.13322	3.6
200.04791	1.5
200.08328	1.2
201.05620	0.5
201.09096	0.9
202.06351	0.5
207.10182	7.6
208.10530	0.6
213.05554	1.6
213.09048	0.5
214.06339	4.2
215.10745	6.4
216.11090	0.7
225.09200	1.5
225.11253	14.9
226.11615	1.4
227.07108	0.8
228.07483	0.4
243.03070	0.7
243.06532	1.3
243.10196	16.7
243.12389	14.7
244.10619	1.7
244.12677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
52.55870	1.7
55.81507	1.6
58.02851	24.8
59.01242	4.9
70.02857	18.8
72.00780	5.6
72.04410	4.9
74.02346	100.0
95.55128	1.7
98.02353	24.0
98.20573	4.2
111.55694	1.7
116.03437	36.9
116.04947	37.1
117.05258	3.0
118.10387	1.8
130.06517	5.9
135.70493	1.7
142.06520	6.9
146.03630	3.0
147.04401	2.3
159.04480	8.8
159.09215	8.9
160.04955	1.9
161.05963	2.0
172.05183	7.2
173.05949	11.3
185.06052	2.2
186.06868	2.3
187.03908	3.1
187.07545	8.2
188.08163	2.7
189.05458	3.2
189.09094	5.4
197.05939	2.3
201.05516	7.2
201.08925	20.7
203.08209	95.4
204.08415	4.3
215.07053	4.6
216.07849	8.0
217.01274	2.1
217.12296	7.5
227.06993	2.2
227.10669	4.8
229.68707	3.3
245.09224	70.5
245.11818	41.6
246.09563	5.8
246.11993	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71402	0.5
57.03302	1.0
59.01252	1.1
69.03330	0.6
69.52377	4.2
71.01276	0.6
74.02349	2.0
75.40366	0.5
81.03315	1.1
83.04903	3.1
84.02060	1.0
84.28611	0.5
85.02837	0.8
90.77041	0.7
96.65090	0.5
97.06441	0.7
98.91100	0.6
109.02831	2.1
116.03415	0.8
122.03667	0.6
123.04388	1.1
125.09589	1.4
127.11191	1.9
131.76271	0.7
132.46114	0.6
133.02850	0.8
135.04457	1.5
139.11229	0.6
143.04961	0.8
146.03648	8.2
147.04369	2.2
147.85989	0.7
148.05191	1.5
150.03044	1.0
155.10770	0.6
159.04424	9.2
160.05046	1.8
161.02350	1.3
161.05984	8.1
162.03160	1.4
162.06145	0.8
163.07516	0.9
163.11150	1.1
165.09114	0.6
165.12814	1.0
171.04445	0.7
172.05196	9.6
173.05983	8.0
174.03151	2.7
174.06680	1.6
175.03926	2.5
175.07610	3.3
176.04683	2.6
176.08325	2.3
183.04428	1.3
184.05139	0.9
185.05986	1.6
186.06772	3.5
187.03928	14.7
187.07558	7.4
187.11174	1.0
188.04712	28.2
188.08282	3.2
189.05443	6.9
189.09169	3.6
191.45804	0.6
197.05998	3.8
198.06653	2.7
199.07619	1.0
199.09576	0.9
199.11237	1.3
200.04774	1.3
200.08430	0.9
201.05524	11.4
201.09148	19.5
201.11250	29.8
202.06201	3.2
202.09544	2.7
202.11597	2.1
203.06801	1.2
203.08411	0.7
204.07866	11.1
209.11766	32.0
210.12141	3.2
211.07625	1.5
212.08255	1.3
215.03496	0.7
215.07092	4.1
215.10634	1.3
216.04300	1.0
216.07881	12.7
217.08298	1.6
217.12274	5.3
218.05853	0.6
227.10713	15.5
227.12848	3.5
228.11011	1.4
229.08707	0.8
230.09386	1.7
243.10199	10.1
244.10909	4.6
245.08194	11.7
245.11795	100.0
246.05190	0.7
246.08437	0.8
246.12112	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	249.1495
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03317	2.1
59.01252	10.8
59.16739	1.6
69.03331	39.4
71.01269	1.6
83.04877	3.0
93.03339	1.6
95.04906	4.1
97.06480	1.8
98.19775	3.9
104.24316	1.5
109.06476	1.9
111.08084	2.2
112.78202	1.7
124.81138	1.7
124.82048	1.7
134.07265	2.8
149.13235	4.0
160.05463	1.9
167.10754	3.9
177.01877	1.9
187.14856	4.3
193.12276	10.1
203.14301	2.6
205.12311	12.4
205.15883	12.8
221.15392	16.7
231.13853	38.5
232.14281	2.9
249.00371	1.8
249.07715	3.1
249.14941	100.0
250.14848	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	247.1702
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
54.07602	0.1
59.01233	0.2
62.68330	0.1
71.01244	0.5
103.03919	0.3
108.40544	0.1
118.48543	0.1
175.07555	0.2
177.01862	0.5
179.07080	0.1
184.00125	0.2
193.32816	0.2
205.01363	0.3
205.15919	0.4
220.17029	0.5
231.13850	0.5
233.00780	0.2
247.17014	100.0
248.17348	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03328	0.6
59.01259	0.6
69.23552	0.8
69.23956	3.7
71.01259	0.7
71.04881	1.7
74.04265	0.4
83.04893	0.9
89.03854	3.5
93.03334	0.5
97.02829	2.7
97.06485	2.4
99.00759	12.8
109.02802	0.5
109.06480	0.6
110.02350	0.6
110.03624	1.3
117.03350	34.8
118.03699	1.4
121.06494	0.4
121.93359	0.5
123.04449	0.5
123.08082	0.7
125.09624	3.8
127.11182	0.8
130.04135	1.2
131.04932	3.2
136.05202	0.8
142.02586	1.2
143.04942	0.7
145.02858	100.0
146.03651	9.3
153.12688	0.8
155.14314	1.2
156.05695	1.2
158.03529	0.5
160.05139	1.2
163.11201	4.8
164.11516	0.5
171.04379	0.9
171.08141	0.6
172.05167	2.6
173.05800	0.7
174.03082	1.1
181.12259	13.9
182.12584	1.1
185.05949	2.7
186.03214	0.5
186.06720	1.1
187.07588	0.8
187.11156	1.1
188.04712	0.6
197.11723	0.5
199.04060	0.6
199.07643	1.1
199.13339	12.2
200.04669	3.3
200.13763	0.8
201.05435	0.8
202.06175	0.5
207.10208	25.0
208.10564	2.0
213.05595	1.1
214.06285	2.8
215.06776	0.6
215.10698	7.0
216.11018	0.7
225.11273	50.6
226.11603	3.3
241.08713	0.7
243.10188	17.6
243.12378	44.3
244.10547	2.0
244.12737	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	243.1025
Annotation	Emmotin C
Peak:m/z	Relative Intensity
59.01271	0.6
69.03332	1.2
69.17155	1.9
69.17577	0.8
78.52937	0.2
83.04934	0.3
89.03854	0.5
93.03400	0.9
95.04942	0.2
97.06522	0.7
97.19553	0.2
109.02840	2.4
109.06503	0.3
110.02402	0.8
117.03345	4.3
121.06522	0.6
131.04956	0.5
135.04480	0.6
136.54317	0.2
141.68661	0.2
143.04956	0.9
144.05756	0.4
145.02856	12.0
146.03671	3.7
147.04404	0.7
148.05159	0.3
153.90404	0.2
156.05745	0.6
157.06499	0.9
157.95644	0.2
158.03645	0.7
158.07359	0.4
159.04422	2.9
159.08127	0.5
160.05191	1.4
161.05988	2.0
167.04901	0.4
168.05760	0.5
169.06432	0.5
169.10167	0.6
170.07368	0.4
171.04379	1.9
171.08133	1.5
171.10222	0.4
172.05208	6.1
173.02434	0.4
173.05992	3.6
173.09712	0.4
174.03178	1.8
174.06746	0.9
175.03925	1.1
175.07593	1.1
181.06494	0.7
181.12323	0.5
182.07280	0.4
183.04446	0.4
184.05229	1.3
185.06006	16.4
186.03209	0.3
186.06776	10.6
187.03961	1.7
187.07555	10.1
187.11172	0.7
188.04703	1.5
188.08081	1.1
189.05499	3.8
189.09148	0.8
190.05974	0.4
195.04448	1.1
196.05229	9.0
197.05984	2.7
197.09711	2.2
198.03105	0.7
198.06825	0.4
198.09943	0.3
199.03926	5.6
199.07584	17.1
199.11282	1.1
200.04704	4.7
200.08340	9.4
201.05492	4.2
201.09132	3.9
202.06227	0.8
203.07100	0.6
204.04219	0.7
204.07852	6.2
205.08199	0.5
206.05722	0.3
207.08180	0.3
207.10199	0.6
209.06036	3.9
210.06767	2.8
211.07425	0.8
212.04730	1.0
213.03349	0.3
213.03952	0.2
213.05515	13.9
213.08871	2.2
214.06296	36.8
214.09888	3.4
215.03609	0.5
215.06792	4.0
215.10721	12.5
215.12579	0.5
216.10997	0.9
217.08626	0.6
218.05801	0.4
223.07599	6.1
224.08292	2.4
225.09178	14.0
225.11247	1.4
226.09631	2.2
227.07137	3.0
228.07854	5.7
229.08626	1.5
232.03734	0.6
232.07317	0.6
241.08704	4.0
242.09431	1.6
242.67023	0.3
243.10231	100.0
244.03847	0.3
244.07767	0.4
244.10603	12.0
246.05414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1024
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
62.11708	0.5
63.55350	0.6
69.03325	2.2
69.27552	4.5
71.55600	0.6
72.99171	0.6
73.45585	0.6
81.70056	0.7
86.80602	0.6
93.03326	1.6
109.02828	3.4
117.03348	1.2
121.02847	0.7
123.44389	0.6
141.47432	0.6
143.04935	1.0
145.02873	3.8
146.03603	2.0
147.04419	0.6
148.01640	0.6
149.05820	0.6
152.83095	0.6
156.05772	1.7
157.06398	1.3
159.04446	3.0
159.07957	0.9
160.05177	0.7
169.06488	1.1
169.10112	0.7
171.04424	2.7
171.08032	4.1
172.05235	9.7
173.05978	2.9
173.09644	1.8
174.06773	1.3
184.05223	1.0
185.06009	17.1
186.06778	14.0
187.03867	1.2
187.07590	16.2
187.11197	1.6
188.07980	1.4
189.05521	1.1
196.05235	9.1
197.05992	9.4
197.09648	1.3
198.06772	0.8
199.04001	5.5
199.07579	16.5
199.11261	0.9
200.04626	2.1
200.08368	12.6
201.09100	8.2
202.06212	1.4
204.07834	1.5
207.08018	0.7
209.06020	4.1
210.06841	3.0
211.07518	1.5
212.04610	0.8
213.05521	12.8
213.09140	2.1
214.06310	38.0
214.09810	2.1
215.06972	6.6
215.10704	13.1
216.11320	1.0
218.05777	0.9
223.07561	6.6
224.08360	4.0
225.09177	17.5
225.11243	0.9
226.09821	5.3
227.07161	1.4
227.10809	0.9
228.07866	8.4
229.08592	4.5
232.07448	0.9
241.08514	1.0
242.09341	0.7
243.10237	100.0
244.08075	1.0
244.10664	12.3
246.05188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1074
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
52.21274	0.2
59.00955	0.3
59.01254	5.4
63.09710	0.2
63.58755	0.2
69.30548	0.2
85.02821	0.3
87.00753	1.1
95.04915	0.7
98.19756	0.4
117.01878	0.3
121.02873	0.2
123.04417	4.4
125.46869	0.2
133.02853	100.0
134.03188	5.9
161.04468	0.7
179.03413	0.2
179.03757	0.2
179.05522	3.7
179.06973	0.3
180.05858	0.2
207.08054	0.2
209.06056	1.1
211.07626	0.3
221.11787	0.2
223.02831	0.9
223.07608	1.8
224.08383	3.2
225.08801	0.2
239.10742	44.5
240.11099	5.3
256.07477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.84979	0.6
57.03314	1.6
58.03854	0.5
59.01222	0.6
63.15188	0.5
69.03323	3.4
71.04887	4.9
83.04896	1.5
88.38297	0.5
97.02802	0.6
98.19859	1.6
100.75598	0.6
123.08031	0.8
125.09620	2.2
126.56444	0.5
137.09563	0.7
140.49731	0.6
151.11211	1.2
153.12743	3.2
161.09650	1.1
163.78561	0.6
168.76378	0.5
173.05885	0.7
179.10721	8.2
180.11116	0.8
181.83081	0.5
184.05249	0.6
197.05960	1.5
197.11771	100.0
198.12091	7.7
198.84283	0.6
211.03879	0.5
212.04637	0.9
213.09209	1.4
223.07654	1.1
223.09727	2.8
226.06218	1.0
241.05186	1.2
241.08720	4.2
241.10799	64.6
242.09102	1.0
242.11171	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.58727	0.7
57.03327	9.3
59.01250	100.0
60.01580	1.1
65.01321	0.9
67.05426	1.2
71.04896	1.9
71.54371	1.0
83.04873	1.1
86.15827	1.0
87.00770	2.0
99.04417	4.0
107.09225	0.8
108.02057	1.4
109.02853	1.1
116.05635	1.0
119.08567	4.0
123.08062	1.9
135.08086	1.6
135.11664	1.1
137.09615	8.7
151.11194	1.6
153.12794	3.0
163.07539	2.1
171.08078	2.8
179.10698	4.8
181.08626	20.8
181.12212	1.8
183.04457	2.0
185.05913	1.2
195.08113	1.1
195.13777	2.9
196.05164	1.3
197.06009	4.6
197.11758	36.0
197.15465	1.5
198.03239	1.2
198.06801	1.9
198.12077	3.3
199.07582	1.3
200.04587	1.2
211.03922	4.3
212.04715	4.6
213.05453	3.1
213.09116	7.7
214.09438	1.4
223.07562	4.4
223.09554	1.5
225.05548	3.7
226.06400	4.2
227.07027	1.4
241.04886	2.2
241.08830	19.8
241.10829	12.9
241.14397	25.4
241.21736	1.1
242.09174	2.9
242.14798	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	241.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31522	0.6
57.03310	2.3
59.01248	0.9
71.04891	0.8
71.23518	1.3
80.62630	0.6
81.03310	1.2
81.51148	0.6
83.04897	4.6
95.04895	1.6
97.06465	12.8
105.53934	0.6
109.06467	0.8
111.08045	10.9
137.09637	1.0
147.11649	1.0
149.09593	0.8
163.11215	2.5
165.12759	100.0
166.13109	9.4
182.34183	0.7
184.50327	0.7
197.06020	1.6
197.15405	19.4
198.15759	2.7
209.11746	5.6
225.46999	0.7
227.12813	1.0
241.08745	1.8
241.14389	2.6
241.18115	0.9
241.21692	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	243.0662
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
57.03341	2.1
59.01240	2.7
65.62156	1.8
67.01765	5.4
68.99743	1.9
69.03328	56.9
73.02859	1.7
79.01771	3.8
81.03337	5.3
82.02871	3.7
85.02814	7.1
93.03336	2.8
95.01279	11.0
97.02830	30.2
98.19744	4.2
99.00725	3.4
99.92453	2.7
107.01266	13.4
107.04922	2.4
108.02057	100.0
109.02861	38.2
110.02372	17.2
111.00792	5.3
121.02850	31.4
123.00753	16.2
123.95922	1.8
125.02341	47.4
126.02708	2.3
135.00781	79.8
136.01106	3.4
137.02348	51.6
138.01801	3.4
138.02718	3.4
151.00258	3.7
152.01064	98.6
153.01515	4.3
154.99748	2.9
169.06525	8.5
181.12328	3.5
186.06764	2.3
197.06023	58.2
198.06375	6.9
200.05557	3.0
207.10242	3.2
213.05505	14.4
214.06282	10.5
215.07170	10.8
225.11250	5.3
227.07115	5.8
242.20499	2.1
243.02927	4.5
243.06613	63.7
243.10239	26.1
243.12392	9.4
243.15804	4.5
244.06981	9.2
244.10555	3.1
247.07454	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	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03322	22.7
59.01007	0.4
59.01257	5.2
60.92670	0.5
71.01229	1.5
73.02812	0.9
80.52814	0.4
81.03368	0.4
81.99616	0.5
83.04902	3.5
85.02847	1.0
85.73231	0.5
95.04890	0.6
96.95846	0.5
98.20604	0.8
101.02351	0.7
103.32493	0.4
109.06477	1.9
121.02831	0.8
123.08057	0.5
129.74919	0.5
135.11674	0.7
138.74205	0.5
149.05981	4.3
149.09613	0.9
161.04433	0.8
163.00215	1.8
167.10703	3.6
175.03871	1.2
177.12776	1.3
179.10728	2.3
190.99753	1.1
193.04991	1.4
193.15924	3.3
195.13824	4.7
218.99277	2.9
219.13887	1.4
237.00356	0.7
237.14920	100.0
238.15257	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	239.0559
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01252	9.2
71.29815	2.8
71.51087	1.1
73.05892	1.5
87.00737	13.1
93.03349	2.6
94.93121	1.4
105.28249	1.5
105.28961	1.6
106.04120	8.9
107.04911	41.9
108.02036	4.3
108.05260	1.7
121.02833	8.9
133.06503	23.5
133.30820	1.5
135.04433	5.8
149.05988	52.5
150.06322	3.3
161.04414	2.2
177.05498	63.2
178.05820	4.6
179.03426	100.0
179.05476	4.4
180.03760	6.8
184.18687	1.5
195.06630	6.1
221.04524	4.5
239.05585	91.5
240.05989	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	239.0559
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
50.18036	1.4
59.01254	5.0
67.57365	1.5
71.22918	3.4
87.00762	13.0
93.03349	4.2
106.04144	8.2
107.04906	40.1
108.02047	4.2
108.05262	1.8
115.19834	1.4
121.02852	8.9
127.51680	1.5
133.06490	22.2
134.03650	1.6
135.04408	6.4
147.04356	1.7
149.05980	50.1
150.06325	2.9
158.81613	1.8
177.05487	65.1
178.05814	4.7
179.03430	86.2
180.03777	7.7
184.96739	1.6
195.06541	8.8
221.04462	1.5
239.05579	100.0
240.05891	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	239.0559
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.68388	0.3
54.15203	0.3
56.93097	0.3
59.01254	0.9
61.46884	0.3
70.70861	0.5
70.71207	0.7
87.00748	2.4
91.01781	0.4
93.03331	0.5
105.24018	0.3
106.04113	1.6
107.04913	7.7
108.02048	0.8
108.25500	0.3
111.40765	0.3
121.02859	1.3
133.06476	3.6
135.04414	1.3
149.05988	25.1
150.06332	1.7
151.03896	0.4
161.04367	0.3
165.62341	0.3
177.05492	30.0
178.05801	2.0
179.03419	60.5
180.03764	4.2
193.04906	0.4
195.06566	5.7
221.04514	3.3
232.78677	0.3
239.05582	100.0
240.03610	0.7
240.05899	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	239.071
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
58.02179	0.5
59.01252	18.9
65.03849	0.6
71.01255	1.0
71.53680	0.7
83.01234	0.5
85.02821	1.6
87.00748	2.8
90.19000	0.5
91.01768	27.8
92.02095	0.8
95.01247	0.5
99.00741	0.9
108.02013	1.2
109.02855	5.2
119.61364	0.6
135.00778	20.6
136.01036	0.8
145.59253	0.5
147.04420	0.6
148.01582	6.4
153.01842	8.6
161.02423	0.6
161.04431	2.0
167.08578	1.4
169.06494	1.6
179.03366	1.1
179.05528	14.5
180.00549	1.3
180.05788	0.6
181.01010	0.6
193.06593	1.6
195.08070	3.9
196.05104	0.5
197.06004	12.2
198.06418	1.4
203.23798	0.5
211.07698	1.2
224.04729	1.0
239.07117	100.0
239.16597	1.5
240.07472	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	237.0401
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
52.30632	0.3
54.65079	0.3
59.01243	0.6
71.01253	0.5
71.14748	0.7
77.29840	0.3
85.02825	0.7
93.06978	0.4
101.02351	0.5
103.05405	0.4
105.06986	0.6
106.04122	0.5
106.26295	0.4
107.04962	0.5
108.02061	2.6
109.02834	1.5
119.04926	0.6
121.02827	0.7
121.06483	1.9
122.03606	1.3
123.04415	2.3
130.04135	0.7
131.04921	2.3
133.02844	0.3
134.03644	1.2
137.02362	0.5
147.04427	4.0
148.05205	7.0
149.05984	100.0
150.06310	6.7
157.12286	0.3
175.03937	0.5
182.47379	0.3
193.04987	35.9
194.05365	2.3
237.03992	5.0
237.07684	0.4
237.11307	0.5
259.83820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0555
Annotation	Primuliten
Peak:m/z	Relative Intensity
50.85654	0.2
52.59494	0.2
57.47179	0.2
59.01257	0.5
65.18110	0.2
71.01260	0.3
71.34466	0.3
91.01765	2.0
98.00682	0.2
101.02299	0.4
117.03357	0.6
121.02869	0.2
132.02110	0.5
135.00768	1.6
139.05383	0.2
143.04898	0.4
149.05998	3.4
163.00255	0.5
165.07033	0.9
167.04927	0.7
177.19684	0.2
180.05756	1.3
181.06494	1.3
190.99757	0.3
193.04965	1.0
193.06522	2.5
208.05219	4.5
208.07198	0.3
209.05974	2.6
213.00629	0.2
218.99342	0.9
237.05545	100.0
238.05872	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	237.0554
Annotation	Pachybasin
Peak:m/z	Relative Intensity
55.60637	0.2
59.01244	0.4
61.76851	0.2
62.48967	0.2
69.26328	0.8
69.26749	1.2
71.01257	0.2
80.42831	0.2
85.50881	0.2
87.00739	0.2
91.01761	1.8
101.02321	0.3
108.02074	0.3
109.02811	0.3
117.03339	0.4
121.02827	0.6
122.03649	0.2
129.03392	0.2
131.04993	0.5
135.00795	1.2
147.04453	0.7
148.05136	0.8
149.05988	10.4
150.06308	0.7
163.00345	0.3
165.07007	1.1
167.04994	0.6
173.66222	0.2
175.03922	0.8
180.05768	0.9
181.06473	1.3
190.99896	0.3
193.04980	3.9
193.06549	2.6
194.06929	0.4
207.02856	0.3
208.05226	4.6
209.05952	2.3
218.99295	1.3
236.04813	0.2
237.05545	100.0
238.05859	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	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03318	1.8
59.01244	4.8
70.38426	0.9
71.01251	4.1
71.52716	1.6
72.99168	2.8
75.00748	16.6
78.95777	1.3
84.08016	0.9
85.02826	4.2
87.00751	100.0
88.01109	1.5
89.02298	3.4
95.06055	1.0
101.02310	1.6
103.00227	1.2
113.02334	1.4
129.01836	20.2
147.02870	1.3
190.67165	1.1
193.03564	0.9
218.41592	1.0
218.63106	1.0
237.06096	28.0
238.06445	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	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01249	3.2
69.49172	1.4
69.49580	3.3
71.01260	2.8
72.99166	0.7
73.02861	0.8
75.00750	3.8
76.75719	0.6
83.77627	0.8
85.02821	1.8
85.88795	0.6
87.00754	40.6
88.01074	0.8
89.02319	1.4
93.03355	1.4
97.65406	0.7
98.20580	1.3
101.02312	1.5
103.05368	0.7
108.02046	2.5
108.04446	0.7
109.02809	1.8
113.02360	0.8
119.04948	1.3
121.02791	0.8
121.06455	1.8
122.03645	1.0
123.04379	1.5
129.01837	6.8
131.04938	2.3
133.35088	0.7
134.03622	0.8
147.04417	4.9
148.05203	7.8
149.05989	100.0
150.06352	6.1
161.04501	0.8
175.03972	1.6
193.04991	35.1
194.05273	2.5
206.59566	0.7
221.39403	0.7
221.91376	0.6
237.03981	5.3
237.06163	5.4
238.04344	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
71.01268	0.3
71.32871	0.6
71.78470	0.2
101.02325	0.4
107.04936	0.2
121.02801	0.3
134.03619	0.5
135.04385	0.5
136.05135	0.7
148.05203	9.7
149.05962	1.2
149.09615	1.0
162.06836	0.5
175.07518	0.4
176.08385	1.1
177.09140	43.0
178.09468	3.1
190.09937	2.1
190.99857	0.2
191.10670	1.1
192.11496	33.4
193.05054	0.2
193.11914	3.2
201.09126	0.4
203.07101	1.0
206.09390	0.5
213.55243	0.2
217.08659	3.6
218.09427	8.8
218.99294	0.7
219.09807	0.8
236.10506	100.0
237.10869	10.1
237.14868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0401
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
53.55167	1.1
71.01263	1.8
71.08698	2.3
71.09038	1.8
78.67374	1.1
88.41266	1.1
93.03342	1.2
108.02041	2.8
109.02861	1.9
121.02856	6.4
121.06453	1.8
123.04430	2.9
130.04192	1.6
131.04901	2.5
147.04440	5.6
148.05193	11.4
149.05988	100.0
150.06335	7.8
175.03856	1.5
193.04993	45.8
194.05342	3.5
218.99306	2.6
237.04085	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	237.0402
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
59.01240	0.5
69.56550	0.6
69.56965	1.3
71.01252	0.3
96.47013	0.3
108.02057	0.8
109.02849	0.5
119.04910	1.7
119.69978	0.3
121.02864	0.7
121.06483	0.3
122.03605	0.5
123.04411	3.5
129.03371	0.3
130.04126	0.6
131.04919	0.7
139.03897	0.6
147.04416	3.8
148.05254	2.0
149.02353	0.9
149.05988	20.1
150.06302	1.5
158.03638	0.5
163.00269	0.6
165.05536	0.6
174.03148	3.9
175.03928	100.0
176.04274	7.6
177.01852	11.9
178.02161	0.7
193.04996	7.7
193.06731	0.4
194.05391	0.8
199.03773	0.3
218.99374	0.8
219.02913	1.3
237.04025	23.9
238.04361	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	237.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
69.71753	2.4
69.72156	1.6
71.01257	21.4
72.01564	0.7
75.40163	0.8
78.02168	0.7
85.02837	0.6
95.01219	0.8
101.02340	1.3
107.52000	0.6
108.02061	0.8
113.95867	0.7
115.00263	8.5
118.00898	0.7
121.02845	100.0
122.03138	4.6
123.04380	0.8
147.04436	2.4
148.05202	2.0
149.05984	19.9
150.06310	1.3
163.00264	2.6
175.03920	7.0
176.04767	1.4
177.01863	1.4
187.07582	2.8
190.99815	2.7
193.05011	9.3
205.01514	1.3
205.08606	1.3
218.99376	5.3
219.02914	1.5
222.05199	0.6
237.04045	2.8
237.07628	1.1
237.11279	1.8
237.14925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
59.96596	0.5
60.97373	0.6
63.09766	0.3
68.09795	0.3
70.91482	0.7
74.98944	7.4
74.99352	0.4
75.96086	0.4
91.02090	0.7
93.00004	3.0
93.03324	0.5
111.93356	0.3
118.96185	0.8
125.71996	0.3
134.99295	7.0
135.99295	0.3
136.97208	2.4
141.07292	0.4
143.05264	0.6
149.00862	69.7
150.00842	4.4
150.98796	0.9
159.08408	1.9
161.02324	0.6
161.06310	3.7
173.04503	0.9
201.04135	0.4
205.01379	0.4
206.22694	0.3
213.69424	0.3
215.05603	1.5
215.09373	0.4
217.07161	96.4
218.07294	12.7
233.10304	100.0
234.10445	13.7
234.15656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.17
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
51.10955	0.3
56.04551	0.2
59.01248	6.4
61.98689	0.4
64.85851	0.2
69.03311	0.3
71.01241	1.5
73.02825	0.8
79.59223	0.3
83.04894	0.8
85.02828	0.9
87.00745	0.3
91.01789	0.3
101.02354	0.3
111.57969	0.3
119.01272	0.3
142.10849	0.3
147.08038	0.3
148.05112	0.5
151.07397	0.4
163.00261	0.5
163.03796	0.3
163.07526	0.3
163.14827	0.8
188.78284	0.2
190.99748	0.3
191.07033	0.6
191.17975	1.9
191.19409	0.3
192.00375	0.3
192.06631	0.5
199.01762	0.3
204.90224	0.3
217.15858	1.4
220.03754	0.3
229.92668	0.4
233.15424	1.5
235.02336	0.5
235.06139	1.0
235.16994	100.0
236.10565	0.4
236.17348	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	233.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.8
65.03821	0.3
69.82008	1.0
69.82416	0.8
75.76082	0.3
84.16199	0.4
89.03844	8.3
90.04164	0.5
93.03354	1.3
98.20509	0.7
105.03343	1.5
110.81448	0.3
117.03368	2.8
123.04423	1.0
132.02034	1.4
133.02870	3.8
143.01288	0.5
145.02879	0.5
146.03648	0.5
160.01576	8.8
161.02350	100.0
162.02718	8.0
173.04510	2.0
173.05894	0.4
185.11221	0.4
189.01862	29.1
190.02457	4.3
191.10716	0.4
199.07639	0.4
205.01361	2.0
207.02933	2.4
222.01593	0.5
233.00890	2.5
233.04526	0.6
233.08167	0.7
233.15437	11.2
234.01585	1.0
234.15735	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
59.01252	23.1
70.66077	2.3
70.66412	2.7
71.01258	10.6
71.04871	1.6
72.99191	2.8
73.02816	2.7
77.05141	1.2
83.01252	2.1
85.02824	1.6
87.00762	1.7
88.80656	1.4
89.03863	5.7
93.03331	3.3
96.23504	1.3
99.00742	2.2
101.02345	2.2
104.03417	11.8
111.00791	2.9
117.03349	1.5
117.05457	2.0
129.01868	3.3
133.02798	2.4
160.01550	8.9
161.02357	100.0
162.02673	7.9
173.04483	5.5
176.02782	1.6
178.55360	1.9
183.34416	1.4
188.09235	3.6
189.01871	40.2
189.05603	1.6
190.02336	2.5
207.02942	2.2
220.29616	1.4
233.00954	2.8
233.04637	2.9
233.06577	3.1
233.15433	30.4
234.09789	14.0
234.15846	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	233.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42424	0.5
59.01246	9.4
65.97687	0.5
66.27003	0.6
67.01760	0.8
71.51928	0.6
89.03846	13.4
90.04193	0.8
93.03331	2.9
105.03347	1.8
117.03323	1.1
123.04426	2.7
132.02048	2.6
133.02844	3.8
160.01566	16.4
161.02350	100.0
162.02689	7.5
173.04460	3.8
187.68355	0.5
189.01857	33.0
190.02197	3.3
207.02934	2.4
233.04547	0.7
233.08215	1.2
233.15424	31.2
234.15787	2.9
243.60043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01255	8.6
67.01765	0.5
68.04259	0.4
69.11446	0.4
71.01259	1.8
71.52769	0.6
72.38057	0.4
73.02882	0.5
82.18233	0.4
83.01254	0.7
85.02837	0.8
85.54243	0.3
89.03843	9.1
90.04229	0.5
93.03329	1.7
95.04933	0.7
96.36047	0.4
99.36558	0.4
101.02333	0.4
105.03338	1.1
111.72263	0.4
117.03381	1.1
123.04443	1.5
129.01811	0.6
130.90564	0.4
132.02061	1.6
133.02887	2.7
160.01587	8.9
161.02367	100.0
162.02689	6.8
173.04486	1.5
189.01883	29.3
190.02205	2.4
207.02965	2.3
226.82454	0.4
233.00858	1.4
233.04449	0.7
233.15451	14.8
234.15756	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03316	0.6
58.38430	0.4
58.87436	0.4
69.03339	0.5
69.24159	1.3
69.24566	2.9
69.31863	0.4
83.04897	0.4
165.12730	0.8
167.14331	36.6
168.14674	3.2
172.05188	4.2
173.05954	1.0
174.03165	0.6
185.05980	0.8
185.15437	0.9
186.06715	0.6
199.03857	2.2
200.04752	5.2
201.05252	0.7
201.09158	2.1
211.13341	38.9
212.13742	3.0
213.05481	0.7
214.06258	1.3
229.05038	0.9
229.08664	20.4
229.14410	100.0
230.09019	2.3
230.14743	8.8
238.63730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1024
Annotation	Drupanin
Peak:m/z	Relative Intensity
64.23781	0.5
69.18876	1.3
69.19302	4.1
70.02847	2.0
106.03252	0.5
114.01853	4.3
117.03340	1.0
131.04999	0.6
133.89211	0.5
134.06046	0.9
137.02293	0.5
146.03656	2.9
146.31245	0.7
147.04393	2.3
159.04428	91.5
160.04848	5.9
162.03137	0.9
172.05193	0.7
173.05994	2.3
174.03210	3.2
174.06801	5.9
175.03931	10.0
176.04536	0.7
187.03906	1.3
187.07605	2.2
189.09151	88.2
190.09445	7.8
202.06361	0.6
213.09138	1.0
216.04250	2.5
229.08640	0.7
231.03021	2.6
231.06516	4.0
231.10234	100.0
232.10564	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47983	0.3
58.15176	0.2
59.01250	3.4
62.78140	0.2
64.72644	0.2
65.03835	0.3
69.52351	1.1
69.52763	0.7
89.03842	8.6
90.04181	0.4
93.03337	0.9
95.04925	0.4
95.27553	0.2
98.20547	0.5
105.03350	1.1
117.03361	2.9
119.63097	0.3
123.04404	1.7
132.02054	1.9
133.02861	3.8
143.01248	0.5
160.01566	9.0
161.02356	100.0
162.02704	6.5
162.04800	0.3
173.04515	0.5
181.13762	0.2
189.01871	28.4
190.02274	2.4
193.59061	0.4
204.79979	0.3
205.01343	3.2
207.02905	2.1
233.00873	2.4
233.04408	0.3
233.15443	4.0
234.15852	0.4
250.44179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
66.98895	0.7
69.41128	5.8
86.59591	0.7
109.32511	0.8
136.44952	0.7
165.12761	19.3
166.13148	1.4
183.13826	100.0
184.14120	6.9
209.11771	1.9
227.12839	15.7
228.13097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29613	0.3
80.02556	1.8
81.03324	1.3
81.05516	0.3
83.04905	5.7
84.02042	3.0
95.04906	0.8
125.05998	0.8
125.09576	0.4
135.08000	0.5
163.11205	5.2
165.12782	3.8
178.09697	0.3
181.12198	0.6
191.10670	1.5
199.13370	0.6
209.11774	100.0
210.12109	8.8
227.10791	0.5
227.12823	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	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
57.12056	0.3
59.01250	0.2
60.48394	0.3
69.03324	0.2
71.04892	0.7
79.00447	0.3
80.02554	2.1
81.03332	1.9
83.04900	7.8
83.94176	0.3
84.02042	4.5
95.01258	0.3
95.04892	1.1
98.19830	0.6
99.04389	0.3
105.41683	0.3
109.06504	0.4
115.65571	0.3
125.05971	0.5
125.09587	0.8
135.08017	1.3
163.11183	7.3
164.11588	0.4
165.12759	4.5
165.86790	0.3
166.13127	0.5
181.12219	1.0
183.13905	0.5
191.10739	1.7
192.72527	0.3
199.13374	0.6
209.11766	100.0
210.12114	9.3
227.03389	0.6
227.07037	0.4
227.10797	0.7
227.12799	3.2
227.20061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57492	0.4
54.44849	0.5
57.29604	0.5
59.01290	0.7
68.55377	0.5
71.04881	0.8
80.02538	2.3
81.03324	1.9
83.04900	8.4
83.13625	0.5
84.02040	3.0
95.04905	1.0
97.27695	0.6
98.19813	1.8
109.06469	0.6
125.05986	0.6
135.08054	1.3
136.99734	0.5
159.72070	0.5
163.11197	7.1
164.11487	0.9
165.12738	4.9
175.52534	0.6
181.12283	1.1
183.04474	0.6
183.13821	3.6
191.10686	1.3
197.06052	0.5
198.06622	1.0
199.13326	0.9
209.11771	100.0
210.12117	10.0
227.07085	0.9
227.10690	3.9
227.12862	4.9
227.20145	1.3
228.13181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01252	100.0
59.65755	0.5
60.01596	1.3
62.56543	0.5
70.37259	1.0
70.37616	0.8
83.04926	0.8
95.04895	0.7
97.06469	3.5
109.06546	0.8
116.23819	0.4
123.04459	0.5
134.03613	0.7
135.08096	1.8
137.02367	0.8
138.82014	0.4
147.08051	2.7
163.11209	1.0
165.01855	0.5
165.09169	1.6
177.06978	0.5
179.08655	1.1
181.12259	1.1
196.05231	14.4
197.05754	1.8
197.09740	1.8
206.07233	0.5
207.02992	0.5
207.08182	1.6
207.10249	1.9
208.05269	0.7
209.06015	24.9
210.06494	5.7
211.07513	1.0
223.07603	27.4
224.08279	13.2
225.09192	24.8
225.11372	27.3
226.09589	2.7
226.11736	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	225.1492
Annotation	Blumenol B
Peak:m/z	Relative Intensity
57.03313	0.9
59.01246	6.2
60.67201	0.6
61.98699	0.6
65.00191	1.4
68.58495	0.6
68.99676	1.2
71.01241	0.7
71.54780	1.1
73.05528	0.6
81.03318	0.9
83.04896	2.0
83.87555	0.7
93.03338	1.6
96.04395	0.6
97.02850	1.0
97.06434	1.0
99.00748	0.6
101.02283	1.4
107.04917	0.6
109.06480	1.3
111.04441	1.0
136.98750	1.2
137.02357	1.4
151.03931	1.4
163.11212	2.4
163.14754	1.4
165.01823	1.0
169.12283	0.7
181.12257	4.3
181.15858	1.4
189.12747	1.4
195.02890	1.7
195.13860	9.0
196.05164	2.4
197.06041	6.6
197.15417	5.6
198.15666	0.7
205.12195	0.6
207.10301	5.7
207.13841	24.1
208.14203	2.5
209.06012	1.7
210.05124	0.8
210.06902	0.9
211.07614	1.0
224.08281	0.8
225.00301	0.7
225.09113	6.8
225.11301	11.0
225.14911	100.0
226.09926	2.8
226.15271	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	227.0921
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.20161	0.6
59.01262	1.1
61.50068	0.6
67.07156	0.6
71.01286	1.4
71.53561	0.7
72.99184	100.0
73.99535	1.1
75.00748	3.9
87.72315	0.6
88.03919	5.1
107.04933	0.6
112.98682	0.8
113.05982	1.2
123.08098	1.0
132.02951	3.0
137.93489	0.7
138.06793	1.2
139.07539	2.8
151.07523	3.4
152.08365	3.4
153.09029	1.1
165.09120	4.7
165.12708	1.0
172.46461	0.6
183.04507	0.8
183.13773	2.5
209.08116	2.7
209.11687	1.5
227.03430	0.9
227.07596	1.0
227.09171	25.7
227.12772	1.2
227.14047	1.0
227.16380	1.0
227.20085	2.6
228.09372	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	225.0917
Annotation	4'-Methylpinosylvin
Peak:m/z	Relative Intensity
55.86459	0.6
59.01243	2.6
71.54267	0.9
73.02805	1.1
76.52184	0.6
80.04263	0.7
93.03338	1.3
111.29163	0.6
121.02869	1.9
123.04385	0.7
137.02347	0.9
139.05717	0.7
149.02347	1.2
155.08536	1.4
163.11200	1.5
168.05713	1.9
169.06445	1.1
169.10234	1.0
179.08638	2.9
180.04289	1.0
180.05756	0.9
181.10133	1.4
181.12254	1.8
183.08099	0.9
195.04518	1.6
196.05235	61.2
197.05959	24.5
197.09612	5.5
207.08105	4.3
207.10025	1.3
208.05283	0.8
209.03957	1.0
209.04507	1.0
209.06017	57.4
210.06529	17.0
211.07578	9.2
223.07605	72.8
224.08295	31.1
225.09163	100.0
225.11095	4.0
226.09781	19.6
239.07092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00987	1.7
59.01303	9.6
62.17888	0.7
69.03378	1.8
71.04963	1.1
80.02606	2.1
81.03329	3.7
83.04496	1.2
83.04885	4.2
84.02116	2.9
85.02854	0.9
90.68938	0.8
93.03402	1.4
95.04915	1.3
97.02831	14.4
99.00837	1.0
99.04463	1.3
106.04203	0.9
107.04945	1.6
107.27677	0.8
109.06476	41.3
110.03603	5.4
110.06880	2.9
111.04476	0.8
112.20476	0.8
121.06556	3.4
123.04462	1.4
135.08047	6.6
135.23940	0.7
136.05240	3.0
142.02614	5.1
142.63618	0.7
145.10176	1.3
153.12778	0.9
161.09630	2.3
163.11201	28.3
163.34319	0.7
164.11568	2.8
179.10672	1.7
181.12274	20.6
182.03705	0.9
182.12624	1.6
189.09102	0.9
196.05199	4.8
197.05945	1.6
207.10204	100.0
208.10535	10.0
209.06021	1.5
210.05087	0.8
210.06859	3.0
210.73088	0.7
211.07382	0.7
217.72330	0.7
225.01903	1.3
225.09190	8.5
225.11255	93.1
226.03084	2.7
226.09694	1.3
226.11618	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74285	0.5
59.01254	3.4
69.27184	0.5
69.38844	4.0
71.04890	0.8
81.03348	0.9
83.04910	0.7
95.04936	0.8
97.02834	12.6
99.00748	3.9
106.04079	0.5
109.06471	5.8
110.03632	5.4
123.04404	1.5
124.69772	0.6
125.09633	1.2
134.33298	0.5
135.08080	3.0
136.05177	3.0
142.02615	7.0
145.10036	0.9
145.59746	0.5
151.07579	0.5
153.12721	0.6
156.05568	0.7
161.09656	1.3
163.11201	13.7
164.11542	1.3
179.10730	1.3
181.12270	34.2
182.12621	2.9
189.09138	0.9
196.05235	1.1
197.11787	1.5
207.10213	83.7
208.10538	8.6
225.11281	100.0
226.11630	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	221.0451
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
59.01233	7.7
71.03775	16.4
75.95617	6.2
86.71835	7.0
97.10769	5.5
107.04897	8.9
131.04924	9.0
133.06473	100.0
177.05502	85.7
235.09811	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	223.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.9
55.07253	1.5
57.03309	1.7
58.00466	2.4
59.01251	48.9
59.88254	1.5
63.90160	1.5
70.35777	3.3
70.36144	3.5
70.99873	1.4
71.01255	31.1
72.99171	2.1
73.02823	100.0
74.03152	3.4
76.39229	1.6
83.01244	2.4
85.02820	6.0
87.00729	1.7
89.02320	32.5
91.03885	54.0
91.04458	2.9
96.03383	1.5
98.19891	1.9
99.00755	2.4
101.02328	21.9
112.75420	1.5
113.02309	2.9
131.03397	32.5
149.04437	3.0
193.01328	3.7
208.03737	4.4
223.02745	5.7
223.06131	5.0
223.08171	71.6
223.13377	4.6
224.08597	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	223.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01243	6.8
69.03322	7.3
70.30585	3.2
71.04885	2.8
73.02814	1.1
83.04913	1.5
85.04709	0.9
85.06446	1.9
95.79276	0.9
125.09598	1.0
149.09595	1.7
157.12053	1.0
161.13319	1.5
167.10683	11.5
168.11024	1.0
177.12785	2.1
179.10767	4.3
179.14339	12.9
195.13840	31.7
196.14192	3.3
205.10361	1.2
205.12277	22.0
206.12630	2.6
223.13354	100.0
224.13737	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	223.1333
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.10933	0.3
55.01745	0.4
57.03328	1.8
59.01248	10.6
65.48919	0.3
67.46692	0.3
68.80533	0.3
69.02956	0.6
69.03329	9.0
71.01255	2.5
71.04892	2.9
73.02818	3.7
80.02562	0.4
81.03326	0.7
83.04892	1.7
85.02789	0.3
85.06465	1.3
89.02318	1.2
91.03891	1.9
93.03305	0.8
95.04908	1.1
97.06444	0.9
101.02319	1.3
105.07188	0.3
107.04951	0.4
108.05657	0.9
109.06458	1.6
113.02330	0.5
121.06474	0.4
123.08059	0.8
125.09615	1.6
131.03392	1.2
135.11676	0.8
141.09102	1.4
149.09596	1.9
149.13153	0.4
151.11185	0.5
153.09061	0.5
161.13222	1.8
167.10677	12.1
168.10986	0.9
177.12730	2.1
179.10727	4.3
179.14325	11.5
180.11070	0.4
180.14664	1.1
187.11203	1.0
193.01361	0.4
195.13834	30.9
196.14169	3.1
205.12276	23.6
206.12622	2.3
208.03682	1.0
223.08223	2.5
223.13342	100.0
224.13689	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	217.0867
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
50.77687	0.2
51.44456	0.2
53.05207	0.2
59.01245	0.7
65.99716	0.3
66.84634	0.2
67.08792	0.2
69.28630	0.2
71.53747	0.4
73.07182	0.2
76.90704	0.3
85.74011	0.2
91.21967	0.2
91.31474	0.2
103.61942	0.2
107.85110	0.2
108.02037	0.4
111.27715	0.2
114.84825	0.2
138.01883	6.6
143.08598	0.3
145.02873	1.0
146.03638	4.6
147.04311	0.6
147.08018	0.3
148.05109	0.3
156.05678	0.4
157.06450	0.4
157.16537	0.2
159.04428	16.7
160.05168	1.7
161.02348	0.4
161.05981	0.5
163.03896	1.1
171.08006	0.6
172.05144	0.4
173.02354	4.2
173.05977	2.8
173.09674	0.3
174.03035	0.7
174.06789	18.3
175.03825	0.3
175.07555	6.1
176.07811	0.4
187.03934	0.9
188.04721	84.6
189.02042	0.3
189.05090	7.9
189.09132	0.9
199.07605	1.0
200.04765	1.2
201.05489	2.9
202.02617	0.4
202.06111	1.0
203.07161	0.5
216.07874	3.2
217.08658	100.0
218.09003	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.68410	0.3
59.01254	100.0
60.01587	1.8
60.99187	0.5
61.17574	0.4
62.48877	0.4
64.27058	0.3
69.70341	1.9
71.01254	0.5
71.04898	0.8
71.17040	0.4
72.86189	0.3
73.02837	1.3
74.47976	0.3
87.00755	0.3
89.02323	0.5
91.03887	0.8
98.02946	0.3
98.19851	0.8
101.23085	0.3
102.60370	0.3
110.75244	0.3
113.02325	0.4
119.66834	0.3
153.41821	0.4
161.13342	1.5
174.18929	0.3
214.41391	0.4
223.08205	0.7
223.13341	11.4
224.13684	0.8
240.84598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90295	0.5
57.03314	2.4
59.01247	6.8
68.76269	0.5
69.03325	8.9
70.89989	0.9
70.90314	1.0
71.01246	1.2
71.04884	1.9
73.02823	2.9
83.04894	1.4
85.06470	1.8
91.03894	1.4
93.03304	0.7
93.20713	0.5
95.04911	1.7
97.06460	0.8
101.02352	0.8
103.51527	0.5
108.05702	0.6
109.06480	1.5
125.09591	1.0
135.11711	1.0
139.25128	0.6
149.09595	1.8
149.13316	0.5
153.09099	0.9
161.13286	1.5
166.06340	0.5
167.10698	10.3
168.10994	0.7
168.78799	0.6
174.80562	0.5
177.12781	1.7
178.62526	0.5
179.10725	4.7
179.14326	9.9
180.10921	0.6
180.14639	1.2
184.55930	0.6
187.11096	0.8
195.13847	30.2
196.14200	3.2
205.12282	25.1
206.12642	2.9
223.08369	1.8
223.13353	100.0
224.13686	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	215.1647
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.18264	0.2
53.55684	0.3
59.01235	0.7
65.00198	0.7
69.42316	1.9
77.87517	0.3
94.44116	0.2
105.84801	0.3
130.04060	0.4
132.91193	0.3
137.02264	0.3
139.11261	0.3
144.00847	1.7
152.98132	0.3
154.78572	0.3
155.03323	0.3
159.04428	4.0
169.15903	5.8
170.16187	0.3
171.01904	0.5
171.04399	0.5
172.05157	1.5
173.05988	0.7
185.06021	0.5
186.06744	1.6
187.07619	2.3
197.06018	1.2
197.11772	0.3
197.15434	2.2
200.04747	1.7
200.08459	0.4
201.05275	0.4
201.09122	2.2
213.14815	1.1
215.00954	11.5
215.07133	9.4
215.10904	3.6
215.16470	100.0
216.01259	1.4
216.07445	1.2
216.11411	0.9
216.16808	9.3
232.03682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0707
Annotation	Nepodin
Peak:m/z	Relative Intensity
55.01737	0.2
59.01224	0.3
61.98697	0.2
70.14462	0.7
72.68533	0.2
79.32087	0.2
83.16537	0.1
93.03288	0.2
98.20583	0.1
106.04066	0.2
117.03325	0.2
121.02831	0.2
122.03589	0.2
127.55200	0.2
130.04115	0.3
131.04895	0.7
134.03642	1.2
137.02269	0.2
141.03322	0.2
143.04910	0.5
144.00813	0.6
144.05653	0.3
145.02823	0.2
145.06490	0.6
146.03604	0.4
147.04416	0.8
149.05983	1.6
155.04884	0.3
157.06520	0.3
158.03575	0.6
159.04431	13.7
159.08012	0.7
160.05084	1.0
161.02283	0.2
163.04048	0.2
169.06506	0.8
171.04399	1.0
171.08092	0.4
172.05223	10.6
173.06001	10.3
173.09601	0.2
174.03140	0.5
174.06763	0.2
175.03951	0.5
183.04457	0.6
185.06018	4.3
186.03145	0.6
186.06773	6.7
187.03949	4.9
187.07576	12.1
187.11134	0.5
188.04680	0.3
188.08089	0.8
193.05048	0.8
196.05246	0.3
197.06013	4.7
197.09709	0.4
198.06485	0.5
199.03918	0.4
199.07629	1.0
200.04733	25.7
200.08327	2.1
201.05490	16.0
201.09132	4.8
204.04176	0.8
213.05481	1.3
213.09019	0.2
214.06053	0.5
215.01207	4.2
215.07095	100.0
215.10339	12.5
216.01183	0.4
216.07698	19.6
216.10962	2.6
218.05774	0.6
232.03734	10.7
233.04102	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	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16825	0.3
56.56316	0.3
69.03323	1.1
69.41435	1.8
69.41840	0.8
83.04877	0.6
109.06239	0.4
125.91496	0.4
137.41170	0.3
148.01479	0.3
151.11272	0.4
155.10687	0.6
167.14323	1.4
183.13837	15.2
184.14195	1.5
193.12305	3.7
194.12544	0.5
211.13339	100.0
212.13683	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	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.17875	0.2
58.97372	0.2
62.94406	0.3
69.03320	1.0
71.31251	0.4
83.04917	0.4
87.35572	0.2
91.72502	0.2
111.68804	0.2
136.56319	0.3
137.09601	0.3
154.62088	0.3
155.10652	0.3
165.12724	0.7
167.10704	0.8
167.14342	1.6
183.13840	15.6
184.14168	1.3
192.88303	0.3
193.12254	4.2
211.13339	100.0
212.13681	10.5
213.04404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03320	0.4
59.30035	0.2
63.85565	0.2
67.01769	2.6
69.03326	0.4
69.77265	1.1
74.04760	0.2
79.34897	0.2
81.03369	0.2
83.04903	0.9
85.06459	0.6
87.56176	0.2
95.01255	0.6
97.06474	0.5
98.19830	0.4
101.76711	0.2
111.00796	0.3
121.02848	0.3
123.00759	0.4
123.04419	0.2
123.08039	0.6
125.02358	0.3
125.09612	4.9
126.09981	0.4
137.02443	0.3
145.16730	0.2
151.03990	0.2
151.11266	0.3
151.22116	0.2
154.86787	0.2
167.07094	0.4
167.14326	4.1
168.14613	0.3
175.11235	0.3
183.13829	0.8
193.12286	0.5
196.03711	0.3
211.13345	100.0
212.13681	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	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01257	0.4
61.95882	0.3
69.87707	1.0
69.88109	0.4
97.00433	0.3
98.20448	0.6
119.27328	0.3
183.13835	27.2
184.14172	2.4
195.13852	24.1
196.14174	2.7
211.13254	0.6
213.14909	100.0
214.15260	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67274	1.2
55.38245	1.4
57.03312	5.2
59.01252	12.9
69.03326	38.8
69.29667	11.2
69.29998	2.0
71.04907	6.3
83.04909	3.5
86.08524	1.3
93.03312	1.9
95.04883	3.6
95.23836	1.2
97.06511	2.0
108.05704	1.8
109.06476	2.1
111.08060	5.0
121.02853	6.1
121.10117	2.6
127.07559	2.4
135.07997	2.0
139.07558	1.7
147.11708	3.7
153.09138	8.3
163.11198	4.9
165.09106	4.2
165.12764	25.4
173.09662	2.1
176.19620	1.2
181.12277	30.5
182.12592	4.2
191.10701	33.4
192.11046	2.7
202.53020	1.2
209.11768	100.0
210.12140	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	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10076	0.7
52.89067	0.8
57.03323	8.5
58.00462	1.3
59.01229	1.6
69.03321	2.7
70.40073	2.3
71.01257	22.0
71.04875	1.5
72.01575	1.3
72.45436	0.8
73.02809	2.1
77.96049	0.7
80.02533	2.1
81.03333	3.2
83.01264	4.8
83.04910	6.1
84.02059	2.0
93.03328	1.4
94.02880	0.9
95.01284	1.0
95.04932	3.8
97.06459	5.7
106.04105	0.9
107.04873	1.0
109.06507	2.4
111.08043	3.8
112.01522	1.0
121.02848	20.5
122.03173	1.1
123.08027	1.7
124.03937	2.4
125.02296	1.3
125.09617	9.6
134.03651	1.3
135.08041	2.3
137.02365	0.8
137.09625	2.0
144.00587	1.0
145.10120	3.2
147.08157	0.8
147.11711	1.8
149.09633	1.1
151.00221	1.2
151.07489	0.8
151.11189	32.8
152.11504	2.5
153.12827	4.5
161.09639	2.1
163.11198	10.6
164.11522	1.1
165.09026	1.0
165.12764	25.5
166.13081	2.3
167.10669	1.9
173.09612	3.1
179.10704	6.2
180.11143	1.0
180.26202	0.8
181.12263	40.5
182.12624	3.0
191.10703	16.1
192.11000	2.8
193.98485	1.5
194.05774	1.4
209.04628	3.9
209.11775	100.0
210.12097	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82653	1.2
55.86976	1.2
57.03311	4.2
59.01251	16.1
69.03327	40.1
70.41143	3.9
71.01236	1.3
71.04896	3.8
83.04902	5.2
93.03337	2.7
95.04900	3.2
107.08533	1.6
109.06511	2.5
110.60896	1.3
111.08040	5.7
121.02854	6.6
121.10130	3.4
123.54660	1.3
127.07537	1.4
135.08063	2.4
135.83664	1.4
139.07565	2.1
153.09103	10.6
163.11186	3.8
165.09087	4.4
165.12758	25.7
166.13120	1.6
181.12271	32.7
182.12672	3.0
191.10715	36.1
192.11026	3.4
209.11769	100.0
210.12108	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	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.26225	0.4
59.01233	0.9
65.93066	0.4
69.03313	0.8
69.67371	0.6
69.67675	3.0
83.04892	0.4
93.63283	0.4
94.02875	0.5
121.02846	10.4
124.03949	0.6
165.12720	0.8
179.03360	0.5
191.10820	0.8
193.98457	1.0
209.04504	2.5
209.11772	100.0
210.12119	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	209.1178
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01764	0.9
57.03333	6.1
57.94590	0.7
58.00468	1.1
59.01236	1.5
69.03323	2.1
71.01254	21.9
71.04889	1.4
71.10445	1.4
71.10793	0.7
72.10754	0.7
73.02812	1.4
80.02558	2.3
81.03323	3.9
83.01260	5.2
83.04899	4.1
84.02038	2.3
93.03339	2.2
94.02845	1.0
95.04908	4.1
97.06465	5.0
107.04902	1.2
109.06498	1.4
111.08038	2.6
112.01565	0.8
115.94331	0.9
121.02854	19.2
122.03122	1.3
123.08045	2.1
123.45778	0.8
124.01413	0.8
124.03922	1.5
125.02361	1.4
125.09609	12.2
134.03625	0.9
135.08055	2.8
137.09610	1.3
144.00560	1.1
145.10120	2.3
147.11699	3.2
151.07532	1.0
151.11189	32.5
152.11552	2.3
153.12737	3.9
161.09621	1.1
163.11194	11.9
164.11479	1.0
165.12775	20.2
166.13063	2.2
167.10684	1.0
168.76180	0.7
171.66409	0.8
173.09639	3.1
179.10742	5.9
181.12259	42.9
182.12633	3.8
185.26933	0.8
191.10687	21.4
192.11057	2.2
193.98579	1.2
194.02075	1.3
209.00922	0.7
209.04530	2.3
209.11777	100.0
210.12149	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	209.1179
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
51.67032	1.0
54.88190	1.0
57.03332	5.7
59.01257	2.4
61.98697	3.1
65.00185	2.0
66.03323	1.1
67.85579	1.0
69.03326	3.6
70.76402	2.1
70.76707	1.3
71.01257	17.9
71.04911	1.5
73.02824	1.5
73.51376	0.9
80.02539	2.5
81.03326	3.1
83.01266	1.9
83.04898	4.6
84.02070	1.2
91.62264	0.9
92.99689	4.3
93.03346	3.0
94.02876	2.9
95.01271	1.4
95.04897	4.2
97.06474	4.7
99.04372	1.1
99.77679	1.1
102.20118	1.1
107.04941	1.7
108.02082	1.4
109.02813	2.0
109.06469	1.6
110.00013	1.2
112.01489	1.2
121.02856	80.9
122.03104	5.0
123.04438	1.3
123.08032	2.1
124.03963	8.1
125.02310	1.7
125.09618	5.2
134.03656	1.2
135.04442	2.4
136.01601	1.3
136.98746	2.3
137.02361	2.1
137.05983	2.2
137.09573	1.2
145.10112	3.0
147.08017	1.2
147.11676	3.9
148.28522	1.3
151.00333	1.8
151.03841	1.2
151.10045	2.0
151.11194	26.1
152.11559	2.3
153.12727	2.9
161.09608	1.5
163.11209	7.7
164.98219	1.6
165.01868	1.6
165.05487	2.1
165.12769	19.5
166.13058	1.5
173.09662	1.9
178.99753	2.1
179.03433	4.8
179.10678	6.4
181.05003	1.5
181.12271	32.4
182.12607	1.7
191.10751	16.0
192.11098	1.9
193.98509	10.3
194.02135	3.7
194.05792	4.0
209.00887	3.2
209.04533	14.7
209.08110	3.8
209.11786	100.0
210.04883	1.5
210.12137	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	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
55.86605	0.5
57.03326	2.6
59.01234	1.3
61.98701	0.7
65.00206	1.2
69.03329	1.9
71.01243	1.1
71.04884	0.5
71.53049	1.0
80.02539	1.1
81.03328	5.1
83.01260	26.7
83.04890	5.0
84.01578	0.9
84.02058	1.4
90.99629	0.4
91.01800	0.9
92.99700	0.8
93.03350	1.3
94.02842	1.2
95.04902	2.0
97.06479	5.3
108.02058	0.7
109.02850	1.0
109.06528	1.1
111.00794	0.6
111.08045	0.9
120.02067	0.8
121.02849	49.4
121.29842	0.5
122.03155	2.5
123.00797	0.5
123.04420	0.9
123.08055	2.7
124.03923	3.6
125.05959	0.9
125.09618	24.8
126.09946	1.5
134.03600	0.6
135.04407	1.3
135.08046	2.1
136.01500	1.3
136.98720	0.6
137.02351	0.8
137.05969	1.4
147.11702	1.0
151.00319	0.9
151.03955	0.8
151.11330	0.7
161.02385	1.2
163.11201	10.4
164.11537	0.8
165.01941	0.8
165.05449	1.4
165.09123	0.9
165.12762	4.2
165.98862	0.8
166.02585	0.7
166.13142	0.6
167.03423	0.6
173.09657	0.8
177.01926	0.5
178.99805	0.8
179.03409	2.1
181.01387	0.6
181.05046	0.7
181.12280	2.3
191.10716	8.4
192.10994	1.1
193.98561	4.1
194.02147	1.4
194.05791	1.6
209.00902	2.0
209.04517	9.4
209.11775	100.0
210.04840	0.8
210.12141	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08519	0.4
55.01757	4.2
56.11367	0.5
57.03321	2.7
59.01232	0.7
68.34768	0.4
69.03329	1.1
69.04153	0.4
69.22682	1.9
69.23107	2.8
71.01255	0.7
71.04884	1.3
80.02547	1.1
81.03329	5.0
83.01262	36.8
83.04896	4.6
84.01575	1.1
84.02052	1.7
93.03323	0.6
95.04906	1.4
97.02862	0.8
97.06461	5.6
99.04462	0.7
99.78352	0.5
106.04128	0.8
108.02052	0.5
109.06495	0.6
110.03638	0.5
111.08020	1.2
121.02851	8.6
122.03198	0.7
123.08006	3.4
124.12090	0.5
125.09617	28.9
126.09959	1.7
135.08028	3.4
136.47408	0.6
147.11714	0.9
163.11208	13.2
164.11523	1.4
165.12749	4.4
166.13202	0.6
167.17830	0.5
181.12244	3.0
191.10716	9.2
192.11050	1.0
193.98491	0.6
209.04456	1.4
209.11775	100.0
210.12128	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	207.0504
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01760	2.8
57.03323	3.0
58.00459	4.8
59.01249	35.5
62.52217	1.2
65.94428	1.0
67.01769	1.4
67.58254	1.2
68.99684	2.0
69.03323	1.9
69.67226	7.7
71.01252	24.2
72.01592	1.1
72.99179	28.9
73.02816	20.4
73.71511	1.3
74.13826	1.1
75.00750	10.6
83.01251	11.0
85.02817	16.3
87.00759	11.4
89.02316	13.0
95.01250	7.3
99.00754	10.9
101.02325	11.2
101.99441	1.5
103.00255	3.6
109.02868	1.9
111.00797	1.5
113.02332	16.3
115.00258	2.8
117.01822	100.0
117.05431	2.0
118.02154	2.8
125.02323	1.5
127.00278	11.5
127.02785	1.1
127.03864	1.4
129.01851	7.0
129.85315	1.2
133.01299	2.5
135.04422	1.8
147.02873	1.4
157.01372	1.5
163.03909	3.7
163.07588	1.5
164.86194	1.2
171.02919	1.5
177.01855	5.1
189.00337	5.7
189.04018	3.8
192.04196	6.9
207.01430	3.1
207.03226	1.4
207.05016	29.2
207.06662	3.9
207.10324	1.9
208.05473	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	207.0658
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03325	0.2
59.01251	1.0
68.95750	0.2
71.54104	0.3
75.06925	0.2
76.22545	0.2
77.03854	0.2
80.02568	0.2
81.03331	0.3
83.04877	0.2
93.03328	0.3
95.04918	0.6
105.03345	5.1
105.04015	0.4
106.03640	0.3
109.06487	1.9
119.04860	0.3
121.02863	0.4
123.04437	0.5
132.02130	0.3
133.02852	38.7
134.03186	2.3
135.04451	0.2
135.08060	0.4
148.05125	0.2
149.02371	2.3
151.03899	0.4
160.01617	0.3
161.02414	0.3
163.00177	0.2
163.03932	0.6
163.07553	0.2
163.11215	0.7
164.04727	2.7
177.01849	12.3
178.02220	0.6
179.03491	0.3
192.04208	100.0
193.04556	8.2
202.74405	0.2
207.02992	0.7
207.06567	17.1
207.10159	1.0
208.06966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0662
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
51.02199	0.9
55.01748	4.4
57.03325	40.7
58.00467	2.7
58.03627	1.1
59.01252	30.7
68.99680	4.6
69.03323	1.7
70.74999	2.2
71.01254	26.4
72.99176	7.4
73.02818	5.5
75.00755	11.0
78.95760	1.5
83.01250	12.3
84.02050	11.0
85.02824	99.0
85.99995	1.3
86.03177	3.1
87.00751	86.3
87.04377	2.4
88.01082	2.8
89.02324	11.4
97.02812	3.2
99.00754	10.8
99.04379	1.9
101.02310	6.7
103.03857	1.4
111.00764	9.0
113.02322	2.0
115.03888	4.8
121.02859	5.5
124.02853	1.0
124.03889	2.3
124.07077	1.0
124.83820	1.0
125.02283	1.2
129.01833	68.0
130.02208	2.7
133.01332	1.4
141.01825	3.8
151.03845	1.0
159.02895	14.2
165.05461	1.2
191.01871	1.8
191.05547	3.0
193.25414	1.1
194.02029	1.2
209.04631	5.1
209.06595	100.0
210.06877	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	8.0
57.03304	2.4
58.00461	4.2
59.01252	71.3
60.99186	2.7
68.68832	2.2
68.99692	11.5
71.01254	79.8
71.52071	3.5
72.01623	2.2
72.99180	48.9
73.02824	11.5
75.00749	37.3
83.01246	11.7
85.02827	3.9
87.00750	59.6
89.02309	6.0
96.99170	8.5
99.00757	33.0
100.98679	2.8
101.02342	9.6
103.00234	8.7
111.00750	13.7
112.98676	4.6
115.00258	100.0
116.00591	3.8
117.01836	13.2
123.22667	1.9
124.98734	11.1
127.00271	13.2
129.01825	16.8
130.99759	29.3
133.01314	2.6
142.99744	23.1
144.00528	4.1
145.01326	29.9
154.99760	16.0
157.01324	6.0
159.02910	2.2
161.02213	1.9
173.00830	3.2
175.02348	7.0
187.02252	2.2
190.02647	1.9
205.01295	6.1
205.03363	5.1
205.05119	4.0
205.15947	8.1
206.04320	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92302	3.3
55.01749	11.6
57.03320	7.5
58.00453	4.8
59.01255	96.8
60.99169	3.9
67.01768	4.7
68.99682	18.8
71.01257	98.0
71.04879	8.3
72.99183	76.0
73.02819	17.2
75.00747	42.0
81.03303	5.7
83.01256	19.8
83.04902	3.7
85.02834	7.4
87.00230	4.9
87.00755	76.4
89.02299	3.9
96.99191	8.6
97.99967	3.9
99.00766	41.1
99.04394	24.0
100.98679	4.4
101.02321	42.3
103.00230	8.7
105.03385	4.5
111.00762	72.7
112.98701	6.4
115.00261	100.0
115.03899	14.2
116.00575	3.4
117.01837	18.7
124.98681	15.1
125.01443	6.0
125.02336	85.0
126.02728	3.8
127.00244	13.8
129.01840	19.9
130.99765	36.5
133.02838	11.0
142.99770	26.8
143.03410	12.5
143.07048	8.2
144.00562	8.9
145.01328	71.2
145.04936	9.4
151.15530	3.5
154.99759	26.0
156.87648	3.8
157.01338	11.3
161.02290	5.7
173.00830	9.1
175.02383	10.9
177.01825	17.6
187.02397	20.2
187.05960	6.3
205.01353	25.8
205.03470	31.4
205.05058	4.2
205.07106	12.0
206.04210	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	205.0502
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
55.01774	0.8
55.34741	0.8
58.02848	1.0
59.01236	1.9
65.01305	1.0
65.99718	1.1
69.18871	3.0
69.19287	5.8
71.01247	3.7
72.99187	1.5
81.03362	1.0
87.00719	1.2
89.03853	2.9
91.05415	23.0
93.03375	1.8
97.59242	0.8
98.73301	0.8
99.00759	1.7
105.03359	3.9
115.00249	2.7
115.05420	1.5
117.06992	87.5
117.50795	0.8
118.07355	6.7
119.02468	0.9
121.02867	0.9
121.05129	1.3
125.02344	0.9
133.02853	8.2
133.06471	2.0
134.03337	0.9
135.04433	4.1
147.04466	1.3
148.05110	1.0
149.02368	1.0
149.05989	1.1
160.01572	0.8
161.02415	4.2
161.05997	100.0
162.02988	1.0
162.06331	10.0
163.07623	1.0
164.06989	0.9
176.82150	0.8
177.01857	17.4
178.02243	1.6
187.11070	1.0
190.02563	1.8
204.99428	1.8
205.01361	34.0
205.05077	8.7
205.08586	3.1
205.12279	2.8
205.15897	3.2
206.01733	3.2
206.08105	1.0
212.46222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	1.3
59.01247	3.4
65.03841	0.7
67.01741	0.6
67.94597	0.6
69.03323	1.1
69.40058	3.9
71.01253	3.5
72.99188	2.7
73.02808	1.1
75.00753	2.2
79.64459	0.5
83.01263	0.6
83.04888	0.4
84.71223	0.5
85.02825	1.1
87.00769	2.8
89.03840	1.2
93.03339	1.1
95.04916	1.0
98.92255	0.5
99.00741	1.0
101.02310	0.7
105.03341	2.3
107.04903	0.8
109.02782	0.9
111.00746	1.5
115.00269	4.3
115.07637	0.5
117.01840	0.5
117.03323	0.8
121.02886	0.7
121.05100	2.0
121.06406	0.6
124.98687	1.0
133.02856	4.9
133.06490	0.9
147.04422	1.6
149.02344	1.0
149.09633	0.5
153.45628	0.6
159.04485	0.8
161.02356	2.1
161.06006	2.0
161.13246	0.5
162.03107	0.7
162.89273	1.1
164.07048	2.5
175.00256	0.6
177.01825	8.4
177.05460	0.9
177.09041	0.6
178.02211	0.7
187.03993	1.2
187.11174	1.2
190.02657	1.9
191.03252	0.6
192.22502	0.6
205.01379	13.4
205.05096	4.6
205.08705	2.4
205.12285	100.0
205.15651	8.3
206.01823	1.0
206.04739	0.7
206.08228	1.7
206.12621	10.8
206.16011	1.0
224.56502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1593
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02846	0.2
59.01244	0.4
66.51309	0.1
68.99696	0.1
70.26575	0.1
71.01266	0.4
71.53291	0.2
72.99186	0.2
73.02833	0.2
75.00748	0.1
75.53739	0.1
81.03337	0.2
85.02833	0.2
85.82300	0.1
87.00759	0.2
89.03851	0.3
89.77165	0.1
93.03358	0.1
99.00752	0.1
105.03334	0.2
111.00750	0.2
115.00256	0.2
118.87944	0.1
133.02826	0.4
147.04408	0.1
149.05977	0.1
149.09595	0.1
161.02330	0.3
161.06053	0.2
161.09714	0.1
163.04060	0.1
164.07059	0.2
175.26245	0.1
177.01897	0.8
177.05397	0.2
189.12791	1.8
190.02779	0.1
190.13078	0.1
194.96204	0.1
205.01404	1.6
205.05013	0.4
205.15915	100.0
206.04449	0.2
206.16254	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	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.1
57.03311	7.8
58.00484	11.3
59.01251	73.8
60.01587	2.9
60.99173	5.1
67.01766	2.4
68.99684	16.3
69.03320	3.5
70.03558	2.9
70.03951	3.9
71.01256	53.2
71.04887	1.8
72.01591	5.4
72.99180	70.1
73.02821	19.1
73.99549	1.9
75.00748	34.7
83.01255	14.8
84.99190	5.9
85.02824	24.2
85.99972	2.7
87.00754	76.1
88.01089	5.1
88.18914	1.7
89.02328	14.5
89.08610	1.6
95.01263	6.3
96.99200	2.2
97.02833	2.9
98.20443	2.9
99.00768	28.5
100.01568	1.9
100.04753	4.5
100.98685	8.1
101.02319	15.4
101.99516	2.2
102.02686	2.7
103.00261	15.5
103.03883	1.6
109.02842	1.7
111.00780	2.4
112.98696	18.2
113.02328	23.8
115.00282	8.8
116.00593	6.3
117.01836	100.0
118.10820	1.6
125.02354	4.4
126.02695	14.9
127.00240	10.2
129.01836	29.4
130.02205	2.4
130.99768	99.8
131.03319	1.6
132.00093	4.7
137.10745	1.9
142.99767	6.4
144.00578	19.3
144.03755	2.1
145.01335	58.8
146.01714	8.0
147.02878	2.1
149.02367	2.1
156.00002	1.7
157.01343	26.7
164.07048	3.0
171.02849	3.8
172.49329	2.1
176.12386	1.6
177.01848	8.5
182.69160	1.7
188.02744	6.8
189.00320	4.5
189.04001	5.4
192.04201	7.8
203.07542	1.6
206.04193	27.1
207.03130	2.7
207.05032	38.4
207.06845	3.9
207.08475	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	205.0137
Annotation	Pisonin D
Peak:m/z	Relative Intensity
59.01233	1.8
60.48414	0.5
71.01259	2.8
71.14783	1.1
72.99181	1.3
73.02821	0.9
75.00755	0.7
78.31570	0.6
80.17101	0.6
81.03326	1.4
87.00751	1.5
89.03848	5.6
93.03309	1.2
95.04897	0.7
95.60368	0.5
99.00746	1.0
103.51238	0.5
104.28236	0.6
105.03349	9.5
105.36433	0.6
106.03669	0.7
109.02814	0.9
115.00253	2.4
121.02827	1.1
133.02852	20.7
134.03206	1.3
145.01392	0.6
149.02396	5.0
160.01526	0.7
161.02325	5.9
161.05989	1.1
162.02776	0.6
164.07089	1.2
164.94824	0.6
175.03755	0.5
177.01851	43.6
178.02156	2.9
205.01358	100.0
205.05090	2.3
205.12419	0.7
205.15906	1.9
206.01707	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	205.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48941	0.4
58.02849	12.3
59.01244	2.3
64.40715	0.4
65.03830	0.5
65.99728	0.6
70.02849	4.2
71.01250	2.7
71.52217	0.5
71.52621	0.7
72.00775	2.0
72.99189	1.3
73.02784	0.5
75.00753	1.0
77.03856	1.0
78.58496	0.4
81.03341	2.7
83.01287	0.9
87.00756	1.1
89.03847	12.4
90.04189	0.9
91.05401	2.6
93.03316	2.2
95.04898	1.3
99.00793	0.6
105.03343	18.0
106.03695	0.8
107.01312	0.8
109.02829	0.7
111.00779	0.5
115.00285	1.7
119.04983	0.7
121.02848	2.2
123.04417	0.7
127.00258	0.5
133.02853	36.3
134.03151	2.5
135.04442	1.3
139.03902	0.9
145.01270	0.5
146.03555	0.5
147.04419	13.4
148.05115	0.5
149.02362	5.8
160.01582	1.4
161.02359	9.7
161.06010	1.4
162.02809	0.7
162.09230	0.5
163.03937	0.5
164.07085	35.2
166.80185	0.5
175.03944	0.8
177.01855	60.7
178.02202	4.6
190.02592	0.6
205.01366	100.0
205.05077	2.9
205.08672	1.6
205.12218	0.8
205.15929	2.3
206.01694	8.6
206.08145	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	205.0137
Annotation	Pisonin D
Peak:m/z	Relative Intensity
50.31240	0.2
52.75307	0.2
56.95090	0.2
58.02855	1.1
58.78181	0.2
69.59541	0.6
69.59959	1.0
77.03841	0.5
81.03335	2.2
84.74685	0.2
86.87496	0.3
89.03843	9.2
90.04175	0.5
93.03329	0.7
95.04891	0.8
105.03343	12.8
106.03684	0.7
107.01259	0.4
109.02833	0.5
116.39786	0.2
121.02853	0.7
123.04433	0.5
131.01324	0.3
133.02852	26.3
134.03149	1.6
134.16956	0.3
139.03902	0.3
147.04482	0.5
149.02353	3.5
160.01564	0.9
161.02351	7.4
162.02724	0.4
164.07054	1.3
165.04778	0.3
176.33144	0.2
177.01849	56.5
178.02182	4.3
205.01360	100.0
206.01698	7.7
206.08153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01263	1.0
65.00198	0.5
68.13758	0.2
68.99696	0.2
69.03325	2.2
70.45416	0.6
71.01247	0.4
81.03331	0.4
83.01248	0.2
83.04897	1.3
95.01265	0.6
95.04895	0.3
97.02844	0.2
97.06461	0.6
98.41330	0.2
99.07997	0.2
107.04925	0.2
109.02842	0.5
109.99988	1.4
111.04410	0.3
121.02816	0.4
123.00774	1.7
123.08044	0.7
125.02348	0.8
125.09613	0.4
126.90395	0.2
135.08075	0.2
137.02371	0.3
137.09570	0.2
137.99467	1.1
138.03149	0.9
141.09090	1.4
151.11191	0.7
153.01900	0.8
153.05463	0.5
153.09125	1.6
153.12756	4.6
154.09486	0.2
154.13081	0.4
162.83771	0.3
166.99727	1.3
169.12256	19.7
170.12614	1.5
178.99765	0.3
179.10687	1.9
182.02115	2.3
197.04704	1.2
197.11766	100.0
198.12100	10.1
212.54974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.88542	0.5
59.01244	1.6
60.44425	0.6
65.01319	0.8
69.03321	2.3
71.01237	0.7
71.26374	0.5
80.01340	0.5
83.04893	1.3
95.01267	1.0
99.08092	0.5
109.02862	1.3
109.99947	1.1
111.04406	0.7
112.92041	0.5
114.33189	0.5
121.02840	1.0
123.00758	3.6
125.02309	0.9
125.09555	0.6
126.90287	0.5
135.07982	0.6
137.99527	0.9
138.03146	1.5
141.09120	0.8
151.11104	0.7
153.01785	1.0
153.05499	1.3
153.09097	2.6
153.12772	4.4
166.99796	2.6
169.06512	0.8
169.12250	19.5
170.12596	1.2
171.06671	1.1
179.03462	0.8
179.10678	1.7
182.02167	5.1
197.04456	1.8
197.06021	2.5
197.11766	100.0
198.12128	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	197.1539
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
54.00968	0.4
55.01746	0.5
57.03320	4.0
59.01259	1.0
65.00196	1.3
67.01740	0.6
68.99693	1.0
69.03329	2.1
71.01242	0.8
71.04902	1.3
72.99178	0.6
73.02819	0.6
75.18746	0.4
76.57027	0.4
80.02553	1.2
80.76060	0.4
81.03333	3.3
82.02854	0.7
83.01247	0.5
83.04399	0.9
83.04899	13.8
84.05199	0.4
85.02830	0.5
85.06446	0.8
93.03324	0.9
95.01289	1.5
95.04906	5.6
97.02886	0.7
97.06470	28.3
98.06798	1.4
98.20523	1.5
99.00748	0.5
107.04856	0.5
109.02837	0.9
109.06455	2.7
109.99977	4.1
111.04427	0.8
111.08042	23.1
112.08377	1.1
116.92793	0.4
121.02831	1.3
123.00784	5.4
123.08046	1.2
123.94357	0.4
125.02357	2.6
125.06065	0.4
126.90409	1.1
135.08049	0.9
137.02367	0.7
137.09613	1.6
137.99510	2.0
138.03143	1.0
147.11702	2.8
149.09596	2.0
150.88361	0.5
152.70523	0.4
153.01831	2.2
153.05490	1.6
153.09103	1.6
153.12753	1.0
155.07082	0.6
163.11200	7.9
164.11534	0.5
165.12766	100.0
166.13115	9.5
166.99759	4.0
167.14185	0.4
178.99794	0.7
179.03476	0.6
182.02142	6.4
197.00793	1.1
197.04521	2.0
197.06104	0.8
197.08110	1.5
197.11725	3.8
197.15434	1.3
198.07780	0.7
209.11787	6.9
210.12102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68457	2.1
55.01756	3.7
55.53886	2.3
56.02077	2.6
57.03331	4.2
58.00462	3.3
58.03655	4.4
59.01249	32.4
60.01584	7.5
60.73969	2.4
61.98713	3.1
65.17800	2.3
66.03369	3.1
68.01296	2.7
69.03328	11.2
70.02815	8.7
70.03661	6.5
71.01252	37.7
72.01576	21.3
72.99171	7.9
73.01658	3.0
73.02820	25.7
74.03149	15.6
75.00739	4.4
75.03237	2.6
78.95778	2.5
81.03311	3.4
82.04030	2.5
83.01250	9.2
83.02369	2.3
84.01606	12.6
85.02831	29.3
85.87643	2.4
85.99970	3.7
86.03155	30.8
87.00294	3.9
87.00755	28.6
88.01087	20.0
89.02295	3.1
90.76153	2.4
95.01277	5.8
95.02423	2.7
96.01591	6.7
96.95895	20.7
97.02828	10.3
97.39516	2.4
98.03161	18.7
99.00757	23.8
100.01093	25.7
101.02318	31.8
102.02644	39.4
106.26540	2.7
108.04450	4.5
109.02796	3.3
111.00777	3.3
114.02692	8.3
121.02833	10.2
122.03592	3.0
123.00753	3.7
123.04387	7.7
124.01180	2.6
124.05042	2.8
125.02350	8.1
126.02738	15.1
129.92268	2.8
134.03545	3.5
135.03969	6.6
136.01575	3.0
137.02359	4.0
141.01486	3.9
142.02194	14.7
150.03088	10.7
151.03870	6.0
151.07478	3.6
152.04582	3.5
152.91666	100.0
156.03741	10.2
158.05319	2.9
158.84569	12.2
161.04500	12.0
162.04794	70.1
163.04942	6.5
165.01820	8.1
165.05489	8.2
167.03392	3.2
167.90388	31.2
170.92789	6.1
176.06314	3.6
179.03006	9.1
180.04210	19.6
193.81480	5.0
193.88419	3.3
194.05672	4.9
194.07410	46.4
194.90585	5.8
194.92726	31.1
195.02876	6.1
195.06335	13.0
195.13777	3.3
212.93814	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01742	3.3
57.03325	4.7
58.00473	2.0
59.01253	23.2
67.29401	1.5
69.03318	12.2
69.12042	1.1
70.99973	3.1
71.01251	39.0
72.01597	1.5
72.99181	5.4
73.02820	42.3
75.00773	1.7
78.29060	1.1
79.01726	2.5
81.03336	5.0
83.01265	16.2
85.02824	46.6
85.99961	4.6
86.03164	3.1
87.00750	34.7
88.01093	1.9
88.97774	1.4
89.02316	2.5
95.01255	6.7
97.02824	22.8
97.45818	1.4
99.00758	37.5
99.04429	2.3
101.02322	68.1
102.02633	2.5
109.02795	1.3
111.00769	4.6
112.01540	2.3
113.02331	12.3
115.03925	2.2
117.01826	3.2
123.00761	3.9
124.01580	1.9
125.02336	21.0
127.03852	2.7
140.01031	5.3
141.01834	18.0
142.02620	2.3
155.03424	14.2
159.02928	5.0
161.04463	100.0
162.04858	6.4
173.04329	1.5
173.86191	1.4
175.06082	4.7
191.05544	4.2
193.07108	58.4
194.07524	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	197.1178
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.44896	0.2
59.01258	0.9
65.00193	0.3
66.47808	0.2
66.99251	0.2
69.03328	2.4
69.23288	0.9
69.23721	0.9
71.01253	0.4
72.99119	0.2
79.38397	0.2
81.63877	0.2
83.04892	1.6
83.11249	0.2
85.46976	0.2
95.01283	0.4
95.04936	0.3
97.06501	0.6
109.02831	0.3
109.99980	1.4
123.00769	1.3
123.08028	0.5
125.02334	0.6
125.09626	0.4
126.90383	0.2
137.09607	0.3
137.99483	0.5
138.03127	0.4
141.09122	1.3
151.11174	1.0
153.01846	0.8
153.05446	0.4
153.09137	1.9
153.12761	4.4
154.09521	0.2
154.13106	0.4
154.46291	0.2
160.84193	0.2
166.99744	0.8
167.10655	0.3
169.12262	19.8
170.12648	1.5
178.99818	0.2
179.10681	1.7
180.52208	0.2
182.02103	1.7
197.11777	100.0
198.12115	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	189.0186
Annotation	Ayapin
Peak:m/z	Relative Intensity
59.68086	0.2
63.02256	0.3
65.00196	0.3
65.03828	0.6
70.71405	0.5
77.03836	0.5
82.36290	0.2
89.03843	13.5
90.04171	0.6
91.01773	0.6
95.04912	0.8
101.02297	0.2
105.03333	2.3
111.00787	0.5
117.03355	0.9
119.01298	0.5
120.04453	0.3
121.02856	0.3
123.04405	3.0
132.02055	3.2
133.02873	4.7
134.03282	0.3
143.01302	0.7
145.02852	0.3
145.04852	0.3
149.02350	0.7
160.01570	14.5
161.02351	100.0
162.02693	8.0
164.03371	0.2
174.03180	0.3
189.01849	6.0
189.05482	1.4
189.09116	0.4
190.02223	0.5
198.03519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0186
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.14863	0.3
52.32090	0.3
65.00195	0.6
65.01340	0.5
65.99725	0.7
70.65970	0.5
70.66313	0.6
72.99191	0.4
75.32796	0.3
75.99322	0.3
77.92456	0.3
81.65499	0.3
83.04933	0.4
85.02815	0.5
87.00735	0.3
89.03844	12.7
90.04184	0.8
95.04905	0.8
101.02350	0.4
105.03367	1.6
107.02427	0.3
117.03356	1.2
119.02463	0.4
120.04439	0.9
123.04385	1.8
132.02087	3.3
133.02850	7.0
134.03537	1.0
136.05078	0.4
145.02855	0.6
145.06424	0.4
146.03632	0.4
147.04431	0.3
147.06697	0.6
149.02292	0.8
158.24879	0.3
159.04344	0.7
160.00218	0.7
160.01573	15.6
161.02351	100.0
162.03116	26.7
162.06606	0.5
164.01111	0.5
164.06644	0.3
182.78984	0.3
189.01860	9.6
189.03670	0.6
189.05402	1.7
189.07678	0.6
189.09196	1.1
189.12776	0.6
190.02637	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	191.0343
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
57.03317	0.8
59.01245	1.2
59.52388	0.3
63.02268	1.1
65.00167	0.4
65.03848	0.7
65.99722	0.4
67.01745	0.7
68.99684	3.2
71.01241	1.2
73.02812	0.7
77.03814	0.4
78.99940	0.4
79.05405	2.4
81.03317	1.1
85.02827	8.6
87.00751	6.3
91.05414	10.6
92.05728	0.5
93.03344	6.0
95.01302	0.4
95.04900	6.6
98.19825	0.6
99.00713	0.8
101.02334	1.0
101.03850	4.0
102.04665	0.7
103.05420	5.2
104.02574	0.5
105.03349	7.5
108.02056	0.8
111.00761	11.0
111.01481	0.7
111.04427	0.7
112.01123	0.4
117.03364	1.7
118.04153	0.5
119.04919	31.5
120.05258	2.2
121.02847	17.7
122.03594	0.8
127.03913	1.1
129.03358	25.1
130.04225	5.3
131.04486	0.7
133.02843	0.7
137.02359	1.3
145.02873	3.1
146.03639	6.5
147.04420	100.0
148.01564	1.1
148.04773	7.3
149.02390	1.8
163.03896	0.5
164.04587	0.4
173.02367	0.9
173.04469	0.9
176.01074	5.6
177.01520	0.6
191.01982	1.1
191.03444	28.1
191.05537	23.9
191.06947	0.9
191.10696	0.7
192.03775	2.2
192.05859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.13112	0.2
51.91029	0.3
54.90667	0.3
57.03311	0.8
57.19559	0.3
58.00471	0.4
59.01254	3.8
59.03598	0.3
67.01761	1.1
69.03325	0.9
71.01251	2.8
73.02821	1.6
81.03329	1.2
83.01262	0.4
83.04903	1.2
84.02068	0.3
85.02825	27.5
86.03164	0.7
87.00750	6.6
93.03339	7.8
99.00761	0.8
99.04373	1.4
101.02341	0.3
108.02028	0.4
109.02843	2.3
111.00771	1.6
111.04407	2.8
113.02313	0.6
119.04928	0.3
127.03925	5.4
128.04256	0.3
134.03520	0.3
134.91058	0.2
137.02361	0.5
138.05467	0.3
147.04405	0.8
148.01547	0.3
155.03470	0.3
163.00281	0.4
171.02933	1.5
173.04500	2.1
176.01083	0.7
191.05544	100.0
192.05881	6.1
192.07339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.05
Annotation	Scytalone
Peak:m/z	Relative Intensity
52.09633	0.4
55.01769	1.6
57.03328	1.0
58.00459	0.6
59.01251	5.4
69.03325	3.2
71.01256	8.5
72.99197	1.6
73.02818	10.2
77.12645	0.4
79.01788	0.6
81.03335	0.9
83.01254	3.8
85.02823	11.3
85.99971	1.7
86.03172	0.9
87.00755	8.6
89.02346	0.6
91.21410	0.4
93.03357	1.1
95.01260	2.4
97.02837	4.9
99.00758	9.7
101.02325	12.5
102.02644	0.4
106.04165	1.0
107.01315	0.7
109.02843	0.6
111.00764	1.5
112.01579	0.8
113.02362	2.4
115.03867	0.7
116.80865	0.4
117.01801	0.5
117.03341	0.8
121.02854	3.3
123.00747	0.9
124.74444	0.4
125.02339	3.8
127.03933	0.7
129.01820	0.4
129.47919	0.4
133.02858	3.4
134.03636	100.0
134.85844	0.5
135.03972	6.3
137.02350	19.1
138.02690	1.2
139.03915	7.2
140.01071	1.2
140.04242	0.4
141.01846	4.1
142.02608	0.7
143.03304	0.5
149.02371	1.0
149.05992	22.0
150.03143	2.1
150.06343	1.8
155.03435	2.2
159.02911	0.6
161.04466	17.3
162.04738	0.8
165.01855	0.9
175.06036	0.7
178.02634	62.9
179.02994	5.3
192.05711	0.4
193.05008	24.4
193.07091	9.9
194.05362	2.2
194.07104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01763	5.4
57.03325	4.9
58.00462	2.6
58.26250	1.1
58.52671	1.0
58.54918	0.9
59.01249	33.3
68.99705	1.8
69.03333	14.5
71.01254	44.3
71.21982	2.2
72.01566	1.2
72.99176	6.6
73.02817	52.2
74.03143	2.0
75.00784	1.3
79.01747	2.3
81.03330	6.3
83.01255	18.7
85.02824	56.6
85.99977	8.3
86.03139	2.3
87.00748	42.1
88.01086	1.5
88.63866	0.9
89.01249	0.8
89.02311	2.7
95.01252	9.7
97.02829	23.6
99.00751	44.5
99.04395	1.2
100.01048	1.0
101.02322	70.2
102.02695	1.5
103.00231	2.7
107.01291	1.6
111.00778	5.1
112.01569	3.1
113.02337	11.5
115.03927	2.3
117.01814	3.3
123.00757	5.1
124.01619	1.2
125.02336	21.5
127.03877	2.5
131.03416	2.7
132.14481	0.9
137.68361	1.0
140.01059	4.8
141.01839	22.0
142.02560	3.2
143.03407	1.4
149.05978	4.6
152.06877	1.1
155.03401	14.9
157.04942	1.3
159.02875	5.3
161.04465	100.0
162.04797	5.5
173.04460	1.5
175.06013	7.3
191.05544	3.8
193.07106	65.4
194.07439	4.2
205.03700	1.2
210.05022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
56.69449	0.3
57.03323	3.7
57.26600	0.3
58.89144	0.3
59.01247	1.2
65.01311	0.8
65.99728	0.4
66.89105	0.3
69.03323	1.0
71.04916	0.5
71.52579	0.4
73.20527	0.3
73.84718	0.3
80.02536	0.4
83.04912	0.6
91.02930	0.3
95.04918	0.6
97.06473	12.8
98.06817	0.5
110.14130	0.3
119.02416	0.3
123.08047	7.0
124.08392	0.3
124.94775	0.3
125.09614	100.0
126.09949	6.8
133.03976	0.6
143.10707	2.0
144.04390	0.5
145.08606	1.3
158.03656	0.3
159.04387	0.4
160.05048	0.9
169.08612	2.4
187.04103	0.6
187.06100	1.0
187.09686	36.6
188.09995	3.2
207.99539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0347
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
65.99697	0.2
68.56024	0.1
71.01234	0.4
71.18724	0.4
78.09621	0.2
89.03844	0.8
102.03371	0.9
111.00766	0.4
116.04960	0.3
117.03340	0.4
126.09932	0.4
133.02866	0.5
144.04449	100.0
145.04785	7.9
159.03151	0.5
160.01530	0.9
160.78186	0.2
161.02342	6.3
188.03441	4.2
189.01843	1.1
189.03773	0.4
189.05420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0187
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
58.85066	0.1
59.01273	0.1
61.22359	0.1
61.24795	0.1
63.02264	0.1
65.00212	0.3
65.03836	0.7
66.00872	0.1
67.56369	0.1
77.03860	0.4
87.00808	0.1
89.03844	13.5
90.04181	0.8
91.01781	0.5
93.03395	0.1
95.04910	0.9
105.03349	2.3
106.03998	0.2
107.42417	0.1
115.01778	0.3
117.03352	1.2
119.01304	0.4
119.02350	0.1
120.04446	0.1
120.05620	0.2
121.03962	0.2
123.04400	2.3
124.04796	0.2
126.05452	0.1
132.02071	3.6
133.02867	4.7
134.03242	0.3
143.01312	0.7
145.02844	0.2
145.06435	0.1
146.03529	0.2
147.06613	0.2
148.05063	0.2
149.02362	0.3
160.01579	14.4
161.02354	100.0
162.02696	8.4
164.03430	0.2
175.41837	0.1
189.01860	5.4
189.05490	0.3
189.07675	0.2
189.09166	0.3
190.02229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33038	1.0
54.21561	1.1
55.01745	2.6
57.03311	1.0
58.02826	1.1
58.18688	0.9
59.01234	3.6
59.82205	0.9
64.17291	1.0
67.01740	2.6
68.99689	5.2
70.87769	2.3
71.01255	11.1
71.04865	1.9
71.05778	1.0
72.04393	1.2
72.71656	1.0
72.99155	1.9
73.02803	2.2
74.02361	1.3
75.00746	1.3
78.21096	1.1
78.32653	1.0
81.03326	6.4
83.01260	3.7
85.02814	1.2
88.03913	2.5
89.02283	1.0
96.04452	1.2
96.99198	1.9
97.06477	2.5
98.02357	8.8
99.00764	9.1
99.04398	45.9
100.03930	1.3
100.04742	1.8
101.02264	2.0
101.07072	1.7
102.05475	6.7
111.00776	5.7
114.05479	5.4
115.03896	9.3
116.03404	3.4
116.07021	2.9
124.98726	1.4
125.02336	100.0
125.05952	1.9
125.09580	4.9
126.02666	4.9
126.05476	1.7
127.00269	4.7
128.03416	4.6
129.01872	1.4
142.04974	4.8
142.99739	2.3
143.03407	11.3
143.07066	1.6
144.02930	3.8
144.04488	6.2
144.06537	3.4
154.99786	1.3
157.01350	2.0
169.01343	2.0
169.04950	3.1
170.04536	1.4
187.02380	13.7
187.03882	2.3
187.05980	3.6
187.07452	1.4
187.09666	3.1
188.05525	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	187.0243
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
50.07320	1.3
53.60477	1.2
55.01759	7.5
57.03309	3.5
59.01249	9.6
59.21317	1.3
61.29349	1.2
65.00203	1.7
67.01759	4.0
68.99686	10.1
69.03331	2.3
69.74403	1.3
71.01259	33.1
71.04911	3.2
72.00780	2.6
72.99186	5.1
73.02832	4.3
74.02332	1.2
75.00754	2.4
81.03322	6.6
83.01260	11.6
85.02829	5.4
86.06011	1.2
87.00746	1.4
88.03877	3.3
89.02323	3.7
93.71212	1.2
96.36171	1.3
96.99211	3.0
97.06478	4.7
97.99997	4.2
98.02354	17.5
99.00764	36.3
99.04402	45.1
100.98698	1.2
101.02333	4.8
102.05493	4.5
111.00772	12.6
113.02334	1.7
114.05499	10.0
115.03922	11.2
116.03423	12.9
116.07100	2.1
117.01773	2.3
123.08028	2.6
124.98682	2.9
125.02344	100.0
125.05974	3.7
125.09617	20.6
125.99484	2.4
126.02663	4.6
126.05470	2.4
126.09930	2.1
127.00269	13.3
128.03433	5.0
129.01816	2.1
136.98763	2.6
140.00990	1.4
142.05014	9.1
142.99773	6.8
143.03416	12.5
143.07011	7.4
143.10735	1.6
144.02957	11.6
144.04466	29.1
144.06561	5.7
145.01160	1.3
154.99792	4.5
157.01306	3.1
159.04414	1.6
169.01340	3.9
169.04947	6.5
187.02338	18.4
187.03773	3.5
187.06059	5.5
187.07692	3.4
187.09459	9.5
187.11089	2.4
187.13412	1.8
188.03410	3.1
188.05591	7.5
188.09239	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	189.0186
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
57.54344	0.1
58.62873	0.1
59.01260	0.2
63.02274	0.3
65.00201	0.4
65.03847	0.5
68.99705	0.2
70.83341	0.3
71.46543	0.1
77.03862	0.4
77.45596	0.1
87.00760	0.2
89.03845	13.2
90.04196	0.8
91.01794	0.6
93.03356	0.2
95.04903	0.9
98.20506	0.2
101.02338	0.3
105.03346	1.9
115.01756	0.3
117.03353	1.1
118.03754	0.2
119.01294	0.3
120.04465	0.4
121.02885	0.2
123.04403	2.7
127.00303	0.3
132.02071	3.7
133.02863	4.0
134.03201	0.3
143.01303	0.6
145.02850	0.2
146.02400	0.1
148.05087	0.2
148.43631	0.1
149.02406	0.2
160.01582	13.4
161.02353	100.0
162.02693	8.1
164.03392	0.3
174.03146	0.2
176.70290	0.1
189.01863	5.4
189.05412	0.7
189.09163	0.2
189.11214	0.2
189.12811	0.1
190.02139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04443	1.2
59.01253	19.7
60.01574	1.8
60.28371	1.4
68.80640	1.7
68.99693	3.5
71.01256	21.9
71.51871	1.8
71.52286	1.5
71.76722	1.6
72.99179	9.0
73.02810	2.9
75.00745	7.5
83.01215	1.7
85.02806	3.4
87.00751	100.0
88.01063	3.3
88.86721	1.4
89.02317	6.4
89.03800	1.4
93.03351	3.1
95.04892	1.7
99.00780	9.6
100.98660	3.4
103.00189	1.6
105.03349	2.9
112.98785	1.6
113.02269	1.4
115.00271	3.7
117.01881	2.5
118.94676	1.5
121.02843	5.0
125.99067	1.8
129.01802	5.9
130.99013	1.3
130.99777	13.0
133.02841	13.9
133.06477	8.3
134.03659	2.2
135.04443	2.0
139.60092	1.5
144.00526	2.0
145.01321	6.6
149.02274	2.7
149.05959	2.1
161.00810	3.3
162.03142	20.4
176.03252	9.8
176.04645	2.3
177.01880	24.1
177.05460	14.6
177.09077	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.27958	0.2
59.01256	0.3
65.83872	0.2
84.10242	0.2
88.94946	0.3
89.74508	0.2
95.47330	0.2
124.01543	0.7
124.03897	0.3
136.99658	0.2
139.00266	0.4
151.79936	0.3
157.05122	0.3
165.01790	0.3
168.00536	0.4
183.13829	100.0
184.14174	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	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01746	7.4
57.03314	4.2
58.00463	7.6
59.01254	70.3
59.07220	3.5
65.01287	3.8
67.01740	7.0
68.99364	3.2
68.99673	18.4
69.03326	18.8
69.77229	17.4
71.01254	68.0
72.99187	17.1
73.02813	15.3
75.00745	12.3
75.36148	3.5
81.03361	3.6
83.01245	9.2
83.87603	3.2
85.02808	25.4
85.06480	4.6
87.00753	85.9
93.03336	8.9
95.04925	6.6
96.99197	6.3
97.02841	11.0
98.20467	4.1
99.00775	17.9
100.01521	6.3
100.98042	6.8
100.98686	100.0
101.99026	6.2
105.35087	3.8
106.04014	4.2
113.02364	6.1
113.05985	7.1
115.00262	36.0
115.03897	25.7
124.01545	4.4
124.98640	19.6
125.02327	4.5
127.97411	75.5
129.01833	6.9
130.99719	7.5
131.03441	3.8
131.04942	4.6
136.01555	3.5
142.99745	12.4
158.13004	3.3
175.02400	9.6
175.03920	19.8
175.06084	34.9
175.07471	7.4
176.01057	3.9
176.03380	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	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
53.00209	1.9
55.01752	1.9
57.03332	6.0
58.00470	7.1
59.01253	88.0
60.01608	2.7
61.22712	1.5
68.56353	1.5
68.99698	14.2
69.03313	11.1
69.89127	6.3
71.01254	99.5
71.04877	2.4
72.01608	2.7
72.99181	33.1
73.02811	12.1
74.02341	1.6
75.00749	9.0
81.03284	1.8
83.01248	9.0
83.04877	2.6
84.02045	5.2
85.02821	18.9
85.06464	13.9
85.99964	2.0
87.00751	100.0
87.04402	3.7
88.01098	1.9
89.02325	2.7
93.03341	4.2
95.01257	4.2
95.04939	5.4
96.99179	18.1
97.02816	10.3
99.00748	19.2
100.01578	2.2
100.98689	20.2
101.02344	4.6
101.34492	1.8
103.00242	2.2
103.56507	1.8
108.49410	1.6
111.04433	5.3
113.02367	4.1
113.05959	17.0
115.00261	56.4
115.03905	22.7
116.00607	1.6
117.01835	7.0
124.01582	2.9
124.98698	40.6
125.02376	2.8
125.86668	1.8
125.99022	1.6
127.65766	1.5
127.97411	15.7
129.01819	9.2
129.05463	5.2
130.99773	8.4
131.03362	2.5
131.04927	3.9
131.05975	1.5
131.07027	6.1
142.99791	10.5
145.01347	2.2
147.04391	3.6
157.01286	4.2
157.05006	8.5
160.01598	1.8
161.00865	1.8
175.02396	7.1
175.03937	7.4
175.06046	39.8
175.07504	2.8
175.09700	3.4
176.03299	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	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.84073	1.4
52.99595	1.7
55.01757	7.1
56.84004	1.5
57.03320	4.6
59.01252	10.3
60.99166	1.9
61.87745	1.4
67.01762	17.5
68.99670	4.0
69.03331	5.5
69.87935	5.7
71.01254	100.0
72.01601	3.5
72.99189	11.9
73.02809	13.4
73.68143	1.4
75.00750	2.7
81.03318	3.7
83.01260	11.4
83.04892	6.4
83.39508	1.5
85.02826	22.8
85.06439	8.8
87.00768	7.3
93.03336	59.5
94.03662	2.7
95.01305	1.5
96.99199	6.8
98.19775	1.6
99.00752	32.6
99.04401	7.1
111.00756	40.3
111.04401	53.7
111.05145	3.1
112.04761	2.8
112.98685	8.0
113.02276	1.9
115.00270	6.9
120.85162	1.6
124.98702	26.2
125.02303	1.8
129.01840	4.8
129.05453	4.8
137.02368	2.6
142.99768	41.8
145.01366	2.2
154.99770	4.7
155.03400	27.9
173.00859	11.0
173.04495	21.8
174.04695	1.7
174.07611	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	100.0
59.03196	1.6
65.00182	0.5
68.99693	0.7
69.03343	1.0
69.18079	0.8
69.18484	3.0
70.02824	0.6
75.32729	0.3
79.97868	0.4
81.03358	0.5
83.04871	0.6
95.01273	0.6
97.02843	1.4
107.04948	0.7
108.04453	0.4
109.02378	0.5
123.04440	0.6
124.01576	0.4
124.04774	0.5
125.02339	12.1
125.05971	1.0
125.09617	0.5
125.99519	0.6
147.89851	0.4
151.03883	0.4
151.11211	0.8
153.01421	1.8
153.98985	0.7
168.03896	0.4
168.13820	6.9
169.01329	5.3
169.05035	1.1
169.08696	0.7
169.12311	0.8
169.14162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
64.30679	0.7
82.75233	0.7
123.08018	1.0
125.09630	3.4
127.11190	9.0
153.09157	1.1
171.10182	100.0
172.10518	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	171.1018
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01751	0.3
65.00188	0.7
68.99681	0.3
69.21631	2.4
95.75766	0.3
97.06431	0.3
99.00758	1.1
99.08009	0.6
107.91721	0.3
109.02808	0.3
116.69004	0.2
123.08066	0.4
125.09591	3.0
127.07549	0.5
127.11179	7.0
128.11502	0.3
128.51138	0.3
130.08662	0.3
144.04593	0.3
153.09109	1.4
158.33191	0.2
171.01936	0.7
171.10182	100.0
172.10530	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	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28754	0.8
55.01753	1.9
57.03327	3.3
59.01252	4.6
60.99174	2.4
63.23668	0.6
65.03837	0.9
67.01762	25.3
68.99683	2.2
69.03004	0.8
69.03331	7.7
70.43513	2.1
70.43866	0.8
71.01254	33.5
72.01595	1.1
72.99185	4.6
73.02441	1.0
73.02821	11.3
75.00742	2.1
81.03330	2.7
83.01251	3.2
83.04911	5.1
85.02820	4.0
85.99969	2.3
87.00748	3.1
89.02318	1.3
93.03336	100.0
94.03674	5.3
95.01256	3.9
96.99150	0.8
97.02831	2.0
99.00761	16.2
99.04401	2.8
100.98692	2.5
101.02332	2.7
103.81298	0.9
109.02854	1.6
111.00773	4.7
111.04403	14.0
111.08038	4.0
112.98706	2.1
113.02328	5.8
115.00244	3.4
115.03915	0.9
123.00779	3.9
124.98705	6.3
129.01811	1.7
137.02312	2.8
140.01106	0.7
142.99768	12.4
143.03456	0.7
145.02864	0.8
146.02316	0.7
153.01964	0.8
154.99750	1.5
155.03384	2.7
157.01335	0.8
173.00966	3.3
173.02246	1.6
173.04500	15.6
173.06010	1.2
173.08122	1.2
174.01453	0.8
174.04889	1.0
182.62967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	21.6
59.01254	4.4
62.41722	3.1
65.00197	8.6
66.03361	3.3
68.99674	3.4
69.03336	5.2
69.96796	2.5
70.79981	7.5
71.01254	6.3
73.02856	2.9
75.00748	14.8
77.03864	3.4
80.02531	7.9
81.03332	17.9
81.31943	2.4
83.04906	38.1
87.00756	5.7
89.02292	2.6
91.01746	5.7
91.50636	2.4
92.99707	8.5
93.03338	20.5
95.04893	27.3
97.06474	59.1
105.01829	2.9
107.04935	4.3
108.02065	4.8
108.04365	3.0
109.02849	9.8
109.06475	8.1
111.08039	67.5
119.04881	3.6
121.02847	91.8
121.06493	7.1
122.02394	4.4
122.03692	6.4
122.06024	3.8
123.00817	4.5
123.04427	8.7
123.08143	2.7
130.71667	2.6
136.01483	3.1
137.02309	15.0
137.05972	4.3
138.05513	8.1
138.21730	2.7
147.04416	7.5
147.11787	3.0
149.00905	3.8
150.03131	41.0
151.00285	5.2
151.03577	3.0
163.11176	15.6
165.01837	24.9
165.04106	6.0
165.05493	27.9
165.09079	3.2
165.12769	100.0
166.05026	8.8
166.13089	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	161.0236
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
54.60995	0.7
55.01762	6.5
57.03325	16.1
58.00469	5.6
58.19440	0.7
59.01252	72.1
60.01582	1.2
65.00181	1.8
65.01318	1.4
65.03822	1.4
65.11846	0.9
65.99729	1.1
68.99680	1.1
69.03332	13.9
69.71970	4.9
71.01254	64.5
72.01601	1.2
72.99178	11.4
73.02819	40.1
74.03180	1.1
75.00739	3.0
77.03844	1.0
81.03336	11.5
83.01254	28.2
83.45668	0.8
84.02032	2.6
85.02825	100.0
85.06474	1.0
86.03163	3.0
87.00748	17.5
87.04395	1.4
88.01065	1.0
89.02316	16.8
89.03842	19.1
90.02692	1.1
90.04179	1.7
91.01775	1.7
93.00813	0.9
95.01254	1.7
95.04920	1.2
97.02830	13.5
99.00753	8.7
99.04388	2.3
101.02334	10.6
105.03349	3.1
108.41302	0.8
113.02348	4.5
115.03875	1.0
117.03335	2.5
118.02911	0.8
123.04403	4.2
125.02359	8.8
129.01845	1.2
131.03395	29.2
132.02097	9.3
133.02879	7.9
134.03410	2.3
143.01299	0.9
143.03455	1.9
159.02905	2.2
160.01587	22.3
161.02341	45.0
161.04460	58.2
161.05801	2.0
162.02948	3.9
162.04793	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	155.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	14.7
57.03323	22.2
57.74011	1.8
58.02851	2.0
59.01249	11.2
60.94455	1.7
65.00197	2.4
66.03359	4.1
67.01765	9.1
67.58254	1.8
68.02415	11.1
68.99678	4.8
69.03314	4.4
71.01257	9.0
71.52184	2.5
71.92500	1.8
72.71392	1.7
74.10760	2.3
74.43217	1.6
76.53908	1.6
81.03310	6.0
83.01252	15.7
83.04875	9.7
84.02049	3.2
84.04413	6.0
85.02818	5.4
92.04929	2.1
93.03332	24.0
94.06509	8.9
95.01262	48.8
96.04434	2.4
96.95904	3.0
97.02827	3.5
97.99965	5.6
99.00761	4.1
109.02844	4.1
109.99970	2.8
111.00766	22.2
111.01883	5.8
111.04398	14.6
111.08024	2.9
112.01554	38.1
112.03936	2.3
112.07571	2.4
113.02383	3.9
114.05508	13.9
123.00776	51.0
124.01595	3.5
125.02345	3.4
127.00269	20.5
127.03888	2.2
137.02376	6.0
137.99463	2.8
138.05498	7.7
139.00267	4.2
139.97406	3.8
140.01059	100.0
141.01413	5.7
153.62355	1.8
154.99799	22.2
155.03436	18.8
155.04544	2.9
155.07028	6.0
155.08200	2.8
155.10686	8.4
156.06549	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	161.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03325	5.9
58.00465	2.1
59.01254	33.8
60.01575	0.6
63.02272	0.6
65.00190	2.2
65.01305	1.3
65.03826	2.0
65.99728	0.5
69.03330	5.4
71.01256	28.3
71.41222	0.9
71.77369	0.5
72.99182	3.9
73.02822	14.0
75.00742	1.3
76.09995	0.5
77.03092	0.5
77.03838	1.5
79.54893	0.5
81.03321	4.3
83.01254	11.1
84.02068	1.1
85.02824	41.7
86.03164	1.5
87.00765	5.6
89.02336	6.8
89.03845	38.2
89.76482	0.5
90.04179	2.7
91.01779	1.7
91.02902	0.9
95.01280	1.2
95.04887	2.5
97.02832	5.9
99.00749	4.3
99.04409	1.2
101.02322	4.4
105.03340	5.8
113.02314	2.2
115.01801	0.7
115.03904	0.6
117.03350	2.1
118.21570	0.5
119.01289	0.8
119.04800	0.5
120.01891	0.5
121.02793	1.0
123.04406	7.9
124.04726	0.8
125.02339	3.4
129.01837	1.4
131.03397	15.5
132.02069	14.0
132.03668	1.0
133.02878	13.0
134.03415	1.8
143.01257	1.4
143.03423	0.7
149.02367	1.6
159.02975	1.0
160.01575	41.5
160.89156	0.6
161.02359	100.0
161.04388	24.2
162.02751	8.8
162.04828	1.6
162.06619	0.7
167.43109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01758	4.7
57.03302	0.5
57.66100	0.4
58.85497	0.4
59.01253	6.7
62.31856	0.3
71.01256	5.7
72.99180	4.9
73.02821	0.9
73.82193	0.4
75.00746	100.0
76.01088	2.3
81.04600	0.3
83.01225	0.4
85.02795	0.8
87.00752	16.2
87.74479	0.3
88.75346	0.3
89.02312	2.9
93.03334	0.4
93.70155	0.3
99.00762	1.9
101.02316	1.6
105.01827	10.0
106.02168	0.4
108.04478	0.4
115.39091	0.3
115.55903	0.3
117.01836	1.6
121.02851	0.6
122.03539	0.5
123.04415	0.9
129.00882	0.6
129.01826	9.5
135.02951	0.5
137.02313	0.4
138.05513	0.7
146.12723	0.3
147.02895	3.2
150.03163	1.1
165.03964	28.9
166.04242	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96806	0.5
57.14371	0.5
58.41706	0.6
59.01246	0.7
65.01315	1.7
65.99700	0.6
67.32737	0.6
69.59565	0.9
69.59977	2.6
75.00734	0.8
79.05422	1.2
91.05412	4.8
91.78172	0.5
95.04921	2.3
101.03839	4.0
103.05434	1.1
105.03377	2.7
105.04455	0.7
108.02005	0.6
117.03329	0.8
119.04060	1.2
119.04924	23.4
120.05273	2.1
121.04031	0.6
125.89359	0.5
129.03365	20.2
130.04187	7.4
145.02824	1.7
146.03653	5.8
147.04425	100.0
148.04773	9.1
166.70367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	8.4
57.03313	22.5
57.58857	6.4
59.01252	78.4
69.37350	13.5
69.37767	25.7
71.01253	100.0
71.04525	9.1
71.04893	98.3
72.99185	39.0
75.00741	46.6
85.02837	38.6
87.00761	37.7
89.02323	7.7
91.20566	4.7
93.77291	6.1
98.20577	7.9
99.00744	16.3
101.05946	22.4
103.03922	10.2
111.00755	6.5
115.00291	10.0
119.04910	12.5
120.04400	4.9
129.01855	14.0
147.01865	9.4
147.02914	14.9
147.04407	40.9
147.06519	49.0
155.07607	5.3
168.85379	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51302	0.5
55.39345	0.6
59.01245	1.4
65.01321	2.2
65.03825	0.7
65.99723	1.1
70.40945	2.2
70.94979	0.5
78.00489	0.5
79.05406	0.6
91.05421	3.7
91.05927	0.6
95.04919	1.4
101.03870	3.9
103.05426	1.8
105.03333	2.3
105.04472	0.7
106.04037	1.2
117.03368	0.8
119.04920	26.7
120.05316	1.3
129.03360	23.6
130.04202	7.4
145.02873	2.3
146.03653	6.7
147.04419	100.0
148.04788	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00245	0.7
54.72715	0.7
59.01248	2.4
64.01772	0.6
65.01322	3.4
65.99712	1.6
71.01246	2.0
75.00764	2.2
79.02907	1.5
91.02903	0.7
91.05400	4.9
95.04897	2.4
98.20573	1.8
101.03863	3.1
103.05421	1.5
105.03334	2.7
105.04486	1.3
106.03983	2.0
108.02084	0.7
119.04916	18.0
120.01895	0.9
120.05325	1.0
121.02901	1.0
121.03937	1.1
129.03384	7.7
130.04196	4.1
133.02838	2.8
145.02888	1.6
146.03639	16.2
147.01952	2.0
147.04424	100.0
148.05025	13.8
151.22380	0.7
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
58.51651	0.9
59.01237	4.5
65.01318	3.9
65.03854	1.8
67.26647	0.9
68.99676	2.3
69.24415	9.0
69.24747	1.6
71.01256	2.4
75.00762	1.6
79.05415	3.1
79.05885	0.8
84.02359	1.0
84.99153	1.2
87.30598	1.1
91.05414	12.8
92.02409	1.0
92.05742	1.0
93.03349	1.1
95.04909	7.9
97.01801	0.9
101.03853	3.7
103.05428	4.1
105.03339	8.3
105.04465	1.2
106.03986	2.1
108.02064	2.3
110.98711	0.9
111.61501	1.0
119.04917	30.4
120.01932	0.9
120.05280	2.6
121.03979	1.9
129.03366	13.4
130.04094	4.3
133.02791	1.3
140.93784	0.9
145.02890	2.2
146.03642	10.5
147.04424	100.0
148.04875	12.6
151.45340	0.9
166.72980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00539	3.7
57.03311	4.9
59.01237	4.7
67.35228	3.5
67.38060	3.2
71.01258	19.7
71.09726	7.6
73.02814	5.5
75.39111	3.4
87.00755	5.1
96.04432	5.8
98.05972	3.8
101.02339	10.6
115.00257	10.6
116.93614	2.9
126.05514	7.9
127.00213	3.0
129.69495	2.7
133.30959	2.9
133.94096	3.2
138.96828	3.7
142.05013	7.7
142.46115	3.3
144.06570	100.0
145.06853	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	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	2.2
62.88942	1.0
71.01249	7.5
71.11079	2.3
73.48803	1.1
83.04877	2.9
98.05991	3.2
99.00761	1.5
100.07489	1.6
101.05970	1.6
118.03989	3.7
126.05494	8.0
142.04990	9.8
143.86388	4.0
144.04451	5.1
144.06566	100.0
145.03961	1.6
145.05078	2.6
145.06898	7.1
161.87509	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	21.5
59.01253	16.0
66.90772	1.2
70.87254	2.5
71.01257	16.3
71.04897	19.7
72.05216	1.3
72.99178	6.9
73.02811	2.6
73.06448	1.1
75.00743	4.6
83.04865	1.3
84.14240	1.1
85.02824	67.5
86.03163	3.4
87.00754	100.0
87.31557	1.1
88.01094	3.2
89.02331	1.5
99.00757	1.2
101.02333	4.5
101.05956	12.4
103.03875	12.6
112.73506	1.0
115.00284	5.9
119.04918	1.4
129.01843	14.9
129.03320	1.4
146.03595	2.1
147.02904	19.6
147.04410	7.4
147.06529	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00184	9.1
59.01250	8.7
67.01769	1.5
68.99672	4.5
69.03300	2.1
69.77379	8.2
71.01256	37.7
72.99196	1.7
73.02802	1.8
74.73861	1.4
80.99674	3.0
83.01255	2.5
85.02817	4.3
87.00751	7.0
87.04395	1.9
89.22211	1.9
95.92271	1.5
96.99184	15.9
98.05988	3.2
99.04382	2.5
102.05479	1.7
104.72486	1.8
106.55223	1.5
111.00752	1.8
112.98687	18.9
115.00257	3.9
124.98701	43.7
125.99062	3.1
126.05523	8.0
140.98198	4.9
142.04996	7.2
142.98645	2.8
142.99763	48.3
143.03389	3.2
143.10965	1.7
144.00125	4.0
144.04492	4.2
144.06563	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	144.0446
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.80830	0.7
54.04032	0.7
58.89497	0.8
59.01252	0.9
65.99691	0.8
71.01250	5.4
71.10373	1.6
72.99183	0.8
73.02844	1.1
83.04890	1.4
85.02850	0.9
96.04440	0.9
98.06003	1.7
99.04427	1.1
101.05943	1.6
102.03387	1.0
107.87993	1.0
110.16225	0.7
126.05519	3.8
142.04985	4.0
144.04457	100.0
144.06543	54.7
145.02916	1.3
145.04886	9.5
145.06879	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	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
59.01258	6.2
68.55673	1.3
70.03999	4.8
71.01253	26.3
72.01609	2.2
72.99174	3.2
73.02808	1.8
76.33533	1.2
81.03368	1.2
82.02831	1.5
83.01264	4.7
83.04887	1.6
87.00406	0.9
87.00755	11.1
96.04429	1.7
98.05999	2.4
99.00762	3.2
99.04410	1.3
101.02299	2.9
101.66960	1.2
102.05460	1.4
112.98682	1.7
115.00269	9.8
117.40569	1.1
125.99079	1.9
126.05503	9.6
127.00259	5.2
142.04971	9.4
144.00117	2.3
144.04556	14.4
144.06567	100.0
145.01352	5.0
145.04936	2.3
145.06897	5.1
160.19785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03316	1.4
59.01256	12.2
65.01318	1.8
65.99709	1.6
69.03340	1.0
71.01257	20.2
71.07105	1.4
72.01594	1.1
72.99179	15.1
73.02822	9.4
75.00747	100.0
76.01080	1.7
81.03330	4.7
85.02823	37.2
86.03168	1.9
87.00752	3.2
89.02317	7.0
91.05427	1.0
92.04934	2.4
93.03341	5.6
94.02833	0.9
95.04903	0.9
95.54167	0.7
100.98983	0.7
101.02332	3.7
103.03896	2.3
106.04040	3.9
107.04928	6.6
108.02058	5.4
108.04465	1.5
108.05201	0.8
117.01795	1.5
117.03325	1.0
117.05490	1.1
130.04126	0.7
134.03654	9.3
135.02884	20.7
135.04414	65.7
135.06508	2.1
135.97005	1.5
136.01535	2.6
136.03896	2.8
136.04787	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	137.0236
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
51.09477	0.2
51.46522	0.2
64.18035	0.2
65.01279	0.2
65.03831	1.2
65.19727	0.2
67.02866	0.4
68.01300	0.2
69.21358	1.5
69.21780	0.5
78.68616	0.2
91.01730	0.3
93.03339	100.0
94.03676	6.5
94.53639	0.2
98.19795	0.3
107.93387	0.2
108.02064	3.3
109.02827	0.4
125.60229	0.2
128.89484	0.2
137.02351	14.3
138.01865	4.0
138.02737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01754	0.3
55.82148	0.2
65.44149	0.2
67.01768	0.3
68.01265	0.4
69.03320	0.2
69.93681	0.8
83.01257	0.2
94.03668	0.9
94.33847	0.2
95.01234	0.5
97.03937	0.2
108.02058	74.5
109.02394	4.7
110.02368	0.2
111.00763	1.8
111.04429	0.3
121.19147	0.2
124.01571	0.2
134.74730	0.2
137.24522	0.2
138.01874	100.0
139.00281	0.8
139.02225	6.6
139.03918	0.7
139.04936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31599	0.9
53.00182	4.1
55.01775	1.6
59.01257	4.9
68.99692	2.1
69.03309	2.4
69.82414	4.1
71.00892	2.0
71.01254	20.3
72.99214	1.1
73.02817	2.2
75.31799	1.1
76.91754	1.1
80.99689	1.3
83.01241	1.8
85.02811	4.2
85.82458	1.0
87.00755	3.9
87.04395	1.6
95.52488	1.0
96.04429	1.7
96.99192	6.8
97.02803	1.8
98.06021	2.6
107.07021	1.0
112.98708	6.4
115.00262	2.9
124.98703	22.2
125.02351	3.3
125.98997	1.9
126.05512	6.0
140.98169	2.2
142.05002	7.6
142.99765	22.2
143.03415	2.8
143.10658	1.5
144.00073	1.4
144.04457	4.0
144.06566	100.0
144.10213	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.1
59.01233	1.9
70.94039	2.6
71.01257	75.1
72.01587	2.7
72.99182	18.2
74.90089	0.9
75.79787	1.0
87.00749	3.4
87.04382	4.1
89.02320	9.3
107.03500	2.3
115.00260	100.0
116.00593	4.4
124.13042	1.0
127.10136	0.9
133.01332	23.4
133.04965	5.1
133.06474	2.3
134.04575	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	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	2.1
56.81781	1.4
57.03324	10.6
59.01272	2.3
62.92226	1.9
64.01799	3.2
65.00211	2.5
65.01321	29.9
65.99726	8.1
67.02892	1.9
69.03335	1.8
71.01255	36.8
71.53951	1.7
72.99201	8.8
77.03855	10.9
79.02919	2.3
81.71782	1.6
85.02844	4.1
87.00756	4.0
87.04389	23.1
89.02347	2.4
89.03857	5.2
90.00873	2.7
91.02901	11.9
92.01302	5.5
92.02412	9.8
92.92458	1.6
93.00772	1.7
95.04899	21.8
101.01574	1.8
104.02506	2.2
105.03351	48.6
105.04466	3.3
106.04039	17.6
107.02399	16.0
107.03526	16.7
115.00274	25.0
121.98449	1.8
123.04452	4.7
129.46095	1.9
132.02072	21.1
133.01332	4.1
133.02873	100.0
133.03964	10.8
133.04922	24.5
134.03545	54.8
134.04646	44.0
134.05522	3.2
134.07082	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	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
59.01248	1.3
63.57359	0.3
65.01324	2.7
67.31133	0.4
68.02422	0.6
69.45151	1.1
69.45573	2.2
71.01252	3.2
72.01607	0.5
72.99180	1.1
73.02806	1.4
75.00749	3.6
80.02402	0.5
81.03328	0.8
85.02832	5.6
85.03301	0.7
89.02306	0.4
90.84901	0.4
92.02419	9.2
93.03342	1.0
101.02327	0.8
106.04020	1.1
107.03516	40.2
107.04904	2.4
108.02030	0.5
108.03196	0.6
108.03848	1.4
116.00597	0.5
123.04391	0.4
134.04614	100.0
135.02855	1.0
135.04285	12.3
135.06480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	45.1
57.01571	3.6
57.03323	42.9
59.01236	8.4
59.79969	3.1
67.01759	100.0
68.99693	54.0
71.01243	28.6
72.99170	18.4
73.02817	11.1
73.33984	3.8
83.01262	10.0
83.04926	4.4
83.76669	4.0
85.02826	29.5
85.06505	3.6
87.00764	8.5
88.03932	6.0
95.06946	3.4
96.99185	7.1
99.00772	6.2
101.02332	7.6
102.06182	3.6
111.00765	7.0
112.56422	3.6
119.43016	3.5
129.01831	49.7
129.05460	5.9
130.04034	24.8
130.04903	6.2
130.08649	18.8
130.75244	3.9
146.97295	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72338	1.3
51.05553	1.2
55.01760	3.4
57.03324	20.8
58.02829	1.3
59.01245	9.0
65.01318	2.2
69.03318	4.4
70.01756	6.3
71.01256	63.8
72.99172	5.5
73.02821	59.8
75.00756	3.1
85.02825	100.0
85.06467	5.0
86.05996	2.0
86.70224	1.4
87.00755	2.9
87.04392	23.7
88.03921	4.2
89.01337	1.4
101.02319	3.2
103.03899	1.5
109.68263	1.3
112.03928	1.2
113.02299	7.2
129.01848	1.6
130.03999	10.5
130.04922	1.8
130.08630	82.4
131.03429	41.4
131.04413	2.8
131.07051	2.6
131.08987	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	1199.585
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	1.8
84.02054	0.1
84.81258	0.1
85.02821	8.7
85.52194	0.1
85.99967	0.7
86.03175	0.1
87.00751	3.6
87.04382	0.7
87.06438	0.1
89.02316	0.9
93.03323	0.1
95.01261	1.6
97.02826	3.2
98.20529	0.1
99.00754	7.8
99.04418	0.3
100.01124	0.1
101.02320	3.4
103.03883	0.5
108.02053	0.7
109.02859	0.3
111.00747	0.3
112.01541	0.3
113.02328	5.7
114.02637	0.1
115.00246	0.2
115.03898	1.1
119.03393	0.2
119.04933	0.1
121.02838	0.2
123.00806	0.2
124.01587	0.1
125.02335	13.3
126.02664	0.3
127.03909	0.2
129.01820	0.2
131.03394	3.2
132.02087	0.2
133.02840	0.1
134.03600	0.3
135.04399	0.2
137.02350	0.2
139.00246	0.3
139.03828	0.1
143.02237	0.1
143.03401	2.8
143.04568	0.1
145.04965	0.4
147.04424	0.2
148.05081	0.1
149.02342	0.1
149.05972	0.1
150.03120	0.1
151.03900	0.1
152.01059	0.7
153.01846	0.2
157.01335	0.6
159.02884	0.3
159.04333	0.1
160.01573	0.6
161.02446	0.4
161.04469	1.4
163.03911	0.1
163.06030	0.5
172.05223	0.1
173.05991	0.1
175.03922	0.5
179.03322	0.1
187.07442	0.1
191.03499	0.1
191.05571	0.1
193.05005	0.2
197.05922	0.1
199.03925	0.1
199.07593	0.1
201.05447	0.1
201.09169	0.2
205.07100	1.2
206.07608	0.1
214.06386	0.1
215.07060	0.1
215.11035	0.1
223.13382	0.1
224.08002	0.1
225.09224	0.2
229.08704	0.1
243.10187	0.2
245.06462	0.1
247.08208	0.2
255.02760	0.1
268.03717	0.2
283.06104	0.3
284.03293	0.1
285.03735	0.1
287.07788	0.6
299.05511	0.2
313.03506	0.2
328.06018	0.1
343.08133	0.3
380.49338	0.1
385.16690	0.1
437.34329	0.3
443.15298	0.1
447.16422	0.1
455.35376	0.5
461.18359	0.5
481.36877	0.2
525.38904	0.1
551.40875	0.1
569.38831	0.1
615.38733	0.1
667.16711	2.0
668.16827	0.4
693.27563	0.9
693.75555	0.1
694.28369	0.2
703.43616	0.1
791.45569	0.1
849.49957	0.3
885.47229	0.1
893.49323	0.1
903.47534	0.2
911.50043	2.0
912.50507	0.4
937.51593	0.7
938.52142	0.1
941.47351	0.2
942.47913	0.2
1037.53540	0.3
1053.53284	0.1
1155.45093	0.1
1181.33899	0.1
1181.58142	1.3
1182.57019	0.2
1199.58435	100.0
1200.58813	21.4
1201.59985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50272	1.3
53.74385	1.4
59.01256	5.2
60.02161	1.3
65.01324	1.3
69.03334	1.8
70.71306	2.7
70.71667	2.9
71.01256	100.0
71.04887	10.2
72.01598	1.8
73.03947	32.4
74.02360	3.2
87.00771	5.2
89.01348	2.9
106.15120	1.6
115.00269	8.0
115.03904	9.6
115.05093	2.3
115.05862	1.6
116.02473	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
59.01262	0.5
69.10020	0.3
69.59767	1.0
69.60180	0.9
71.01247	0.9
73.02820	100.0
74.03152	3.5
99.00100	0.4
99.00752	7.7
99.92442	0.4
116.92714	0.7
117.01821	11.2
118.02139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.589
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	1.9
84.02045	0.1
85.02824	8.6
85.99972	0.7
86.03172	0.1
86.58336	0.1
87.00753	3.9
87.04388	1.0
89.02316	1.0
95.01258	1.9
95.01809	0.1
97.02826	3.7
99.00758	8.1
99.04384	0.3
100.01094	0.2
101.02319	3.2
102.02709	0.1
103.03890	0.5
106.57927	0.1
107.01276	0.1
109.02827	0.3
111.00753	0.3
112.01532	0.2
112.56276	0.1
113.02332	5.8
114.02666	0.2
115.00276	0.2
115.03899	1.0
119.03374	0.2
119.04855	0.1
121.02856	0.1
123.00755	0.1
123.04380	0.1
124.01559	0.2
125.02336	11.6
126.02672	0.3
127.03912	0.3
129.01836	0.3
131.03392	3.2
134.03662	0.1
137.02365	0.2
139.00282	0.3
141.01837	0.1
142.02625	0.1
143.03400	2.7
145.02904	0.1
145.04971	0.4
146.03612	0.1
147.04420	0.3
149.05981	0.1
156.05614	0.1
157.01375	0.4
159.02902	0.3
159.04419	0.3
161.04468	1.0
163.06033	0.7
171.04457	0.2
171.08017	0.2
172.05197	0.6
173.02286	0.1
173.06007	0.3
174.03128	0.2
174.06738	0.1
175.04024	0.2
175.07578	0.2
185.06010	0.6
186.06799	0.4
187.03954	0.2
187.07607	0.6
189.09221	0.1
191.03476	0.2
193.05019	0.1
196.05151	0.1
197.06024	0.2
199.03929	0.1
199.07523	0.4
199.13438	0.1
200.04703	0.2
200.08371	0.2
201.05489	0.3
201.09143	1.1
202.06308	0.3
205.07130	1.3
209.11795	0.4
211.07695	0.1
211.13324	0.3
212.04846	0.1
213.05539	0.2
214.06305	0.4
215.07103	0.6
215.10754	0.2
218.05739	0.1
219.02756	0.1
225.09157	0.2
227.10669	0.1
228.07736	0.1
229.08670	0.5
231.06566	0.1
232.24034	0.1
239.07063	0.1
243.10196	0.7
244.10664	0.1
245.08179	0.3
247.08205	0.1
267.06726	0.1
269.04520	0.1
269.08295	0.1
272.72418	0.1
283.13373	0.1
285.03958	0.1
287.07745	0.5
287.16385	0.1
297.14969	0.2
313.03503	0.2
313.07071	0.1
314.08188	0.1
315.16019	0.1
332.08994	0.1
339.16312	0.1
343.08203	0.3
356.16022	0.1
358.79312	0.1
365.11435	0.1
395.12430	0.1
397.13715	0.1
429.15408	0.2
439.35791	0.5
465.37540	0.6
535.41583	0.2
565.38806	0.4
566.38367	0.1
567.40314	0.2
625.40985	0.1
681.43982	0.2
775.46399	0.1
801.51520	0.1
833.50854	0.2
869.47888	0.1
887.48114	0.2
895.51501	0.1
904.51672	0.1
921.52264	0.6
922.53259	0.2
1021.53088	0.4
1107.49426	0.3
1148.51331	0.1
1151.50854	0.1
1165.58325	1.7
1166.59265	0.4
1183.58911	100.0
1184.59302	25.7
1185.59180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.5274
Annotation	CHEBI:70163
Peak:m/z	Relative Intensity
79.05396	0.4
83.01269	0.7
85.02793	0.7
87.00757	18.1
89.02320	1.7
91.05429	1.8
93.03339	2.6
95.01244	0.6
95.04912	1.3
97.02827	0.5
99.92443	1.1
101.02316	3.0
103.05408	0.7
105.03357	1.8
108.02049	1.4
113.02301	1.4
116.92743	4.6
119.03427	0.8
119.04934	3.1
121.02847	10.1
122.03652	4.6
123.04408	1.7
124.01512	0.8
125.02333	0.8
129.03378	0.5
130.99759	5.6
133.02827	1.0
134.47185	0.4
135.04353	0.5
137.02318	3.2
139.03897	1.0
145.02838	2.8
146.03601	2.4
147.04422	15.8
148.05200	2.7
149.02351	4.4
149.05966	1.2
150.03113	1.5
151.03900	0.4
154.02614	0.6
159.04442	0.5
163.03874	2.2
164.04688	1.3
165.05507	1.0
173.02281	0.5
174.03152	0.6
175.07539	0.4
183.13808	1.2
187.07602	0.4
191.03426	1.9
192.04204	1.3
193.04961	0.6
193.12221	0.6
195.13811	1.4
201.09126	0.5
209.11749	0.5
211.13342	12.3
212.13751	0.7
213.08774	0.4
217.01425	2.7
218.02147	4.2
219.02809	0.8
221.06497	0.7
223.13348	0.5
254.04329	2.7
255.05072	0.4
269.40524	0.3
275.20117	0.6
287.16479	0.9
293.21304	5.9
294.21442	0.4
297.15002	0.8
298.14914	0.5
313.18106	0.6
315.16034	1.6
323.16458	1.0
338.94284	0.4
341.17639	0.6
351.10724	0.5
381.09879	0.6
397.13458	0.8
415.14609	0.7
540.96655	0.4
646.56915	0.4
861.56641	0.4
912.34576	0.5
926.27332	0.5
971.60284	0.4
1049.51184	0.5
1077.52856	1.5
1079.50818	3.2
1103.51294	1.6
1121.52344	7.7
1122.51331	2.4
1139.52795	100.0
1140.52991	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	48.5
79.29137	0.4
87.00748	1.1
88.88712	0.4
91.05412	0.8
91.52408	0.4
93.03328	0.7
95.04906	0.6
96.96839	3.5
97.36585	0.4
101.03880	0.5
105.03371	1.0
108.02068	0.6
115.23808	0.4
119.04920	1.2
121.02871	1.0
137.02380	0.5
137.73416	0.4
145.02823	1.5
146.03674	0.5
147.04420	5.9
148.05164	1.0
149.06046	0.4
150.97853	1.0
152.99489	55.0
171.00549	16.2
191.03441	0.5
192.88062	0.4
211.13377	1.2
217.01376	1.6
218.02164	2.3
227.03149	3.8
244.51253	0.4
245.04286	69.0
246.04599	1.1
253.21698	34.5
254.22083	2.1
277.21722	1.0
313.88516	0.4
445.24069	0.5
481.25708	100.0
482.26071	8.1
626.55750	0.4
688.10138	0.4
795.22534	0.8
1061.52942	1.0
1087.50476	0.7
1105.52637	5.5
1106.52661	1.2
1123.50000	25.6
1124.49927	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	1132.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03310	0.2
83.01252	0.7
85.02826	6.0
85.99952	0.6
87.00746	3.0
87.04385	0.9
89.02290	0.8
95.01266	10.1
97.02840	1.6
99.00755	6.0
99.04393	0.3
101.02328	1.2
103.03867	0.3
111.00774	0.4
112.01561	0.3
113.02332	3.7
115.00287	0.2
115.03880	0.9
121.80919	0.2
123.00771	13.5
124.01089	0.3
125.02326	0.6
131.03397	2.8
137.02335	0.2
140.01093	0.4
141.01816	0.6
143.03400	2.1
145.04939	0.5
145.43147	0.2
146.03743	0.2
147.04413	0.5
152.78578	0.2
155.03435	0.2
157.01315	0.5
158.79738	0.2
161.02284	0.2
163.06047	0.4
199.07596	0.2
201.09024	0.2
205.07104	1.1
213.14520	0.2
233.11674	0.2
313.03647	0.4
327.12643	0.2
343.08282	0.7
439.35675	0.8
509.40182	0.3
653.80029	0.2
690.21173	0.2
829.73022	0.2
829.88397	0.2
895.50464	0.6
998.86597	0.2
1019.52258	1.9
1020.53259	0.4
1025.57751	1.2
1026.57385	0.3
1033.54248	0.5
1051.54785	100.0
1052.55115	20.0
1069.55151	1.0
1114.43689	0.3
1132.53955	0.2
1133.48193	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	1133.7341
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01265	0.4
85.02823	4.0
87.00755	1.5
89.02316	2.6
93.23543	0.3
95.01243	0.5
96.95876	0.3
97.02821	0.7
97.06486	1.3
97.10276	0.3
97.73679	0.2
99.00794	0.4
99.92483	0.4
101.02323	3.8
111.08038	0.4
113.02316	1.9
114.17117	0.3
116.92720	1.6
119.03395	0.9
121.10120	1.0
125.02396	0.4
125.09619	0.6
127.11166	0.7
137.09604	1.1
143.03429	0.7
145.04959	1.2
147.04468	0.3
155.10721	0.5
161.04501	2.6
167.10672	0.3
171.10182	15.7
172.10504	0.4
173.06041	0.3
177.12761	0.6
179.05548	0.7
179.14314	0.5
183.13820	1.6
185.11798	0.6
193.12276	0.3
195.13834	7.9
196.14410	0.5
201.11293	0.7
205.12268	0.6
205.16109	0.3
209.11781	1.0
211.13336	7.1
212.13757	0.6
221.11693	1.4
223.13350	4.8
228.13696	0.8
229.14403	4.5
230.14630	0.3
231.21243	0.5
235.08199	12.9
236.08482	0.6
239.12878	1.2
247.20592	0.3
253.09265	35.9
254.09669	1.0
256.13120	0.9
275.20166	7.6
276.20529	0.6
291.19708	2.4
293.21225	100.0
294.21552	5.7
309.20703	4.0
310.21207	0.4
327.21759	56.1
328.22128	4.0
432.20212	0.3
476.13022	0.3
492.22308	0.9
511.29587	0.3
529.30139	8.3
530.30524	0.7
545.29718	4.3
563.30682	5.7
564.31274	0.8
603.42676	5.3
604.43335	0.8
839.51501	4.1
840.52185	0.6
1133.52649	0.8
1134.55945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	0.6
83.01265	0.7
85.02821	1.1
87.00230	0.7
87.00754	11.3
89.02309	2.2
93.03324	1.1
95.07664	0.5
97.02824	0.6
101.02328	3.2
105.03291	0.5
107.04909	0.6
108.02013	0.9
109.02831	1.6
113.02309	1.1
115.05450	0.8
119.04893	1.7
121.02816	1.5
121.06499	0.7
122.03676	1.0
123.04401	0.8
125.09601	1.5
129.01784	0.7
129.03329	0.9
130.04163	0.6
130.99727	1.1
131.04883	0.8
133.02846	0.5
133.06456	0.6
134.03639	0.7
135.04402	2.1
137.02376	0.6
139.04045	0.4
143.04929	4.0
145.02853	2.6
145.03833	0.5
145.06491	0.6
146.03636	8.9
147.04439	10.0
148.05151	1.9
149.02328	0.7
149.05986	18.7
150.06317	0.8
152.99396	0.7
157.06462	1.1
158.03664	0.7
158.26373	0.4
159.04431	8.6
159.08057	0.6
160.05197	2.6
161.02321	1.9
161.05988	14.8
162.03220	2.4
163.03923	7.2
164.04597	0.6
171.04405	5.6
172.05205	3.9
173.02327	1.6
173.06012	3.9
174.03139	10.4
175.03912	4.2
175.07526	2.3
176.04680	1.1
183.04414	1.0
184.05176	1.1
185.06021	9.4
185.11771	3.7
186.06729	2.8
187.03943	9.0
187.07549	11.6
188.04721	12.6
189.05496	20.4
190.06046	1.8
193.04985	6.6
196.05194	0.5
197.06084	1.0
198.06932	0.8
199.03841	0.7
199.07500	0.9
200.04745	2.1
201.05499	6.3
202.06131	1.2
203.07076	11.1
204.04346	0.6
205.05037	0.7
209.06071	0.6
209.11819	0.9
210.06798	1.0
211.04001	1.3
211.07649	0.6
211.13327	1.5
213.05542	2.7
214.06410	2.9
215.03462	0.9
217.04933	0.5
218.02188	0.8
218.05891	0.6
219.02667	0.5
221.06580	1.3
229.05005	6.6
229.74623	0.5
233.04630	0.9
237.03983	6.3
240.04219	0.6
247.06068	1.0
252.02718	0.5
269.11786	0.7
271.13370	1.7
273.04041	5.5
277.21689	4.1
283.13544	1.5
285.14987	1.2
287.12967	0.5
289.14417	1.0
293.15695	0.7
293.21320	0.5
295.13626	1.2
295.17007	1.2
297.14859	1.2
301.14432	1.0
311.13235	0.7
311.16370	2.5
313.14420	4.0
313.17941	1.1
315.15936	0.7
316.39508	0.5
321.15106	3.4
323.12686	0.7
323.16251	1.1
329.17618	1.3
331.15460	1.4
337.14267	0.7
339.16006	22.2
340.16315	1.6
341.13852	0.8
341.17563	0.8
347.18793	0.5
351.10898	0.7
355.15570	1.2
357.17035	11.2
358.17572	0.9
375.18076	0.9
383.14893	1.9
397.13766	0.6
401.15988	1.1
491.06036	0.6
526.44458	0.5
629.36096	0.5
650.37079	0.5
693.16351	0.5
737.29468	0.6
755.31274	2.6
773.31854	1.1
961.50354	0.7
971.48798	0.8
989.51489	4.0
997.52521	1.6
1003.50403	0.8
1015.52966	9.8
1016.53522	1.5
1031.51978	1.0
1033.53784	8.1
1034.53784	1.5
1041.50122	1.8
1059.51941	7.9
1060.52014	1.3
1077.52661	9.6
1078.52734	1.6
1085.49695	2.4
1086.49353	0.8
1103.50574	10.3
1104.51172	2.3
1121.51758	100.0
1122.52039	20.9
1122.70618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
82.68251	0.5
83.01307	0.7
84.85944	0.4
85.02816	1.4
87.00761	4.3
88.68494	0.6
89.02329	1.3
91.05426	1.0
93.03345	0.5
96.34773	0.4
97.02834	0.7
99.00758	0.7
101.02323	2.0
105.03345	1.2
109.25803	0.4
113.02338	1.2
119.03381	0.5
119.04907	1.5
121.02880	1.4
123.04397	0.6
125.02354	0.8
130.99776	0.7
131.04887	0.6
133.02844	0.8
134.03635	0.5
135.04398	1.0
137.02368	4.0
139.00307	0.5
139.03922	1.0
143.13507	0.5
145.02858	1.1
146.03625	2.4
147.04419	13.4
148.05223	3.6
149.05971	0.6
155.04962	0.6
158.03610	0.6
159.04408	6.8
160.05200	1.1
161.05981	2.7
163.03941	0.8
171.10194	0.8
172.05214	5.2
173.05995	9.9
173.07364	0.9
174.03197	2.4
174.06682	2.1
175.03954	1.7
175.07492	1.3
176.04691	0.9
180.80455	0.6
183.04439	0.7
185.05998	2.7
186.06738	3.4
187.03957	3.5
187.07529	3.8
188.04695	1.4
188.08104	0.8
189.05472	3.9
191.03418	1.2
192.04210	1.2
195.13797	1.2
196.05205	1.4
197.05995	3.0
198.06705	1.6
199.07594	1.8
200.04749	2.2
200.08353	2.3
201.05507	5.4
201.09140	1.9
209.05971	0.6
209.11725	0.6
211.07578	1.4
211.13353	2.2
213.05597	1.2
214.06244	1.3
215.03539	0.5
215.07086	4.4
216.07855	6.6
217.01436	0.8
218.02188	0.9
218.05774	1.3
223.07544	0.5
225.09195	1.2
226.10037	0.7
227.07120	0.6
228.07814	0.7
229.08582	1.0
232.03745	0.5
241.04852	0.7
241.12344	1.1
242.05826	1.7
243.10228	1.0
257.15344	0.9
260.06918	1.0
267.13876	0.6
269.15540	1.3
271.13254	0.9
276.77698	0.6
283.13394	4.1
285.14896	2.5
293.21295	2.0
295.16898	0.7
297.14944	20.1
297.18372	1.0
298.15369	2.1
299.12927	0.6
300.13693	2.2
301.14255	1.5
311.12961	3.7
311.16315	0.9
313.14578	1.1
313.18137	1.6
315.15881	3.9
318.14661	0.6
321.14853	0.9
323.16495	11.2
324.16763	1.0
325.14395	0.6
329.13968	0.7
339.15927	2.7
341.17572	16.9
342.18008	1.1
357.16772	1.1
359.18604	1.8
367.15298	2.4
385.16415	1.1
801.32178	0.7
895.50519	2.1
896.49872	0.6
1015.53076	1.6
1033.54077	7.0
1034.52979	0.9
1059.51099	2.5
1061.94055	0.6
1077.52893	17.2
1078.53271	3.8
1085.48474	0.8
1103.50867	17.3
1104.50879	4.0
1121.51843	100.0
1122.51941	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01214	0.6
85.02820	1.1
87.00746	3.7
89.02327	1.8
93.03373	0.6
94.62522	0.4
95.04892	0.7
96.95907	0.4
97.02847	0.5
98.19878	0.7
99.00753	0.7
101.02325	1.6
109.02845	1.0
113.02307	0.7
116.64217	0.5
119.03439	0.5
119.04914	1.1
121.02828	1.3
123.04408	0.5
125.02348	0.5
133.02878	1.2
135.04417	1.4
137.02332	3.7
139.00261	0.6
139.03899	1.3
145.02837	1.4
145.06590	0.4
146.03647	2.1
147.04417	14.1
147.05598	0.8
148.05220	4.3
149.05995	1.8
158.03615	0.7
159.04427	6.9
159.08063	0.4
160.05185	2.5
161.02325	0.5
161.04706	0.6
161.05998	4.0
163.03899	0.7
172.05217	4.5
173.05997	11.9
174.03146	2.1
174.06808	3.5
175.03923	1.5
175.07574	0.9
176.04724	0.8
179.03391	0.5
179.14331	0.5
185.06001	3.5
186.06816	3.1
187.03951	4.3
187.07553	4.1
188.04695	1.7
188.08350	1.3
189.05457	4.2
191.03462	1.1
192.04112	0.8
193.04942	0.7
195.13968	0.9
196.05223	1.1
197.06033	3.5
198.06769	1.3
199.03922	1.0
199.07632	2.1
200.04773	2.1
200.08379	2.5
201.05502	7.4
201.09090	1.8
202.06000	1.0
210.06738	0.5
211.07628	2.0
211.13304	2.4
212.04779	1.0
212.08344	1.0
213.05536	1.4
213.09184	0.7
214.06296	1.5
215.07138	3.5
216.07848	7.3
217.08340	0.6
218.02199	0.9
218.05766	1.3
221.06592	1.4
225.05373	0.5
225.09064	0.7
226.06245	0.5
229.08545	0.9
241.05118	0.7
241.12395	0.8
242.05785	1.1
243.10316	0.6
245.11763	0.9
255.13939	0.7
257.15350	0.5
260.06821	0.7
269.15594	1.4
271.13464	1.1
271.16800	0.6
275.20215	0.6
283.13324	4.1
284.13882	0.6
285.14966	2.5
293.21317	1.0
295.13449	0.7
295.16937	0.9
297.14963	25.5
297.18274	1.0
298.15326	1.4
300.13727	1.2
301.14404	1.1
305.15591	0.7
311.12881	3.4
311.16223	0.9
312.13602	0.8
313.14694	0.8
313.18140	2.4
315.15970	6.2
316.16376	0.7
318.14429	0.6
321.14978	0.7
323.13184	0.5
323.16492	11.5
324.16846	1.1
325.14429	0.8
329.13907	1.5
329.17667	0.6
339.15948	2.7
341.17554	23.5
342.17807	1.6
343.08127	0.7
349.14597	0.6
357.17264	0.9
359.18628	4.7
367.15549	3.3
385.16434	1.7
391.25201	0.5
401.43204	0.5
403.17648	0.6
521.04608	0.5
739.32233	0.9
757.32837	1.6
801.32263	0.8
843.06500	0.6
1015.52795	1.2
1033.53821	6.3
1034.54468	1.2
1043.52026	0.5
1059.51208	2.6
1077.52734	16.0
1078.53357	3.3
1083.57886	0.8
1085.51575	1.5
1103.50745	17.2
1104.50928	4.1
1121.51794	100.0
1122.52039	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	1115.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00760	0.4
88.27731	0.2
96.95892	0.2
101.02310	0.6
109.02798	0.2
111.00755	0.2
123.00808	0.2
130.99818	0.2
135.04390	0.2
137.02342	0.9
145.02856	0.4
146.03683	1.1
147.04474	1.8
148.04904	0.5
149.02269	0.2
159.04462	0.6
160.01563	0.2
161.02301	0.3
163.00299	0.4
163.03859	0.2
165.01753	0.2
171.04436	0.3
171.08072	0.4
172.05194	1.2
173.06007	0.6
174.03166	0.8
175.03951	0.2
175.07420	0.2
177.01834	0.5
179.03398	0.2
182.03622	0.2
185.05994	0.9
186.06770	0.6
187.03983	0.3
187.07629	0.9
189.01892	0.2
190.99681	0.2
191.03397	0.4
192.04149	0.3
193.04982	0.4
196.05209	0.4
197.05988	0.3
198.03201	0.4
199.03931	0.4
199.07671	0.5
200.04724	0.2
200.08315	0.5
201.01912	0.3
201.05406	0.4
201.09142	1.6
202.02773	0.3
202.06146	0.3
210.03183	0.7
211.03801	0.3
211.07475	0.3
211.13269	0.2
213.05450	0.5
214.02623	0.5
214.06270	0.8
215.07108	1.2
215.10693	0.5
216.07617	0.2
218.02116	1.7
219.02611	0.3
225.05492	0.8
225.09055	0.9
226.02705	1.3
226.09848	0.4
227.03409	0.4
229.01405	0.6
229.08600	1.0
230.02068	0.3
231.06689	0.3
239.03470	0.5
240.04149	0.3
241.05048	0.5
242.02151	1.5
243.03078	0.3
243.10187	1.8
245.04466	0.4
245.08192	0.8
253.01399	0.4
254.02280	1.0
255.02788	0.5
267.02917	0.4
268.03812	0.2
269.00937	0.6
269.04590	0.9
270.01721	4.4
271.02216	0.4
281.00952	0.5
282.01392	0.4
283.02472	0.9
284.03171	0.6
285.04041	7.7
286.04443	0.5
288.10172	0.4
297.00739	0.5
297.04068	1.5
297.14941	0.4
298.01218	2.2
298.04379	0.2
298.15039	0.2
299.05600	1.6
311.13046	0.2
312.02841	1.2
313.03543	31.5
314.03931	2.3
320.02972	0.4
327.05078	3.4
328.05875	12.6
329.06247	0.9
332.03146	0.6
342.07175	0.3
342.17877	0.2
343.08215	33.1
344.08539	2.5
348.02795	0.3
353.03070	0.3
359.01779	0.3
361.03275	0.3
362.04605	0.2
376.02103	1.1
385.16541	0.3
391.04474	1.1
407.04025	0.5
418.03214	0.4
419.04080	5.6
420.04471	0.6
429.15506	3.1
430.16003	0.5
433.05316	0.9
434.06458	1.0
435.07150	0.3
437.08920	0.6
447.16614	0.3
448.07816	0.7
449.08820	2.6
465.08197	0.5
552.81213	0.2
611.11304	0.2
623.08350	0.3
625.06085	0.6
627.11212	0.8
641.13226	0.3
653.12988	0.4
655.10999	6.0
656.11084	0.8
669.12305	0.4
670.13428	0.7
685.15613	100.0
686.15955	14.4
703.97980	0.2
955.21051	0.2
1078.40405	0.3
1079.40808	0.9
1096.40222	0.6
1097.41223	2.7
1098.41003	0.4
1114.58569	0.4
1115.44141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.4
85.02827	0.7
89.02321	0.4
99.00755	0.2
101.02329	1.2
106.95467	0.1
113.02311	0.7
119.03395	0.4
123.08064	1.5
131.03435	0.1
137.09607	0.5
151.00229	0.2
161.02357	0.1
161.04416	0.6
163.11182	1.2
171.11627	0.2
189.12778	2.6
191.70496	0.1
198.03145	0.2
203.05562	0.2
207.13838	2.9
210.03166	0.5
213.05466	0.2
214.02612	0.2
217.62766	0.1
225.05515	0.6
225.14861	0.8
226.02643	1.0
227.03465	0.3
229.01373	0.4
230.02214	0.2
239.03285	0.2
241.05020	0.3
241.11159	0.1
242.02142	1.2
243.02899	0.2
245.04649	0.1
253.01181	0.1
254.02187	0.9
255.02789	0.3
257.04419	0.2
267.02908	0.3
269.04413	0.4
269.98929	0.2
270.01691	3.3
270.04593	0.2
271.02399	0.2
281.00903	0.4
282.01642	0.2
283.02481	0.7
284.03406	0.6
285.04041	6.4
286.04373	0.3
297.04083	1.6
298.01193	2.2
299.01843	0.2
299.05600	1.3
299.60944	0.1
300.02734	0.2
300.05957	0.2
312.02817	0.4
312.06161	0.1
313.03534	35.0
314.03821	2.2
327.05087	2.5
328.05859	16.1
329.02692	0.1
329.06119	0.9
332.62015	0.1
343.08203	100.0
344.08530	6.7
361.16599	0.2
369.19284	0.2
387.20193	1.0
428.04892	0.1
429.21301	4.2
430.21597	0.4
446.31622	0.1
574.91455	0.1
637.17682	5.0
638.18134	0.7
644.64771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01274	0.2
85.02826	2.1
87.00751	1.2
87.04401	0.2
88.98680	100.0
89.51242	0.2
89.99033	0.5
91.64907	0.2
95.01266	0.3
97.02844	1.2
99.00755	1.5
101.02318	0.5
103.03945	0.2
113.02344	1.3
125.02328	2.0
129.34557	0.2
131.03406	0.7
143.03406	0.8
147.04407	0.3
149.06061	0.2
159.23152	0.2
183.70314	0.2
193.05013	0.3
205.07137	0.4
251.32205	0.2
289.10034	0.2
343.08112	0.2
462.09222	0.2
565.38995	0.4
802.98627	0.3
921.52838	0.2
1003.52277	0.4
1021.53790	44.0
1022.53912	7.8
1023.54474	0.7
1111.53369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01749	0.4
79.26188	0.1
79.86275	0.1
81.03331	0.2
83.01257	1.1
85.02822	8.5
85.99966	0.9
86.03152	0.1
87.00748	3.5
87.04384	1.0
89.00843	0.1
89.02304	1.4
91.03750	0.1
95.01264	9.0
96.95885	0.1
97.02824	0.9
99.00757	8.7
99.04364	0.2
101.02316	1.7
103.03899	0.6
111.00794	0.6
111.04414	0.2
112.01530	0.2
113.02333	5.7
115.00238	0.4
115.03879	1.0
119.03342	0.2
121.02786	0.1
123.00771	10.4
124.01137	0.3
125.02319	1.4
127.03867	0.1
129.01819	0.4
131.03397	3.8
137.02271	0.1
139.00269	0.3
140.01056	0.3
141.01830	2.5
143.02368	0.2
143.03401	2.9
145.04951	0.4
147.04315	0.2
157.01337	0.6
161.04401	0.1
163.06026	0.7
205.07066	1.4
247.08267	0.1
299.01886	0.2
394.52164	0.1
439.35825	0.4
560.69403	0.2
563.37427	0.2
723.41022	0.2
863.47992	0.2
877.49542	0.1
948.49921	0.3
1001.50586	1.1
1002.54437	0.1
1019.52185	100.0
1020.52435	22.0
1051.54797	26.7
1052.55066	6.6
1081.55371	0.3
1082.56421	1.1
1083.55908	0.2
1114.55151	0.4
1115.54541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01275	0.7
85.02825	7.2
87.00751	3.6
87.04378	1.1
89.02324	1.2
95.01263	1.7
96.95899	2.9
98.20571	1.0
99.00772	5.3
101.02335	1.7
103.03900	0.5
109.02924	0.6
111.00764	1.9
111.04372	1.1
113.02341	4.7
115.03896	1.1
123.00719	0.6
131.03401	2.4
136.20854	0.5
140.01051	1.3
141.32709	0.5
141.79237	0.5
143.03381	2.4
147.04395	0.8
152.63739	0.5
155.03395	1.2
156.75500	0.5
157.01341	0.7
163.05972	0.6
205.07097	1.9
223.70482	0.6
343.08224	0.7
439.36176	0.7
471.97791	0.5
567.66602	0.6
719.18011	0.6
733.77277	0.6
833.51373	0.6
921.52740	0.7
1033.51880	0.8
1051.54834	100.0
1052.55078	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02835	0.9
87.00757	2.4
91.05402	1.0
93.03335	0.8
96.24402	0.6
98.19804	2.1
101.02322	2.6
105.03341	1.4
108.02045	1.2
113.02325	2.3
117.03345	0.8
119.04906	2.0
121.02833	1.7
122.03675	1.4
124.01565	1.0
134.03653	0.6
135.04422	1.2
137.02328	4.2
143.04955	1.4
145.02859	4.3
146.03635	8.7
147.04430	14.8
148.04976	2.6
149.05913	2.2
151.00317	1.5
156.05695	0.7
158.03633	1.7
159.04419	20.8
159.08067	0.8
160.01515	0.7
160.05020	1.2
160.37300	0.6
161.02335	1.6
161.05974	1.1
162.06680	0.8
163.03964	0.8
165.05496	1.4
169.06468	1.6
170.03630	1.1
171.04417	7.2
171.08049	2.1
172.05208	41.2
173.02373	1.3
173.06000	15.0
173.09564	0.6
174.03168	4.8
174.06702	2.6
175.03949	2.9
175.07555	5.2
176.82173	0.6
182.03670	0.8
183.08076	2.1
185.06003	17.3
186.03183	0.6
186.06784	15.3
187.03999	3.6
187.07576	35.8
188.04668	0.8
188.08360	4.4
189.05507	2.8
190.06238	1.5
191.03406	8.5
192.04077	1.3
193.04971	1.1
195.04442	0.7
196.05310	3.9
197.06013	16.0
198.03236	0.9
198.06615	1.4
199.03949	2.8
199.07593	8.1
200.04727	12.1
200.08368	8.6
201.05566	6.5
201.09143	100.0
202.06345	4.9
202.09444	5.1
203.03365	1.6
203.07111	5.2
204.04208	3.6
204.07417	0.8
205.04642	0.6
205.08388	0.7
205.14799	0.7
209.05994	1.2
210.03174	1.7
210.06844	1.5
211.07570	5.2
211.13364	0.9
212.08092	0.8
213.01860	1.0
213.05502	4.5
213.09131	1.2
214.02736	1.0
214.06306	8.4
214.09840	1.1
215.07098	42.3
215.10654	19.4
216.00516	0.7
216.04172	2.0
216.07555	2.6
216.11469	8.5
217.01396	1.3
217.05135	1.3
218.02252	6.4
218.05788	14.6
219.02612	2.4
219.06517	3.1
222.35965	0.6
223.07570	1.3
224.08318	1.1
225.01927	1.1
225.05521	1.8
225.09149	10.4
226.02689	1.9
226.09950	20.7
227.03540	0.7
227.07033	0.9
227.10646	4.1
228.07915	1.9
229.04985	2.6
229.08653	53.4
230.09015	4.2
231.06593	15.7
232.03706	2.0
232.07327	6.7
233.08109	3.5
239.03494	0.9
240.04216	1.1
241.04982	1.6
241.08710	0.9
242.02234	2.5
242.09503	1.2
243.10245	49.7
244.07439	3.8
244.10980	19.2
245.08160	85.5
246.05165	0.9
246.08556	5.2
247.06027	0.6
253.01372	1.1
254.02161	1.8
255.03012	1.2
257.08255	0.8
258.08881	2.1
259.06104	2.4
259.09702	5.3
260.06952	1.0
267.03098	0.7
268.03976	0.9
269.00925	1.9
269.04544	1.6
269.07828	0.8
270.01675	6.4
270.08908	3.7
271.02307	1.3
276.10031	0.9
281.00916	0.7
283.02490	2.2
284.03223	2.6
284.06381	1.1
285.04034	12.5
285.07632	2.9
286.04492	0.9
287.09274	4.9
288.10022	22.1
289.10565	1.4
295.02603	0.7
297.00790	1.1
297.04041	4.1
297.07111	0.8
297.14972	0.8
298.01389	3.0
298.04257	0.6
299.02362	1.1
299.05569	2.8
303.08850	1.2
312.02655	2.1
312.06232	0.8
313.03549	53.6
313.18024	1.3
314.03873	3.8
314.07837	1.8
320.09015	4.0
323.16412	1.1
327.01666	1.1
327.05066	5.5
327.08533	1.3
328.05881	18.7
329.06302	2.1
331.08408	0.9
332.09012	42.9
333.09421	2.9
342.07440	1.7
343.08212	51.8
344.08569	4.1
357.06192	1.2
385.16672	3.0
429.15533	94.2
430.15909	9.6
447.16873	0.7
595.11658	0.7
625.06036	0.8
655.11273	3.9
685.15607	74.9
686.15942	12.6
833.38855	1.1
834.40399	0.7
877.38312	1.4
878.38727	1.2
1053.42847	1.2
1078.41663	0.9
1079.41003	2.1
1096.41821	4.0
1097.41638	9.0
1098.41016	0.9
1114.42322	0.9
1115.43628	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	23.0
67.01765	34.0
68.02097	2.2
69.03326	1.5
70.44275	4.8
71.01249	3.8
78.95779	100.0
79.95615	3.7
83.01263	56.7
83.04904	2.0
84.01589	2.6
84.04417	3.4
88.63309	1.6
96.64922	1.8
110.97446	5.7
111.00768	78.9
111.01901	3.7
111.04420	2.8
112.01115	3.5
112.03943	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	1105.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
82.21965	0.3
85.02813	0.8
87.00739	1.0
89.02312	1.2
91.05409	0.6
93.03325	0.5
95.04943	0.4
98.20536	0.4
99.00751	0.6
101.02332	2.1
101.03813	0.3
103.05393	0.4
105.03336	0.8
107.67484	0.3
108.02052	0.5
109.02831	0.9
111.00749	0.3
113.02332	1.0
119.04911	1.4
121.02862	1.8
126.67004	0.3
129.03360	0.4
130.04118	0.7
130.99875	0.3
135.04388	0.6
137.02338	3.5
139.00279	0.7
139.03889	1.3
143.04895	0.5
145.02849	0.7
145.06465	0.5
146.03624	1.8
147.04424	15.8
148.05212	4.6
149.05919	0.5
159.03157	0.5
159.04425	6.6
160.05202	2.3
161.04659	0.6
161.05965	3.2
162.06339	0.3
163.03944	0.6
172.05200	4.3
173.06004	11.3
174.03120	1.3
174.06737	3.2
175.03883	1.4
175.07562	0.4
176.04675	0.7
183.04420	0.8
185.06023	3.0
186.06796	3.9
187.03940	3.8
187.07545	3.3
188.04662	1.1
188.08298	1.1
189.05496	3.7
189.09099	0.4
191.03413	1.1
192.04213	1.5
193.05058	0.4
193.12231	0.3
196.05243	1.4
197.06015	2.9
198.06833	1.9
199.07564	1.7
200.04668	1.8
200.08305	2.1
201.05521	7.6
201.09140	1.3
202.05930	0.3
210.06895	0.4
211.07594	1.2
211.13280	2.2
212.08330	1.0
213.05510	1.1
213.09038	0.7
213.12643	0.3
214.06322	0.9
215.07079	3.3
215.10655	0.4
216.07854	8.5
217.01462	0.4
217.08292	0.4
218.02139	0.8
218.05843	0.9
221.06616	1.6
224.04747	0.4
225.05515	0.5
225.09100	0.7
226.06331	0.3
226.09846	0.5
227.07004	0.4
240.07909	0.4
241.12257	0.7
242.05782	1.3
243.10188	0.4
253.15898	0.5
255.13936	0.5
257.15546	0.6
260.06876	0.8
268.11032	0.5
269.15457	1.1
271.13391	0.8
271.16898	0.5
277.21707	3.9
279.13937	0.5
279.17532	0.4
281.15671	0.4
283.13443	3.1
284.13760	0.4
285.14999	3.2
289.14496	0.5
295.13428	0.5
295.16891	0.9
297.14957	23.0
297.18170	0.9
298.15298	1.8
299.12616	0.4
300.13623	2.2
301.14511	1.6
305.15527	0.4
311.12885	3.7
311.16528	0.9
312.13483	1.2
313.14444	0.9
313.18097	2.1
315.16000	5.9
316.16394	0.7
318.14905	0.4
321.14932	0.8
323.16513	13.7
324.16882	0.5
325.14417	0.9
329.13925	1.3
330.14291	0.4
331.15308	0.4
333.09976	0.8
339.16037	2.7
340.16272	0.5
341.17572	23.3
342.17798	2.0
349.14398	0.9
357.17072	0.8
359.18607	4.6
367.15451	2.5
385.16501	2.0
403.18027	0.5
441.35938	0.3
739.31903	0.9
744.22675	0.4
757.33130	2.3
783.30450	0.8
801.31885	1.2
824.80121	0.4
827.29352	0.5
973.51160	0.5
987.49707	0.7
999.52942	2.2
1015.52545	0.6
1017.54187	7.7
1018.54901	1.1
1025.51086	0.4
1043.52466	3.8
1061.53345	19.8
1062.53149	3.1
1069.50500	1.6
1087.51367	17.0
1088.51831	3.5
1105.52258	100.0
1106.52588	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	1099.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
80.09970	0.1
81.03308	0.2
83.01252	1.6
84.02020	0.2
85.02824	9.0
85.99976	1.1
86.03175	0.2
87.00752	5.6
87.04391	1.3
89.02318	1.3
95.01269	1.5
95.15329	0.1
97.02818	0.3
98.00688	0.1
99.00762	7.7
99.04378	0.3
101.02330	4.1
103.03865	0.7
108.02042	0.2
109.02856	0.2
111.00784	0.5
112.01517	0.1
112.62978	0.1
113.02331	6.1
115.00264	0.3
115.03893	1.3
119.03387	0.3
119.04848	0.1
121.02870	0.2
122.03666	0.1
123.04441	0.2
125.02291	0.5
127.03960	0.2
128.26546	0.1
129.01825	0.2
131.03398	3.0
132.02028	0.1
134.03592	0.6
137.02354	0.3
139.00270	0.3
143.03413	2.4
145.04958	0.5
146.03697	0.3
147.04384	0.7
148.05191	0.2
149.02263	0.2
149.05968	0.4
150.03082	0.2
152.01048	0.3
157.01341	0.4
159.02902	0.2
159.04556	0.2
160.01585	0.4
161.02351	0.3
161.04491	0.8
163.03938	0.2
163.06026	0.7
165.05473	0.2
173.05969	0.3
174.03110	0.2
175.03885	0.8
175.07719	0.2
177.01839	0.2
183.13788	0.2
185.06036	0.1
187.03996	0.1
187.07571	0.2
191.03450	0.2
193.04994	0.7
199.07607	0.3
201.09146	0.3
202.06236	0.2
203.07101	0.2
205.07080	1.5
214.06274	0.1
215.07071	0.2
219.02980	0.2
225.09227	0.3
243.10262	0.5
244.10880	0.2
247.08275	0.3
287.09332	0.2
297.03931	1.0
297.15253	0.1
299.02145	0.2
300.02661	0.2
301.16599	0.3
309.56491	0.1
312.06421	0.2
313.03528	0.4
321.88809	0.1
327.05212	0.2
327.08762	0.9
328.09216	0.2
333.09787	0.1
343.08249	0.5
357.06146	0.2
358.06900	0.2
429.15549	0.3
446.15955	0.2
447.10672	0.2
447.16690	2.3
448.16812	0.4
469.13608	0.6
556.15375	0.2
639.33765	0.1
785.45538	0.2
803.46002	0.4
805.29303	1.3
806.29260	0.3
893.37073	0.4
995.56647	0.3
1081.56189	1.6
1082.55591	0.4
1099.56921	100.0
1100.57275	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
76.49945	0.1
79.01736	0.2
80.93262	0.1
83.01260	1.3
83.20629	0.1
84.02037	0.1
85.02825	7.1
85.99958	0.5
87.00223	0.2
87.00753	3.2
87.04396	0.9
89.02313	1.0
95.01264	6.6
96.01573	0.2
96.54736	0.1
97.02840	1.9
98.19715	0.2
99.00761	7.5
99.04381	0.2
100.01085	0.2
101.02334	1.5
103.03883	0.6
111.00748	0.5
112.01459	0.1
113.02333	5.4
115.00259	0.1
115.03356	0.1
115.03911	1.0
119.03390	0.3
119.04910	0.1
123.00777	8.7
124.01105	0.1
125.02332	1.3
131.03403	3.0
134.03635	0.2
137.02301	0.1
139.00366	0.2
141.01842	2.8
143.03410	2.2
145.04973	0.3
147.04404	0.5
148.05180	0.2
152.12712	0.1
157.01334	0.5
159.04439	0.1
163.06061	0.6
172.05244	0.1
189.03944	0.1
191.03517	0.3
204.97992	0.1
205.07104	1.5
211.13419	0.2
224.04745	0.1
247.08090	0.1
339.74225	0.1
343.08292	0.2
405.03546	0.1
423.91013	0.1
439.36060	0.3
509.40338	0.2
723.41217	0.2
873.46033	0.2
895.50592	0.2
911.41974	0.1
948.51135	0.4
993.55176	0.9
1000.32336	0.2
1001.51465	0.8
1019.52240	100.0
1020.52484	26.7
1037.53284	15.3
1038.53625	4.2
1100.49268	0.4
1101.48962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	0.4
83.01269	0.4
89.02334	1.3
93.03329	0.3
97.02786	0.3
99.04397	9.5
99.27627	0.2
101.01700	0.3
101.02329	5.1
103.44764	0.2
119.03405	0.3
125.02337	6.3
129.52374	0.2
134.03638	0.7
135.04376	0.2
143.03436	0.2
145.07626	3.3
146.04739	0.4
149.02328	0.3
159.05478	0.2
159.09167	0.5
160.06340	8.3
161.04474	5.5
161.07112	26.3
162.07465	0.8
171.09238	0.3
173.04510	0.3
173.07123	0.4
173.10762	1.2
174.71814	0.2
175.08685	18.4
176.08986	0.7
178.02762	0.2
183.09175	0.2
185.10718	1.3
186.07854	0.3
187.08705	4.0
189.06619	55.2
190.07001	2.5
191.05534	0.5
199.08725	0.3
201.10298	4.9
202.10674	0.3
203.08197	24.6
203.11812	7.5
204.08521	1.2
204.12160	0.3
215.08359	0.3
217.09813	0.7
229.09778	12.7
230.10051	0.7
245.09290	0.8
259.10773	0.2
270.01645	0.2
277.11847	3.0
278.78671	0.2
285.04062	0.6
287.10364	0.3
293.10297	0.8
295.13086	0.4
298.01212	0.2
305.11429	36.7
306.11737	2.3
313.03506	3.3
323.12473	100.0
324.12778	5.3
327.05133	0.4
328.05844	1.2
343.08231	7.0
344.08606	0.4
361.16672	0.2
365.13513	18.3
366.13998	1.1
405.16675	3.6
406.16974	0.4
449.14474	0.3
467.16696	51.9
468.16980	4.8
637.17700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05402	0.1
91.05411	7.2
92.05750	0.2
93.03337	1.6
95.01249	0.1
98.20542	0.1
103.05416	0.2
105.03378	0.1
107.04884	0.3
108.02052	0.6
109.02838	13.9
110.03175	0.3
111.00780	0.1
119.04924	0.4
121.02845	6.7
122.03206	0.1
123.04404	0.2
124.01608	0.1
133.02835	0.3
135.04416	95.1
136.01561	0.1
136.04745	2.6
137.02344	0.5
138.03122	1.6
139.03929	0.3
146.03699	0.1
147.04419	9.1
148.04723	0.3
149.02341	1.5
149.05965	0.1
151.03870	0.7
151.04846	0.1
152.04680	0.3
153.05486	4.7
154.05821	0.1
156.34094	0.1
159.04422	0.1
161.02333	0.2
161.05959	0.1
162.03180	0.1
163.03909	0.4
164.04704	2.8
165.05034	0.1
167.06995	0.1
176.04686	0.1
176.99944	0.1
177.01526	0.1
177.05542	0.5
179.07060	8.2
180.07365	0.3
185.06020	0.2
189.05530	0.1
199.07483	0.2
200.08401	0.2
201.05573	0.1
201.09143	0.1
203.07156	0.1
209.05937	0.1
210.06841	0.4
211.03900	0.1
212.04741	0.5
213.05505	0.1
213.09253	0.1
216.07805	0.2
225.05611	0.1
225.09184	0.4
226.06270	0.2
227.03520	0.1
227.07065	1.3
229.04913	0.3
229.91116	0.1
231.10306	0.1
233.11818	0.3
239.03532	0.1
239.07069	0.1
241.04971	0.1
242.09433	0.3
243.06638	0.2
244.07372	0.2
253.05093	0.4
254.05820	1.9
255.06541	0.6
256.03769	0.2
257.04645	0.1
257.07959	0.1
257.11798	0.1
259.09854	0.3
268.07440	0.3
269.08185	4.0
270.08557	0.2
271.06134	1.3
271.09497	0.1
273.11346	0.1
283.09891	0.3
284.97128	0.1
285.07712	0.2
286.08514	0.6
301.10800	100.0
302.11136	6.8
325.10855	0.4
343.11945	0.2
445.15125	0.8
446.15042	0.1
463.16132	0.4
505.17160	28.2
506.17459	3.2
545.82751	0.1
771.31860	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
77.26675	0.4
85.02828	0.9
87.00750	7.0
89.02293	0.6
90.73192	0.3
95.01286	0.6
99.00748	2.1
101.02341	0.7
108.02055	1.2
109.02829	2.1
111.00771	0.7
113.02280	0.5
115.05433	0.5
117.03356	0.5
119.04953	0.6
121.02863	2.4
123.00772	2.4
124.01549	2.2
125.02350	3.3
131.04929	0.8
132.02104	0.5
133.02864	0.5
134.03633	0.8
135.04437	1.1
137.02325	2.9
138.03127	3.7
139.03888	1.3
143.04945	0.8
145.02850	1.6
145.06503	0.5
146.03653	3.3
147.04410	6.5
149.02406	0.9
149.06042	0.8
151.00267	1.3
151.03937	0.8
152.01065	1.7
152.04750	0.8
153.01866	0.8
153.05490	2.1
153.64549	0.4
157.02913	0.4
158.03610	0.6
159.04422	21.6
160.01581	0.9
160.05232	3.4
161.02347	9.3
161.05971	7.0
162.03122	4.4
162.06331	0.5
163.03911	2.7
171.04346	0.5
172.05222	0.8
173.02377	3.2
173.04559	0.9
173.05980	7.5
174.03099	2.8
175.03920	11.2
176.01015	0.4
176.04723	3.0
177.01906	1.5
177.05373	1.2
185.02335	0.6
186.03168	0.9
187.03947	5.2
187.07523	0.6
188.04698	3.6
189.01820	1.4
189.05493	5.9
190.02704	1.1
191.03453	1.8
191.05466	0.7
195.04472	0.5
196.05222	0.5
197.06047	2.0
198.03148	1.6
199.03899	1.9
199.07596	0.7
200.01125	0.6
200.04631	0.5
201.01822	1.1
202.02597	0.6
203.03423	3.7
204.04192	1.2
205.05002	1.3
207.02934	0.5
210.03169	2.6
211.03848	1.3
212.04645	0.6
213.01862	0.9
213.05537	1.8
214.02644	1.9
215.03416	0.9
217.01335	0.9
217.04980	1.1
219.02917	1.1
223.03986	1.0
223.07642	1.1
224.04675	0.7
225.05524	14.8
226.02696	5.5
226.06116	1.1
227.03532	2.0
227.07062	1.0
228.04187	1.3
229.01363	3.6
229.05014	0.8
230.02127	1.5
237.05692	0.8
239.03453	1.8
239.07220	1.0
240.04195	1.4
241.01492	0.5
241.05029	4.3
242.02151	5.3
242.05766	0.8
243.02913	0.8
243.06395	2.2
245.04550	0.9
249.05544	2.2
249.07797	1.1
250.06358	0.5
251.03519	3.9
251.07176	4.3
252.04202	1.4
252.07770	0.5
253.01370	0.9
253.05043	13.7
253.07701	0.9
254.02098	4.6
254.05728	2.8
255.02922	3.0
255.06732	0.8
256.03723	2.6
257.04568	1.6
257.84698	0.4
259.02405	0.7
259.96964	0.4
261.05499	0.6
263.03461	1.0
264.04224	0.9
265.05084	1.7
266.05786	0.8
267.03061	1.9
267.06638	4.1
268.03781	2.8
268.07214	0.8
269.01126	1.0
269.04535	13.4
269.08078	1.6
270.01721	14.7
270.05283	8.4
271.02377	2.6
271.06100	18.2
272.06570	1.0
276.04077	0.8
277.05045	7.0
278.05688	1.5
279.03015	4.3
279.06625	4.0
280.03705	1.9
280.07169	0.7
281.01059	2.1
281.04517	13.3
281.07843	0.7
282.01920	0.9
282.05267	3.6
283.02847	2.4
283.05908	2.4
283.09131	0.5
284.03278	3.3
284.06900	6.4
285.04092	26.1
285.07617	4.6
286.04565	1.3
286.08450	11.9
287.09042	1.6
291.06842	0.7
292.03751	0.6
293.04614	6.6
294.05130	3.2
295.02585	2.0
295.06046	10.8
296.03247	5.3
296.06836	3.7
297.04031	16.2
297.07681	10.1
298.01181	7.8
298.04605	2.2
298.08398	2.0
299.02005	0.9
299.05603	4.4
299.09259	10.1
300.02655	2.1
300.09781	1.2
301.10791	15.4
302.11169	0.9
303.03143	0.5
304.03683	0.7
305.04523	5.2
306.05243	1.8
307.06104	1.0
308.06778	0.8
309.07709	1.7
310.04950	0.8
310.08459	3.9
311.05618	10.0
311.09232	3.1
312.02783	2.1
312.06384	11.0
312.10077	6.5
313.03549	100.0
313.06973	7.2
314.03882	7.1
314.07858	1.9
319.06030	0.7
320.06851	0.9
321.04028	4.5
321.07532	0.5
322.04794	3.5
322.08182	0.8
323.05621	7.5
323.09106	0.8
324.06091	0.8
325.03311	1.0
325.07162	11.6
325.10834	4.6
326.04086	1.0
326.07922	14.0
326.11703	0.9
327.05045	8.1
327.08731	29.8
327.12402	12.1
328.05853	34.4
328.09491	8.9
329.06281	2.6
329.10309	5.8
333.04132	0.5
335.09396	0.6
336.06436	3.4
337.07193	5.1
338.04056	0.3
338.07916	8.5
339.05048	2.2
339.08649	0.7
340.05786	1.1
341.06583	0.7
341.10300	2.1
342.07300	1.2
342.11069	1.7
343.08197	88.6
343.11969	23.5
344.08542	8.4
344.12308	1.5
345.09653	1.0
349.03528	1.0
351.08649	11.4
352.09204	1.4
353.06552	1.5
353.10294	15.3
354.07385	3.0
354.10553	0.8
355.04398	1.0
355.08255	5.7
356.08743	0.5
359.07718	0.6
363.05344	0.6
364.05789	1.0
369.09769	21.7
370.10281	1.4
371.07089	0.7
371.11386	8.2
372.11786	0.9
379.08160	4.4
382.06989	0.5
387.10913	4.2
395.07663	1.0
396.08395	0.9
397.09265	20.4
398.09671	1.7
399.07028	2.7
408.04883	1.7
413.12814	0.6
415.10400	4.9
417.12268	0.7
423.07230	17.1
424.07541	1.5
441.08209	8.1
442.08575	0.6
445.11395	1.4
459.13681	21.1
460.13150	1.7
469.11325	1.1
475.12540	0.8
483.09512	1.1
487.12625	4.0
488.12061	0.6
491.11887	2.2
513.10358	19.4
514.10944	1.4
517.13269	1.0
517.53674	0.5
519.15088	7.2
520.15253	0.9
529.13300	1.0
531.11707	1.4
547.14984	2.2
549.12115	1.2
555.10748	0.7
561.16125	9.4
562.16681	1.0
571.14246	0.9
573.12402	22.1
574.13141	2.2
577.15790	0.5
589.15405	1.1
591.15503	3.1
595.13110	1.3
609.15369	0.8
615.13538	16.5
616.13715	1.8
620.17053	0.8
621.18182	7.3
622.18549	0.6
631.16101	1.0
633.14734	3.3
645.14557	14.6
646.15411	1.4
649.17218	1.3
651.15515	1.5
657.14447	1.1
663.17664	3.0
665.20691	0.9
673.17365	0.7
675.15613	32.2
676.15735	3.4
681.03101	0.5
681.19678	4.0
691.18640	2.5
693.04657	0.8
693.16632	16.5
694.17236	2.1
697.96173	0.5
699.15277	1.0
705.16840	0.8
709.20184	0.9
711.17725	5.6
712.18115	1.1
717.16791	5.1
718.17371	1.0
735.17743	37.3
736.17920	4.2
753.18799	56.0
754.19061	8.6
759.21875	0.5
803.22736	0.7
1037.25476	2.4
1061.23218	0.9
1097.27771	67.6
1098.28320	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	1087.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01036	1.0
83.01568	0.7
83.04729	0.4
83.05151	0.3
85.02599	7.0
85.03175	3.2
85.99755	1.0
86.00288	0.7
87.00516	4.6
87.01118	2.1
87.04162	1.0
88.00719	0.3
89.02086	1.0
89.02668	0.6
95.01015	1.3
95.01672	0.5
95.04632	0.4
97.02634	0.4
97.03169	0.3
99.00500	9.6
99.01227	3.4
100.00934	0.3
101.02055	1.8
101.02783	0.5
103.03705	0.5
108.01857	0.3
109.02618	0.7
111.00564	0.6
113.02041	5.7
113.02926	1.7
115.00028	0.5
115.03604	1.2
119.04671	0.6
121.02615	0.5
125.02017	1.1
125.03022	0.5
131.03075	3.4
131.04134	0.7
133.02602	0.4
134.03337	0.9
134.45348	0.3
137.02029	0.8
139.00024	0.4
143.03069	3.1
143.04260	0.6
145.02632	0.5
145.04762	0.4
146.03397	0.7
146.04488	0.4
147.04073	1.2
149.02086	0.5
149.05595	0.5
150.99982	0.3
153.01546	0.5
157.01035	0.9
157.02122	0.3
159.04095	0.7
161.05627	0.4
163.03664	0.3
163.05772	0.6
172.04944	0.5
173.05624	0.9
175.00020	0.5
175.03596	0.7
176.00757	0.5
187.03722	0.4
188.04439	0.4
189.05270	0.5
191.03131	0.5
191.05135	0.4
192.03963	0.5
192.65742	0.3
193.04568	1.5
197.05672	0.5
199.07109	0.5
201.05185	0.7
205.06648	1.3
209.11548	0.5
217.26703	0.3
218.01726	0.4
219.66528	0.3
229.29591	0.4
270.01395	0.3
271.02127	0.4
283.12878	0.3
285.03564	0.8
297.14462	1.3
311.12390	0.3
313.03348	1.4
313.17365	0.4
314.03418	0.4
315.15680	0.7
323.16150	0.7
327.04947	0.5
328.05392	0.7
333.09479	0.7
339.15677	0.6
341.17023	1.1
343.08145	2.8
344.08182	0.7
447.16168	0.6
453.33160	1.1
453.39197	0.4
469.33304	4.3
470.33218	0.7
471.34842	10.7
472.34827	1.4
499.34311	0.4
511.34286	0.5
513.36115	2.4
514.35229	0.4
523.34161	0.4
537.35510	0.5
539.37445	7.4
540.37305	1.1
553.28644	0.3
553.35394	3.0
554.35284	0.7
565.34564	0.6
567.36383	0.9
583.36115	1.0
585.37994	17.6
586.38385	2.7
603.39008	2.4
604.39075	0.7
611.35449	0.5
627.35449	0.5
629.36969	13.6
630.37262	2.1
699.40735	2.1
700.41046	0.7
717.42303	5.1
718.43091	1.4
779.43121	0.5
863.48187	2.5
864.49188	0.5
907.47400	2.3
908.46942	0.6
925.48047	82.8
926.48389	20.3
967.47876	2.0
1011.43341	0.7
1037.42419	0.6
1043.42834	0.4
1044.43860	0.3
1055.42090	0.7
1069.44006	0.6
1087.53369	100.0
1088.53760	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	1091.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
78.35693	0.3
83.01263	0.5
84.38226	0.3
87.00745	5.1
91.07856	0.3
98.19668	0.3
99.00729	0.6
107.01279	0.9
108.02062	0.8
109.02813	0.5
119.04871	0.5
121.02840	0.7
124.01543	0.3
135.00793	0.4
135.04457	0.3
146.03619	1.0
147.04384	0.4
147.07977	0.2
148.01585	0.6
149.05966	1.2
151.00278	4.7
159.04416	1.6
161.05968	0.8
163.00290	0.8
163.03925	1.0
164.01115	0.4
164.04694	0.5
169.01353	0.3
171.04433	0.3
172.05295	0.4
173.06009	0.9
174.03122	0.7
174.06781	1.0
175.03912	0.8
175.07578	0.8
178.99754	2.2
185.00822	1.8
185.05977	0.5
186.06624	0.3
187.03964	0.9
187.07568	0.5
188.04704	5.9
189.05472	1.6
189.09120	0.6
196.05296	0.3
198.03203	0.4
199.04013	0.8
199.07533	1.4
201.05530	0.7
202.06297	0.4
203.07130	0.9
204.07721	0.5
211.03983	0.5
213.05489	0.5
214.06293	0.7
215.03506	0.5
215.06891	0.4
216.04228	0.7
217.08644	9.7
218.09111	0.6
225.09175	0.4
226.02637	1.5
227.03468	1.5
227.07066	0.8
232.07378	0.3
243.02972	7.7
243.10207	2.1
244.03348	0.5
245.08226	0.6
254.02136	1.3
255.02971	19.2
256.03421	1.0
261.11331	4.1
271.02472	42.3
272.02933	3.2
273.03943	0.5
287.09183	0.4
299.01974	1.9
300.02744	65.7
301.03342	9.6
302.03793	0.4
343.04630	0.4
349.05560	2.2
349.09299	9.2
350.09647	0.6
351.10773	0.3
741.18811	100.0
742.19177	12.3
831.79596	0.4
1045.72339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
80.71510	0.6
81.42818	0.6
85.02836	1.1
87.00756	10.5
89.02316	1.2
95.01289	1.2
99.00791	1.5
107.01331	0.8
109.02879	2.0
117.03405	0.9
119.04997	0.6
121.02824	3.5
123.00763	4.2
123.04468	0.7
124.01569	1.8
125.02372	2.7
130.99702	0.6
131.04948	1.6
133.02855	1.2
134.03644	0.8
135.04407	1.4
137.02327	3.6
138.03163	5.3
139.03938	1.0
143.04907	1.5
145.02887	2.1
145.06618	0.7
146.03622	2.8
147.04427	6.3
149.02313	1.0
149.06001	3.1
150.03116	0.7
151.00288	1.5
152.04724	0.9
153.05505	1.6
157.02840	0.7
158.03552	0.7
159.04425	30.2
160.05177	4.7
161.02342	8.4
161.05980	10.0
162.03168	4.8
163.03911	2.1
165.01881	0.9
171.04424	1.0
172.05190	1.0
173.02388	4.1
173.05963	8.6
174.03143	2.4
175.03926	15.6
176.04732	4.8
177.01843	2.2
177.05467	1.2
185.02332	0.8
186.03232	0.9
187.03923	4.4
188.04744	2.1
189.01881	1.3
189.05493	3.5
190.02690	2.5
191.03456	2.1
191.05460	1.4
193.04987	2.0
197.06018	2.1
198.03172	2.3
199.03902	2.3
199.07599	0.8
200.04628	0.8
201.01892	1.7
201.05501	0.8
202.02675	1.4
203.03461	4.0
204.04102	0.9
205.04973	3.1
208.03615	0.8
209.06094	0.9
210.03056	3.3
211.03981	1.3
211.07561	0.8
213.05522	2.8
214.02704	1.5
215.03400	1.5
215.06973	1.1
217.05013	1.7
219.03014	1.0
223.03854	0.9
223.07654	1.0
224.04744	1.4
225.05522	10.7
226.02649	6.3
227.03398	3.7
227.07072	0.8
228.04288	1.5
229.01315	3.2
229.05045	0.7
230.02203	1.1
237.05394	0.8
239.03458	2.7
239.07155	1.4
240.04256	2.2
241.05057	5.8
241.08752	1.4
242.02170	6.2
243.02844	1.9
243.06679	0.8
248.04701	0.8
249.05540	3.6
249.07758	1.1
251.03482	3.7
251.07123	6.9
252.07599	0.7
253.01379	1.5
253.05029	9.8
254.02130	4.8
254.05772	1.3
255.02975	4.0
256.03775	1.8
257.04340	1.2
261.05658	1.0
262.06052	0.8
263.03525	0.8
264.04324	0.8
265.05032	1.8
267.03122	1.9
267.06677	5.0
268.03842	2.6
268.07437	1.2
269.04559	16.2
269.07751	1.4
270.01730	14.1
270.05249	4.5
271.02542	5.6
271.06070	8.2
272.06540	1.0
273.00461	1.5
276.04260	0.7
277.02246	1.1
277.05081	10.0
278.05685	1.9
279.03018	4.7
279.06647	5.8
280.03671	1.6
280.07043	0.8
281.01047	1.8
281.04559	13.6
281.07495	0.7
282.01935	1.1
282.05240	2.7
283.02457	2.9
283.06104	2.7
284.03329	5.0
284.06952	5.7
285.04080	28.1
285.07626	2.7
286.04410	1.7
286.08374	4.7
287.09082	0.8
292.03729	0.8
292.97592	0.8
293.04623	6.6
293.07941	1.0
294.05374	4.4
294.08359	0.9
295.02679	1.3
295.06085	10.3
296.03262	4.9
296.06891	3.4
296.10004	0.7
297.04053	15.6
297.07700	11.3
298.01199	8.8
298.04587	1.7
298.08307	2.5
299.05637	5.2
299.09277	6.6
300.02835	3.9
300.05954	0.9
300.09940	1.2
301.10831	5.6
303.02899	1.1
305.04565	5.2
306.04971	1.1
307.06207	1.4
309.07721	1.9
310.05142	1.1
310.08304	3.5
311.05652	9.3
311.09351	3.6
312.02792	2.3
312.06400	9.3
312.10071	8.2
313.03549	100.0
313.06699	4.6
314.03879	7.0
314.07565	1.1
321.04129	3.7
322.04819	5.7
322.08234	1.4
323.05594	11.2
323.09073	0.7
324.06186	0.8
325.03387	1.1
325.07181	12.9
325.10806	4.6
326.07886	11.4
326.11658	0.7
327.05048	7.5
327.08734	24.8
327.12439	23.3
328.05908	29.7
328.09451	4.9
328.12659	1.9
329.06232	2.6
329.10205	2.8
336.06458	2.0
337.07156	7.9
338.04132	1.2
338.07895	9.4
339.05060	2.3
339.08673	1.0
340.05914	1.5
341.06311	0.8
341.10275	1.4
342.07346	1.1
343.08231	86.8
343.11960	13.8
344.08585	8.4
344.12338	1.9
349.03510	1.0
351.08627	8.7
352.09299	1.4
353.06000	1.2
353.10275	24.4
354.07373	2.5
354.10846	1.8
355.08307	6.4
364.06110	1.6
369.09778	22.7
370.10031	1.7
371.11374	23.1
372.11673	1.5
373.09052	0.7
379.08154	3.8
381.09848	2.9
387.10931	9.6
388.11261	1.1
395.07544	1.1
397.09314	30.3
398.09753	3.6
399.07193	5.6
408.05066	0.9
411.10831	0.6
415.10355	10.0
416.10651	1.2
420.65549	0.7
422.44220	0.6
423.07245	19.2
424.07730	1.2
429.12039	7.4
433.11411	5.0
439.10248	1.8
441.08267	25.4
442.08542	1.4
457.11475	4.2
459.02866	1.4
459.09378	28.9
460.09592	2.5
477.10214	2.8
483.09360	7.4
501.10284	2.4
575.13745	0.7
595.12823	1.2
621.17914	3.8
637.18005	3.5
663.18951	0.7
675.15698	6.2
681.20337	8.0
682.20874	1.3
691.18286	1.8
693.16345	3.7
709.19574	1.8
711.17841	2.9
717.16931	0.9
735.17706	25.1
736.18317	3.4
753.18842	74.6
754.18915	9.6
888.34131	1.0
905.22113	1.5
928.97565	0.7
1097.27600	31.6
1098.27637	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	1087.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03344	0.4
83.01257	0.9
83.04903	1.1
84.02045	0.6
85.02822	1.3
85.10371	0.4
87.00756	1.7
89.02317	2.1
91.05403	0.6
93.03326	0.8
95.01244	0.7
95.04969	0.6
99.00773	0.9
101.02314	2.7
105.03342	0.5
108.02054	0.7
109.02842	1.2
113.02320	1.2
114.01601	0.4
114.83813	0.4
117.03357	0.5
119.03365	0.6
119.04947	1.1
121.02831	1.7
121.26180	0.4
125.02338	0.7
132.22888	0.4
133.02878	0.9
134.03627	1.3
134.68742	0.4
135.04417	1.2
137.02342	5.4
139.00281	0.6
139.03909	1.7
145.02863	0.6
146.03697	2.0
147.04427	17.1
147.05598	0.9
148.05222	4.5
149.02339	0.5
149.05943	1.2
152.01067	0.5
159.04419	7.1
160.05241	2.3
161.02293	1.1
161.04642	0.6
161.05992	3.2
163.03902	1.3
163.11214	0.8
164.04642	0.8
165.01842	0.6
165.05533	0.4
165.12718	0.6
171.04395	0.6
172.05225	5.5
173.04642	0.6
173.06001	13.6
174.03146	1.6
174.06772	2.9
175.03935	1.6
175.07401	0.6
176.04674	0.9
177.01929	0.5
179.03479	0.5
180.05807	0.7
183.04472	0.8
185.06041	3.0
186.06801	4.3
187.03931	4.7
187.07567	3.2
188.04660	1.1
188.08350	1.3
189.01762	0.5
189.05505	4.2
191.03398	0.9
191.10858	0.4
192.04202	1.8
193.05006	1.4
196.05258	1.4
197.06018	3.8
198.06760	1.7
199.03914	0.7
199.07655	1.9
200.04700	1.7
200.08435	2.2
201.05507	8.6
201.09084	1.3
202.06076	0.6
204.03883	0.4
207.02834	0.4
209.06139	0.5
209.11772	10.4
210.12119	0.5
211.03925	0.5
211.07565	1.3
211.13370	1.7
212.08411	0.9
213.05530	1.6
213.09059	1.0
214.06174	0.8
215.07077	4.3
215.10608	0.7
216.07875	9.0
217.08275	0.6
218.05853	1.0
220.33014	0.4
221.06635	1.1
224.04718	1.0
225.05611	0.6
225.09171	0.5
226.06297	0.5
226.09950	0.7
227.07001	0.7
227.10612	0.6
232.03661	0.5
236.03024	0.6
240.07907	0.5
241.04996	0.6
241.12311	1.2
242.05780	1.4
245.11688	0.5
246.84258	0.4
260.06857	1.4
267.13898	0.8
268.95029	0.5
269.11865	0.7
269.15448	1.5
271.13297	0.9
283.13419	2.8
284.13913	0.5
285.14941	4.0
295.13739	0.5
295.16882	1.1
297.14969	27.7
298.15347	1.8
299.12918	0.5
299.16312	0.6
300.02719	0.4
300.13528	2.5
301.14459	1.6
305.15488	0.4
311.12924	5.1
311.16440	0.9
312.13516	1.3
313.03580	1.4
313.14441	1.1
313.18182	2.2
315.15948	7.7
318.14932	0.5
321.14929	0.7
323.13071	0.5
323.16495	14.5
324.16873	1.1
325.14478	0.9
329.13852	1.1
329.17584	0.5
331.19150	0.6
339.16046	3.2
341.17563	26.7
342.17969	1.5
343.08179	1.7
349.14566	0.8
357.17188	0.7
359.18570	4.2
367.15582	3.6
385.16479	2.2
403.17722	0.7
757.33289	1.2
783.30951	0.6
801.32306	1.3
949.44202	1.8
967.45911	4.8
968.45178	0.6
977.37634	0.5
993.43811	2.1
1011.44489	13.4
1012.44879	2.3
1019.41357	0.6
1037.42615	10.1
1038.43262	1.8
1043.46106	1.3
1055.43481	5.9
1056.43994	1.2
1069.44971	4.3
1070.44995	0.6
1087.46033	100.0
1088.46423	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	1083.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	6.5
79.01756	0.3
81.03343	0.4
83.01252	1.7
85.02824	10.2
85.99948	1.1
86.03157	0.3
87.00749	5.2
87.04378	1.3
89.02320	1.7
92.37832	0.2
95.01266	18.3
96.01617	0.2
96.92731	0.2
97.02824	1.2
99.00760	9.7
99.04358	0.4
101.02310	2.1
103.03871	0.5
110.71384	0.2
111.00745	0.9
111.04417	0.8
111.52074	0.2
112.01571	0.4
113.02333	6.3
115.00254	0.3
115.03909	1.5
119.03391	0.3
119.09641	0.2
123.00772	19.2
124.01074	0.6
125.02350	1.5
127.03938	0.4
131.03403	4.0
139.00275	0.5
140.01038	0.8
141.01826	0.9
143.03400	2.6
145.05009	0.4
155.03386	0.5
157.01318	0.4
163.06090	0.7
177.79083	0.2
185.05956	0.2
195.72089	0.2
199.62590	0.2
205.07132	1.4
209.11734	0.3
209.33429	0.2
224.62761	0.2
247.08067	0.3
358.23532	0.2
421.30994	0.2
439.35880	1.0
782.61902	0.2
895.50842	0.9
1019.52582	2.7
1020.51801	0.5
1021.53796	11.1
1033.53748	1.4
1034.53833	0.5
1051.54846	100.0
1052.55115	28.8
1083.57629	11.7
1084.58044	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	1084.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	4.5
81.03322	0.2
81.38884	0.1
83.01263	1.4
85.02825	7.3
85.99982	0.7
86.03130	0.2
87.00754	2.9
87.04383	0.9
89.02317	1.1
95.01267	1.4
97.02829	4.2
98.19794	0.4
99.00758	5.4
99.04388	0.2
101.02322	1.3
102.13527	0.1
103.03904	0.5
111.00751	0.2
112.01528	0.1
113.02336	4.4
115.00237	0.1
115.03899	1.2
119.03361	0.2
123.00829	0.1
125.02343	7.1
126.02669	0.1
127.03874	0.1
129.01828	0.1
131.03401	3.0
134.59531	0.1
139.00270	0.2
143.03400	2.5
144.03732	0.1
145.04971	0.4
157.01323	0.5
161.04594	0.1
163.06055	0.5
205.07141	1.1
230.13144	0.1
247.08295	0.1
247.26476	0.1
258.95880	0.1
259.49994	0.1
395.12363	0.1
439.35773	0.1
465.37271	0.3
497.80975	0.1
535.41504	0.2
565.38861	0.9
566.39569	0.2
567.40674	0.2
587.79114	0.1
622.85938	0.1
635.43243	0.2
681.43402	0.3
725.42297	0.1
860.65375	0.1
875.48865	0.1
921.53162	0.2
1003.53430	1.0
1004.52856	0.2
1021.53772	100.0
1022.54041	24.2
1083.57312	0.2
1084.57605	1.3
1085.54675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
76.98270	0.3
83.01248	0.5
85.02819	0.9
87.00746	0.9
89.02319	1.7
90.64504	0.3
91.05399	1.1
93.03345	0.6
95.01263	0.6
95.04910	1.1
97.02802	0.5
99.00779	0.4
101.02341	2.4
103.05418	0.5
105.03332	0.3
108.02048	0.5
109.02815	0.8
113.02314	0.9
116.92742	0.3
119.03408	0.3
119.04893	1.1
121.02861	1.4
121.06490	0.3
122.03630	0.4
125.02294	0.4
129.03348	0.4
133.02797	0.9
133.03763	0.3
135.04390	0.7
137.02347	3.6
139.00319	0.4
139.03891	1.1
143.12042	0.3
144.05757	0.3
145.02878	1.0
145.06422	0.4
146.03607	2.3
147.04425	16.6
148.05225	4.7
149.05952	0.4
152.99614	0.4
158.03632	0.5
159.04439	5.8
160.05217	1.9
161.02357	0.3
161.05978	4.0
162.06569	0.3
163.03926	0.5
164.04672	0.3
167.78880	0.3
169.26410	0.3
171.04376	0.5
172.05200	4.9
173.06006	10.9
174.03140	1.7
174.06779	1.8
175.03909	1.1
175.07434	0.6
176.04700	0.9
183.04443	0.7
183.13855	0.4
185.06009	3.0
186.06786	3.1
187.03937	4.5
187.07579	4.1
188.04668	1.7
188.08257	1.1
189.05482	4.2
191.03398	0.7
192.04248	1.0
196.05240	1.0
197.06017	3.3
198.06758	2.2
199.03911	0.5
199.07587	1.6
200.04726	1.8
200.08360	1.6
201.05513	7.8
201.09050	0.8
202.06042	0.4
204.04308	0.4
209.06097	0.3
209.35071	0.3
211.07529	1.8
211.13274	1.3
212.04739	0.5
212.08322	0.9
213.05417	1.3
213.09081	0.5
214.06271	1.0
215.07095	3.5
215.10579	0.4
216.07870	8.5
217.01369	0.6
217.08307	0.5
217.12320	0.3
218.02174	1.2
218.05797	0.7
221.06636	0.7
224.04797	0.5
225.09137	0.5
227.07123	0.6
227.10635	0.4
232.03725	0.4
239.07202	0.3
240.07895	0.4
241.04906	0.5
241.12311	1.2
242.05870	1.3
245.11804	0.4
253.15982	0.6
255.13899	0.7
255.23285	9.4
256.23682	0.4
257.15472	1.2
260.06958	1.0
267.13800	0.8
268.11121	0.7
269.11874	0.7
269.15448	1.2
279.17532	0.4
283.13443	3.0
284.13937	0.3
285.15012	3.1
295.13568	0.5
295.16986	0.9
297.14954	22.9
298.15210	1.4
299.12875	0.4
300.13632	2.6
301.14227	0.8
308.14322	0.4
311.12970	4.7
311.16409	0.6
312.13556	1.1
313.14377	0.8
313.18079	3.3
315.16046	3.9
316.16153	0.4
321.15021	0.7
323.16489	14.6
324.16840	0.9
325.14368	0.7
325.18134	0.5
329.13733	0.8
330.14514	0.3
331.19095	0.6
339.16052	2.2
340.16364	0.5
341.17572	22.1
342.17746	1.7
349.14337	0.9
357.17032	0.8
359.18591	2.2
360.18903	0.3
367.15549	2.7
385.16623	2.0
397.13431	0.4
403.17825	0.3
411.14520	0.8
630.18964	0.3
644.02258	0.3
739.31482	0.5
757.33142	0.9
783.30591	0.4
817.05157	0.3
827.29779	0.4
951.52686	0.3
965.51996	0.5
977.54333	1.5
978.55762	0.3
993.55597	0.3
995.56091	6.2
996.56006	1.1
1003.52118	0.5
1021.53937	2.9
1022.54877	0.7
1039.54858	16.3
1040.54980	3.6
1047.51746	0.6
1065.52759	14.5
1066.53198	3.5
1083.53809	100.0
1084.54028	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	1083.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01252	1.9
83.87711	0.5
85.02797	1.0
87.00749	1.8
93.03323	0.9
95.01259	0.8
99.00743	0.6
101.02281	0.6
106.14495	0.5
107.00745	0.4
107.01288	4.6
108.02031	1.0
109.02819	1.2
113.02334	0.8
117.03340	1.1
119.04884	1.5
121.02882	2.7
123.04434	0.5
124.01546	0.8
125.02358	0.8
126.66231	0.4
133.02832	0.8
134.03647	1.1
135.04387	0.8
137.02293	1.1
139.00262	0.5
143.04861	1.0
145.02858	1.6
147.00798	0.6
147.04463	3.2
148.01561	0.8
149.02385	0.6
149.05974	0.9
149.99500	0.5
150.03134	0.5
151.00279	16.6
152.00995	0.9
153.01833	0.8
155.04927	0.8
157.06540	0.6
158.03609	0.7
159.04398	1.6
160.01567	0.7
161.02377	2.4
161.05846	0.5
163.00237	0.7
163.03877	2.1
164.00999	0.7
165.01851	0.5
169.01295	1.3
169.02757	0.8
171.04391	2.1
173.02351	0.5
173.05984	0.7
175.03912	2.0
175.07529	0.5
177.01822	0.7
178.99783	6.0
179.03333	0.6
183.04454	2.9
185.02419	1.1
186.03156	1.1
187.00272	0.5
187.03856	2.1
189.01784	0.8
191.03339	1.0
191.05412	0.6
192.00572	0.6
193.01289	0.5
193.05013	1.4
198.03221	1.0
199.03940	6.5
201.01866	1.5
203.03452	1.4
211.03920	1.7
213.01862	1.6
213.05386	0.7
214.02586	2.5
215.03484	3.2
216.00516	0.6
218.02037	0.5
226.02606	1.5
227.03467	9.6
228.03961	0.7
229.01309	1.0
229.04987	1.0
231.03041	0.6
239.03519	0.9
240.04204	0.8
241.01413	8.5
241.04999	0.7
242.02138	4.7
243.02974	15.1
244.03377	1.0
245.00847	4.0
253.01295	0.7
254.02193	1.6
255.02979	23.4
256.03696	2.8
257.00668	0.5
257.04492	1.1
267.07135	1.8
269.00964	0.6
269.04446	0.9
270.01703	11.5
270.04730	0.7
271.02481	53.0
272.02942	4.1
273.03830	0.8
281.00830	0.8
283.02405	3.2
284.03247	5.1
285.04086	9.0
286.04410	0.9
295.02402	0.7
297.04001	0.9
298.01163	3.6
299.01981	52.5
300.02734	49.3
301.03455	14.3
302.03745	0.8
312.02722	1.0
313.03555	13.9
314.04022	2.0
318.03754	1.0
327.01413	5.5
327.04947	1.4
327.08511	0.9
328.02142	1.0
328.05737	4.0
329.06577	1.7
333.09866	1.0
342.03580	1.7
342.07581	1.6
343.04321	1.0
343.08252	12.2
344.08420	1.4
351.10809	2.0
357.06146	10.9
358.06805	2.3
359.07648	0.8
413.10947	1.5
559.14502	1.4
560.14880	1.1
595.05188	1.1
613.06238	0.9
625.09833	2.0
642.10120	1.5
643.10925	6.9
644.11255	0.5
727.23846	0.8
739.17303	4.0
741.18945	18.8
742.19415	2.8
745.25055	2.1
771.22314	2.9
789.23615	1.5
974.34131	0.6
1065.31348	1.6
1083.26099	100.0
1084.26440	23.7
1116.64258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	3.7
85.02861	0.3
89.54608	0.2
95.01256	3.4
99.00762	0.4
101.02311	0.3
107.01271	9.5
108.02081	0.7
109.02837	0.7
111.00771	1.1
121.02842	1.0
123.00049	0.2
123.00781	1.7
124.01565	8.5
125.02361	1.2
137.02333	0.4
137.59744	0.2
139.00279	1.0
141.01813	0.6
143.04912	0.3
147.04413	0.3
148.01512	0.3
149.02373	0.7
151.00276	31.4
152.01064	20.8
152.02336	0.6
153.01758	1.1
155.04906	0.2
159.04453	0.2
160.73027	0.3
161.02357	0.7
163.00288	2.4
164.00996	0.3
169.01347	5.7
169.02795	0.5
171.04431	1.0
175.00401	0.3
175.03911	0.4
177.01761	0.4
178.99782	46.8
180.00096	1.8
185.54927	0.2
187.03957	0.3
190.99875	0.5
191.03337	0.5
191.05415	0.2
192.00537	1.7
193.01370	3.6
197.02379	0.4
198.03094	0.6
199.03964	2.1
200.01118	0.3
201.01819	0.4
203.03470	0.3
206.99324	0.3
211.03969	0.7
213.01868	0.7
214.02592	0.5
215.03491	0.7
223.03831	0.2
225.01903	0.3
226.02652	0.7
227.03442	15.9
228.03772	0.9
229.01384	0.2
229.05020	0.2
231.03065	0.5
237.01909	0.5
239.03426	0.3
241.01392	0.5
242.02214	0.9
243.02937	2.6
245.00912	0.3
253.01396	0.4
254.02110	0.5
255.02954	3.3
255.05650	0.4
256.03680	0.5
257.04407	0.3
259.62100	0.3
266.02472	0.3
267.02997	0.4
269.00873	0.8
270.01630	1.8
271.02463	7.6
272.02975	0.7
279.03015	0.3
280.03925	0.3
281.78754	0.2
282.01630	0.6
283.02448	1.1
288.35086	0.3
295.02542	1.5
296.03116	0.3
298.01379	0.4
299.01968	4.3
300.02701	10.3
301.03384	4.5
305.04587	0.5
312.02615	0.3
313.03555	1.9
317.04333	0.7
328.06012	0.5
329.04538	0.9
331.05972	0.3
332.03174	0.3
333.04050	1.2
334.04953	0.4
342.07388	0.7
343.08359	2.4
344.03131	0.6
345.03989	1.9
346.04651	0.8
347.01813	0.4
347.05579	0.5
348.02606	0.6
349.03616	0.6
351.05298	0.2
357.03870	0.9
358.04865	0.6
359.05493	0.7
360.02722	0.4
361.03131	1.1
362.04050	0.3
363.05222	0.3
371.05905	0.6
372.02603	0.6
373.03320	1.8
374.04056	0.8
375.05066	0.6
377.02811	0.5
378.04010	0.3
385.03342	0.5
387.05325	0.9
388.01959	0.5
388.06168	0.4
389.02454	1.2
389.07251	0.4
390.03506	1.2
391.04257	0.3
399.01227	0.4
400.01813	0.4
401.02863	2.6
402.03528	0.5
403.04327	1.7
404.04950	0.6
405.06406	0.3
406.03299	0.3
413.03064	0.6
414.03320	0.5
415.04480	1.3
416.05301	1.1
417.06265	1.4
418.02756	0.5
418.07281	0.3
419.03931	0.8
421.32571	0.3
427.00821	0.7
431.03958	2.4
431.08307	1.1
432.08987	0.5
433.04913	4.1
434.05716	0.5
443.03513	0.3
445.01932	0.4
445.09192	1.2
446.10413	2.6
447.06949	2.8
448.08002	2.8
449.08856	1.6
451.10248	1.5
457.05603	0.7
461.08890	6.7
462.09430	1.4
463.10123	1.7
472.07947	3.0
473.08719	0.7
475.06635	0.7
476.06940	0.3
491.10504	0.7
523.06677	0.7
539.06134	0.4
541.07629	0.3
551.05396	0.3
553.11316	0.4
567.05908	0.3
569.10669	0.5
575.12158	0.5
578.05078	0.3
581.10712	0.4
583.08746	0.4
595.05011	0.5
597.10455	0.9
607.08789	0.6
610.07721	0.4
613.06372	0.7
624.09430	0.4
625.09912	1.6
628.09717	0.3
642.10254	0.6
643.10901	4.9
644.11115	0.7
741.19073	0.8
951.21869	0.7
1065.24219	1.6
1066.23340	0.4
1083.26184	100.0
1084.26501	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	1.0
85.02832	0.7
87.00733	1.2
88.19631	0.4
89.00219	0.7
93.03343	3.1
95.01270	0.8
98.20576	1.1
99.00740	1.7
100.13114	0.5
101.02299	0.5
107.01254	2.0
108.02055	0.7
109.02860	2.1
114.35822	0.5
119.01213	0.5
119.04879	1.1
120.80764	0.5
121.02862	3.1
123.00745	1.2
124.01559	1.1
125.02331	1.8
131.04919	1.5
134.03636	1.4
135.04451	0.7
137.02368	3.6
138.03113	2.4
143.04930	1.3
145.02875	0.8
145.06465	0.5
146.03638	1.3
147.04424	2.4
148.01593	0.5
151.00256	6.3
153.05478	1.9
157.02846	0.7
159.04425	22.4
159.05760	1.1
160.05174	3.7
161.02342	2.6
161.05998	5.0
163.00322	0.8
163.03906	1.8
164.01094	0.6
169.02702	0.5
171.04456	1.4
172.05107	1.0
173.02402	2.7
173.04451	1.3
173.05963	8.9
173.07330	0.5
174.03099	1.1
174.06262	0.6
175.03925	1.7
178.99802	3.2
185.06129	0.6
186.03162	1.2
187.03929	7.9
189.01854	1.1
191.03558	1.0
191.05528	4.6
193.04927	1.3
197.02399	0.9
197.05898	0.7
198.03120	2.0
199.03891	1.9
200.04605	1.0
201.05434	1.0
202.02660	0.6
203.03479	2.8
204.04132	0.6
205.04929	0.6
209.06107	0.6
210.03137	2.2
211.03970	1.4
211.07526	3.1
213.05521	1.1
214.02657	1.1
215.03496	0.8
217.01265	1.6
219.02896	0.7
221.05937	0.9
223.04031	0.9
223.07587	1.9
225.05524	3.5
226.02686	5.2
227.03430	2.5
228.04198	1.1
229.01357	4.5
229.04961	1.1
230.01990	1.1
233.06146	0.9
234.05429	0.6
237.05467	0.9
237.09372	0.5
238.06302	0.6
239.03470	2.1
239.07100	1.7
240.04091	0.9
241.04974	1.9
241.08699	0.6
242.02158	5.5
243.02911	4.7
243.36238	0.6
245.04489	1.4
248.04788	0.9
249.05524	4.5
250.06117	0.7
251.07100	5.5
253.01440	1.3
253.04948	1.0
253.08551	1.0
254.02161	4.4
254.05734	0.9
255.02966	10.8
256.03503	1.7
257.04501	0.8
257.93854	0.5
261.05508	1.0
264.04077	1.0
265.04953	2.5
266.05649	0.9
267.03012	1.9
267.06403	3.0
268.03699	1.0
268.07126	0.6
269.01422	0.8
269.04526	4.7
269.08121	2.0
270.01675	14.0
271.02454	22.3
271.05603	0.9
272.02911	2.3
275.03598	0.8
276.04251	0.9
277.05048	12.7
278.05624	3.0
279.03491	0.8
279.06635	5.6
280.03818	0.5
280.06940	1.2
281.01212	1.0
281.04544	2.3
281.08002	0.8
282.02344	0.9
282.05276	3.8
283.02481	3.5
283.05811	1.0
284.03210	2.4
284.06891	1.8
285.04059	23.3
286.04364	2.0
286.08456	1.1
287.09174	0.8
292.03894	1.5
293.04544	9.4
294.05286	5.3
295.02686	1.2
295.06088	11.3
296.03479	0.9
296.06604	3.0
297.04077	4.5
297.07675	15.4
298.01184	7.0
298.04526	0.9
298.08209	2.3
299.01797	3.0
299.05609	3.6
299.09244	5.5
300.02740	40.2
301.00195	1.0
301.03458	13.0
303.02924	1.4
304.03717	1.1
305.04550	7.6
306.05170	1.8
307.06076	1.8
307.09534	0.6
308.03281	0.6
308.06827	1.3
309.07556	2.7
310.04926	0.9
310.08319	3.4
311.05963	0.8
311.09167	4.1
312.02710	1.6
312.09995	8.6
313.03531	100.0
314.03882	7.7
319.06180	1.1
320.03156	0.6
320.06683	1.7
321.04047	9.6
321.07687	1.2
322.04822	4.6
322.08292	0.8
323.05673	12.2
323.09256	2.0
324.05939	1.3
324.09824	0.9
325.07144	1.7
325.10797	6.7
326.11340	1.1
327.05176	8.1
327.08765	0.9
327.12283	12.6
328.05862	32.9
328.12543	1.7
329.06326	2.9
333.03906	0.7
335.05563	0.8
335.09210	0.9
336.06369	4.2
337.07111	6.9
338.07916	12.5
339.08496	1.1
339.12338	1.0
343.08200	88.4
344.08514	8.6
348.02856	0.9
349.03525	1.7
350.07983	0.8
351.08694	17.6
352.09079	3.3
353.06009	1.2
353.10300	22.8
354.10562	1.9
363.05002	0.7
364.05927	2.1
369.09937	0.7
371.11398	4.6
379.08185	6.1
380.08749	0.9
393.02747	0.9
395.07895	1.2
396.08356	2.0
397.04056	1.0
397.09229	19.5
398.09518	2.0
408.04749	0.9
413.12534	1.2
415.10272	3.1
423.07169	19.0
424.07468	1.9
439.10568	1.1
441.08316	3.0
443.13495	0.9
469.11197	1.2
475.12088	1.1
487.12442	0.9
511.12158	1.0
513.10345	19.0
514.10663	1.7
529.13483	1.8
545.16425	1.6
571.14600	0.9
573.12408	14.3
574.12860	1.7
589.15430	0.8
595.12976	11.6
596.13550	1.2
603.21368	0.6
615.13544	15.0
616.13690	1.6
619.16608	0.9
629.18317	0.8
631.16827	0.7
645.14575	10.4
646.14648	1.5
647.19885	3.1
673.17462	5.0
674.16772	0.7
675.15668	19.3
675.27130	1.0
676.15747	3.3
691.18860	10.1
691.30658	0.7
692.19415	1.2
699.15918	1.1
717.16711	27.5
718.17206	4.8
735.17761	29.7
736.18005	5.4
741.17175	1.8
777.21167	0.6
800.22534	0.5
905.21497	7.0
906.21448	1.7
1061.25671	3.7
1062.25439	1.1
1079.26636	39.9
1080.26892	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	1081.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	5.5
79.01791	0.2
81.03346	0.2
83.01248	1.3
85.02825	7.5
85.99973	0.7
87.00751	5.5
87.04403	1.1
89.02317	2.6
95.01265	8.8
97.02831	0.9
99.00757	8.1
99.04370	0.2
101.02325	5.1
103.03895	0.8
111.00759	0.6
111.04417	0.2
113.02327	6.1
115.03904	1.3
116.32537	0.2
119.03387	0.5
119.04868	0.4
121.02856	0.2
123.00770	7.7
125.02336	1.9
127.43085	0.2
129.01772	0.3
131.03397	2.5
133.02820	0.2
137.02391	0.2
139.00232	0.4
141.01839	2.2
143.03398	2.9
145.04982	0.6
146.03566	0.2
147.04356	0.5
157.01277	0.5
161.04535	0.5
163.06009	0.8
167.51317	0.2
171.10161	0.3
191.03459	0.3
192.03915	0.2
205.07072	1.5
205.12697	0.2
209.11760	0.3
223.22101	0.2
257.04184	0.2
268.14014	0.2
309.20682	0.3
317.57391	0.2
328.05511	0.2
509.40204	0.2
611.38654	0.2
728.05597	0.2
978.51031	0.3
1031.52515	2.5
1032.52661	0.4
1049.53271	100.0
1050.53552	21.0
1081.56177	4.8
1082.57007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	3.4
85.70925	0.2
87.00758	0.4
95.01262	2.7
96.02044	0.3
98.20613	0.4
107.00538	0.6
107.01275	11.8
108.02096	0.6
109.02863	0.5
111.00800	1.2
113.02374	0.4
121.02847	0.8
123.00764	2.0
124.01557	8.6
125.02322	1.0
135.00787	0.6
139.00261	0.8
141.01759	0.4
143.04895	0.3
148.01607	0.2
149.02356	0.8
151.00276	32.6
152.01060	18.8
152.02356	0.5
153.01706	0.9
161.02417	0.5
163.00262	2.2
164.01045	0.4
165.01782	0.3
169.01347	5.6
169.02785	0.3
171.04453	1.1
177.01898	0.3
178.99786	41.5
180.00142	1.7
183.04413	0.5
185.02402	0.3
190.99792	0.3
192.00587	1.4
193.01370	3.1
194.01723	0.3
198.03172	0.8
199.03926	2.2
203.03386	0.3
205.01350	0.3
206.99338	0.4
208.00055	0.5
209.00754	0.4
210.03142	0.3
211.03954	0.4
213.01903	0.5
214.02682	0.8
215.03490	0.7
225.02031	0.3
226.02655	1.2
227.03458	15.0
228.03886	0.8
229.01498	0.4
230.02342	0.3
231.02931	0.4
235.64760	0.2
239.03278	0.3
241.01385	0.7
242.02135	0.8
243.02939	3.1
253.01395	0.4
254.02243	0.7
255.02960	4.3
256.03558	0.7
267.02960	0.7
268.03729	0.3
269.00821	1.0
269.03906	0.3
270.01801	1.1
271.02472	7.7
272.02963	0.7
282.01660	0.5
283.02496	0.9
289.05048	0.5
293.04547	0.3
295.02435	1.7
296.03259	0.5
297.00479	0.2
299.02014	3.6
300.02740	8.9
301.03406	3.6
305.04453	0.3
306.05026	0.3
309.04007	0.3
313.03629	0.8
317.04611	0.8
318.05310	0.3
320.03195	0.3
321.03986	0.4
329.04562	0.7
330.05307	0.3
331.05917	0.3
332.03329	0.4
333.04062	1.2
334.04684	0.4
342.07474	0.8
343.02365	0.3
343.08395	0.5
344.02911	0.5
345.04150	1.6
346.04733	1.1
347.05557	0.3
348.02661	0.5
349.03500	0.5
355.06213	0.3
356.03323	0.5
357.04050	1.0
358.04697	0.5
359.01840	0.4
359.05750	0.7
360.02615	0.4
360.06494	0.4
361.03485	1.0
361.07437	0.5
362.04312	0.6
371.05795	0.5
372.02658	0.6
373.03458	2.5
373.07556	0.3
374.04126	1.0
375.05023	0.9
385.03253	0.5
386.03989	0.3
387.05106	1.2
388.01813	0.4
388.06198	0.5
389.02438	1.3
389.06992	0.7
390.03760	1.3
401.02774	2.1
402.03528	0.5
403.04446	2.2
403.08276	0.2
404.05054	0.4
405.06232	0.3
413.02902	0.7
415.04443	1.4
416.05389	1.2
417.06180	0.9
418.07327	0.4
429.06058	0.4
431.03922	2.3
431.08130	1.5
432.08435	0.7
433.05099	4.2
433.10461	0.4
434.05627	0.3
443.04077	0.4
445.09320	0.8
446.10861	1.5
447.06967	2.7
448.07843	1.8
449.08771	0.5
451.10391	1.0
453.05951	0.3
457.05597	0.7
461.08847	6.1
462.09055	1.4
463.10419	1.5
472.07883	2.1
473.08780	0.7
491.10278	0.8
495.07507	0.3
523.06964	0.6
551.06848	0.2
567.05743	0.3
575.12091	0.5
577.03967	0.4
581.10651	0.4
595.05383	0.4
597.10272	0.6
607.08264	0.3
613.06854	0.5
624.08636	0.4
625.09839	1.2
626.09869	0.5
642.10156	0.5
643.10956	4.6
644.10785	0.8
741.18951	1.0
951.21948	0.8
992.67200	0.3
1047.32874	0.2
1062.79993	0.3
1065.25159	1.9
1066.27161	0.4
1083.26184	100.0
1084.26563	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	1069.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00745	7.3
79.01753	0.1
81.03326	0.3
83.01248	1.6
83.04873	0.2
85.02824	12.2
85.99969	1.1
87.00748	4.8
87.04395	1.5
89.02318	1.6
95.01264	19.2
96.01596	0.4
97.02829	3.1
99.00759	10.9
99.04401	0.5
100.01108	0.2
101.02316	2.0
103.03894	0.6
111.00761	1.2
112.01530	0.5
113.02334	7.0
114.02522	0.1
115.00259	0.3
115.03896	1.9
116.71612	0.1
119.03387	0.3
123.00771	22.5
124.01128	0.4
125.02351	0.9
127.03904	0.4
129.01813	0.2
131.03394	4.2
137.02313	0.2
139.00284	0.4
140.01070	0.5
141.01830	1.4
143.03404	2.8
145.04971	0.5
155.03406	0.4
156.61942	0.1
157.01338	0.6
163.06056	0.7
205.07098	1.5
247.08173	0.1
284.39050	0.1
390.66360	0.1
439.35815	1.4
440.36224	0.2
441.37192	0.2
509.39844	0.3
755.44226	0.2
833.50073	0.2
835.37207	0.1
877.50726	0.2
895.50598	1.4
896.50903	0.4
912.32428	0.1
921.54749	0.1
1019.52374	4.1
1020.52911	0.8
1025.57007	1.9
1026.56848	0.3
1033.53552	1.3
1034.53638	0.4
1051.54797	100.0
1052.55066	24.3
1069.55640	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	1079.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	1.0
85.02824	0.6
87.00750	1.1
89.02332	0.8
93.03344	1.9
95.01273	1.0
99.00754	1.5
101.02319	0.6
107.01294	1.5
108.02066	1.0
109.02847	1.8
111.00768	0.7
115.05300	0.4
119.04877	1.2
121.02865	3.3
123.00774	1.7
123.04363	0.7
124.01540	0.9
125.02382	2.2
129.78853	0.5
130.04105	0.5
131.04945	1.0
134.03607	1.6
135.04430	0.6
137.02361	2.3
138.03131	1.6
139.16504	0.4
143.04901	1.2
145.02867	0.8
145.06386	0.5
146.03642	0.8
147.04404	2.2
148.01469	0.5
149.05969	0.6
151.00273	4.8
151.03864	0.6
152.04703	0.8
153.05501	1.5
157.02823	0.8
158.03719	0.7
159.04425	22.6
159.05753	1.1
160.05219	3.4
161.02376	2.5
161.05969	6.6
163.03911	2.5
171.04477	0.8
172.05176	0.7
173.02362	2.7
173.04533	1.2
173.05988	9.7
174.03145	1.3
174.06401	0.5
175.03914	1.9
176.00975	0.5
178.99806	2.8
184.01675	0.5
185.02397	0.8
186.03099	1.3
187.03944	8.2
188.04535	0.6
191.03737	0.8
191.05542	3.8
193.04967	1.4
197.02322	1.0
198.03116	1.6
199.03935	1.9
201.01868	0.6
201.05420	0.6
203.03473	3.0
204.04167	0.8
209.06090	0.9
210.03130	1.8
211.03947	1.4
211.07500	2.2
213.05515	0.9
213.09256	0.5
214.02605	1.0
217.01389	2.0
217.04878	0.6
221.05963	0.8
223.07637	1.4
225.05482	3.5
226.02678	5.2
227.03319	2.7
228.04092	0.7
229.01366	6.6
229.04912	0.7
230.02115	1.6
231.02879	0.6
233.06076	0.7
236.04782	0.5
237.05582	0.8
239.03407	2.7
239.07158	0.9
240.04152	0.5
241.04985	2.2
242.02213	5.3
243.03003	3.3
245.04472	1.2
247.03903	0.6
249.05569	3.0
249.07779	0.8
250.06195	0.9
251.03506	1.0
251.07100	6.5
253.01418	0.6
253.05020	1.6
254.02177	4.5
255.02968	7.5
256.03525	1.4
257.04562	0.9
261.05576	0.8
264.04227	1.0
265.05045	3.0
265.08582	0.6
266.05865	1.0
267.02927	1.3
267.06516	2.3
268.03812	0.7
268.07245	0.6
269.01227	0.9
269.04541	3.6
269.08136	1.5
270.01694	13.4
270.04681	0.7
271.02484	15.4
271.05914	1.3
272.03043	2.0
272.06250	0.6
275.03458	1.3
276.04300	1.4
277.05054	13.5
278.05777	2.9
279.03555	0.7
279.06607	5.6
280.07077	0.8
281.00949	1.3
281.04507	2.5
281.07520	0.5
282.02386	0.8
282.05270	4.1
283.02411	2.8
283.05737	1.0
284.03189	2.5
284.06924	2.5
285.04050	21.9
286.04340	2.0
286.08347	0.7
291.06598	0.7
292.03726	1.3
292.07129	0.5
293.04568	9.3
293.07916	1.0
294.05365	4.2
294.08618	0.8
295.02686	1.3
295.06079	11.1
296.03586	0.8
296.06870	2.9
297.04068	4.9
297.07684	16.4
298.01163	6.6
298.08206	1.7
299.01898	1.7
299.05640	3.0
299.09274	6.9
300.02750	27.7
301.03503	12.0
303.02893	1.5
304.03638	1.1
305.04578	6.8
306.05203	2.0
307.06046	2.1
308.06747	1.2
309.07571	2.7
310.05048	0.8
310.08426	3.9
311.09204	4.6
312.02756	2.0
312.06381	0.8
312.10034	9.2
313.03546	93.7
314.03903	6.5
319.06061	1.3
320.03415	1.1
320.06815	1.5
321.04123	6.9
321.07532	1.1
322.04758	4.7
322.08481	1.3
323.05655	14.1
323.09213	2.2
324.06219	1.0
324.09650	0.9
325.07080	2.2
325.10812	7.9
326.11282	1.8
327.05179	8.5
327.09308	0.6
327.12335	14.6
328.05878	39.4
328.12460	1.4
329.06317	3.2
333.03967	0.6
335.05603	1.2
335.09265	0.7
336.06375	5.0
337.07162	6.3
338.07932	13.9
339.08362	1.4
339.12228	0.6
341.10080	0.6
343.08215	100.0
344.08597	8.3
349.03503	1.1
350.07901	0.7
351.08694	22.3
352.09311	3.0
353.10318	24.8
354.10648	2.7
355.08301	0.7
363.04800	0.5
364.05844	1.9
369.09805	1.2
371.11285	4.6
379.04044	0.5
379.08374	6.7
380.04938	0.8
382.06824	0.7
393.02481	0.6
395.07690	1.6
396.08481	1.3
397.09293	24.1
398.09564	1.9
407.04025	0.5
408.04889	1.9
411.10965	0.7
413.12387	1.4
415.10284	4.2
422.06470	0.9
423.07193	24.1
424.07529	1.5
439.10474	1.0
441.07986	3.1
442.08347	0.6
443.13498	1.0
457.11273	0.7
469.11563	1.1
475.12064	0.7
487.12820	2.2
513.10376	20.1
514.10779	2.0
517.13519	1.3
529.13599	2.5
545.16962	1.3
571.14874	0.8
573.12402	16.5
574.13190	1.7
577.15472	0.6
589.15723	2.0
595.13000	9.2
596.13586	0.8
615.13574	15.3
616.13782	1.9
619.16425	1.1
631.16473	1.4
645.14581	11.7
646.14899	1.9
647.20038	4.5
648.21008	0.7
657.14728	0.8
673.17401	3.9
674.16162	0.7
675.15637	22.6
676.16089	2.9
691.18811	11.6
692.19220	1.3
699.15680	1.7
717.16766	29.6
718.16998	5.0
735.17761	30.0
736.17896	5.4
741.16510	1.6
777.22400	0.7
905.21442	6.5
906.22040	1.5
1034.02075	0.5
1061.25525	4.1
1062.26978	0.9
1079.26709	36.2
1080.27307	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	1069.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00640	9.8
75.01113	1.2
83.01143	3.3
84.01972	0.3
85.02707	16.8
85.03275	1.8
85.99837	0.9
86.03078	0.3
87.00633	6.6
87.01202	0.7
87.04275	1.9
87.80240	0.2
89.02195	6.7
89.03095	0.3
91.06300	0.2
95.01134	3.2
97.02737	0.5
99.00623	11.5
99.01336	1.1
100.00972	0.3
101.02188	8.5
101.02906	0.8
103.03737	0.9
111.00628	0.6
112.01460	0.4
113.02184	8.6
113.03049	0.8
115.00193	0.3
115.03743	2.0
119.03313	0.3
123.00630	0.9
125.02198	0.6
131.03400	5.8
131.04276	0.4
139.00122	0.7
143.03410	3.8
145.04724	0.8
146.03551	0.3
157.01178	1.0
163.05836	0.9
163.07106	0.3
171.07948	0.3
172.05022	0.4
185.05885	0.3
186.06551	0.3
187.07390	0.4
200.04649	0.4
201.08987	0.7
205.07127	2.8
209.11584	0.4
211.13156	0.4
225.09303	0.3
229.08539	0.3
243.10027	0.9
247.08061	0.3
258.55246	0.2
267.50198	0.2
343.07910	0.3
415.92569	0.3
491.39218	0.3
523.38092	3.7
524.37982	0.5
593.41949	1.4
773.44696	0.4
961.51996	1.6
962.51190	0.4
979.52740	58.8
980.52979	11.5
1051.54834	6.2
1052.55066	1.6
1069.55859	100.0
1070.56140	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02814	0.4
89.00194	0.6
89.02319	0.4
91.01759	0.3
93.03361	0.5
95.01288	0.5
99.00784	0.6
101.02297	0.4
102.72616	0.3
106.00489	0.4
109.02830	1.7
117.03361	0.3
119.03272	0.3
119.04961	0.4
120.43424	0.3
121.02847	2.4
123.00800	2.1
123.04446	0.3
124.01539	1.0
125.02347	1.7
130.04175	0.4
131.04942	1.5
133.06557	0.3
134.03644	0.4
137.02356	2.9
138.03133	2.5
139.03934	0.4
143.04904	0.9
145.02884	0.7
145.06549	0.7
146.03627	1.2
147.04417	2.8
149.02379	0.5
149.04497	0.6
151.00288	1.2
151.03946	0.4
152.04701	0.7
153.05516	1.1
157.02887	1.2
158.03659	0.7
159.04428	24.6
160.05183	3.4
161.02354	1.7
161.05992	6.1
162.06364	0.4
162.89699	0.3
163.00345	0.3
163.03922	2.4
164.04683	0.4
171.04439	1.1
172.05220	1.4
173.02354	3.1
173.05997	9.6
174.03099	1.3
174.06337	0.6
175.00273	0.5
175.03911	3.3
176.01149	0.5
177.01834	0.4
185.02373	0.7
185.06123	0.5
186.03192	0.9
187.03929	3.6
189.01869	0.4
189.05481	0.5
190.02641	1.0
191.03467	0.9
191.05450	0.7
193.04999	0.5
193.06598	0.4
197.02444	0.5
197.05945	0.7
198.03157	1.5
199.03949	2.5
200.01093	0.5
200.04636	1.1
201.01845	0.7
201.05545	0.7
202.02672	1.4
203.03473	2.4
204.04114	0.5
205.04991	1.0
209.06003	0.9
210.03168	2.0
211.03749	1.5
211.07545	0.7
213.01942	0.4
213.05435	0.9
214.02647	1.3
215.03389	0.7
217.01338	2.7
217.04915	0.6
219.02861	1.9
221.06018	1.0
223.03998	0.7
223.07602	2.4
224.04703	0.7
224.08037	0.4
225.01913	0.5
225.05504	3.1
225.09242	0.7
226.02681	4.1
227.03473	2.0
228.04140	0.9
229.01353	3.9
229.05075	0.7
230.02190	1.4
233.06020	1.1
235.04086	0.5
235.07498	0.7
236.04712	0.5
237.05482	1.9
238.06155	0.5
239.03499	1.7
239.07082	2.5
240.04213	0.7
241.05017	2.2
241.08684	0.6
242.02144	4.5
243.02963	1.6
247.04126	0.4
248.04735	1.1
249.05542	7.0
250.06206	2.0
251.03311	0.6
251.04190	0.4
251.07121	8.4
252.07637	0.4
253.01393	0.7
253.04982	1.2
253.08760	0.6
254.02194	3.5
254.04819	0.4
254.05901	0.5
255.03018	2.7
256.03625	1.2
257.04562	0.7
261.05554	1.8
262.06314	0.7
263.03525	0.5
263.07043	0.5
264.04202	1.2
265.05032	3.3
266.05905	0.7
267.02951	1.2
267.06641	3.3
268.03668	0.9
268.07089	0.4
269.01056	0.8
269.04697	1.7
269.08066	2.2
270.01697	12.0
270.04605	0.5
271.02417	4.4
271.06116	2.3
272.03049	0.4
273.00452	2.2
275.03448	1.6
276.04163	1.8
277.05063	17.7
278.05640	4.1
279.03220	0.7
279.06625	6.9
280.03909	0.7
280.07367	1.3
281.00931	1.5
281.04568	2.1
281.07797	0.5
282.01666	0.9
282.05328	2.7
283.02472	3.0
283.05942	0.8
284.03268	1.8
284.06674	0.5
285.04053	20.4
286.04376	1.2
286.08386	0.7
287.09030	0.4
289.05151	0.8
290.05872	0.5
291.06720	0.6
292.03775	1.4
292.07059	0.4
293.04608	9.6
293.07944	0.7
294.05292	5.0
294.08618	0.6
295.02682	0.7
295.06088	10.5
296.06696	2.0
296.10168	0.5
297.00647	0.7
297.04071	4.2
297.07690	12.1
298.01276	5.3
298.04642	0.8
298.07971	0.7
299.02057	0.7
299.05597	2.7
299.09222	1.0
300.02753	5.7
300.06033	0.7
301.03378	1.5
303.03168	1.6
304.03757	1.0
305.04559	9.0
306.05276	1.9
307.06073	2.7
308.06866	1.0
309.04221	0.5
309.07733	2.3
309.11072	0.6
310.08444	3.7
311.05664	0.7
311.09183	1.9
312.02838	1.6
312.06458	0.8
312.10022	7.0
313.03546	81.4
314.03864	6.6
319.02481	0.5
319.06119	2.0
320.03339	0.6
320.06900	0.8
321.04080	9.1
321.07526	0.9
322.04776	5.9
322.08411	1.2
323.05640	12.5
323.09195	1.6
324.06027	1.9
324.09647	0.6
325.07150	1.2
325.10825	5.2
327.05215	5.8
327.09186	0.8
327.12347	20.1
328.05865	27.6
328.12579	1.7
329.06241	2.5
333.04019	0.6
335.05569	0.4
335.09149	0.4
336.06406	4.5
337.07166	8.8
338.07919	12.2
339.08344	1.1
341.10086	0.5
343.08215	100.0
344.08548	8.0
347.05591	0.4
348.02747	1.1
349.03427	1.7
349.07205	0.5
351.08725	17.2
352.09280	2.5
353.10309	27.6
354.10800	3.0
355.08374	0.4
363.05078	1.3
364.05933	2.8
365.02600	0.5
365.06564	0.7
366.07385	0.4
367.04205	0.4
369.09619	1.6
371.11377	10.4
372.11874	1.2
379.08228	10.6
380.08661	1.4
381.05383	0.5
381.09744	4.0
382.10684	0.4
383.07602	0.6
385.09177	1.1
393.09943	0.4
395.07147	2.7
395.12097	0.6
396.08221	1.1
397.09268	20.6
398.09705	2.0
408.04874	1.4
413.08417	0.7
415.10333	3.1
423.07214	45.7
424.07584	5.1
439.10339	1.3
441.08188	4.5
459.09357	1.2
465.08264	1.0
483.09314	8.7
484.09683	0.7
595.12946	2.0
619.16669	0.5
631.16650	0.4
637.17883	3.1
638.18433	0.6
647.19751	3.7
648.19604	0.6
673.17542	0.8
675.15485	3.1
676.16400	0.6
691.18787	9.0
692.19214	1.1
717.16846	6.3
718.17517	0.9
735.17780	47.2
736.18036	6.8
798.23730	0.4
885.08319	0.4
905.21497	1.2
991.28998	1.3
1035.27112	1.7
1061.25403	2.5
1061.62280	0.5
1062.25049	0.7
1079.26685	21.6
1080.26917	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	1067.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	8.9
75.07145	0.3
83.01269	2.2
85.02825	16.6
85.99973	1.8
87.00756	5.8
87.04401	1.6
89.02313	2.0
95.01266	2.5
96.99186	0.5
97.02847	0.4
99.00758	11.4
101.02321	3.3
101.81377	0.3
103.03881	1.2
110.51318	0.2
111.00756	1.2
113.02333	7.6
115.00225	0.6
115.03922	1.8
119.03309	0.3
125.02344	0.4
129.01834	6.9
129.83601	0.3
131.03391	5.7
137.05734	0.3
139.00253	0.5
143.03400	4.0
145.04974	0.8
157.01338	0.8
163.06049	1.1
165.45204	0.3
165.57053	0.3
205.07069	2.0
247.08061	0.4
299.02036	0.3
309.21088	0.3
331.18753	0.5
340.90613	0.3
343.08188	0.3
551.37842	2.3
621.41406	0.8
805.37769	0.3
989.51550	1.0
1007.52246	29.8
1008.52515	6.5
1049.53577	2.5
1050.53528	0.6
1067.54285	100.0
1068.54688	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00747	6.4
81.03345	0.2
83.01260	1.6
83.04910	0.2
84.02030	0.1
84.60635	0.1
85.02290	0.2
85.02824	9.8
85.99969	1.0
87.00750	4.6
87.04390	1.3
89.02322	1.3
95.01261	13.9
96.01579	0.2
96.51406	0.1
97.02834	2.3
98.20612	0.3
99.00755	8.2
99.04387	0.5
101.02317	1.9
103.03883	0.8
111.00751	0.8
112.01566	0.5
113.02330	5.1
115.00256	0.3
115.03911	1.6
123.00769	17.6
124.01108	0.3
125.02325	0.9
127.03907	0.2
129.01842	0.1
131.03392	3.4
131.04385	0.2
139.00247	0.2
140.01077	0.5
141.01828	0.9
143.02350	0.2
143.03397	2.4
145.04956	0.5
155.03389	0.3
157.01306	0.6
163.06055	0.7
205.07072	1.3
217.17543	0.1
247.08209	0.2
268.03812	0.1
283.06342	0.1
291.52917	0.1
439.35959	0.9
441.37210	0.2
588.16504	0.2
687.44073	0.2
755.43628	0.3
833.50555	0.2
893.50275	0.2
895.50513	0.9
896.50842	0.2
1019.52350	2.6
1020.52014	0.6
1025.56873	2.3
1026.57385	0.6
1033.53772	1.5
1034.54797	0.3
1051.54773	100.0
1052.55103	25.8
1069.56445	1.1
1070.55322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00746	10.8
75.01131	0.6
83.01254	3.9
85.02825	18.3
85.99971	1.5
86.03122	0.3
87.00749	7.6
87.04392	2.5
89.02317	7.0
95.01261	3.4
97.02756	0.7
99.00757	13.3
99.01347	0.6
99.04330	0.4
101.02323	8.7
101.02948	0.3
102.02579	0.2
103.03899	1.2
109.02746	0.3
111.00672	0.6
112.01474	0.4
113.02332	9.2
113.03059	0.4
115.00186	0.4
115.03887	2.5
119.03315	0.5
121.02754	0.2
123.00661	0.6
125.02233	0.3
127.03804	0.2
129.01773	0.2
131.03395	6.8
139.00136	0.5
143.03406	4.3
143.04457	0.2
145.02654	0.2
145.05002	1.0
147.04350	0.2
157.01320	1.1
159.04350	0.2
161.04308	0.2
161.66103	0.2
163.06052	1.4
172.05101	0.2
173.05925	0.2
199.07523	0.2
201.09158	0.3
201.11078	0.2
205.07120	2.7
209.11699	0.5
211.13222	0.2
213.05438	0.2
229.08478	0.2
243.10042	0.2
247.08046	0.5
293.21216	0.2
523.37915	3.8
524.38232	0.7
593.42102	1.2
594.42126	0.4
637.40668	0.2
683.41693	0.4
773.45154	0.4
833.46674	0.2
877.49677	0.4
961.51544	1.5
962.52484	0.5
979.52722	63.7
980.53015	14.2
1051.54932	4.6
1052.55139	0.9
1069.55847	100.0
1070.56201	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	4.1
75.53790	0.1
78.71346	0.1
81.03296	0.1
83.01257	1.6
84.02045	0.2
85.02827	8.1
85.99971	0.8
87.00755	3.1
87.04397	0.7
89.02312	1.1
95.01265	1.2
97.06482	0.1
99.00764	6.5
101.02332	1.4
103.03878	0.4
112.01576	0.3
113.02332	4.8
115.00253	0.3
115.03906	1.0
119.03350	0.3
121.02837	0.1
125.02320	0.2
129.01849	0.2
131.03403	2.6
139.00279	0.3
143.03406	1.8
145.04936	0.4
147.04410	0.4
148.05014	0.2
157.01341	0.6
163.06027	0.5
169.40007	0.1
193.04861	0.2
205.07130	1.1
297.03470	0.1
343.08121	0.2
405.31512	0.2
423.32718	0.3
426.54819	0.1
437.34424	0.2
439.35898	0.8
465.37213	0.7
485.36688	0.1
491.35406	0.1
509.39673	0.2
541.38947	0.3
543.40564	0.2
599.39490	0.3
611.43359	0.2
657.43384	0.1
701.42926	0.4
780.02747	0.1
789.47815	0.3
921.51563	0.6
935.53925	0.3
979.52643	1.2
997.53790	100.0
998.54108	19.4
1042.45703	0.2
1060.52441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00757	54.9
121.23190	20.3
141.43396	18.7
147.04430	26.4
209.11830	44.1
231.15846	20.3
257.66306	20.6
265.08838	18.5
291.19693	29.1
293.21329	48.0
309.20816	100.0
327.21735	22.6
343.08163	26.7
500.30139	20.0
513.10571	20.2
612.86603	19.9
641.87042	20.0
849.95319	20.7
1064.50037	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
76.50087	0.7
85.07751	0.5
87.00758	9.5
89.02332	1.5
91.01782	1.4
91.54268	0.5
93.03360	1.1
95.01307	0.6
99.00789	0.8
108.02058	6.0
109.02832	6.3
111.00796	0.9
116.49851	0.6
117.03410	0.7
119.04962	0.8
121.02882	2.2
121.11266	0.5
121.50018	0.6
122.03638	1.7
123.00774	1.0
123.04399	4.5
125.02351	1.0
129.03398	0.7
131.04935	1.7
132.02052	0.7
133.02879	0.9
134.03642	2.3
135.04445	2.0
136.01602	0.8
137.02338	1.9
138.03087	0.7
143.04945	1.3
145.02866	3.1
145.06474	1.0
146.03619	4.0
147.04451	8.1
148.05179	0.6
149.02386	1.0
149.04904	0.7
149.05956	3.5
150.03169	0.8
151.00360	1.0
158.03615	0.6
159.04439	35.2
160.01575	2.5
160.05223	6.4
161.02374	8.7
161.06013	10.2
162.03154	4.3
163.03960	2.2
164.04648	0.8
165.05690	0.7
167.03311	0.5
171.04471	1.6
172.05251	1.9
173.02379	6.8
173.04533	0.5
173.06001	11.5
174.03127	3.9
175.03941	15.9
176.04712	4.6
177.01869	1.0
177.05505	0.9
185.06071	1.0
186.03088	1.0
187.03955	6.6
188.04742	2.2
189.01884	1.4
189.05515	3.7
190.02698	1.0
191.03448	1.6
191.05562	1.9
193.05002	2.5
195.04550	0.7
197.05988	1.1
198.03120	1.5
199.03899	2.8
201.01799	1.1
201.05576	1.0
202.02614	1.3
203.03395	4.9
204.04185	2.4
205.04976	0.7
209.06044	2.0
210.03123	2.8
210.06842	0.7
211.04021	1.1
211.07594	0.9
212.04668	0.9
213.02025	0.7
213.05530	4.0
214.02705	1.8
215.03462	1.5
217.05049	2.5
219.06566	1.3
223.04018	1.1
223.07779	0.8
224.04762	1.3
225.05502	5.5
226.02705	3.9
226.06258	1.4
227.03470	1.3
227.07130	1.2
229.01379	3.9
229.04999	1.1
230.02170	1.0
236.04716	1.1
237.05559	5.9
238.06377	3.2
239.03438	2.1
239.07204	2.3
240.04333	2.8
241.05075	9.7
242.02176	6.3
242.05672	1.4
243.03055	1.6
245.04434	0.8
248.04736	0.7
249.05609	1.5
250.06332	1.2
251.03412	0.9
251.07072	2.2
252.04291	1.1
252.07835	1.3
253.01385	1.2
253.05061	10.4
254.02219	3.4
254.05875	12.3
255.03090	1.6
255.06593	10.0
256.07410	10.1
257.04639	0.8
257.07986	1.1
261.05530	3.2
262.06332	1.6
263.03497	1.3
263.07111	2.3
264.04327	2.6
264.07690	0.8
265.05063	7.2
265.08102	0.8
266.05841	9.1
267.03210	1.2
267.06607	9.9
268.03833	1.3
268.07272	2.7
269.04626	2.3
269.08228	8.0
270.01721	14.3
270.08621	0.8
271.02286	2.1
271.09790	5.4
273.00354	1.5
277.05112	2.5
278.05774	3.7
279.06677	11.8
280.03842	2.1
280.07407	9.0
281.01349	0.9
281.04584	15.1
281.08197	6.9
282.02185	0.8
282.05341	15.8
282.08966	12.1
283.02472	2.7
283.06036	2.6
283.09174	1.1
284.03229	2.7
285.04071	25.0
286.04312	2.0
289.05115	2.3
290.05850	3.1
291.06647	2.7
292.03851	1.2
292.07233	1.4
293.04733	1.6
293.08167	1.2
294.09183	0.7
295.06143	14.5
295.09756	5.8
296.06888	14.1
296.10040	0.7
297.04102	5.6
297.07697	27.3
297.11340	23.7
298.01208	6.9
298.04361	0.8
298.04932	0.8
298.08377	5.7
298.11603	1.2
299.01953	0.7
299.05649	2.6
299.09250	2.4
300.02777	1.6
305.04755	1.4
305.08023	1.1
306.05249	6.0
307.06134	20.1
308.06903	17.5
309.04053	1.4
309.07043	1.1
310.04886	0.9
311.05475	1.1
311.09149	1.2
312.02676	1.9
312.06253	0.7
312.09973	1.4
313.03561	100.0
313.10818	15.0
314.03986	5.9
314.11346	1.4
321.07773	9.9
322.08194	1.4
323.05566	1.6
323.09241	25.9
324.06259	3.8
324.09744	1.8
325.07129	6.2
326.07962	0.9
327.05109	7.9
328.05887	29.4
329.06354	2.7
333.03949	0.9
334.04813	1.7
336.06305	0.8
339.08762	24.9
340.09061	1.9
341.10312	21.9
342.10675	1.4
343.08234	85.8
344.08585	6.4
349.07153	4.7
351.08206	3.1
353.10385	0.8
355.08218	0.8
357.09842	9.8
358.10245	0.7
367.08252	25.3
368.08453	1.6
369.06125	5.2
369.10522	0.8
383.07214	0.7
385.09286	11.6
385.16849	1.4
386.09439	0.9
391.08093	0.7
393.06216	17.9
394.06592	1.9
399.10852	7.0
403.10278	4.1
409.09296	1.6
411.07230	26.1
412.07553	2.0
427.10291	4.2
429.08292	29.8
429.15228	2.2
430.08517	2.1
447.09219	3.3
453.08252	8.2
471.09241	2.4
591.17126	2.5
609.10229	1.9
637.17926	3.1
645.14514	3.9
651.19537	7.4
652.19153	0.7
661.17065	0.9
663.15662	2.5
664.16229	0.7
679.18854	2.5
681.16608	2.6
687.15509	0.8
705.16718	27.8
706.16797	3.7
723.17828	74.8
724.18195	10.3
735.37640	0.7
1023.34869	1.1
1067.26563	35.1
1068.26550	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	1057.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02399	0.2
73.02819	4.8
75.00745	8.3
79.73364	0.2
81.03316	0.2
83.01253	2.4
83.30364	0.2
84.02023	0.2
85.02825	11.9
85.99978	1.2
87.00752	5.5
87.04404	1.2
89.02324	1.7
93.03300	0.2
95.01265	2.0
97.02830	0.5
99.00759	9.4
99.04418	0.3
101.02328	7.6
102.02634	0.2
103.03867	0.7
109.02859	0.3
111.00765	0.5
112.01577	0.3
113.01525	0.4
113.02331	8.3
115.00266	0.4
115.03906	2.1
119.03427	0.4
119.04881	0.3
121.02850	0.5
122.03635	0.3
123.00658	0.2
125.02345	0.4
127.03932	0.3
129.01811	0.3
131.03400	4.0
133.02858	0.3
134.03613	0.5
137.02341	2.3
139.00301	0.4
139.03911	0.3
143.03406	3.5
145.04938	0.7
147.04425	3.3
148.05267	1.2
149.02361	0.3
149.05927	0.4
151.00230	0.3
157.01328	0.8
159.02887	0.5
159.04282	0.3
161.02318	0.5
161.04497	1.0
161.05757	0.2
163.03923	0.3
163.05995	0.7
165.01862	0.7
165.05487	0.3
166.02611	0.4
171.04427	0.2
173.06116	0.2
175.03912	0.3
178.02539	0.2
179.03432	0.3
180.04211	0.4
181.04979	0.5
188.04564	0.2
189.01706	0.4
191.03471	0.3
191.05534	0.3
192.04211	1.4
193.04958	0.7
195.06541	0.6
200.14090	0.2
205.07106	1.6
225.07523	0.4
236.03195	0.9
248.26398	0.2
255.02859	0.2
285.04260	0.3
287.21167	0.2
297.14618	0.2
299.01929	0.2
300.02737	0.3
313.03503	0.5
328.05759	0.4
333.09833	2.1
343.08173	0.6
351.05258	0.2
357.06161	0.7
357.09958	0.2
358.06729	0.3
375.11182	0.3
417.15616	0.4
433.82718	0.2
439.35657	0.3
502.80695	0.2
518.66693	0.2
585.59436	0.2
761.45587	0.2
856.16888	0.2
1030.27954	0.2
1039.55383	1.2
1040.53906	0.3
1057.55981	100.0
1058.56262	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	1051.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99174	1.2
73.02818	3.9
75.00749	8.1
78.95755	0.1
79.01748	0.1
81.03331	0.4
83.01252	1.8
83.04900	0.2
85.02824	11.8
85.99966	1.1
86.03188	0.2
87.00754	5.3
87.04392	1.6
89.02319	1.5
89.45095	0.1
95.01266	24.4
96.01595	0.6
97.02832	0.6
98.20647	0.3
98.93081	0.1
99.00758	11.0
99.04403	0.6
101.02322	2.1
101.02924	0.2
103.03906	0.7
109.02831	0.1
111.00777	1.1
111.04410	0.2
112.01563	0.7
113.02337	6.0
115.00269	0.4
115.03897	1.8
119.03404	0.4
123.00773	28.5
124.01087	0.5
125.02348	1.4
127.03902	0.3
129.01877	0.1
131.03400	4.4
139.00288	0.3
140.01031	0.8
141.01843	1.6
143.03406	2.8
145.04965	0.6
147.04454	0.2
155.03416	0.5
156.04175	0.1
157.01357	0.6
163.06020	0.8
183.18858	0.1
189.72980	0.1
205.07117	1.8
247.08224	0.4
356.60181	0.1
394.94476	0.1
405.31741	0.1
437.34363	0.1
439.35995	1.0
509.40051	0.2
608.78992	0.1
687.43945	0.2
723.41754	0.1
755.43817	0.2
760.37152	0.1
833.50421	0.4
877.49475	0.2
878.49786	0.2
895.50482	2.6
896.51355	0.4
1001.51538	0.3
1019.52325	7.6
1020.52710	1.8
1033.53784	2.0
1034.54163	0.4
1051.54822	100.0
1052.55139	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98814	0.2
72.99182	1.6
73.02444	0.3
73.02819	4.2
75.00748	8.1
78.95796	0.2
81.03329	0.6
83.01264	2.8
85.02825	10.6
85.99966	1.3
86.03157	0.3
87.00754	6.1
87.04395	2.0
89.02317	3.3
95.01266	9.6
97.02838	3.5
99.00758	9.9
99.04378	0.5
101.02326	6.0
103.03882	1.3
107.42735	0.2
108.48349	0.2
109.02780	0.2
111.00775	0.8
112.01530	0.3
113.02334	8.3
115.00273	0.3
115.03901	1.9
119.03390	1.0
123.00774	7.0
125.02341	5.5
127.03896	0.2
129.01776	0.3
131.03406	4.4
131.04388	0.2
136.08650	0.2
139.00276	0.5
140.01067	0.2
141.01857	0.4
142.02554	0.2
143.02353	0.3
143.03404	3.5
145.04997	1.1
145.74217	0.2
147.04419	0.4
155.03389	0.2
157.01289	0.4
161.04453	0.4
163.06073	1.5
205.07150	2.3
247.08177	0.5
305.70572	0.2
313.03470	0.3
327.21698	0.2
343.08093	0.2
393.81509	0.2
439.35623	0.5
465.37497	0.2
550.24127	0.2
565.38812	1.0
635.43304	0.7
707.41486	0.4
725.42535	0.5
850.04462	0.2
863.51691	0.3
895.50183	0.8
951.53418	0.2
1019.52356	1.9
1020.52325	0.8
1033.53394	2.7
1034.54199	0.9
1051.54846	100.0
1052.55164	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99185	1.2
73.02399	0.1
73.02818	3.7
75.00747	8.0
78.95777	0.3
81.03348	0.3
83.01264	1.9
83.04893	0.2
84.02026	0.2
85.02824	10.4
85.75594	0.1
85.99957	1.1
86.03156	0.1
87.00756	5.1
87.04393	1.5
89.02316	1.7
93.03397	0.1
95.01263	21.5
96.01601	0.5
97.02811	0.6
99.00757	10.1
99.04378	0.3
100.01089	0.2
101.02327	1.8
103.03884	0.6
109.02882	0.1
111.00777	1.0
111.04401	0.1
112.01574	0.5
113.02333	5.3
115.00280	0.3
115.03886	1.7
119.03391	0.3
123.00769	24.5
124.01112	0.5
125.02340	1.6
127.03888	0.3
131.03395	4.1
132.03738	0.1
135.04410	0.3
137.02344	0.2
139.00247	0.3
140.01068	0.6
141.01843	1.3
143.02354	0.2
143.03403	2.8
145.04968	0.5
147.04382	0.2
152.99539	0.1
155.03381	0.5
156.04195	0.1
157.01323	0.5
163.05995	0.7
181.04939	0.1
196.65340	0.1
205.07109	1.7
205.08818	0.2
222.72786	0.1
247.08203	0.4
271.09698	0.3
301.10980	0.1
376.56503	0.1
405.31693	0.2
439.35791	0.9
440.35706	0.1
441.37512	0.2
509.39890	0.2
596.72223	0.1
687.44891	0.2
755.43976	0.4
833.51050	0.3
877.48651	0.2
893.50378	0.1
895.50714	2.0
896.51129	0.4
931.27600	0.2
1019.52283	7.3
1020.52527	1.8
1033.53857	2.1
1034.54419	0.5
1036.01794	0.1
1051.54785	100.0
1052.55139	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99177	1.4
73.02821	3.9
75.00746	7.7
79.01756	0.4
81.03324	0.2
83.01260	2.0
84.02054	0.2
85.02824	12.8
85.99966	1.2
86.03173	0.2
87.00224	0.3
87.00755	4.8
87.04388	1.5
89.02315	1.8
95.01266	2.7
96.02068	0.3
96.99166	0.2
97.02834	0.4
97.99976	0.5
99.00757	9.7
99.04370	0.2
100.01099	0.3
101.02325	2.1
103.03889	0.9
111.00764	2.9
111.04401	1.5
112.01550	0.3
113.02334	8.0
114.02653	0.2
115.00253	0.3
115.03885	1.7
119.03393	0.3
123.00760	0.9
125.02351	0.6
127.03925	0.2
129.01823	0.3
131.03397	4.0
139.00255	0.3
140.01057	1.3
141.01825	0.3
143.03400	3.0
144.00568	0.2
145.04999	0.6
155.03419	1.9
157.01302	0.6
163.06027	0.7
205.07135	1.7
209.11708	0.2
209.13652	0.1
212.16832	0.1
247.08165	0.3
293.21161	0.3
341.23199	0.2
439.35803	0.6
463.72733	0.1
465.37491	0.8
509.39932	0.2
535.41394	0.4
595.40088	0.9
596.40631	0.2
665.44159	0.4
687.44489	0.1
755.43866	0.3
833.50891	0.2
844.92590	0.1
895.50842	0.6
896.50757	0.1
921.52563	0.4
1019.52527	0.4
1033.53674	1.9
1034.53687	0.4
1051.54785	100.0
1052.55066	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.2
73.02818	3.9
75.00747	8.3
79.01769	0.5
81.03320	0.2
82.67311	0.1
83.00773	0.1
83.01254	1.9
84.02048	0.1
85.02824	12.1
85.99973	1.2
86.03155	0.2
87.00750	5.0
87.04388	1.6
87.62242	0.1
89.02315	1.7
91.12334	0.1
95.01263	12.6
96.01595	0.2
97.02835	1.5
99.00756	11.4
99.04411	0.1
100.01095	0.2
101.02321	2.1
103.03902	0.8
106.60604	0.1
109.02822	0.2
111.00755	0.8
111.04400	0.4
112.01540	0.3
113.02332	6.9
115.00251	0.4
115.03897	2.0
119.03374	0.3
119.04919	0.1
123.00771	12.7
124.01151	0.4
125.02335	1.7
127.03918	0.2
129.01837	0.5
131.03395	4.6
139.00287	0.3
140.01010	0.1
141.01837	3.1
143.03406	3.0
145.04977	0.7
157.01335	0.6
161.04410	0.1
163.06030	0.9
190.59737	0.1
191.03229	0.1
205.07112	1.4
247.08159	0.2
405.32037	0.1
421.35065	0.1
439.35809	0.5
491.49261	0.1
509.39978	0.1
533.11230	0.1
539.37238	0.1
553.38605	0.1
563.37817	0.1
595.39716	0.1
705.40039	0.2
723.40906	0.2
755.43701	0.2
795.34314	0.1
877.49579	0.1
895.51349	0.1
948.50378	0.4
1001.51117	1.7
1002.52020	0.4
1019.52185	100.0
1020.52441	24.6
1051.54797	14.0
1052.55164	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	1051.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99190	1.4
73.02818	3.8
75.00745	7.9
79.01765	0.4
81.03323	0.3
81.50716	0.1
83.01262	1.9
84.02066	0.1
85.02824	13.3
85.99966	1.3
86.03169	0.4
87.00748	4.9
87.04382	1.4
89.02312	1.4
95.01263	2.9
96.02034	0.2
97.02824	0.5
97.99979	0.4
98.20580	0.5
99.00756	9.4
99.04407	0.3
101.02319	2.0
103.03895	0.7
111.00768	3.0
111.04400	1.3
111.38949	0.1
112.01543	0.3
113.02332	7.7
115.00220	0.4
115.03903	1.4
117.51574	0.1
119.03381	0.4
123.00768	0.8
125.02318	0.7
127.03918	0.3
129.01805	0.3
131.03401	4.6
134.89589	0.1
139.00278	0.4
140.01054	1.2
141.01794	0.5
143.02359	0.2
143.03415	3.1
144.00484	0.2
144.03745	0.2
145.04964	0.7
155.03409	1.6
157.01266	0.6
163.06067	0.7
165.03992	0.2
197.69994	0.1
205.07112	1.8
209.04623	0.2
223.10916	0.1
247.08128	0.3
293.21243	0.2
341.23328	0.2
343.08203	0.2
397.13687	0.2
439.35843	0.8
465.37497	0.6
509.40167	0.2
535.41431	0.2
595.40326	0.9
596.39978	0.2
608.48492	0.2
665.43658	0.2
687.44739	0.2
709.43298	0.2
755.44177	0.4
765.23999	0.2
833.50684	0.4
895.51544	0.4
914.98309	0.1
921.52411	0.7
985.13348	0.2
1019.53149	0.2
1033.53711	1.8
1034.53577	0.6
1051.54797	100.0
1052.55103	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71960	1.2
59.01252	22.3
65.01301	1.3
71.51907	1.7
71.52276	1.3
72.99184	86.2
73.99506	1.4
75.00746	35.9
93.89955	1.2
105.01816	100.0
105.04459	2.1
106.02142	2.2
106.04006	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	1049.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02824	0.5
83.01276	0.5
85.02844	0.5
87.00789	2.1
89.02336	0.8
91.01814	1.0
93.03361	1.3
97.06489	1.7
99.00800	1.2
101.99403	0.6
107.04887	0.7
108.02061	4.9
109.02824	4.1
111.00811	0.6
117.03267	0.4
119.04971	0.7
121.02840	8.4
122.03628	2.0
123.00806	0.7
123.04437	2.8
124.01571	1.1
125.02405	0.7
130.04170	0.6
131.04968	1.9
133.02859	0.8
134.03641	1.7
135.04408	1.5
137.02362	2.2
139.03903	0.5
143.04947	1.7
145.02890	1.9
146.03621	2.6
147.04419	6.1
148.04974	0.8
149.06010	1.2
151.00314	1.3
157.02885	1.3
158.03705	0.8
159.04428	36.7
160.01535	0.8
160.05220	7.4
161.02376	3.6
161.06004	8.1
162.06395	0.4
163.00354	0.5
163.03902	5.2
164.04573	0.9
165.05464	0.8
169.02939	0.7
170.03577	0.6
171.04385	2.4
172.05244	1.9
173.02374	4.1
173.06003	13.4
173.07503	0.7
174.03220	1.4
174.06407	1.4
175.03951	4.5
175.07779	0.5
177.05402	0.5
183.04614	0.6
185.02368	1.0
185.05989	0.7
186.03160	1.8
187.03960	5.4
188.04343	0.5
189.01944	0.5
191.03444	1.4
191.05493	1.0
192.04118	0.7
193.04947	1.0
195.04346	0.6
197.02390	1.5
197.06012	0.9
198.03181	1.5
199.03925	4.4
200.04665	1.0
201.01804	0.7
201.05507	0.7
202.02513	0.5
203.03484	3.3
204.04160	1.7
205.04874	0.8
209.06027	1.0
210.03218	1.9
211.03944	1.0
211.07501	0.6
213.05524	3.2
214.02673	1.3
215.03482	0.5
217.01418	2.7
217.04918	0.8
218.01997	0.6
219.02924	1.3
219.06506	0.9
221.06000	1.1
223.04095	0.6
223.07539	1.4
224.04794	1.6
225.02098	0.6
225.05479	3.8
226.02675	3.5
227.03447	1.8
227.07007	0.6
229.01364	4.7
230.02124	1.4
231.03261	0.6
231.06537	0.6
233.06097	1.4
235.07617	1.3
237.05486	2.4
238.06348	1.4
239.03419	1.3
239.07080	3.6
240.04187	1.0
241.05020	7.1
242.02184	4.4
242.05957	0.7
243.02953	1.7
248.04695	0.6
249.05501	4.1
250.06337	3.4
251.03603	0.5
251.04604	0.6
251.07149	5.7
252.04353	1.2
252.07828	2.3
253.01355	1.2
253.05069	2.8
253.08649	0.9
254.02112	3.1
254.05731	2.0
255.02965	1.3
255.06775	0.5
256.07425	1.1
257.04581	0.7
261.05533	6.1
262.06308	5.4
263.07129	4.9
264.04288	1.4
264.07886	2.7
265.05045	4.7
265.08377	1.2
266.05850	5.2
267.03363	0.9
267.06631	9.6
268.03674	1.3
268.07126	1.2
269.04541	1.6
269.08173	2.1
270.01706	12.1
271.02365	1.9
273.00366	2.8
277.05072	10.4
278.05783	7.8
279.06604	20.2
280.03925	0.8
280.07355	11.3
281.01016	1.2
281.04843	0.8
281.08102	8.3
282.02023	0.6
282.05432	1.5
282.08923	15.4
283.02466	2.1
283.06085	1.5
283.09225	1.2
284.03223	1.4
285.04044	22.0
286.04459	1.5
288.04346	0.6
289.05011	5.1
290.05789	6.2
291.06583	5.8
292.04062	0.7
292.07309	2.7
293.04538	3.4
293.08215	2.9
294.05344	0.6
294.08734	0.7
295.02777	1.0
295.06107	2.5
295.09756	7.3
296.06580	1.0
296.10086	0.9
297.00806	0.8
297.04596	4.0
297.07782	2.7
297.11279	25.7
298.01181	7.3
298.04324	0.6
298.08109	0.9
298.11612	1.7
299.05640	2.5
300.02783	1.0
304.07138	0.7
305.04526	5.2
305.07977	0.9
306.05359	14.6
307.06110	30.2
308.06882	26.5
309.07269	2.2
310.10190	0.5
311.05716	0.8
311.09244	1.4
312.02835	1.2
312.10172	0.9
313.03549	84.4
314.03848	6.6
316.03613	1.0
317.04355	0.9
319.06125	0.8
320.06732	0.7
321.07678	25.7
322.04691	0.8
322.08154	2.5
323.05896	1.7
323.09229	37.0
324.06030	1.0
324.09567	2.5
325.07178	0.7
327.05090	7.4
327.12314	1.9
328.05865	27.8
328.12354	1.0
329.06348	2.5
333.03894	2.3
334.04776	3.7
335.05392	0.6
336.06207	1.5
337.07104	0.7
338.07837	1.0
339.08441	2.1
341.10287	11.9
342.10657	1.2
343.08209	100.0
344.08548	9.5
349.03094	0.8
349.07159	13.2
350.03934	0.9
350.07739	0.9
351.08548	5.1
352.05594	0.9
352.09589	0.6
353.10342	1.6
355.08075	0.8
365.06561	3.2
365.10443	1.1
366.07169	1.5
367.08215	25.3
368.08423	2.2
369.11932	13.3
370.12292	6.9
371.12122	0.9
378.03818	1.5
385.09225	4.8
393.06177	59.0
394.06448	4.5
397.08966	0.8
398.09644	0.6
409.09210	1.4
411.07202	6.1
423.07047	1.2
429.08377	0.9
435.07132	0.9
453.08270	9.9
454.08362	1.1
458.05597	0.6
617.18738	4.8
618.18597	0.7
637.18115	2.9
645.14404	3.9
661.17700	12.1
662.17731	1.4
687.15582	6.2
688.16089	0.7
705.16711	59.5
706.17065	8.4
961.27417	1.1
963.30164	0.8
986.33472	0.9
987.33557	2.0
1004.34937	0.8
1005.32233	2.8
1031.23975	2.6
1049.25317	24.8
1050.25500	6.8
1060.83362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02836	0.6
87.00761	1.0
91.01772	0.7
95.01280	0.9
99.00753	1.1
108.02050	3.6
109.02840	4.7
121.02876	1.3
122.03633	0.7
123.04447	2.2
124.01582	0.8
125.02337	0.9
131.04922	1.3
134.03630	1.9
135.04384	1.0
137.02344	1.7
143.05006	0.8
145.02875	1.4
146.03647	2.2
147.04411	2.3
152.01096	1.0
153.01625	0.7
158.03677	0.8
159.04422	26.8
160.05217	6.7
161.02373	2.5
161.06023	6.4
163.03943	1.1
171.04440	1.9
172.05212	1.6
173.02368	2.9
173.04587	0.6
173.05989	11.9
174.03160	1.5
175.03938	1.7
177.01770	0.8
185.02325	0.8
186.03163	1.5
187.03911	8.4
189.05521	0.8
191.03491	0.6
193.04968	1.1
197.02383	1.0
198.03119	1.5
199.03902	3.4
201.05635	0.6
203.03435	2.5
204.04224	1.4
209.06059	0.7
210.03226	2.5
211.03920	1.2
213.01817	0.9
213.05530	1.8
217.01434	2.1
219.06392	0.7
221.05928	0.7
223.07596	0.9
224.04744	1.0
225.05495	3.2
226.02687	4.2
227.03442	1.1
228.65775	0.7
229.01337	4.7
230.02136	1.3
237.05592	1.5
238.06172	0.7
239.03453	1.5
239.07164	1.4
240.04433	0.9
241.04988	5.4
242.02219	5.4
242.05753	1.1
243.02917	2.0
249.05606	1.7
250.06267	2.0
251.03278	0.7
251.07109	4.3
252.04199	2.1
253.01389	0.8
253.05060	2.3
254.02167	3.7
254.05832	3.6
255.02902	1.2
256.03659	1.0
256.07404	1.2
257.04694	0.8
261.05545	4.7
262.06360	2.8
263.03476	1.0
263.07129	3.7
264.04214	0.8
264.07904	1.1
265.05121	3.0
265.07861	0.6
266.05881	4.9
267.03479	1.0
267.06625	12.0
268.07230	1.6
269.00983	1.0
269.04590	2.2
269.08170	7.0
270.01675	14.4
271.02264	2.0
277.05023	8.9
278.05811	6.3
279.06604	15.5
280.04095	1.0
280.07379	9.1
281.01041	0.7
281.04755	1.0
281.08118	7.0
282.01807	1.2
282.05530	1.1
282.08914	11.8
283.02396	2.1
284.03256	2.2
285.04041	25.6
286.04309	1.7
289.05182	4.2
290.05838	3.4
291.06592	2.5
292.07245	0.8
293.04568	2.3
293.08252	2.0
295.02847	1.0
295.06125	3.8
295.09753	8.2
296.10339	1.6
297.04510	4.9
297.07666	3.2
297.11206	13.9
298.01120	8.8
298.04205	0.9
298.11679	1.0
299.02332	0.7
299.05615	2.6
300.02701	1.2
305.04590	4.4
305.08020	1.3
306.05359	13.2
306.08701	0.7
307.06079	19.6
308.06873	19.4
308.10043	0.7
309.07416	1.9
311.05756	0.9
311.09329	1.2
312.02734	2.5
312.10052	2.1
313.03537	92.9
314.03918	6.6
316.03751	0.8
320.06683	0.7
321.07642	20.5
322.08090	2.9
323.05817	1.2
323.09225	28.2
324.09586	1.4
325.07175	1.0
327.05136	7.5
327.12390	1.4
328.05875	30.3
329.06332	2.4
333.03986	2.3
334.04706	3.1
337.07117	1.5
338.07742	1.4
339.08627	0.9
341.10147	5.9
343.08206	100.0
344.08530	7.2
349.07245	7.2
350.03979	0.8
353.10239	3.3
365.06519	1.2
366.07101	1.4
367.08209	26.1
368.08566	2.3
371.11429	1.2
378.03708	0.8
383.11502	1.1
385.09259	4.6
393.06137	28.8
394.06494	1.4
397.09186	1.3
409.08969	1.3
411.07117	3.0
413.12329	1.4
423.07086	1.3
427.10205	1.2
439.10449	1.3
445.11227	0.7
453.07962	0.9
457.11456	2.0
483.09341	24.5
484.09616	2.1
487.12576	1.2
491.12012	4.0
499.12405	2.4
515.15100	1.3
517.19360	1.4
543.11389	20.4
544.11591	2.3
559.14624	1.3
585.12451	19.2
586.12848	2.9
589.15454	1.3
599.17993	1.2
601.15741	1.6
615.13556	16.3
616.13519	1.4
617.19061	5.0
643.16650	5.0
644.14636	1.2
645.14569	30.2
646.14673	3.5
661.17535	13.8
662.17883	1.4
669.14154	2.0
675.15851	1.2
687.15643	36.3
688.16132	4.3
705.16669	41.4
706.17017	5.6
961.37781	1.0
963.34351	1.1
987.35223	2.8
1005.35944	5.9
1031.24451	5.2
1049.25513	34.7
1050.25903	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	1046.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
74.64997	25.8
75.82391	23.6
76.13550	28.1
77.15155	29.6
87.00736	47.8
96.95892	100.0
171.10146	45.3
207.10239	27.5
209.11768	35.7
214.30318	27.6
229.95702	30.0
233.58449	28.7
255.23328	29.7
277.21680	34.6
295.22766	97.4
323.24384	31.2
532.83990	32.3
1046.52869	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	1044.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00735	46.7
89.02321	42.5
98.20592	66.7
112.12774	34.7
117.25646	32.6
139.62881	32.3
211.13252	56.2
277.21667	59.3
282.95123	37.2
288.89038	37.8
289.18030	49.9
293.21124	90.1
294.21552	58.3
324.43869	32.5
341.23322	63.1
344.92108	35.0
379.11761	35.6
397.13165	100.0
471.59933	37.5
546.66101	41.3
624.13879	40.9
742.44153	38.9
842.59509	34.9
954.65845	38.8
1044.51978	39.2
1045.52869	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	1043.5805
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99191	1.5
73.02821	1.7
75.00716	0.9
77.27193	1.0
78.95789	1.6
80.96389	1.0
81.03355	1.0
83.01274	1.5
83.04878	1.2
85.02842	3.8
87.00761	5.0
89.02321	11.0
97.02841	5.3
101.02323	10.9
110.55177	0.9
111.08043	3.3
113.02355	5.5
119.03408	1.9
121.02853	1.6
125.02331	4.8
143.03378	1.3
161.04434	4.0
164.23679	1.0
165.12807	2.5
169.12265	1.8
171.10246	2.6
173.05882	1.1
179.05492	3.7
195.13806	7.4
197.11789	18.9
209.11766	1.7
211.13347	8.7
212.78802	0.9
221.06520	1.7
223.13329	6.7
227.12814	1.6
235.08168	3.3
247.20627	2.0
275.20181	5.1
277.21735	2.8
291.19675	16.9
292.20215	1.3
293.21231	100.0
294.21585	8.5
305.08630	1.2
309.20718	69.7
310.20981	5.2
321.24374	1.7
323.09634	1.4
341.23212	1.6
379.12454	2.8
397.13522	36.1
398.13834	2.8
415.14563	20.1
416.15082	2.2
585.41632	4.0
673.33801	1.5
689.33826	4.5
691.35498	6.2
692.36798	1.2
707.34924	4.4
780.79395	1.2
889.99048	1.1
983.57025	1.5
1043.53284	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	1039.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01592	0.3
72.99184	1.7
73.02818	4.3
73.53422	0.1
75.00745	8.8
81.03336	0.2
83.01255	2.7
85.02821	15.2
85.09634	0.1
85.99976	1.3
86.03149	0.2
87.00751	5.6
87.04383	1.9
89.02316	2.3
95.01263	2.2
96.99176	1.1
97.02814	0.6
99.00756	9.8
99.04386	0.2
101.02325	2.4
103.03902	0.9
109.02853	0.1
111.00768	4.9
112.01574	0.3
112.98708	0.3
113.02328	7.1
114.02673	0.2
115.00256	0.4
115.03901	1.2
115.12648	0.1
116.92749	0.2
119.03374	0.3
123.00793	0.1
125.02325	0.4
129.01826	3.1
131.03387	4.3
137.09572	0.1
139.00249	0.4
140.80006	0.1
143.03397	5.1
145.05008	0.6
149.79477	0.1
157.01315	0.7
162.10255	0.1
163.06013	0.9
172.05086	0.1
189.03928	0.1
191.02155	0.1
205.07117	1.7
247.08205	0.3
273.54791	0.1
277.09494	0.2
360.08682	0.1
421.31238	0.2
423.32520	0.3
439.35898	0.4
537.35980	0.2
539.36847	0.1
583.40222	1.6
584.40448	0.2
599.39380	0.2
653.44659	0.4
697.43341	0.3
743.43231	0.4
893.48901	0.2
1007.53448	0.2
1021.53632	2.4
1022.54120	0.3
1039.54810	100.0
1040.55090	20.3
1059.28870	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	1041.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70882	0.3
80.24738	0.3
83.01274	0.7
84.84735	0.3
91.01759	0.4
94.38892	0.4
107.01275	1.7
108.02077	0.9
109.02849	1.1
121.02850	1.4
135.00764	0.5
138.23225	0.4
147.04369	0.6
148.01559	0.9
149.02333	0.5
150.99135	0.7
151.00279	8.4
159.04439	0.5
160.22693	0.4
161.02335	0.6
163.00302	1.8
164.01076	0.7
169.01367	0.4
178.99806	4.0
183.04437	0.6
184.04425	0.4
187.03841	0.7
192.00554	0.4
199.03996	1.1
201.01859	0.6
203.03476	0.4
207.06580	0.5
211.03934	1.5
213.01747	0.4
215.03474	0.8
216.04155	0.6
226.02669	1.5
227.03458	4.4
229.01404	0.5
239.03328	0.5
243.02965	9.7
244.03429	0.5
244.12434	0.4
245.04515	1.0
254.02165	1.5
255.02972	20.6
256.03363	1.5
270.01669	0.6
271.02478	61.7
272.02917	4.5
273.03879	0.6
281.00775	0.6
283.02408	2.6
299.01962	31.2
300.02734	76.5
301.03473	30.7
302.03723	1.8
314.04327	11.6
315.04626	0.7
329.06659	65.5
330.06912	3.8
333.09805	0.6
463.08810	100.0
464.09097	8.2
465.09601	0.5
533.12933	1.6
577.15497	1.4
845.84174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02808	2.0
78.21195	1.3
83.01270	3.0
85.02830	4.2
87.00771	4.2
89.02321	11.1
95.01247	2.5
95.04907	2.6
97.02848	2.2
97.06458	2.5
101.02325	8.4
109.06451	1.8
113.02346	5.7
119.03387	2.7
123.04387	1.4
125.02360	4.6
125.09608	2.9
143.03415	2.5
147.04431	1.8
159.17421	1.3
161.04553	1.8
163.11121	2.9
177.12910	1.7
179.05606	4.0
185.11876	3.5
191.14314	3.8
193.80540	1.4
195.13870	7.0
207.10182	2.1
209.11758	8.3
211.13234	1.7
223.13359	5.9
235.08122	3.0
237.11145	2.0
245.19086	8.5
263.20166	1.7
271.02493	1.5
275.20212	4.2
289.18118	38.1
290.18451	2.7
293.21240	100.0
294.21555	6.8
307.19156	46.6
308.19406	2.2
329.09253	1.3
379.12573	2.4
397.13474	31.6
398.13861	2.1
415.14615	13.0
519.35492	1.5
594.07544	1.5
687.32672	2.9
691.35040	1.8
845.85596	1.6
853.31952	1.4
883.45636	1.6
981.55438	6.3
1039.02002	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	1039.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.8
73.02816	6.9
75.00748	9.0
78.95766	0.4
81.03345	0.9
83.01263	3.3
85.02821	14.6
85.99969	1.9
86.03130	0.4
87.00749	29.4
87.04389	1.8
88.98711	1.0
89.02312	3.4
91.05404	0.5
95.01255	2.6
97.02839	0.7
99.00766	11.2
99.04395	92.8
100.04720	2.0
101.02316	3.0
103.03905	0.7
103.05440	0.4
103.76983	0.4
108.01996	0.5
109.02822	0.5
111.00730	0.6
113.02330	8.6
115.03876	1.8
119.03388	0.5
119.04894	0.9
121.02854	1.0
122.03609	0.4
125.02324	1.0
129.03406	0.5
130.99767	5.7
131.03384	4.7
133.02742	0.5
135.04410	0.6
137.02330	2.4
139.00198	0.7
139.03885	0.8
143.03403	6.3
145.02832	0.9
145.04962	0.9
146.03635	1.4
147.04407	6.9
148.05225	2.2
149.05977	1.4
157.01328	0.8
159.04449	2.5
160.01582	0.8
160.05066	0.7
161.02364	0.5
161.06010	0.5
163.03902	0.9
163.06065	1.0
163.07430	0.5
171.04385	0.6
171.10199	0.8
172.05225	1.9
173.02325	0.7
173.05936	2.7
174.03125	0.9
174.06760	1.3
175.03908	1.2
175.07510	2.0
183.13806	0.9
185.06042	2.0
186.06728	1.2
187.03935	1.3
187.07597	2.3
188.04665	1.4
189.05489	1.6
189.09190	0.5
191.03394	2.2
192.04207	1.7
193.04941	1.1
197.06010	0.7
198.06735	0.6
199.07596	1.3
200.08331	0.7
201.05534	1.3
201.09146	3.2
202.06352	0.9
203.07104	1.8
205.07094	2.1
209.05838	0.4
209.11769	5.0
211.13295	4.9
212.13753	0.5
214.06317	1.1
214.69516	0.4
215.07130	2.0
216.07800	0.7
217.01396	0.6
217.08606	0.8
218.02110	0.8
218.09401	1.0
219.10281	0.8
227.07118	0.9
227.12895	0.5
229.08727	1.0
231.06636	0.4
233.08481	0.4
236.03177	0.7
241.05074	0.4
243.06641	0.6
243.10275	1.8
245.08165	0.9
253.09299	0.7
271.13516	0.6
285.15158	0.4
288.21057	0.4
297.14963	1.6
311.16696	0.6
313.03473	0.5
313.17831	0.5
315.16049	0.9
333.09772	0.9
341.17581	0.7
343.08209	0.8
349.09082	0.6
350.10004	2.9
351.10922	0.4
397.13708	0.5
439.35852	2.5
440.36438	0.6
509.40128	1.2
584.81744	0.4
599.39362	0.7
708.33386	0.5
710.79987	0.4
778.39691	0.4
810.40680	1.2
877.49261	2.0
878.50806	0.7
895.50574	100.0
896.50977	19.2
977.47247	0.5
1007.45697	1.7
1020.53931	0.5
1021.49658	5.4
1022.47852	0.9
1039.55078	64.9
1040.55432	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	1043.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00758	0.8
98.20586	0.6
121.02798	0.6
131.01288	0.2
133.02827	0.9
137.42032	0.2
139.03943	0.2
147.04451	0.3
148.01634	0.2
149.02322	0.4
160.01512	0.8
170.38063	0.3
175.00279	1.0
188.01091	4.9
189.01727	0.7
193.05025	0.3
200.01088	1.8
201.01872	2.0
225.05493	0.7
229.56519	0.4
237.05617	0.4
241.05075	0.4
242.84146	0.2
243.06534	0.4
253.05040	2.0
253.09171	0.3
265.04987	0.9
267.02902	0.8
269.04437	0.4
280.03775	0.4
281.04590	1.5
284.03094	0.5
293.21149	0.4
297.04010	4.7
308.03357	0.5
309.04044	50.9
310.04364	3.7
333.07742	0.4
335.09116	0.5
337.07202	1.4
344.05396	0.3
351.08679	1.4
352.09503	50.2
353.09879	4.5
354.09653	0.3
367.11847	100.0
368.12177	8.7
397.13785	0.5
831.44543	0.3
1007.52386	0.7
1083.13074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01556	0.1
72.59469	0.1
72.99190	1.3
73.02821	4.0
75.00748	8.8
83.01260	2.1
84.02038	0.2
85.02826	13.2
85.99973	1.6
86.03153	0.2
87.00757	5.6
87.04388	1.6
88.01103	0.1
89.02318	1.9
95.01260	2.0
96.99192	0.8
97.02813	0.4
99.00757	7.9
99.04408	0.2
101.02327	1.7
103.03895	0.9
111.00769	4.4
112.01591	0.2
112.98683	0.5
113.02333	6.8
115.00233	0.4
115.03896	1.4
119.03423	0.2
125.02381	0.3
127.03918	0.2
129.01836	2.2
131.03403	4.1
139.00261	0.2
140.67354	0.1
143.03413	4.3
143.04562	0.2
145.04959	0.6
153.01820	0.1
157.01353	0.5
159.02943	0.1
163.06009	0.9
201.98746	0.1
205.07114	1.6
247.08260	0.4
423.32675	0.2
439.35803	0.2
485.37006	0.1
537.35938	0.1
553.39587	0.1
583.40125	1.5
584.40503	0.1
599.40167	0.2
653.43927	0.4
725.42804	0.2
743.43530	0.5
796.37799	0.2
799.46130	0.2
833.50812	0.2
945.52264	0.1
1021.53979	2.7
1022.54596	0.4
1039.54846	100.0
1040.55164	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.4
73.02821	5.8
75.00749	6.3
77.14819	0.2
81.03336	0.7
81.42637	0.2
83.01260	2.1
84.02026	0.2
85.02823	11.7
85.99973	1.8
87.00751	6.9
87.04382	1.7
88.01066	0.2
88.93687	0.2
89.02314	1.9
95.01264	1.6
96.95876	0.2
97.02841	0.5
98.19755	0.5
99.00763	8.1
99.04397	62.4
100.04724	1.3
101.02315	2.1
103.03886	0.6
109.61652	0.2
111.00822	0.3
111.51620	0.2
112.01581	0.3
113.02334	5.6
115.00279	0.4
115.03911	1.8
119.04865	0.3
121.02828	0.2
125.02364	0.6
129.01801	0.2
130.99762	0.3
131.03391	4.2
135.04323	0.3
137.02316	0.6
139.00269	0.6
143.03400	4.9
145.02827	0.6
145.04988	0.5
146.03648	0.6
147.04451	1.4
149.06017	0.4
157.01331	0.6
159.04420	1.2
159.08040	0.2
160.05220	0.2
161.05943	0.4
163.03905	0.2
163.06036	0.9
169.06419	0.2
171.08064	0.5
172.05212	0.9
173.02373	0.3
173.06003	1.3
174.03160	0.5
174.06812	0.4
175.03896	0.3
175.07552	0.9
177.01988	0.3
185.06021	0.9
186.06808	0.7
187.03975	0.4
187.07561	0.7
189.03990	0.3
189.05568	0.3
191.03415	0.4
192.04196	0.4
194.05470	0.2
196.05272	0.3
197.06052	0.4
199.04077	0.3
199.07613	0.8
200.04640	0.4
201.05547	0.7
201.09151	2.0
202.06331	0.7
203.06978	0.4
205.07106	1.8
209.11798	1.4
211.13409	1.4
213.05548	0.3
214.06335	0.4
215.07175	0.7
215.10620	0.5
216.07732	0.3
217.08427	0.2
227.10883	0.3
229.08748	0.5
238.94308	0.2
243.10217	1.3
245.08186	0.4
247.08220	0.2
271.13208	0.2
288.10214	0.2
297.14984	0.8
314.08026	0.2
315.16135	0.2
341.17554	0.3
360.45731	0.2
415.95023	0.2
439.35901	2.0
459.38782	0.3
509.39911	1.1
553.38715	0.3
583.18805	0.2
599.39923	0.4
658.18585	0.2
678.39679	0.2
877.49548	2.1
878.51373	0.5
895.50568	100.0
896.50909	20.7
897.51733	0.4
977.48053	0.3
1007.43658	0.3
1021.45612	2.6
1022.48236	0.6
1039.55286	22.8
1040.55457	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	1039.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01612	0.6
72.99164	1.5
73.02816	9.1
75.00752	8.6
81.03329	1.2
83.01237	3.0
83.04890	0.7
85.02823	19.6
85.99981	1.7
87.00748	15.7
87.04397	1.8
89.02305	3.8
95.01276	2.9
95.04862	0.7
97.02818	1.3
99.00761	14.4
99.04395	99.1
100.04735	2.1
101.02309	3.7
103.03894	1.2
105.42606	0.6
109.02873	0.7
111.00780	0.7
112.01579	0.6
113.02325	9.2
113.03062	0.7
115.00264	0.6
115.03877	1.6
119.03349	0.7
119.04918	0.7
121.02776	0.6
125.02315	0.9
130.99776	1.9
131.03409	5.7
134.03667	1.4
135.04385	0.8
137.02353	1.4
139.00366	0.9
143.03418	7.1
143.04501	0.8
143.04895	0.5
145.02893	1.3
145.04997	0.8
145.06508	0.7
146.03621	3.1
147.04424	6.8
148.05247	0.6
149.05988	1.0
157.01372	1.4
159.04408	4.1
160.01593	1.0
160.05219	0.9
161.05966	0.9
163.03917	1.1
163.06052	1.2
170.25252	0.6
171.04414	1.5
171.08104	1.5
172.05209	4.0
173.02380	1.3
173.05994	4.5
174.03156	1.5
174.06787	2.1
175.03947	2.1
175.07567	8.5
183.13715	0.6
185.06000	3.9
186.06783	3.1
187.03966	2.3
187.07567	3.8
188.04691	1.0
188.08258	0.7
189.05540	0.9
189.09311	1.2
190.06386	0.6
191.03481	2.7
191.05368	0.7
192.03914	0.8
193.05014	0.8
196.05290	0.8
197.06021	1.2
198.06801	1.1
199.03867	0.8
199.07590	2.5
200.04817	1.5
200.08327	2.0
201.05556	2.0
201.09164	7.7
202.06306	2.7
203.07076	2.0
205.07104	2.0
206.82671	0.7
207.10345	0.6
209.11736	5.5
211.07683	0.6
211.13364	5.4
213.05440	1.3
214.06377	2.1
215.07060	4.4
215.10690	1.7
216.07686	1.1
218.02097	0.7
225.09164	1.5
226.09834	0.7
227.10735	2.3
227.12772	0.9
228.07895	0.8
229.08630	2.6
231.06606	0.9
234.08913	1.8
243.10214	4.9
244.10905	0.9
245.08246	1.7
252.04210	0.7
266.07669	0.6
267.06674	1.1
271.13519	1.2
283.13251	0.7
288.10031	0.7
290.11633	0.7
297.15002	2.7
312.17340	0.5
313.03656	1.5
313.07184	0.9
313.14514	0.6
313.18094	1.1
315.16122	1.1
329.17706	0.6
339.16049	1.0
341.17615	1.5
343.08441	1.2
351.11029	0.6
364.11707	0.7
379.10416	1.5
380.11285	0.6
429.15607	0.7
439.35959	1.7
509.40057	1.2
569.20996	1.0
591.75031	0.7
599.39880	1.0
877.50018	2.2
895.50580	100.0
896.51001	17.3
899.46338	0.7
910.56116	0.6
945.45471	1.9
946.45972	0.7
1007.46198	1.5
1021.45618	9.5
1022.46747	2.1
1039.55151	79.0
1040.55432	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	1037.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01569	0.2
72.99183	1.5
73.02822	4.4
75.00747	9.2
81.03336	0.5
81.11127	0.2
83.01250	2.1
84.02020	0.2
85.02826	13.5
85.99974	1.2
87.00755	6.6
87.04395	2.2
89.02319	2.3
91.05396	0.4
93.03349	0.3
95.01265	2.5
95.04905	0.2
97.02831	5.7
98.03172	0.2
99.00758	10.9
99.04344	0.2
101.02325	2.8
103.03907	1.2
103.05441	0.2
105.03353	0.2
107.01306	0.2
107.69712	0.2
108.02064	0.4
109.02811	0.3
111.00774	0.5
112.01563	0.4
113.02338	7.3
115.00256	0.3
115.03901	1.7
119.03412	0.2
119.04899	0.5
121.02856	0.4
125.02338	18.7
125.91784	0.2
126.02701	0.5
127.03920	0.2
129.01813	0.2
129.79375	0.2
131.03406	5.1
134.03636	0.3
135.04382	0.4
137.02338	0.5
139.00262	0.5
143.03401	3.5
145.02905	0.4
145.05014	0.8
146.03690	0.4
147.04416	2.1
148.05246	0.2
149.05968	0.3
157.01344	0.9
159.04376	0.3
161.02403	0.2
163.03903	0.2
163.06020	0.6
172.05234	0.4
173.05971	0.5
174.02969	0.2
174.06583	0.2
175.03931	0.3
175.07553	0.3
185.05984	0.3
186.06770	0.2
187.03856	0.3
187.07581	0.4
189.01749	0.2
193.05008	0.3
201.05513	0.3
201.09145	0.3
205.07118	1.8
209.11826	0.4
211.13396	0.6
214.06192	0.2
215.07098	0.3
217.01404	0.3
218.02188	0.6
225.09088	0.2
229.08763	0.2
242.09460	0.2
243.10313	0.4
247.08345	0.3
255.03107	0.2
297.14740	0.2
301.10760	0.2
343.08228	0.3
437.33871	0.3
455.35336	0.4
493.43460	0.2
568.50940	0.2
581.39044	0.3
741.42163	0.4
828.49005	0.2
849.50201	0.3
911.50159	0.5
937.51794	0.2
994.44476	0.2
1019.52740	1.8
1020.52930	0.9
1037.53455	100.0
1038.53748	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05385	0.1
80.02560	0.1
91.05410	5.1
92.05746	0.1
93.03337	1.3
95.01259	0.2
95.04893	0.1
98.20573	0.0
103.05411	0.1
105.03407	0.1
107.04883	0.3
108.02057	1.8
108.02810	0.1
109.02837	22.2
110.03181	0.4
111.00742	0.1
119.04932	0.2
121.02843	10.8
122.03040	0.1
122.03647	0.2
123.04409	3.5
124.04735	0.1
133.02878	0.8
134.03639	4.7
135.04414	60.5
135.27026	0.1
136.04745	1.8
137.06001	0.1
145.02806	0.1
146.03636	0.2
147.04420	4.6
148.01532	0.1
148.04901	0.1
149.05986	13.4
150.06319	0.4
159.04457	0.1
160.05299	0.1
161.05927	0.1
163.03827	0.1
170.07307	0.1
173.06007	0.2
175.04005	0.1
177.05472	0.1
183.04211	0.1
185.05867	0.1
186.06799	0.6
187.03874	0.1
187.07547	0.1
188.04681	0.4
188.08322	0.1
189.05460	0.1
194.07297	0.2
196.05287	0.1
197.06010	1.4
198.06282	0.1
199.03937	0.2
201.05646	0.1
201.09119	0.3
202.12325	0.0
203.07118	0.2
203.10681	0.5
209.06071	0.1
210.06801	0.1
211.07553	0.3
212.08376	0.8
213.05453	0.4
213.08687	0.1
214.06250	0.8
215.06750	0.1
223.07614	0.1
224.08311	0.1
227.03482	0.3
227.07076	0.1
227.10678	0.2
228.07890	0.2
229.05167	0.1
229.08667	0.8
237.05499	0.2
238.06345	1.2
239.06999	0.3
240.04332	0.1
241.05035	1.1
242.05418	0.1
243.10185	0.2
253.08664	1.4
254.09119	0.1
255.06606	0.4
256.07367	1.5
257.07748	0.1
271.09741	100.0
272.10077	6.5
295.09726	0.3
313.10803	0.2
415.13913	0.6
433.15182	0.3
475.16064	30.7
476.16400	3.3
519.15039	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	1039.549
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99172	1.6
73.02821	8.9
75.00750	9.1
77.17732	0.4
80.37031	0.5
81.03331	1.8
83.01254	2.7
85.02827	14.9
85.99962	2.0
87.00754	16.0
87.04383	1.9
88.32223	0.5
89.02282	2.8
91.05395	0.5
93.03367	0.7
95.01279	2.8
95.04930	0.5
97.02773	0.5
99.00767	10.4
99.04398	93.2
100.04713	1.8
101.02338	4.1
103.03909	1.2
104.17493	0.5
107.60160	0.5
109.02847	0.6
111.00792	1.0
113.02333	9.4
115.03936	1.8
117.03329	0.7
119.04910	1.3
121.02866	0.7
122.03622	0.6
125.02341	0.8
125.37325	0.6
130.99768	2.4
131.03401	6.0
134.03613	1.0
135.04433	1.4
139.00290	0.7
143.03409	5.8
145.02846	1.4
145.04941	0.7
146.03651	2.7
147.04436	4.5
148.05200	1.0
149.05991	1.7
157.01389	1.1
159.04424	3.2
160.01575	1.3
160.05031	0.6
161.02344	1.0
161.05965	1.3
162.06790	1.0
163.06001	1.2
171.04439	0.9
171.08084	0.9
172.05194	3.0
173.02417	0.6
173.05943	2.9
174.03204	1.3
174.06657	1.0
175.03932	2.5
175.07567	5.1
185.05988	2.7
186.06787	1.9
187.03990	1.6
187.07558	3.3
188.04692	1.3
189.05486	1.6
189.09164	1.4
191.03484	2.7
192.04138	0.7
193.05049	1.5
196.05325	0.7
197.06023	1.2
198.06821	0.7
199.03918	0.8
199.07593	2.7
200.04736	1.3
200.08334	1.4
201.05504	2.5
201.09157	6.3
202.06389	1.4
203.06958	1.2
205.07166	2.1
209.11801	4.6
211.13318	5.2
213.05652	1.3
213.09215	0.8
214.06306	1.8
215.07043	4.0
215.10747	2.0
216.07779	1.1
217.01367	0.8
218.02231	1.2
218.05644	0.8
227.10808	1.7
228.07990	0.6
229.08650	1.9
233.08372	0.7
234.09001	1.0
243.10294	3.7
245.08249	1.7
245.11693	0.9
259.09747	0.6
267.06607	0.6
283.13245	0.7
297.15024	2.6
311.13049	0.7
311.16580	0.9
313.03641	0.8
313.07254	0.8
313.18109	1.3
328.06381	0.6
331.19290	0.7
332.08841	0.7
339.16153	1.5
341.17606	1.7
343.08337	1.9
350.10129	1.1
364.11597	1.3
379.10526	1.7
439.36139	2.6
509.40240	0.9
537.39368	0.6
569.20905	0.8
599.39868	1.0
600.41333	0.6
877.50189	2.5
878.50385	0.7
895.50610	100.0
896.50995	21.7
945.45453	1.4
995.45300	1.1
1007.46466	1.0
1021.45789	7.2
1022.45941	2.3
1039.55481	74.3
1040.55713	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	1037.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.4
73.02393	0.1
73.02820	5.1
75.00748	10.2
76.01059	0.1
79.01774	0.2
81.03336	0.2
83.01253	2.0
84.02030	0.1
85.02824	14.2
85.99975	1.6
86.03175	0.2
86.99971	0.1
87.00756	6.1
87.04389	2.1
89.02316	1.9
95.01267	11.9
96.01612	0.2
97.02828	3.1
99.00759	14.8
99.04378	0.3
100.01103	0.1
101.02327	2.4
103.03904	1.0
109.02839	0.2
111.00768	0.8
112.01569	0.3
113.02333	8.2
115.00251	0.3
115.03903	2.4
119.03397	0.3
123.00773	13.0
124.01122	0.3
125.02341	1.8
131.03400	4.5
133.02866	0.1
137.02359	0.1
139.00269	0.2
140.01074	0.3
141.01834	3.9
143.03407	3.5
145.04990	0.8
147.04436	0.3
157.01376	0.7
163.03928	0.1
163.06001	0.9
163.07114	0.1
184.67947	0.1
205.07103	2.0
237.67197	0.1
247.08229	0.2
292.12469	0.1
295.98798	0.1
307.21146	0.1
366.13730	0.1
389.28958	0.1
423.32462	0.1
439.35910	0.6
441.37695	0.1
537.39777	0.1
563.37433	0.2
614.29608	0.1
723.40833	0.2
724.41321	0.1
854.76062	0.2
871.03888	0.1
873.46082	0.1
895.50818	0.4
896.51965	0.2
948.51630	0.4
993.54645	1.0
994.55457	0.2
1001.50964	1.4
1002.53687	0.2
1019.52222	100.0
1020.52454	23.5
1037.53455	7.2
1038.53931	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	1033.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99186	1.0
73.02822	3.5
75.00745	6.5
83.01257	2.3
85.02825	12.1
85.03358	0.5
85.99945	1.0
87.00750	5.3
87.03918	0.2
87.04374	1.1
89.02323	1.7
89.21043	0.2
91.26276	0.2
95.01264	2.2
95.65224	0.2
96.95894	0.4
97.02826	0.3
98.19920	0.3
99.00761	8.9
101.02314	2.7
103.03880	0.6
111.00722	0.3
113.02332	6.6
115.00259	0.2
115.03914	1.0
117.25348	0.2
118.71238	0.2
119.03388	0.3
125.02366	0.2
129.01807	0.4
130.99780	0.5
131.03397	3.3
139.00240	0.4
143.03415	3.2
145.04938	0.5
147.04434	0.3
149.06000	0.2
157.01299	0.5
163.05986	0.6
190.36041	0.2
199.07581	0.2
205.07147	1.4
211.13292	0.3
213.05569	0.2
269.08286	0.2
313.03436	0.2
319.99057	0.2
343.08286	0.6
361.44547	0.2
423.32590	0.5
439.35800	0.7
465.37390	0.6
541.38647	0.3
543.39935	0.3
637.79114	0.6
640.82709	0.3
701.42596	0.5
704.27625	0.2
789.49725	0.2
921.52692	0.4
979.53485	0.8
997.53778	100.0
998.54077	23.3
1033.48877	0.4
1034.48633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02867	19.8
109.75135	18.7
116.92713	52.9
193.67270	18.9
248.04198	21.8
255.01218	20.3
277.21753	58.5
278.21881	29.0
291.19855	25.0
292.20316	28.1
309.20825	99.9
310.21164	100.0
311.21246	23.7
397.13715	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
89.40327	28.1
90.74635	32.8
174.50755	28.4
230.17175	30.8
246.16661	35.3
293.21204	97.8
294.21521	100.0
589.23914	33.3
691.58746	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02840	0.1
85.02863	0.1
87.00759	0.4
91.01820	0.2
93.03352	0.1
101.02333	0.2
103.57926	0.1
107.04897	0.1
107.76052	0.1
108.02071	0.1
112.44624	0.1
113.02332	0.1
117.03393	0.1
119.04910	0.1
121.02843	0.3
130.99782	0.1
132.02075	2.0
132.03093	0.1
134.03609	0.2
135.00769	0.5
137.02353	0.2
147.04428	0.5
148.05289	0.1
149.05971	0.1
153.01852	0.2
159.04369	0.1
161.02385	0.1
162.40155	0.1
163.03897	0.1
165.05334	0.1
167.04977	0.1
173.05920	0.1
175.03947	0.1
178.99672	0.1
179.65793	0.1
180.05722	0.1
191.03474	0.2
192.04170	0.1
193.05014	0.2
195.04427	1.2
196.05243	0.1
198.11914	0.1
208.05229	1.3
223.03958	4.5
224.04704	1.8
225.05098	0.1
236.04747	0.4
237.05473	0.1
238.06108	0.1
239.03552	0.1
248.04716	0.1
251.03490	4.1
251.07117	0.5
252.04262	54.9
253.04591	3.8
254.04303	0.1
265.05017	0.1
266.06082	0.1
267.06616	100.0
268.06952	6.8
268.09967	0.2
269.08093	0.2
271.02551	0.2
274.06241	0.1
281.08298	0.3
289.08627	0.2
295.06070	0.6
299.22668	0.1
309.07657	1.1
312.10037	0.1
333.09622	0.2
336.94574	0.1
343.08072	0.2
351.11108	0.6
397.09381	0.1
506.04565	0.1
699.15228	0.1
704.74182	0.1
979.16962	0.1
1031.34204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	25.0
71.53543	7.9
85.02865	7.3
89.02303	19.8
101.02318	17.1
104.16775	5.2
105.54012	5.0
113.02312	15.0
119.03359	8.7
125.02324	10.3
161.04486	5.1
211.13353	69.4
277.21710	100.0
278.21933	6.7
291.19656	72.1
352.25769	6.3
379.12476	27.3
397.13461	67.4
415.14340	13.3
418.53409	5.8
452.52451	5.7
655.76251	6.3
665.13098	6.5
675.35736	8.2
689.33740	6.3
1027.49817	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	1027.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	18.1
72.99166	1.2
73.02822	2.0
79.14747	0.7
81.03323	0.9
82.23936	0.7
83.01254	2.0
83.04865	0.8
83.97234	0.7
85.02811	4.9
86.01993	0.7
87.00304	0.7
87.00742	4.8
89.02322	14.2
95.01275	1.8
97.02837	4.7
99.00779	1.2
101.02326	15.6
104.85703	0.7
111.08027	4.5
113.02332	7.6
116.92744	2.5
119.03393	3.3
125.02325	6.2
137.09613	1.7
143.03351	2.2
153.12750	0.9
161.04440	3.9
161.67467	0.7
163.11238	0.9
165.12773	2.3
169.12248	2.7
171.10208	2.8
179.05515	4.9
181.12311	1.2
183.13782	0.9
197.11778	23.0
198.12032	1.1
199.13310	1.5
209.11795	1.6
211.13362	4.3
221.06538	1.3
227.12843	2.3
235.08214	7.1
247.20604	2.8
253.09196	1.4
263.19894	0.9
273.18655	1.9
277.21732	51.7
278.22092	3.9
287.07675	1.9
291.19675	31.1
291.23016	1.7
292.19922	1.5
305.08829	2.4
309.20715	100.0
310.20984	6.5
323.09787	1.8
379.12503	6.1
397.13507	56.0
398.13867	3.9
415.14572	16.5
423.13525	0.9
590.83582	0.9
671.32153	1.0
675.35980	3.7
689.33417	3.8
690.35510	1.2
707.34894	3.9
967.56506	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	1028.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01283	19.3
71.24034	24.0
78.95780	24.9
87.00769	32.6
89.02284	41.0
101.02308	43.9
119.06480	21.3
146.78468	20.2
149.06058	28.1
237.14206	23.3
277.21658	61.8
278.21945	51.4
289.18060	100.0
290.18436	81.8
291.18951	30.2
293.21402	35.2
345.09842	19.2
397.13419	58.2
399.14029	30.6
434.39935	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	1030.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
90.45927	24.7
101.02347	20.3
103.17207	25.6
111.08026	31.1
114.07663	21.4
115.17603	20.1
122.32389	23.1
154.89122	23.6
197.11746	69.9
276.18011	20.9
277.21732	40.3
278.22095	44.8
293.21448	28.3
309.20709	100.0
310.21130	58.3
311.21451	40.4
344.53751	26.7
397.13266	36.6
398.14059	35.7
662.30341	24.2
680.94025	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	1027.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	18.5
72.99181	1.4
73.02821	4.4
75.00743	6.7
83.01249	2.3
84.02042	0.3
85.02826	11.9
85.99965	1.3
87.00752	7.1
87.04382	1.6
89.02316	3.6
93.03344	0.3
95.01261	3.7
96.01629	0.2
96.95860	0.5
97.02836	0.8
99.00758	9.8
99.04424	0.3
99.21119	0.2
101.02325	6.9
103.03883	1.1
109.02904	0.3
111.00768	0.6
112.01589	0.3
113.02335	8.9
115.03897	2.0
119.03392	0.9
121.02859	0.5
123.04427	0.3
125.02355	0.5
129.01816	0.3
130.99794	0.3
131.03403	3.2
134.03682	0.3
137.02354	0.4
139.00261	0.8
143.03412	3.3
145.05019	0.7
147.04422	0.8
149.02283	0.3
157.01360	1.0
159.02911	0.3
161.04399	0.4
163.05992	1.2
173.05951	0.3
192.04233	0.3
193.04988	0.3
205.07091	1.8
211.13303	0.9
213.02040	0.3
226.02647	0.4
242.02274	0.3
243.03008	0.3
247.08260	0.4
268.03421	0.3
270.01660	0.7
284.03497	0.3
285.04010	1.4
297.04065	0.5
298.04230	0.2
299.01535	0.2
307.05768	0.2
312.02609	0.3
313.03522	5.7
314.03812	0.7
319.37149	0.2
327.05093	0.4
328.06003	1.9
342.07471	0.3
343.08264	4.0
344.08597	0.6
387.51718	0.2
389.03314	0.3
407.07645	0.3
417.02682	0.3
437.34421	0.3
439.36020	1.2
448.07977	0.3
465.37210	1.3
491.35233	0.3
541.39374	0.4
553.38885	0.3
581.11047	0.3
610.14484	0.2
611.43048	0.9
653.09113	0.3
655.14368	0.3
683.14056	1.7
683.42120	0.5
684.14960	0.3
685.15796	0.6
701.42743	0.9
759.94537	0.3
791.15295	0.4
836.94489	0.3
925.51544	0.3
951.52637	0.7
965.54651	0.7
966.54712	0.3
1009.53534	3.1
1010.54871	1.0
1027.23999	8.9
1027.54834	100.0
1028.23987	4.3
1028.55103	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	30.8
73.02804	6.0
75.00780	1.7
78.95773	1.8
81.03326	3.2
83.01261	4.1
83.04858	1.8
85.02809	8.6
87.00765	7.9
89.02319	22.8
95.01256	4.2
97.02829	6.1
97.06459	3.4
101.02322	25.0
113.02335	12.9
116.92754	3.9
119.03398	5.6
121.06492	1.8
123.04420	4.2
125.02338	9.8
125.09621	6.5
137.09610	4.1
143.03374	5.3
149.04517	2.0
161.04448	4.5
163.11214	8.5
165.12781	2.1
179.05502	8.3
181.12154	2.9
185.11728	7.8
185.64774	1.9
191.14386	8.5
207.10156	5.7
209.11748	17.9
225.11252	2.2
235.08188	6.5
237.11287	3.3
245.19060	17.9
263.07690	2.1
263.20163	2.9
271.16946	4.8
277.21707	90.0
278.22009	6.2
281.54617	1.8
287.07645	4.0
289.18097	91.1
290.18539	5.7
305.08743	3.3
307.19159	100.0
308.19397	6.5
309.20731	1.9
379.12460	7.9
397.13489	62.7
398.13541	4.4
415.14526	23.7
416.15094	1.9
517.76526	2.2
574.47260	1.9
687.32477	6.8
703.02820	2.0
705.33606	3.2
772.11102	2.1
965.54510	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	1025.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	35.4
72.99168	3.5
73.02805	3.5
76.18657	2.3
78.95796	3.5
83.01266	5.5
85.02830	9.7
87.00764	11.0
87.46910	2.7
89.02332	27.1
97.02843	5.0
97.06475	4.5
98.19821	4.5
99.00747	3.9
101.02315	23.7
109.06504	4.7
111.04350	2.7
113.02337	11.2
116.92758	4.2
119.03394	6.2
123.04391	4.9
125.02335	11.5
125.09632	6.4
139.03937	3.7
142.62617	3.2
143.03413	3.8
148.22314	2.5
161.04512	4.6
163.11208	7.1
179.05547	7.6
185.11797	4.6
188.15767	2.3
191.14323	8.6
207.10262	2.8
209.11797	10.8
221.06673	3.8
225.11345	4.2
225.13980	2.4
235.08176	11.3
237.11284	3.4
245.19104	15.4
245.21417	2.9
277.21716	99.4
278.22110	8.8
289.18106	100.0
290.18481	7.9
305.08759	3.0
307.19144	86.3
308.19424	6.8
379.12195	8.1
397.13467	82.8
398.13882	5.2
415.14636	27.9
439.38611	2.9
687.32593	5.3
965.54895	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	1027.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	10.5
73.02811	2.5
75.00756	3.6
78.95785	0.8
83.01237	1.2
83.04893	0.7
85.02818	7.2
86.03204	0.8
87.00753	9.0
88.01127	0.6
88.98666	0.8
89.02310	1.5
91.05399	0.6
93.03358	0.5
95.01250	1.3
96.95875	1.8
96.99209	3.3
98.20401	0.8
99.00749	5.3
101.02307	1.8
108.02016	0.7
113.02325	3.3
115.00283	0.6
119.04854	0.7
121.02830	1.8
123.04382	1.0
129.01836	4.3
130.02127	0.7
130.99750	1.7
131.03397	2.4
135.04390	0.9
137.02303	1.7
138.73872	0.6
143.03415	1.3
143.52220	0.6
147.04411	3.8
148.05063	0.7
149.02354	1.0
149.06000	0.7
151.00325	1.4
159.04398	0.9
161.02309	1.2
163.00296	0.9
163.03912	0.7
175.03929	1.1
177.01826	3.2
179.03383	0.6
187.03886	0.7
189.45735	0.6
191.05498	0.9
192.04254	1.5
193.04976	0.8
198.03149	1.3
201.01840	0.9
201.05473	0.6
205.07149	0.6
207.06660	0.7
209.11905	1.4
210.03140	1.8
211.03931	0.9
211.13307	2.3
213.01903	1.2
213.05531	1.1
214.02539	1.0
218.02106	1.6
225.01845	1.0
225.05490	1.6
226.02609	4.3
227.03456	1.0
229.01282	1.4
230.02179	0.9
239.03398	0.9
241.01511	0.7
241.05122	0.6
242.02080	5.3
245.04584	1.1
253.01404	1.7
254.02119	3.0
254.04419	0.8
255.02740	0.7
256.07407	0.7
267.02652	0.7
269.00900	1.5
269.04428	1.5
270.01740	9.0
271.02219	1.3
281.00751	0.8
282.01807	1.0
283.02423	2.3
284.03226	1.8
285.04016	14.8
286.01187	1.0
286.04269	1.4
290.02295	0.7
291.02960	0.7
295.02472	1.0
297.04031	3.9
298.01154	4.3
299.02124	1.4
299.05609	3.2
312.02814	2.5
313.03552	66.2
314.04031	4.9
327.05167	6.9
327.08707	0.8
328.05850	21.5
329.02994	2.4
329.06519	1.8
332.03012	1.0
342.07388	2.0
343.08228	47.9
344.04858	0.8
344.08560	4.2
346.01117	0.9
347.01910	1.1
352.54468	0.7
359.07565	2.2
361.03455	2.1
373.03607	1.0
375.01370	1.3
377.02747	1.2
389.02975	2.3
390.03534	1.6
391.04465	1.3
403.00735	0.7
405.02017	0.9
407.07886	1.0
415.04013	0.6
417.02322	2.3
418.03229	2.5
419.03760	4.3
433.05746	1.4
434.06534	0.8
435.07504	0.8
445.02054	2.4
447.07269	1.4
448.08139	2.9
449.08926	3.8
463.06635	1.4
475.06616	1.3
495.07086	1.0
523.06714	0.8
538.09802	0.8
551.06342	1.8
553.11383	2.1
566.08746	1.2
567.05634	1.7
569.11395	0.9
581.10962	4.2
597.10455	3.0
609.10492	2.1
611.15869	0.8
625.10126	3.2
627.11566	0.8
637.10651	1.1
653.09558	2.4
655.14465	6.9
656.14752	0.9
667.14020	1.8
668.13434	0.8
683.14026	18.0
684.14453	4.8
685.15601	47.7
686.16016	8.6
791.16443	2.5
792.16785	0.8
896.51025	2.2
994.50720	5.2
995.51581	2.2
1008.47339	2.6
1009.46057	2.9
1026.53284	28.9
1027.23083	100.0
1027.54224	14.9
1028.23279	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	35.0
72.99168	3.4
73.02830	7.8
81.03335	3.4
83.01260	8.9
85.02824	7.1
87.00759	10.9
89.02324	28.5
97.02839	6.5
97.06447	4.5
98.19790	6.8
101.02334	27.0
113.02341	21.6
115.72672	2.6
119.03383	8.2
123.04393	2.7
125.02303	10.7
125.09590	4.6
137.09650	3.6
143.03383	4.7
161.04433	7.4
163.11206	8.1
165.12761	3.1
179.05528	6.4
181.12308	2.6
185.11813	5.6
189.20500	2.2
191.14323	10.2
207.10130	2.8
209.11810	19.4
211.13148	2.5
235.08266	11.1
237.11333	3.2
245.19141	16.4
263.20255	3.8
271.16992	4.1
277.21725	100.0
278.22052	8.9
287.07477	3.7
289.18100	88.5
290.18323	7.8
305.08786	2.4
307.19147	96.7
308.19489	8.2
379.12476	9.5
381.93893	2.4
397.08389	5.0
397.13516	90.9
398.13818	6.4
415.14627	22.7
458.42001	2.5
509.43527	2.2
662.43646	2.8
965.54395	9.6
1025.49329	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	1025.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	25.9
71.09150	1.0
72.99174	1.8
73.02813	6.9
75.00745	9.3
78.95775	0.8
79.95602	0.6
83.01261	4.1
85.02824	19.0
85.99974	1.5
86.03126	0.9
87.00751	16.6
87.04395	2.0
88.98685	0.5
89.02314	2.9
91.05420	1.1
93.03346	1.4
95.01276	3.4
95.04955	0.8
96.95891	6.7
96.99189	10.7
97.02822	0.6
98.95478	2.0
99.00755	14.2
99.04395	0.6
101.02322	4.3
103.03901	1.4
103.05422	0.5
105.03334	1.3
108.02063	0.5
111.00761	1.0
113.02332	10.7
113.03082	0.9
115.00243	1.3
115.03911	1.5
116.92725	0.6
119.03401	0.8
119.04935	1.4
121.02852	2.4
122.03660	1.2
123.04436	0.8
125.02375	1.0
129.01830	13.3
130.99738	1.8
131.03400	5.6
133.02890	0.7
134.03636	1.4
135.04460	0.9
137.02325	1.5
143.03387	4.2
145.02829	0.8
145.04932	1.1
146.03619	0.8
147.04428	7.6
148.05115	1.4
149.02313	0.6
149.05969	1.4
157.01349	1.0
159.04431	1.3
161.02234	0.5
161.06035	0.6
163.02524	0.6
163.03906	1.2
163.06000	0.8
164.04691	0.6
165.01863	0.5
165.05434	0.5
168.91995	0.4
171.10184	0.8
172.05209	0.9
173.04485	0.8
173.06001	0.9
175.03920	1.0
183.13875	0.6
186.06706	0.6
187.04010	0.6
187.07527	0.7
188.04674	0.6
189.05388	0.7
191.03429	1.7
191.05370	0.7
192.04155	0.8
193.04947	1.1
193.12326	0.8
201.05540	0.7
201.09201	1.0
203.06874	0.6
205.07135	1.8
209.11725	1.3
211.13359	5.1
214.06279	0.5
218.02161	1.7
237.04179	0.5
253.09315	0.7
255.05281	0.6
285.04214	0.6
297.15076	1.3
298.15512	0.6
313.03455	1.0
314.83295	0.5
315.16083	0.8
329.13782	0.6
341.17661	0.9
341.23349	1.4
342.07373	1.2
343.08136	2.6
344.08499	0.6
439.35718	2.4
509.40161	1.0
571.39850	1.0
895.50446	6.6
896.51843	1.0
921.53589	0.7
949.52466	1.4
989.47668	0.6
993.50684	19.4
994.51404	4.5
1007.46356	5.8
1008.47711	1.5
1025.53101	100.0
1026.53430	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	0.5
75.00747	1.3
83.34849	0.2
85.02831	2.4
87.00750	0.8
89.02324	0.6
89.03858	0.2
91.01786	1.4
93.03339	0.4
95.01249	0.5
98.29979	0.1
99.00790	1.1
102.37637	0.1
103.00248	0.4
108.02064	0.3
109.02802	0.2
113.02337	2.8
117.03339	0.7
121.02842	1.3
129.01831	0.3
133.02812	0.1
134.03641	7.2
135.00787	3.3
135.04382	0.3
136.01111	0.2
146.61798	0.2
148.00482	0.2
148.01588	2.6
149.02318	0.6
149.04700	0.2
149.05986	0.6
153.01862	2.2
160.01573	0.5
161.02333	0.4
163.00290	2.9
164.00620	0.2
171.84921	0.2
172.05199	0.2
175.02451	0.3
175.03920	0.8
177.01836	0.2
179.03461	0.2
183.04419	0.2
191.03416	0.2
191.05539	0.2
193.05011	4.0
199.03882	0.3
200.04733	0.6
207.04993	0.2
210.03036	0.3
211.03937	0.6
213.05428	0.2
226.02596	0.2
227.03464	11.0
228.03891	0.7
229.05002	0.6
231.05038	0.3
238.02623	0.4
239.03479	10.4
240.03981	0.7
241.04951	0.2
249.06145	2.6
255.02982	34.3
256.03519	3.4
257.04477	0.7
267.02878	0.3
267.07169	6.9
268.07608	0.2
283.02490	1.2
284.03271	56.5
285.03897	9.7
286.04391	0.6
327.05084	0.3
419.43027	0.2
425.10690	0.2
429.07910	0.2
443.11972	28.0
444.12234	1.9
447.09528	0.6
579.13568	100.0
580.13898	10.9
580.27661	0.2
837.77570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	18.9
72.01608	0.3
72.99191	1.5
73.02821	4.9
75.00749	10.7
81.03371	0.7
83.01265	3.3
83.04908	0.4
84.02061	0.3
85.02826	15.2
85.99963	1.3
87.00755	8.2
87.01267	0.5
87.04384	1.5
88.98656	0.5
89.02314	2.7
93.03373	0.5
95.01264	3.1
95.04901	0.3
96.50885	0.2
97.02834	7.7
98.03200	0.4
99.00763	10.5
99.04419	0.3
101.02324	3.3
103.03928	1.0
105.32397	0.2
108.02074	0.3
109.02819	0.5
111.00766	0.9
112.01653	0.3
113.02334	8.8
115.03904	1.6
116.92790	0.3
119.03400	0.4
119.04934	0.6
121.02857	0.8
123.00745	0.4
125.02339	12.0
126.02653	0.2
130.04062	0.3
130.99806	0.3
131.03407	4.9
133.01875	0.2
133.02875	1.0
134.03642	0.3
135.04376	0.4
137.02299	0.6
139.00288	1.0
139.03975	0.4
143.03397	3.9
143.04936	0.9
145.02835	1.3
145.05022	0.5
145.06479	0.5
145.18518	0.3
146.03662	1.9
147.04437	2.8
148.05167	0.6
149.06038	0.7
156.05745	0.9
157.01373	0.8
157.06512	0.4
158.03658	0.5
158.07265	0.5
159.04424	4.5
159.08133	0.5
160.05174	0.3
161.02382	0.6
161.06030	0.7
163.03972	0.4
163.06068	0.8
168.05766	0.3
169.06570	0.8
170.03679	0.3
171.04427	1.8
171.08110	2.5
172.05219	8.0
172.06709	0.4
173.02449	1.3
173.05989	5.2
174.03165	1.5
174.06775	1.9
175.03973	0.6
175.07570	2.2
182.03836	0.3
183.04469	0.4
183.13861	0.8
184.05254	0.3
185.06010	6.3
186.06776	4.3
187.03983	2.3
187.07562	6.7
188.04774	0.5
188.08115	0.8
189.01923	0.4
189.05527	0.6
189.09065	0.5
191.03427	2.3
191.05243	0.3
196.05231	1.4
197.06020	2.7
198.06871	0.6
199.04030	0.9
199.07591	5.1
199.11296	0.3
200.04701	2.7
200.08336	2.0
201.05484	2.6
201.09145	14.3
202.06297	3.4
202.09566	1.0
203.07051	1.5
205.07104	2.0
209.06114	0.6
209.11772	5.7
210.06737	0.3
210.12141	0.5
211.07594	1.7
211.13344	4.4
213.05592	2.3
213.09262	0.7
214.06317	4.5
215.07091	6.9
215.10643	3.3
216.04272	0.4
216.07773	1.0
216.11536	0.9
217.08768	0.3
218.02135	0.4
218.05873	1.1
219.06633	0.3
223.07712	1.0
224.08469	0.6
225.05603	0.3
225.09157	2.5
226.09924	1.7
227.07175	0.7
227.10764	1.3
227.12801	0.4
228.07965	1.0
229.08658	6.9
229.10892	0.4
230.09210	0.4
231.06679	1.6
232.03827	0.3
232.07410	0.6
239.10806	0.8
241.08705	0.5
243.06624	0.5
243.10240	9.9
244.07433	0.5
244.10942	2.3
245.08180	6.0
245.11827	0.6
246.08781	0.3
247.08336	0.5
253.09264	0.4
259.05991	0.3
259.09833	0.4
269.08237	0.7
270.09109	0.5
271.13565	0.4
283.13541	0.8
285.04108	0.3
287.09375	0.8
288.10117	1.2
289.11002	0.6
289.14459	0.4
297.14886	2.6
298.15598	0.4
311.12955	0.6
311.16473	0.7
313.03851	0.5
313.07410	1.0
314.08084	0.8
315.08771	0.3
315.16107	1.1
321.14987	0.4
323.16812	0.5
325.14517	0.7
327.12479	0.4
332.08969	1.4
333.09897	0.6
339.16116	0.7
341.17731	0.5
343.08264	0.5
357.17383	0.4
445.20993	0.3
465.37204	0.3
491.13361	0.3
492.94098	0.3
551.25391	0.3
565.39093	1.2
566.39813	0.4
567.40637	0.3
635.43427	0.3
725.43097	0.3
775.36230	0.5
786.39514	0.4
804.40411	0.5
871.12030	0.3
906.38739	0.6
945.44708	3.1
946.46295	0.9
971.43085	0.5
977.47644	0.9
978.48608	0.5
989.44641	0.8
990.44861	0.5
1003.52264	1.8
1004.51776	0.5
1021.53894	100.0
1022.54144	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	1021.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	18.5
72.01588	0.2
72.99181	1.6
73.02820	5.3
74.03156	0.1
75.00747	10.0
76.63732	0.1
81.03362	0.4
83.01259	3.0
84.02041	0.2
85.02825	15.0
85.99969	1.7
86.03146	0.2
87.00751	6.6
87.04393	2.0
87.04895	0.1
88.01099	0.1
89.02317	2.2
95.01266	2.6
97.02831	7.7
98.03191	0.1
98.20483	0.1
99.00758	11.4
99.04394	0.3
100.01046	0.1
100.01602	0.1
101.02323	2.4
103.03896	0.9
107.01264	0.2
111.00784	0.6
112.01575	0.5
113.02335	7.5
114.02631	0.1
115.00282	0.4
115.03899	2.5
119.03395	0.3
123.00768	0.2
125.02339	11.8
126.02667	0.3
127.03895	0.2
129.01823	0.1
131.03401	5.2
132.03729	0.1
139.00253	0.4
141.01797	0.1
142.02612	0.2
143.03409	3.9
144.03757	0.1
145.04965	0.7
147.04457	0.1
157.01337	0.8
163.06015	1.1
191.05504	0.1
205.07117	1.9
247.08203	0.3
265.72589	0.1
439.36029	0.1
453.12140	0.1
465.37280	0.5
535.41541	0.1
565.38940	1.2
566.39240	0.2
567.40564	0.3
635.43604	0.5
681.43524	0.3
687.45258	0.1
707.41333	0.2
725.42603	0.5
833.50323	0.2
875.48132	0.1
895.48199	0.1
921.51917	0.3
1003.52661	2.0
1004.52887	0.5
1021.53754	100.0
1022.54034	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82498	0.4
71.01255	16.8
72.01586	0.4
72.99183	1.7
73.02818	4.2
73.83768	0.2
75.00748	9.2
81.03352	0.3
83.01251	2.8
84.02072	0.3
85.02824	12.9
85.99976	1.2
87.00227	0.4
87.00755	6.5
87.04400	2.0
89.02326	2.3
92.42456	0.2
95.01263	2.6
97.02832	6.1
99.00759	10.4
99.04405	0.4
100.01064	0.2
101.02319	2.2
103.03881	0.9
111.00755	0.5
112.01559	0.2
113.02329	6.3
115.00296	0.2
115.03918	1.4
119.03385	0.3
121.06348	0.2
123.00802	0.2
125.02340	9.5
131.03403	4.5
139.00328	0.5
143.03403	3.9
145.04950	0.6
147.04411	0.5
149.06009	0.2
157.01337	0.8
163.06009	0.7
188.04715	0.2
192.04178	0.2
205.07143	1.9
209.11862	0.4
211.13377	0.3
235.35387	0.2
247.08176	0.2
313.03400	0.2
342.07532	0.3
448.49600	0.2
465.37357	0.5
565.38983	1.8
566.39264	0.3
635.43237	0.6
681.43726	0.3
725.42603	0.3
1003.53192	1.9
1004.52704	0.5
1021.53796	100.0
1022.54108	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	1021.538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	17.1
71.33776	0.2
71.34121	0.2
72.01582	0.4
72.99179	1.5
73.02821	3.8
75.00750	10.0
81.03334	1.3
83.01261	16.3
84.01610	0.2
84.02056	0.2
84.77425	0.2
85.02828	12.2
85.79748	0.1
85.99979	1.4
86.03140	0.2
87.00752	6.9
87.04398	1.7
88.98655	0.2
89.02325	1.8
94.87748	0.2
95.01268	2.8
96.95914	0.2
97.02832	3.6
99.00761	10.4
99.04439	0.5
100.01046	0.2
101.02312	2.3
103.03902	0.9
107.01322	0.2
109.02869	0.2
111.00775	0.6
112.01569	0.3
113.02335	6.2
114.02675	0.2
115.00264	0.5
115.03905	1.4
119.03390	0.3
119.04954	0.2
121.02870	0.2
123.00736	1.1
125.02342	47.1
126.02692	1.2
127.03938	0.2
131.03404	4.9
135.04387	0.2
137.02327	0.3
139.00348	0.3
143.03400	3.3
144.03679	0.2
145.04977	0.5
146.03639	0.4
147.04417	1.1
149.05972	0.3
157.01343	0.8
159.04372	0.3
161.02472	0.2
163.06018	0.9
171.10246	0.2
172.05214	0.3
173.05923	0.3
175.07535	0.4
183.13876	0.3
185.05981	0.5
187.07565	0.5
188.04749	0.2
191.03407	0.2
192.04205	0.3
197.05954	0.2
201.05560	0.2
201.09213	0.5
205.07079	2.1
211.13351	0.3
214.06319	0.2
215.06999	0.3
216.07779	0.2
229.08636	0.2
243.10193	0.4
247.08444	0.2
283.13541	0.2
285.07724	0.2
290.78546	0.2
297.14978	0.2
309.20749	0.3
313.03671	0.3
333.09891	0.3
343.08118	0.6
353.72476	0.2
565.38763	1.4
566.39581	0.3
635.43408	0.5
725.42181	0.3
865.82556	0.2
895.50507	0.5
1003.52753	1.9
1004.52094	0.5
1020.52924	0.6
1021.53778	100.0
1022.54083	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	1019.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	17.9
72.01611	0.2
72.99186	1.9
73.02820	4.5
75.00748	9.3
75.74322	0.1
79.01752	0.1
81.03320	0.2
83.01259	1.7
84.02043	0.2
85.02824	13.1
85.99979	1.2
86.03157	0.3
87.00752	5.9
87.04404	1.7
88.03902	0.3
89.02319	1.8
93.03310	0.2
95.01263	13.8
96.01578	0.1
97.02827	1.4
98.20682	0.2
99.00758	13.6
99.04379	0.2
100.01110	0.2
101.02322	2.0
103.03902	0.8
107.84460	0.1
109.02831	0.2
111.00772	0.6
112.01573	0.3
113.02332	6.6
114.02677	0.2
115.00238	0.3
115.03891	1.5
116.92738	0.5
119.03392	0.4
119.04932	0.3
123.00771	14.3
124.01131	0.5
125.02332	2.2
131.03401	4.3
132.02921	0.7
132.03770	0.2
137.02370	0.2
139.00288	0.4
140.01033	0.2
141.01843	3.1
143.03392	3.3
145.04984	0.6
147.04419	0.2
157.01309	0.7
161.04471	0.2
163.03918	0.2
163.06023	0.8
191.03453	0.2
205.07098	1.6
230.10782	0.2
247.08218	0.3
324.11331	0.1
365.23965	0.1
413.32813	0.1
427.05392	0.2
439.35757	0.4
723.41522	0.4
878.50769	0.2
948.51355	0.2
957.53809	0.2
1001.51111	2.1
1002.50208	0.7
1019.52222	100.0
1020.52478	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	11.6
72.99179	1.2
73.02823	1.9
80.02560	0.4
81.03306	0.5
83.01265	1.6
83.04903	1.0
85.02821	9.0
87.00759	3.9
89.01772	0.5
89.02314	8.4
92.91106	0.4
93.06995	0.5
95.01256	0.8
95.04910	0.9
96.95908	1.2
97.02837	4.2
97.06467	2.2
98.19762	0.7
98.95477	0.5
99.00732	0.9
101.02325	8.4
109.06422	0.7
111.04405	0.6
111.08025	3.4
112.79394	0.4
113.00853	0.4
113.01693	0.6
113.02340	4.5
119.03366	2.3
125.02341	3.0
125.09624	1.3
127.11211	2.2
128.24347	0.4
135.04356	0.5
137.09615	3.3
143.03372	1.3
145.41968	0.4
147.04411	0.7
149.05998	0.5
153.09105	0.5
155.10732	0.6
159.04515	0.6
161.04469	1.4
163.11130	0.8
164.37543	0.4
165.12778	1.2
169.12268	1.9
169.72675	0.4
171.10182	26.2
172.05231	0.5
172.10477	1.0
173.06013	0.6
175.03958	0.4
177.12680	0.6
179.05530	3.5
181.12292	0.6
183.13831	2.8
185.11763	0.6
193.12276	0.7
193.28343	0.5
195.13887	0.7
197.11769	15.0
198.12099	0.9
198.53191	0.4
199.13284	0.6
201.11237	1.2
203.10562	0.8
209.11775	2.2
211.13330	12.3
212.13698	0.6
221.06616	0.9
221.11723	1.5
227.12849	1.6
229.14412	6.6
230.14935	0.6
235.08220	2.9
239.12839	1.4
247.20650	1.5
263.20084	1.0
273.18588	0.8
287.07794	0.9
291.19684	11.6
293.21185	2.4
305.08664	0.8
309.20709	48.2
310.21069	3.2
313.03625	0.6
323.09747	0.6
325.20139	1.1
327.21759	100.0
328.22119	8.8
343.08191	2.0
343.21259	5.1
344.08353	0.6
351.21817	0.7
369.22687	0.5
379.12445	0.6
397.13498	24.7
398.13751	1.9
415.14581	20.0
416.14969	1.3
527.28729	0.5
556.35760	0.5
600.02252	0.4
619.42102	4.3
620.41864	0.7
689.33838	0.7
707.34894	10.8
707.46442	0.9
708.35236	1.8
725.36005	6.3
726.36475	0.8
741.35889	0.7
1017.54462	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	1018.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	6.3
73.02829	0.8
74.43305	0.8
74.81680	0.8
83.01258	1.0
85.02831	5.3
87.00757	3.9
89.02301	2.0
90.74174	0.7
95.01260	0.9
96.95881	3.1
99.00762	1.4
101.02328	4.1
111.00742	2.1
113.02333	2.4
116.92719	2.0
117.27719	0.8
128.57613	0.7
147.04439	1.1
158.03583	1.6
161.02335	2.5
161.04459	1.3
171.10185	1.1
172.05197	3.3
174.03130	1.1
175.03899	0.9
183.04440	28.2
184.04825	0.9
185.04498	1.2
185.06017	10.1
186.06381	1.0
187.03876	2.2
190.64192	0.7
195.04367	1.1
195.08073	1.0
196.05283	3.5
197.06017	11.8
198.06810	11.9
199.07610	5.9
209.11786	0.8
211.07530	2.2
211.13202	1.2
227.10733	0.8
242.05849	1.1
253.09145	0.9
267.13873	11.9
268.14236	1.0
271.02451	1.0
277.21713	32.1
278.21964	1.9
279.17755	1.1
283.13388	9.5
295.17111	0.9
297.18808	0.9
299.02100	1.6
299.12805	2.6
300.13760	5.0
301.14465	7.1
305.15530	1.3
323.16510	16.6
324.17108	1.1
341.17529	12.9
342.17932	1.1
355.18985	2.2
357.16919	0.8
367.15390	2.7
375.18097	2.4
399.18167	1.5
415.14987	1.0
472.04605	0.9
577.26776	1.9
592.25067	0.8
610.92932	0.8
796.44257	6.4
797.44446	1.4
837.48102	2.5
838.48743	0.8
863.45410	1.6
869.50372	2.2
872.86420	1.0
881.47058	17.6
882.46948	4.6
907.45630	3.7
913.49597	30.0
914.49939	5.6
925.45178	1.0
939.47327	4.7
940.47620	1.2
957.48499	100.0
958.48822	25.1
1000.50476	1.0
1018.45770	1.3
1019.52429	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	1007.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	21.1
71.09002	1.3
72.99174	1.5
73.02814	4.9
73.76802	0.4
75.00748	10.0
83.01244	3.1
84.08244	0.4
85.02825	15.8
85.99981	1.4
87.00749	9.0
87.04382	1.5
89.02332	2.7
91.05395	1.3
95.01279	2.5
95.04927	0.5
99.00762	10.3
101.02317	3.1
101.45867	0.5
103.03903	0.8
105.03341	1.0
105.68392	0.5
111.00777	1.4
113.02332	8.2
115.00257	0.6
115.03873	1.3
119.04910	1.2
121.02850	1.8
125.02303	0.6
129.01830	5.8
129.03360	0.6
130.99699	0.5
131.03409	4.8
137.02344	1.7
138.02606	0.4
139.03906	0.7
143.03419	3.3
145.02829	1.1
146.03627	0.8
147.04416	9.9
147.06247	0.5
148.05280	2.1
149.05971	1.0
157.01367	0.5
162.06796	0.5
164.04655	0.5
171.10101	0.7
174.03214	0.5
191.03435	1.7
192.04166	2.3
205.07126	1.9
211.13390	2.2
217.01393	0.5
218.02165	1.7
254.04436	0.6
297.14859	0.6
311.16495	0.5
312.02753	0.8
313.18185	1.4
331.19003	0.6
333.09869	0.8
341.17734	0.6
342.07458	2.7
343.08231	1.6
551.37512	1.7
801.83197	0.6
837.35199	1.6
989.50323	2.3
1007.52222	100.0
1008.52618	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	26.5
57.03316	14.9
57.25723	2.9
58.00457	7.2
59.01252	76.8
60.01583	3.1
68.61205	2.6
68.99670	4.5
71.01251	44.3
71.52288	3.3
72.01582	3.0
72.99182	8.4
73.02822	100.0
83.01260	4.7
85.99997	16.1
86.00403	2.8
100.94505	17.3
101.02326	57.0
102.05494	11.4
102.22914	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	1011.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	22.4
72.01579	0.3
72.99186	1.8
73.02821	5.5
75.00748	10.8
83.01254	2.9
85.02822	16.3
85.99981	1.4
87.00752	7.4
87.04390	2.0
88.98669	0.5
89.02319	2.6
95.01257	2.8
96.95850	0.3
97.02826	0.4
98.20561	0.7
99.00756	10.8
101.02318	2.8
103.03883	0.8
109.19858	0.2
111.00780	0.5
112.01517	0.5
113.02333	7.2
115.03898	1.6
119.03347	0.3
123.04427	1.8
131.03404	4.9
139.00247	0.3
143.03404	3.6
145.04958	0.5
146.04469	0.7
147.04456	0.4
148.05135	0.3
149.05951	0.6
157.01274	0.8
163.05997	0.8
189.04051	0.3
193.04961	0.4
195.02914	0.3
205.07147	2.0
229.49930	0.4
255.05038	2.9
291.19571	0.5
293.21283	2.2
309.20682	1.3
392.10175	0.3
555.40411	2.6
556.40753	0.5
625.44818	0.7
669.43689	0.4
697.42480	0.4
715.44336	0.5
949.55444	0.4
975.48846	0.3
993.54034	2.8
994.54395	0.5
1011.55347	100.0
1012.55701	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	1013.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	24.3
71.54472	0.5
71.77711	0.3
72.70864	0.4
72.99190	2.1
73.02826	5.6
75.00744	7.5
83.01266	3.0
85.02827	16.3
85.99962	1.0
86.03201	0.5
87.00755	20.4
87.04395	1.2
89.02303	2.8
93.03320	0.4
95.01274	2.0
99.00756	14.6
101.02324	8.4
103.01338	0.5
103.03901	1.1
108.02068	0.6
109.02816	0.9
111.00703	0.5
113.02325	8.3
115.00271	0.6
115.03895	1.1
119.04878	0.7
121.02839	1.2
123.04443	0.9
125.02320	0.5
127.98813	0.4
130.99757	3.5
131.03413	4.0
134.03632	1.2
135.04396	0.6
136.01454	0.5
137.02341	1.4
139.00261	0.7
143.03374	2.6
145.02859	1.0
145.04922	0.7
146.03481	0.5
147.04422	2.4
149.05946	0.9
150.03131	0.4
151.03934	2.0
152.01033	0.5
157.01433	0.6
159.04448	1.3
160.05113	0.5
163.03973	0.8
164.04646	0.5
165.05498	0.4
173.05969	2.7
174.03239	0.4
174.06796	0.9
175.03928	0.8
175.07576	1.1
186.06750	0.8
187.04033	0.5
187.07578	1.2
187.12619	0.4
188.04793	0.5
189.05521	0.6
189.09093	0.6
191.03362	0.8
193.04991	1.8
198.03168	0.4
199.07564	1.1
200.08272	0.7
201.09096	1.0
202.06227	0.6
203.07063	1.1
205.07158	1.2
209.05980	0.5
211.13387	1.1
215.07114	1.1
216.07854	0.6
217.08612	1.2
218.09436	1.4
226.67592	0.4
227.07057	1.1
228.07773	0.5
229.08354	0.4
243.06454	0.9
243.10277	1.0
267.89484	0.5
271.02744	0.4
271.06311	0.5
271.13278	0.4
299.05463	0.4
313.03592	1.6
313.14340	0.7
317.10352	1.9
325.14453	0.8
328.05878	0.5
341.13925	0.4
343.08273	2.8
350.10010	4.3
351.10126	0.5
369.13245	0.4
429.15540	0.5
437.33978	1.1
447.16580	21.4
448.16852	2.7
455.35342	1.0
521.16656	0.6
549.19354	0.5
559.40271	0.6
717.42151	1.7
995.50812	1.8
1013.53308	100.0
1014.53613	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	1014.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76304	100.0
84.94150	57.7
111.60381	70.8
154.28955	61.1
155.28175	51.5
293.21130	60.0
294.21600	70.6
397.13611	58.2
595.55872	63.6
635.70734	83.2
642.72162	55.9
837.77216	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	11.7
72.99175	0.9
73.02830	1.2
75.77506	0.6
83.04879	1.2
84.02039	1.1
85.02830	2.9
87.00749	3.6
89.02316	7.9
93.03278	0.7
95.01267	1.2
96.95879	2.9
97.02822	2.0
97.06458	6.1
99.00751	1.2
101.02328	8.3
107.01794	0.7
109.06570	0.6
113.02330	4.8
119.03392	2.0
125.02332	2.8
125.09666	1.2
127.11160	0.8
137.02328	0.7
137.09555	1.1
149.06015	0.8
161.04474	2.1
163.11206	0.9
171.10173	7.4
175.11165	0.8
177.12804	0.9
178.37263	0.7
179.05542	2.8
185.11722	1.1
192.04172	0.8
193.12288	8.4
195.13853	4.7
209.11754	1.3
211.13313	4.0
221.06636	1.0
221.11670	1.1
223.13364	3.6
225.14919	14.1
226.15347	1.2
235.08221	3.1
243.16020	6.7
253.09229	0.9
253.14404	1.0
275.20209	3.1
277.21704	1.1
278.81125	0.7
291.19455	1.8
293.21231	57.1
294.21622	5.2
305.08786	1.5
309.20706	1.5
310.94214	0.7
323.22495	1.4
327.21588	0.8
341.23322	100.0
342.23666	7.6
372.36813	0.8
379.12289	0.8
397.13489	19.3
398.13931	1.4
415.14627	15.6
416.14746	1.1
587.41241	0.8
617.44373	5.1
618.44629	1.1
673.36456	0.7
691.35370	2.0
721.35944	3.2
739.37762	5.2
740.38055	1.1
979.51556	1.1
1015.51868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	11.5
72.99153	0.9
73.02798	1.1
75.00734	0.4
78.95755	0.2
80.02537	0.3
81.03341	0.7
83.01253	0.9
83.04901	0.5
84.02006	0.3
85.02351	0.5
85.02822	6.4
87.00755	3.1
89.02323	9.0
93.03347	0.3
95.01241	0.9
95.04877	0.7
96.95855	0.4
97.02837	2.2
97.06459	2.5
99.00743	1.2
101.02322	7.8
109.02850	0.3
111.04405	0.3
113.02329	4.3
115.03863	0.3
116.57523	0.3
119.03406	2.2
119.08537	0.3
120.74436	0.3
121.02826	0.4
123.08042	0.3
125.02369	2.8
125.09617	0.9
127.07506	0.3
127.11147	0.8
131.03334	0.5
137.09634	1.8
139.03902	0.5
141.01768	0.4
143.03429	2.0
145.63400	0.3
147.04332	0.4
149.04474	0.3
149.05907	0.3
155.10680	0.7
156.78624	0.3
161.04472	1.9
163.03990	0.3
165.12785	0.8
167.10611	0.3
167.14282	0.4
171.10182	15.3
172.10500	0.5
177.12747	0.7
179.05539	3.2
179.14293	0.4
181.12167	0.4
183.13849	2.2
185.11740	1.0
193.12247	0.9
195.13850	5.5
197.11705	0.8
201.11224	0.6
203.10658	0.5
205.16093	0.3
209.11723	1.9
211.13342	13.0
212.13638	0.6
221.06598	1.1
221.11761	2.2
223.13318	3.2
225.14862	0.4
227.12788	0.4
228.13571	0.7
229.14421	9.4
230.14752	0.5
231.21007	0.4
235.08197	2.4
239.12877	1.5
243.14812	0.3
247.20572	0.6
253.09315	0.8
256.13104	0.5
263.07721	0.5
273.18759	0.5
275.20163	3.3
287.07736	0.6
291.19687	4.6
292.19901	0.5
293.21222	51.5
294.21542	4.0
295.22205	0.3
305.08774	0.8
309.20703	8.7
310.20996	0.7
323.09753	0.8
325.19998	0.3
327.21756	100.0
328.22079	6.2
397.13495	27.4
398.13708	1.7
415.14575	20.6
416.14951	1.4
603.42694	4.6
604.43207	0.6
673.34528	0.3
691.35492	4.2
692.35278	0.4
707.34979	5.4
708.35217	0.6
725.36005	5.7
726.36261	0.8
1001.56110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03047	0.9
69.03419	18.3
79.05480	0.7
81.03397	0.8
81.07011	0.6
85.02895	9.4
87.04466	4.3
87.82349	0.5
91.05453	2.2
92.65511	0.4
94.04140	1.1
95.04971	0.5
97.02882	6.8
98.20671	0.9
99.04394	0.5
105.07008	1.5
107.04910	0.8
109.02859	0.7
109.06499	0.6
111.86553	0.4
115.03929	2.8
115.05434	1.2
117.07030	0.5
119.04938	2.4
119.05682	0.6
119.08602	0.4
122.03616	2.8
123.04433	0.8
127.03894	4.5
129.06898	0.5
130.04111	1.2
131.04910	0.8
133.02855	0.5
133.04933	1.5
133.06464	1.2
137.05956	56.6
138.06256	0.6
143.04907	0.7
145.06441	0.8
146.03607	0.9
147.04395	2.7
149.05975	1.4
150.06740	1.0
151.03920	2.8
151.07486	0.6
153.01794	0.8
158.03603	0.8
159.04381	0.6
160.05222	0.7
160.34769	0.4
161.05957	4.4
162.06741	4.6
163.03935	0.9
163.07466	0.6
165.07053	0.5
167.07030	1.0
173.05952	3.7
175.03922	2.6
175.07535	1.9
177.05365	1.2
177.06877	0.9
178.06226	2.7
178.07655	0.8
179.03334	0.6
185.05920	0.9
186.03108	3.3
188.04697	0.6
189.05399	1.1
189.06963	2.0
190.07610	0.6
191.06987	0.8
194.07253	1.0
199.03957	0.4
201.05437	34.5
202.05890	0.8
203.06956	1.4
203.08607	0.9
205.06476	7.4
206.07225	2.7
207.06474	1.4
213.05406	3.5
214.06172	0.7
215.07057	0.8
216.04095	0.9
217.06534	2.2
218.07188	1.4
219.08054	1.6
220.05190	0.5
221.05997	2.0
221.09622	1.4
222.06728	2.6
223.07431	1.4
227.06898	1.2
231.06416	4.7
233.05919	8.4
234.06717	12.0
235.07431	3.1
236.04759	0.6
236.08231	0.6
237.05334	0.7
237.09064	7.4
239.06993	1.2
241.08601	0.5
245.05937	3.1
246.06847	1.2
247.07617	2.7
248.08281	1.3
249.05470	1.4
249.09082	6.5
250.06203	6.2
251.07094	2.7
251.09439	0.4
253.05112	0.6
253.08420	0.4
254.05632	0.7
255.02846	4.7
259.05823	0.9
261.05408	3.4
261.09100	0.8
262.06204	12.0
263.07013	3.6
264.07773	3.6
265.08557	17.9
266.09280	2.5
267.06558	1.4
267.83151	0.5
269.04373	1.2
269.08047	0.5
273.05511	3.6
274.06189	1.8
275.07004	1.4
276.07764	1.9
277.05121	1.3
277.08542	18.5
278.05682	3.8
278.08795	1.1
279.06522	3.2
279.10095	2.3
280.07297	0.8
281.04443	0.7
281.08038	0.8
282.08789	2.0
283.02292	1.6
283.05740	0.9
283.09531	1.0
287.05219	5.2
289.04895	1.1
289.08167	0.5
290.05676	16.1
291.06546	1.0
291.09903	0.7
292.07269	9.2
293.08044	20.0
294.08710	3.5
295.06046	0.9
295.09625	1.7
297.03854	1.7
297.07791	0.8
297.11142	4.4
299.05441	1.1
300.02478	1.7
304.07257	1.6
305.08041	29.9
306.08640	1.5
307.06232	1.5
307.09595	26.3
308.10110	1.0
309.11121	3.4
310.08365	2.3
312.06219	1.0
313.06918	1.0
315.04944	35.5
316.05405	1.3
319.09677	2.5
320.06631	0.5
321.07483	1.2
322.08282	3.1
323.08990	0.5
325.10657	100.0
326.10883	1.7
329.06638	0.6
330.07288	15.0
331.07693	0.6
333.07532	0.6
337.10648	63.3
338.11038	1.0
339.12152	1.6
343.11719	10.4
345.09634	95.8
346.09869	2.2
349.10638	0.9
353.10342	0.6
355.11725	24.6
364.05847	1.1
367.11642	0.8
379.07727	0.5
391.11621	0.5
409.12943	0.9
421.12558	0.8
425.08673	2.1
463.13965	0.6
469.14890	9.4
481.14886	3.8
487.15948	39.1
488.16342	1.3
499.15833	5.5
517.17010	10.2
518.49567	0.5
649.20941	3.5
657.72601	0.6
699.18298	0.5
699.29736	1.5
887.59448	0.5
964.29327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	4.9
71.53049	0.7
73.02820	0.9
78.95786	2.2
85.02828	1.4
87.00735	1.9
88.98651	1.0
89.02307	3.5
96.95886	18.1
101.02326	3.0
107.01282	3.2
108.02061	1.9
113.02321	1.0
121.02855	2.2
125.02366	1.4
147.04367	1.2
148.01521	1.6
148.21791	0.8
151.00262	8.7
159.04454	0.9
163.00314	1.7
171.10182	4.8
178.99873	5.3
183.04330	1.0
187.03888	1.2
191.14528	1.1
197.11765	3.2
198.03197	0.8
199.03963	1.3
203.03423	1.0
211.03851	1.0
211.13350	2.5
215.03384	0.9
226.02623	1.7
227.03555	3.8
235.08118	2.0
243.02950	12.0
244.03564	1.4
254.02242	3.4
255.02968	32.0
256.03323	2.7
271.02478	75.0
272.02939	6.4
277.21704	6.4
289.17993	1.3
293.21304	2.4
299.01978	4.0
300.02747	100.0
301.03351	15.0
309.20673	2.7
311.22379	4.7
316.39951	0.9
325.20209	1.7
327.21625	2.0
343.21259	21.9
397.13464	7.0
415.14581	4.9
445.49292	0.8
723.17651	5.0
724.17059	1.0
741.18677	11.1
742.18396	1.4
898.31683	0.9
1001.40240	52.7
1002.40338	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	991.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.6
69.07056	0.7
71.65485	0.5
71.65899	0.6
73.02916	2.5
79.05492	2.2
81.03417	1.8
81.07045	3.6
83.04984	0.6
83.08612	0.5
85.02895	4.5
87.04458	0.4
91.03939	2.4
91.05454	1.7
93.07037	2.3
95.04983	0.8
95.08607	2.5
97.02879	5.5
97.31918	0.4
99.04459	1.0
101.02384	1.6
105.07066	0.9
107.08615	0.8
109.02882	0.6
109.10172	0.8
117.07083	0.4
119.08570	0.8
121.10131	0.9
127.03926	1.5
131.08595	0.6
133.10156	0.4
135.11679	0.4
145.05006	0.5
145.10069	0.4
147.11708	0.5
149.13297	0.4
149.74625	0.3
185.04227	0.9
203.05286	0.7
243.08443	2.0
333.20276	1.7
347.09671	1.9
363.09195	0.4
365.10593	0.7
389.22922	0.4
405.13718	4.5
439.19504	0.5
453.21140	0.5
519.29236	5.2
519.36725	0.4
551.28210	2.2
681.34308	5.8
682.35364	0.7
692.54694	0.4
713.33221	2.1
829.50580	1.0
991.55878	100.0
992.56189	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	993.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	20.4
69.65787	1.9
69.66214	0.9
71.04955	0.5
73.57970	0.5
79.05460	0.6
81.03386	0.5
85.02883	9.5
87.04442	5.4
91.05465	2.2
91.05951	0.4
94.04147	0.9
95.04928	0.5
97.02870	7.3
102.04655	0.5
103.05428	0.4
105.07007	1.1
107.04922	0.5
109.02818	0.4
109.06493	0.7
111.04419	0.4
115.03906	4.3
115.05419	0.9
119.04936	2.1
121.06473	0.5
122.03626	3.0
123.04352	0.7
123.39268	0.3
127.03893	4.1
130.04126	1.4
131.04904	0.7
133.04915	2.2
133.06430	0.7
134.03610	0.5
135.04305	0.5
137.05943	60.0
138.06294	0.7
143.04913	0.8
145.06454	1.1
146.03592	0.4
147.04370	2.0
149.05986	2.0
150.06729	1.1
151.03883	3.5
153.05418	0.6
157.04095	0.4
158.03636	1.7
159.04379	0.4
161.05959	5.6
162.06720	4.4
173.05940	4.1
175.03918	2.3
175.07510	1.3
176.06136	0.6
177.05429	0.9
177.06902	0.9
178.06161	0.7
178.07710	1.0
183.57431	0.3
185.05930	0.8
186.03094	3.1
187.03938	0.4
187.07509	0.6
189.05478	0.6
189.06946	2.1
190.07814	0.4
191.06921	0.7
191.08476	0.4
199.03828	0.5
201.05415	33.1
202.05873	0.4
202.07751	0.5
203.07021	1.1
203.08656	0.5
204.05688	0.4
205.06447	7.4
206.07303	2.7
207.06456	1.2
211.07495	0.7
213.05350	3.7
213.09306	0.4
214.06061	0.6
215.03459	0.4
215.06897	0.9
217.06529	2.5
218.07347	1.1
219.06285	0.5
219.08067	1.3
220.05135	0.5
221.05943	1.2
221.09532	0.7
222.06677	3.0
223.07576	1.0
226.06128	0.5
227.06972	0.9
231.06339	4.7
233.05919	8.4
234.06708	10.1
235.07474	2.6
236.04660	0.4
236.08144	0.6
237.09027	6.5
238.09657	0.5
239.06978	1.1
240.07713	0.4
244.05251	0.5
245.05898	3.7
246.06691	1.1
247.07507	2.7
248.08246	1.4
249.05396	1.9
249.09087	7.2
250.06216	5.8
250.09071	0.5
251.06914	3.2
253.08591	0.5
254.05659	0.6
255.02766	0.7
259.07654	1.0
261.05444	2.9
261.09262	0.5
262.06174	12.6
263.06982	3.5
264.07687	3.2
265.08527	17.9
266.09207	2.5
267.06464	1.2
268.07187	0.6
269.08008	0.4
272.04626	0.5
273.05399	3.9
274.06119	1.6
275.06934	1.3
276.07669	1.6
277.08517	18.5
278.05682	3.9
278.09213	1.2
279.06503	2.8
279.10089	2.2
280.07175	0.9
281.08029	0.7
281.11945	0.4
282.08850	1.6
283.09518	0.9
287.07260	2.1
289.05023	0.9
289.08539	0.5
290.05682	17.2
291.06277	1.6
291.10019	1.0
292.07242	8.1
293.08005	18.0
294.08765	3.8
295.06400	0.7
295.09576	2.3
297.11102	4.1
304.07236	1.5
305.08008	34.3
306.08511	2.1
307.06070	1.9
307.09555	25.0
308.09924	0.9
309.11069	3.5
310.08319	1.9
315.04932	4.9
319.09607	2.9
321.07565	0.8
321.11115	0.5
322.08295	3.5
323.08981	0.7
325.10629	100.0
326.10898	3.0
330.07288	2.4
335.09137	0.7
337.10620	67.7
338.10938	2.2
339.12125	1.6
343.11734	10.0
345.09637	16.6
346.10013	0.5
349.10532	0.6
351.10730	0.8
355.11691	33.4
356.12042	0.7
391.11459	0.6
409.12729	0.8
421.12509	0.7
435.14539	0.5
451.13889	0.6
463.13785	0.6
469.14871	8.3
481.14893	5.6
487.15894	42.5
488.16156	1.5
499.15936	5.6
517.09174	0.7
517.16956	14.2
518.16998	0.7
577.21979	0.4
645.16089	0.4
649.21075	6.5
650.20667	0.7
699.29425	0.6
768.97931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.9
69.07056	10.3
71.08618	1.7
73.02925	2.8
77.04562	1.1
79.05483	27.0
81.03394	2.0
81.06602	2.1
81.07047	24.8
83.08611	5.1
85.02893	7.2
85.06551	1.1
91.03932	4.6
91.04527	1.1
91.05469	29.3
93.06451	1.6
93.07032	30.5
95.04955	4.6
95.08592	24.0
97.02880	4.9
97.06500	3.6
97.10123	2.1
105.07021	30.2
107.04940	1.7
107.08586	14.5
109.06494	2.7
109.10146	10.4
115.05450	1.7
117.07004	14.1
119.08560	21.4
121.06479	1.4
121.10123	10.6
123.08073	2.1
123.11692	3.3
127.03896	3.0
128.06204	4.2
129.06984	13.2
130.07802	1.5
131.08536	18.1
133.10124	19.3
135.08054	1.6
135.11649	6.3
136.06239	2.9
141.06973	2.6
142.07823	2.4
143.08531	13.4
145.04916	2.5
145.10109	19.2
147.08086	1.4
147.11665	11.7
149.13213	2.7
155.08543	7.9
155.55916	1.2
157.10109	10.5
159.11670	12.4
161.13254	6.8
163.06038	2.7
163.14749	1.5
167.08505	3.4
169.10085	10.4
171.11656	9.2
173.13211	8.0
175.14757	2.5
179.08582	2.1
181.10101	6.0
183.11714	7.9
184.07283	3.0
185.13179	6.6
187.14812	3.3
189.16405	2.1
193.10106	2.1
195.11653	3.9
197.13214	9.2
199.14838	4.4
201.12788	1.3
201.16412	2.2
207.11754	1.6
209.13242	4.6
211.14780	4.5
213.16425	4.7
221.13260	2.1
223.14764	4.3
224.02431	1.4
225.16534	2.9
227.18051	1.8
237.16197	2.8
239.17937	3.3
253.19380	1.7
255.17307	1.6
257.19061	3.2
259.20547	4.3
292.61966	1.2
295.20627	2.0
297.21875	1.6
307.20639	1.3
313.21616	1.8
323.23776	1.4
324.84457	1.3
333.24109	4.2
335.26022	2.3
345.09772	1.2
365.28424	1.9
421.30399	1.5
457.67361	1.4
501.35684	2.9
513.35516	1.5
515.37311	1.5
517.40570	10.4
523.37872	1.4
535.41254	4.6
539.37170	4.6
573.42456	1.7
591.43793	9.7
609.45050	100.0
610.45569	8.5
651.45605	2.1
654.30353	1.4
717.46832	1.7
753.48615	2.2
771.50293	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	991.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.8
77.03929	0.1
78.04697	0.4
83.04974	0.3
85.02898	0.1
89.03899	5.8
89.04456	0.3
91.05466	0.5
93.03388	5.9
95.04945	0.4
97.02874	50.7
98.03210	0.5
98.20731	0.2
103.05447	0.3
104.50579	0.1
105.03366	0.3
105.06989	0.2
106.04163	0.4
107.04990	0.2
109.02914	0.2
109.06602	0.1
110.03662	1.0
111.04425	0.9
115.05442	0.4
117.03355	15.5
118.03677	0.1
119.04923	0.2
121.02841	2.3
123.04386	0.3
124.05216	0.7
125.02341	0.9
125.05948	1.3
127.03921	0.2
127.83192	0.1
128.06216	1.3
129.06979	5.5
131.04887	0.3
131.08548	0.2
134.03630	1.0
135.04413	1.1
137.05949	0.5
138.08902	0.1
139.03888	0.6
139.05392	0.9
141.01796	0.2
141.06955	1.6
143.08429	0.2
145.02815	45.9
146.02191	0.1
146.03160	0.8
146.15596	0.1
147.04405	0.4
149.02318	6.8
149.05948	5.8
151.03859	2.3
151.05042	0.2
153.05444	0.2
155.06032	0.1
156.05655	0.2
157.06462	6.2
158.05965	0.1
158.07246	0.2
159.08107	0.2
161.05980	0.5
162.03091	0.2
163.03877	0.5
163.07529	0.2
167.03377	38.0
167.04820	2.7
168.03743	0.5
169.06461	2.3
170.52829	0.1
171.08015	0.2
173.05901	0.4
174.06778	0.9
175.07503	0.5
177.05434	100.0
178.05789	1.9
183.04356	0.3
184.05164	0.6
185.05943	2.6
186.05405	1.4
187.07536	0.8
188.08269	1.4
189.05450	1.4
189.09071	7.7
195.04366	0.9
195.06235	0.2
197.05968	0.4
199.07503	5.6
200.04620	0.5
200.07968	0.1
201.09012	0.6
207.06476	1.7
212.04614	0.6
213.05450	1.2
214.06163	0.6
215.07010	1.2
217.08557	6.7
218.08922	0.1
227.06989	6.0
229.08498	0.3
231.06569	0.4
233.08098	0.1
245.08055	12.6
246.08392	0.4
255.02740	0.6
255.06393	0.8
259.06091	0.1
263.09042	0.4
273.07550	3.8
287.05392	0.6
291.08572	35.3
292.08847	0.7
300.02594	0.3
309.09650	4.9
310.09824	0.1
313.07019	0.2
315.04907	4.1
315.08542	0.2
321.09616	0.5
330.07281	1.7
339.10699	1.1
345.09625	11.7
346.09720	0.3
360.11789	0.1
485.14240	0.2
647.19482	0.2
649.49054	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.0
69.06740	1.4
69.07061	16.1
71.04966	3.6
73.02913	1.6
79.05480	60.4
81.03399	4.3
81.07044	51.8
83.04958	4.5
83.08613	18.1
85.02908	6.1
85.06496	1.7
91.03939	1.9
91.05467	34.5
93.07029	46.0
94.07328	1.1
95.04967	6.3
95.08591	39.7
95.09200	2.3
97.02874	4.6
97.06497	2.4
97.10153	31.4
105.07016	34.2
107.04933	3.2
107.08577	60.0
109.02863	2.5
109.06512	6.4
109.10149	23.0
111.08052	2.7
115.05386	1.6
117.07001	11.9
119.08560	22.7
121.10126	19.5
123.08047	2.8
123.11689	6.4
125.09610	28.0
127.03842	2.7
128.06215	1.5
129.06989	1.7
131.07642	1.6
131.08553	15.2
133.10110	17.4
135.08049	6.0
135.08934	1.0
135.11658	12.6
137.09607	1.1
137.13184	1.4
141.06985	1.8
143.08533	4.3
145.10109	20.7
147.11670	11.8
149.09572	6.0
149.13249	5.6
153.09082	2.3
153.12685	1.2
155.08488	2.6
157.10127	5.5
159.11693	10.4
161.13222	5.8
163.11182	2.4
163.14804	2.3
171.10240	1.7
171.11588	5.3
173.11757	1.7
173.13193	7.2
175.11159	1.9
175.14792	2.2
181.12238	1.1
183.11673	3.0
185.13196	3.3
187.14766	4.0
189.11197	17.0
197.13278	2.7
199.13142	1.2
199.14711	2.2
201.16350	1.4
227.12741	32.9
229.90582	1.5
237.80678	1.0
239.17758	2.2
241.19493	1.4
243.21092	3.4
245.13773	2.4
257.18970	7.6
259.20514	4.1
261.22122	13.1
275.20035	32.7
277.21628	1.3
291.19458	1.1
292.19858	1.4
293.21106	2.2
313.27383	2.1
315.75974	1.1
317.24594	2.4
331.22662	4.7
333.24213	4.5
335.25751	76.8
336.26068	4.2
349.23663	40.7
350.23917	2.4
351.25403	2.8
367.30035	2.0
389.18024	3.0
395.29324	1.1
430.72546	1.0
487.34097	4.1
505.35101	15.9
517.40607	1.6
535.41077	2.0
553.42621	1.8
591.43884	2.9
609.45032	100.0
610.45435	6.6
627.46130	19.5
649.39209	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	986.6031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	8.2
69.05474	0.7
69.07058	26.0
71.04978	3.8
71.08605	1.4
72.02290	0.8
73.02897	2.8
79.05479	61.1
81.03403	11.1
81.07044	83.1
82.07378	1.4
83.04968	9.6
83.08604	12.7
85.02895	11.0
85.06535	3.5
91.03944	4.2
91.05463	47.0
91.43408	0.7
93.07030	68.3
94.07346	1.4
95.04957	12.5
95.08591	52.0
96.08920	1.5
97.02869	8.6
97.06515	12.0
97.10152	7.7
99.04430	1.3
99.08059	3.1
103.05410	1.7
105.04470	1.2
105.07017	35.8
105.07724	1.8
107.04915	5.5
107.08578	40.3
109.02854	2.0
109.06499	5.7
109.09412	1.3
109.10134	22.7
111.04369	1.0
111.08059	4.1
113.09631	1.7
115.05412	1.7
116.06173	0.8
117.07008	15.2
119.08559	28.2
121.06468	3.0
121.10120	25.1
123.04419	0.7
123.08035	3.0
123.11683	6.8
125.09595	4.9
127.03912	5.4
128.06186	1.8
129.05466	2.0
129.06978	5.4
130.07750	1.4
131.04822	1.0
131.08545	22.0
133.06451	1.2
133.10109	23.1
135.08035	3.6
135.11674	19.4
137.09587	3.3
137.13150	0.9
139.11101	1.7
141.06950	1.8
143.08513	4.9
145.04930	2.1
145.06456	1.7
145.10101	17.3
147.08031	1.3
147.11665	13.0
149.09589	7.7
149.13235	14.2
151.11140	2.5
155.08534	2.5
157.10077	5.2
159.10379	1.3
159.11668	15.6
161.09618	0.9
161.13235	5.9
163.06000	1.7
163.11142	5.9
163.14772	2.3
165.12714	1.2
167.08517	1.0
169.10106	2.7
171.11674	4.2
173.04408	3.7
173.11710	1.7
173.13234	7.3
175.11128	1.2
175.14790	2.7
177.12711	2.7
179.14223	1.7
181.10075	0.9
181.12132	1.1
183.11644	3.4
185.09650	0.8
185.13223	3.8
187.11174	1.7
187.14778	3.3
189.11200	2.4
189.16383	0.7
191.14235	0.8
195.11508	1.1
195.13771	3.9
197.13225	2.8
199.14807	1.8
201.12715	1.4
201.16350	1.6
211.14789	1.7
215.17937	1.1
227.12737	4.9
229.14322	3.1
229.19492	1.6
233.15244	1.1
235.16927	1.2
239.17917	2.3
243.21046	3.7
247.20630	2.0
253.14246	1.0
255.15813	6.3
257.18939	7.8
259.20551	1.3
261.22107	13.4
267.15717	1.7
269.17416	20.5
275.20007	28.5
275.77307	0.7
291.19684	1.6
293.21069	2.5
304.42761	0.9
309.20602	1.9
313.21686	0.8
317.24689	2.9
331.22757	2.1
333.24277	1.5
335.25754	100.0
336.26120	5.3
349.23669	25.8
350.23984	1.1
351.25418	1.5
367.24838	3.4
387.25073	0.9
405.26077	0.9
413.21509	2.0
423.32422	1.0
431.31711	1.0
437.34100	1.3
455.35532	1.1
475.34958	1.0
489.35846	4.3
493.27588	1.0
505.34750	1.6
511.37112	1.0
515.37292	21.4
516.37231	1.5
529.38831	76.8
530.39032	5.6
535.41376	0.9
545.38007	1.0
569.41980	6.6
609.45044	40.1
610.44989	3.9
627.45844	11.8
628.46722	1.3
649.38892	1.0
673.42963	2.7
771.50433	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	984.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	5.6
69.06692	1.2
69.07063	23.2
71.04975	2.4
79.05483	28.1
81.03394	6.3
81.07046	38.8
83.04976	4.3
83.08617	8.2
85.02919	4.2
85.06555	0.9
91.03925	1.4
91.05468	21.7
92.98150	1.0
93.06419	1.6
93.07031	29.1
94.07364	1.3
95.04959	9.3
95.08595	25.2
97.02877	8.0
97.06525	4.7
97.10155	9.6
105.07020	18.3
107.04932	4.9
107.08575	18.6
109.02879	0.9
109.06511	3.6
109.10132	14.3
111.04449	1.6
111.08069	2.1
115.05450	1.1
117.07003	7.8
119.04939	1.5
119.08570	13.6
121.06520	4.2
121.10136	12.9
123.08060	3.2
123.11689	2.8
125.09620	8.3
127.03885	1.5
127.07539	1.1
128.06274	0.9
129.05458	1.3
129.06996	2.5
131.08542	11.7
133.06467	2.3
133.10127	9.9
134.07272	0.9
135.08057	3.2
135.11664	7.2
137.09598	1.9
137.13248	0.9
139.53171	0.8
143.08534	2.9
145.04919	1.6
145.10094	6.1
147.08002	4.4
147.11653	4.9
149.09636	3.0
149.13213	5.9
151.11143	1.1
153.09067	0.8
155.08504	1.0
157.10117	3.4
159.11642	4.2
161.09593	1.8
161.13261	3.8
163.05988	0.9
163.11119	2.2
163.14851	2.1
165.09100	1.8
171.10236	1.8
171.11716	2.7
173.13269	2.8
175.11118	1.9
175.14810	1.1
177.12737	1.6
185.13312	0.9
187.14864	1.0
189.11211	2.6
191.14247	1.0
193.12196	1.1
195.13815	1.2
199.11235	1.1
205.12234	2.6
222.35590	0.9
223.13251	13.9
227.12775	2.9
235.16995	1.0
243.21053	3.9
245.18933	1.2
249.14778	4.4
253.14432	2.1
255.17303	1.1
261.22134	8.1
262.88181	1.0
263.20013	1.0
267.15866	1.3
273.18466	17.9
275.19995	0.9
291.19513	100.0
292.19843	2.8
309.20496	1.0
314.27728	0.9
317.24591	3.3
335.25751	70.0
336.26108	4.0
347.22235	2.9
365.23184	67.2
366.23566	3.4
372.73065	1.1
419.17288	0.9
435.23462	1.0
527.37158	1.5
545.38202	6.1
551.40991	0.9
575.53040	0.9
607.43225	3.8
625.44580	84.8
626.44855	8.5
643.45361	1.0
955.57886	1.2
984.54340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	5.1
69.07058	14.9
70.78392	1.0
71.04932	1.4
73.02878	0.4
75.47252	0.3
79.05482	24.9
80.05785	0.5
81.03420	3.6
81.07044	30.1
82.07349	0.4
83.04970	2.1
83.08610	7.2
85.02903	3.1
85.06480	1.1
91.03954	2.1
91.05463	17.0
93.07030	27.0
95.04957	6.2
95.08590	22.3
96.08881	0.5
97.02877	8.1
97.06516	3.3
97.10154	8.9
98.34672	0.3
99.04379	0.4
99.08046	0.7
101.08683	0.3
103.05415	0.7
103.43230	0.3
105.04469	0.6
105.07015	11.4
107.04940	3.4
107.08576	15.7
109.02821	0.8
109.06496	2.2
109.10140	12.5
111.04351	0.4
111.08031	1.5
115.05402	0.9
117.06999	5.2
119.04925	0.4
119.07768	0.6
119.08562	10.9
120.05709	0.5
121.06496	1.8
121.10132	11.2
123.04400	0.3
123.08028	2.4
123.11701	2.3
125.09614	6.7
127.03856	0.9
128.06152	0.6
129.05411	0.5
129.06966	2.0
130.07770	0.7
131.08543	7.9
133.06416	1.3
133.09195	0.4
133.10109	6.7
135.08054	2.0
135.11676	5.8
137.09586	2.7
137.13173	1.0
139.11142	0.8
142.07745	0.5
143.08525	2.2
145.04941	0.7
145.06383	0.7
145.10091	6.7
147.08041	3.3
147.11642	4.5
149.09558	1.3
149.13274	3.5
151.11150	0.7
153.09111	0.8
155.08514	0.3
157.10149	2.2
159.08034	0.8
159.11679	4.1
161.09624	1.6
161.13245	2.1
162.10402	0.8
163.06047	0.4
163.11116	1.2
163.14777	0.9
165.09067	1.1
167.10480	0.3
167.14314	0.4
169.12177	0.4
171.10223	0.6
171.11638	1.2
173.04402	0.5
173.11798	0.5
173.13193	2.4
175.11119	1.3
175.14767	1.4
177.07448	0.3
177.12688	1.2
177.16307	0.5
179.10732	0.4
183.11581	0.5
185.13214	1.0
187.14780	0.9
189.11220	3.1
191.14272	0.5
193.12212	0.8
195.13716	0.6
199.14641	0.5
201.16313	0.7
205.12178	1.4
211.13200	0.7
223.13255	14.6
224.13591	0.5
227.12727	3.8
227.17975	0.5
233.22610	0.5
243.21033	2.4
245.18941	0.8
249.14795	1.9
253.36624	0.4
255.17375	0.8
259.20596	0.4
261.14798	0.4
261.22107	7.5
262.22409	0.4
263.19888	0.5
267.15973	0.9
273.18436	10.6
274.18713	0.4
285.16916	0.5
291.19498	79.5
292.19885	3.3
309.20535	0.8
317.24774	2.4
335.25751	74.3
336.26160	3.3
344.34430	0.3
347.22098	2.2
365.23172	42.6
366.23428	1.7
497.31931	0.5
505.35330	0.4
527.37183	0.9
533.38934	0.6
545.38293	4.3
551.40631	0.8
557.38232	0.6
607.43445	2.9
625.44537	100.0
626.44843	9.6
643.45496	0.9
689.42487	0.9
769.48083	0.4
787.49213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	6.7
69.07056	20.9
70.19505	4.5
71.04981	1.4
79.05486	27.6
81.03414	5.8
81.07043	35.1
83.04968	4.0
83.08614	8.0
85.02888	3.2
86.57114	1.1
91.03937	1.9
91.05469	18.7
93.07032	27.0
95.04956	8.5
95.08592	25.2
97.02884	8.6
97.06528	3.3
97.10157	9.4
101.39157	1.2
105.07028	14.6
107.04949	4.8
107.08582	16.7
109.06515	3.4
109.10143	12.4
111.08052	2.5
117.07014	7.0
119.04931	1.3
119.08569	12.3
121.06474	1.5
121.10134	12.6
123.08010	2.5
123.11684	2.9
125.09628	8.4
127.03933	1.0
129.07025	2.9
131.08530	8.2
133.06461	1.4
133.10124	7.9
135.07996	2.1
135.11688	4.1
137.09595	2.4
142.07738	1.1
143.08580	2.5
145.10118	6.8
147.08037	4.4
147.11653	5.4
149.09621	2.0
149.13242	4.1
157.10107	3.2
159.07983	1.6
159.11681	3.8
161.09605	1.7
161.13280	2.3
163.11195	2.2
163.14818	1.4
165.09036	1.2
171.11737	1.5
173.11870	1.0
173.13266	2.8
175.11284	1.1
177.12753	1.3
187.11041	1.0
189.11215	3.3
193.12183	1.7
205.12265	1.6
208.14642	1.1
211.13229	1.3
223.13240	18.7
227.12714	5.7
236.76770	0.9
243.21016	3.0
245.19000	2.2
249.14789	2.1
255.17308	1.5
261.22070	8.4
263.20190	1.1
267.15845	1.6
273.18436	11.7
277.46307	1.1
291.19504	100.0
292.19855	3.2
317.24887	2.5
333.24094	1.3
335.25751	64.7
336.26001	2.1
347.22037	2.7
365.23184	58.7
366.23526	2.1
413.02451	1.2
527.37128	1.6
545.38074	5.9
551.41595	1.2
607.43427	3.2
625.44562	85.6
626.44397	5.6
837.20276	1.1
985.55731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.1
69.34680	0.9
74.95181	0.1
85.02905	0.1
91.05463	0.2
95.01328	0.2
97.02869	0.1
105.06989	0.1
106.04141	0.1
107.04927	0.4
110.03642	0.1
113.89540	0.1
115.05505	0.1
119.04939	0.2
120.43527	0.1
121.06498	0.3
123.00786	0.2
123.04343	0.1
131.04886	0.1
133.02856	0.2
133.06468	0.2
134.03615	0.3
135.04375	0.6
136.05174	0.1
137.02298	0.3
137.05971	0.2
138.06746	0.1
139.07516	0.1
145.02910	0.1
147.04391	0.7
148.05150	0.1
149.02322	0.2
149.05959	1.3
150.06689	0.2
151.03928	0.1
151.07489	0.9
153.01810	0.7
153.05470	0.3
154.06256	0.1
154.68753	0.1
161.02368	0.1
161.05975	0.3
162.03140	0.2
162.06737	0.3
163.03889	1.6
164.04672	0.2
165.01823	0.2
165.05513	0.1
165.09070	0.2
166.02655	0.2
167.06982	0.7
168.07741	0.1
173.02359	0.1
175.03896	0.3
175.07562	0.2
176.01082	0.2
176.04706	0.2
177.05455	1.9
178.06219	4.8
179.03381	1.7
179.06979	0.7
180.04100	0.2
181.05064	0.2
181.08617	0.6
185.05919	0.1
189.05443	0.2
189.09026	0.1
190.06261	0.3
191.03357	3.8
191.06998	2.9
192.07758	0.5
193.04997	0.3
193.08589	0.4
194.09334	0.2
195.06480	0.6
199.07512	0.1
201.05429	0.2
203.03349	0.2
205.04926	3.2
205.06874	0.2
205.08672	0.1
206.05693	1.2
207.02888	0.3
208.03685	0.2
213.05499	0.3
217.04961	0.1
217.08391	0.1
218.05751	0.1
219.06541	0.4
221.08015	0.8
222.05157	0.6
227.07022	0.1
229.04886	0.2
231.06564	0.3
233.08087	0.2
239.03239	0.2
241.04929	0.5
242.05598	0.1
243.06535	0.3
245.08145	0.2
246.08917	0.2
247.09686	0.2
253.04956	0.1
255.03072	0.5
255.06407	0.3
257.04666	0.2
257.08112	0.8
258.05209	0.2
259.05927	0.3
267.06421	0.1
268.03586	0.5
269.04443	0.9
270.05176	0.3
271.06064	0.1
273.07635	0.4
275.09439	0.1
281.04291	0.2
282.05002	0.1
283.02426	0.3
283.06021	0.9
284.03558	0.2
284.06787	0.6
285.04291	0.2
285.07520	2.4
286.04666	0.3
287.05408	0.5
295.06036	0.1
296.03284	0.2
296.06720	0.1
297.03906	1.1
297.07098	0.2
298.04630	0.8
299.05484	0.2
299.08932	0.1
300.02744	0.1
300.06070	0.2
301.07056	1.0
311.05563	0.6
312.06213	2.9
313.06979	4.2
314.04300	0.5
314.07541	0.2
315.04996	2.6
315.08536	0.4
316.05814	0.1
316.09222	0.4
319.06137	0.1
321.07578	0.1
322.04745	0.1
323.05624	0.1
325.07034	0.3
326.07794	0.2
327.08649	0.4
328.06012	0.2
329.06561	1.8
329.10287	0.1
330.07214	1.3
334.04617	0.1
335.05582	0.2
336.06061	0.2
337.07175	0.2
339.05093	0.2
343.08099	0.4
344.08853	7.5
345.09628	4.0
345.13931	0.2
346.04926	0.2
346.09869	0.1
347.05447	0.2
348.06180	0.2
349.07031	0.2
351.05002	0.2
353.06186	0.1
359.11288	0.2
361.07150	0.2
363.04800	0.3
363.08844	0.2
364.05777	0.1
365.06506	0.3
367.04471	0.2
369.09814	0.2
374.04050	0.1
375.04886	0.2
377.06442	0.2
379.04123	0.2
383.08038	0.1
389.06815	0.1
390.03287	0.1
391.04315	0.2
393.05865	0.2
397.09033	0.3
403.04199	0.3
405.06152	0.2
407.03534	0.2
407.08206	0.2
408.08646	0.1
409.06003	0.1
417.06476	0.2
419.03793	0.3
419.08496	0.1
420.04779	0.2
421.05099	1.0
422.06027	0.2
423.07199	0.1
433.05750	0.3
434.06522	0.2
435.07098	0.5
436.07712	0.3
437.04376	1.2
447.03033	0.9
448.03793	0.1
449.08743	0.3
450.09583	0.8
451.10883	0.8
453.09912	0.1
459.07242	0.1
462.06378	0.1
463.06161	1.4
465.07913	0.4
466.09012	0.4
467.09711	2.6
468.09900	0.2
473.08780	0.2
476.07214	0.2
477.08185	0.5
479.09750	0.1
481.09909	0.1
493.07660	0.3
494.06119	0.1
499.10220	0.1
509.08136	0.2
525.08020	0.2
535.06610	0.1
537.08185	0.2
551.09747	0.2
553.08093	0.3
563.06006	0.2
564.06537	0.1
565.07843	0.1
567.12866	0.1
577.06531	0.1
579.09222	0.2
581.06744	0.7
583.11963	0.3
585.13861	0.2
591.05328	1.4
593.07788	0.1
595.11652	0.3
597.10876	0.1
598.13782	0.2
601.13354	0.2
605.08374	0.2
607.08588	0.5
609.06042	0.6
610.06879	0.1
611.11389	0.7
613.16583	0.2
615.18127	0.3
616.15820	0.3
621.09955	1.1
622.11719	0.1
623.11627	1.0
624.09479	0.1
625.09308	0.5
626.11707	0.1
629.12585	0.3
637.13153	0.6
639.11200	5.6
640.11835	0.5
641.12561	1.3
643.14685	0.1
653.12561	0.3
654.13599	0.8
655.14209	1.0
657.12323	1.4
658.13281	0.1
659.17139	0.2
669.15930	3.1
670.16626	0.2
671.13831	0.2
672.14526	0.2
687.16913	100.0
688.17255	8.7
849.21844	0.4
865.70123	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	981.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.2
69.28520	0.2
69.28934	0.6
75.74764	0.1
76.35703	0.2
79.05485	0.2
85.02901	0.1
91.05470	0.3
95.01328	0.2
97.02863	0.2
105.06998	0.1
105.99786	0.1
107.04940	0.5
108.31367	0.1
109.06491	0.1
110.03647	0.1
119.04927	0.2
121.06493	0.3
123.00798	0.1
123.04420	0.1
125.05982	0.1
131.04929	0.1
133.02846	0.1
133.06453	0.2
134.03607	0.2
135.04375	0.6
136.05191	0.2
137.02362	0.3
137.05960	0.1
138.03081	0.1
139.03882	0.1
139.07562	0.2
142.55161	0.1
147.04370	0.8
148.05161	0.2
149.02368	0.1
149.05974	1.2
150.06708	0.2
151.03931	0.2
151.07497	1.0
153.01779	0.8
153.05449	0.3
159.04329	0.1
161.02327	0.1
161.05956	0.3
162.03139	0.2
162.06769	0.3
163.03879	1.9
163.05151	0.1
163.07567	0.1
164.04637	0.3
165.01843	0.3
165.05489	0.2
165.09103	0.3
166.02640	0.2
167.07002	0.6
168.07709	0.1
169.01273	0.1
170.02176	0.1
171.04326	0.1
173.02357	0.1
175.03859	0.5
175.07651	0.1
176.01047	0.3
176.04700	0.3
177.01846	0.1
177.05418	1.8
178.06215	4.7
179.03355	1.9
179.06963	0.7
180.04199	0.2
181.04962	0.2
181.08551	0.5
189.01796	0.1
189.05449	0.2
190.06255	0.2
191.03362	4.3
191.06984	3.3
191.08717	0.2
192.04066	0.1
192.07777	0.5
193.01305	0.1
193.04973	0.3
193.08530	0.4
194.09386	0.3
195.06476	0.7
199.03969	0.1
200.04585	0.1
201.05417	0.1
203.03413	0.2
203.07007	0.2
204.04077	0.1
204.07848	0.1
205.04922	3.6
206.05672	1.3
207.02959	0.3
207.06511	0.1
208.03654	0.3
213.05450	0.3
215.07037	0.2
217.04985	0.2
218.05762	0.2
219.06479	0.4
221.08058	1.1
222.05193	0.7
227.03427	0.2
227.07018	0.2
229.04990	0.2
229.08553	0.1
231.06416	0.4
233.08000	0.1
241.04874	0.5
242.05673	0.1
243.02695	0.1
243.06570	0.2
245.08092	0.2
246.08804	0.1
247.09697	0.2
253.05028	0.2
255.02838	0.4
255.06570	0.3
256.07309	0.2
257.04568	0.2
257.08154	0.8
258.05069	0.1
259.06052	0.2
267.06479	0.2
268.03665	0.4
269.04401	0.9
270.05264	0.3
271.02304	0.1
273.07599	0.5
281.04422	0.2
281.08011	0.1
282.05270	0.1
283.02411	0.3
283.06021	0.7
284.06708	0.7
285.04102	0.3
285.07489	2.5
286.04697	0.2
287.05438	0.4
293.04614	0.1
296.03149	0.2
297.03909	1.0
297.07147	0.1
298.04718	0.5
299.05444	0.3
299.08939	0.1
300.02872	0.1
300.06378	0.3
301.06998	0.7
307.05960	0.1
311.02136	0.1
311.05515	0.7
311.08908	0.1
312.06223	2.9
313.06982	4.1
314.04211	0.4
314.07614	0.2
315.04953	2.9
315.08582	0.3
316.05737	0.1
316.09412	0.5
319.05923	0.2
325.07135	0.3
326.07913	0.2
327.08685	0.3
328.05640	0.2
329.06479	1.9
329.10196	0.1
330.07269	1.5
333.04117	0.1
335.01849	0.1
335.05594	0.2
336.06351	0.1
337.07007	0.2
339.04980	0.2
339.08853	0.1
343.08130	0.4
344.08835	8.7
345.09619	5.2
346.04428	0.1
346.10101	0.1
347.05399	0.2
349.07004	0.1
351.04904	0.2
351.08694	0.1
358.10114	0.1
359.05719	0.1
360.06219	0.1
361.03174	0.2
362.07999	0.1
363.04910	0.2
363.08798	0.2
364.05963	0.1
365.06528	0.3
367.04285	0.1
375.05014	0.2
377.06625	0.2
378.07721	0.1
379.03992	0.1
379.08389	0.2
383.07712	0.1
389.06674	0.2
391.04462	0.3
393.06363	0.2
397.09280	0.2
402.70648	0.1
403.04459	0.2
404.05594	0.1
405.06247	0.2
406.06610	0.1
407.03699	0.2
407.07983	0.2
408.08417	0.2
415.04309	0.2
417.05972	0.2
418.06943	0.2
419.03922	0.3
420.04816	0.3
421.05124	1.1
422.06335	0.2
423.06851	0.2
431.03012	0.1
431.08084	0.1
433.05798	0.4
434.06549	0.2
435.06757	0.5
436.08194	0.4
437.04340	1.2
437.10056	0.1
444.39435	0.1
446.02362	0.1
447.03009	0.8
449.08810	0.2
450.09750	0.9
451.10861	0.9
452.07495	0.2
457.05875	0.1
461.05383	0.3
462.06308	0.1
463.06244	1.8
465.08118	0.3
466.09137	0.6
467.09677	2.9
468.10175	0.3
473.08990	0.1
476.07492	0.3
477.08090	1.0
481.08948	0.1
491.07822	0.1
493.07880	0.3
505.11514	0.1
507.07373	0.1
509.09073	0.2
519.06738	0.1
521.08984	0.1
523.09930	0.1
524.10626	0.1
525.08246	0.2
535.06439	0.2
536.07520	0.1
539.11517	0.1
549.05463	0.1
551.09869	0.2
553.06781	0.4
555.13190	0.1
563.05688	0.4
565.08600	0.1
567.12665	0.3
569.11017	0.2
579.09540	0.3
580.09796	0.1
581.06787	0.7
582.14893	0.1
583.12317	0.4
584.12793	0.1
585.13831	0.4
591.05353	1.3
593.10345	0.1
594.10938	0.1
595.10767	0.2
597.12122	0.1
599.15015	0.2
601.13611	0.2
605.09222	0.1
606.07837	0.2
607.08435	0.6
609.05530	0.5
611.11945	0.8
612.12958	0.1
613.15710	0.2
615.18427	0.2
616.15344	0.4
621.10205	1.3
623.11859	1.1
624.10010	0.1
625.09369	0.7
626.13226	0.2
627.14740	0.2
629.12823	0.3
631.18036	0.1
635.81531	0.1
636.12946	0.1
637.13190	0.7
639.11176	6.0
640.11218	0.5
641.12781	1.8
642.13617	0.2
651.14203	0.1
653.13202	0.3
654.13739	1.1
655.14301	1.5
656.13959	0.1
657.12231	1.9
658.12231	0.2
659.17310	0.3
669.15845	2.9
670.16376	0.1
671.14307	0.2
672.14319	0.1
687.16882	100.0
688.17249	6.7
849.22192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.264
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99741	0.4
69.03383	0.5
70.06533	0.3
79.05445	0.2
81.03366	0.2
85.02849	0.3
91.05445	0.4
93.06991	0.2
93.27613	0.2
95.01286	0.4
97.02831	0.3
98.20678	0.5
99.80111	0.2
105.07018	0.3
107.04929	0.9
119.04885	0.3
119.08514	0.3
121.06459	0.5
123.00718	0.4
123.04369	0.3
124.21716	0.2
125.72272	0.2
133.06444	0.3
134.03543	0.2
135.04352	0.5
137.02293	0.3
137.05925	0.5
139.03799	0.3
145.02797	0.2
145.06439	0.2
147.04352	0.6
149.05925	0.5
149.64407	0.2
151.03836	0.3
151.07463	0.3
151.50418	0.2
153.00650	0.3
153.01804	3.1
153.02994	0.1
154.06149	0.3
161.02376	0.2
161.05910	0.6
162.06636	0.5
163.03886	2.7
164.04721	0.4
165.05478	0.2
167.06973	0.8
169.01218	0.4
170.02051	0.2
173.05875	0.2
175.03839	0.3
175.07414	0.3
176.04611	0.4
177.04103	0.3
177.05446	2.1
178.06224	11.7
179.03310	0.8
179.06795	0.6
180.04097	0.2
181.04881	0.4
182.52245	0.2
185.05893	0.5
187.03859	0.2
191.03371	0.8
191.07010	3.8
192.07770	1.3
193.08554	0.7
199.03809	0.2
199.07530	0.2
200.96562	0.2
201.05431	0.3
203.03307	0.3
203.06956	0.3
205.04910	0.7
206.05724	0.5
207.06508	0.3
213.05426	1.2
214.06131	0.2
215.03337	0.4
215.06960	0.3
216.04062	0.3
217.04933	0.3
217.08473	0.3
219.06436	0.5
221.08154	0.3
223.03804	0.2
225.05513	0.4
227.03273	0.2
227.06900	0.4
228.07759	0.2
229.05063	0.9
230.05670	0.3
231.02916	0.2
231.06404	0.8
233.08089	0.3
239.03329	0.4
240.04056	0.4
241.04912	1.8
241.08633	0.3
242.05585	0.5
243.02658	0.2
243.06479	0.7
244.03616	0.4
244.07240	0.2
245.04369	0.4
245.07971	0.4
246.08949	0.3
253.05038	0.3
255.02817	1.8
255.06453	0.8
256.03632	0.2
256.07269	0.4
257.04434	0.7
257.08020	2.3
258.05215	0.6
259.05972	0.7
260.06775	0.2
265.04901	0.3
267.06552	0.2
268.03589	1.2
269.04437	2.9
269.07495	0.3
270.05215	0.6
271.02307	0.7
271.05923	0.5
272.06683	0.4
273.03860	0.2
273.07465	0.9
274.04678	0.2
281.04391	0.5
282.05060	0.4
283.02338	0.7
283.05942	2.8
284.03256	0.4
284.06708	2.6
285.03934	1.1
285.07483	6.1
286.04822	0.9
286.07672	0.3
287.02335	0.3
287.05460	2.1
287.08905	0.3
293.04153	0.2
295.05960	0.4
296.03284	0.3
296.06613	0.2
297.03970	2.9
297.07520	0.5
298.01392	0.3
298.04611	1.7
298.07822	0.3
299.02078	0.3
299.05441	1.6
299.08643	0.3
300.02600	0.6
300.06180	0.6
300.09622	0.2
301.03616	0.3
301.06989	3.4
302.07553	0.2
311.05435	1.4
312.06226	8.9
313.03409	1.4
313.06949	11.7
314.04117	2.0
314.07581	0.9
315.04993	11.1
315.08508	1.8
316.05450	0.5
316.09290	0.7
317.06506	0.2
325.06976	0.3
326.07675	0.8
327.08545	1.0
328.05981	1.0
328.09439	0.4
329.06525	8.3
329.09875	0.4
330.07254	6.1
331.07974	1.5
340.06171	0.2
343.08136	2.1
344.08850	27.2
345.09613	16.5
346.09879	0.7
358.10416	0.3
359.07657	0.5
436.07986	0.3
451.09940	0.3
481.07864	0.2
537.14203	0.2
586.42194	0.2
623.11707	0.4
625.11047	0.2
627.07733	0.3
629.12677	0.5
639.10956	0.7
641.12714	0.7
642.10028	0.3
655.14014	0.5
657.12354	5.5
658.12445	0.4
671.13519	0.3
672.14636	0.5
687.16937	100.0
688.17346	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	981.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.6
69.49866	1.7
71.04984	5.6
71.05343	0.3
71.16205	0.2
73.02864	0.4
79.05419	0.2
81.03368	0.3
83.04974	1.4
85.02891	7.9
86.06062	0.2
87.04453	1.3
91.05392	0.2
95.04892	0.6
97.02876	3.3
98.21445	0.2
99.04401	0.4
101.02309	0.3
107.04937	0.4
109.02821	0.2
111.04419	1.4
115.03234	0.2
115.03903	2.2
117.05424	0.2
119.04874	0.4
121.02848	22.9
121.03767	0.8
122.03121	0.3
123.04451	1.0
127.03857	0.4
129.05458	1.8
131.04942	0.2
133.02808	0.2
133.04935	1.3
139.03781	0.2
145.02742	0.4
145.04924	0.4
147.04401	2.0
147.06458	0.3
151.07478	0.2
153.01752	0.2
161.05882	0.6
163.03812	0.4
171.06424	0.3
175.03802	0.5
177.05383	0.3
189.05356	0.8
191.03299	0.6
197.05992	0.2
199.03900	0.2
200.04507	0.2
213.05394	0.7
215.03358	0.4
216.04126	0.3
217.04694	0.2
225.07497	0.3
227.03316	0.3
228.04291	0.2
229.04977	1.0
230.05544	0.5
231.06384	0.4
237.05461	0.4
239.03348	0.3
241.04897	0.7
243.02733	0.3
243.08459	0.4
253.05019	0.2
255.02820	0.4
255.06482	0.3
257.04385	2.8
258.05054	0.7
259.05652	0.3
259.59079	0.2
261.09549	0.6
269.04297	0.9
270.05078	0.3
271.02371	1.1
273.03937	0.4
275.05859	0.2
277.08398	0.2
281.04367	0.6
282.05234	0.2
283.02435	0.3
283.05838	0.4
285.03885	0.9
286.04730	1.8
287.05405	6.1
288.05820	0.2
289.08517	0.3
293.04480	0.2
293.07947	0.3
297.03857	0.4
305.08102	0.4
309.03839	0.6
309.07401	0.2
310.04443	0.4
311.05518	0.3
313.03241	0.3
315.06323	0.3
316.07156	0.3
317.07672	0.6
319.05771	0.3
321.03897	0.3
321.07590	0.5
321.40210	0.2
323.05536	0.6
325.03464	0.9
333.07489	0.8
335.09122	0.7
343.06076	0.4
344.06830	0.3
345.07571	1.0
347.05493	0.3
348.06616	0.3
349.06989	0.6
351.08566	0.4
357.07678	0.4
359.09161	0.4
361.07047	2.1
363.08502	0.8
365.06723	0.2
371.05441	0.6
373.06866	0.7
375.08621	0.4
377.06192	0.9
379.08289	0.3
385.06992	0.6
387.08768	0.7
389.06531	2.8
390.07300	1.5
391.08081	4.7
393.05811	0.9
394.06458	0.9
395.11258	1.7
403.07977	0.8
405.05872	7.2
406.06180	0.4
407.07529	4.2
408.08511	0.3
413.06488	0.5
415.08102	1.0
417.05908	1.9
418.06622	0.3
419.07648	1.0
421.09232	0.6
431.03363	0.2
431.07733	2.1
433.09174	1.1
435.07224	1.2
437.08658	2.1
441.05917	0.9
442.06979	0.3
443.07565	2.0
445.04745	0.3
449.08527	1.2
451.10178	26.1
452.10565	1.0
459.07040	8.2
460.07651	0.5
461.08438	1.7
463.06430	2.0
469.05896	0.3
475.10104	0.6
477.08133	3.9
479.09738	0.9
481.07480	1.7
487.06558	3.6
495.09128	0.8
505.07632	5.1
506.07971	0.3
523.08685	1.9
541.09692	100.0
542.10059	4.3
565.09631	1.0
583.10614	0.5
607.11029	0.6
619.10657	0.4
627.15460	0.2
637.11963	0.3
649.12653	0.2
673.13074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	65.8
67.39936	0.8
69.03405	1.5
69.07058	11.2
70.05061	2.8
70.05463	2.4
70.21785	0.9
71.04975	2.5
78.32468	0.8
79.05482	45.4
81.03410	3.2
81.07042	48.6
83.04955	3.3
83.08609	5.8
85.02869	1.5
85.06527	11.8
91.05463	32.7
93.07030	44.3
95.04953	65.7
95.08587	37.1
97.06519	6.6
97.10142	1.7
105.06326	2.0
105.07012	27.3
107.04924	11.5
107.08578	24.8
109.06499	56.7
109.10125	10.3
111.08073	3.1
113.05991	28.0
113.06652	0.8
113.15055	0.8
115.05521	1.0
117.07009	14.1
119.04965	1.0
119.08567	12.5
121.06502	5.7
121.10134	12.5
123.08064	3.4
123.11702	1.3
125.09622	1.2
128.06239	1.6
129.06985	6.6
130.07774	1.3
131.08548	21.2
133.06476	2.7
133.10103	12.7
135.08031	49.0
135.11688	10.6
137.05968	1.8
137.09518	1.5
137.13268	1.3
141.06912	1.5
142.07750	2.0
143.08542	10.4
145.06493	2.0
145.10092	12.2
147.08044	5.1
147.11647	4.9
149.09596	6.8
149.13229	3.4
151.11186	1.2
153.12715	1.0
155.08514	1.5
157.10098	5.9
159.08090	1.0
159.11646	7.2
161.09586	8.5
161.13217	2.9
163.11183	3.0
165.09030	1.0
169.10085	1.3
171.11641	3.9
173.09761	1.1
173.13269	4.6
175.11172	3.4
175.14714	0.9
177.12730	2.9
179.14139	1.0
183.11647	2.1
185.13188	1.4
187.11194	1.9
187.14795	2.3
189.16460	1.6
195.11736	2.3
199.11105	1.5
199.14818	3.9
201.12747	1.5
201.33850	1.0
217.15868	12.1
227.17899	1.9
237.16487	1.6
245.18980	2.6
255.17468	3.0
261.22168	1.3
273.18433	34.8
275.20178	1.9
279.15775	1.2
291.19492	93.9
292.19839	1.4
309.20590	2.3
317.24564	1.0
333.24228	1.3
335.25742	89.9
336.26065	2.8
347.22043	9.6
349.23856	1.0
354.04785	1.0
365.23157	19.3
396.24173	0.9
404.19778	1.0
449.47931	1.1
567.40204	3.7
607.43506	21.7
608.43793	1.1
625.44543	100.0
626.44916	5.0
650.62109	1.3
967.47870	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	967.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	55.3
69.03413	8.7
69.07054	9.0
71.59116	4.8
79.05482	37.0
81.03387	3.4
81.07040	32.8
83.04971	3.4
83.08598	3.0
85.06541	7.5
91.05468	27.5
93.07030	29.4
95.04951	52.0
95.08599	26.0
97.06516	6.5
105.07002	15.5
107.04952	6.6
107.08570	20.4
109.06501	51.3
109.10128	7.8
112.07586	10.3
113.05986	25.2
117.06992	13.0
119.08550	10.8
121.06466	6.0
121.10101	14.2
123.08060	5.0
129.06978	7.9
131.08507	18.6
133.10110	6.1
135.08029	38.7
135.11664	10.1
137.09592	3.3
140.07014	13.4
143.08531	4.6
145.10095	12.0
146.18108	2.5
147.08037	5.0
147.11676	4.0
149.09566	5.4
149.13196	3.8
149.34718	2.8
157.10110	5.7
159.11670	6.2
161.09584	6.6
163.11145	3.2
169.10118	3.9
171.11697	3.0
173.13255	4.4
189.24989	2.8
199.14751	2.9
217.15825	7.4
233.15356	4.1
273.18484	33.3
287.20016	2.7
291.19492	100.0
292.19913	3.0
335.25714	40.3
347.22339	6.8
365.23151	21.7
480.65863	2.7
567.40381	3.8
607.43469	17.3
625.44568	81.6
626.44379	3.5
643.46021	4.7
967.46173	12.7
968.45105	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	970.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	22.2
79.05483	81.1
79.16480	3.8
81.07043	100.0
83.04945	6.7
83.08581	11.0
85.02892	13.5
91.03934	10.6
91.05470	78.6
93.07027	93.4
95.04957	12.0
95.08601	71.4
97.02856	9.8
98.21500	8.0
103.05386	4.7
105.04456	4.6
105.07018	74.7
107.08578	42.9
109.10147	31.0
117.07008	25.0
119.08559	52.3
121.10122	36.0
123.11688	9.9
129.06998	12.6
131.08565	36.2
131.09407	6.2
133.10109	43.0
135.11679	26.8
137.13243	4.5
143.08522	13.0
145.10100	30.4
147.11642	31.9
148.75543	3.9
149.13260	18.9
157.10089	13.0
159.11705	27.0
161.13229	25.0
163.06023	7.3
171.11691	15.3
173.13251	19.3
175.14861	11.9
185.13269	11.7
199.14786	5.9
229.50227	4.7
239.17857	5.1
241.19464	19.7
243.21181	5.8
257.18939	7.0
259.20581	49.1
261.22141	12.3
278.20813	4.4
279.17560	4.8
315.23096	4.7
333.24207	46.7
335.25754	83.7
391.43860	4.3
593.45129	10.4
611.46619	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	964.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	38.1
69.03421	5.0
69.07059	21.2
71.04974	3.6
71.08242	1.9
71.08620	22.9
71.34663	1.9
73.02892	1.9
79.05486	27.7
81.03407	8.0
81.07048	53.4
83.04975	6.5
83.08611	16.3
85.02902	9.4
85.06541	2.1
85.10173	12.9
91.03944	3.4
91.05463	22.8
93.07035	31.6
95.04969	5.4
95.08006	2.0
95.08595	33.8
97.02883	7.4
97.06516	8.7
97.10152	6.2
99.04464	2.2
99.08057	2.8
103.07584	1.3
105.07018	18.5
107.04946	4.4
107.08587	17.4
109.02869	2.0
109.06509	3.9
109.10134	15.5
109.25172	1.1
111.04422	1.0
111.08051	4.5
111.11671	1.4
117.07002	9.9
119.08562	14.6
121.06496	2.9
121.10139	12.4
123.08044	3.1
123.11707	6.9
125.09595	2.4
127.03913	3.7
128.06184	1.2
129.06987	4.3
129.63841	1.1
131.08546	11.5
133.10110	12.6
135.08005	2.9
135.11679	9.2
137.09586	2.1
137.13232	1.6
139.07378	1.1
141.06999	1.0
143.08549	3.6
145.04933	1.8
145.10123	9.6
147.11697	8.4
149.09619	7.7
149.13255	9.3
155.08487	1.2
157.10077	3.1
159.11655	9.5
161.13258	2.9
163.11140	5.0
169.10112	2.0
171.11606	2.4
173.04453	2.9
173.13292	3.3
175.11316	1.6
177.12738	2.6
179.14232	1.2
183.11545	1.2
185.13251	1.8
189.11151	1.5
195.13759	4.7
197.13165	1.3
213.14818	1.6
214.84235	1.1
217.15884	3.0
227.12738	3.6
229.14258	2.5
229.19489	2.4
235.08440	1.1
239.17957	3.9
239.23682	3.7
247.20561	2.2
251.16376	1.5
253.14400	1.2
255.15865	14.1
257.18954	8.0
257.24805	1.4
261.14914	1.2
264.70511	1.2
267.15948	2.6
269.17447	36.2
270.00735	1.1
275.20026	24.2
291.19568	2.5
293.17697	2.2
293.21097	4.6
309.20374	1.9
313.27322	100.0
314.27634	4.8
321.24173	1.2
331.22565	3.9
335.18842	1.0
339.17844	1.6
349.23734	33.4
350.24048	1.5
367.24554	5.1
413.21689	4.5
419.24561	1.2
467.37021	2.6
491.40710	1.2
493.38864	22.4
494.39011	1.8
507.40427	99.0
508.40546	7.0
547.43579	8.2
548.44031	1.6
587.46625	41.4
588.46558	2.3
605.47809	11.6
606.48114	1.4
651.44568	2.7
749.51294	2.1
751.19122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.3
69.07061	16.4
70.68045	0.8
71.04984	0.5
71.08620	4.0
73.02926	0.3
78.52812	0.3
79.05486	3.1
81.03397	0.4
81.07045	4.4
83.04964	0.4
83.08609	16.3
85.06509	0.3
85.10178	1.9
91.05474	1.0
93.07041	3.3
95.04967	0.3
95.08593	3.9
97.02870	0.3
97.06512	1.7
97.10158	12.6
98.98457	7.1
105.07001	0.8
107.08582	2.1
109.10139	0.9
111.08063	0.8
111.11707	3.3
117.07027	0.4
119.08571	0.7
121.10122	2.5
123.11705	0.6
123.39420	0.3
125.09623	0.8
125.13246	0.7
131.08553	0.6
135.11703	1.9
137.13252	0.4
139.11131	0.5
143.08601	0.3
145.10167	0.3
147.11650	0.4
149.13223	1.0
153.12770	0.5
155.01025	3.3
163.14819	0.5
169.24478	0.3
173.02133	0.6
184.07422	0.3
189.11205	0.3
219.21094	0.7
237.22159	1.1
247.05664	0.6
287.05441	0.5
291.19452	0.4
309.36853	0.2
311.25760	100.0
312.26114	2.0
335.25784	0.5
336.26001	0.3
356.05820	0.3
365.23169	0.4
447.24979	5.1
543.36743	0.4
572.04523	0.3
623.42786	0.7
933.55548	0.3
937.67114	0.4
964.81207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	50.4
68.05850	0.8
69.03420	5.0
69.07056	11.1
69.48227	8.3
71.04984	3.5
73.02914	3.5
79.05022	2.1
79.05481	38.5
80.05815	1.2
81.03415	8.7
81.07044	41.4
83.04973	5.1
83.08604	7.8
85.02895	12.8
85.06527	9.4
91.03958	5.7
91.05466	43.1
93.07029	39.5
95.01308	1.4
95.04956	39.5
95.08590	31.5
97.02885	8.7
97.06523	7.1
97.10149	2.7
99.08064	1.6
103.05421	2.1
105.04485	1.3
105.07015	40.6
107.04941	12.9
107.08578	24.6
109.02872	1.7
109.06505	38.8
109.10144	8.9
111.08082	2.1
113.05993	26.4
115.05458	3.7
116.06227	1.5
117.07001	22.5
119.08555	28.4
121.06479	5.9
121.10122	11.7
123.04386	1.7
123.08072	6.1
123.11716	1.8
125.09589	1.2
127.03924	3.4
128.06216	3.4
129.05508	1.5
129.06990	14.9
130.07764	2.4
131.04938	0.9
131.07549	1.5
131.08542	29.3
133.06483	2.7
133.10110	24.0
133.92400	0.8
135.08032	31.0
135.11674	11.4
136.98679	0.8
137.05933	1.0
137.09639	2.3
141.06966	5.2
141.09021	0.9
142.07713	2.2
143.08559	16.3
144.09314	1.1
145.04970	0.9
145.06458	5.2
145.10104	20.3
147.08022	5.7
147.11656	12.8
149.06052	0.8
149.09602	4.8
149.13248	6.2
151.11166	1.7
155.08527	5.5
156.09322	1.3
157.10121	11.3
159.08041	4.4
159.10359	1.3
159.11681	19.1
161.09624	8.4
161.13239	8.8
163.11142	3.7
167.08578	2.7
169.10085	7.1
171.11673	10.1
173.09560	1.1
173.13248	8.4
175.11185	2.7
175.14780	4.7
177.12709	4.9
179.08464	0.9
181.10075	4.2
183.11705	5.6
184.07356	1.1
185.09581	1.7
185.13219	6.9
187.11150	5.9
187.14853	3.5
189.12718	2.3
189.16348	2.0
191.14232	1.0
193.10127	1.4
195.11690	4.1
195.13794	2.2
197.13298	3.0
199.11182	2.0
199.14766	5.1
200.13274	1.2
201.12799	1.7
201.16348	1.7
203.14250	1.2
205.12184	1.7
207.11765	1.4
209.13239	2.3
211.14737	2.4
213.12817	1.6
213.16310	3.2
215.14395	1.4
215.18024	1.2
217.15839	7.9
217.19339	1.0
221.13321	1.7
223.14894	1.4
225.16368	1.7
227.17915	1.1
229.19566	1.5
231.20963	1.0
233.13362	0.9
237.16425	2.0
239.17938	1.4
241.14287	3.1
241.19540	5.7
245.18837	1.6
255.17459	1.8
257.19000	4.0
259.20517	9.3
261.16327	1.2
273.18451	15.9
273.21417	1.0
275.20035	3.3
277.21774	1.5
279.15915	19.6
281.17401	1.2
285.22134	1.5
291.19489	45.2
297.16797	1.5
315.23111	5.6
325.25165	2.1
327.26712	5.4
329.24783	1.2
333.24222	23.5
347.22205	4.9
349.23831	1.7
365.23199	14.1
399.27985	1.1
431.28436	1.0
509.36264	1.1
513.36523	3.5
531.38263	3.9
543.36719	4.0
549.39484	3.1
551.37408	2.1
555.37018	1.5
565.38843	3.5
567.40167	2.0
583.39612	1.2
605.32861	1.1
605.42090	15.7
623.42957	100.0
624.43079	8.1
641.44043	55.4
642.44220	3.8
785.47729	3.0
803.48926	3.1
965.34949	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	963.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.6
69.07087	0.8
70.64583	0.7
70.64912	1.7
79.05486	2.5
81.03440	0.9
81.07061	1.5
88.45644	0.6
91.05479	1.8
93.07052	1.9
94.06592	1.5
95.08610	1.8
103.05499	0.6
105.07056	1.5
107.08577	1.0
109.10143	1.0
119.08591	1.2
121.10114	0.8
128.06287	0.8
131.08611	0.9
148.11951	0.8
161.06047	0.6
163.04037	0.6
181.08876	0.6
191.03474	0.8
195.09236	1.1
196.10002	1.2
197.10686	1.0
207.09119	1.1
208.10034	1.0
209.10797	2.5
211.12413	1.0
220.10010	0.8
221.10696	1.1
222.11638	1.4
223.08775	1.5
223.12372	2.0
225.10207	1.2
233.10881	1.3
234.11545	1.9
235.08759	2.2
235.12398	2.6
236.09425	0.8
237.10236	3.5
238.11157	1.0
239.11839	1.9
249.10222	4.8
250.11166	1.5
251.08234	0.8
251.11922	2.8
252.12526	1.4
256.14468	0.7
263.08237	0.6
263.11868	2.3
265.09738	1.1
277.09766	2.5
297.03970	1.2
297.07529	0.7
299.05441	1.2
311.05688	0.7
325.03439	1.3
327.05164	1.8
329.10297	1.2
335.25684	3.4
336.26212	1.5
337.11902	1.1
340.06018	1.4
355.08005	4.8
357.09598	4.8
400.17169	0.9
415.15463	0.9
416.16452	1.8
417.16727	1.4
417.21289	1.8
428.16696	1.2
429.17450	1.9
430.17694	1.6
431.18839	1.9
442.18283	1.4
443.18698	2.0
445.20789	4.0
446.22150	0.6
455.15057	0.9
457.15921	3.2
458.17224	1.7
459.17447	1.2
470.17612	1.8
471.18417	2.7
472.19165	2.3
473.19894	4.5
474.20673	2.5
485.20474	1.1
487.20862	2.3
497.20029	0.9
501.18079	1.1
503.20871	1.3
505.20950	1.0
513.19519	0.9
515.20923	1.4
517.21002	0.7
531.21069	1.0
533.21814	11.7
534.22302	1.1
545.21790	2.0
547.23541	1.5
559.14923	1.8
559.23364	0.9
560.24304	1.2
575.22839	1.0
588.23688	1.0
595.19086	0.7
607.25500	1.9
619.25885	1.5
620.26093	1.4
801.25110	0.8
808.25104	0.9
823.25464	0.8
831.29938	2.7
871.29797	1.8
876.29449	3.0
881.28015	1.2
883.24963	0.9
899.29053	6.9
900.29565	1.7
903.32178	22.3
904.32617	2.5
913.30536	10.2
931.31732	49.8
932.31781	4.9
935.35370	1.0
945.33325	13.4
946.34729	1.5
963.34351	100.0
964.34705	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	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	49.2
69.03419	1.7
69.07055	11.9
69.97340	5.4
71.04971	2.1
71.08626	1.1
73.02898	2.2
76.95457	0.8
79.05484	28.4
79.56824	0.8
81.03401	0.8
81.07045	54.0
82.07368	0.9
83.04958	1.2
83.08601	7.1
83.38704	1.1
85.02892	14.8
85.06513	0.9
91.03946	10.4
91.05466	21.0
93.07031	36.6
94.07331	0.8
95.04956	3.5
95.08592	41.2
97.02873	8.6
97.06491	2.7
97.10147	3.2
98.20741	1.1
99.08053	1.6
105.04466	1.2
105.07015	18.2
107.08581	21.1
109.06488	1.1
109.10143	17.9
111.08081	2.2
111.11723	1.1
117.07000	6.1
119.08575	15.5
121.10132	19.2
123.08057	1.1
123.11685	8.1
125.09657	1.3
127.03921	4.3
129.07011	1.3
131.08557	12.0
133.10103	12.3
135.11678	16.3
137.09662	1.1
137.13239	2.1
143.08572	1.0
145.04913	7.3
145.10097	8.2
147.11664	11.1
149.13239	9.9
151.11116	0.9
151.14789	1.2
157.10133	1.8
159.11697	8.2
161.13252	9.3
163.06001	7.0
163.11108	0.9
163.14803	5.1
165.12764	0.9
171.11670	2.5
173.13229	6.6
175.14787	3.7
177.16418	1.3
185.13275	2.6
187.14813	5.0
189.16428	1.5
199.14796	2.0
201.16376	1.9
203.18028	0.9
215.17880	1.0
231.21135	1.2
233.22598	0.9
241.19531	5.8
243.21060	5.9
259.20535	9.4
261.22122	20.1
262.22537	1.1
263.23608	1.6
277.21750	1.0
288.96848	0.9
303.23148	1.2
313.25220	0.8
315.23041	1.0
317.24713	3.4
333.24124	8.2
335.25763	100.0
336.26172	5.7
337.27353	10.9
521.43176	2.9
543.39685	0.9
595.47144	14.5
596.47723	1.0
613.48212	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.7
69.03431	1.2
69.07039	0.3
69.85136	1.0
69.85553	0.5
79.05472	0.6
79.18044	0.2
81.03407	0.5
81.07056	0.4
83.04992	0.3
85.02884	0.3
89.03899	1.9
91.05464	9.1
93.03394	5.2
93.07015	0.4
94.04223	0.2
95.04971	1.2
97.02876	73.7
97.06534	0.4
98.03224	0.7
103.05449	0.3
105.07030	0.2
107.04932	1.2
109.06464	0.2
111.04428	0.7
115.05446	1.1
116.06254	0.2
117.03347	5.0
117.07011	0.4
118.40743	0.2
119.04923	21.7
121.02859	3.4
123.04422	0.5
125.02286	0.6
125.06043	0.2
127.03899	0.3
128.06213	1.8
129.06998	1.2
131.04886	1.5
131.08553	5.0
133.06381	0.4
133.10112	0.3
133.16406	0.2
134.03601	0.5
135.04404	0.5
135.56912	0.2
136.37172	0.2
137.05969	0.4
139.03862	0.8
141.06972	4.7
142.28453	0.2
143.08527	0.9
144.05688	3.5
145.02826	13.7
145.06403	0.6
147.04384	100.0
148.04692	1.4
149.02313	4.8
149.03427	0.4
149.05956	2.1
151.03889	0.2
152.06143	0.5
153.06996	1.4
157.06456	3.5
158.06104	0.3
158.07251	1.6
159.08032	25.3
160.08319	0.5
163.03844	0.3
167.03377	23.4
168.05684	0.3
169.06445	9.6
169.07573	0.7
171.08049	3.0
173.06007	0.4
177.05440	33.3
178.06175	1.1
179.07004	0.6
181.06319	0.4
184.05220	0.4
185.05945	2.6
186.05482	0.8
187.07520	11.7
189.05499	0.3
189.09085	0.3
195.02727	0.3
195.06499	0.5
197.05946	9.4
199.07536	0.7
213.05464	0.3
215.06995	20.0
216.07401	0.6
217.08559	0.7
225.05437	0.9
227.07118	0.5
233.08086	0.6
243.06500	5.7
244.06972	0.3
245.08096	0.5
255.02840	0.8
257.04630	0.2
261.07541	53.7
262.07935	1.3
269.04413	0.5
273.07538	0.4
279.08597	6.7
287.05399	0.9
290.18680	0.4
291.08649	0.8
297.03864	0.5
300.02960	0.3
304.25269	0.2
309.09671	0.3
315.05011	4.8
315.08554	0.6
321.09677	0.8
329.06689	0.3
330.07208	1.7
331.07883	0.7
339.10693	1.4
345.09628	12.6
346.10223	0.6
373.08957	0.3
413.12192	0.4
455.13150	0.8
466.08664	0.8
649.26178	1.1
667.27405	7.4
673.47253	0.2
917.85889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04854	3.6
67.05170	5.8
67.05499	13.8
69.03416	6.8
69.07061	15.2
69.54212	7.7
69.54638	12.0
71.08635	15.0
79.05470	14.1
81.03411	4.3
81.07043	13.6
82.30676	2.5
83.04950	2.1
83.08607	9.9
85.02880	3.8
85.06488	2.2
85.10169	8.2
91.03956	2.2
91.05456	8.9
93.07046	7.5
95.04935	3.4
95.08569	11.3
97.02900	4.4
97.10154	10.1
101.08904	2.3
105.07018	8.2
107.04929	3.3
107.08615	6.6
109.10149	9.1
117.07023	5.2
119.08562	4.8
121.10144	2.8
125.09606	7.3
131.08592	3.0
143.08586	2.7
145.10071	5.8
153.58571	2.5
157.09998	2.9
223.13205	15.6
227.12703	4.8
273.18475	11.6
291.19504	73.7
291.22809	3.9
304.27286	2.7
310.39496	3.0
313.27325	73.2
314.27521	3.3
354.16492	2.8
365.23184	68.4
365.27740	3.5
366.23633	3.1
523.39581	5.7
603.46112	100.0
604.46082	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	953.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01814	0.1
67.05494	0.2
68.99792	0.4
69.03425	0.3
69.83445	1.0
70.06583	0.1
71.04987	0.8
79.05508	0.2
81.03432	0.3
85.02906	0.7
87.40993	0.2
95.04987	0.2
97.02914	0.4
107.04932	0.4
111.00822	0.2
113.02899	0.2
119.04976	0.2
121.02868	0.2
124.99642	0.1
127.03887	0.3
135.04422	0.4
137.02312	1.3
137.05960	0.2
139.03894	0.2
139.07504	0.3
145.02797	0.2
147.04449	0.4
149.02383	0.2
149.05940	0.7
151.03941	0.3
151.07530	0.5
153.01801	8.3
154.02153	0.2
161.05983	0.2
163.03880	0.8
164.04611	0.2
165.01805	0.2
167.03342	0.2
167.07025	1.2
171.02879	0.3
175.03989	0.2
177.05455	1.6
178.06241	1.3
179.07069	0.6
181.04861	0.1
181.08568	0.4
183.55841	0.2
187.03889	0.2
191.03409	0.5
191.07043	0.5
192.07799	0.2
193.05009	0.3
194.09421	0.5
195.06511	1.9
197.06027	0.4
199.03935	0.2
201.05519	0.2
203.03313	0.2
205.04918	2.3
206.05893	0.2
207.06567	0.3
213.05460	0.4
215.03510	0.2
225.05476	0.4
227.03322	0.2
229.04997	0.3
241.04990	0.7
242.02209	0.2
243.06514	1.1
245.04289	0.3
253.04933	0.3
255.02757	0.2
257.04486	0.6
268.03598	0.3
269.04425	0.7
270.01428	0.3
271.02405	0.6
279.03052	0.3
281.04526	0.2
283.02441	0.2
284.06686	0.2
285.04028	0.2
285.07358	0.2
287.05652	0.6
297.04001	0.6
299.05930	0.2
302.04288	0.2
303.05072	0.7
311.05112	0.2
312.06213	1.9
315.05447	0.3
317.08081	0.2
319.05997	0.2
321.03964	0.4
327.05261	0.2
329.04178	0.2
331.06097	0.5
331.09674	0.3
332.06949	0.2
333.04071	0.2
333.07709	0.2
335.05499	0.2
337.03580	0.2
343.06052	0.3
344.09143	0.4
345.09662	0.6
347.05539	0.3
347.09344	0.3
355.06015	0.2
357.03577	0.3
358.08322	0.2
359.05515	0.5
360.06329	0.7
361.07129	0.4
371.05612	0.3
372.06436	0.4
373.03357	0.3
375.04532	0.3
375.08749	0.8
377.06424	0.2
379.04300	0.3
385.03299	0.3
385.08878	0.4
386.07877	0.4
387.04745	1.6
388.05777	0.7
389.06406	0.5
390.11160	0.6
391.04410	0.5
393.06082	0.3
398.04044	0.3
399.04794	0.3
401.02716	0.5
401.06723	0.5
403.04395	0.5
404.04837	0.4
404.09586	0.2
405.05701	0.8
409.12781	0.3
414.07526	0.2
415.04343	6.9
416.04953	0.7
416.09595	0.3
417.06000	1.9
418.10764	1.1
419.07648	0.3
420.04303	0.4
421.04974	0.4
421.10269	0.7
429.06125	0.6
430.06741	1.4
431.08151	1.2
432.08435	2.1
433.09561	0.7
434.10397	0.4
435.11383	0.3
436.08041	0.4
437.08896	0.3
445.09601	7.2
446.09955	2.3
447.10791	1.8
450.09454	5.5
450.15796	0.3
451.09824	0.6
453.11838	0.3
459.07275	0.3
460.07922	0.7
463.10339	0.3
465.11786	0.7
475.10400	1.6
477.08316	1.1
484.08038	0.3
487.10223	0.2
493.11279	0.3
495.08749	0.3
500.07095	0.2
505.11023	0.8
515.09827	0.9
523.06653	0.3
541.07550	0.2
551.06262	0.3
553.11267	0.4
569.06744	0.5
571.12372	0.4
581.10370	0.3
583.08960	0.2
595.08881	0.3
597.06592	3.6
599.11774	1.1
601.13190	0.3
612.08588	0.6
613.09839	0.3
615.07452	0.3
627.01208	0.2
627.11176	3.7
645.12286	100.0
646.12604	6.6
687.13275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.2
67.05506	0.2
68.99787	0.7
69.03415	0.2
70.06569	0.3
71.04979	0.4
71.66317	0.3
79.05455	0.2
81.03384	0.2
82.46181	0.1
84.52978	0.1
85.02892	0.9
89.03922	0.2
91.05457	0.3
93.03384	0.2
97.02865	0.6
107.04933	0.3
111.04411	0.2
117.03364	0.1
120.02042	0.1
121.02840	0.4
121.06532	0.2
123.04459	0.2
127.03868	0.2
135.04410	0.4
137.02354	0.8
137.05942	0.4
139.07529	0.2
145.02837	0.7
147.04399	0.4
149.02332	0.5
149.05951	0.9
150.06689	0.2
151.03926	0.3
151.07521	1.1
153.01807	9.9
153.05348	0.2
154.02188	0.2
161.05962	0.2
162.03131	0.2
163.03899	0.9
165.01807	0.3
165.05527	0.2
167.03450	0.3
167.04860	0.2
167.07031	1.2
171.02869	0.2
171.04295	0.2
175.03929	0.2
176.04723	0.2
177.05438	2.5
178.06235	1.4
179.03436	0.5
179.06966	1.0
181.08586	0.4
185.05954	0.4
191.03406	0.6
191.07008	0.4
193.04967	0.4
193.25497	0.1
194.09398	0.6
195.06529	2.2
197.06032	0.5
201.05421	0.2
205.04968	2.4
206.05724	0.2
212.04445	0.2
213.05464	1.0
221.07964	0.3
225.05489	0.6
227.03403	0.2
229.04948	0.4
231.06567	0.3
239.03316	0.2
241.04842	1.0
243.06404	1.0
245.04424	0.5
251.03442	0.4
253.05023	0.3
255.02948	0.4
257.04504	0.4
269.04398	0.9
270.01593	0.5
270.04434	0.1
271.02362	0.7
271.05173	0.2
272.03091	0.3
279.02808	0.2
280.10049	0.2
281.04443	0.3
284.03125	0.2
285.04019	0.3
285.07446	0.2
287.05460	14.9
288.05688	0.4
297.03995	0.4
303.06329	0.2
306.05167	0.2
307.06012	0.2
309.03821	0.2
311.05850	0.2
312.06293	0.4
313.06934	0.2
315.05109	0.2
317.04492	0.3
317.08014	0.4
319.05969	0.2
321.04013	0.4
323.05563	0.2
327.06332	0.2
328.03870	0.3
329.04056	0.3
331.06116	0.6
331.09692	0.4
332.06564	0.4
333.07611	0.3
334.04410	0.2
335.05563	0.2
343.06076	0.5
344.08752	0.5
345.09634	0.6
346.04797	0.2
347.05435	0.5
347.09164	0.2
349.07162	0.3
351.05035	0.2
355.11609	0.2
357.03879	0.3
358.08466	0.2
359.05603	0.6
360.06161	0.9
361.07095	0.6
363.04788	0.3
363.08862	0.3
365.02658	0.2
371.05603	0.7
372.06204	0.3
373.03217	0.3
373.07364	0.2
374.03958	0.3
375.04630	0.3
375.08716	1.0
377.06317	0.2
377.10513	0.2
379.04532	0.6
383.05551	0.3
385.03061	0.2
386.07962	0.6
387.04819	2.2
388.05481	0.9
389.06607	0.6
390.11014	0.6
391.04382	0.6
391.08624	0.2
392.05148	0.2
393.06378	0.4
398.04245	0.6
399.04932	0.4
401.06760	0.6
402.03140	0.2
402.07730	0.2
403.04193	0.5
403.08450	0.4
404.09277	0.3
405.06125	0.6
407.03662	0.4
409.12576	0.3
410.47897	0.2
413.06650	0.2
414.02942	0.2
415.04358	7.7
416.03983	0.9
416.09714	0.8
417.05841	2.1
417.86450	0.2
418.05670	0.1
418.10562	2.0
419.11938	0.3
420.04828	0.4
421.09631	0.8
422.10052	0.2
422.90054	0.2
429.05655	0.8
430.06934	1.3
431.07767	1.3
432.08261	2.3
433.09692	1.0
434.09979	0.6
436.07852	0.4
437.08734	0.4
445.09604	8.2
446.09967	3.1
447.10736	2.3
448.11142	0.2
449.08438	0.2
450.09415	6.5
451.09836	0.6
459.06894	0.2
460.07825	0.9
463.10095	0.3
465.11789	0.9
475.10251	1.6
485.05109	0.3
487.10461	0.3
489.11252	0.2
493.11160	0.3
495.07007	0.2
497.08936	0.3
500.07428	0.4
505.11459	0.4
515.09613	0.8
523.06250	0.3
553.11566	0.3
566.08661	0.2
567.08826	0.4
569.07336	0.7
571.12341	0.2
576.50403	0.2
581.11078	0.2
595.08466	0.3
597.06671	2.3
598.07068	0.3
599.12073	1.2
612.08868	0.7
613.10175	0.4
615.07556	0.5
627.11188	4.4
628.11774	0.4
645.12292	100.0
646.12646	10.4
660.45825	0.2
867.59174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01814	0.1
67.05494	0.2
68.99792	0.4
69.03425	0.3
69.83445	1.0
70.06583	0.1
71.04987	0.8
79.05508	0.2
81.03432	0.3
85.02906	0.7
87.40993	0.2
95.04987	0.2
97.02914	0.4
107.04932	0.4
111.00822	0.2
113.02899	0.2
119.04976	0.2
121.02868	0.2
124.99642	0.1
127.03887	0.3
135.04422	0.4
137.02312	1.3
137.05960	0.2
139.03894	0.2
139.07504	0.3
145.02797	0.2
147.04449	0.4
149.02383	0.2
149.05940	0.7
151.03941	0.3
151.07530	0.5
153.01801	8.3
154.02153	0.2
161.05983	0.2
163.03880	0.8
164.04611	0.2
165.01805	0.2
167.03342	0.2
167.07025	1.2
171.02879	0.3
175.03989	0.2
177.05455	1.6
178.06241	1.3
179.07069	0.6
181.04861	0.1
181.08568	0.4
183.55841	0.2
187.03889	0.2
191.03409	0.5
191.07043	0.5
192.07799	0.2
193.05009	0.3
194.09421	0.5
195.06511	1.9
197.06027	0.4
199.03935	0.2
201.05519	0.2
203.03313	0.2
205.04918	2.3
206.05893	0.2
207.06567	0.3
213.05460	0.4
215.03510	0.2
225.05476	0.4
227.03322	0.2
229.04997	0.3
241.04990	0.7
242.02209	0.2
243.06514	1.1
245.04289	0.3
253.04933	0.3
255.02757	0.2
257.04486	0.6
268.03598	0.3
269.04425	0.7
270.01428	0.3
271.02405	0.6
279.03052	0.3
281.04526	0.2
283.02441	0.2
284.06686	0.2
285.04028	0.2
285.07358	0.2
287.05652	0.6
297.04001	0.6
299.05930	0.2
302.04288	0.2
303.05072	0.7
311.05112	0.2
312.06213	1.9
315.05447	0.3
317.08081	0.2
319.05997	0.2
321.03964	0.4
327.05261	0.2
329.04178	0.2
331.06097	0.5
331.09674	0.3
332.06949	0.2
333.04071	0.2
333.07709	0.2
335.05499	0.2
337.03580	0.2
343.06052	0.3
344.09143	0.4
345.09662	0.6
347.05539	0.3
347.09344	0.3
355.06015	0.2
357.03577	0.3
358.08322	0.2
359.05515	0.5
360.06329	0.7
361.07129	0.4
371.05612	0.3
372.06436	0.4
373.03357	0.3
375.04532	0.3
375.08749	0.8
377.06424	0.2
379.04300	0.3
385.03299	0.3
385.08878	0.4
386.07877	0.4
387.04745	1.6
388.05777	0.7
389.06406	0.5
390.11160	0.6
391.04410	0.5
393.06082	0.3
398.04044	0.3
399.04794	0.3
401.02716	0.5
401.06723	0.5
403.04395	0.5
404.04837	0.4
404.09586	0.2
405.05701	0.8
409.12781	0.3
414.07526	0.2
415.04343	6.9
416.04953	0.7
416.09595	0.3
417.06000	1.9
418.10764	1.1
419.07648	0.3
420.04303	0.4
421.04974	0.4
421.10269	0.7
429.06125	0.6
430.06741	1.4
431.08151	1.2
432.08435	2.1
433.09561	0.7
434.10397	0.4
435.11383	0.3
436.08041	0.4
437.08896	0.3
445.09601	7.2
446.09955	2.3
447.10791	1.8
450.09454	5.5
450.15796	0.3
451.09824	0.6
453.11838	0.3
459.07275	0.3
460.07922	0.7
463.10339	0.3
465.11786	0.7
475.10400	1.6
477.08316	1.1
484.08038	0.3
487.10223	0.2
493.11279	0.3
495.08749	0.3
500.07095	0.2
505.11023	0.8
515.09827	0.9
523.06653	0.3
541.07550	0.2
551.06262	0.3
553.11267	0.4
569.06744	0.5
571.12372	0.4
581.10370	0.3
583.08960	0.2
595.08881	0.3
597.06592	3.6
599.11774	1.1
601.13190	0.3
612.08588	0.6
613.09839	0.3
615.07452	0.3
627.01208	0.2
627.11176	3.7
645.12286	100.0
646.12604	6.6
687.13275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.55
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	74.8
69.03421	28.3
69.07059	32.2
70.06568	4.0
71.01337	2.3
71.04980	10.4
71.60544	3.3
73.02915	11.5
79.05481	77.5
81.03408	40.3
81.07045	81.5
82.07401	2.3
83.04966	14.4
83.08605	20.7
85.02891	38.2
85.06522	4.1
91.03947	14.5
91.05464	67.1
93.07030	70.7
95.04965	17.8
95.08591	59.8
97.02875	34.9
97.06519	19.6
97.10159	13.1
99.04452	5.9
99.08063	2.9
101.02347	6.1
103.05419	2.8
104.76891	2.1
105.06342	4.3
105.07014	61.3
105.07732	3.3
105.18362	2.3
107.04925	11.2
107.08578	42.0
109.02850	8.0
109.06509	9.7
109.10138	22.8
111.04441	3.5
111.08054	6.0
115.03897	2.2
115.05455	4.5
117.06994	31.6
119.08564	50.0
121.06485	7.0
121.10130	31.2
123.08054	8.3
123.11683	8.5
125.09620	10.4
127.03891	12.5
127.11144	2.9
128.06183	6.3
129.05469	4.3
129.06992	20.9
131.08553	44.2
133.06482	6.1
133.10115	43.1
134.10489	2.5
135.08055	7.6
135.11633	17.9
137.09573	6.7
141.06972	6.8
141.09073	2.2
142.07729	5.8
143.08540	27.2
145.04903	5.9
145.06435	6.5
145.10095	35.7
147.08008	4.7
147.11684	25.8
149.09589	11.1
149.13223	10.3
151.11192	4.2
153.06975	2.7
155.08551	17.0
156.09348	3.4
157.10138	20.8
159.08107	3.8
159.11668	24.1
161.09634	5.7
161.13214	15.0
163.11192	5.2
163.14740	2.3
165.12804	2.8
167.08540	7.0
169.10107	17.0
171.08008	2.9
171.11688	18.3
173.04500	10.5
173.09666	5.9
173.11874	3.2
173.13196	12.2
175.11133	3.3
175.14885	5.1
179.08498	4.5
181.10135	8.4
181.86464	2.2
183.07912	2.7
183.11665	15.8
184.07324	8.8
185.09517	2.8
185.13196	15.9
187.11189	4.4
187.14795	8.0
189.11128	4.5
189.12747	2.9
193.10097	4.4
195.11705	10.2
195.13759	2.6
197.13271	11.4
199.11183	3.4
199.14748	9.0
201.16521	3.2
207.11630	6.3
209.13225	8.5
211.11040	3.4
211.14792	8.6
213.12772	2.6
213.16405	4.4
215.17818	2.3
221.13203	4.8
223.14717	4.3
225.16391	4.7
227.10626	2.8
227.12723	8.5
229.14297	5.2
229.19536	3.6
231.17427	2.8
235.14859	4.3
237.16338	3.2
239.17982	5.5
241.19485	8.0
249.16373	2.5
251.18114	3.3
257.18973	6.2
259.15134	2.5
259.20593	14.3
267.15851	4.8
267.21185	3.1
269.17371	5.4
271.20508	3.5
273.18497	3.8
275.20074	15.6
291.19485	4.7
301.21622	2.7
303.15808	2.6
313.21429	2.7
315.23074	2.8
333.24219	15.7
335.25705	8.3
341.24622	4.0
349.23642	9.5
367.22684	2.4
381.31854	3.2
435.32285	3.5
439.32193	2.5
441.26199	2.7
492.00421	2.3
495.34494	4.2
503.33176	2.9
513.35840	21.1
515.38428	6.6
527.37268	15.9
533.40045	7.1
537.35480	3.0
543.36530	4.0
545.38452	3.2
551.40918	4.0
556.17053	2.3
567.39203	2.7
597.45300	3.3
607.43494	58.0
608.43079	3.2
625.44513	100.0
626.44812	8.4
635.39252	5.4
649.44452	3.2
653.40497	5.3
671.41302	10.0
689.42615	7.6
715.45319	2.8
733.46338	4.9
769.48022	10.6
787.49945	18.0
949.35529	52.6
949.54492	14.1
950.36987	16.5
950.53821	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	944.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	10.4
69.03429	6.6
69.07051	11.8
70.06568	3.1
71.01358	1.7
71.04980	45.1
71.08597	1.0
73.02895	3.0
75.04479	6.1
79.05483	7.8
81.03407	2.8
81.07042	32.7
83.04964	21.5
83.08592	6.8
85.02891	100.0
86.06059	2.5
87.04462	2.7
91.05483	6.5
93.07022	15.7
95.01308	7.6
95.04948	3.6
95.08589	52.2
97.02873	12.5
97.06462	1.3
97.10140	4.9
98.20660	2.1
99.00802	1.0
99.04427	3.1
101.06007	1.5
103.03904	1.8
105.07008	12.5
107.07919	1.7
107.08575	22.1
108.08872	1.0
109.02861	3.0
109.06487	1.4
109.10140	36.5
111.04421	24.4
111.11700	1.5
113.02327	1.3
119.08564	16.5
121.10121	29.0
123.11688	15.8
125.09592	1.3
127.03900	9.3
129.05463	49.2
131.03400	1.3
131.08559	5.5
133.10120	13.8
135.11676	17.5
137.05934	1.1
137.13239	18.0
139.11212	1.5
141.01807	33.0
143.08531	1.6
145.04938	14.4
145.10083	9.4
147.06496	30.1
147.11676	9.3
149.13231	18.3
149.14331	2.0
151.11070	1.0
151.14743	1.6
157.10115	2.5
159.02867	16.3
159.11696	9.3
161.06099	1.1
161.13219	12.3
163.05962	6.5
163.14816	8.2
164.09135	3.1
165.07555	2.4
165.12730	1.7
171.06471	1.6
171.11652	1.8
173.13229	6.9
175.14810	9.1
177.03925	1.9
177.05408	1.8
177.16353	16.2
179.17931	1.8
187.14723	5.4
189.16397	8.3
191.17915	15.9
199.14720	2.0
201.16350	7.4
203.17961	12.3
205.15942	1.6
205.19450	17.2
207.17384	2.0
215.17975	9.5
217.19499	10.4
219.17404	5.4
219.21021	2.3
221.19022	3.0
225.07518	1.6
227.17973	2.0
229.19470	11.3
231.21017	3.5
233.18951	8.6
237.07654	1.7
241.19357	2.5
243.21071	2.0
245.19025	1.1
245.22575	2.6
247.20573	5.0
255.08569	3.3
255.21127	1.6
257.22571	4.0
259.20660	1.3
264.31314	1.1
269.06516	4.3
269.22552	2.3
271.24335	1.5
273.09567	4.9
273.22031	2.1
275.23557	4.7
287.07693	5.1
287.23602	1.3
301.25095	1.4
305.08612	15.4
309.11652	9.5
315.04996	2.3
321.08029	3.7
323.09543	4.8
330.07147	1.3
345.09659	5.1
346.09625	1.0
359.07663	1.3
383.33240	1.2
407.36658	29.0
408.37030	2.2
425.37714	65.7
426.38104	2.8
602.41492	1.4
812.42828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.2
69.96491	1.2
79.05464	0.3
79.27498	0.3
81.07057	0.3
88.45441	0.3
91.05506	0.2
94.06607	0.3
115.87434	0.2
118.06601	0.3
120.08129	0.4
129.06931	0.3
158.09714	0.3
168.81314	0.2
182.09717	0.3
183.09145	0.3
195.09268	0.5
196.09932	0.5
197.10712	0.5
207.09224	0.6
208.09976	0.6
209.10727	1.5
210.11415	1.3
211.12347	1.1
212.13095	0.5
220.09941	0.7
221.10706	1.8
222.11542	1.0
223.08838	0.5
223.12265	2.4
224.13145	1.2
225.13835	3.1
226.14493	1.3
233.10805	0.5
234.11581	0.9
235.08734	0.4
235.12291	1.7
236.09447	0.6
236.13049	1.8
237.10310	1.0
237.11505	0.3
237.13864	3.9
238.14598	1.9
239.15414	1.5
239.85797	0.3
247.12473	0.5
248.13242	0.4
249.10333	1.1
249.13799	2.0
250.10905	0.4
250.14777	0.4
251.12067	0.6
251.15453	0.7
261.10327	0.3
261.14026	0.4
262.14673	0.9
263.08279	0.4
263.11856	0.4
263.15533	0.3
265.09723	0.6
273.13840	0.3
273.18683	0.3
275.15509	0.7
276.16193	0.3
277.09866	0.7
295.02670	0.3
297.04141	0.3
299.05576	0.4
300.11798	0.3
301.13153	0.3
305.09259	0.3
310.13364	0.3
311.13937	0.6
314.12994	0.5
325.12103	0.3
327.05139	0.9
328.14545	0.5
329.10303	0.4
335.25854	0.3
337.11960	0.7
338.13150	0.3
340.05853	0.4
342.07678	0.4
355.08340	0.8
357.09702	2.0
366.16260	0.3
400.17264	0.5
401.17914	0.6
402.18546	0.6
403.19498	0.5
415.19519	0.8
416.15964	0.5
417.16864	0.7
417.21265	0.8
429.16431	1.3
429.21964	0.4
430.17432	1.2
431.18039	2.2
432.18927	0.3
433.24210	0.4
441.17209	0.5
443.18701	1.8
444.18964	1.6
445.19952	3.5
446.21255	0.8
447.22076	0.9
457.20526	1.1
458.21548	0.6
459.21875	7.1
460.22629	2.6
461.23450	1.1
470.17746	0.4
471.17911	0.5
471.22626	0.3
472.18524	0.7
472.23615	0.3
473.24365	1.9
476.22144	0.5
485.19174	0.4
487.20676	0.8
487.25391	1.4
489.19464	0.3
499.21399	0.5
501.23291	0.8
503.20920	0.8
504.21667	0.8
505.22577	0.9
515.24268	0.3
516.22089	0.4
517.22046	1.3
518.23419	1.1
519.16241	0.6
519.23840	10.6
520.16705	0.4
520.24451	0.7
529.20642	0.4
531.23627	0.9
532.24725	0.6
533.25378	1.6
534.26520	0.8
544.21259	0.7
545.26221	1.4
546.26190	1.1
547.27155	0.7
559.23657	0.9
560.24805	0.4
561.25244	1.8
574.25854	0.5
576.24316	0.4
577.24158	0.3
592.26837	0.5
593.28143	1.3
605.27399	1.1
606.28363	0.6
607.43549	0.3
628.20056	0.3
757.25104	0.3
771.25470	0.4
773.26642	0.5
785.26617	0.3
787.27795	1.0
815.30487	0.5
827.28009	0.3
831.27185	0.5
847.29486	0.8
859.29602	0.8
861.31903	0.6
862.32080	0.8
885.31348	1.1
887.28699	0.6
889.34357	6.3
890.35217	0.8
899.33020	0.5
917.33832	21.0
918.34198	2.2
919.32477	0.3
934.34320	0.6
949.36432	100.0
950.36670	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	944.52
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.1
69.03416	14.0
69.07059	9.0
70.97033	1.7
71.01351	4.0
71.01689	0.7
71.04983	50.1
71.08624	1.0
71.45804	0.7
73.02519	1.1
73.02908	15.8
75.04473	5.2
79.05482	6.9
81.03407	4.5
81.07043	30.1
81.21976	0.6
83.04968	25.8
83.08611	5.1
85.02892	91.1
85.06532	0.6
86.03259	0.9
87.04462	2.5
91.05458	4.6
93.07037	17.1
95.01311	3.2
95.04958	3.8
95.08594	51.5
96.08930	1.1
97.02879	35.9
97.06493	1.4
97.10147	4.0
99.00803	1.3
99.04460	3.0
101.02335	0.8
101.06017	1.5
103.03947	2.2
105.07015	12.1
107.04926	0.8
107.08582	23.8
109.02869	1.7
109.06506	1.5
109.10143	28.1
110.10500	0.8
111.04429	25.1
111.08085	1.2
111.11699	0.8
113.02327	4.1
113.05994	1.5
115.03102	1.2
115.03912	20.5
117.05493	1.9
117.07001	1.0
119.08569	17.2
121.06463	1.0
121.10130	23.0
123.08054	1.4
123.11691	16.5
125.02322	0.7
125.05969	0.9
127.03903	1.5
129.05461	40.4
130.05786	0.8
131.08557	5.3
133.04944	4.9
133.10103	9.5
135.04431	1.2
135.08054	2.2
135.11668	17.9
135.12643	1.2
136.12112	0.7
137.02313	0.6
137.06033	1.3
137.13234	16.8
139.03897	1.8
139.07524	0.7
141.01804	25.4
141.05524	1.0
141.81619	0.6
143.03357	0.9
143.08557	1.7
145.04965	0.7
145.10092	10.9
146.08151	1.3
147.06503	19.7
147.11662	11.4
148.06822	0.8
149.09593	2.1
149.13239	17.8
151.03975	0.9
151.14839	2.1
155.03313	1.1
157.04926	3.4
157.10086	6.0
159.02869	11.6
159.11691	13.5
161.05902	0.8
161.09575	1.3
161.13242	14.2
163.03815	0.6
163.06012	3.0
163.07370	1.1
163.11143	1.7
163.14796	9.4
164.09186	3.3
164.15215	0.8
165.01808	0.9
165.07584	1.6
169.04941	1.6
169.10106	1.4
170.10922	0.9
171.06531	2.9
171.11687	7.8
173.09660	0.6
173.13235	13.0
173.14603	1.0
175.11154	2.2
175.14806	8.2
177.03955	1.6
177.05431	1.6
177.16370	7.0
179.07033	1.0
179.18022	1.5
181.04985	0.9
183.06448	1.0
183.11699	1.8
185.13213	5.5
187.11232	0.8
187.14789	10.7
189.12729	1.4
189.16362	7.9
191.10599	1.4
191.14305	2.1
191.17921	31.0
192.18260	0.8
193.12242	1.0
197.13268	2.1
199.05940	1.4
199.14795	5.6
201.16365	13.6
203.14290	2.5
203.17937	10.4
205.12146	1.3
205.15895	2.2
205.19475	11.8
207.06494	0.8
207.10204	0.7
207.13792	3.0
211.14832	1.4
213.03938	0.8
213.07570	1.1
213.16341	4.3
215.14297	1.3
215.17932	1.7
217.07047	3.1
217.12381	1.4
217.15967	4.9
217.19481	13.6
219.04854	1.5
219.13828	3.8
219.17477	2.8
219.21039	5.5
221.11609	0.8
225.07527	17.0
227.17903	1.3
231.08746	0.8
231.13785	2.4
231.17471	1.1
231.21085	2.4
233.15317	8.6
235.13373	1.1
237.14861	1.9
239.17946	1.8
241.19504	1.8
243.08612	9.7
243.98941	0.7
245.15283	5.4
245.22522	2.9
247.16885	8.7
249.14774	1.3
251.16411	1.9
253.19365	1.0
255.04951	2.5
255.21107	0.8
259.16962	4.7
259.19559	0.8
261.09589	3.6
263.16306	3.9
265.18033	1.9
267.15961	2.1
269.06543	3.2
271.17099	0.7
273.06049	3.6
273.18585	1.5
275.16370	0.9
277.17947	4.7
279.10718	21.7
279.13791	1.3
285.18442	0.7
287.07596	6.8
287.20056	2.9
291.07098	2.1
291.19568	1.8
299.20084	1.7
301.21582	1.2
303.19531	1.3
305.08655	11.1
305.21100	7.5
309.08136	2.4
313.21497	1.0
317.21176	1.7
323.09735	3.6
327.23273	0.8
331.22720	1.3
345.09445	1.4
345.24493	0.7
359.25711	0.9
391.33624	3.5
395.14871	0.9
401.10712	1.2
409.34625	5.8
419.33124	1.8
437.34109	37.6
438.34143	1.1
455.35156	100.0
456.35385	6.5
473.36453	0.8
547.37219	0.8
565.38654	1.7
651.28186	0.7
661.29846	0.9
679.30573	1.7
697.31250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01846	0.2
69.03415	0.5
71.59220	0.3
85.02896	0.2
95.02457	0.2
96.94346	0.2
97.02863	0.3
99.85687	0.2
107.04929	0.4
111.00794	0.3
115.82688	0.2
121.06506	0.2
123.04435	0.3
127.03897	0.4
135.04434	0.4
136.33502	0.2
137.05923	0.5
139.07545	0.3
147.04420	0.4
149.05943	1.0
151.03909	0.5
151.07539	0.7
153.01805	9.7
153.05481	0.3
157.73111	0.2
163.03917	1.0
165.01817	0.3
165.05420	0.2
167.03458	0.3
167.07039	1.3
168.07799	0.2
169.32072	0.2
175.03845	0.3
177.05444	1.6
178.06218	1.4
179.03406	0.3
179.07079	0.6
181.04840	0.3
181.08536	0.4
191.03394	0.8
191.06972	0.4
194.09322	0.5
195.06514	2.3
196.19859	0.2
197.06020	0.3
205.04935	2.5
211.03888	0.2
213.05469	0.4
223.03610	0.2
225.05449	0.4
229.05005	0.3
241.04895	0.6
243.06502	1.4
245.04379	0.3
254.26405	0.2
255.02794	0.3
257.04468	0.4
269.04422	0.5
270.01675	0.3
271.02362	1.1
271.05972	0.2
283.02563	0.3
297.03931	0.6
299.05219	0.3
303.06366	0.3
305.04495	0.3
306.05353	0.3
309.03860	0.4
312.06223	0.5
313.07202	0.3
315.06161	0.3
317.08142	0.3
319.06146	0.4
321.03900	0.4
329.04178	0.3
331.05905	0.4
331.09610	0.4
333.07544	0.3
337.03351	0.3
342.05249	0.4
344.09018	0.2
345.09540	0.2
346.04587	0.3
347.05441	0.6
347.09225	0.4
349.07166	0.4
355.05838	0.4
357.03680	0.3
359.05429	0.4
360.06204	1.0
360.10095	0.3
361.07111	0.5
371.05310	0.3
373.03204	0.3
373.07397	0.3
374.08203	0.2
375.04837	0.7
375.08624	1.0
386.08054	0.4
387.04846	1.9
388.05679	0.9
389.06570	0.7
390.10956	0.6
391.04257	0.5
398.04105	0.3
399.04965	0.4
401.02609	0.5
401.07092	0.5
402.03281	0.3
402.07745	0.3
403.04449	0.9
403.08765	0.4
404.09109	0.3
405.06155	0.7
409.12863	0.3
414.07208	0.4
415.04364	7.2
416.05103	0.7
416.09479	0.5
417.05930	2.1
418.10501	1.4
419.07318	0.4
420.04568	0.5
421.04663	0.4
421.09311	1.0
429.06232	0.9
430.06638	1.6
431.07846	1.8
432.08420	2.7
433.09430	1.2
434.09964	0.7
435.06686	0.3
436.08026	0.9
445.09583	8.4
446.09933	2.7
447.10776	2.6
448.11429	0.2
450.09375	6.3
451.09885	0.5
460.07935	0.8
461.08447	0.4
465.11826	1.2
475.10190	1.8
484.07727	0.4
487.09952	0.4
493.11404	0.4
515.09747	0.6
523.06366	0.3
551.06573	0.4
567.09167	0.5
569.07227	0.5
597.06659	2.7
598.06860	0.3
599.12103	1.6
612.08960	0.5
613.09821	0.5
617.86145	0.2
627.11243	3.4
628.11261	0.5
631.10760	5.0
632.45551	0.3
645.12286	100.0
646.12604	5.7
657.12622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.1
67.05496	100.0
69.03413	5.9
69.07059	17.2
70.06607	1.8
70.14542	9.3
71.01327	3.1
71.04982	7.8
73.02911	3.9
79.05485	52.8
81.03414	10.3
81.07044	64.6
83.04957	8.0
83.08614	14.4
85.02895	23.7
85.06504	3.3
86.26379	1.8
87.04459	3.6
91.03932	7.3
91.05460	29.2
93.07033	52.2
95.04945	9.1
95.08591	44.8
97.02883	8.8
97.06507	6.3
97.10153	22.9
103.98386	1.9
105.07018	23.8
107.04930	4.1
107.07919	3.0
107.08580	35.2
109.06468	4.4
109.10139	59.5
111.04420	2.6
111.08062	7.0
113.09627	2.0
117.07015	10.0
119.08569	22.2
121.06439	2.2
121.10119	27.7
123.08044	5.3
123.11687	5.0
125.09622	20.0
127.03893	3.4
129.06993	4.3
131.08528	14.7
133.10115	15.3
135.08014	2.6
135.11667	18.5
136.22646	1.8
137.09598	7.4
139.11119	2.9
143.08556	3.9
143.10669	2.0
145.04970	3.2
145.10103	15.7
147.11678	9.6
149.02306	2.5
149.09579	5.2
149.13234	7.2
153.12625	1.9
155.10660	2.9
157.10123	2.5
159.11624	9.4
161.13266	5.8
163.05995	1.9
163.11209	6.4
163.14799	3.7
169.10094	2.7
171.11682	4.5
173.11723	17.2
173.13232	7.6
175.11081	2.0
181.12254	3.3
181.71075	1.9
185.13272	2.7
187.14822	2.5
191.14314	2.3
192.49170	2.0
193.12219	6.2
199.13261	7.9
209.11722	3.2
210.57181	1.8
211.13162	3.1
217.14331	3.4
224.82959	1.8
227.12689	9.8
229.14297	55.2
229.16447	3.0
243.21021	6.1
245.13727	3.8
256.25858	1.8
259.20538	5.3
261.22153	21.7
267.15900	8.4
271.20572	2.1
277.21756	2.0
283.15518	3.2
285.21957	2.6
289.21576	2.3
299.23657	2.0
301.16379	27.1
315.23010	3.7
317.24625	2.6
335.25754	98.3
336.26089	7.2
353.59247	1.8
363.25262	2.9
442.19434	2.6
454.15494	2.3
467.16870	2.9
468.17621	3.9
469.18167	2.7
477.35593	15.7
489.35727	26.8
505.35388	2.6
541.20087	2.5
542.20624	5.0
543.36566	12.7
559.37726	2.3
561.37762	19.6
569.19830	6.8
570.20490	13.0
571.20721	2.4
579.38715	5.1
629.22406	6.5
630.22650	19.5
882.56506	2.1
901.44019	2.5
938.45062	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	938.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.3
67.05494	100.0
69.03419	4.8
69.07060	20.9
70.06581	2.9
71.01315	1.8
71.04974	6.8
71.58862	1.5
71.59230	1.8
73.02898	4.0
77.03918	1.7
79.05033	3.1
79.05481	54.1
81.03397	10.0
81.07043	69.7
81.94811	1.4
82.07397	1.5
83.04979	7.2
83.08600	18.3
85.02887	23.1
85.06518	3.2
87.04417	3.6
91.03945	4.8
91.05458	32.9
93.07030	55.5
95.04943	10.3
95.08591	51.2
97.02879	8.5
97.06521	5.0
97.10151	23.1
105.07024	18.8
107.04939	4.0
107.08579	33.8
109.06509	4.1
109.10143	61.6
111.04420	1.8
111.08068	5.4
117.07005	8.0
118.24969	1.4
119.08571	21.8
121.10123	26.0
121.98436	1.4
123.07995	3.3
123.11697	4.7
125.09592	16.8
127.03870	3.4
129.07008	3.6
131.08542	18.0
133.10109	15.5
135.11679	17.5
137.09599	5.0
139.11192	2.1
143.08577	3.4
143.10722	2.2
145.04871	3.5
145.10106	13.2
147.11671	10.3
149.02324	1.8
149.09602	2.7
149.13223	8.8
151.11150	2.4
153.12672	2.8
155.08588	2.6
155.10741	2.2
157.10080	3.5
159.11656	10.4
161.09576	1.6
161.13240	5.2
162.99849	1.6
163.06038	3.0
163.11150	5.1
163.14810	3.8
167.10678	1.8
171.11685	1.8
173.09621	2.6
173.11707	16.1
173.13219	4.1
174.41272	1.5
175.14822	3.1
183.11800	1.5
185.13162	3.0
185.24391	1.5
187.14781	4.5
189.11244	1.9
193.04991	1.8
193.12222	3.2
199.13309	6.8
199.68947	1.6
209.11717	4.4
211.13174	2.6
217.14233	1.6
227.12752	6.5
229.14325	48.6
243.21097	5.2
245.13971	3.6
257.13892	2.5
259.20578	2.3
261.22089	18.5
267.15927	7.4
277.21393	2.5
283.15326	1.7
285.22092	2.1
289.21594	2.3
299.14725	3.8
301.16415	20.5
303.23257	1.8
315.23154	2.6
317.24673	3.4
335.25745	92.0
336.26123	4.3
345.09689	2.7
345.23773	1.5
363.25339	4.3
407.27805	1.9
419.23172	1.7
451.31796	2.0
459.34616	2.0
469.33292	1.9
477.35593	12.9
487.33765	1.9
489.35608	24.7
543.36603	9.6
553.20538	2.1
561.37665	16.8
579.38763	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	939.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01860	0.4
67.49452	0.2
68.99773	0.6
69.03419	0.7
69.84253	1.2
79.05488	0.4
85.02882	0.5
87.04433	0.3
97.02879	0.5
98.21339	0.4
115.03902	0.2
118.44678	0.2
121.02838	0.3
122.03581	0.2
131.05032	0.2
135.04303	0.3
137.05954	0.2
139.07585	0.5
147.04384	0.4
148.05046	0.2
149.05960	0.9
151.03885	0.3
151.07462	1.0
153.01807	10.6
153.05409	0.3
154.02249	0.2
163.03902	0.7
165.01898	0.3
167.07005	1.0
168.07857	0.3
169.06523	0.3
171.02939	0.2
177.05432	1.3
178.06221	1.4
179.03476	0.3
179.07037	0.9
181.08580	0.3
187.03923	0.2
191.03397	0.8
191.06999	0.6
193.05034	0.2
194.09409	0.5
195.06517	2.0
197.05956	0.5
199.03984	0.2
205.04945	2.6
206.05792	0.3
213.05516	0.3
215.07008	0.2
225.05486	0.7
229.04839	0.3
239.03564	0.2
241.05031	0.5
243.06451	1.0
244.03743	0.3
245.04449	0.4
253.04922	0.2
255.02870	0.3
257.04620	0.6
269.04416	0.7
270.01743	0.3
271.02463	1.0
273.03934	0.3
274.04877	0.4
283.06204	0.2
285.03754	0.2
297.04080	0.6
303.06476	0.4
312.06366	0.4
317.04626	0.2
317.08038	0.3
321.04059	0.4
329.04169	0.2
331.08624	0.7
332.06842	0.4
335.05716	0.4
342.05307	0.3
343.05945	0.3
347.05426	0.5
347.09222	0.4
349.07175	0.3
351.05145	0.3
355.05948	0.2
356.06812	0.2
358.04498	0.3
358.08536	0.2
359.07919	0.5
360.06119	0.9
361.09445	0.2
370.04306	0.3
371.05566	0.5
372.02319	0.3
373.07126	0.3
374.03967	0.3
375.04706	0.3
375.09070	1.0
379.04425	0.3
385.03238	0.2
386.07962	0.6
387.04898	2.5
387.08752	0.3
388.05475	1.1
389.06604	0.5
390.10855	0.7
391.04553	0.6
393.05991	0.3
398.04071	0.5
399.04977	0.2
401.06976	0.3
403.04242	0.5
404.04761	0.3
405.05972	0.6
409.12775	0.2
411.04877	0.3
413.06854	0.3
415.04404	7.3
416.04868	0.8
416.09192	0.6
417.05927	1.9
418.06314	0.2
418.10620	2.0
419.07370	0.5
420.04565	0.3
421.09406	0.6
429.05661	0.9
430.06757	1.4
431.08005	1.1
432.08356	1.9
433.09183	0.8
434.10098	0.7
436.08057	0.3
437.08350	0.2
445.09689	6.9
446.10043	2.1
447.10687	2.3
450.09424	5.5
451.09286	0.6
459.07504	0.3
460.08090	0.7
463.09796	0.3
465.11871	1.1
471.10907	0.2
473.08420	0.2
475.04364	0.2
475.10147	1.4
493.11108	0.5
497.08701	0.2
501.07968	0.3
515.09772	0.7
553.12000	0.4
553.20728	1.2
569.07147	0.6
571.11859	0.3
595.08484	0.2
597.06482	2.0
598.06958	0.4
599.12079	1.4
612.09064	0.5
613.09283	0.3
615.07867	0.3
627.11230	4.0
627.24188	1.4
630.13495	0.3
631.13275	0.3
645.12323	100.0
646.12616	8.4
647.84564	0.2
930.07947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.6
69.03426	2.8
70.97940	1.5
70.98280	1.6
71.01308	0.8
71.04987	0.8
71.36573	0.8
73.02909	4.5
76.25548	0.8
79.05499	1.3
80.30660	0.7
81.03401	1.5
81.07067	3.1
85.02901	6.0
85.10175	1.1
87.04449	1.0
91.03445	0.7
91.03954	3.4
91.05486	0.8
93.07038	1.9
95.08604	4.0
96.69828	0.9
97.02869	6.5
97.15678	0.7
99.04485	1.1
101.02381	2.4
104.99262	7.2
109.02879	1.1
109.10166	0.7
119.08562	1.1
119.96599	0.8
121.10193	0.9
127.03907	1.5
133.10094	0.8
135.11655	0.8
137.40318	0.8
153.47823	0.8
175.38194	0.7
185.04257	1.3
186.99532	3.9
203.05377	1.5
215.46530	0.7
243.08513	2.5
269.00015	2.1
286.99100	2.2
313.27463	1.1
320.94635	0.8
347.09656	2.9
365.10901	0.9
405.13577	6.9
433.00824	0.8
497.30814	4.6
500.54022	1.0
519.28857	5.3
659.36243	4.0
681.34515	5.2
775.52881	0.9
841.74274	1.0
937.58521	100.0
938.59113	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	936.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.8
67.05495	64.1
69.03427	6.8
69.07057	13.5
70.06574	1.3
71.01308	1.2
71.04977	3.8
71.08616	1.6
73.02908	2.4
73.37724	0.8
75.72700	0.8
77.03884	0.9
79.05481	51.7
81.03407	84.6
81.07044	70.6
81.07539	1.7
82.03746	0.8
83.04964	8.4
83.08110	1.7
83.08604	23.1
85.02883	9.9
85.06516	2.4
91.03959	6.6
91.05465	40.9
93.07030	53.1
95.04956	31.6
95.05429	0.7
95.08593	53.8
97.02888	6.7
97.06520	3.3
97.10151	7.8
99.04450	1.1
99.08077	1.8
103.05466	1.6
105.07017	32.6
107.04964	7.5
107.08578	31.5
107.48358	0.9
109.02895	1.2
109.06490	6.5
109.10143	25.3
111.04462	1.7
111.08091	6.8
115.03860	0.9
115.05444	2.0
117.07009	8.6
119.05003	0.9
119.08563	27.1
121.06464	5.1
121.10125	28.0
123.04425	3.5
123.08053	4.0
123.11689	9.3
125.09579	5.0
127.03906	2.0
128.06198	1.1
129.06989	11.1
131.08554	24.2
133.06429	4.0
133.09184	1.6
133.10109	18.8
135.08031	2.4
135.11668	18.0
137.09605	3.2
137.13242	2.8
141.06955	2.3
142.07814	2.5
143.08565	3.9
145.04938	2.5
145.06483	1.3
145.10112	13.2
147.04410	1.4
147.08052	4.2
147.11670	14.9
149.09575	5.8
149.13232	9.3
151.11165	1.2
155.08586	1.4
157.10110	11.1
159.08075	1.5
159.11662	9.1
161.13246	5.6
162.97319	0.8
163.05984	5.3
163.11180	3.2
163.14798	3.7
165.12701	1.5
169.10190	1.7
171.11681	3.6
173.09665	1.5
173.13228	7.3
175.11179	10.1
175.14870	3.4
177.12801	2.0
177.16385	1.6
183.11646	1.5
185.13277	2.5
187.11163	1.3
187.14813	3.2
189.05325	1.0
189.11182	4.3
189.12724	1.6
193.12216	22.4
195.11719	1.2
201.16452	1.8
205.12180	0.9
207.13658	1.3
211.13194	2.2
227.12741	6.3
233.15407	1.2
235.13148	2.2
243.21066	5.9
249.14873	2.9
259.13321	2.1
261.22107	22.4
267.15869	91.1
268.16238	2.0
273.14841	2.4
279.23114	1.6
281.21078	1.0
285.21951	1.3
301.14285	2.5
301.22238	1.0
301.25220	5.2
303.22974	1.2
309.17023	4.5
313.27399	3.3
317.24609	2.8
333.24051	1.0
335.25751	100.0
336.26120	2.8
340.91739	0.9
341.24518	1.0
343.22964	1.1
402.79340	0.9
403.24722	1.9
411.19839	1.1
417.26337	1.4
417.31363	1.2
421.25693	3.5
435.27274	2.5
435.32507	5.7
442.32947	0.9
449.28964	1.5
453.33606	8.4
461.28986	1.6
471.34891	5.7
475.30771	1.1
497.30569	1.1
509.35843	1.8
523.34454	1.0
527.37250	73.9
528.37646	3.0
545.38318	69.2
546.38483	3.2
559.39899	2.1
569.38269	11.9
587.39117	3.3
611.39191	2.8
623.39362	3.8
635.39142	4.1
638.18134	1.0
653.39984	3.5
671.41229	2.9
681.73248	1.1
919.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31702	0.3
67.05495	0.9
69.19529	0.3
73.47221	0.4
79.05499	0.8
81.07053	1.0
83.34584	0.4
91.05473	0.8
93.07044	0.6
95.08633	0.7
98.21462	0.9
105.07034	0.7
107.08615	0.4
111.04444	0.4
118.06589	0.3
120.08100	0.5
121.10155	0.8
129.07004	0.4
139.58972	0.3
151.07605	0.5
160.86273	0.4
166.06677	0.3
195.09149	0.5
197.10776	0.8
207.09100	0.4
208.10037	0.6
209.10789	1.5
210.11467	1.9
211.12375	1.3
212.13153	0.6
220.09949	0.6
221.10716	1.9
222.11528	1.0
223.08867	0.5
223.12276	2.8
224.13116	1.6
225.10326	0.5
225.13876	3.6
226.14713	1.4
234.11473	0.6
235.08842	0.4
235.12309	1.8
236.13153	1.5
237.10355	0.6
237.13838	4.5
237.15770	0.4
238.14687	2.2
238.97571	0.4
239.12009	0.4
239.15413	1.8
247.12347	0.8
248.13177	0.5
249.10310	1.1
249.13855	2.4
250.14662	0.3
251.11943	0.9
251.15555	0.4
261.14169	0.5
262.14728	0.7
265.09735	0.6
275.15591	0.6
277.09775	0.7
279.11368	0.5
297.04160	0.5
297.12466	0.5
299.05875	0.6
313.27548	0.4
314.16650	0.4
323.10544	0.5
325.03894	0.5
327.05319	0.8
328.14328	0.8
329.10001	0.5
335.25955	0.5
340.14761	0.5
342.16486	0.5
352.14404	0.6
354.16263	0.5
355.08292	1.5
356.13916	0.5
357.09830	1.5
368.17795	0.5
388.16757	0.5
396.17270	0.4
402.19220	0.5
403.19513	0.4
415.19604	0.6
417.16675	0.6
417.21384	0.6
429.17395	1.5
430.18011	0.9
431.18018	2.3
443.18912	1.2
444.19275	2.0
445.20096	4.0
446.21085	0.9
447.21805	1.3
457.16437	0.7
457.20401	0.4
458.21695	0.8
459.21701	8.0
460.22354	3.2
461.23441	1.5
470.18237	0.6
471.18069	1.1
473.24628	1.8
475.25278	0.5
485.19699	0.5
486.20853	0.6
487.19891	0.6
487.25366	1.3
489.19360	0.8
501.23096	1.3
503.20621	0.6
504.22122	0.4
505.22464	1.4
517.22583	1.0
518.23004	0.7
519.23914	12.0
520.24652	1.4
531.22333	0.6
532.24548	1.1
533.25983	0.6
543.37366	0.4
546.22418	0.6
547.23315	1.2
576.39716	0.5
579.25787	0.9
591.26233	1.1
592.26733	0.5
756.25464	0.5
759.26056	0.4
771.25195	0.5
773.26044	0.4
787.27771	1.3
797.26251	0.7
801.29596	0.6
815.29535	0.6
831.27948	0.7
847.29700	1.5
857.31793	0.4
862.31439	0.7
873.30084	0.5
875.32867	4.3
885.31592	1.4
889.34650	0.6
903.32343	9.7
917.33850	9.6
917.48383	0.3
918.33984	0.8
935.34845	100.0
936.35168	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	933.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98099	0.3
65.03914	1.0
67.05497	11.7
69.03419	8.8
69.06693	0.4
69.07059	6.0
69.86004	0.7
69.86414	1.2
71.01324	1.0
71.04979	1.7
71.08614	0.4
73.02523	0.6
73.02908	9.1
74.03780	0.3
75.04424	0.3
77.03918	0.4
79.05482	9.3
81.03407	3.6
81.07047	13.0
83.01324	0.5
83.04977	1.0
83.08611	3.5
85.02895	18.9
85.06514	0.7
86.06094	0.4
87.04452	1.0
91.03365	0.6
91.03941	11.6
91.05469	8.9
91.06036	0.4
93.07030	8.8
95.04951	2.1
95.08003	0.7
95.08591	10.8
95.18200	0.3
97.02879	19.3
97.06519	1.0
97.10163	2.0
99.04450	1.9
99.08051	0.4
101.02350	2.8
105.07018	8.5
105.07720	0.6
107.04946	0.7
107.08575	5.8
109.02843	1.8
109.06504	0.9
109.10139	5.2
111.08056	0.5
112.34603	0.3
115.03925	1.0
115.05439	0.7
116.06209	0.5
117.07008	5.2
119.08557	6.3
121.10118	4.6
123.08042	0.6
123.11691	1.3
125.09612	0.9
127.03912	4.8
128.06207	1.7
129.05489	0.6
129.06993	5.9
130.07809	0.7
131.08556	7.3
133.06465	0.5
133.10106	5.2
135.08041	0.5
135.11678	2.7
137.09531	0.6
137.13295	0.6
139.11209	0.3
141.06969	3.4
142.07780	1.7
143.08542	8.5
144.09291	0.4
145.04956	3.0
145.06029	0.4
145.06522	0.4
145.10110	7.1
147.08035	0.5
147.11671	3.0
149.09549	0.5
149.13225	1.4
151.11188	0.5
153.06999	1.1
154.07806	0.6
155.08522	7.2
156.09293	0.9
157.10107	8.5
159.08081	0.4
159.11656	5.4
161.09567	0.3
161.13208	1.6
163.06024	1.0
163.14738	0.4
165.07036	1.0
166.07808	0.5
167.08545	3.1
168.09311	1.0
169.10100	8.7
169.29912	0.3
170.10829	0.7
171.11670	6.2
172.12341	0.4
173.09552	0.4
173.13213	3.3
175.14771	0.9
179.08565	1.4
180.09303	0.6
181.10107	4.8
182.10846	1.1
183.11674	7.9
184.12337	0.6
185.13235	4.9
187.14775	1.9
189.16389	0.4
191.08472	0.5
192.09268	0.6
193.10095	1.7
194.10864	0.6
195.10005	0.6
195.11652	5.2
196.12314	0.7
197.13223	5.8
199.14821	3.2
201.16397	1.0
205.10182	0.8
207.11652	1.9
208.12494	0.5
209.13226	4.5
211.14795	4.3
213.16409	2.2
215.18039	0.6
219.11716	0.9
221.13283	2.2
222.13907	0.5
223.11186	0.4
223.14798	3.2
225.16344	3.3
227.17921	1.3
231.11745	0.3
231.17583	0.4
233.13220	1.0
235.14825	2.1
237.12665	0.4
237.16324	2.4
239.17979	1.5
241.19594	0.8
245.13203	0.4
247.14851	0.9
249.16362	1.3
251.17982	1.7
253.19542	0.9
259.14926	0.3
259.20703	0.5
261.16306	0.4
263.17905	0.7
265.19470	0.7
267.17435	0.5
271.20483	0.3
276.56934	0.3
277.19391	0.7
279.21091	0.6
281.22595	0.3
283.20364	0.4
291.21194	0.6
293.18866	0.4
293.22607	0.6
299.20355	0.4
305.22247	0.4
307.20450	0.4
307.23917	0.5
309.22150	0.9
311.23593	0.5
313.27356	1.1
319.20493	0.4
321.21893	0.5
323.23685	0.7
325.21658	0.5
325.25244	0.5
327.26929	0.4
335.23471	0.7
337.25314	0.9
349.25293	0.8
351.26843	1.4
353.24503	0.6
361.25095	0.4
363.26993	0.5
365.28455	0.9
369.27890	0.4
379.30136	0.3
381.27771	0.6
391.30023	0.7
415.29367	0.4
426.27591	0.3
447.32419	0.4
461.34021	0.4
499.33334	0.4
499.39801	0.6
501.35608	0.4
513.35834	0.5
515.38245	0.6
517.40295	4.0
525.35846	0.7
527.37335	0.8
529.40057	0.4
533.39191	0.4
535.41571	2.0
539.37274	1.5
540.37891	0.6
541.38904	0.6
555.40887	0.5
567.40802	0.4
569.41565	0.4
573.42993	0.8
581.42249	0.4
591.43994	5.3
607.43597	2.5
609.45038	100.0
610.45325	6.2
611.46747	0.5
619.43329	0.5
621.45190	1.6
623.46246	0.4
625.42340	0.4
633.44855	1.3
651.45630	1.6
661.45050	0.4
663.45764	0.4
675.45862	1.0
687.46466	0.4
693.47278	0.6
699.45941	1.1
717.47205	1.6
735.48486	1.9
753.49323	2.8
771.50262	26.1
772.50403	1.5
783.93854	0.4
933.37518	0.4
933.55615	7.0
934.55896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	5.0
67.05494	77.8
68.05827	1.6
69.03420	7.1
69.07059	27.9
70.06578	2.1
71.04999	5.7
71.33984	2.1
73.02898	1.8
73.06532	2.6
77.42577	1.1
79.05479	100.0
80.05808	1.1
81.03403	19.0
81.07044	87.8
82.07368	1.6
83.04964	20.0
83.08609	14.3
85.02893	9.3
85.06543	5.0
91.03941	3.6
91.05465	84.6
92.05769	1.5
93.07029	98.4
94.07361	1.8
95.04954	28.5
95.08588	45.0
95.10468	0.9
97.02873	6.2
97.06514	17.3
97.10136	10.6
99.04424	1.5
99.08060	1.9
100.10320	1.0
103.05460	1.3
105.04475	1.8
105.07013	66.7
106.07335	0.9
107.04941	13.5
107.08573	44.4
109.02818	2.4
109.06508	11.6
109.10137	13.5
111.04456	2.5
111.08066	5.6
113.06025	1.3
113.09654	1.2
115.05412	2.8
117.06995	21.9
118.94543	0.9
119.08564	42.7
119.09415	2.2
121.06499	7.3
121.10114	17.1
123.08057	7.6
123.11655	3.6
125.09599	5.6
127.03889	3.5
127.07552	1.3
128.06206	5.7
129.06984	19.5
130.07773	1.4
131.04941	0.9
131.08545	19.2
133.06474	2.2
133.09082	1.3
133.10104	27.0
135.08075	3.7
135.11685	12.2
137.06007	1.0
137.09584	3.0
139.07515	1.2
141.06885	1.9
141.09038	1.1
142.07761	1.7
143.08540	13.3
145.04927	1.1
145.06413	1.9
145.10100	25.6
147.08049	4.8
147.11659	43.6
149.09572	10.0
149.13248	6.7
151.11148	2.7
155.08543	2.8
156.09219	1.0
157.10117	3.9
159.11682	10.8
161.09612	6.6
161.13226	12.7
163.11162	8.4
167.08551	1.3
169.10103	3.5
171.11656	25.2
171.13075	1.6
173.04433	1.7
173.13187	4.7
175.11177	2.0
177.12791	3.8
179.14256	2.5
181.10269	1.1
183.11693	3.4
185.13228	1.2
187.11137	1.5
187.14873	1.3
189.11168	2.2
189.12733	9.4
195.11661	1.3
195.13757	3.6
197.13298	1.8
207.13768	21.8
208.14053	1.1
225.14827	2.0
227.12720	8.8
229.14293	1.2
229.19429	2.0
239.17943	2.8
247.13538	1.2
247.20529	1.6
253.14200	1.2
255.15921	3.8
257.18945	8.7
259.29718	1.1
267.15955	2.2
269.17471	9.4
273.18460	1.6
275.20029	29.1
275.23047	1.5
279.15817	1.3
281.17444	60.0
282.17725	2.6
283.15402	1.3
291.19489	1.2
293.21222	2.2
331.22549	2.2
345.09607	1.3
349.23703	16.8
435.27359	5.3
451.26785	4.4
457.29202	1.1
459.30972	2.9
461.29037	19.9
462.28806	1.9
465.83276	1.2
475.30493	86.8
476.30756	5.0
515.33307	2.0
537.35553	4.1
555.36737	58.6
556.36755	5.0
573.38000	7.6
619.34387	4.0
910.52264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.0
67.05154	1.9
67.05495	34.0
69.03389	2.2
69.07053	9.9
70.19511	4.3
71.08621	17.8
73.02891	4.2
79.05473	18.8
81.03395	1.8
81.07047	35.1
83.08607	9.7
85.02898	15.1
85.06528	1.3
85.10167	9.2
89.06006	1.2
91.03948	10.3
91.05469	11.5
93.07031	24.1
95.04950	1.8
95.08597	36.7
97.02876	6.4
97.06470	1.6
97.10146	2.7
98.07191	1.1
105.07035	8.2
107.08573	15.5
109.10141	13.8
111.11682	1.2
111.55770	1.0
112.05086	0.8
112.08708	1.5
117.06995	3.8
119.08574	6.8
121.10136	12.2
123.11698	7.0
127.03874	4.1
131.08542	7.7
133.10107	4.5
135.10751	1.4
135.11670	9.9
137.13213	2.7
145.04919	5.1
145.10109	5.8
147.11659	3.6
149.08218	1.3
149.13208	5.6
159.11676	3.9
161.13243	2.5
163.06003	6.9
163.14836	3.5
173.13200	3.3
177.16420	1.8
178.02647	1.0
187.14830	2.8
210.98470	1.0
215.17828	1.2
239.23656	4.2
243.21017	8.5
257.24567	1.0
261.22098	34.4
262.22330	1.3
279.23083	1.4
302.57785	1.0
313.27328	100.0
314.27759	2.4
317.24606	4.9
335.25751	82.7
336.26035	1.9
382.40308	0.9
413.95477	1.0
428.67944	1.1
573.48688	42.1
574.49304	2.1
591.49792	8.7
628.67615	1.1
706.13959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.4
67.05498	1.2
69.03429	0.7
69.07061	0.5
71.05008	0.2
71.66174	0.4
74.83021	0.2
78.14408	0.2
79.05472	2.8
80.29763	0.2
81.03419	0.4
81.07040	1.6
81.12257	0.2
83.04971	0.4
83.08613	0.6
85.02899	0.3
91.05465	2.9
93.07028	1.0
95.04974	0.6
95.08608	0.8
97.02902	0.6
97.06509	0.3
97.10152	0.5
105.07016	2.5
107.04924	0.4
107.08579	4.7
107.09245	0.4
109.06526	0.5
109.10171	0.9
115.03981	0.2
117.07012	0.5
119.08581	1.4
121.10146	0.6
125.09612	0.5
129.06987	0.3
131.08568	0.6
131.35851	0.2
133.10094	1.1
135.11729	0.4
145.10161	0.6
147.04362	0.3
147.11699	0.9
149.09633	0.2
151.07518	0.4
153.01826	0.8
159.11685	0.3
163.03931	0.8
167.07030	1.1
167.08333	0.2
170.02170	0.2
171.11600	0.2
173.11790	0.2
173.13205	0.3
177.05420	0.6
178.02608	0.3
178.06219	4.2
181.08623	0.2
183.02821	0.3
189.05470	0.2
189.11172	0.6
191.03293	0.2
191.06993	0.3
204.04224	0.3
213.09276	0.2
216.04245	0.6
217.04951	0.3
231.06535	0.4
241.04913	0.4
244.03558	0.5
253.04912	0.2
255.02850	4.4
257.19006	0.4
259.05911	1.0
269.04401	1.6
275.20010	3.4
281.04465	0.5
283.02332	1.0
283.06000	0.8
284.03030	0.4
284.06631	0.4
285.04065	0.3
285.07541	0.7
286.08121	0.2
287.05472	5.0
297.03854	1.5
299.05365	1.3
300.02560	2.3
301.07068	0.5
311.05487	0.7
312.06265	1.4
313.06924	1.4
314.04156	0.3
315.04941	36.8
316.05301	1.4
327.04916	0.5
329.06464	1.0
330.07285	15.9
331.07605	0.7
344.08920	2.0
345.09622	100.0
346.09979	3.4
355.08154	0.3
357.09671	1.3
367.08020	0.6
382.10440	0.4
385.12833	0.3
393.09406	0.3
397.12897	1.4
423.14160	0.3
491.20239	0.7
493.18497	0.3
507.14755	0.6
509.21637	0.4
601.27777	1.2
619.28906	9.8
620.28766	0.7
637.29944	10.5
638.29926	0.7
639.19098	0.5
913.35437	0.2
967.39227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.4
67.05498	1.2
69.03429	0.7
69.07061	0.5
71.05008	0.2
71.66174	0.4
74.83021	0.2
78.14408	0.2
79.05472	2.8
80.29763	0.2
81.03419	0.4
81.07040	1.6
81.12257	0.2
83.04971	0.4
83.08613	0.6
85.02899	0.3
91.05465	2.9
93.07028	1.0
95.04974	0.6
95.08608	0.8
97.02902	0.6
97.06509	0.3
97.10152	0.5
105.07016	2.5
107.04924	0.4
107.08579	4.7
107.09245	0.4
109.06526	0.5
109.10171	0.9
115.03981	0.2
117.07012	0.5
119.08581	1.4
121.10146	0.6
125.09612	0.5
129.06987	0.3
131.08568	0.6
131.35851	0.2
133.10094	1.1
135.11729	0.4
145.10161	0.6
147.04362	0.3
147.11699	0.9
149.09633	0.2
151.07518	0.4
153.01826	0.8
159.11685	0.3
163.03931	0.8
167.07030	1.1
167.08333	0.2
170.02170	0.2
171.11600	0.2
173.11790	0.2
173.13205	0.3
177.05420	0.6
178.02608	0.3
178.06219	4.2
181.08623	0.2
183.02821	0.3
189.05470	0.2
189.11172	0.6
191.03293	0.2
191.06993	0.3
204.04224	0.3
213.09276	0.2
216.04245	0.6
217.04951	0.3
231.06535	0.4
241.04913	0.4
244.03558	0.5
253.04912	0.2
255.02850	4.4
257.19006	0.4
259.05911	1.0
269.04401	1.6
275.20010	3.4
281.04465	0.5
283.02332	1.0
283.06000	0.8
284.03030	0.4
284.06631	0.4
285.04065	0.3
285.07541	0.7
286.08121	0.2
287.05472	5.0
297.03854	1.5
299.05365	1.3
300.02560	2.3
301.07068	0.5
311.05487	0.7
312.06265	1.4
313.06924	1.4
314.04156	0.3
315.04941	36.8
316.05301	1.4
327.04916	0.5
329.06464	1.0
330.07285	15.9
331.07605	0.7
344.08920	2.0
345.09622	100.0
346.09979	3.4
355.08154	0.3
357.09671	1.3
367.08020	0.6
382.10440	0.4
385.12833	0.3
393.09406	0.3
397.12897	1.4
423.14160	0.3
491.20239	0.7
493.18497	0.3
507.14755	0.6
509.21637	0.4
601.27777	1.2
619.28906	9.8
620.28766	0.7
637.29944	10.5
638.29926	0.7
639.19098	0.5
913.35437	0.2
967.39227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71643	0.2
65.03948	0.3
67.05500	2.8
69.03418	1.7
69.07050	2.1
70.06575	0.3
71.01344	22.6
71.04990	0.6
71.62161	0.4
72.01624	0.2
73.02906	0.9
74.09744	0.2
75.04471	7.0
75.04902	0.3
79.05479	2.1
81.03410	1.0
81.07044	5.7
82.10138	0.2
83.08599	1.4
85.02892	30.5
87.04456	0.2
91.03907	0.3
91.05462	2.0
93.07032	4.9
95.04980	0.4
95.08591	10.1
95.09205	0.5
97.02873	2.2
97.06503	0.5
97.10143	0.7
99.04442	1.7
101.02363	47.3
102.02703	0.4
103.03916	0.5
103.05458	0.4
105.07011	6.0
107.08577	7.5
109.02854	0.6
109.06528	0.4
109.09400	0.5
109.10139	7.3
111.08051	0.4
113.02358	0.4
113.09759	0.2
117.07022	0.9
119.08566	8.2
121.10136	5.6
123.04474	0.3
123.08099	0.3
123.11703	2.8
125.09626	0.3
127.03897	11.6
129.06915	0.3
130.07761	0.3
131.03381	0.4
131.08560	2.2
133.10104	6.0
135.11667	4.3
137.05940	0.4
137.13213	1.1
141.01801	0.5
143.08536	0.5
144.09309	0.4
145.04936	100.0
145.10083	4.0
146.05276	1.0
147.04373	0.4
147.11656	4.7
149.13254	2.9
151.14709	0.3
157.10115	1.5
159.11690	4.8
161.13237	4.3
163.07530	0.3
163.14795	1.9
167.07028	0.7
171.11606	1.2
172.12401	0.3
173.13217	3.1
173.51659	0.2
175.14792	4.2
177.05443	0.7
177.16350	2.2
178.06137	0.4
179.14265	0.3
179.17844	0.3
183.11661	0.3
184.12560	0.3
185.13251	0.8
187.14777	2.8
189.16362	6.2
191.14349	0.5
191.17921	6.5
192.18169	0.2
193.15805	1.2
197.13297	0.3
199.14806	1.2
201.16376	2.5
203.17915	3.6
204.18370	0.3
205.04849	0.3
205.15901	0.8
205.19412	1.6
207.17433	0.5
211.14799	0.4
213.16367	1.1
215.17917	4.2
217.15880	0.5
217.19426	1.3
219.17403	1.3
221.18903	0.3
225.16409	0.2
227.17934	1.1
229.19547	1.4
231.17392	0.6
231.21103	0.9
233.18991	2.1
241.19568	0.6
243.21051	1.0
245.18919	0.4
245.22746	0.5
255.02843	0.4
255.21028	0.6
257.22552	0.3
267.21280	0.3
269.04358	0.3
269.22537	0.8
271.20450	0.3
273.22073	0.5
283.24057	0.3
285.22098	0.5
287.05484	0.8
295.24051	0.3
297.25662	1.0
307.10126	1.4
315.04935	3.4
316.05334	0.5
324.57361	0.3
330.07343	1.4
335.08264	0.3
345.09631	7.0
346.09933	0.8
383.20560	1.3
393.35153	0.3
395.37021	0.2
399.15213	0.8
405.35101	4.9
406.35254	0.4
423.36172	10.7
424.36487	0.4
441.36826	0.6
535.12244	0.7
579.10889	0.7
599.30853	0.2
599.39447	1.7
674.15381	0.3
675.16162	0.5
871.19092	0.2
923.19977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05151	1.2
67.05495	17.1
69.03419	14.9
69.06705	0.9
69.07060	15.5
70.06577	1.6
70.26096	1.8
70.26489	2.8
70.96767	0.9
71.01324	2.9
71.04983	51.8
71.08607	1.5
71.25496	0.8
73.02530	1.3
73.02906	14.7
75.04465	6.7
78.91397	1.0
79.05083	1.2
79.05482	12.2
81.03404	8.5
81.07046	50.2
82.07349	1.0
83.04968	24.4
83.08604	10.5
85.02892	100.0
86.06042	1.0
87.04471	2.1
87.51078	1.0
91.05463	10.1
93.07027	23.9
95.01308	4.1
95.04964	6.6
95.08591	77.2
97.02880	41.6
97.06505	10.3
97.10142	7.4
99.04449	3.5
101.05980	0.9
103.03931	2.4
103.05427	1.4
105.07016	19.1
107.04914	1.8
107.08579	40.8
109.02898	1.7
109.06494	3.4
109.10139	41.8
111.04426	24.8
111.08058	3.6
111.11681	2.2
113.02341	2.6
113.05928	1.9
115.03115	1.6
115.03915	25.4
117.05482	1.8
117.06976	3.0
119.08559	29.6
121.06525	1.2
121.10122	38.5
122.10486	1.4
123.04450	1.3
123.11693	26.7
125.09607	1.8
125.13306	1.1
127.03905	1.8
129.05466	36.4
129.06998	3.1
131.08562	9.1
133.04930	3.9
133.10106	22.8
133.10918	0.6
135.04388	1.8
135.08018	1.3
135.11676	27.6
137.05974	1.0
137.09621	1.1
137.13232	25.8
139.03763	1.4
141.01810	26.0
142.07635	0.9
143.08548	2.6
145.02847	2.3
145.04968	1.7
145.06448	0.9
145.10095	15.2
146.08075	1.2
147.04413	1.4
147.06503	18.8
147.10585	1.6
147.11676	18.5
149.09592	2.6
149.13242	29.5
151.04004	1.1
151.14784	3.9
157.04947	3.4
157.10078	7.2
159.02879	10.8
159.11674	16.3
161.05923	1.1
161.13248	22.7
163.03934	1.3
163.05972	3.5
163.14801	15.8
164.09190	4.5
165.07628	1.8
165.12679	1.7
167.10641	1.2
169.04832	1.3
169.10094	1.5
171.06508	3.0
171.11642	3.8
173.13234	14.9
175.11169	2.3
175.14807	16.7
177.04019	1.0
177.05460	3.5
177.12769	2.4
177.16377	17.8
179.14229	1.8
179.17812	1.1
181.04971	1.5
183.02710	1.2
183.11627	2.3
184.07327	3.0
185.13229	3.8
187.14781	9.5
189.16360	14.6
191.03494	1.0
191.14363	4.5
191.16096	1.4
191.17909	25.3
193.12178	6.7
193.15880	3.1
197.13208	1.1
199.05951	1.6
199.07613	1.4
199.14694	4.9
201.16386	8.7
203.14255	4.0
203.17926	12.6
205.15906	5.8
205.19481	21.9
207.13689	1.0
207.17432	3.1
211.07600	1.5
211.13145	1.6
211.14912	1.3
213.05515	1.1
213.07556	1.9
213.16397	5.0
215.17929	10.9
217.07069	3.8
217.15941	4.4
217.19482	11.9
219.04895	1.5
219.17496	11.2
219.21013	8.3
221.15318	7.3
223.07530	1.1
223.16937	7.1
225.07513	15.9
225.16344	1.2
227.17914	4.6
229.05080	1.0
229.19484	2.9
231.02879	1.0
231.08423	1.2
231.17410	7.3
231.21097	2.9
233.18996	11.6
235.16899	3.4
237.18446	2.9
241.19485	1.4
243.08650	9.3
243.21005	2.1
245.18971	5.1
245.22537	4.1
249.18419	3.7
251.19963	1.5
255.04910	2.4
255.20987	3.3
257.04358	1.1
257.22568	2.0
259.20602	1.7
261.09647	4.5
263.20038	3.2
267.15933	6.7
269.22574	1.4
271.20544	1.8
271.23819	1.3
273.05951	4.9
273.21973	2.4
275.20038	1.4
279.10675	22.2
285.16919	3.8
285.22012	2.3
285.25409	1.0
287.07678	6.7
289.21518	2.2
291.06970	2.8
291.23178	2.7
297.25830	1.5
299.23792	1.6
303.23080	1.3
305.08566	9.2
309.08014	3.3
313.28781	1.3
315.04959	4.6
316.05630	1.2
317.24747	1.2
323.09747	3.2
330.07208	2.3
345.09680	11.8
346.10019	2.4
365.31848	1.7
367.15335	1.5
369.13455	1.1
385.16321	1.5
393.35361	2.2
395.36639	2.0
401.10922	1.4
405.35062	11.3
411.35941	1.2
413.15662	1.8
423.36148	63.7
424.36603	2.8
441.37238	77.9
442.37595	3.6
460.27957	3.3
469.18787	1.0
487.19571	3.1
505.20181	1.7
551.40942	1.1
569.41327	1.8
589.30847	0.9
595.28491	1.7
663.52802	1.0
679.30908	2.2
697.31549	3.9
715.32544	3.7
822.58044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05040	0.2
69.03428	0.6
69.55814	2.0
71.04973	0.3
71.18318	0.2
81.03415	1.5
85.02879	0.8
85.21210	0.2
97.02865	0.5
100.11269	0.3
107.04936	0.4
123.04379	0.3
125.05943	0.3
127.03902	0.3
135.04382	0.3
137.02325	11.9
137.05980	0.6
145.02832	0.3
149.05988	0.9
151.03908	0.9
151.07513	0.7
153.05573	0.4
163.03883	0.9
165.01865	0.3
167.07053	1.5
168.07785	0.3
177.05443	1.6
178.06229	1.3
179.03391	0.6
179.07008	0.5
181.08563	0.5
191.03380	0.4
194.09399	0.3
195.06535	1.7
197.06007	0.6
201.05501	0.3
205.04945	2.6
208.03607	0.3
212.04669	0.3
213.05467	0.6
225.05444	0.6
229.04942	0.4
230.39738	0.2
241.05069	0.5
243.06514	1.7
257.04446	0.6
269.04431	0.9
271.02222	0.7
274.51337	0.2
285.07596	0.3
287.07028	0.3
288.07776	0.4
297.04080	0.4
303.06067	0.7
304.05261	0.3
305.04877	0.3
312.06326	0.6
315.06442	0.5
316.07013	0.3
317.04532	0.5
317.08023	1.1
319.06003	0.4
329.04562	0.3
331.06058	0.7
331.09729	0.7
332.06744	0.9
333.07541	0.5
342.05252	0.4
343.05978	0.6
345.03656	0.5
345.09940	0.7
346.04590	0.4
347.05460	0.4
347.09274	0.8
359.05490	0.9
360.06262	1.6
361.07101	0.7
363.04944	0.4
371.05499	0.5
372.06396	0.5
373.03482	0.7
375.04886	0.6
375.08810	2.6
384.06277	0.3
386.08011	0.5
387.04770	2.8
388.05603	1.9
389.06506	0.6
390.10919	2.1
391.04272	0.6
392.05328	0.4
398.04376	0.8
399.05356	0.3
401.02457	0.6
401.06943	0.4
402.07648	0.4
403.04572	0.8
403.08850	0.5
404.09323	0.5
405.06000	0.7
415.04407	10.2
416.04416	1.2
416.09787	0.4
417.05936	2.5
418.10516	4.8
419.11285	0.4
420.04871	1.1
421.09467	2.1
429.06018	0.5
430.06741	1.7
431.07806	2.3
432.08240	2.0
433.09393	2.6
434.09949	0.9
435.11075	0.3
436.07910	0.9
445.09384	13.1
446.09937	7.6
447.10690	3.1
450.09445	19.8
451.09598	1.0
457.09406	0.3
460.07901	0.4
465.11871	1.0
475.10281	2.1
479.07880	0.6
507.07321	0.4
525.08392	0.4
537.11743	0.5
551.09937	0.6
553.07672	0.7
555.12854	0.6
565.11285	0.3
581.07019	2.8
583.12311	1.4
593.10773	0.5
596.09515	0.5
611.11780	14.9
612.12030	0.9
629.12830	100.0
630.13116	7.4
730.30322	0.3
923.68365	0.3
931.31403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	0.3
68.99757	0.3
69.03403	0.2
69.48364	0.9
69.48779	0.4
70.06564	0.2
79.05459	0.2
81.03367	0.3
81.06995	0.2
91.05470	1.2
93.07019	0.2
95.08554	0.2
97.02888	1.0
98.05942	0.2
98.21437	0.3
103.05394	0.2
105.06998	0.2
107.04909	0.4
109.97150	0.1
114.41084	0.1
119.04869	0.3
121.06454	0.2
123.04395	0.7
127.03819	0.1
128.82387	0.2
133.02800	0.2
133.10086	0.2
133.68315	0.1
135.04379	0.3
137.02237	0.2
137.05925	0.3
139.00208	0.2
139.07463	0.3
145.02760	0.2
147.04407	0.8
148.05170	0.2
149.02275	0.3
149.05930	0.7
150.03078	0.2
151.07497	0.5
153.01823	1.7
153.05455	0.3
161.02356	0.2
161.05919	0.5
162.06657	0.2
163.03894	1.6
164.04535	0.2
167.07007	1.7
170.02109	0.2
175.03859	0.4
175.07375	0.1
177.05489	1.2
178.02675	0.8
178.04704	0.3
178.06223	5.5
179.03311	0.5
179.06972	0.7
183.02885	0.2
187.03902	0.2
189.01854	0.2
189.05469	0.2
191.03363	0.4
191.06960	1.0
192.07730	0.2
193.04869	0.3
194.09277	0.2
195.06444	0.3
199.03844	0.2
203.03302	0.3
204.04103	0.3
205.04938	1.4
213.05493	0.3
215.06990	0.2
216.04135	1.2
217.04935	0.8
219.06606	0.2
225.05461	0.3
227.03316	0.4
227.06755	0.2
228.04222	0.3
229.04999	0.3
231.02835	0.4
231.06447	1.2
234.47284	0.1
239.03415	0.3
241.04930	1.1
243.06451	0.8
244.03671	1.3
245.04367	0.2
251.03328	0.2
253.04927	0.3
255.02850	8.0
256.03467	0.4
257.04346	0.2
259.02332	0.3
259.05951	2.2
267.02936	0.2
268.03522	0.2
269.04358	2.7
271.02411	0.2
271.05966	0.4
272.03058	0.5
273.03958	0.3
273.07611	0.2
274.04727	0.3
279.02545	0.2
281.04327	0.7
283.02319	2.2
283.05902	0.9
284.03055	0.7
284.06705	0.5
285.03873	0.5
285.07401	0.4
286.04568	0.3
287.05453	8.8
288.05814	0.3
295.06042	0.1
297.03909	2.6
298.04633	0.6
299.05420	1.9
300.02615	3.1
301.03799	0.2
301.06870	0.9
309.03897	0.3
311.02008	0.3
311.05573	0.6
312.06174	1.6
313.03418	0.5
313.07053	1.5
314.04135	0.3
314.07681	0.3
315.04944	47.3
316.05508	1.7
321.03809	0.2
321.07455	0.2
327.05774	0.2
329.06525	2.3
330.07297	20.1
331.08063	2.3
339.04959	0.2
344.08890	1.4
345.09631	100.0
346.09995	2.8
347.05313	0.2
353.02853	0.2
355.05536	0.2
358.04843	0.3
359.07626	0.3
371.05624	0.3
373.07272	0.2
386.04010	0.2
387.04974	0.2
389.06656	0.3
399.04944	0.2
401.06409	0.6
403.04108	0.3
411.04977	0.2
417.05853	0.2
418.06653	0.2
420.04468	0.2
427.04434	0.4
429.06094	1.2
430.07635	0.2
431.04044	0.2
435.07162	0.2
439.04291	0.4
443.07614	0.2
445.05069	0.3
450.09415	2.3
451.05951	0.2
455.03256	0.2
457.05368	1.8
459.10751	0.3
461.08868	0.2
466.08835	0.9
471.07257	0.3
472.07562	0.3
473.04391	0.3
475.10568	0.3
483.03174	0.7
487.10208	2.7
489.08084	0.4
499.06644	0.2
501.04166	1.1
503.09885	0.4
505.11444	0.3
511.02957	0.4
513.08435	0.7
516.07074	0.7
519.12946	6.0
521.10657	0.2
529.04468	0.3
531.09167	1.1
537.14056	1.1
541.07410	0.4
549.10321	1.9
559.08533	1.3
577.09680	20.8
578.10034	1.1
615.14996	0.6
633.15991	1.6
651.16718	0.7
687.16858	1.3
813.21991	0.5
859.18787	0.3
875.17847	0.5
885.17395	0.2
903.17554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05465	0.2
68.99782	0.2
69.61170	0.7
69.61589	0.3
86.38709	0.1
89.74605	0.1
91.05389	0.1
93.06989	0.1
95.04878	0.2
97.06454	0.2
98.21481	0.1
105.07000	0.1
107.04889	0.4
111.04429	0.1
121.06441	0.1
123.04362	0.4
125.05932	0.2
135.04347	0.2
137.02296	0.3
137.05914	0.3
139.03836	0.1
139.07462	0.1
145.06473	0.1
146.72552	0.1
147.04335	0.6
149.02293	0.1
149.05882	0.3
150.68539	0.1
151.07463	0.3
153.01768	1.2
161.02267	0.2
161.05878	0.3
163.03857	1.3
167.03333	0.1
167.07011	0.9
168.53658	0.1
170.02071	0.4
175.03758	0.3
176.04710	0.2
177.05438	0.7
178.02547	0.4
178.06219	3.9
179.03293	0.3
179.06926	0.4
181.08479	0.4
189.05338	0.2
191.03258	0.3
191.07042	0.6
193.08589	0.2
194.09395	0.3
195.06442	0.4
203.03378	0.2
204.04027	0.3
205.04895	0.9
205.08376	0.1
213.05363	0.2
216.04059	0.8
217.04831	0.6
227.03363	0.4
228.04120	0.2
231.02876	0.3
231.06485	0.8
237.05482	0.1
241.04929	0.9
243.06456	0.6
244.03635	0.8
245.04391	0.3
253.04845	0.2
255.02841	7.2
256.03345	0.4
257.04425	0.2
259.06009	1.7
269.04395	2.0
270.04953	0.3
271.02686	0.1
271.05936	0.4
272.03113	0.5
281.04376	0.5
283.02338	1.7
283.05969	0.8
284.03061	0.6
284.06723	0.5
285.03836	0.3
287.05444	6.8
288.05655	0.2
289.10663	0.2
294.33994	0.2
297.03894	2.0
298.04614	0.4
299.05466	1.1
300.02591	2.6
300.05835	0.3
301.03568	0.2
301.06812	0.6
309.03766	0.2
311.02264	0.2
311.05484	0.6
312.06305	1.4
313.03589	0.2
313.06961	1.0
314.07721	0.2
315.04935	40.2
316.05188	1.3
325.03583	0.2
325.07153	0.2
329.06653	0.9
330.07275	17.4
331.07602	0.6
344.09027	0.8
345.09625	100.0
346.09967	3.1
399.04874	0.2
401.06473	0.5
427.04230	0.3
429.05841	0.6
431.04044	0.3
439.04544	0.3
441.05777	0.2
444.08215	0.1
445.05173	0.3
451.10352	0.1
455.03909	0.4
457.05386	1.6
459.11002	0.2
461.08701	0.2
466.08954	0.6
470.05914	0.2
471.06631	0.3
472.07785	0.4
473.04623	0.2
475.10376	0.2
483.03391	0.9
485.04248	0.2
487.10226	2.7
488.10172	0.2
489.08054	0.2
499.06329	0.2
501.04041	0.8
503.09448	0.6
511.02719	0.3
513.08112	0.7
515.10004	0.3
516.06598	0.7
519.08942	0.2
531.09369	1.1
541.07306	0.2
549.10162	1.5
559.08630	1.5
560.09143	0.6
577.09686	24.7
578.10236	1.8
686.16187	0.4
687.16821	0.7
856.45361	0.1
857.16241	0.2
859.18304	0.3
875.17529	0.3
885.16583	0.2
899.04565	0.2
903.17303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.4
67.05494	51.4
69.03430	2.5
69.07060	8.8
71.04980	18.7
71.59146	1.1
73.02892	2.5
79.05045	1.5
79.05481	27.4
81.03394	2.3
81.07043	69.8
83.04955	4.3
83.08602	9.0
85.02903	9.7
85.06519	6.9
91.03947	5.9
91.04936	1.7
91.05465	24.7
93.07028	34.5
94.33652	1.0
95.04932	3.7
95.08591	24.7
96.04473	0.9
97.02888	5.6
97.06522	5.0
97.10141	3.3
97.57367	0.9
99.04470	1.0
99.08066	1.2
105.07021	12.7
107.08581	20.3
109.06527	2.0
109.10136	11.0
111.08028	1.4
111.39447	0.9
117.06989	4.9
119.08580	8.9
121.06467	0.9
121.10125	13.3
123.11690	12.9
125.09612	1.8
127.03889	2.7
131.08527	8.4
133.10110	15.5
135.11670	9.8
137.09644	1.2
143.08438	1.1
145.04909	3.2
145.10083	5.7
147.11716	5.8
147.12712	1.2
149.13237	5.6
151.11166	5.2
153.12677	2.2
159.11661	8.3
161.13214	2.9
163.05978	2.2
163.14807	1.4
171.11635	1.2
173.13194	3.2
177.12637	2.6
179.14204	1.7
183.13760	3.2
185.13252	1.6
187.13252	4.1
187.14828	2.0
195.13773	1.9
201.14780	1.8
227.16316	3.1
253.18175	1.3
257.17499	2.3
259.20667	1.4
261.21973	1.8
269.17459	6.4
301.20047	21.9
328.84494	1.0
335.25729	20.4
393.31467	1.4
411.32184	1.8
437.34064	2.6
445.24323	1.4
455.34937	1.3
485.36069	3.9
503.37219	91.0
504.37766	5.7
511.37433	3.8
517.38879	4.0
529.38782	30.2
530.38446	1.4
561.41406	100.0
562.41949	6.5
705.45245	1.4
920.49469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.52
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.7
67.02264	1.0
67.05495	62.8
69.03410	3.1
69.07056	16.5
70.06554	1.7
71.01328	3.1
71.04978	4.4
73.02896	4.8
74.37705	1.0
79.05484	51.0
81.03407	19.0
81.07045	60.4
83.01329	2.8
83.04969	15.6
83.08611	13.5
85.02890	16.9
85.06541	2.7
91.03950	10.1
91.04926	2.1
91.05469	30.0
93.07030	60.2
95.04954	13.0
95.08593	48.5
96.04486	1.1
96.08922	1.2
97.02872	14.9
97.06510	9.0
97.10148	4.8
99.04442	3.5
99.08054	2.4
101.02418	1.2
101.42294	1.0
103.05449	1.1
105.07008	22.3
107.04939	14.8
107.08582	36.1
109.02861	2.7
109.06491	5.5
109.10139	22.9
110.10517	1.2
111.04423	12.0
111.08061	5.7
111.11729	1.2
112.94553	0.9
115.05423	1.1
117.07005	14.3
119.08563	22.8
121.06491	4.3
121.10116	28.4
123.04387	1.6
123.08056	6.4
123.11704	5.0
125.05959	2.7
125.09611	4.4
127.03877	3.4
128.06172	1.2
129.06949	3.7
130.07788	1.9
131.08554	16.1
133.10123	10.8
135.04439	1.3
135.08029	3.9
135.11674	28.8
137.09601	3.0
137.13165	1.2
139.11150	1.5
143.08521	2.3
145.04913	3.3
145.06480	2.1
145.10101	25.1
147.08018	4.0
147.11667	9.0
149.09554	3.1
149.13254	6.6
153.12714	13.3
155.08513	2.6
157.10078	3.0
157.92329	1.2
159.11688	7.3
161.13242	4.9
161.55028	1.0
163.05981	3.0
163.11168	31.6
163.14850	2.5
169.10158	1.3
171.11707	2.0
173.09613	6.7
173.11882	1.3
173.13222	5.7
175.14720	2.6
181.12225	8.5
181.53506	1.1
185.13132	1.8
187.14812	1.8
189.11263	1.4
191.10629	9.8
193.12225	1.6
199.14726	1.2
209.11711	18.3
211.14981	1.1
227.12756	17.5
231.79636	1.2
241.19411	1.2
243.21060	3.8
259.20425	1.6
261.22058	13.9
265.14365	4.8
267.15997	2.0
277.21732	1.7
283.15369	30.4
299.23624	1.3
301.16418	55.7
317.24713	2.7
333.24219	1.8
335.25754	82.5
336.26074	4.6
423.24619	1.2
433.30856	2.7
451.32132	5.7
469.33047	4.8
487.34439	1.8
525.35736	12.8
543.36761	63.8
544.36951	3.6
551.19897	1.3
561.37787	100.0
562.37958	5.5
579.38898	1.8
604.80347	1.1
705.41779	2.2
749.85052	1.2
920.54260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.9
66.68571	0.7
67.05495	43.7
69.03421	2.0
69.07064	6.0
69.30962	3.5
69.31397	4.5
71.04623	1.4
71.04983	15.2
73.02910	2.2
77.19155	0.7
79.05035	1.4
79.05485	22.8
80.05809	0.7
81.03400	2.3
81.07047	63.1
82.07330	0.7
83.04967	3.8
83.08613	4.9
85.02880	7.5
85.06545	6.3
91.03958	4.7
91.05470	18.0
93.07032	26.5
93.99065	0.8
95.04952	2.0
95.08596	20.5
97.02880	4.3
97.06516	3.0
97.10148	2.1
99.04443	0.8
99.08083	1.4
105.07021	10.0
107.08580	15.5
109.06500	1.7
109.10144	8.7
110.42896	0.7
111.08074	1.0
117.06991	3.0
119.08565	5.8
121.10126	10.2
123.08118	0.9
123.11703	10.0
125.09621	0.8
127.03936	2.0
131.08566	5.8
133.10112	14.1
135.11687	7.4
139.11128	0.9
142.61607	0.6
143.08607	0.7
145.04956	1.8
145.10118	3.1
147.11690	3.7
149.13219	3.8
151.11169	4.4
159.11703	4.0
161.13278	1.8
163.05994	1.9
163.14766	1.2
169.12283	1.1
173.13220	1.7
177.12723	1.6
183.13765	2.5
184.43297	0.8
187.13321	2.6
187.14842	1.0
195.13820	1.2
227.16409	1.3
243.20927	0.8
257.17514	1.7
259.20587	0.9
261.22128	2.8
269.17441	4.8
275.51416	0.7
301.20010	10.1
307.66797	0.8
335.25784	22.1
372.18927	0.8
432.45428	0.8
437.34457	0.9
485.36319	2.4
503.37259	74.2
504.37244	3.8
517.38934	2.6
529.38873	14.2
530.39520	0.8
561.41431	100.0
562.41791	7.3
647.41321	0.9
705.45319	1.8
755.90204	0.8
920.51099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.8
67.05494	53.4
68.37795	1.3
69.03407	3.8
69.07060	11.6
71.01328	1.3
71.04984	3.9
71.08253	1.7
71.08621	21.4
71.61701	1.4
73.02888	3.1
76.07777	1.0
79.05087	1.5
79.05486	17.5
81.03410	5.4
81.07042	27.1
83.04966	4.5
83.08610	20.1
85.02889	20.6
85.06511	2.2
85.10168	12.1
86.23820	1.1
87.04462	6.6
89.06035	1.4
91.03957	5.3
91.05466	10.1
93.07019	8.7
95.04950	3.3
95.08015	1.7
95.08595	26.8
97.02869	5.2
97.06503	2.0
97.10150	22.5
99.04428	1.6
103.03922	2.3
105.07005	4.3
107.04947	2.4
107.08567	11.4
109.06487	1.8
109.10140	38.1
111.04436	1.7
111.08055	1.9
117.06972	1.8
119.08565	4.3
121.10110	4.0
123.11675	4.1
125.09619	16.1
127.03895	2.5
129.06931	1.8
129.07829	1.1
131.08592	2.5
133.10089	1.9
135.11673	2.5
137.09566	1.8
137.13257	1.1
143.10638	4.4
145.04921	2.2
145.10121	2.5
149.09575	1.3
153.12708	2.7
155.10643	2.4
159.11557	1.3
163.05991	1.2
163.11162	3.6
170.57623	1.0
173.09514	1.5
173.11722	10.4
189.11166	1.4
191.10643	2.8
193.12300	1.6
199.13254	10.6
205.35872	1.1
209.11644	2.5
214.93192	1.1
223.13330	1.9
227.12685	7.9
229.14322	47.5
230.14792	2.0
239.23706	3.4
257.24805	1.6
267.15781	2.3
283.15378	4.0
297.16803	3.7
301.16418	26.9
313.27316	100.0
314.27545	4.2
319.17270	1.1
335.25677	6.9
341.27057	1.2
400.34177	1.0
437.36008	4.9
455.37326	14.2
463.21432	1.3
466.19141	0.9
467.37256	30.4
468.37479	2.2
489.35547	2.3
505.39478	1.2
521.38477	2.1
539.39355	17.0
557.39307	7.7
591.43024	1.1
599.05994	1.2
742.12396	1.2
786.55969	1.2
934.52753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2488
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03931	0.3
67.05504	0.2
68.99783	0.5
69.03422	3.3
69.54286	0.4
69.54693	1.0
69.90225	0.1
71.01339	0.2
71.04981	5.6
73.02890	0.4
75.04465	0.3
75.31316	0.2
81.03405	1.3
83.04980	1.4
84.34766	0.2
85.02890	15.4
87.04453	1.2
89.03899	2.7
91.05462	0.3
93.03390	0.2
93.16473	0.1
95.04954	0.4
97.02876	5.1
99.04453	0.7
101.02355	0.2
103.05450	0.2
105.03423	0.2
109.02857	1.4
109.06469	0.2
111.00837	0.7
111.04443	1.1
113.05989	0.2
115.03905	1.5
117.03355	8.7
119.04930	0.3
121.02824	0.7
123.04425	0.5
127.03891	1.7
129.05452	1.8
129.06937	0.2
131.04872	0.3
133.04927	0.6
134.03601	0.7
135.04376	1.0
137.02319	2.8
137.05936	0.4
139.03874	0.3
145.02821	24.9
145.04883	1.0
146.03160	0.3
147.04375	0.4
147.06499	0.6
149.02319	0.6
149.04659	0.3
149.05951	3.5
151.03864	0.2
153.01796	2.9
155.97346	0.2
157.06532	0.2
158.06073	0.2
161.05975	0.3
163.02705	0.2
163.03871	1.0
165.01819	1.8
165.05516	0.2
166.02547	0.2
167.03374	0.5
171.06514	0.4
173.05946	0.3
177.05438	54.1
178.05806	1.1
179.06970	0.2
183.02866	0.8
183.04332	0.3
186.05469	0.6
187.03873	0.3
189.05507	0.2
190.56750	0.2
191.07077	0.2
195.02817	0.2
195.06488	2.4
201.05440	1.5
205.05032	0.3
207.06555	0.4
213.05577	0.2
215.06908	0.1
219.06528	0.4
220.91963	0.1
225.07501	0.4
228.04074	0.2
229.04926	3.7
243.08481	0.2
247.05920	0.8
257.04431	2.6
261.07306	0.2
261.09695	0.6
274.04727	0.7
275.05295	0.2
285.03851	1.5
291.08679	0.4
299.05182	0.2
301.06848	0.2
303.04941	100.0
304.05289	2.8
305.10098	0.4
309.09775	0.2
315.04712	0.7
321.09653	0.7
323.11270	0.7
331.04581	0.2
339.10660	3.9
345.05865	0.5
345.09735	0.5
381.06036	0.3
410.81372	0.2
411.06308	0.2
435.09140	0.6
485.16467	0.4
491.61734	0.2
592.68658	0.2
617.20599	0.2
623.13763	0.4
641.14648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.8
67.05494	53.4
68.37795	1.3
69.03407	3.8
69.07060	11.6
71.01328	1.3
71.04984	3.9
71.08253	1.7
71.08621	21.4
71.61701	1.4
73.02888	3.1
76.07777	1.0
79.05087	1.5
79.05486	17.5
81.03410	5.4
81.07042	27.1
83.04966	4.5
83.08610	20.1
85.02889	20.6
85.06511	2.2
85.10168	12.1
86.23820	1.1
87.04462	6.6
89.06035	1.4
91.03957	5.3
91.05466	10.1
93.07019	8.7
95.04950	3.3
95.08015	1.7
95.08595	26.8
97.02869	5.2
97.06503	2.0
97.10150	22.5
99.04428	1.6
103.03922	2.3
105.07005	4.3
107.04947	2.4
107.08567	11.4
109.06487	1.8
109.10140	38.1
111.04436	1.7
111.08055	1.9
117.06972	1.8
119.08565	4.3
121.10110	4.0
123.11675	4.1
125.09619	16.1
127.03895	2.5
129.06931	1.8
129.07829	1.1
131.08592	2.5
133.10089	1.9
135.11673	2.5
137.09566	1.8
137.13257	1.1
143.10638	4.4
145.04921	2.2
145.10121	2.5
149.09575	1.3
153.12708	2.7
155.10643	2.4
159.11557	1.3
163.05991	1.2
163.11162	3.6
170.57623	1.0
173.09514	1.5
173.11722	10.4
189.11166	1.4
191.10643	2.8
193.12300	1.6
199.13254	10.6
205.35872	1.1
209.11644	2.5
214.93192	1.1
223.13330	1.9
227.12685	7.9
229.14322	47.5
230.14792	2.0
239.23706	3.4
257.24805	1.6
267.15781	2.3
283.15378	4.0
297.16803	3.7
301.16418	26.9
313.27316	100.0
314.27545	4.2
319.17270	1.1
335.25677	6.9
341.27057	1.2
400.34177	1.0
437.36008	4.9
455.37326	14.2
463.21432	1.3
466.19141	0.9
467.37256	30.4
468.37479	2.2
489.35547	2.3
505.39478	1.2
521.38477	2.1
539.39355	17.0
557.39307	7.7
591.43024	1.1
599.05994	1.2
742.12396	1.2
786.55969	1.2
934.52753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	0.5
67.05495	11.7
69.03384	1.6
69.07062	5.4
69.45557	3.8
71.04932	1.2
71.08620	18.8
73.02878	1.1
75.00282	0.4
79.05489	6.9
81.03406	51.6
81.07046	12.9
83.04967	2.5
83.08607	17.5
85.02902	4.8
85.06511	1.0
85.10171	10.1
89.05989	1.3
91.03939	3.2
91.05470	9.2
93.06521	0.4
93.07032	5.5
95.04954	15.8
95.08591	16.1
97.02875	3.8
97.06505	1.0
97.10167	4.0
103.07568	0.7
105.07017	6.6
107.04958	3.8
107.08552	2.1
109.06479	1.6
109.10141	7.7
111.04423	0.8
111.08073	4.2
111.11665	0.6
115.03888	0.4
115.05424	0.6
117.06964	0.9
119.04940	0.6
119.08561	6.5
121.06464	1.6
121.10114	3.2
121.67813	0.4
123.04372	1.5
123.08035	1.2
123.11728	2.7
125.09550	0.8
127.03883	1.2
129.06975	4.9
131.08554	5.4
133.06497	2.1
133.10078	2.8
135.08011	0.5
135.11630	0.9
137.09515	0.5
137.13220	1.0
142.07756	1.3
145.04938	1.2
145.10046	0.8
147.04314	0.7
147.07988	1.8
147.11655	5.4
149.05968	0.6
149.09642	3.7
151.14801	0.4
157.10117	6.5
159.11583	0.5
163.06036	2.8
163.11124	1.7
165.12709	1.2
175.11153	6.6
185.13206	0.6
193.12206	22.1
194.12466	0.6
205.12140	0.6
211.13216	1.4
235.13171	2.0
239.23724	1.8
249.14845	2.0
257.24701	2.6
259.13239	1.6
261.47363	0.5
267.15872	100.0
268.16226	2.5
273.14795	1.0
277.02795	0.4
283.13336	0.6
301.14313	1.7
309.16837	2.7
313.27316	97.2
314.27737	3.0
319.15552	1.0
331.28400	0.4
333.16815	0.7
429.21173	0.5
431.35040	0.6
505.38815	83.7
506.39053	4.0
523.39801	1.9
539.28625	0.4
547.40082	6.0
555.41296	0.5
565.41107	0.5
589.40863	0.8
601.40857	2.5
613.40912	1.9
631.41846	1.9
649.42798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.7
67.05492	11.2
69.03419	12.4
69.07053	11.8
69.55587	3.0
69.56017	1.3
70.12156	0.4
71.01343	2.5
71.04980	42.1
71.08620	1.2
72.05337	0.9
73.02480	0.5
73.02903	13.8
75.04473	4.7
79.05479	6.3
81.03396	1.6
81.07042	34.1
83.04964	16.6
83.08604	7.7
85.02889	78.4
85.06531	1.0
85.88874	0.5
86.03217	1.0
86.06063	0.5
87.04465	2.4
91.05453	5.1
91.70428	0.4
93.07029	18.2
95.01317	3.1
95.04948	2.2
95.08589	57.6
96.08921	1.1
97.02873	29.9
97.06526	0.7
97.10150	4.0
99.00794	1.0
99.04430	2.4
99.08051	1.0
101.02362	0.6
101.06026	1.0
103.03923	2.0
105.07006	10.7
107.04959	0.7
107.08575	28.6
109.02856	0.9
109.06510	1.2
109.10139	35.8
110.10493	0.6
111.04424	22.1
111.08080	0.8
111.11727	1.3
113.02365	2.2
113.06026	1.0
115.03913	20.6
117.05441	1.2
117.07023	0.7
119.08555	16.6
119.09414	0.8
121.10122	28.5
122.10404	0.6
123.04478	0.6
123.11683	19.4
125.09594	1.2
125.13230	0.9
127.03928	1.5
129.05457	31.5
131.08551	5.8
133.04965	4.3
133.10100	14.8
135.04399	0.9
135.11671	21.6
137.02362	0.6
137.09645	0.8
137.13226	21.1
139.03865	1.9
139.11185	1.8
141.01804	21.3
142.02182	0.6
143.03345	0.6
143.08554	0.6
145.04929	1.1
145.10101	7.0
146.08093	0.9
147.05336	1.1
147.06499	19.5
147.11665	10.4
149.04515	0.5
149.13232	22.3
150.13530	0.6
151.11148	0.7
151.14832	2.2
153.05464	0.7
155.03307	0.5
157.04898	2.6
157.10115	1.6
159.02873	11.4
159.04176	0.7
159.11665	9.4
161.13219	13.2
163.06020	2.8
163.11165	1.4
163.14798	11.2
164.09134	3.4
165.01892	0.6
165.05542	0.6
165.07574	2.1
165.12776	1.6
167.14268	0.8
169.04988	1.2
171.06490	2.2
171.11676	1.4
173.04404	0.7
173.13252	6.7
175.14789	13.4
177.03923	1.2
177.05396	0.7
177.16357	23.6
178.16658	0.6
179.03676	0.5
179.07013	0.7
179.14310	0.7
179.17938	2.1
183.06552	0.5
185.13290	0.9
187.14792	6.3
189.16345	11.2
191.17909	18.2
193.15846	0.8
193.19411	1.1
199.05991	1.5
199.14813	1.4
201.07541	0.6
201.16367	8.5
203.17914	16.7
205.15849	1.8
205.19478	22.4
206.19769	0.6
207.17377	2.7
213.07466	0.6
213.16414	1.4
215.17920	13.8
216.18417	0.5
217.07072	2.9
217.19479	15.3
219.05011	1.2
219.17409	5.6
219.20967	3.4
221.18948	3.6
225.07544	16.2
225.09752	0.9
227.05513	0.6
227.17978	1.9
229.19473	14.1
230.19936	0.7
231.08667	1.0
231.21016	3.1
233.18977	12.1
235.20595	1.3
241.07188	0.8
241.19441	2.0
243.08617	10.6
243.21005	2.9
245.19009	1.0
245.22600	2.6
247.20508	6.3
255.04948	2.2
255.21046	3.0
257.22607	5.1
259.20551	1.4
261.09760	3.3
261.22116	1.5
269.06549	3.2
269.22607	3.6
271.24234	1.7
273.05948	4.7
273.22165	1.6
275.23666	5.9
279.10699	21.0
283.24207	1.8
285.25620	0.9
287.07599	5.6
287.23798	2.5
291.06979	2.7
297.25754	1.5
301.25140	2.5
305.08643	10.9
309.08078	4.0
313.28915	1.5
323.09592	4.1
341.10776	0.6
353.32129	3.0
401.10681	1.3
407.36639	34.4
408.37003	2.4
425.37711	100.0
426.37979	5.9
684.68402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.6
67.05498	9.1
69.03423	13.1
69.07060	7.4
69.53825	4.0
70.06569	1.1
71.01339	3.6
71.04984	42.2
71.95307	0.5
73.02909	12.7
74.55228	0.5
75.04467	3.9
75.66090	0.5
79.05478	6.6
81.03410	1.7
81.07044	30.2
83.04453	0.6
83.04966	23.1
83.08595	4.8
85.02892	83.8
86.03226	0.6
86.09688	0.5
87.04456	2.4
91.05462	4.9
93.07038	13.0
95.01309	5.1
95.04983	2.8
95.08593	48.9
96.08921	0.5
97.02878	30.0
97.06512	4.1
97.10161	2.4
98.21490	0.6
99.00816	0.9
99.04430	2.7
99.08064	0.8
101.06001	1.0
103.03935	1.9
105.07008	8.2
107.04944	0.9
107.08582	18.0
109.02869	1.6
109.06516	1.6
109.10146	18.7
110.10419	0.8
111.04431	20.1
111.08075	1.7
111.11688	0.8
113.02380	3.0
113.05989	0.9
115.03912	17.2
117.05470	1.6
117.07004	1.5
119.07735	1.2
119.08561	16.5
121.02943	0.5
121.10127	19.0
123.00771	0.6
123.04429	0.9
123.11691	9.5
125.02419	0.9
125.05901	0.6
125.09620	2.2
125.13285	0.6
127.03914	1.9
129.05460	29.5
129.07010	1.8
131.03470	0.7
131.08565	5.4
133.04922	3.5
133.10109	11.3
135.04417	0.7
135.11681	10.6
137.05841	0.5
137.09656	0.9
137.13232	25.0
139.03891	1.7
139.11154	8.7
141.01810	20.3
142.07802	0.9
143.03348	0.8
143.08545	2.1
145.04921	0.8
145.10112	6.9
146.08134	1.0
147.04541	0.6
147.05353	0.8
147.06502	15.5
147.07649	1.0
147.11658	8.3
149.09644	0.6
149.13231	15.0
151.11169	1.4
151.14783	2.0
153.05417	0.7
155.08495	0.7
157.04967	3.5
157.10118	4.3
159.02867	8.3
159.04053	0.9
159.11671	10.4
161.13229	10.3
163.05988	2.3
163.11182	2.2
163.14798	3.8
164.09160	3.0
165.05479	0.7
165.07559	2.0
165.12711	1.5
169.04970	1.3
169.10123	1.5
171.06567	2.2
171.11708	3.5
173.13240	6.7
175.14810	8.2
177.04044	1.2
177.12833	1.1
177.16357	15.1
179.17940	1.6
181.04877	1.0
183.11702	1.3
185.11693	0.6
185.13219	3.6
187.06042	0.8
187.14806	5.8
188.09229	0.5
189.12721	0.6
189.16319	5.2
191.14317	2.9
191.17926	8.8
193.15805	1.1
199.14771	3.1
201.16380	6.3
203.14151	0.8
203.17941	6.7
205.15993	2.7
205.19443	3.0
207.06573	0.6
207.17314	1.1
211.14903	1.2
213.16377	3.5
215.17931	9.9
217.07043	2.4
217.15883	2.3
217.19508	2.7
219.05045	1.4
219.17407	9.7
219.21030	1.6
225.07533	14.1
225.16423	1.1
227.17932	6.8
229.19519	2.3
231.08669	0.8
231.17416	1.8
231.21019	2.2
233.18903	1.6
239.17966	1.5
241.19545	1.4
243.08611	8.4
243.17389	1.0
243.21051	1.1
245.18976	12.3
245.22755	1.3
253.19569	1.1
255.04941	2.0
255.21021	2.4
257.18994	2.3
257.22684	1.1
259.20538	2.1
261.09616	3.3
267.20868	1.0
268.07355	0.5
269.06528	2.2
269.22580	1.4
271.20538	3.3
271.23944	1.2
273.06036	3.8
273.22040	6.4
279.10684	13.5
281.22681	1.2
285.22110	3.0
285.25208	0.9
287.07544	4.8
287.23730	1.0
291.07129	1.6
299.23773	2.8
301.25327	0.7
305.08658	7.7
305.12012	1.0
309.08105	2.4
323.09662	3.4
327.26837	0.7
365.31976	0.8
381.31827	1.0
405.35071	10.6
423.36154	100.0
424.36362	4.5
441.37247	11.2
460.28165	2.7
505.20663	1.3
743.30994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	19.7
69.03410	4.3
69.07060	9.9
69.31331	9.7
69.31733	3.5
71.04972	3.5
71.08622	18.8
73.02901	2.9
79.05484	17.7
80.21857	1.2
81.02952	2.5
81.03407	41.9
81.07043	25.0
83.04981	10.2
83.08612	17.8
85.02905	26.5
85.06537	1.3
85.10173	11.3
87.23775	1.2
89.06063	1.2
91.03932	5.7
91.05475	20.1
93.07025	12.2
95.04955	18.7
95.08594	18.2
97.02879	8.0
97.06493	3.2
97.10154	7.0
98.21450	2.8
105.07023	15.5
107.04970	6.1
107.08575	5.0
109.06483	3.6
109.10137	5.9
111.04408	2.0
111.08069	6.7
113.05997	1.4
117.07007	1.6
119.08575	12.2
121.10123	5.3
123.08030	2.1
123.11670	3.6
127.03887	3.0
129.06984	8.2
131.08557	8.2
133.06479	2.4
133.10138	8.0
142.07784	2.5
145.04961	2.2
147.08032	2.7
147.11661	9.6
149.09583	3.7
157.10129	10.8
160.88426	1.7
163.06018	1.9
165.12764	2.8
175.11165	11.3
179.46967	1.3
193.12209	29.6
195.99246	1.3
211.13278	42.7
238.98717	1.3
257.35687	1.3
267.15878	16.2
267.26987	1.7
285.16946	64.2
285.20139	3.1
286.17218	1.9
286.66101	1.4
341.30450	55.8
342.30661	2.9
533.41876	11.7
551.43024	100.0
552.43250	7.5
554.79132	1.4
587.60614	1.3
598.20990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.7
67.05496	43.6
69.03441	1.4
69.07056	14.1
69.38706	2.5
69.39105	10.4
71.04975	3.9
71.08608	1.1
73.02888	3.5
79.05479	24.9
80.96928	1.0
81.03397	3.0
81.07045	81.4
83.04972	5.1
83.08623	8.8
83.30652	1.2
85.02888	11.0
85.06530	4.4
91.03944	7.6
91.05468	24.3
93.07027	32.1
95.04960	4.2
95.08592	35.4
97.02884	5.8
97.06528	5.0
97.10157	2.0
99.04420	1.5
99.08085	2.5
99.79197	1.0
105.06349	2.0
105.07020	26.9
107.08573	19.9
109.06503	5.3
109.10130	12.9
111.08046	1.6
117.06979	3.1
119.08563	24.1
120.18402	1.0
121.10134	26.0
122.10423	1.5
123.08031	4.2
123.11690	25.3
127.03905	3.0
127.07487	1.9
127.12505	1.1
129.07047	1.5
131.08559	7.6
133.10094	7.1
135.11661	8.5
136.06163	4.3
137.13219	3.4
145.04922	2.7
145.10106	6.5
147.11667	53.1
149.13248	5.4
156.62689	1.1
157.10120	1.8
157.13751	1.3
159.11671	3.3
161.13257	4.0
163.05972	3.6
163.14806	3.2
165.12706	20.9
173.13261	2.4
175.11143	2.8
175.14816	1.8
178.44862	1.1
183.13806	2.7
184.30208	1.2
193.12238	4.0
211.13176	1.6
229.14328	5.0
243.21127	5.5
261.19400	1.2
261.22119	22.7
267.15884	78.0
279.23148	3.7
285.16925	100.0
286.17242	1.6
317.24667	3.4
335.25763	88.5
336.26010	2.8
349.47827	1.4
353.26678	5.3
471.34714	2.3
527.37317	9.9
545.38312	73.3
546.39008	2.9
563.39246	3.9
696.94440	1.3
904.48541	3.9
905.49548	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	907.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
68.99788	0.5
69.03429	0.9
71.04982	0.3
71.63551	0.3
79.05527	0.3
79.20347	0.2
81.03407	0.6
85.02911	0.7
87.04449	0.4
95.04952	0.4
97.02866	0.6
107.04960	0.8
109.02829	0.4
109.06483	0.2
111.04392	0.3
121.02853	1.7
123.04420	0.6
125.05988	0.4
127.03940	0.8
133.10048	0.2
135.04411	0.5
136.05215	0.2
137.02313	5.2
137.03362	0.4
137.05945	0.3
139.07556	0.6
147.04388	1.3
148.05176	0.3
149.02327	0.4
149.05980	0.9
151.03830	0.3
151.07535	1.4
153.05449	0.7
153.06932	0.2
161.05962	0.3
162.03030	0.2
163.03880	1.8
163.07495	0.3
164.04662	0.3
165.01814	3.3
165.03142	0.3
165.05515	0.5
165.19125	0.2
167.07045	2.5
168.07806	0.6
173.05981	0.3
175.03914	0.6
176.04639	0.3
177.05487	1.7
178.06232	3.8
179.03400	0.9
179.06990	1.9
181.08620	0.7
185.05954	0.4
187.03909	0.6
189.01756	0.4
189.05540	0.3
191.03360	0.5
191.06990	2.9
192.07840	0.4
193.04994	0.7
194.09384	2.1
195.06519	1.8
197.06012	0.4
199.03932	0.3
201.05397	0.3
203.03285	0.2
205.04918	3.1
211.07509	0.4
213.05472	0.7
214.02686	0.3
215.03438	0.5
217.01308	0.3
217.05009	0.2
219.06532	0.6
220.39105	0.2
221.08122	0.2
222.05161	0.3
225.05479	0.4
227.07127	0.3
229.01303	0.3
229.05009	0.6
237.05453	0.7
239.03236	0.3
239.07094	0.3
241.04874	1.1
243.02950	0.3
243.06493	0.2
245.00793	0.3
253.05019	0.6
255.02917	0.3
255.06487	0.2
257.04578	0.7
258.05145	0.3
259.06094	0.6
260.03470	0.3
265.05042	0.6
267.02966	0.3
267.06522	0.4
268.03696	0.5
269.04437	0.8
269.07431	0.2
269.58130	0.2
273.00308	0.9
274.01102	0.2
281.04465	0.9
282.05475	0.3
283.02560	0.3
283.05966	0.7
284.06732	0.4
285.03983	0.6
285.07489	0.2
287.02005	0.5
287.05014	0.3
291.10437	0.3
293.04474	0.5
295.02432	0.4
295.05890	0.3
296.03302	0.3
297.03970	0.7
297.07333	0.3
301.03943	0.3
301.06927	1.8
303.04922	2.0
305.08124	0.3
307.05966	0.6
307.09320	0.3
309.03937	1.9
310.04459	0.3
311.05542	0.7
312.06183	1.4
313.03549	0.3
313.07059	0.3
314.04587	0.3
315.05368	0.2
317.07935	0.3
321.03943	0.5
321.07388	0.5
323.05420	0.4
325.03607	0.4
325.07254	0.9
327.04761	1.1
329.07504	0.3
331.06027	0.7
332.06738	0.3
333.07584	0.8
334.04645	0.3
335.05548	0.4
337.03311	0.4
339.05078	0.6
341.02960	0.5
341.06577	0.5
342.07370	0.3
344.08945	0.3
345.03842	0.3
345.09613	0.5
346.04919	0.3
347.05450	0.9
347.09320	0.6
348.06335	0.3
349.03522	0.3
349.07135	1.1
350.07935	0.3
351.08759	0.4
352.05698	0.3
353.06662	0.6
355.04565	0.4
357.09491	0.7
358.04535	0.3
359.05429	0.7
359.09323	0.3
360.06311	0.7
361.07062	1.7
363.04965	0.8
363.08725	0.6
364.05594	0.3
365.02710	0.3
365.06595	0.3
365.10492	0.4
367.08148	0.4
371.08676	0.5
372.06238	0.4
373.06989	1.0
375.04633	0.3
375.08679	2.4
376.05551	0.5
376.09607	0.5
377.06403	2.2
377.10129	0.3
378.07370	0.4
379.04190	0.5
379.08194	0.8
383.07574	0.4
384.08640	0.3
385.07809	0.7
387.04617	0.6
387.08685	0.8
388.05890	0.8
389.06308	1.2
390.11026	0.3
391.03894	0.4
391.08182	0.8
392.08759	0.3
393.09561	1.0
395.07739	0.7
397.06860	0.4
397.12927	0.6
400.09711	0.4
401.06265	1.9
402.07251	0.8
403.08197	2.5
403.12729	0.3
404.04834	0.4
405.05905	5.7
406.06570	0.3
407.11624	0.5
412.05585	0.4
413.06445	1.4
415.03931	0.4
416.08936	0.6
417.05322	0.4
417.09732	0.7
418.10812	0.4
419.07520	1.9
420.08456	0.8
421.09106	1.0
423.07037	1.0
425.06723	0.3
425.12271	0.5
427.08270	0.8
428.08987	0.5
429.05856	2.8
430.06708	0.4
431.07263	2.7
432.08704	0.4
433.05405	10.7
434.05365	0.4
434.10205	0.6
435.11642	1.6
436.04214	0.8
437.08826	0.6
438.09329	0.4
440.04785	0.3
441.06116	0.8
442.07019	0.5
443.11154	1.0
444.08472	1.4
445.09256	0.7
446.10355	0.4
447.06955	4.1
448.07834	1.5
449.08221	1.3
450.09537	0.8
451.06088	0.5
453.11728	1.9
455.08105	0.3
456.08551	1.7
457.05072	1.6
459.06137	6.5
459.12012	0.9
460.07449	0.4
461.13385	1.4
462.09280	1.0
463.10199	10.9
464.11014	0.4
465.08051	0.8
466.08881	6.8
467.09613	0.3
471.11017	0.4
472.07809	1.5
473.05017	0.7
473.09799	0.3
474.09918	1.3
475.06143	3.6
476.06989	0.3
477.05289	0.4
477.11935	4.0
478.11633	0.3
479.09778	0.7
480.10568	0.7
481.11252	14.8
482.11560	0.6
485.05161	0.6
487.10287	3.9
489.12201	3.2
490.08359	1.1
491.09482	0.8
501.04480	0.5
503.06476	2.5
505.11227	18.3
506.11591	0.6
507.13394	15.4
508.13269	0.5
515.10040	0.3
518.08264	0.5
521.10730	3.8
523.12219	5.7
524.12958	0.4
531.09155	3.0
533.10736	2.5
549.10254	9.4
551.11804	17.5
552.12189	0.8
559.08813	0.7
567.11230	4.9
577.00262	0.4
577.09613	6.6
578.10138	0.4
595.10767	34.2
596.11127	1.2
613.11792	100.0
614.12170	3.8
775.17017	0.9
864.22687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94153	0.4
65.03909	1.8
66.40975	0.4
67.05495	45.3
68.05791	0.6
69.03092	0.6
69.03420	5.6
69.06212	0.5
69.07061	11.7
71.04988	4.0
73.02908	4.2
77.03921	0.5
79.05481	36.4
81.03405	53.6
81.07042	50.6
82.03754	0.5
83.04515	0.8
83.04971	11.6
83.08106	1.0
83.08604	25.1
85.02892	31.7
85.06528	2.5
85.10131	0.5
91.03439	0.7
91.03947	9.2
91.05466	35.4
92.05766	1.0
93.07030	38.5
95.04955	24.7
95.08590	30.8
96.08907	0.9
97.02876	9.6
97.06518	4.4
97.10149	5.0
99.04417	0.8
99.08047	2.1
103.05479	0.6
103.98709	0.5
105.04471	0.8
105.07015	26.9
107.04931	5.0
107.08573	20.3
109.06490	4.3
109.10139	13.2
111.04462	2.5
111.08060	11.2
113.05962	1.7
115.05412	1.6
116.06198	0.7
117.06987	5.3
118.63512	0.5
119.04892	0.5
119.08559	22.1
120.08903	0.6
121.06468	1.4
121.10126	19.7
123.08060	3.1
123.11691	5.0
125.05951	0.7
125.09663	2.3
125.10386	0.6
127.03907	3.6
127.07500	0.7
128.06215	0.7
129.06981	10.5
129.28308	0.5
131.08551	15.1
133.06488	2.4
133.10109	16.0
135.08017	1.2
135.11674	8.2
137.09583	1.8
137.13217	1.1
139.11139	0.7
141.06932	0.6
142.07744	2.0
143.08569	0.7
145.04910	3.7
145.10089	6.7
147.08034	2.8
147.11661	17.8
148.11877	0.5
149.09583	6.8
149.13222	4.5
149.57285	0.5
151.11137	1.4
153.12738	0.6
155.08514	0.7
157.10112	13.1
159.11665	4.1
161.13219	3.0
163.06012	3.1
163.11169	1.6
163.14761	2.5
165.12704	3.3
169.10037	1.0
169.63347	0.5
171.11682	0.7
173.13197	3.3
175.11176	13.5
175.14786	1.2
177.16348	0.6
185.13252	1.0
187.14769	1.7
189.16328	0.6
193.12215	38.9
194.12592	1.0
201.16422	0.8
211.13261	68.7
212.13600	1.9
219.17542	0.6
227.12764	1.7
243.21066	3.3
249.14917	0.7
261.22104	11.0
262.22427	0.7
267.15881	16.4
277.21722	0.5
283.15521	1.1
285.16919	79.0
286.17212	1.8
299.23758	1.0
301.25000	1.1
303.23273	0.6
317.24808	2.6
335.25757	64.8
336.26157	3.2
359.25754	0.6
384.08188	0.6
417.31638	1.0
435.27274	0.6
435.32382	3.0
453.33585	2.6
470.83484	0.5
471.34692	1.8
509.35315	0.7
510.04825	0.5
527.37250	14.3
545.38306	100.0
546.38599	6.9
761.04755	0.6
806.87823	0.6
821.73505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	2.3
67.05493	39.0
69.03416	1.9
69.07056	11.4
71.04982	2.8
71.08604	0.6
73.02892	2.3
79.05479	25.0
79.05946	1.2
81.03402	3.2
81.07043	64.8
82.07397	0.5
83.04968	4.2
83.08608	8.4
85.02890	8.6
85.06532	3.7
85.90859	0.6
87.04425	0.5
87.25721	0.5
91.03934	6.0
91.05459	19.2
93.07027	23.6
95.04958	4.1
95.08586	29.0
97.02888	5.5
97.06508	3.8
97.10144	1.0
99.04447	1.1
99.08064	2.7
101.06003	1.4
103.05499	0.6
105.07013	25.1
107.04925	0.8
107.08580	16.9
109.06524	4.1
109.10139	9.7
111.08099	1.2
113.05990	0.7
114.68781	0.6
117.07006	2.9
119.08563	20.6
121.10120	21.8
123.08038	3.9
123.11683	19.2
124.99383	0.6
127.03879	1.5
127.07533	2.0
129.06995	1.6
131.08549	4.7
133.10120	6.1
133.50185	0.6
135.11664	7.1
136.06146	1.2
136.12003	0.5
137.09627	0.8
137.13217	2.7
141.09099	1.3
145.04935	2.1
145.10091	4.4
147.11661	38.7
149.13210	3.3
157.10078	2.4
159.11665	2.6
161.13225	1.9
163.05984	2.4
163.14815	2.1
165.12730	13.4
170.53664	0.5
173.13246	2.6
175.11133	1.8
175.14803	1.1
177.16357	0.7
179.14424	0.7
183.13762	1.9
187.14801	1.6
193.12248	2.6
197.13187	0.6
211.13176	0.8
229.14296	3.9
233.22667	0.8
243.21117	4.2
261.22095	15.3
267.15869	48.3
268.16122	0.6
279.23111	2.9
285.16913	55.0
286.17343	1.2
313.26987	0.6
317.24756	2.2
327.45441	0.6
335.25742	100.0
336.26056	1.7
353.26837	1.2
408.38953	0.5
471.34488	1.0
517.38629	0.8
527.37177	4.6
545.38281	63.8
546.38354	1.7
563.39642	2.8
771.50604	0.7
805.58746	0.7
905.49945	1.6
925.41455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2543
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03931	0.9
67.05491	0.2
68.99787	0.2
69.03410	0.2
69.91791	0.5
70.06564	0.1
71.04984	1.9
71.06915	0.1
74.74188	0.1
76.21474	0.1
79.31937	0.1
81.03412	0.2
83.04967	0.3
83.32645	0.1
85.02896	2.4
89.03909	0.7
91.03934	0.2
93.03384	0.9
93.28713	0.1
95.04947	0.3
97.02879	6.2
98.21373	0.1
99.04424	0.1
103.05435	0.1
103.87551	0.1
105.06998	0.1
109.02880	0.2
109.06484	0.1
109.79713	0.1
110.03595	0.1
111.04440	0.3
115.03925	0.1
117.02561	0.2
117.03363	2.4
119.04906	0.1
121.02850	2.1
123.04417	0.3
125.02339	0.2
125.05921	0.1
127.03906	0.2
128.06201	0.2
129.05447	0.5
129.06985	0.7
133.02872	0.1
134.03593	0.2
135.04379	0.3
135.19980	0.1
137.02321	4.8
137.05977	0.1
139.03860	0.2
139.05402	0.1
141.06964	0.3
145.02824	6.9
146.03102	0.1
147.04364	0.4
147.06577	0.1
149.02322	2.6
149.05930	0.8
150.03072	0.2
151.03867	0.3
157.06451	1.3
161.05948	0.1
163.03870	0.4
167.03387	4.3
167.04779	0.2
169.06480	0.4
174.06845	0.1
175.07576	0.4
177.05444	12.7
178.05832	0.3
179.03366	0.2
185.05942	1.7
186.05469	0.2
188.08331	0.2
189.05508	0.5
189.07645	0.1
189.09100	0.8
195.04282	0.1
195.06374	0.1
197.05966	0.2
199.03879	0.1
199.07506	0.5
203.07030	0.4
207.06471	0.3
212.04611	0.1
213.05438	3.7
214.06062	0.1
215.07050	0.1
217.04900	0.1
217.08568	0.8
223.03955	0.2
225.05434	0.1
225.07545	0.2
227.06953	0.6
231.06506	1.2
241.04904	1.9
245.08086	1.1
258.05179	0.4
259.05884	0.2
269.04407	1.0
273.07544	0.6
285.03754	0.1
287.05453	100.0
288.05765	2.3
291.08548	2.9
301.06995	0.2
309.09579	0.5
315.04962	0.1
315.08459	0.1
345.09631	0.2
449.10767	2.9
450.11356	0.1
452.17117	0.1
467.19839	0.1
636.50433	0.1
747.20984	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.2
65.17455	0.5
67.05497	23.0
69.03415	2.5
69.06750	0.5
69.07064	5.7
70.04224	1.1
70.04636	2.0
70.06593	0.6
71.04992	2.4
73.02892	1.9
75.68024	0.4
79.05482	18.0
80.05830	0.6
81.03408	31.4
81.07047	25.0
82.07385	0.6
83.04969	6.5
83.08610	11.3
85.02895	14.4
85.06534	1.4
86.09756	0.6
91.03967	2.7
91.05470	14.8
91.06046	0.8
93.01512	0.5
93.07032	19.2
95.04951	12.1
95.05525	0.8
95.08015	1.0
95.08595	15.9
97.02874	3.9
97.06547	2.7
97.10154	2.1
98.21341	0.7
99.04453	0.6
99.08055	0.6
105.07020	12.8
107.04934	2.3
107.08573	10.2
109.06500	2.4
109.10139	6.7
111.04421	1.6
111.08070	5.5
113.05992	1.1
113.81221	0.5
115.05430	0.7
117.07018	2.6
119.08569	10.2
121.06459	1.3
121.10131	9.8
123.08039	1.4
123.11707	2.9
125.09624	1.3
127.03883	0.9
129.06993	5.6
131.08551	8.4
133.06471	1.3
133.10112	5.7
135.11679	5.8
137.09592	1.2
145.04901	1.0
145.10109	3.5
147.08006	1.3
147.11653	7.9
149.09633	3.3
149.13266	2.0
157.10114	6.1
159.11658	1.3
161.13263	1.3
163.05960	0.8
163.11183	1.9
163.14819	1.0
164.11510	0.5
165.12741	1.6
171.11581	0.7
173.13228	2.0
175.11172	6.5
193.12222	22.4
194.12584	0.8
211.13269	31.3
227.12659	2.9
228.13162	1.4
237.18306	0.5
243.21089	1.8
246.92580	0.5
250.14415	0.8
261.22144	3.2
267.15939	5.6
283.15427	2.4
284.15698	1.2
285.16925	32.1
286.17416	0.7
301.25394	0.8
317.24811	1.1
335.25754	29.5
336.26413	2.5
336.29626	0.5
429.21198	1.1
435.32590	0.9
453.33630	1.2
527.37366	7.2
543.37006	1.1
544.37048	1.9
545.38300	100.0
546.38770	4.0
580.42114	0.8
652.13916	0.5
652.72302	0.5
689.42712	0.8
759.57819	0.6
763.02600	0.6
904.49719	2.0
905.49609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72248	0.5
65.03888	1.9
67.05496	33.4
69.03433	3.1
69.07057	9.0
69.56516	2.9
69.56918	1.2
71.04977	2.8
71.14565	0.5
73.02906	3.0
77.03910	0.7
79.05482	30.2
81.03407	31.9
81.07043	40.3
82.07359	0.5
82.18555	0.5
83.04970	8.3
83.08608	14.6
85.02891	20.3
85.06492	1.3
91.03946	5.2
91.05466	25.2
93.07034	28.3
95.04951	13.3
95.08592	25.1
97.02337	0.7
97.02876	6.4
97.06506	3.0
97.10169	3.4
99.04404	0.9
99.08038	1.1
105.07019	16.7
107.04961	3.9
107.08587	15.1
108.08868	0.6
109.06484	2.3
109.10146	9.3
111.04388	1.4
111.07445	0.5
111.08068	5.3
113.05945	1.2
116.01250	0.5
117.07014	3.4
119.07774	1.1
119.08562	15.3
121.06454	0.7
121.10129	12.8
123.08017	1.7
123.11668	4.7
125.09526	0.7
125.36766	0.5
127.03857	1.7
128.06175	0.6
129.06987	4.9
131.08549	11.8
133.06419	1.5
133.10104	9.3
135.10783	0.6
135.11674	7.3
137.09576	1.0
137.13190	0.9
142.07690	1.2
143.08424	0.8
145.04907	2.0
145.10103	5.5
147.08031	1.2
147.10597	0.7
147.11667	11.9
149.09596	3.2
149.13225	3.5
157.10109	7.9
159.11661	2.5
161.13194	2.8
163.05997	3.0
163.11081	0.6
163.14781	1.5
165.12669	1.9
165.60289	0.5
171.11668	0.7
173.13252	3.1
175.11153	7.4
175.14740	0.9
183.11635	0.7
185.13213	0.6
187.14781	1.2
193.12207	24.8
211.13258	38.2
227.12682	1.3
229.14229	0.5
243.21021	2.9
249.07103	0.5
252.37473	0.5
261.22113	9.1
267.15891	12.2
285.16919	44.3
286.17349	0.7
299.23611	0.6
301.24997	0.7
317.24719	2.1
319.43228	0.5
335.25751	70.1
336.26233	1.5
417.31323	0.8
435.32547	1.5
453.33829	1.2
471.34824	0.6
509.36319	0.9
527.37280	13.7
545.38293	100.0
546.38855	3.6
689.41882	0.6
787.94519	0.6
902.33862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2539
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03938	1.2
65.42675	0.2
67.05486	0.5
68.99765	0.4
69.03421	1.2
70.06585	0.4
71.04623	0.3
71.04985	4.0
71.66353	0.3
73.02903	0.5
79.05470	0.2
80.69833	0.2
81.03390	0.4
83.01296	0.3
83.04953	0.9
85.02383	0.3
85.02892	5.8
87.04414	0.4
87.48514	0.2
89.03910	2.5
91.02358	0.1
91.03929	0.5
91.05476	0.4
93.03412	1.4
95.04945	0.5
97.02882	14.6
99.04417	0.3
103.05453	0.2
105.03394	0.3
107.04927	0.6
109.02869	0.7
111.00793	0.5
111.04419	0.8
115.03936	0.4
117.03364	8.2
118.03667	0.2
121.02841	2.9
123.04425	0.3
125.02348	0.5
125.05950	0.3
127.03872	0.7
128.06178	0.5
129.05466	1.3
129.06961	1.3
133.02808	0.5
134.03581	0.4
135.04388	0.9
137.02307	0.5
137.05980	0.4
139.03860	0.4
139.05423	0.2
141.06995	0.3
145.02831	23.1
146.03116	0.5
147.04372	0.8
149.02335	1.7
149.05957	3.2
151.03864	0.9
153.01817	3.1
157.06439	1.5
161.05991	0.4
163.03926	0.4
165.01828	1.6
167.03394	6.6
167.04808	0.5
169.06470	0.4
171.04456	0.3
174.06699	0.3
175.03923	0.2
177.05449	46.3
178.05803	0.6
183.02844	0.7
184.04924	0.2
185.05981	0.9
186.05478	0.6
187.07501	0.3
189.05447	0.9
189.09109	1.3
191.07019	0.3
195.04738	0.2
195.06450	1.0
197.05865	0.3
199.07463	1.1
203.07124	0.3
207.06517	0.5
213.05432	1.4
215.07024	0.3
217.08589	1.3
225.07520	0.4
227.06955	1.1
231.06519	0.6
241.04857	1.0
245.08034	2.2
255.06442	0.2
258.05237	0.8
259.06046	0.3
273.07510	1.1
287.05466	100.0
288.05798	2.4
291.08603	5.2
297.07098	0.2
299.01981	0.3
299.05350	0.3
301.07080	0.7
305.90494	0.2
309.09650	0.7
315.05228	0.3
317.06543	0.5
321.09601	0.4
323.11319	0.5
329.06494	1.4
339.10901	1.4
345.09622	0.7
353.06561	0.3
449.10773	0.5
455.15363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.3
70.05773	0.5
70.06169	0.3
74.01787	0.2
78.87311	0.2
85.02905	0.5
87.04470	0.2
91.05486	0.3
95.04986	0.2
97.02887	0.4
107.04956	0.4
115.03904	0.2
119.04943	0.2
121.06553	0.3
125.05981	0.2
135.04489	0.2
136.05197	0.3
137.02342	0.3
139.07526	0.5
147.04402	0.9
149.06007	0.9
150.06805	0.2
151.03862	0.2
151.07524	0.7
153.05470	0.6
161.05988	0.4
161.21919	0.2
162.06798	0.3
163.03870	1.0
165.01855	0.2
165.05504	0.2
167.07002	1.3
175.03864	0.3
177.01860	0.3
177.05411	1.2
178.06235	2.4
179.03424	0.2
179.07004	1.1
181.08606	0.6
191.03380	0.4
191.06985	1.3
192.07704	0.4
193.04985	0.4
194.09328	1.0
195.06490	1.0
203.03383	0.3
204.37830	0.2
205.04953	2.3
205.08658	0.2
207.02930	0.3
213.05496	0.2
215.03410	0.3
217.05014	0.3
219.06503	0.2
219.22914	0.2
223.03818	0.2
227.03557	0.2
227.07370	0.2
229.04887	0.3
231.06668	0.3
239.03555	0.4
240.04335	0.2
241.01294	0.2
243.06654	0.2
251.03334	0.3
253.04987	0.2
255.02844	0.2
263.03070	0.2
267.02872	0.4
269.04453	0.5
281.04471	0.4
283.02338	0.4
285.04086	0.2
285.07553	0.4
295.02304	0.3
297.03894	0.4
299.01996	0.2
301.07248	0.2
307.02438	0.3
309.03952	0.4
311.01950	0.3
311.05542	0.3
312.06348	0.8
313.03317	0.2
313.06982	0.6
315.04974	0.4
317.04123	0.2
319.02249	0.2
321.03976	0.3
325.03497	0.4
344.09143	1.2
345.09601	0.4
353.02869	0.2
355.05609	0.3
356.07019	0.2
358.04636	0.4
359.05511	0.4
367.05789	0.2
369.03885	0.3
371.05389	0.4
373.07034	0.5
374.08057	0.2
377.06619	0.3
383.05325	0.5
385.07101	0.5
386.03766	0.4
387.04596	0.3
387.08902	0.4
389.06494	0.4
390.07208	0.3
395.05109	0.3
398.07852	0.2
399.04825	0.5
400.05600	0.3
401.06564	1.6
402.07245	0.3
403.04080	0.4
403.08603	0.3
405.05737	0.3
411.04837	0.7
413.06644	0.5
415.08514	0.4
416.08969	0.3
417.06073	0.6
426.07672	0.2
427.04501	0.6
428.04742	0.3
429.05997	3.0
430.06897	0.3
431.03879	0.7
433.09216	0.2
439.04498	0.7
440.05374	0.2
443.07861	0.5
444.08188	0.5
445.04816	0.9
447.11221	0.3
450.09695	0.3
451.05884	0.3
454.07135	0.4
455.03918	0.9
457.05359	5.6
458.06149	0.5
459.11594	1.1
460.07950	0.3
461.08780	0.5
466.09024	1.8
469.09805	0.4
470.06482	0.7
471.07004	1.2
472.08066	1.1
473.05157	1.1
475.10913	0.8
477.12000	0.2
479.09241	0.3
483.03165	2.6
485.04901	0.6
485.09070	0.3
487.10251	13.5
488.07309	0.5
489.07971	0.5
491.09494	0.3
498.05762	0.4
499.06705	0.9
501.04065	2.8
503.10245	2.3
511.02802	1.0
513.08154	2.7
514.08612	0.4
515.09747	0.3
516.06818	2.7
517.07898	0.6
519.09613	0.9
521.10522	1.0
526.04858	0.4
529.03894	1.0
531.09198	4.7
532.09760	0.5
533.10791	0.7
541.07446	1.6
544.05969	0.3
549.10217	10.3
550.10297	0.9
559.08667	2.9
560.09259	0.3
563.11633	1.8
564.11932	0.3
577.09680	100.0
578.09961	5.1
591.11115	0.4
609.12299	11.2
610.12720	0.6
673.11951	0.2
675.96716	0.2
707.65527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.1
69.03422	0.3
69.47080	0.1
70.14404	0.4
70.14819	0.3
79.05453	0.3
81.03425	0.1
85.02891	0.6
91.05478	0.3
95.04960	0.2
97.02881	0.4
98.21307	0.2
103.05439	0.2
105.03358	0.2
105.07014	0.2
107.04944	0.3
119.04955	0.2
121.06478	0.2
123.04400	0.2
127.03899	0.2
131.04892	0.1
135.04382	0.3
136.05145	0.2
137.02303	0.2
137.05942	0.3
139.07555	0.4
147.04408	0.5
149.02350	0.3
149.05952	0.6
151.03903	0.2
151.07500	0.8
153.01912	0.1
153.05457	0.3
161.05956	0.3
162.03229	0.2
162.06764	0.3
163.03896	0.9
165.05453	0.2
165.09233	0.1
166.06390	0.2
167.07030	1.5
168.07863	0.2
175.03938	0.4
176.04550	0.1
177.05438	1.4
178.06258	2.3
179.03389	0.4
179.07025	1.0
181.04903	0.1
181.08609	0.5
187.03886	0.2
190.02544	0.1
190.06189	0.2
191.03334	0.3
191.07039	1.2
192.03996	0.2
192.07642	0.3
193.04961	0.3
194.09375	0.7
195.06441	1.1
197.05966	0.3
199.03996	0.2
202.02582	0.1
205.04953	2.3
206.05536	0.2
211.03972	0.3
213.05386	0.2
221.08130	0.2
223.03954	0.2
225.05342	0.2
227.03426	0.3
229.04860	0.2
231.02905	0.1
236.04666	0.1
239.03366	0.3
241.04961	0.2
243.03015	0.2
243.06400	0.2
251.03397	0.3
253.05005	0.4
255.02861	0.3
257.04529	0.2
257.07993	0.2
259.02072	0.1
265.04953	0.3
267.02863	0.3
268.03592	0.2
269.04416	0.6
271.02359	0.3
271.06223	0.2
279.02750	0.2
281.01398	0.2
281.04456	0.5
282.05167	0.2
283.02298	0.5
283.05676	0.3
284.03046	0.2
285.03857	0.2
285.07645	0.4
287.01831	0.4
291.02545	0.2
293.04282	0.3
295.02417	0.3
297.03943	0.8
297.06873	0.1
299.05441	0.3
307.02463	0.3
308.03198	0.2
309.03894	0.6
310.04721	0.2
311.02209	0.3
311.05609	0.2
312.02979	0.2
312.06250	0.9
313.03595	0.2
313.07095	0.4
315.05450	0.1
317.04486	0.3
319.02457	0.4
319.09247	0.1
321.03790	0.3
325.03473	0.5
325.06998	0.3
327.05591	0.2
329.03082	0.2
329.07318	0.1
331.05853	0.2
333.03873	0.2
335.01849	0.3
337.03644	0.4
339.01343	0.1
342.04999	0.2
343.05591	0.2
344.08978	1.4
345.09564	0.5
347.05484	0.2
349.06885	0.2
353.03000	0.3
355.05554	0.4
357.07654	0.3
358.04541	0.3
359.05276	0.2
369.03726	0.4
370.04633	0.2
371.05399	0.3
372.06494	0.3
373.07187	0.7
374.08109	0.2
375.04630	0.2
375.08749	0.2
383.05545	0.3
385.07181	0.4
386.03891	0.3
386.08249	0.3
387.04956	0.4
388.09573	0.2
389.06625	0.3
390.07617	0.2
393.06061	0.3
395.05658	0.3
397.07452	0.2
398.08020	0.2
399.04974	0.6
400.05386	0.3
401.06503	1.9
402.07352	0.3
403.04108	0.3
405.05939	0.4
411.04626	0.8
413.06659	0.4
414.07706	0.3
415.03760	0.2
415.08270	0.4
416.08987	0.3
417.06058	0.5
418.06891	0.2
419.07217	0.2
421.05542	0.2
425.06671	0.3
426.07413	0.4
427.03830	0.8
428.05243	0.4
429.05850	3.2
429.10825	0.2
430.06693	0.2
431.03992	0.6
433.05569	0.4
439.04340	1.1
440.05087	0.2
441.06116	0.3
442.07123	0.3
443.08105	0.6
444.08652	0.7
445.04706	0.9
447.03162	0.2
451.06186	0.3
453.06583	0.2
454.07144	0.2
455.03146	1.2
457.05316	5.6
458.05994	0.4
459.11447	1.1
460.08261	0.3
461.08737	0.8
466.08862	1.8
467.03882	0.2
469.09198	0.4
470.06332	0.5
471.06931	1.2
472.07788	1.4
473.04153	1.4
474.04993	0.2
475.10818	0.8
477.11917	0.3
479.09818	0.3
483.03448	2.6
484.03842	0.2
485.04843	0.5
485.09937	0.2
487.10254	12.8
488.10178	0.6
489.08029	0.5
497.09381	0.2
498.05801	0.4
499.06628	0.9
501.04141	3.0
502.05829	0.3
503.10028	2.2
504.10629	0.2
505.11230	0.5
511.02814	1.3
513.08105	2.9
514.08722	0.2
515.09442	0.4
516.06824	3.1
517.06915	0.8
519.09894	1.2
521.10699	0.9
526.05176	0.6
527.05090	0.2
529.04004	0.9
531.09222	4.5
532.09668	0.3
533.10638	0.5
541.07697	1.5
544.06207	0.3
549.10217	9.4
550.10577	0.7
559.08722	2.6
560.09241	0.2
563.11768	1.9
564.11676	0.2
565.12988	0.2
577.09686	100.0
578.10046	5.4
591.11481	0.6
609.12335	11.0
610.12555	0.8
673.11188	0.3
739.15131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05495	53.5
68.05847	1.0
69.03407	3.3
69.07062	13.2
69.45745	9.4
71.01326	1.6
71.04974	4.4
71.08614	3.5
73.02896	4.5
77.03927	1.2
79.05477	46.6
81.03409	15.4
81.07043	53.8
82.03781	1.1
82.07397	1.2
83.01322	9.0
83.04971	11.7
83.08608	18.6
85.02892	21.3
85.06499	1.9
85.10167	1.7
91.03937	12.9
91.05463	26.6
93.07029	52.2
94.07383	1.3
95.04952	9.7
95.08590	39.5
97.02881	13.7
97.06509	6.5
97.10131	5.1
99.04428	3.5
99.08058	1.3
103.05466	1.2
105.07017	21.4
107.04940	6.9
107.08578	30.5
109.06491	6.4
109.10134	13.4
111.04407	1.9
111.08082	3.9
115.05443	1.1
117.06995	10.6
119.08562	18.1
121.06506	2.9
121.10110	20.2
123.08052	10.0
123.11668	6.2
125.05952	1.6
125.09609	4.1
127.03896	2.5
129.06981	2.8
130.07808	1.9
131.08549	14.2
133.10097	9.1
135.08046	2.1
135.11662	19.1
136.06192	1.5
137.09561	2.1
137.13229	2.5
139.11134	1.2
143.08566	2.2
145.04929	5.7
145.10098	20.3
147.08029	2.5
147.11710	6.2
149.09622	1.1
149.13232	6.7
151.11107	1.3
153.12721	4.0
155.08566	1.6
157.10173	1.3
159.11658	6.9
161.13239	5.1
163.06026	7.8
163.11163	20.9
163.14798	3.8
169.10071	1.0
171.08041	1.2
171.11652	1.2
172.93282	1.0
173.09605	2.9
173.13217	5.9
175.11162	1.0
175.14798	2.3
177.16379	1.5
181.12219	3.8
185.13182	1.2
187.14859	3.1
189.11206	3.1
191.10652	2.6
193.12239	3.5
209.11703	5.9
211.13129	1.6
227.12718	10.7
243.20985	5.4
259.20596	1.9
261.22095	18.4
267.15796	5.9
268.16177	3.1
277.21667	1.2
281.22552	1.1
283.15363	100.0
284.15778	3.8
285.16852	2.1
299.23685	5.8
313.27338	4.4
314.27643	2.6
317.24646	5.3
333.24268	2.8
335.25748	99.2
336.26044	4.6
415.30331	1.4
423.32230	1.2
433.31064	2.0
451.32007	4.4
469.32938	3.1
487.33832	1.8
505.38574	1.3
506.39368	2.3
507.39484	3.8
515.37109	1.8
524.34625	1.1
525.35675	7.9
543.36749	99.1
544.36993	7.2
561.37927	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	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87156	0.6
65.03873	1.7
67.05494	29.3
69.03370	1.4
69.07055	9.5
71.04932	1.7
71.08595	1.0
73.02872	1.3
79.05479	29.7
81.03402	3.2
81.07042	34.9
82.07347	0.9
83.04984	2.6
83.08595	6.7
84.76867	0.5
85.02895	2.3
85.06483	1.2
85.10128	0.7
91.03898	1.7
91.05455	12.9
93.07030	38.7
94.36932	0.5
95.04961	6.9
95.08589	40.1
95.12837	0.5
95.81203	0.4
97.02864	4.0
97.06524	4.1
97.10091	1.3
98.21460	1.3
99.04387	2.3
99.08041	0.9
103.05421	0.6
105.07015	10.8
107.04950	4.6
107.08573	26.4
109.06456	1.4
109.10138	9.6
110.00335	0.6
111.04381	0.8
111.08006	1.5
117.06307	0.6
117.07005	8.1
119.08561	12.7
121.06483	3.7
121.10126	16.0
123.08010	1.1
123.11660	2.9
125.05906	2.1
125.09605	0.6
127.03857	0.8
129.06935	0.9
130.07727	1.0
131.08554	4.9
133.10110	4.9
135.08011	1.5
135.11670	36.9
136.06087	2.1
137.09573	0.8
137.13181	0.7
139.07451	1.2
143.08420	0.6
145.10100	20.9
146.10370	0.8
147.11652	2.8
149.13167	2.3
153.12703	0.7
157.39708	0.5
159.11624	1.8
160.17297	0.6
161.13187	1.3
163.11156	40.4
164.11461	1.2
173.13173	1.8
176.60541	0.5
181.12195	6.6
209.11716	0.6
209.24152	0.5
227.12749	47.1
228.13098	1.1
243.21011	2.0
261.22134	7.1
267.15857	1.3
268.16141	0.9
283.15359	57.5
284.15668	1.8
291.23004	0.6
313.27243	1.2
314.27679	1.3
317.24667	2.3
335.25742	100.0
336.26001	3.9
387.98920	0.5
421.78806	0.6
469.33786	0.7
505.38794	0.7
506.39255	1.2
507.39551	0.9
543.36731	99.0
544.37079	6.6
857.19965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	1.6
67.05495	30.5
69.03395	1.9
69.06698	0.6
69.07052	9.4
71.04987	3.3
71.39373	0.9
72.95649	0.5
73.02876	2.0
74.72533	0.5
77.03889	0.6
79.05481	31.2
81.03402	3.5
81.07043	36.8
83.04955	2.7
83.08600	7.9
85.02893	4.1
91.03912	2.4
91.04945	0.8
91.05466	12.5
93.07028	44.3
95.04945	6.3
95.08591	45.8
96.08910	0.7
97.02869	4.6
97.06497	4.0
97.10126	2.0
99.04443	4.5
99.08064	0.6
103.05443	1.2
105.04536	0.6
105.07004	11.2
107.04943	5.9
107.08572	30.6
107.65053	0.7
109.02806	0.6
109.06481	2.1
109.10142	10.0
111.04414	1.3
111.08047	1.1
113.05975	0.7
115.05393	0.7
116.51109	0.5
117.06271	0.8
117.07004	9.1
119.07726	0.9
119.08557	13.1
121.06496	3.8
121.09277	0.9
121.10127	18.2
123.08038	0.8
123.11660	2.5
125.05975	2.7
127.03889	1.0
129.06982	0.9
130.07770	1.5
131.08559	5.1
133.10115	6.0
135.08037	2.5
135.11671	48.5
136.06143	1.2
136.12012	0.7
137.13222	1.4
139.07516	0.9
143.08548	0.8
145.04863	1.0
145.10100	26.9
147.11642	2.4
149.13202	2.5
153.12682	0.7
159.11667	2.4
161.13188	1.9
163.06070	0.8
163.11156	55.4
164.11421	0.8
173.09619	0.6
173.13184	2.4
175.14735	0.9
181.12183	9.8
209.11694	1.5
227.12743	73.0
228.13005	1.6
243.21057	2.1
261.22107	9.5
283.15359	100.0
284.15732	1.6
313.27518	1.0
314.27725	0.6
317.24686	2.0
335.25742	83.4
336.26151	2.3
469.33151	0.7
543.36737	93.0
544.36969	3.8
561.37585	1.5
755.11200	0.6
862.96338	0.6
893.68817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03880	0.8
67.05498	14.0
68.92338	0.6
69.03383	1.8
69.07056	7.2
71.01318	0.8
71.04955	1.6
71.08621	17.3
71.63927	0.8
73.02884	2.0
79.05478	7.6
81.03405	52.6
81.07040	15.4
83.04962	3.4
83.08605	16.4
85.02902	4.9
85.06516	0.8
85.10169	10.8
87.04438	0.8
89.05987	1.1
91.03945	3.3
91.04929	0.9
91.05462	11.5
93.07032	6.1
95.04956	15.9
95.08028	1.0
95.08590	16.2
97.02868	3.2
97.06476	1.6
97.10162	4.8
103.07559	0.8
105.07023	8.0
106.57754	0.5
107.04948	4.0
107.08617	2.9
109.06452	2.2
109.10135	8.0
111.04398	1.5
111.08047	4.4
111.11674	0.7
117.06973	1.8
119.04846	1.3
119.07864	0.8
119.08559	8.4
121.06463	1.8
121.10129	3.9
123.04354	1.3
123.08043	1.1
123.11655	2.7
125.09629	1.4
127.03896	1.8
129.06979	5.6
131.08548	6.0
131.65628	0.7
133.06422	2.0
133.10107	2.9
136.06154	0.9
137.09573	1.2
137.13199	1.4
139.11063	0.8
142.07782	1.6
143.08589	0.8
145.04895	2.2
145.06377	0.7
145.10065	1.4
147.07993	2.4
147.11682	4.3
149.09581	3.0
157.10121	6.5
159.11702	0.7
163.05992	2.8
165.12665	1.5
175.11162	6.3
189.05472	0.9
193.12222	20.9
211.13237	1.8
221.22530	0.6
235.13234	1.8
239.23671	1.8
240.27313	0.7
257.24680	1.4
259.13223	1.9
267.15875	99.3
268.16168	2.8
273.14816	1.4
301.14255	2.1
309.16891	2.8
313.27319	100.0
314.27643	2.7
333.13269	1.4
335.25656	1.8
351.13947	0.6
406.38812	0.6
425.18005	1.9
426.17978	0.8
453.31091	0.7
505.38815	88.0
506.38867	3.9
523.39655	2.5
525.54022	0.7
547.40027	5.0
589.40564	0.7
601.40472	1.7
613.41101	1.8
631.41754	1.5
635.56018	0.6
685.39606	1.3
829.04059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.3
67.05497	30.4
69.03433	1.1
69.07062	7.7
70.20199	1.9
71.04971	1.5
73.02919	0.7
79.05483	33.5
81.03406	3.8
81.07048	28.6
83.04968	4.3
83.08611	4.6
85.02898	2.7
85.06530	1.4
91.03953	2.1
91.04883	0.7
91.05016	0.5
91.05467	23.1
93.07031	35.7
94.07357	0.7
95.04955	7.4
95.08595	23.3
97.02876	1.3
97.06520	2.3
97.10158	1.9
105.07015	17.7
107.04953	2.1
107.08578	12.4
109.06509	2.2
109.10152	6.4
111.08031	0.8
117.06985	3.5
119.08569	10.5
119.09332	1.1
121.06542	1.2
121.10127	6.9
122.92565	0.7
123.08086	2.2
123.11687	2.1
125.09647	0.9
127.03893	0.9
127.35902	0.8
128.06184	0.7
128.18414	0.6
129.06996	5.7
131.08533	4.4
133.10117	6.6
135.11684	5.0
137.13228	0.9
143.08525	3.6
145.10091	5.6
147.08017	1.1
147.11665	11.9
149.13251	2.2
159.11682	1.6
161.09608	1.2
161.13228	4.7
163.14822	0.9
167.96793	0.6
171.11662	9.1
173.13252	1.4
177.16273	0.6
187.14833	0.9
189.12761	2.9
207.13783	8.1
243.21100	1.0
261.22128	5.1
267.15823	1.2
279.15936	2.0
281.17432	28.8
313.27377	1.3
317.24545	1.2
335.25760	35.9
336.26218	0.7
392.06421	0.6
523.38373	1.0
541.38831	100.0
542.39154	4.4
559.39917	2.3
652.33307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03872	0.8
67.05410	3.3
68.99721	1.7
69.03333	5.0
70.00104	3.2
70.00534	1.1
79.05417	1.3
81.03397	4.7
81.06949	2.4
85.02793	5.1
87.00729	0.8
91.05408	1.5
93.06949	1.4
94.04084	0.9
95.04943	4.7
97.02784	2.8
99.04370	1.4
101.02225	0.5
103.05362	1.1
107.04854	1.6
109.02761	2.7
109.03417	0.7
109.06496	5.7
121.06481	5.1
123.04408	52.9
124.04633	0.6
125.05886	0.9
127.03773	2.4
137.02144	0.7
137.05995	4.8
138.06641	0.7
145.04819	1.1
147.04303	1.4
149.05952	12.5
150.06268	0.6
151.07399	1.7
153.05437	3.4
155.06993	2.9
161.05936	0.8
163.03787	1.5
165.05437	5.0
167.07008	32.9
168.07561	1.0
169.06335	0.7
176.04556	0.7
177.05495	3.1
178.06200	3.0
179.06886	2.3
180.07668	1.3
180.36496	0.7
181.08600	3.0
185.05840	1.0
191.03342	0.7
191.06984	6.3
192.07631	2.7
193.04848	0.9
193.08554	0.8
194.09377	0.8
205.04776	2.2
213.05438	1.1
214.06116	1.0
219.06274	0.9
229.04878	1.4
230.05573	0.8
241.04887	3.0
243.06227	0.9
245.07896	0.9
255.06430	1.3
257.04248	1.2
257.08160	0.7
259.05804	0.8
261.07480	0.7
268.03601	2.1
269.04468	3.6
271.05890	1.0
272.06647	1.1
273.07401	0.9
282.04861	0.8
283.05829	1.3
284.03873	0.9
284.06708	5.2
285.03821	1.4
285.07227	1.2
287.05386	1.0
297.03806	2.5
297.07083	0.8
299.05411	1.0
300.06061	1.4
301.07043	0.8
303.08640	1.2
311.05237	1.3
312.06216	50.2
313.03473	1.2
313.06802	4.1
315.05173	1.1
315.08533	2.8
325.06937	1.2
326.07211	0.7
328.05597	2.1
329.06522	0.7
337.06796	0.9
341.06268	1.0
343.08112	11.0
344.08807	0.9
361.06943	1.2
374.07874	0.9
375.08704	0.8
389.06018	0.9
391.07892	1.6
401.06442	1.2
403.07971	1.3
405.05508	0.9
405.09891	0.8
411.10791	0.9
419.06918	3.4
429.05835	2.2
430.06451	3.0
431.07364	1.4
433.05267	2.5
433.09961	1.3
433.93002	0.6
434.05832	1.1
435.10608	1.6
443.07504	1.5
445.09381	9.6
447.06693	11.0
448.07623	2.5
449.07538	4.2
451.09833	1.1
459.10934	1.2
460.07809	1.5
461.08133	3.2
462.09219	1.9
463.10092	20.6
464.10776	2.1
475.10245	8.2
476.10718	1.6
477.11755	16.5
478.12393	3.0
479.08017	1.0
479.13141	2.7
481.14755	1.9
489.11783	0.9
490.12241	1.0
491.13345	2.5
493.10779	1.2
494.11990	0.8
497.14389	11.7
505.15002	1.0
507.13235	0.9
509.14374	55.9
510.14813	3.1
523.15894	33.9
524.16077	1.4
535.15979	1.7
627.88037	0.7
632.69922	0.7
645.19543	100.0
646.20032	5.7
682.88568	0.6
687.20465	1.7
807.24536	8.5
843.25201	0.7
849.25812	72.4
850.26184	6.9
875.23688	2.2
893.24762	64.4
894.25238	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	891.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23947	0.6
65.03932	1.0
67.05492	15.8
69.03403	1.0
69.06683	1.2
69.07056	16.3
71.01342	22.0
71.04981	63.5
71.08598	1.1
71.63821	1.0
72.05315	0.7
73.02898	4.0
75.04463	7.6
76.58049	0.6
79.05478	9.4
81.03401	0.8
81.07043	30.1
81.21503	0.6
83.04959	4.8
83.08605	9.7
85.02889	100.0
86.03219	1.2
87.04453	1.7
91.05447	8.5
91.05968	0.8
93.07034	21.0
95.01307	4.6
95.04941	1.9
95.08588	64.0
96.08897	1.1
97.02859	1.3
97.06504	1.2
97.10147	4.8
99.00797	1.0
99.04416	2.4
101.02361	38.6
103.03917	1.7
103.70293	0.6
105.07009	22.8
107.08574	39.1
109.06528	1.2
109.10139	52.3
111.04450	4.7
111.08064	1.7
111.11704	3.1
113.02366	4.4
117.06995	2.8
119.08559	35.8
120.08910	0.7
120.89803	0.6
121.10125	35.5
122.10454	0.7
123.11684	22.1
125.09584	0.6
127.03896	22.3
129.05457	28.3
131.03418	1.8
131.08548	5.6
133.10106	31.9
135.11668	29.7
137.13213	8.6
139.03886	0.7
141.01802	8.2
143.08511	1.6
145.04935	75.2
145.10088	10.7
146.05295	0.8
146.10899	0.8
147.06496	10.4
147.11659	26.2
149.13231	18.1
151.11165	1.0
151.14790	1.6
153.64273	0.6
157.10059	1.8
159.02881	2.8
159.11678	15.4
160.12415	1.1
160.79732	0.6
161.13239	26.4
163.14801	14.8
171.11671	2.2
173.13223	8.6
175.14787	19.0
177.03911	0.8
177.05409	1.3
177.16350	23.5
179.14255	0.8
179.17966	3.0
183.93318	0.6
185.13181	1.7
186.13982	1.0
187.14787	13.2
189.16350	48.6
190.16701	1.7
191.17915	44.5
192.18309	1.6
199.14815	1.5
201.16345	15.7
203.17924	25.4
205.19476	11.5
207.17467	3.9
213.16341	1.7
215.17924	11.5
216.18352	0.6
217.19481	29.5
218.19916	1.2
219.20999	6.0
221.19005	1.7
227.17905	3.4
229.19498	13.2
231.21028	6.4
241.19522	2.4
243.21028	6.1
245.22688	5.0
247.20622	0.6
255.08604	2.0
255.20999	3.1
257.22574	6.4
259.24072	0.7
269.22525	4.6
271.24173	6.9
273.09598	1.6
283.24213	3.3
285.25784	2.1
291.10635	0.9
297.25766	7.5
305.08597	1.1
311.27454	1.9
315.26944	0.9
323.27377	0.7
337.28857	1.4
351.30411	0.8
365.31995	1.9
383.20566	5.8
407.36661	74.6
408.37079	3.8
425.37698	12.5
426.38007	1.1
491.30255	1.1
601.40845	12.6
602.40686	0.6
617.75085	0.7
824.86853	0.6
862.84052	0.7
891.46283	2.0
892.46002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02585	0.1
65.03930	0.1
68.99757	0.3
69.03419	6.4
69.49378	0.1
69.50697	0.3
69.51115	0.6
73.02880	0.5
75.04453	0.2
81.03366	0.4
83.04923	0.1
85.02890	4.5
87.03972	0.2
87.04453	2.9
91.03892	0.5
93.03341	0.1
95.04922	0.2
97.02879	4.5
98.03146	0.1
99.04382	0.3
101.02348	0.2
109.02823	0.3
111.00804	0.6
111.01424	0.1
111.04386	0.2
115.03122	0.2
115.03913	3.6
121.02836	0.6
123.04406	0.1
127.03889	0.8
131.03387	0.1
133.04944	3.9
135.04317	0.2
137.01326	0.1
137.02313	2.6
137.03345	0.2
139.03856	0.4
145.04906	0.7
149.02274	0.4
149.04309	0.2
153.01801	2.1
157.04927	0.3
163.03889	0.6
165.01814	1.7
166.02563	0.1
167.03406	0.1
173.05960	0.2
175.05949	0.2
181.04970	0.2
183.02939	0.6
187.03833	0.3
187.06099	0.2
191.03299	0.1
193.04884	0.1
195.02887	0.2
201.05359	0.9
205.04971	0.2
211.05861	0.3
215.03236	0.1
219.06573	0.3
229.04909	3.1
229.07030	0.8
233.04538	0.1
239.03506	0.1
247.05957	0.8
247.08104	0.2
257.04373	2.3
259.08221	0.2
265.09109	0.4
274.04691	0.6
275.05505	0.2
285.03888	1.1
295.10016	0.2
303.04938	100.0
304.05276	3.0
315.04861	1.0
316.05783	0.1
327.04953	0.4
341.06763	0.2
345.06033	2.5
369.06027	0.4
387.07159	0.2
388.11987	0.1
399.06738	0.2
402.16232	0.1
435.09180	2.7
447.08658	0.2
465.10220	26.1
466.10532	0.8
597.14374	0.6
642.87427	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	889.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03836	0.1
68.99774	0.2
69.03415	3.2
71.01339	0.1
71.04980	4.8
71.65720	0.1
73.02870	0.5
75.04437	0.4
79.05470	0.1
79.56909	0.1
81.03363	0.4
82.71135	0.1
83.04961	0.7
85.02890	7.9
86.09702	0.1
87.03960	0.1
87.04446	1.6
91.03915	0.5
95.04932	0.2
97.02872	2.9
97.06509	0.1
99.04389	0.3
105.03351	0.1
107.04927	0.2
109.02847	0.2
111.00747	0.3
111.04450	0.5
113.05970	0.1
113.60057	0.1
115.03228	0.1
115.03917	1.9
115.05177	0.1
117.05460	0.1
121.02850	1.9
123.04396	0.1
127.03880	0.7
129.05458	1.6
133.02858	0.2
133.04932	1.7
137.02280	0.6
139.03937	0.1
139.69307	0.1
145.04880	0.4
147.04382	0.3
147.06496	0.7
149.04388	0.2
149.05865	0.1
151.03819	0.1
153.01791	1.6
157.06400	0.2
161.05931	0.2
163.05916	0.1
165.01802	1.1
170.38553	0.1
171.04337	0.2
171.06519	0.2
173.01408	0.1
177.05411	0.1
183.02826	0.5
184.16512	0.1
185.05905	0.2
195.24757	0.1
205.05034	0.1
207.06525	0.2
213.05426	0.7
225.07619	0.3
231.06462	0.5
241.04886	0.5
243.08597	0.3
258.05167	0.5
259.05963	0.3
261.09668	0.3
269.04309	0.2
283.05777	0.1
286.04495	0.5
287.05438	100.0
288.05768	3.4
299.05521	0.7
300.06366	0.1
301.07004	2.8
303.04697	0.1
311.05472	0.2
325.06967	0.1
329.06558	1.8
353.06476	0.5
383.07596	0.2
397.08939	0.1
400.61356	0.1
415.10272	0.1
419.09595	1.4
429.06171	0.1
431.09714	0.2
449.10718	23.3
450.11038	1.0
463.12265	0.5
549.10431	0.2
577.09595	1.1
581.15015	0.3
595.09558	0.7
611.15613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
67.05494	5.1
69.03421	44.2
69.07057	14.1
70.06591	1.0
70.59423	3.5
70.76415	0.7
71.01343	1.1
71.04982	3.6
73.06554	1.0
75.04455	1.7
77.03913	0.8
79.05481	13.4
81.03408	6.9
81.07051	6.1
83.04967	38.2
83.31041	0.7
85.02894	19.0
85.06501	1.2
87.04454	9.8
87.56519	0.9
91.05456	15.5
93.07030	16.1
95.04950	9.8
95.08594	4.3
97.02879	21.8
97.06517	34.1
98.03211	0.9
99.04441	9.0
101.05996	1.5
101.97638	0.7
103.05434	1.1
105.07014	29.7
107.04941	11.0
107.08572	9.7
109.02847	2.1
109.06502	7.8
111.04410	1.8
113.06041	1.0
115.03917	7.3
115.05437	1.7
115.07550	0.7
117.06992	6.6
119.04951	5.3
119.08554	8.1
121.06481	21.3
121.07305	1.2
121.10125	3.0
123.04414	1.7
125.05972	69.9
126.06324	0.9
127.03898	12.1
128.06204	1.7
129.06982	3.5
130.07794	3.8
131.04913	1.2
131.08540	12.3
133.04938	4.9
133.06474	5.6
133.10123	7.3
135.04393	2.9
135.08017	1.8
135.11674	2.0
137.02356	1.6
137.05972	6.4
139.07527	3.1
141.06961	2.8
142.07759	1.3
143.07011	74.0
143.08614	5.5
144.07402	1.5
144.09351	3.1
145.02841	1.5
145.06450	5.7
145.10101	57.2
147.04402	3.7
147.08009	4.7
147.11671	4.7
149.02339	1.2
149.05989	2.6
149.09587	1.9
151.07527	11.2
153.01717	1.9
154.07774	1.9
155.08539	3.4
157.08647	1.0
157.10118	3.3
158.07237	4.5
159.08018	8.5
159.11670	20.4
161.05962	1.1
161.09607	3.3
161.13234	1.4
163.03946	1.5
163.07532	1.7
163.11160	38.3
164.11461	1.1
167.03416	1.7
167.07098	1.4
167.08498	1.3
169.06474	0.9
169.10118	5.5
171.08035	2.1
171.11679	2.6
172.08823	2.3
173.09595	46.6
174.09941	1.0
175.07492	1.7
175.11174	1.8
177.05490	2.9
177.09146	1.4
177.12717	8.4
178.06172	2.2
179.08600	1.2
182.07242	1.1
183.08070	1.7
185.06032	0.8
185.09612	2.7
187.07573	1.3
187.11159	38.8
189.05492	1.1
189.09087	2.9
189.12746	2.8
191.07022	0.9
191.10645	23.2
193.12117	1.1
195.06351	0.9
197.09554	6.6
199.11107	1.0
201.05405	1.3
203.10638	1.6
205.12212	46.0
206.12543	2.0
207.10150	1.8
209.11668	8.7
211.11192	1.2
213.09091	3.9
215.10646	48.1
216.04137	1.0
216.11133	2.0
217.06926	1.1
221.11707	10.6
223.13364	1.4
229.04831	1.3
233.11696	58.6
234.12105	1.4
251.12749	34.6
252.13167	1.0
255.02887	4.8
269.04419	1.3
269.13788	7.5
274.04471	0.8
283.13068	1.0
287.05417	6.3
299.05356	1.1
300.02621	1.6
301.14276	1.6
303.04971	16.6
303.15829	0.9
313.14279	0.9
315.04926	35.9
316.05484	2.2
320.39236	1.0
329.06628	1.9
329.13828	1.7
330.07248	14.8
331.08090	6.4
331.15295	1.2
341.13913	1.5
345.09637	100.0
346.09836	3.9
349.16275	4.1
359.07553	2.4
359.14774	1.2
377.15857	1.8
395.16940	4.0
413.18018	32.0
414.18198	1.1
545.22125	6.7
667.17975	3.5
679.17548	0.9
697.19647	3.8
859.24371	2.0
873.88293	0.9
889.25647	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	889.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95721	0.2
65.03928	1.0
67.05486	0.4
68.99794	0.5
69.03417	2.0
69.75269	0.3
69.75683	0.8
71.04984	4.5
73.02897	0.3
74.87761	0.2
81.03413	0.6
83.01327	0.3
83.04964	1.0
85.02396	0.4
85.02898	6.6
87.04441	0.6
89.08056	0.2
91.05465	4.7
93.03381	0.7
95.04969	0.4
97.02882	11.6
97.06528	0.2
98.21475	0.2
99.04444	0.3
101.65401	0.2
105.07033	0.2
107.04936	0.6
109.02873	0.6
111.00803	0.5
111.04444	0.8
115.03933	1.0
115.05393	0.2
117.06842	0.2
119.04929	11.7
121.02859	1.0
123.04428	0.3
125.02368	0.2
127.03912	0.6
128.06181	0.2
129.05469	1.8
129.06963	0.2
131.04916	0.3
131.08548	0.6
133.04985	0.2
135.04443	0.3
137.02332	2.8
137.05931	0.2
141.07001	0.4
144.05704	0.4
145.06534	0.2
147.04391	57.7
148.04726	0.6
149.02351	1.0
151.03969	0.3
153.01790	2.5
155.04877	0.3
157.06480	0.5
158.07251	0.2
159.04355	0.2
159.08037	2.8
161.05946	0.3
163.03929	0.4
165.01814	1.6
165.05453	0.8
166.02635	0.2
167.03392	3.3
169.05183	0.2
169.06447	1.0
171.06551	0.3
171.07961	0.4
173.05969	0.5
177.05472	0.4
179.03241	0.2
179.07060	0.3
179.52376	0.2
181.04852	0.2
183.02873	0.6
183.04300	0.2
185.05960	0.5
187.03929	0.3
187.07489	1.5
189.05428	0.3
194.02116	0.2
197.05988	1.1
199.06052	0.2
201.05493	1.1
207.06451	0.3
213.05704	0.2
215.06978	1.8
219.06523	0.2
225.07571	0.7
229.04964	3.6
231.06531	0.4
243.06508	1.0
243.08678	0.6
247.05991	0.6
257.04465	2.3
261.07495	4.9
274.04657	0.8
275.09039	0.5
279.08591	1.0
285.03891	1.2
291.08563	0.9
293.10071	0.6
301.07062	0.4
303.04956	100.0
303.72812	0.2
304.05252	2.4
309.09686	1.0
315.04938	0.7
327.04739	0.2
345.05936	0.8
345.09827	0.4
366.25607	0.2
402.35989	0.2
407.13480	0.3
435.09348	0.3
449.10883	0.3
465.10049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81092	0.1
63.02343	0.1
65.03920	0.5
67.05489	0.2
68.99780	0.3
69.03421	2.4
69.87896	0.7
71.01322	0.3
71.04980	5.2
73.02898	0.4
75.04454	0.3
77.03919	0.1
79.05478	0.1
81.03416	0.9
81.07031	0.1
83.01315	0.2
83.04967	1.2
85.02892	8.5
87.04465	0.8
91.05469	4.8
93.01824	0.1
93.03402	0.4
95.04958	0.4
97.02878	3.2
97.06516	0.2
99.04436	0.5
101.02332	0.2
107.04917	0.3
109.02824	0.7
109.06483	0.2
109.78858	0.1
111.00766	0.7
111.04429	0.9
113.05995	0.1
115.03916	1.5
117.05475	0.2
119.04922	12.0
120.05227	0.1
121.02843	0.8
123.04414	0.3
125.02397	0.1
127.03889	0.9
129.05464	1.9
129.06898	0.1
131.04901	0.1
133.04968	0.6
133.06493	0.2
135.04375	0.2
137.02310	2.6
137.05931	0.2
139.03873	0.2
143.07018	0.2
145.02838	0.2
145.04942	0.4
145.06430	0.2
145.36673	0.1
147.04384	68.2
148.04732	0.9
149.02327	0.5
149.04402	0.2
151.03894	0.2
153.01801	3.0
153.05354	0.2
155.04880	0.1
161.05957	0.4
163.03859	0.8
165.01810	1.6
165.05450	2.7
166.02617	0.2
167.03386	0.2
171.06474	0.4
171.07813	0.1
173.05997	0.3
177.05470	0.2
183.02881	0.8
184.13522	0.1
185.06021	0.2
187.03946	0.3
187.07481	0.1
189.05504	0.1
191.03410	0.2
195.02937	0.2
199.05893	0.1
201.05432	1.4
203.06963	0.1
205.04643	0.1
207.06503	0.2
215.07005	0.1
219.02930	0.2
219.06578	0.3
225.07574	0.5
228.04190	0.2
229.04930	3.3
229.07198	0.2
231.06448	0.2
239.03296	0.2
243.08586	0.4
247.06001	0.6
257.04379	2.4
261.07263	0.2
261.09821	0.5
274.04681	0.8
275.05402	0.3
275.09070	0.5
279.08524	0.3
283.61835	0.1
285.03931	1.3
285.07034	0.2
287.05420	1.1
291.08655	0.8
293.10110	0.7
303.04938	100.0
304.05292	2.1
309.09641	3.0
309.51196	0.1
315.04996	0.5
345.05927	0.8
345.09531	0.2
362.89691	0.1
411.06635	0.1
435.09348	0.7
449.10144	0.2
455.15045	0.2
465.10391	0.1
547.67737	0.1
593.12689	0.6
611.13861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	10.7
67.05145	7.0
67.05496	100.0
67.05852	8.2
67.32278	3.5
69.03416	11.2
69.07059	32.3
70.06568	4.4
71.04969	15.6
73.06541	3.7
79.05483	70.5
81.03407	18.7
81.07044	93.7
83.04942	12.0
83.08602	17.2
84.04473	11.8
85.02880	10.2
85.06539	5.8
89.03928	4.3
91.05467	62.4
93.03383	7.3
93.07035	64.3
95.04927	19.9
95.08585	38.1
97.02876	53.4
97.06538	20.5
97.10153	13.8
98.20665	7.1
99.08058	4.0
105.07006	50.2
107.04928	14.2
107.08582	46.7
109.02869	4.1
109.06470	8.7
109.10139	47.0
109.81834	3.5
111.08079	8.6
115.05430	4.5
117.03342	11.7
117.07008	24.6
117.70345	3.6
119.08571	39.8
121.02896	4.7
121.06480	10.3
121.10131	23.6
123.08035	7.4
123.11673	7.1
125.09577	6.0
127.03899	4.0
129.06956	11.7
130.07713	3.7
131.08534	32.7
133.10100	31.4
135.08022	8.3
135.11720	19.8
137.09601	8.0
141.06908	9.0
143.08537	11.8
145.02826	46.4
145.06451	4.3
145.10100	27.3
147.08087	6.6
147.11641	16.2
149.02306	6.2
149.05965	5.9
149.09581	15.1
149.13213	17.4
155.08469	5.1
156.00508	4.4
157.06473	6.9
157.10072	8.6
159.11708	19.8
161.13245	5.2
163.11171	8.6
167.03386	22.5
169.10107	8.2
171.11620	6.1
173.09587	4.9
173.11702	10.5
173.13126	6.2
177.05435	85.5
177.12692	7.4
183.11589	5.1
185.13206	4.7
187.14821	5.1
189.08939	5.9
189.11174	6.9
195.11852	3.4
195.13806	6.2
197.13260	5.1
199.07529	6.9
217.08699	4.6
227.12715	12.8
229.14218	22.0
229.97701	4.0
245.08125	8.3
247.20511	4.1
257.19052	6.7
269.17426	19.8
273.07529	4.6
275.20087	43.2
291.08588	13.3
309.09604	3.8
349.23599	38.3
409.25916	4.7
413.21674	5.1
423.27390	31.0
445.29474	9.4
449.28925	9.7
463.30325	16.5
503.33313	12.2
517.80493	4.0
525.35291	12.5
529.35553	3.9
543.36719	41.9
561.37402	8.0
575.38275	5.4
607.34833	8.9
623.42462	6.9
665.40546	4.8
888.52722	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	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.7
67.05145	1.0
67.05499	15.2
69.03421	2.7
69.07060	7.3
70.06133	0.9
70.06552	2.6
71.04989	2.4
71.08625	15.7
71.09018	0.8
73.02914	2.1
79.05489	9.6
80.29214	0.7
81.03412	26.3
81.07051	19.5
83.04978	5.2
83.08614	14.1
85.02898	17.8
85.06532	1.0
85.10173	8.9
87.04469	1.0
89.06064	0.6
91.03948	4.5
91.05471	14.1
93.07038	7.9
94.04237	0.6
95.04954	10.0
95.08599	13.6
97.02874	5.5
97.06535	1.8
97.10171	4.5
98.85010	0.6
99.11706	0.7
103.07556	0.9
105.07026	9.5
107.04939	3.6
107.08581	3.2
109.02898	1.2
109.06497	2.3
109.10151	6.8
111.04408	0.7
111.08076	4.3
113.06016	1.3
115.05463	0.9
117.06999	0.7
119.08586	8.2
119.88342	0.6
120.31994	0.7
121.06496	0.6
121.10161	3.5
123.08069	1.1
123.11693	2.9
126.15089	0.6
127.03936	1.4
129.06970	5.2
131.08557	5.7
133.06413	1.1
133.10112	6.3
137.13310	1.0
142.07750	1.6
145.04977	2.2
145.10190	1.0
147.08064	1.5
147.11674	6.5
149.09607	2.0
157.10089	7.0
163.06047	2.2
165.12738	1.6
175.11188	6.4
184.66725	0.6
193.12225	18.0
211.11259	1.2
211.13274	22.8
239.23700	1.0
257.24802	0.8
267.15933	13.3
285.16937	32.6
286.17487	0.9
313.27341	66.6
314.27609	1.6
400.32333	0.7
412.28506	0.6
505.38876	17.4
506.39426	1.1
523.39923	100.0
524.40198	5.5
627.48065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	0.7
67.05494	13.1
69.03429	2.4
69.07059	6.5
71.04977	2.6
71.08617	13.5
73.02898	2.3
78.74644	0.3
79.05478	9.9
81.03405	29.1
81.07043	16.3
83.04971	6.5
83.08606	15.8
85.02891	19.7
85.06488	1.2
85.10171	9.2
87.04408	0.5
89.05998	0.9
91.03458	0.4
91.03947	5.4
91.05466	14.3
93.07035	7.9
95.04954	12.3
95.08589	13.1
96.08928	0.3
97.02875	7.2
97.06483	1.5
97.10157	4.8
99.04441	1.0
99.08044	1.0
99.11703	0.6
103.05419	0.4
103.07522	0.8
105.06354	0.6
105.07011	9.3
107.04959	3.1
107.08047	0.3
107.08578	3.1
109.06512	2.4
109.10147	6.2
111.04391	1.1
111.08061	5.7
111.11674	0.7
113.05929	1.0
115.03934	0.4
115.05459	0.6
115.07555	0.4
117.06893	0.4
119.04880	0.5
119.07748	0.4
119.08560	8.6
121.06468	1.1
121.10131	4.8
123.08022	1.5
123.11683	2.5
125.09630	0.7
127.03923	2.1
128.06111	0.4
129.06990	5.4
131.08534	5.7
133.06465	1.0
133.10103	6.1
137.09578	0.7
137.13196	0.9
142.07733	1.4
145.04951	2.4
145.10039	0.7
147.08006	1.2
147.10591	0.5
147.11658	7.6
149.09601	3.1
157.10115	7.4
163.06004	2.4
163.11200	0.5
165.12689	1.3
175.11160	8.6
193.12215	25.9
194.12508	0.5
201.24995	0.3
211.13261	42.8
212.13649	0.6
213.06253	0.4
239.23575	1.0
239.33057	0.3
249.14803	0.6
251.26410	0.4
257.24658	1.1
267.15863	15.9
285.16919	60.6
286.17258	1.0
313.27307	62.7
314.27640	1.9
505.38806	14.1
523.39868	100.0
524.40179	4.3
656.25220	0.5
658.47272	0.4
825.74896	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	888.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05153	2.6
67.05494	43.2
69.03397	4.8
69.07047	14.9
71.01307	1.3
71.04980	3.9
71.08602	1.5
72.13631	1.3
73.02902	4.1
75.74471	1.5
79.05479	28.4
81.03406	3.2
81.07043	53.5
83.04961	3.8
83.08614	7.8
85.02905	10.5
85.06528	3.1
89.97619	1.3
91.03923	4.8
91.05463	14.2
93.07029	44.3
95.04941	5.8
95.08592	26.6
97.02905	8.1
97.06509	5.0
97.10137	1.5
105.04517	1.5
105.07024	9.8
107.08576	26.2
109.06480	1.3
109.10137	8.5
111.08060	3.6
117.07001	6.2
119.08583	7.6
121.10128	16.4
123.11683	2.8
127.03890	3.3
131.08530	7.7
133.10118	6.5
135.11679	11.1
145.04985	1.6
145.10104	4.0
147.11676	4.2
149.13222	15.4
159.11662	6.4
161.13252	3.3
173.13150	1.9
177.12741	2.9
195.13737	4.6
213.14774	2.1
229.25543	1.8
243.21068	1.8
259.07410	1.5
261.22159	7.2
269.14465	2.2
269.17429	44.8
291.19519	2.0
335.25742	49.6
336.26123	2.9
389.26773	1.6
417.71881	1.5
529.38818	100.0
530.39203	8.7
547.39728	1.7
632.25061	1.7
888.49854	44.2
889.48981	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	882.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
66.37673	0.5
67.05493	9.4
67.20042	0.6
69.03414	2.3
69.07058	4.2
69.53613	3.2
71.04978	1.8
71.08256	0.7
71.08620	10.3
73.02914	1.4
79.05479	5.2
81.03406	27.7
81.07044	12.3
83.04967	4.5
83.08610	12.5
85.00895	0.4
85.02892	12.6
85.03397	0.9
85.10175	6.6
91.03951	3.0
91.05472	8.3
93.07034	4.4
95.04958	9.6
95.08595	11.4
97.02885	3.6
97.06504	1.6
97.10158	3.4
98.21449	1.0
99.08095	0.6
99.11695	0.6
105.07003	5.2
106.73010	0.4
107.04939	2.0
107.08583	2.2
109.06490	1.4
109.10135	4.1
111.04412	1.0
111.08055	4.1
111.11685	0.5
113.06003	1.0
115.05431	0.7
119.08561	4.8
121.10138	3.3
121.78519	0.4
123.08057	1.1
123.11686	1.7
125.09666	0.7
127.03874	0.8
129.06987	3.9
131.08562	2.7
133.06465	1.0
133.10112	3.8
135.11615	0.4
137.09573	0.7
142.07716	1.0
145.04956	1.1
145.10095	0.5
147.08052	0.8
147.11664	5.3
149.09607	2.4
153.39626	0.4
157.10121	5.3
163.06023	0.9
165.12741	1.3
173.13158	0.5
175.11163	6.3
193.12218	19.1
211.13261	24.9
212.13698	0.7
237.72777	0.5
239.23627	1.1
246.01186	0.4
248.69106	0.5
257.24789	0.9
267.15857	7.3
283.15256	0.5
285.16922	24.3
286.17322	0.6
295.77927	0.5
313.27325	33.3
314.27728	1.8
415.76190	0.5
429.21884	0.6
489.92386	0.5
505.38773	7.0
523.39880	100.0
524.40338	5.9
667.44629	0.5
916.80182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.2
67.05497	9.3
69.03402	1.0
69.07056	5.2
71.04987	0.8
71.08622	13.8
71.58588	0.7
73.02872	1.5
77.03939	0.4
79.05479	10.4
81.03382	1.1
81.07047	14.3
83.04937	1.6
83.08609	8.7
84.40544	0.4
85.02901	3.2
85.09700	0.8
85.10166	8.5
88.16207	0.4
89.05982	1.0
91.03910	1.5
91.05464	3.5
93.06465	0.8
93.07031	16.8
95.04955	2.8
95.08593	28.0
97.02876	3.7
97.06486	2.0
97.10146	3.1
99.04414	2.1
99.07993	0.4
99.11694	0.7
103.07561	0.9
105.07010	3.1
107.04946	4.1
107.08580	13.9
109.02868	0.6
109.06483	1.0
109.10146	5.7
111.04384	1.0
111.08056	0.7
117.07010	4.5
119.07911	0.5
119.08566	6.2
121.06465	2.8
121.10134	8.4
123.11719	2.1
125.05935	1.7
127.03886	1.0
130.07770	1.1
133.10080	1.8
135.08002	1.1
135.11674	32.0
136.11955	0.5
137.13205	0.8
139.07532	1.1
145.04985	0.5
145.10103	16.8
146.10464	0.7
153.12700	0.7
160.39630	0.4
163.05910	0.8
163.11163	46.2
164.11398	0.9
181.12224	7.9
182.05319	0.5
183.36746	0.4
185.02916	0.4
206.48367	0.5
209.11714	0.9
227.12752	52.5
228.13072	0.8
239.23648	1.8
257.24692	1.5
283.15359	86.8
284.15695	2.0
313.27319	84.8
314.27747	3.1
367.10568	0.5
466.78195	0.6
521.38306	100.0
522.38654	4.2
738.13269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.2
65.03940	0.9
67.05498	10.9
69.03418	6.0
69.07062	7.2
70.06574	1.0
71.01340	4.4
71.04987	8.0
71.08611	0.6
71.66100	0.6
73.02909	6.2
75.04484	1.9
79.05482	6.6
81.03415	3.1
81.07047	12.6
82.07383	0.9
83.04967	3.5
83.08610	4.3
85.02895	23.6
85.06527	0.4
86.03192	0.5
87.04451	0.9
91.03960	1.7
91.05463	6.1
92.05824	0.8
93.07037	8.9
95.01327	0.7
95.04968	1.9
95.08594	16.9
96.08947	1.6
97.02882	9.1
97.06551	0.5
97.10153	2.5
99.04462	1.7
99.08061	0.4
101.02353	5.4
101.02851	0.4
102.02710	0.9
103.03908	0.6
105.07025	6.8
107.04941	0.9
107.08580	11.8
108.08933	0.8
109.02882	0.7
109.06539	1.4
109.10148	15.1
110.10509	1.2
111.04448	1.9
111.08076	0.5
111.11733	0.9
113.02389	0.7
115.03924	2.7
117.05436	0.6
117.07011	2.5
119.08563	11.7
119.09407	0.6
120.08911	0.8
121.06488	0.6
121.10129	8.8
122.10479	0.7
123.04330	0.5
123.08074	0.7
123.11694	4.2
125.09621	0.8
127.03894	2.5
129.05470	3.8
129.07007	0.9
131.08556	2.6
133.04897	0.5
133.10117	8.4
134.10442	0.9
135.08124	0.6
135.11681	6.2
136.07547	0.5
136.12021	0.9
137.13254	1.4
141.01790	3.5
143.08585	0.6
145.04951	8.5
145.10124	4.5
146.05330	1.6
146.10912	0.5
147.06555	1.5
147.11671	7.3
149.13220	3.4
150.13678	0.7
154.70363	0.5
157.04967	0.7
157.10147	0.9
159.02901	1.0
159.11693	4.0
160.12088	0.6
161.13243	5.4
162.13655	0.8
163.14835	3.0
171.11723	0.9
173.11865	0.7
173.13278	2.0
175.14778	2.8
177.05464	1.0
177.16385	4.8
178.16727	1.0
187.14832	2.5
189.16368	8.7
190.16751	2.0
191.17940	7.3
192.18321	1.9
199.14764	0.5
201.16328	5.2
203.17947	6.8
204.18318	1.0
205.19481	2.5
207.17581	0.7
208.17860	0.5
213.16449	0.6
215.17924	3.1
217.19508	5.3
218.19823	1.1
219.21106	0.7
225.07547	1.3
227.17943	0.8
229.19377	2.9
231.21077	2.2
243.08371	3.4
243.21179	1.5
245.22720	0.9
255.21141	1.2
257.22675	2.3
269.22693	1.2
271.24350	1.1
283.24283	0.6
291.19638	0.8
297.25851	1.7
306.88467	0.5
333.20660	1.4
351.21536	2.0
407.24158	0.8
407.36679	11.3
407.41925	0.7
408.37033	3.0
409.37518	1.4
425.37845	1.1
426.38242	1.2
427.38760	0.5
439.19327	0.9
453.21262	0.7
520.33740	1.5
551.28082	5.3
569.29187	5.7
623.30231	0.8
879.50616	100.0
880.50922	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	877.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.3
66.61256	0.7
67.05476	2.7
69.03410	1.8
69.07050	2.0
69.91421	4.2
70.06555	1.6
71.05003	1.2
79.05485	4.9
80.05011	0.9
81.03387	3.7
81.07034	3.6
82.06555	0.9
83.04961	1.8
83.08634	1.1
85.02849	1.6
86.09678	1.3
91.05461	5.4
93.05724	1.5
93.07027	7.4
94.06559	5.6
95.04951	3.7
95.07360	4.1
95.08574	2.6
96.08120	11.4
96.36040	0.9
97.02856	1.7
97.06498	2.3
98.20804	1.8
103.05453	1.3
105.07002	2.1
107.08594	1.6
108.08098	9.8
109.02850	1.5
110.09658	18.6
111.04346	1.1
119.08596	2.1
120.08086	9.8
121.06426	1.1
121.10144	0.8
122.05966	1.8
123.04366	1.8
124.07574	1.5
127.03948	1.4
129.06979	1.0
131.08543	0.9
133.10103	1.4
134.71820	0.8
136.07542	6.1
137.05952	2.3
138.09116	20.5
145.02844	2.0
147.04315	1.5
147.11658	1.4
148.07523	4.0
150.09178	1.2
151.03802	1.3
152.07100	1.0
163.03876	4.9
166.08623	20.1
177.05469	3.2
189.80910	0.9
191.03360	7.3
193.12352	1.1
207.02861	12.6
207.64272	1.0
217.05206	1.0
221.04495	1.6
223.02394	1.0
225.10126	1.0
226.11028	0.9
227.11794	1.0
235.02362	3.2
235.08635	2.5
236.09396	1.5
237.10239	4.1
238.10965	2.8
239.11766	3.6
248.09425	3.0
249.10202	13.2
250.11008	6.8
251.09012	1.0
251.11728	9.9
261.10114	3.6
262.11002	2.3
263.08777	1.6
263.11740	24.6
263.14383	1.7
264.08759	1.0
264.12424	2.7
265.09760	5.5
265.13266	6.1
265.15753	1.2
266.10330	0.9
267.11209	1.8
275.11792	1.9
276.08932	1.1
277.09726	4.5
278.10516	4.0
279.11246	18.8
281.09491	0.8
281.12842	4.8
282.10083	1.0
283.10690	2.6
285.12302	1.7
287.05493	1.3
289.09705	6.1
291.11267	18.7
292.11932	4.3
293.09409	1.4
293.12778	8.4
295.10776	4.0
296.11453	2.5
297.12259	3.7
303.11041	1.5
305.09103	1.9
307.10693	7.3
309.12292	10.2
311.13849	3.3
315.04846	3.7
316.05768	0.9
317.09274	1.8
319.10651	10.8
323.10126	2.5
323.13736	2.0
325.11801	7.0
335.10281	4.1
336.10840	1.6
337.11761	53.3
338.11935	1.7
345.09595	9.2
353.12723	1.0
355.12781	7.2
356.35806	1.0
357.14410	22.4
365.12955	1.2
367.12833	5.0
369.14624	9.7
370.15308	1.1
381.12222	1.0
386.18475	1.1
386.24841	0.9
393.12216	1.6
395.09833	1.0
395.14493	1.5
396.11057	1.7
397.11792	2.1
403.19022	2.2
408.10660	1.2
409.11752	3.4
410.12549	1.1
411.13474	2.7
412.10239	1.4
413.10846	1.5
423.13699	1.8
424.10394	1.5
425.11197	5.9
426.11932	3.0
427.12759	2.1
437.05975	0.9
437.10941	4.2
438.12125	2.5
439.07993	1.0
439.12985	12.5
440.12949	1.2
441.10342	1.4
442.17194	1.1
443.12869	1.1
444.19284	1.3
451.12921	2.1
452.13730	1.0
453.10651	3.0
454.11661	1.6
455.12238	1.9
460.18347	2.1
465.10675	3.0
467.12363	17.0
468.12823	1.3
469.13986	1.2
475.27786	0.9
476.22144	1.2
478.20078	1.3
479.12012	3.5
481.13904	1.9
483.11703	2.9
484.12463	1.0
485.13214	3.8
488.18112	4.6
489.18430	1.5
490.19714	11.4
495.11798	1.1
497.13217	5.8
507.11624	2.1
509.12994	1.6
513.12604	6.3
515.14374	3.1
520.20734	36.3
521.21478	4.6
522.22284	100.0
523.22498	7.0
525.12750	7.5
527.14502	12.8
528.14276	1.7
545.15472	14.0
557.15845	4.3
569.11652	1.4
589.13733	1.4
591.16156	11.2
592.15717	1.2
603.15973	2.9
627.20874	1.0
629.29401	1.3
643.26917	2.5
660.19202	1.2
678.20746	7.1
679.20959	2.4
680.21521	2.9
696.21161	1.9
710.23322	23.2
711.22791	2.5
722.19525	1.6
754.21960	6.3
755.23163	3.0
756.23798	39.1
757.23590	3.3
808.60968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.7
68.99790	0.2
69.03421	5.7
71.60311	0.1
73.02879	0.3
75.04449	0.2
79.05444	0.2
81.03423	0.4
85.02893	4.0
87.04455	2.9
91.03951	0.5
95.04917	0.2
97.02879	4.2
98.03172	0.1
99.04401	0.3
101.02340	0.1
105.03349	0.1
107.04903	0.2
109.02827	0.2
111.00773	0.3
111.04394	0.2
115.03919	3.7
117.05459	0.2
121.02853	1.9
123.04395	0.1
125.02296	0.1
127.03899	0.9
131.03345	0.2
133.02824	0.5
133.04950	4.1
135.04349	0.2
137.02368	0.5
139.03876	0.5
140.08353	0.1
145.04921	0.6
147.04375	0.4
149.04379	0.1
153.01802	1.8
157.04936	0.3
157.06450	0.2
161.02391	0.1
161.04384	0.1
161.05902	0.1
163.06015	0.1
165.01816	0.9
169.04971	0.2
171.04385	0.2
175.05997	0.1
183.02939	0.4
185.05949	0.2
189.05441	0.1
193.05025	0.1
199.03857	0.1
199.05898	0.1
211.05971	0.3
213.05435	0.6
229.07021	0.7
231.06427	0.5
241.04890	0.4
241.07083	0.1
242.05684	0.1
245.04488	0.1
247.08089	0.3
258.05209	0.6
259.05939	0.3
259.08270	0.2
265.09109	0.3
269.04373	0.2
277.37872	0.1
287.05457	100.0
288.05786	2.8
295.10306	0.1
299.05405	0.9
300.06128	0.2
311.05499	0.3
325.06964	0.2
329.06528	2.1
330.06754	0.1
337.06927	0.1
353.06665	0.3
371.07642	0.2
383.07581	0.4
391.42288	0.1
401.08875	0.1
419.09717	2.1
431.09409	0.2
449.10742	22.6
450.11069	0.7
501.93179	0.1
581.14636	0.3
746.41046	0.1
782.00439	0.1
900.34259	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	875.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.5
65.03910	0.1
68.99748	0.1
69.03417	3.1
71.32128	0.1
73.02881	0.2
75.04436	0.1
81.03365	0.2
85.02886	2.1
87.04453	1.6
91.03903	0.2
93.03358	0.2
95.04929	0.2
97.02878	2.1
109.02850	0.1
111.04383	0.1
115.03909	1.9
115.05365	0.1
121.02846	1.6
123.04361	0.2
127.03858	0.2
133.04935	1.6
135.07936	0.1
137.02315	4.4
138.02626	0.1
139.03810	0.1
145.04897	0.2
147.04404	0.1
149.02312	2.0
150.02950	0.1
157.06430	0.3
161.05919	0.1
163.03850	0.1
167.03392	0.3
171.04408	0.1
175.07567	0.1
179.03319	0.2
185.05954	1.3
189.05469	0.1
191.03343	0.1
197.05902	0.2
203.07013	0.4
212.04428	0.1
213.05414	3.5
214.05850	0.1
215.07191	0.1
216.04233	0.1
217.04950	0.1
223.03992	0.1
230.05586	0.1
231.06448	1.6
241.04900	2.3
241.07339	0.1
258.05246	0.5
259.05933	0.3
269.04410	1.0
270.05225	0.1
286.04858	0.1
287.05438	100.0
288.05777	2.5
288.09030	0.1
419.09924	0.1
425.62500	0.1
449.10715	23.8
450.11072	0.6
494.16647	0.1
524.51135	0.1
581.14929	5.7
582.15411	0.2
733.64093	0.1
743.19641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99368	0.4
64.77709	0.6
65.57542	0.6
68.85492	0.5
69.03414	2.5
70.06580	0.6
71.04980	5.0
71.66366	0.7
81.03384	1.0
83.04958	1.1
85.02889	6.6
86.09714	0.6
87.04427	0.7
91.05468	5.4
97.02877	4.0
107.04925	0.6
109.02818	0.5
111.04393	0.9
115.03924	1.6
119.04060	0.6
119.04929	12.6
121.02845	2.0
127.03915	0.9
129.05438	1.7
133.04951	0.6
137.02362	0.8
145.02867	0.8
147.04385	58.1
148.04724	0.6
153.01797	3.5
155.60303	0.5
157.06453	0.9
165.01825	1.1
165.05450	1.0
177.05489	1.5
183.02837	0.6
189.05534	0.6
201.05533	0.7
207.06438	1.1
213.05379	1.1
220.18112	0.5
221.53412	0.5
231.06480	0.6
241.04877	0.8
258.05194	1.0
275.08960	0.6
279.08487	0.6
287.05457	100.0
288.05759	3.8
291.08484	1.3
293.10303	0.9
300.98651	0.6
309.09641	1.0
329.06412	0.5
344.53366	0.6
345.09702	1.3
361.09344	0.9
403.95038	0.5
579.10822	0.8
634.07446	0.5
689.45966	0.7
769.88550	0.7
802.55292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99368	0.4
64.77709	0.6
65.57542	0.6
68.85492	0.5
69.03414	2.5
70.06580	0.6
71.04980	5.0
71.66366	0.7
81.03384	1.0
83.04958	1.1
85.02889	6.6
86.09714	0.6
87.04427	0.7
91.05468	5.4
97.02877	4.0
107.04925	0.6
109.02818	0.5
111.04393	0.9
115.03924	1.6
119.04060	0.6
119.04929	12.6
121.02845	2.0
127.03915	0.9
129.05438	1.7
133.04951	0.6
137.02362	0.8
145.02867	0.8
147.04385	58.1
148.04724	0.6
153.01797	3.5
155.60303	0.5
157.06453	0.9
165.01825	1.1
165.05450	1.0
177.05489	1.5
183.02837	0.6
189.05534	0.6
201.05533	0.7
207.06438	1.1
213.05379	1.1
220.18112	0.5
221.53412	0.5
231.06480	0.6
241.04877	0.8
258.05194	1.0
275.08960	0.6
279.08487	0.6
287.05457	100.0
288.05759	3.8
291.08484	1.3
293.10303	0.9
300.98651	0.6
309.09641	1.0
329.06412	0.5
344.53366	0.6
345.09702	1.3
361.09344	0.9
403.95038	0.5
579.10822	0.8
634.07446	0.5
689.45966	0.7
769.88550	0.7
802.55292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.6
65.03932	5.3
67.05495	100.0
68.05830	2.4
69.03424	6.7
69.06687	2.1
69.07057	35.8
70.06553	1.1
70.83379	3.4
71.01335	3.1
71.04989	10.8
73.02896	1.8
77.03918	1.2
79.05482	62.9
80.05814	2.0
81.03400	12.7
81.07045	90.1
81.35173	1.2
83.04967	11.8
83.08611	22.5
84.08900	1.5
85.02899	10.2
85.06528	3.2
87.04465	1.4
91.05466	53.9
93.07029	62.3
94.07348	1.8
95.04949	12.5
95.08591	39.6
96.08920	1.4
97.02872	4.1
97.06522	17.8
97.10152	16.2
99.04446	2.0
99.08079	4.3
101.02354	2.1
103.05431	1.9
105.04553	1.5
105.07017	44.1
107.04943	11.4
107.08577	50.1
108.08871	2.5
109.02880	3.1
109.06491	10.5
109.10136	40.3
111.04413	1.8
111.08057	6.0
115.05459	2.6
117.07000	22.4
119.08562	35.5
120.08910	1.9
121.06486	5.8
121.10125	25.9
123.08046	4.9
123.11690	7.2
124.94360	1.1
125.09611	13.6
126.63075	1.3
127.03867	5.4
128.06163	1.7
129.05460	3.4
129.06953	7.9
130.07770	1.3
131.08539	28.5
133.06459	2.7
133.10112	33.9
134.10458	1.3
135.08040	7.0
135.11664	14.6
136.06161	4.7
137.09608	6.1
137.13231	2.2
139.11172	1.7
140.39590	1.2
141.06989	3.7
142.07776	1.6
143.08527	7.3
145.04932	6.8
145.06395	1.8
145.10120	21.0
146.10550	1.5
147.08035	2.6
147.11662	17.7
148.12061	1.3
149.09607	13.4
149.13242	14.1
151.07567	1.4
151.11140	3.8
153.09073	2.2
155.08530	3.8
157.10091	7.7
159.07996	2.1
159.11684	19.0
161.09607	2.8
161.13243	9.0
163.11177	10.7
163.14764	1.8
165.12788	3.4
169.10098	4.5
171.10384	1.4
171.11584	6.2
173.09563	2.3
173.11700	5.3
173.13232	7.3
175.11137	3.5
175.14792	2.0
177.12708	5.7
177.16302	2.0
179.14256	3.7
181.12213	2.2
183.11664	4.8
185.13284	3.9
187.11090	1.7
187.14740	2.1
189.11223	7.8
189.12720	1.7
189.16403	3.4
190.16672	1.1
191.14177	1.3
191.17923	2.8
193.08679	1.2
195.11964	1.2
195.13753	6.5
197.13246	3.1
209.13391	1.6
211.14819	1.6
215.14272	1.3
217.15916	1.9
217.19429	2.2
227.12755	15.0
229.14326	18.6
229.19478	2.6
239.17923	3.7
247.20517	2.0
255.15788	7.1
257.15430	1.2
257.16269	1.4
257.19022	14.1
262.16696	1.2
267.15979	3.2
269.17422	32.7
273.09723	1.8
273.18372	1.4
274.09851	1.4
275.20016	59.6
276.20398	2.9
291.19550	1.5
293.21005	8.1
299.23691	1.1
315.04889	1.2
331.22672	3.9
341.35373	1.1
345.09491	3.7
346.10104	2.0
349.23676	47.1
350.23926	2.1
353.24750	1.4
365.23196	1.2
367.24728	12.4
395.20477	1.3
407.36664	3.2
408.37003	3.1
409.25836	6.3
413.21631	2.4
423.27390	22.5
433.30789	1.8
445.29501	2.5
449.28922	9.9
451.31979	2.7
463.30527	24.5
464.30933	2.2
469.32956	1.9
489.28320	1.4
503.33603	19.0
511.28644	1.4
519.32751	1.4
521.34619	4.8
525.35504	5.7
529.35278	6.9
543.36780	43.3
544.36963	3.9
547.35742	1.9
561.37585	10.7
583.40125	2.0
584.39960	2.4
607.34204	2.8
623.42877	13.0
641.43896	8.2
659.44489	1.6
687.40631	1.9
803.48682	1.4
835.48755	1.3
875.48077	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	873.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.6
71.04285	0.3
78.20911	0.1
85.02887	0.4
87.04475	0.3
97.02874	0.1
115.03895	0.2
119.01286	0.3
121.02847	0.2
133.04987	0.2
135.04376	0.1
142.90384	0.1
157.00668	0.1
175.03867	0.1
177.05426	0.3
189.01822	0.2
190.45087	0.1
191.03424	0.1
205.05026	0.3
207.03055	0.1
241.04994	0.2
268.03745	0.5
269.04498	0.2
281.04327	0.1
293.04385	0.1
295.02274	0.1
295.05933	0.2
296.03156	0.2
297.04007	0.5
297.07095	0.2
298.04449	0.1
303.06387	0.1
307.05994	0.1
309.03845	0.3
310.04889	0.2
311.05420	0.4
312.06323	0.4
313.07193	0.2
317.77933	0.1
318.05136	0.1
319.05872	0.1
322.04803	0.3
323.05566	0.3
325.07312	0.2
331.05807	0.2
332.06876	0.1
333.07568	0.1
335.05649	0.2
336.06354	0.1
337.03262	0.2
339.05194	0.2
343.06104	0.2
347.05490	1.1
347.36526	0.1
348.06149	0.4
351.08856	0.2
352.05801	0.3
356.06787	0.2
357.07602	0.4
359.05438	0.2
360.06238	0.3
361.07184	0.2
363.05069	0.2
363.08731	0.3
364.05722	0.1
365.03012	0.4
371.05347	0.2
372.06229	0.3
373.07162	0.4
375.08725	0.2
379.08493	0.3
384.06213	0.2
385.06888	0.8
387.04611	0.2
387.08893	0.2
388.05750	0.2
389.06610	0.3
390.03912	0.1
391.03989	0.5
392.05313	1.0
399.04672	0.2
399.09305	0.2
400.05283	0.1
401.06152	0.2
402.07312	0.2
403.03610	0.1
403.08115	0.5
404.04889	0.2
406.06729	0.2
407.07788	0.6
412.05478	0.1
413.06445	0.8
414.07236	0.2
415.08484	0.2
416.05209	0.4
417.05838	0.2
419.03894	0.4
420.04742	4.8
421.05301	0.1
423.05276	0.2
427.08105	0.4
429.06036	0.5
429.10602	0.2
430.06909	0.2
431.07596	1.8
432.55313	0.1
433.05585	0.2
433.79245	0.1
434.06223	0.8
435.06985	2.1
439.03955	0.2
441.05984	0.9
442.06891	0.2
443.07599	0.3
444.04581	0.2
445.04388	0.2
445.10226	0.8
446.10037	0.3
450.09430	6.0
451.09375	0.2
455.07410	0.4
456.08395	0.2
457.05466	0.8
458.06036	0.3
459.07086	9.9
460.07724	0.7
461.08630	1.6
469.05417	0.3
471.07108	0.2
472.07806	0.2
473.08719	2.1
474.09558	1.3
475.06195	0.5
475.10767	0.4
477.08072	0.5
483.07437	0.2
485.04810	1.0
487.05841	0.5
489.11874	6.0
490.12714	0.3
500.07358	0.2
501.08240	0.4
502.08801	0.2
503.05664	1.1
505.07483	3.9
506.08057	0.2
513.04492	0.5
515.09668	0.3
517.07379	0.7
518.08545	0.3
519.09259	2.1
520.09467	0.3
521.07141	0.3
528.06775	0.2
529.07697	0.2
531.05536	4.7
531.13708	0.2
532.06238	0.3
533.10718	0.2
535.12463	1.5
545.07031	0.4
546.07336	0.3
549.06622	5.0
550.07092	0.3
561.10205	7.8
562.10583	0.6
563.08435	0.5
564.08636	0.2
578.10260	0.6
579.11243	100.0
580.11633	5.5
580.19415	0.1
593.60443	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	875.2439
Annotation	Helieianeoside C
Peak:m/z	Relative Intensity
61.02928	1.1
63.84381	0.2
65.03943	0.2
68.99780	0.4
69.03422	7.9
69.98038	1.0
71.01348	0.3
71.04984	5.4
73.02904	1.0
75.04457	0.6
79.05493	0.2
81.03417	1.4
83.01323	0.3
83.04970	2.3
85.02893	13.2
86.63122	0.2
87.04460	3.3
91.03937	0.8
95.04951	1.0
97.02882	8.1
99.04436	1.4
101.02354	0.6
103.03954	0.2
105.07008	0.2
109.02875	0.5
109.06479	0.3
111.00771	0.8
111.04418	2.1
113.02325	0.3
113.06013	0.4
115.03912	7.2
117.05496	0.4
121.02851	0.8
123.04419	0.5
125.02298	0.3
127.03887	1.5
129.05458	2.3
130.11249	0.2
131.03403	0.3
133.04948	5.0
135.04375	0.3
137.02312	3.2
137.05933	0.4
139.03888	0.6
143.03378	0.2
145.04962	1.2
147.06474	1.5
149.02353	0.5
149.04419	0.9
149.05933	0.2
151.03889	0.3
153.01802	3.0
153.05383	0.4
157.04909	0.7
161.05898	0.3
163.03897	0.6
165.01791	1.8
165.05389	0.2
166.02429	0.2
169.04915	0.2
171.06534	0.9
173.05925	0.4
175.05949	0.3
177.05429	0.3
183.02838	0.6
193.04861	0.3
195.02855	0.3
195.06546	0.3
197.07875	0.2
199.06041	0.3
201.05496	1.4
205.04982	0.2
207.06503	0.5
211.05971	0.4
217.06998	0.2
219.06496	0.3
220.50702	0.2
225.07536	1.1
229.04927	3.2
229.07085	1.4
238.13086	0.2
243.08604	1.4
247.05972	0.5
247.08194	0.5
257.04437	2.3
259.08060	0.2
261.09683	1.9
265.09152	1.1
274.04742	0.8
275.05511	0.3
279.10718	2.3
285.03870	1.1
295.10245	0.5
301.07263	0.2
302.04184	0.2
303.04950	100.0
304.05264	2.0
315.04865	1.7
327.04666	0.4
339.05139	0.2
345.06009	2.3
369.05856	0.7
381.05969	0.2
387.06863	0.2
429.07776	0.3
435.09210	3.7
436.09232	0.2
447.09131	0.3
449.10791	0.4
465.10272	1.8
581.11731	0.2
597.14069	0.5
658.96246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.3
65.03920	0.7
68.99786	0.4
69.03423	2.7
70.16283	0.2
70.16702	0.4
71.01343	0.2
71.04983	4.9
73.02900	0.4
75.04469	0.3
79.05464	0.3
81.03401	0.5
83.01321	0.1
83.04974	1.0
85.02895	7.2
87.04449	1.0
91.05470	4.4
91.06044	0.3
95.04950	0.3
97.02246	0.2
97.02879	3.1
97.06548	0.1
98.20779	0.2
99.04440	0.5
102.04861	0.1
105.03368	0.2
107.04952	0.5
109.02859	0.6
111.00768	0.4
111.04411	0.9
112.91507	0.1
114.05561	0.1
115.03918	1.4
119.04926	11.8
120.05239	0.2
121.02833	2.0
123.04446	0.2
127.03890	0.7
129.05461	1.6
129.06937	0.2
133.02806	0.4
133.04926	0.6
135.04306	0.1
137.02293	0.7
137.05974	0.2
138.15416	0.1
139.03914	0.2
141.06911	0.2
145.02826	0.1
145.04895	0.3
145.06444	0.2
147.04387	63.1
148.04727	1.3
149.04437	0.3
149.05905	0.1
151.03902	0.2
153.01801	2.6
153.05452	0.2
157.04993	0.2
157.06477	0.2
159.08070	0.2
161.05905	0.3
165.01811	1.6
165.05457	2.3
167.48763	0.1
169.06406	0.2
171.04340	0.2
171.06494	0.3
175.03845	0.1
175.14711	0.2
177.05475	0.2
179.06944	0.1
183.02876	0.9
185.05969	0.4
187.07603	0.2
199.29707	0.1
203.07101	0.2
207.06493	0.2
213.05414	1.0
215.06967	0.1
225.07504	0.3
231.06496	0.8
241.04895	0.8
243.08655	0.2
258.05157	0.9
259.06046	0.3
261.09720	0.4
269.04489	0.2
273.07416	0.2
275.09131	0.3
279.08661	0.2
286.04636	0.2
287.05453	100.0
288.05762	3.5
291.08578	0.9
293.10056	0.6
299.05566	0.4
309.09647	2.3
315.05103	0.2
327.04877	0.2
329.06573	0.7
345.09686	0.2
395.07581	0.2
419.09421	0.2
577.13190	0.5
579.11029	0.3
595.14111	0.2
724.20880	0.1
768.05127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.4
65.03932	0.8
67.05469	0.3
68.99791	0.4
69.03423	3.5
69.07060	0.2
69.99771	1.1
71.01354	0.2
71.04984	5.3
75.04465	0.5
79.05471	0.2
81.03419	1.1
83.04984	1.1
84.08190	0.2
85.02895	12.3
87.04469	1.0
91.05465	4.8
95.04957	0.3
96.23943	0.2
97.02881	4.8
97.04115	0.2
97.06496	0.2
99.04439	0.7
105.03379	0.3
107.04925	0.4
109.02866	1.2
111.00815	0.3
111.04446	1.3
115.03947	1.7
117.03330	0.4
117.05515	0.2
119.04929	11.3
119.50475	0.2
121.02849	2.6
121.03656	0.3
123.04422	0.4
127.03893	1.0
129.05470	1.7
133.02783	0.4
133.04951	0.9
133.06422	0.2
137.02319	1.3
137.05962	0.5
139.03934	0.2
141.06978	0.3
145.02838	0.4
145.04951	0.9
145.06436	0.3
147.04390	53.4
148.04724	0.8
149.02316	0.3
149.04576	0.3
149.05954	0.4
153.01819	2.4
157.05075	0.2
157.06480	0.6
163.03815	0.2
165.01830	1.5
165.05484	1.5
171.04349	0.3
171.06525	0.4
177.05441	0.9
179.07182	0.2
183.02887	0.8
185.05995	0.9
189.05408	0.6
197.05922	0.4
207.06589	0.3
213.05481	1.7
215.06882	0.2
225.07652	0.4
231.06528	0.7
241.04942	0.9
243.06436	0.6
243.08655	0.5
258.05347	0.9
259.06003	0.6
261.09686	0.7
269.04410	0.3
279.08481	0.3
287.05460	100.0
288.05792	2.9
291.08682	0.3
293.10165	0.3
299.05457	1.1
309.09717	2.1
329.06592	0.6
341.06802	0.3
353.06516	0.3
365.06335	0.4
377.07086	0.2
383.07846	0.2
395.07742	0.3
431.09799	0.2
449.10687	0.6
579.10938	0.8
595.14142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	9.4
67.05499	100.0
69.03423	41.6
69.07049	22.5
71.04988	8.7
75.62218	4.5
79.05482	97.7
81.03410	44.2
81.07047	84.6
83.04957	14.3
83.08587	10.8
85.02883	39.9
85.06522	6.2
85.49131	4.7
91.05469	80.0
93.06522	7.2
93.07037	86.5
95.04955	35.0
95.08595	65.8
97.02885	38.0
97.06508	5.7
99.04409	9.0
101.02375	5.5
105.07024	50.9
107.04937	10.4
107.08588	35.8
109.02816	11.2
109.06533	5.6
109.10135	23.1
111.04399	5.5
117.07008	21.2
119.08586	30.7
121.06518	6.2
121.10120	23.9
123.08015	6.2
123.11613	6.2
127.03872	19.7
128.06216	6.9
129.06982	23.6
131.08534	24.6
133.06520	9.8
133.10094	14.7
135.11681	12.4
139.33163	5.7
143.08528	19.8
145.06407	9.6
145.10097	22.1
147.08057	7.9
147.11682	33.2
149.13329	5.7
157.10164	5.3
159.08084	8.9
159.11627	14.2
161.13235	14.6
167.08614	5.7
171.08122	6.4
171.11618	18.7
173.04367	11.8
205.22198	5.7
207.13757	21.4
261.22208	7.1
269.15250	8.1
281.17523	32.9
287.16403	14.0
335.25735	92.3
423.78342	5.3
425.21500	9.2
541.38776	97.9
542.38647	10.1
621.41003	10.6
685.43011	7.2
703.43646	7.6
894.95026	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	871.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	3.9
67.05488	18.1
69.07058	6.4
70.06586	9.8
70.67201	9.3
70.95869	7.4
71.08621	13.1
72.08107	5.1
72.93777	12.2
77.33140	3.9
79.05495	10.8
81.03399	7.4
81.07038	17.8
83.08619	5.8
85.10163	6.8
86.09679	6.2
90.94817	13.1
91.05458	7.2
91.39187	4.1
93.07036	10.1
95.08572	15.2
107.08566	5.1
108.95876	5.5
109.10148	6.4
120.73367	5.1
128.96341	3.9
130.04283	4.6
132.95824	13.7
134.97404	5.4
139.89302	4.8
144.95862	4.7
146.97365	10.3
148.98878	5.9
150.96881	13.5
154.94176	6.4
158.97401	9.6
162.96867	8.7
164.98404	31.9
164.99562	3.6
167.34654	3.6
170.97377	4.1
172.95210	24.9
176.98439	8.8
188.98474	4.9
190.96298	14.7
195.96922	3.9
198.96843	35.2
200.98375	8.5
206.99504	6.1
216.97873	14.4
239.99535	5.9
262.93002	17.3
273.00537	6.8
280.94064	15.3
298.95129	18.3
298.98212	6.0
309.00253	4.0
313.27301	56.2
316.99451	5.8
317.17764	12.9
321.96631	4.9
329.11960	6.4
331.13708	8.4
333.15027	100.0
335.18832	6.5
335.25684	33.9
336.96448	5.7
339.61557	4.0
351.16589	5.5
354.97778	8.2
372.98700	42.1
407.18814	18.3
414.01428	6.6
449.19525	6.7
544.49280	4.6
558.41046	5.4
573.48962	8.4
593.21326	7.3
611.21857	54.7
615.18970	33.8
633.20148	50.8
652.23956	11.2
778.15912	4.5
871.45782	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.7
65.03936	4.5
67.05495	100.0
69.03435	11.5
69.06696	3.4
69.07060	52.8
70.06567	2.8
71.04391	1.9
71.05000	15.6
71.21709	3.6
79.05483	74.7
80.05833	2.1
81.03402	18.8
81.07046	88.9
83.04970	17.3
83.08606	28.3
85.02892	5.1
85.06531	5.0
91.05468	57.8
93.06441	3.9
93.07030	66.0
95.01337	2.1
95.04956	20.4
95.08596	40.7
97.02875	10.0
97.06523	39.6
97.10156	19.8
99.04420	3.0
99.08081	5.0
103.05462	2.4
105.07016	52.9
106.83564	1.7
107.04935	20.5
107.08575	46.8
107.09251	3.6
109.02863	3.9
109.06501	16.2
109.10138	49.2
111.08041	11.0
115.05460	4.3
115.07561	9.1
117.07001	24.7
118.40261	1.7
119.08560	34.3
121.06505	8.9
121.10119	20.3
122.10559	2.0
123.08038	8.3
123.11691	7.8
125.09621	18.7
127.03914	4.0
127.07549	2.7
129.06981	9.8
130.07780	3.1
131.04889	1.9
131.08556	28.3
133.06494	8.0
133.10110	39.5
135.08009	11.9
135.11670	13.1
135.57040	1.7
137.09604	6.4
139.07520	2.2
141.06923	2.8
142.07750	3.3
143.08517	11.6
145.06464	4.2
145.10098	24.2
147.08051	5.2
147.11661	16.2
149.09602	17.4
149.13219	13.0
151.11143	11.0
153.09132	2.4
153.12764	2.5
155.08556	5.6
157.10156	11.8
159.08047	3.6
159.11678	16.9
161.09561	8.1
161.13251	6.2
163.11111	9.9
165.09111	2.0
165.12761	2.1
167.08583	2.5
169.10063	4.7
169.12227	2.9
171.10274	2.4
171.11606	9.3
173.09581	2.1
173.11739	6.3
173.13277	8.4
175.11137	4.4
177.12744	7.8
179.14293	3.3
181.10101	1.8
181.12250	2.3
183.11681	7.0
185.13284	3.8
187.11212	3.5
187.14748	2.2
189.09311	1.6
189.11159	7.6
189.12691	3.0
193.12198	3.2
195.13823	5.8
197.13194	1.8
199.11101	2.1
201.12819	2.3
205.12207	2.6
217.15877	3.5
223.13188	11.7
227.12744	17.8
229.14282	17.2
245.13800	2.0
245.18997	5.0
253.14342	19.1
255.17628	3.1
257.19031	7.8
263.19946	2.3
269.17438	27.2
273.18494	30.9
275.19983	36.5
291.19495	73.2
292.19983	2.9
293.21130	3.6
315.04962	2.0
329.21021	2.3
331.22525	1.9
345.09479	2.6
347.22083	9.7
349.23694	20.3
350.23996	2.1
365.23151	39.5
366.23761	2.7
367.24731	7.6
374.88605	1.9
439.26529	2.1
463.30725	2.9
501.31897	4.2
519.33026	42.0
520.33563	4.1
537.34155	2.0
541.35028	7.1
542.50806	2.4
543.36359	5.9
545.34357	3.4
559.36237	48.9
560.36383	3.5
567.10272	1.9
621.41449	3.7
639.42603	27.0
657.43585	13.6
873.44000	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	865.311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20218	0.2
67.05422	1.0
67.05802	0.3
68.99710	1.3
69.06995	0.3
75.15094	0.2
79.05399	1.5
81.03320	2.3
81.07039	1.5
83.04882	0.4
83.08541	0.2
85.02837	0.3
85.06445	0.2
91.05460	1.5
93.06926	0.7
95.04868	0.7
95.08507	0.7
97.02802	0.2
98.20720	0.3
103.75660	0.2
105.07012	1.1
107.04861	0.3
107.08504	0.4
108.17666	0.2
115.05388	0.2
119.08466	0.7
121.10025	0.3
121.65287	0.2
124.72814	0.2
124.83255	0.2
129.06906	0.3
131.08456	0.2
133.06331	0.6
133.09988	0.3
135.04364	0.3
139.00235	1.5
147.04356	0.4
149.02266	0.2
149.05904	0.2
150.06699	0.3
151.07465	0.3
161.05882	0.4
162.06761	1.0
163.03857	1.4
164.04572	0.6
165.05374	0.5
165.09007	0.6
166.99698	0.4
167.06923	0.5
168.00514	1.2
169.01178	0.6
176.04500	0.2
177.05449	1.0
178.06223	5.8
179.07001	1.7
180.07669	0.4
181.04654	0.2
185.00781	1.3
186.01573	1.0
191.03403	0.8
191.06989	0.9
192.07620	0.3
193.08582	2.1
194.09242	0.4
195.06453	0.2
195.10114	0.3
203.03297	0.2
205.04863	0.4
206.05605	0.6
214.06163	0.2
218.05693	0.4
219.06435	0.3
220.07037	0.2
221.08072	0.3
229.04858	0.3
231.02747	0.6
232.07153	0.3
242.05721	0.2
243.02751	0.2
243.06259	0.4
245.04276	0.5
246.05226	2.0
255.02647	0.2
257.04355	0.4
259.02295	1.2
259.05981	0.2
260.03162	0.2
260.06604	0.5
261.07327	0.3
270.05118	0.4
271.05899	0.4
273.03818	0.5
274.04684	7.7
275.05136	0.5
277.03333	0.7
283.02258	0.2
284.02863	0.2
285.03894	0.9
285.06903	0.2
287.05353	0.4
288.06113	0.7
289.06702	0.2
292.05685	1.0
297.03604	0.2
298.04370	0.2
299.02176	0.4
299.05356	1.1
300.06000	0.4
301.03506	1.7
301.06671	0.4
303.04898	0.7
312.06232	0.3
313.03424	1.0
314.04196	0.4
315.04831	1.1
316.05722	5.1
317.06314	0.9
327.04974	1.0
328.05707	1.3
329.02673	1.0
329.06494	1.4
330.06989	0.2
331.04376	4.1
331.08026	22.3
332.04776	0.3
332.08405	0.7
342.07260	0.4
343.04163	0.2
344.05115	0.3
345.06052	1.3
345.09720	0.3
346.06787	3.6
359.07574	16.0
360.08267	2.4
361.09137	9.0
362.09387	0.5
373.09061	0.4
465.18314	0.2
495.16599	0.3
509.18536	0.3
523.15625	1.9
525.21094	0.7
537.17297	0.2
541.17151	0.6
553.20624	24.2
554.20886	1.6
556.19531	0.3
571.21649	100.0
572.22028	6.3
572.29114	0.1
677.45361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.3
67.05492	2.1
68.99789	0.5
69.03424	2.0
69.07056	0.7
69.28857	1.8
71.04961	0.2
73.37262	0.2
79.05476	2.5
81.03394	1.6
81.07047	2.4
83.01328	0.4
83.04971	0.8
83.08604	0.4
83.49406	0.2
85.02882	1.3
85.06528	0.2
87.04456	0.7
90.13413	0.2
91.05470	3.0
93.07014	1.6
95.04951	1.6
95.08583	0.9
97.02874	1.4
97.06512	0.4
97.10126	0.2
103.05441	0.4
105.03366	0.2
105.07011	2.2
107.04936	1.0
107.08570	0.9
109.02823	0.2
109.06493	0.5
109.10132	0.2
115.03926	0.6
115.05469	0.2
117.06989	0.4
119.04952	0.3
119.08585	0.9
121.02811	0.2
121.06506	0.5
121.10120	0.5
123.04430	0.5
123.08046	0.3
125.06016	0.3
127.03873	0.2
128.54784	0.2
129.07008	0.6
131.04942	0.2
131.08565	0.8
133.02797	0.3
133.04951	0.5
133.06471	0.6
133.10089	0.6
135.04390	0.5
136.05133	0.3
137.02362	0.2
137.05962	0.8
139.25160	0.2
142.07739	0.2
145.02846	0.2
145.10127	0.2
147.04382	0.9
147.11685	0.4
149.02304	0.3
149.05983	0.6
149.09601	0.7
150.06732	0.3
151.03938	0.3
151.07512	2.3
153.01826	0.3
153.05449	0.5
155.03395	0.4
157.10075	0.5
157.95172	0.2
161.05972	0.7
162.06763	0.8
163.03867	2.6
163.07561	0.4
164.04691	1.4
165.01820	0.4
165.05499	0.9
165.09096	0.7
167.07007	1.5
168.00545	0.8
168.07825	0.6
169.01314	1.9
171.04388	0.2
175.03973	0.7
175.07478	0.3
175.11160	0.2
177.01894	0.5
177.05397	1.6
178.06216	14.7
179.03424	0.9
179.06973	3.0
180.00504	0.2
180.07788	0.7
181.01282	1.7
181.04948	0.6
181.08578	1.9
183.02917	0.5
185.00748	1.1
186.01534	1.3
187.03981	0.3
189.05507	0.4
191.03299	1.0
191.07007	1.8
192.07782	0.4
193.01297	0.5
193.04976	0.5
193.08582	4.0
193.12299	0.2
194.01761	0.2
194.09366	1.2
195.02858	0.8
195.06497	0.8
195.10168	0.8
198.01552	1.3
199.02345	1.8
199.07611	0.2
201.05380	0.3
203.03418	0.5
203.06972	0.3
204.07512	0.2
205.01358	0.7
205.04866	0.9
206.02147	0.5
206.05730	0.3
207.02888	1.2
207.06538	0.4
208.03691	0.2
209.00830	0.4
211.02353	0.6
215.03445	0.3
215.06970	0.3
216.04236	0.2
217.04974	0.4
219.02881	1.0
219.06517	0.6
220.03600	0.2
221.04437	0.7
221.08243	0.2
223.02341	3.3
224.03098	0.4
229.05034	0.3
229.08566	0.2
231.02788	1.1
231.06508	0.3
232.03545	0.4
233.04497	0.6
235.02429	0.3
237.03938	0.8
238.04707	0.2
243.06366	0.3
244.03578	0.3
245.04503	0.6
246.05124	0.2
255.02809	0.2
255.06564	0.2
257.04468	0.7
258.05136	0.2
259.06015	0.2
269.04419	0.2
271.05969	0.3
273.07550	0.2
283.06015	0.3
284.06851	0.2
285.03882	0.6
285.07385	0.3
285.10999	0.3
286.04904	0.2
287.05524	0.5
287.09088	0.4
289.06998	0.3
295.09781	0.2
297.03961	0.2
297.07550	0.2
299.02023	0.3
299.05533	1.0
301.03571	0.2
302.04269	0.3
303.04782	0.4
305.10242	0.5
311.05466	0.3
312.06387	0.5
313.03412	1.1
313.07025	0.4
313.10574	0.3
314.04126	0.5
314.07822	0.7
315.04843	1.5
316.05521	0.3
317.06555	2.0
325.03281	0.3
325.07077	0.3
325.10550	0.2
327.04965	1.8
327.12234	0.2
328.05728	0.5
329.06543	3.8
330.07193	0.8
331.04486	2.6
331.08090	0.9
337.06982	0.2
339.04965	0.3
340.05716	0.4
341.06665	0.8
341.10223	0.3
342.07370	1.5
343.04437	4.1
343.07877	0.3
343.11304	1.1
344.05045	0.2
345.06006	2.1
345.09723	2.2
346.06705	2.8
346.10242	0.3
349.07031	0.2
350.08215	0.3
351.08826	0.2
353.06619	0.5
355.08325	0.4
357.06076	1.0
358.06787	0.7
359.07535	2.0
360.08334	7.4
361.09103	10.7
362.09280	0.4
365.06165	0.2
366.06754	0.2
367.04364	0.6
367.08298	0.4
369.05777	0.2
369.09738	0.3
371.07489	0.5
372.08234	0.4
373.09128	21.3
374.09698	1.0
381.09964	0.3
383.07339	0.3
384.08261	0.3
385.08942	1.1
385.80930	0.2
386.09872	0.5
387.06860	0.5
387.10999	1.4
394.10519	0.2
395.11328	0.4
397.09052	2.9
397.13843	0.3
398.09485	0.3
399.10730	1.6
401.12372	0.8
410.09729	0.2
411.10635	0.9
413.12430	0.6
415.10263	0.3
423.10672	0.6
424.11447	0.2
425.12207	0.6
427.10242	0.7
429.11874	2.2
437.12241	0.4
479.20456	0.3
481.18835	0.3
495.16422	0.4
505.14758	0.6
507.20035	0.9
509.17966	0.9
517.18713	0.2
525.21051	2.3
527.19440	0.4
535.19519	3.8
536.20459	0.3
538.18317	0.2
553.20624	19.4
554.20770	1.3
571.21631	100.0
572.21979	6.4
733.26276	0.2
773.22345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24747	0.3
67.05445	0.9
68.99782	3.8
69.03425	1.9
69.97075	1.6
71.04950	0.3
73.70434	0.3
79.05425	1.1
81.03407	2.1
81.06997	1.0
83.04921	0.5
83.08562	0.7
85.02838	1.3
87.04408	0.6
91.05465	1.8
93.07018	0.8
95.04934	0.7
95.08537	0.5
97.02885	1.7
98.21333	0.4
103.05432	0.3
105.01806	0.3
105.07012	2.0
107.04895	1.0
110.03640	0.3
111.00763	0.3
112.01568	0.3
115.03873	0.8
115.05354	0.4
117.06966	0.4
118.04128	0.4
119.04861	0.8
119.08523	0.5
121.06439	1.0
122.03579	0.4
123.04417	0.7
125.05992	0.4
129.06943	0.8
131.08536	0.5
133.04926	0.6
133.06459	3.1
133.10072	0.5
134.03622	0.4
135.04309	0.5
135.07977	0.5
137.05931	1.8
138.99466	0.3
139.00256	2.8
139.03831	0.7
145.02777	0.4
147.04416	1.9
148.05128	0.3
149.02368	0.4
149.05907	1.2
150.03139	0.3
150.06688	1.0
151.07468	1.0
153.01775	0.4
153.05368	0.4
154.02548	0.4
158.94960	0.3
161.04980	0.3
161.05969	2.8
162.06744	3.8
163.03883	2.1
164.04669	4.1
165.05440	0.8
165.09071	3.3
165.12685	0.4
166.99709	1.0
167.07022	6.8
168.00533	3.5
168.07330	1.4
168.99924	0.5
169.01305	9.0
173.05872	0.5
175.03885	0.5
175.07513	0.5
175.11198	0.4
176.04639	0.4
177.05450	3.1
178.04726	0.7
178.06226	11.4
179.03358	1.4
179.05603	0.4
179.07014	5.3
181.04997	2.7
185.00793	4.9
186.01588	4.8
187.03882	0.4
187.07489	0.4
190.06238	0.3
191.03331	1.4
191.07005	9.7
192.07784	4.1
193.08577	26.4
194.09137	1.5
195.02855	0.5
195.10025	0.3
197.05966	0.7
200.13664	0.3
201.05466	0.5
203.03392	0.4
204.07610	0.6
205.04935	1.0
206.05675	1.5
207.02870	0.4
207.06442	1.0
211.09546	0.8
211.13167	1.0
212.09868	0.4
215.03308	0.4
215.07030	0.6
218.15276	0.4
219.06519	2.0
220.06989	0.3
221.08025	0.5
222.05112	0.4
225.05414	0.8
228.04054	0.5
229.04831	1.4
231.02853	0.9
235.00232	0.4
243.06470	1.2
244.07242	0.8
245.04427	1.0
245.07942	0.3
246.05194	3.4
247.05693	0.4
253.04932	1.1
255.06628	0.5
256.03543	0.6
257.04404	3.6
258.05194	0.6
259.02356	1.3
260.06732	0.8
261.07535	0.4
269.04337	0.4
270.05115	1.5
271.05939	2.3
273.03882	0.4
273.07648	0.4
274.04691	8.8
275.05353	0.9
277.03400	0.6
281.04312	0.9
283.06003	0.4
284.03040	0.4
285.03964	3.1
285.07260	0.6
286.04568	0.6
286.08240	0.5
287.01981	0.7
287.05289	0.7
288.06210	1.0
289.07159	2.5
290.07874	0.8
292.05737	1.4
297.04059	0.8
297.07547	0.5
298.04651	0.9
299.01910	1.1
299.05383	6.2
300.06064	0.5
301.03397	1.0
301.06937	0.7
302.04279	1.9
303.04828	0.7
311.05328	0.4
312.06351	0.6
313.03378	7.0
313.07013	2.6
314.04095	3.6
314.07785	5.9
315.04868	2.3
315.08279	0.6
316.05682	5.0
317.06509	13.1
318.07019	0.7
324.06137	0.4
325.06955	0.6
327.04901	3.7
328.05740	1.3
329.03183	0.8
329.06509	23.5
330.07074	1.6
331.04422	4.8
331.08035	32.2
332.05005	0.4
332.08398	1.5
335.73621	0.3
341.06512	0.6
342.07297	10.0
343.08066	1.5
345.05994	18.7
345.09598	1.4
346.06686	6.6
358.98157	0.5
359.07556	72.9
360.08319	100.0
361.09076	52.4
362.09525	2.6
373.08926	1.4
522.13660	0.8
523.14734	0.8
525.62183	0.3
535.19617	1.0
553.20660	11.5
554.20862	0.6
571.21667	63.9
572.22009	5.2
667.23901	0.3
733.27026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.6
69.07063	2.0
71.20226	2.5
71.20585	1.2
79.05487	5.8
81.03423	2.7
81.07051	6.1
91.05484	4.6
93.07031	5.1
95.04934	1.6
95.08575	5.2
97.06524	5.4
105.07047	3.8
106.86082	1.0
107.04969	1.0
107.08627	1.6
109.05908	1.1
109.10176	1.4
119.08547	2.8
121.10156	2.1
122.51491	1.0
129.06956	1.3
131.08603	1.8
133.10153	1.7
135.11754	1.2
140.40520	1.0
157.10138	1.3
173.19131	1.2
188.08379	2.7
209.09686	1.2
225.09198	1.1
251.71992	1.1
253.08583	1.2
261.22211	1.5
332.11520	1.2
335.25684	5.0
342.61969	1.1
398.20721	2.6
435.22031	1.5
439.45322	1.1
463.21194	1.7
491.20880	2.2
515.96606	1.2
551.27600	1.8
583.25714	1.8
640.15924	1.1
775.42328	5.3
843.47412	2.8
861.47528	100.0
862.48041	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	863.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93717	0.4
61.02921	3.4
67.05495	4.7
69.03407	2.6
69.07070	2.5
71.01315	0.4
71.04984	0.8
73.02904	3.1
79.05484	4.6
80.68986	0.4
81.03403	1.9
81.07049	5.6
83.02071	0.4
83.04966	0.9
83.08601	1.3
85.02892	3.7
86.55416	0.5
91.03941	2.3
91.05458	4.1
93.07036	5.6
95.04984	0.8
95.08592	2.9
97.02891	3.1
97.06512	0.7
97.10136	0.5
98.20652	0.8
99.04462	0.8
101.02382	1.6
105.07018	3.2
107.08588	2.7
109.02919	0.4
109.10140	1.4
117.07021	1.0
119.08572	2.3
121.10130	2.1
125.00047	0.4
125.09615	0.7
127.03949	1.1
129.05542	0.4
129.07021	0.9
131.08575	1.6
133.10114	2.1
135.11652	0.6
143.08577	0.7
145.10124	1.3
147.11702	1.3
149.13310	0.8
153.01775	0.5
157.10075	0.8
159.11650	0.9
163.11124	0.5
171.11682	0.6
184.50758	0.4
185.04213	0.9
187.14835	0.5
241.63828	0.5
243.08418	3.4
259.20551	0.4
274.73520	0.4
301.09048	1.2
315.10776	0.6
317.20901	0.5
333.24194	0.5
351.21341	3.4
407.24048	0.6
413.17712	0.5
465.21045	0.9
496.21970	0.5
535.28668	5.9
569.29321	6.5
641.31482	1.3
655.31177	0.4
666.46759	0.4
706.22626	0.4
863.51099	100.0
864.51599	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	859.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.0
65.03927	0.2
67.01833	0.2
67.05492	0.3
68.99788	0.3
69.03421	8.0
71.01339	0.4
71.04984	4.4
73.02896	1.0
75.04456	0.5
79.05463	0.5
81.03411	1.1
83.01305	0.3
83.04970	2.3
85.02893	11.7
87.04456	3.6
91.03941	0.7
91.05473	0.2
95.01239	0.1
95.04977	0.6
97.02879	8.1
97.06520	0.3
99.04437	1.3
101.02357	0.4
101.57940	0.1
103.03929	0.2
105.03336	0.2
107.04946	0.3
109.02850	0.6
109.06496	0.2
111.00787	0.5
111.04424	1.8
113.02346	0.3
113.05978	0.3
114.72549	0.1
115.03912	6.1
117.05473	0.4
118.53313	0.1
121.02852	2.0
123.04439	0.2
125.02325	0.1
125.05975	0.2
127.03912	1.2
129.05452	2.4
131.03371	0.3
133.02820	0.4
133.04948	4.4
135.04373	0.4
137.02309	0.6
137.05923	0.3
139.03891	0.7
145.04932	1.1
145.06488	0.2
147.04358	0.4
147.06488	1.3
149.04440	0.8
151.03958	0.2
153.01808	2.7
153.05455	0.5
157.04930	0.6
157.06345	0.2
161.04524	0.2
161.05952	0.3
163.03862	0.2
163.05937	0.2
165.01814	1.4
165.05450	0.3
169.05003	0.3
171.04340	0.2
171.06487	0.7
173.04526	0.1
175.06111	0.3
181.04964	0.3
183.02808	0.7
185.05966	0.3
189.05493	0.2
189.07584	0.3
199.06006	0.3
203.76172	0.1
207.06496	0.5
211.06026	0.2
213.05489	1.0
213.07283	0.2
225.07556	1.2
229.07076	1.2
231.06522	0.5
241.04871	0.6
243.06448	0.2
243.08687	1.2
247.08109	0.6
252.91898	0.1
256.04297	0.1
258.05222	1.0
259.05927	0.4
261.09698	2.0
265.09116	1.1
269.04355	0.2
270.04773	0.1
277.09116	0.2
279.10715	1.7
287.05457	100.0
288.05771	2.4
295.10248	0.4
299.05484	1.2
301.07050	0.2
309.11584	0.1
311.05447	0.3
315.05008	0.1
325.06888	0.3
329.06525	2.3
330.07141	0.3
331.08264	0.2
345.09573	0.6
353.06656	0.9
359.06650	0.1
371.07391	0.2
383.07675	0.3
395.07593	0.2
406.68994	0.1
419.09631	2.2
431.09634	0.3
433.11407	0.2
449.10785	2.0
490.68744	0.2
581.15179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98131	0.1
67.94515	0.2
69.03412	0.4
70.54540	0.2
71.62804	0.4
80.36139	0.2
81.03418	0.1
85.02879	0.6
91.92445	0.1
97.02882	0.5
107.01290	0.2
115.03923	0.2
121.02860	0.2
125.02350	0.2
127.03895	0.2
135.04381	0.7
137.02315	0.5
150.03088	0.7
152.88081	0.2
152.90933	0.2
153.01805	6.1
155.04855	0.2
163.03799	0.4
165.01836	0.2
170.02065	0.4
173.05939	0.4
177.01888	0.2
179.03423	0.4
183.04384	0.3
185.05878	0.3
187.03886	0.4
188.41574	0.1
191.03384	1.9
193.04967	0.5
201.05435	1.7
203.03421	0.5
204.04251	0.4
205.04961	0.7
206.03839	0.2
209.04387	0.3
211.03874	0.3
212.04517	0.2
213.05486	1.0
215.03340	0.2
215.06938	0.2
228.04201	0.4
229.04936	6.6
230.05455	0.3
231.02901	0.3
232.03725	0.2
241.04918	0.7
243.06511	0.8
247.06046	0.2
256.03760	0.2
257.04416	8.8
258.04910	0.3
261.07562	0.5
271.05957	2.3
284.03015	0.8
285.03909	9.0
286.04382	0.2
287.05502	0.9
289.07010	0.3
299.05377	0.9
301.06949	0.4
302.04163	2.4
315.04654	0.2
317.06516	100.0
318.06876	3.6
345.09656	0.5
418.91074	0.2
449.10547	0.2
479.11758	1.7
565.11078	0.4
611.15997	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	859.249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.3
65.03911	0.2
67.05475	0.3
68.99801	0.3
69.03052	0.4
69.03422	7.2
71.01341	0.4
71.04983	5.2
71.13895	0.3
71.14252	0.4
73.02887	0.8
75.04453	0.8
79.05470	0.4
81.03432	1.1
81.07048	0.2
83.01324	0.3
83.04973	2.3
85.02892	10.6
87.04452	3.2
89.88855	0.2
91.03934	0.7
95.04955	0.6
97.02879	7.4
97.06479	0.3
99.04447	1.3
101.02345	0.4
107.04931	0.4
109.02841	0.8
109.06493	0.3
111.00795	0.4
111.04430	1.9
113.05931	0.3
115.03915	7.0
117.05523	0.4
119.04882	0.2
121.02863	2.4
121.06450	0.2
123.04405	0.3
125.05986	0.3
127.03887	1.2
129.05473	2.2
131.03389	0.4
133.02818	0.5
133.04945	3.9
135.04384	0.3
137.02283	0.4
137.05980	0.3
139.03862	0.8
143.03339	0.2
145.04912	0.9
147.04411	0.4
147.06502	1.2
149.04420	0.8
151.03848	0.3
153.01796	2.4
153.05409	0.3
157.04924	0.6
157.06357	0.2
159.23999	0.2
163.03920	0.3
163.06006	0.3
165.01779	1.3
165.05380	0.3
171.06514	0.8
183.02861	0.5
185.05934	0.5
189.05356	0.2
189.07468	0.4
197.05774	0.2
207.06502	0.3
211.06001	0.2
213.05496	1.1
213.07318	0.2
225.07574	1.0
229.06963	1.2
231.06427	0.5
241.04967	0.5
243.08643	1.6
247.08047	0.6
255.08733	0.2
258.05313	0.7
259.06018	0.3
261.09686	2.2
265.09134	0.8
279.10699	1.5
287.05457	100.0
288.05777	2.1
295.10028	0.5
299.05475	1.6
311.05399	0.3
325.07022	0.3
329.06470	2.0
345.09692	0.2
353.06519	0.8
371.07770	0.4
383.07489	0.3
419.09698	2.4
431.09607	0.5
449.10867	1.7
518.14862	0.2
581.15039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.1
67.05498	100.0
69.03423	4.4
69.07063	23.4
71.04993	3.8
77.23853	1.7
79.05034	2.6
79.05485	52.6
80.05820	2.1
81.03403	3.0
81.07047	62.6
83.04968	4.2
83.08611	16.6
85.02913	3.4
85.06514	3.7
91.05471	56.3
93.07034	58.0
95.04957	6.3
95.08586	34.1
97.02880	2.1
97.06519	7.5
97.10151	8.2
99.08094	2.0
103.05414	2.0
105.07020	57.3
107.04929	2.8
107.08586	38.7
107.38673	2.1
108.08849	1.7
108.46230	2.0
109.06515	5.3
109.10149	50.5
111.08057	3.7
117.07010	17.2
119.08566	49.3
121.06470	3.5
121.10123	23.9
122.33920	1.6
123.08045	4.0
123.11681	5.8
125.09582	9.8
129.07018	13.3
131.08553	26.2
133.10107	30.0
135.08031	4.2
135.11691	15.7
137.09587	3.0
139.11105	2.5
141.06952	3.8
143.08551	14.6
145.10104	23.5
147.08012	1.9
147.10573	3.0
147.11665	27.6
149.09616	7.3
149.13268	10.9
151.11090	2.9
155.08524	5.5
155.10638	3.4
156.09282	3.4
157.10168	9.3
159.11646	15.1
161.13223	16.6
163.11154	5.2
163.14763	2.3
165.12675	2.7
169.10091	7.0
171.11629	12.1
173.11713	11.1
173.13257	13.3
175.14825	7.3
177.12740	3.6
181.10008	1.9
183.11650	7.4
184.07310	1.8
185.13290	11.2
187.14780	4.8
189.11188	2.3
189.12766	2.7
195.13855	3.2
197.13231	5.2
199.14778	4.3
207.11792	2.2
211.14827	3.2
213.16376	2.6
215.17926	2.2
223.14740	3.6
227.12717	9.8
229.14316	34.1
229.43050	2.2
231.21046	3.7
239.17970	2.4
241.19507	14.1
249.16377	1.9
257.19037	3.8
259.20554	46.3
261.22113	3.2
269.17435	8.4
273.18344	2.2
275.20016	18.2
291.19519	2.3
293.20993	3.5
315.23038	4.9
321.21280	2.1
333.24210	40.1
334.24570	2.2
335.25677	2.4
349.23694	5.9
351.25223	2.5
367.24878	11.7
395.29144	2.5
433.30008	1.9
435.32520	3.7
453.33603	2.3
487.33987	11.3
505.35056	18.1
509.36050	2.9
513.35693	4.9
515.38135	3.7
527.29926	2.4
527.37250	25.1
533.39484	2.3
545.38074	6.0
593.24054	2.6
607.43494	22.3
625.44653	27.6
643.45264	4.4
859.47321	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	856.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	3.8
65.11087	3.2
67.05497	100.0
69.03429	9.3
69.07056	23.9
70.90281	10.8
71.04977	11.1
73.02911	5.2
76.51887	3.7
79.05480	69.3
81.03407	20.4
81.07047	79.9
83.04983	8.4
83.08612	19.7
84.17507	3.6
85.02889	4.1
89.03896	3.7
91.05470	32.7
93.07032	67.3
95.04967	7.9
95.08593	53.4
97.02872	42.3
97.06513	10.9
97.10146	7.6
99.08067	4.2
105.07011	33.6
107.04907	4.8
107.08574	46.9
109.06532	5.1
109.10142	38.7
111.08086	7.2
117.03409	8.7
117.07008	16.1
117.96088	3.9
119.08566	26.1
121.06484	4.9
121.10136	26.1
123.07976	4.3
123.11695	5.0
125.09644	7.0
129.07016	10.1
131.08559	23.6
133.10123	16.9
135.08022	4.9
135.11688	14.3
137.09549	4.6
145.02811	34.3
145.10114	13.0
147.11674	9.2
149.09604	5.4
149.13252	12.9
157.06502	5.0
159.11671	13.3
167.03392	22.7
173.11757	5.1
173.13185	7.2
177.05428	65.4
189.09103	4.4
195.13678	4.2
227.12872	7.2
229.14316	26.5
245.08049	4.2
257.18976	5.5
261.22137	9.9
269.17392	9.0
275.17178	4.1
275.20114	14.0
291.08609	15.6
335.25757	86.7
349.23743	13.9
413.21436	6.2
489.35471	16.5
529.38708	77.8
549.61627	4.5
569.41974	7.5
609.45056	27.0
610.45947	5.8
641.47772	8.3
673.42981	9.0
730.32245	4.2
857.48749	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.1
61.89942	1.8
65.03925	4.7
67.05497	100.0
69.03417	3.6
69.07058	15.4
71.04973	4.4
71.35932	3.1
73.02923	2.2
73.37301	1.9
77.29897	1.9
79.05484	38.0
81.03419	9.2
81.07050	57.7
83.04963	7.3
83.08601	14.5
85.02893	11.4
85.06522	5.2
87.04436	5.7
91.05479	23.0
93.07034	44.9
95.04953	5.3
95.08595	38.5
97.02882	4.5
97.06522	5.8
97.10155	12.1
99.08054	2.1
101.07059	1.8
105.07036	14.3
105.61395	1.8
107.04916	3.2
107.08583	25.5
109.06480	3.4
109.10143	57.0
111.08045	4.0
117.06984	6.1
119.08569	15.4
121.10139	17.6
123.11693	6.2
125.09621	11.9
131.08517	11.7
133.10089	7.1
135.11636	9.5
137.09628	4.3
145.10080	12.7
147.11642	3.6
149.13232	3.6
153.12721	2.4
155.10652	4.3
159.11664	5.3
161.13208	5.3
163.11134	9.1
163.14822	2.9
173.11707	15.9
173.13170	3.4
181.12126	1.9
185.13232	2.5
187.14848	2.6
191.10756	2.3
193.12236	2.4
199.13217	5.5
209.11732	5.1
227.12717	7.0
229.14346	40.8
243.21005	5.3
244.39523	2.2
261.22116	16.6
267.15918	3.8
283.15335	2.2
301.16388	13.7
317.24539	2.1
335.25769	91.5
399.23859	12.9
477.35547	7.8
489.35724	21.8
497.41183	2.2
561.37695	5.1
579.38611	4.2
659.45117	22.6
760.95874	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.4
65.03921	3.6
67.05499	87.8
69.03427	10.3
69.07060	43.4
69.79092	2.7
69.79514	5.0
71.01339	1.1
71.04980	7.1
77.03891	1.2
79.05483	69.6
81.03409	17.1
81.07045	100.0
82.07390	2.2
83.04977	15.3
83.08609	21.7
83.85388	1.0
85.02893	7.4
85.06528	4.7
91.05469	64.3
93.07030	75.2
93.19526	1.1
94.07356	1.8
95.04951	17.8
95.08592	45.5
97.02887	5.6
97.06522	21.4
97.10161	12.6
98.20718	1.3
98.66685	1.2
99.04455	2.8
99.08084	4.1
103.05444	2.4
105.04490	1.5
105.07019	53.5
107.04940	11.9
107.08581	52.4
107.09335	1.5
109.02867	2.5
109.06503	10.5
109.10136	18.7
109.48856	1.1
111.04440	1.7
111.08057	9.8
113.06001	2.3
113.09631	2.3
115.05444	3.5
117.06995	24.2
117.07792	1.8
119.08572	37.2
119.42470	1.3
121.06499	8.1
121.09252	1.8
121.10133	25.3
123.04438	1.7
123.08059	7.6
123.11711	7.2
125.09609	11.5
127.03887	4.5
127.07533	2.3
128.06233	3.7
129.05481	2.0
129.06976	10.7
130.07820	1.9
131.04892	1.2
131.08551	29.5
133.06448	2.7
133.10106	36.9
135.08029	7.0
135.11673	25.2
137.02330	1.1
137.09592	4.8
141.06995	2.5
142.07706	2.4
143.08565	8.2
144.09340	1.1
145.06488	2.3
145.10106	25.1
147.08003	3.9
147.11678	18.2
149.09587	18.7
149.10675	1.7
149.13239	22.9
150.09987	1.4
151.11142	4.4
153.12714	1.5
155.08531	6.3
157.10127	9.5
159.08073	1.9
159.11681	24.1
161.09608	2.7
161.13263	7.5
163.11154	16.5
163.14838	1.3
165.12712	2.7
165.54008	1.1
167.08586	1.4
169.10143	6.2
171.10432	1.4
171.11656	8.4
173.04459	3.5
173.09613	2.2
173.13214	10.7
173.76360	1.0
175.11244	3.1
177.12729	8.4
179.14308	6.5
181.10092	1.8
181.12244	3.8
183.11700	5.0
185.09625	1.3
185.13243	4.3
187.11182	3.5
187.14818	3.0
189.11195	5.4
189.12721	1.7
191.14340	1.5
193.10196	1.2
193.12286	1.2
195.11858	2.9
195.13800	11.9
197.13278	5.6
199.14861	1.6
201.12889	1.6
205.12247	1.9
209.13211	3.1
211.11115	1.1
211.14780	2.2
213.14703	2.3
213.16463	2.0
215.14374	2.5
215.18188	1.3
219.13820	2.0
219.17468	1.8
223.13257	1.5
227.12723	13.8
229.14375	3.0
229.19470	4.4
233.15324	2.1
239.17990	5.4
245.13821	1.5
247.16946	1.3
247.20509	4.2
251.16328	2.7
253.14182	1.6
255.15884	18.3
257.18982	16.1
259.20596	1.7
261.15021	1.3
267.15948	4.6
269.17438	58.5
273.18390	2.4
275.20038	61.3
276.20288	2.9
291.19452	2.9
292.19733	2.7
293.21063	3.3
301.07077	3.1
301.21445	1.3
303.04950	11.0
313.21448	1.5
321.24161	3.4
331.22720	4.7
349.23688	50.3
350.24207	2.2
353.24866	1.5
357.55261	1.2
365.23541	1.6
367.24759	7.6
389.27075	1.2
395.20499	1.3
421.25586	1.2
423.27521	2.1
433.30408	1.7
435.27176	2.8
445.29419	4.2
445.53622	1.4
447.30728	1.4
447.76044	1.2
449.28915	29.3
450.29224	2.1
451.32257	1.9
461.29230	1.3
463.30530	39.6
464.30545	2.1
469.32941	2.5
515.37036	2.1
525.35712	6.2
529.35162	9.7
543.36755	52.2
544.36981	3.9
547.35516	2.5
561.37915	7.0
607.34692	1.8
623.43127	8.1
641.43555	4.9
687.40027	1.6
857.45123	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	857.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.5
65.03916	0.7
67.05495	10.9
68.05818	0.8
68.99801	0.4
69.03426	1.6
69.07056	4.6
69.60725	1.6
70.07401	0.5
71.01340	0.2
71.04968	1.0
73.02883	0.3
77.03925	0.2
79.05481	9.9
80.05802	0.7
81.03407	2.2
81.07043	11.6
81.84521	0.2
82.07366	0.7
83.04974	1.6
83.08604	2.2
85.02876	1.0
85.06538	0.4
91.03926	0.3
91.05464	9.2
92.05782	0.6
93.03384	0.4
93.07030	9.1
94.07357	0.8
95.04958	2.3
95.08009	0.4
95.08593	5.9
96.08906	0.4
97.02877	5.4
97.06509	2.4
97.10143	1.6
98.10490	0.2
99.04401	0.2
99.08080	0.5
103.05393	0.4
105.06333	0.4
105.07016	7.7
105.16843	0.2
106.07349	0.7
107.04940	1.2
107.08578	6.2
108.08910	0.6
109.02851	0.9
109.06504	1.5
109.10147	3.1
110.10447	0.3
111.00784	0.8
111.04437	0.5
111.08106	1.1
113.06024	0.3
115.05408	0.6
117.07006	4.1
118.07332	0.3
119.04909	0.2
119.08560	5.3
120.08895	0.5
121.02838	1.0
121.06480	0.8
121.10126	3.3
122.10455	0.3
123.04415	0.6
123.08028	0.9
123.11671	0.7
125.09610	1.2
127.03876	0.8
127.07525	0.3
128.06194	0.6
129.06989	1.8
131.04884	0.2
131.08549	4.4
132.08894	0.6
133.06468	0.6
133.10101	4.5
134.10451	0.6
135.04390	0.3
135.08029	0.8
135.11671	2.3
136.11952	0.2
137.02324	3.1
137.05933	0.2
137.09566	0.5
139.11110	0.3
141.06955	0.5
143.08517	1.8
144.09068	0.2
145.06438	0.9
145.10097	3.4
146.10475	0.3
147.08017	0.8
147.11685	2.3
148.11951	0.3
149.02330	0.6
149.09593	1.7
149.13211	1.3
150.09982	0.2
150.13487	0.3
151.11159	0.4
153.01784	3.8
153.09081	0.2
155.04845	0.2
155.08537	0.9
156.09187	0.2
157.06464	0.3
157.10101	1.6
159.08028	0.6
159.11687	2.9
160.12044	0.5
161.06000	0.3
161.09590	0.6
161.13261	1.0
163.03856	0.5
163.07513	0.2
163.11192	1.3
164.11539	0.2
165.01804	2.0
165.12637	0.3
167.08510	0.4
169.10063	1.1
171.07977	0.2
171.11650	1.3
172.12227	0.2
173.04541	0.3
173.05980	0.8
173.13234	1.2
174.13644	0.3
175.11209	0.5
175.14842	0.3
177.12712	0.7
179.03333	0.2
179.14230	0.4
181.10078	0.5
182.10753	0.2
183.02873	1.1
183.04289	0.3
183.11662	0.9
185.13277	0.7
187.03906	0.4
187.11163	0.3
187.14751	0.5
187.65077	0.2
189.11172	0.7
189.12689	0.3
191.03294	0.4
195.03050	0.3
195.11732	0.3
195.13821	0.6
197.13303	1.0
199.14771	0.7
201.05461	1.4
201.12662	0.3
201.16347	0.2
205.15787	0.2
209.13199	0.4
213.12709	0.4
217.15926	0.4
219.06493	0.5
223.14697	0.2
225.16466	0.3
227.12677	1.7
228.04155	0.2
228.13121	0.6
229.04935	4.1
229.14316	0.6
229.19492	0.5
232.94176	0.2
239.17957	0.6
247.05994	0.7
247.20428	0.4
253.17897	0.3
255.15883	0.7
257.04401	2.5
257.19019	1.3
258.19333	0.5
259.17096	0.2
259.20581	0.4
269.17401	2.8
270.17746	0.6
273.21924	0.2
274.04712	0.8
275.20044	4.3
276.20309	1.9
277.21671	0.4
283.20676	0.2
285.03879	1.2
293.21060	0.5
302.04333	0.3
303.04947	100.0
304.05295	3.2
311.23563	0.3
315.04895	1.5
327.04968	0.5
329.24747	0.4
331.22513	0.3
339.23178	0.5
341.06781	0.2
345.06055	2.0
349.23672	3.1
350.23932	1.7
357.24228	0.6
367.24875	0.3
369.06039	1.0
375.25180	2.3
399.07034	0.4
429.08450	0.3
435.09131	0.2
447.09213	0.5
447.31064	0.2
449.28659	0.7
450.29034	0.8
463.30536	1.3
464.30780	0.7
465.10211	1.6
530.35138	0.4
543.36841	1.4
544.37177	1.9
561.37323	0.3
623.42981	0.5
624.43188	0.9
642.44061	0.2
649.83356	0.3
857.45972	0.7
891.54498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	2.2
65.03925	5.2
67.05494	90.6
67.33478	1.2
68.05817	1.8
69.03416	11.8
69.07059	41.7
70.47543	5.1
71.04978	6.5
73.02946	2.2
77.03917	1.2
79.05482	95.6
81.03409	14.1
81.07044	93.4
82.07383	1.9
83.04973	14.4
83.08610	39.3
85.02879	6.9
85.06532	6.4
91.05467	71.2
93.07030	73.1
95.04958	20.9
95.08591	41.6
97.02911	7.7
97.06509	18.5
97.10156	62.1
98.10477	1.6
99.04423	2.9
99.08070	2.3
103.05462	2.4
104.06240	1.6
105.04519	2.2
105.07010	68.8
106.07331	1.5
107.04937	15.5
107.08576	91.8
109.02879	6.0
109.06509	12.2
109.10141	30.1
111.04436	3.1
111.08058	9.6
113.06024	2.1
113.09650	2.1
115.05422	2.8
116.06285	1.7
117.06999	29.4
119.04911	1.5
119.06133	1.5
119.08559	44.1
121.06533	7.0
121.07222	1.2
121.10120	22.5
123.08050	5.4
123.11674	8.4
125.08696	2.9
125.09615	60.1
127.03899	6.3
129.06985	8.3
130.07809	2.4
131.08554	30.1
133.06465	3.0
133.10112	41.9
135.08028	16.3
135.11665	17.6
135.18022	1.3
137.09578	3.8
139.11166	2.5
141.06967	3.9
142.07762	2.0
143.08539	10.4
143.10678	2.5
144.09233	1.9
145.06433	2.2
145.10097	37.5
147.04416	2.2
147.07967	2.0
147.11668	26.3
149.09596	25.9
149.13220	11.4
151.11172	2.9
153.09096	4.3
155.08546	7.7
155.10489	1.7
157.10104	10.8
159.08002	3.3
159.11670	22.6
159.70605	1.4
161.09608	3.7
161.13275	8.8
163.11168	14.8
165.12737	1.8
168.91580	1.4
169.10129	9.5
171.10168	4.3
171.11682	9.9
173.04408	2.5
173.09601	1.5
173.11710	3.7
173.13246	11.2
175.11150	3.3
175.14839	3.2
177.12726	6.3
179.14262	4.8
181.10104	2.2
181.12190	1.6
183.11679	8.8
185.13229	5.1
187.11159	3.1
187.13295	1.7
187.14792	3.7
189.11211	38.2
189.12686	2.2
191.14323	2.3
195.11668	3.1
195.13765	7.1
197.13196	7.2
199.14841	3.0
201.13008	1.9
203.14224	1.6
209.13214	3.3
213.12823	1.8
213.16466	2.0
215.14287	1.7
217.15836	2.1
219.17349	1.9
227.12747	93.5
228.13252	1.9
229.14319	3.4
229.19537	5.1
233.18813	1.6
239.17947	6.2
243.15807	2.1
245.13809	8.8
247.20563	2.4
251.16409	1.8
255.15814	10.1
257.18997	18.5
259.20471	2.3
267.15863	2.0
269.17468	21.6
270.17694	1.9
273.18491	3.9
275.20020	100.0
276.20343	3.8
277.89725	1.5
283.20694	1.6
287.19711	2.1
291.19342	6.7
292.20013	2.2
293.21008	6.8
301.21713	2.2
304.56039	1.5
313.21606	4.1
329.20856	1.6
331.22440	8.8
349.23676	81.8
350.23978	4.4
363.26776	1.6
365.23322	2.0
367.24799	4.6
371.16769	2.3
371.21735	1.6
381.27811	1.7
389.18018	3.9
397.22119	5.8
419.29163	2.0
421.25546	1.8
425.25293	4.0
433.30850	2.4
439.26904	6.6
445.29648	1.8
449.29236	2.6
463.30499	2.4
469.33078	1.9
485.32843	1.6
501.32196	2.7
503.33307	2.7
511.34351	2.4
519.33124	17.6
525.35309	6.6
527.37036	3.1
529.35358	13.6
531.37799	1.9
537.34741	1.6
539.37061	1.5
543.36737	58.4
544.37140	2.4
547.36023	1.7
561.37335	3.0
583.30615	2.9
595.43719	2.4
605.41864	2.1
623.42993	42.0
624.42389	2.4
641.43994	11.3
663.36920	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.1
65.03940	4.5
66.04682	0.8
67.05495	80.1
69.03414	9.7
69.07059	36.6
69.07432	1.9
69.54845	6.3
71.01328	1.6
71.04974	7.1
73.02902	2.6
79.05481	60.6
80.05802	1.6
81.03410	15.5
81.07044	100.0
82.07377	1.1
83.04974	13.4
83.08170	1.4
83.08615	16.0
85.02900	5.0
85.06537	6.4
85.16309	0.9
87.04492	0.8
91.05466	53.4
92.05794	1.4
93.07030	72.8
94.07383	1.6
95.04956	15.4
95.08592	41.0
96.08933	1.0
97.02863	6.7
97.06513	22.9
97.10142	5.7
99.04466	1.6
99.08064	4.8
103.05458	2.2
105.04491	1.1
105.07013	44.1
106.07372	1.8
107.04941	12.0
107.08575	42.1
108.08910	1.7
109.02840	2.2
109.06511	8.5
109.10141	16.9
111.04430	1.9
111.08068	7.2
111.19170	0.9
113.09612	2.6
115.05453	2.8
116.06215	1.1
117.07000	20.1
118.71829	0.9
119.08566	32.9
121.06490	6.2
121.10123	24.2
123.04482	1.3
123.08048	6.5
123.11693	6.0
125.09622	4.7
127.03904	3.0
128.06203	2.8
129.05446	1.6
129.06978	9.2
130.07762	1.9
131.08548	26.3
133.06447	3.0
133.10115	31.0
134.10490	1.0
135.08031	6.9
135.11664	22.8
135.12646	1.8
137.09607	3.1
139.11166	1.3
141.06984	2.9
142.07715	1.7
143.08557	8.2
144.09247	1.2
145.06540	1.2
145.10112	21.3
147.08035	2.9
147.11668	13.8
149.09596	14.7
149.13240	21.3
151.11172	4.5
154.07713	1.3
155.08563	3.6
157.10106	8.2
159.08012	1.7
159.11656	18.8
161.09608	2.8
161.13246	7.1
163.11171	10.1
165.12720	2.6
169.10081	4.2
171.11664	5.6
173.04456	2.0
173.09599	1.5
173.11890	1.4
173.13213	5.3
173.32541	1.0
175.11171	2.8
175.14888	1.8
177.12750	8.4
179.14304	4.1
181.10077	1.2
181.12222	3.3
183.11659	4.6
185.13252	2.3
187.11200	2.3
187.14812	1.7
189.11143	1.8
193.10217	1.0
193.12199	1.9
195.11861	2.3
195.13799	12.5
197.13271	3.4
199.14864	1.6
209.13318	1.4
213.14856	2.8
215.14198	1.0
227.12767	4.6
229.14276	1.2
229.19504	2.5
239.17921	3.9
241.19646	1.3
247.20509	2.3
251.16382	1.8
253.14313	2.2
255.15823	15.8
255.17998	1.1
257.18954	9.2
259.16983	0.9
259.20511	2.6
267.15921	4.3
269.17438	54.6
270.17862	1.7
275.20032	36.8
276.20297	1.4
285.14465	1.4
291.19415	1.8
292.20062	1.7
293.21036	3.6
321.24152	1.2
331.22537	3.8
349.23669	28.1
350.23956	1.2
367.24731	6.7
413.21652	2.7
423.27429	1.9
431.27939	1.4
433.31073	1.5
435.27304	3.5
439.26764	1.6
445.29419	2.3
449.28894	28.7
451.32245	1.2
463.30521	49.3
464.30649	2.0
469.33096	1.8
475.10864	0.9
503.33649	1.4
511.34192	1.0
515.36920	2.0
525.35742	3.5
527.37335	1.1
529.35278	6.5
543.36707	28.8
544.37030	1.5
547.35663	1.1
561.37744	6.5
607.34729	1.3
623.42896	4.2
641.43854	2.2
687.40369	1.4
699.28680	1.0
857.45435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	9.5
67.05497	71.7
69.03396	2.7
69.07060	6.4
69.45317	14.2
71.04973	4.7
71.08621	15.5
73.02904	2.0
73.80838	1.5
75.14114	1.4
79.05489	5.0
81.07042	18.6
83.08591	10.5
85.02904	10.3
85.06498	1.9
85.10169	9.3
91.03942	8.6
91.05473	8.9
93.07023	7.4
95.08598	14.6
97.02868	7.5
97.10155	4.4
98.20746	3.8
99.32999	1.5
103.05559	1.8
105.07022	3.3
107.08595	5.0
109.10142	64.9
111.08085	2.2
119.08588	5.4
119.90135	1.7
121.10151	2.0
123.11694	2.2
127.03905	2.6
133.10114	3.1
137.09528	2.6
145.04948	2.8
148.74901	1.7
155.10603	3.6
163.06006	6.7
173.11723	17.2
202.15921	5.8
229.14325	100.0
267.26859	1.6
300.13553	4.5
301.21155	1.6
335.25656	6.6
341.30478	73.7
341.34631	3.7
342.30841	1.9
381.61044	1.7
430.35599	1.8
489.35699	7.5
495.40433	63.1
496.40829	2.7
748.61462	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	854.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	8.2
63.02321	3.5
65.03923	11.0
67.05159	5.4
67.05499	100.0
69.03427	10.4
69.07064	48.1
69.50195	20.3
69.50623	14.8
71.04984	26.0
79.05484	86.7
81.03400	16.5
81.07045	95.9
82.07363	4.4
83.04957	11.4
83.08593	18.5
84.76893	4.9
85.02894	9.5
85.06533	4.4
91.05468	88.8
93.07034	82.5
95.04939	18.6
95.08591	66.9
96.42416	3.6
97.02862	6.6
97.06512	11.4
97.10150	7.9
97.45863	3.7
98.20716	8.1
99.08058	11.4
105.07015	82.6
107.04954	9.9
107.08575	53.0
108.86231	5.0
109.02882	4.2
109.06502	8.0
109.10130	25.0
111.08041	7.9
113.09634	7.4
114.21157	4.4
115.05434	5.1
117.07001	38.0
119.08562	61.2
121.06495	5.5
121.10116	30.4
123.08029	6.5
123.11687	6.8
125.09625	5.9
128.06216	5.3
129.07001	30.6
131.08557	43.9
133.06456	6.1
133.10097	46.0
135.07996	6.0
135.11639	15.2
141.06973	10.1
142.07730	5.1
143.08559	30.0
145.10097	37.9
147.07970	4.8
147.11691	30.8
149.09598	15.7
149.13190	9.1
150.73827	5.2
151.11174	7.8
155.08514	18.6
157.10150	19.4
159.11630	30.6
161.13248	16.9
163.11183	9.2
165.12697	6.3
167.08638	6.2
169.10115	16.9
171.11702	21.8
173.13219	17.2
175.14821	5.9
177.12700	5.6
181.10060	11.5
183.11624	13.7
185.13168	11.5
195.11623	4.3
197.13194	12.3
199.14821	7.8
209.13264	7.5
241.19418	8.7
255.69223	4.1
257.18924	8.0
259.20578	23.0
269.17325	6.7
273.18579	4.4
275.19922	21.5
298.35992	4.7
313.27338	6.0
315.23260	5.9
329.11734	4.1
333.24292	30.4
347.64023	3.9
349.23984	7.7
387.16977	4.4
435.32523	10.3
513.35773	40.0
527.37329	51.0
607.43542	28.2
609.80066	4.1
614.04688	4.8
625.44470	21.4
639.45886	5.4
832.56458	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	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.0
65.03928	7.7
66.47267	1.9
67.05499	66.1
69.03421	7.3
69.07063	16.6
69.53505	14.7
71.04998	5.0
75.39338	1.7
77.03957	2.0
79.05485	40.9
81.03400	8.1
81.07044	50.4
83.04954	9.8
83.08604	7.4
85.06546	11.5
89.72039	1.9
91.05472	41.6
93.07030	44.4
95.04959	65.8
95.08587	21.9
97.02887	4.7
97.06519	11.9
97.10160	5.5
105.04517	2.2
105.07015	34.5
107.04950	14.6
107.08590	30.6
109.06502	52.2
109.10128	9.5
111.08064	6.7
113.05991	30.8
115.05460	2.5
117.07018	19.4
119.08576	21.8
121.06503	6.9
121.10104	12.6
123.08059	3.4
123.11655	4.0
127.03901	2.3
128.06212	2.4
129.07001	11.2
131.08554	26.2
133.06476	4.6
133.10098	15.5
135.08035	41.3
135.09050	2.2
135.11644	10.2
137.09569	2.5
143.08549	11.2
145.10112	17.1
145.96518	1.9
147.08028	7.7
147.11702	10.1
149.02332	2.5
149.09593	10.4
149.13219	7.7
155.08496	3.7
157.10107	10.9
159.08032	2.7
159.11661	9.7
161.09576	10.3
161.13213	2.8
163.11180	10.4
167.08565	2.1
169.10098	1.9
171.11652	7.1
173.09561	3.1
173.13235	5.1
175.11208	3.4
177.12726	4.1
183.11685	3.3
185.13249	3.1
199.11156	2.9
199.14760	4.1
201.12668	3.3
217.15955	10.3
227.12674	4.1
229.14265	2.4
239.17949	2.4
255.15880	7.7
255.67297	1.9
257.18854	3.2
269.17404	18.1
273.18515	39.0
274.18842	2.5
275.20044	18.0
291.19507	100.0
292.19931	2.7
333.24185	3.1
347.22067	8.2
349.23706	18.6
365.23175	20.9
367.24789	2.6
381.22815	2.1
541.35114	11.6
545.34668	11.4
559.28162	3.0
559.36243	36.6
560.36285	3.3
621.41443	9.8
639.42822	18.0
657.43213	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	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	7.4
67.05497	80.9
69.03420	6.0
69.07072	24.4
70.06584	5.1
70.67221	4.9
70.67553	10.3
71.04971	4.7
71.55015	3.9
79.05489	49.3
81.03403	8.1
81.07053	64.0
83.04974	7.7
83.08599	13.4
85.02911	4.4
85.06514	12.1
91.05468	47.4
93.07033	58.9
95.04961	66.7
95.08605	28.9
96.59052	4.8
97.06524	13.2
97.10165	9.6
105.07016	41.5
107.04933	14.0
107.08585	29.3
109.06510	65.2
109.10114	7.0
113.06007	26.3
115.05410	3.9
117.06979	21.7
119.08572	24.6
121.06497	7.8
121.10101	17.6
123.62175	4.1
128.06253	4.2
129.06992	12.2
131.08568	24.8
133.10117	14.3
135.08022	38.9
135.11647	14.4
137.05937	8.7
137.09521	5.7
143.08548	13.7
145.10081	17.7
147.07991	8.9
147.11671	6.7
149.09598	16.5
149.13278	5.0
157.10130	10.8
159.08012	5.2
159.11668	15.7
161.09615	8.1
163.11137	13.0
169.10057	6.6
171.11714	7.0
173.13277	7.2
175.11050	6.0
177.12717	7.6
183.11589	4.4
185.13356	4.0
201.12805	4.6
213.59375	4.3
217.15894	13.3
226.50978	4.4
233.77934	4.1
245.19193	5.2
257.18814	4.3
269.17590	20.6
273.18448	38.7
275.20123	22.6
291.19543	100.0
292.19724	4.5
347.22089	12.8
349.23593	17.8
365.23178	18.8
403.07446	5.1
415.21512	4.7
503.37390	4.3
541.34863	10.6
545.34454	11.2
559.36169	39.2
621.40656	7.0
639.42401	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	854.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.4
61.19502	0.6
61.37110	0.6
65.03918	4.6
66.83286	0.6
67.05493	55.0
68.05856	0.7
69.03419	13.9
69.07057	44.9
70.07368	0.7
71.01328	0.7
71.04989	4.3
71.60765	0.7
74.06051	0.7
79.05480	48.6
81.03404	11.3
81.07042	51.2
82.07410	0.8
83.04967	10.8
83.08605	15.1
85.02879	2.9
85.06529	3.0
86.09684	0.7
91.05467	42.6
91.70933	0.6
93.03329	0.7
93.07030	45.5
94.04167	1.0
94.07330	1.0
95.01287	1.7
95.04956	15.2
95.08588	24.7
97.02880	10.5
97.06515	13.9
97.10152	16.9
99.04409	1.3
99.08073	2.3
103.05420	2.3
105.04478	1.3
105.07011	32.2
106.07320	0.8
107.04936	11.4
107.08576	30.3
109.02873	1.5
109.06503	7.6
109.10131	11.8
111.04417	1.9
111.08063	4.4
115.05438	2.0
117.07004	15.0
118.36308	0.6
119.04926	1.5
119.08563	24.1
120.05723	1.4
121.05840	0.7
121.06508	6.4
121.10128	12.5
123.04440	1.7
123.08046	6.5
123.11690	2.7
125.09608	12.4
127.03890	2.7
127.41141	0.7
128.06190	1.9
129.05455	1.1
129.06978	8.1
130.07726	1.3
131.08540	18.3
131.09464	1.2
132.08881	0.8
133.06479	4.5
133.10118	17.4
133.11137	0.8
134.07286	1.5
135.08040	6.2
135.11673	9.8
136.06094	0.7
137.05942	0.8
137.09566	4.7
139.11221	1.5
141.06929	1.9
142.07742	1.5
143.08536	7.9
145.04881	0.8
145.06459	1.9
145.10103	13.4
147.08029	7.6
147.11662	9.4
149.09608	8.6
149.13228	7.2
151.11168	2.8
153.09056	1.0
155.08507	2.3
157.06432	0.7
157.10075	3.7
159.07973	1.5
159.11674	9.6
161.09546	3.1
161.13226	3.4
162.10338	1.3
163.11159	7.0
163.14751	0.8
165.09109	1.9
165.12677	1.1
167.08531	1.0
169.10072	2.7
169.12236	1.2
171.10210	1.2
171.11665	3.3
173.04459	0.7
173.09554	1.5
173.11798	1.2
173.13271	3.7
175.11157	2.7
175.14755	0.9
177.09103	0.9
177.12700	2.9
179.14272	2.5
181.10179	0.7
181.12193	0.8
183.11676	1.6
185.13220	2.3
187.11180	1.6
187.14801	0.9
189.11186	5.4
189.12700	1.1
191.14229	0.9
193.12248	2.0
195.12004	0.9
195.13814	4.0
197.13211	2.0
201.12579	0.7
203.14235	0.8
205.12222	2.0
213.16321	1.1
215.14044	0.9
216.22658	0.7
223.13211	15.2
223.15295	0.8
227.12680	10.4
227.17842	1.6
229.19394	1.2
233.15337	1.0
235.16881	1.1
239.17900	2.6
245.18964	1.8
247.20575	1.3
249.14737	3.7
253.14287	2.5
255.15643	4.4
257.18942	6.0
267.15857	2.5
269.17432	14.9
273.15701	1.2
273.18454	15.5
275.20016	19.6
276.20218	1.2
289.17850	1.3
291.19495	100.0
292.19873	3.2
293.20953	1.2
309.20584	1.5
331.22787	1.2
335.26041	1.0
336.25677	0.7
347.22137	2.4
349.23666	15.2
365.23172	34.5
366.23596	1.9
367.24612	2.1
461.29047	1.4
466.07016	0.8
519.33160	1.0
535.32489	1.4
541.34924	2.0
543.36786	1.2
545.34583	10.2
559.36267	30.1
560.36279	2.0
621.41107	1.4
639.42523	16.7
640.43121	1.1
657.43335	1.9
863.64789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.0
65.03924	2.3
67.05495	46.5
69.03416	11.1
69.07056	35.7
69.52177	1.8
69.52586	5.0
71.04975	3.3
79.05482	42.6
81.03410	11.6
81.07044	47.3
83.04973	9.7
83.08607	12.3
85.02888	2.8
85.06533	3.1
91.05466	32.1
93.07032	40.3
95.04957	14.6
95.08590	20.4
97.02879	9.5
97.06520	10.4
97.10162	14.8
98.20729	1.5
99.08065	1.7
103.05463	1.4
105.07013	28.2
107.04947	11.0
107.08580	26.1
109.02824	1.2
109.06516	5.7
109.10141	13.7
111.04434	1.8
111.08066	3.1
113.09585	1.1
115.05418	2.2
117.07007	15.6
119.04934	1.2
119.08562	18.9
120.05730	1.0
121.06484	5.0
121.10124	9.8
123.04436	1.3
123.08041	5.5
123.11713	2.6
125.06042	0.8
125.09615	11.6
127.03915	1.6
128.06213	1.7
129.05486	1.0
129.06960	5.5
130.07803	1.6
131.08546	14.5
133.06528	3.7
133.10103	18.2
135.08058	5.5
135.11679	9.5
137.09599	3.8
139.11186	1.2
141.06960	1.1
142.07773	1.0
143.08542	5.9
145.04974	0.8
145.06464	1.3
145.10104	11.8
147.08029	6.3
147.11673	8.4
149.09595	8.1
149.13229	6.2
151.11150	3.8
152.53017	0.7
153.09117	1.3
155.08595	2.2
157.10091	4.7
159.08046	2.4
159.11676	7.8
161.09618	2.6
161.13286	3.7
163.11154	6.0
165.09122	2.0
169.10104	1.8
171.07954	1.0
171.10254	1.5
171.11583	3.8
173.04521	1.1
173.09608	1.2
173.13190	4.1
175.11139	2.1
177.12744	3.0
179.10654	1.2
179.14302	1.0
181.12210	0.9
183.11711	1.6
185.09445	1.0
185.13190	1.3
187.11168	1.7
187.14766	1.2
189.11220	6.0
189.12642	1.2
193.12347	1.7
195.13779	4.2
197.13318	1.2
199.14915	1.1
201.16389	0.9
205.12206	1.4
211.13191	1.0
223.13251	15.8
227.12724	12.0
227.17911	1.1
229.19460	1.8
233.15350	1.5
239.17892	1.4
247.20576	1.3
249.14905	3.7
253.14319	6.0
255.15823	7.2
257.18936	7.0
263.19995	1.4
267.15823	1.3
269.17459	15.1
269.20367	1.0
270.17786	1.4
270.20514	1.0
273.18442	15.9
275.20041	20.2
276.20306	1.0
289.18024	1.4
291.19501	100.0
292.19901	2.7
293.21085	1.0
309.20490	2.2
331.22711	2.2
347.22177	3.0
349.23688	16.3
365.23209	38.1
366.23434	1.5
367.24750	2.2
413.21774	1.4
423.23611	1.1
519.33282	1.7
527.33899	1.1
535.32874	1.0
541.35046	1.3
543.36279	1.1
545.34595	12.4
546.34460	1.1
559.36237	42.1
560.36255	2.6
599.39447	1.1
621.41083	2.1
639.42444	20.1
640.42767	2.3
657.43341	1.7
703.40454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.2
67.05495	38.0
69.03422	9.3
69.07057	25.8
69.39348	4.8
69.39771	1.2
71.05023	3.1
73.02893	0.7
75.00539	0.5
77.03902	0.8
79.05482	32.8
81.03409	7.1
81.07044	45.1
83.04970	8.0
83.08606	10.5
85.02885	2.5
85.06528	1.9
91.05464	29.6
93.07030	35.0
95.04953	9.8
95.08591	19.5
97.02879	8.3
97.06509	9.8
97.10152	10.3
99.04436	0.7
99.08054	1.4
103.05482	1.0
105.07011	22.4
107.04941	8.0
107.08577	21.5
109.02853	1.6
109.06483	5.2
109.09402	0.9
109.10139	11.4
111.04424	1.4
111.08057	4.6
113.09645	0.9
115.05399	1.5
116.79887	0.5
117.07001	11.0
119.04921	0.9
119.07735	1.2
119.08559	17.6
121.06499	5.1
121.10130	10.4
123.04401	1.1
123.08074	3.7
123.11681	3.4
125.09605	7.6
127.03887	2.2
129.05492	1.4
129.06984	4.8
131.08542	14.5
133.06453	3.3
133.10110	19.8
135.08049	3.7
135.11668	8.4
137.09547	3.0
139.07585	0.8
139.11180	1.2
141.06955	1.2
143.08563	4.1
145.06441	0.9
145.10091	10.9
147.08020	5.0
147.11647	6.9
149.09589	7.7
149.13242	9.2
151.11145	6.0
153.08974	0.9
155.08505	1.0
157.10109	4.5
159.08057	1.7
159.11691	9.2
161.09584	3.5
161.13248	2.8
163.11157	5.3
165.09091	1.8
165.12729	0.9
167.08490	1.0
167.14117	0.7
169.10078	1.4
169.12210	2.1
171.10260	1.0
171.11659	3.6
173.04398	0.7
173.11787	1.1
173.13168	3.6
175.11131	2.1
177.09088	1.0
177.12715	4.3
179.14250	1.4
181.12170	1.4
183.11642	1.5
185.13217	1.3
187.11174	0.9
187.14796	1.1
189.11197	5.8
189.12697	1.1
191.10719	0.7
191.14259	0.8
193.12178	1.4
195.12022	0.9
195.13759	6.1
197.13223	0.8
199.11258	0.7
201.12703	0.8
205.12279	1.8
211.13223	0.9
213.14807	1.8
215.12671	0.8
215.18080	0.9
223.13242	13.8
227.12723	10.4
227.17947	1.0
229.14272	0.7
229.19476	1.5
237.16342	0.8
239.18002	2.4
245.18993	2.4
247.20638	1.5
249.14844	2.3
251.16315	0.8
253.14278	12.1
255.15706	6.7
257.19022	5.0
263.20007	1.9
267.15881	2.7
269.17438	29.9
271.15369	0.8
273.18478	20.4
275.20023	18.4
291.19501	100.0
292.19968	3.5
293.21167	1.4
297.22116	0.7
309.20535	1.6
321.24164	1.2
331.22531	1.5
333.24130	0.7
335.25797	0.6
347.22067	5.7
349.23691	17.7
365.23175	47.9
366.23575	1.9
367.24890	3.2
390.27661	0.7
413.21817	1.3
447.27344	1.4
449.29800	0.8
454.91699	0.7
461.28998	1.8
465.28201	1.6
477.28543	0.7
479.29883	1.0
485.32700	0.8
517.34729	0.6
519.33118	1.9
527.33392	1.9
541.35217	4.2
545.34650	16.4
546.35071	1.2
559.36230	75.1
560.36316	4.0
583.37073	0.6
621.41211	1.5
639.42352	16.6
640.42456	1.4
657.43372	3.3
703.40417	1.2
757.72046	0.7
820.81586	0.7
854.45233	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	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	15.5
65.03921	3.5
67.05493	82.8
69.03414	6.4
69.07056	14.7
71.01348	1.2
71.04984	6.3
71.61761	1.6
71.62138	1.7
73.02908	9.2
73.06744	1.1
79.05481	38.9
81.03410	17.4
81.07042	61.3
82.07382	1.7
83.01340	1.4
83.04966	8.1
83.08604	16.9
85.02891	29.0
85.06537	4.2
87.04443	4.6
91.03949	13.2
91.05469	28.0
93.07030	43.2
95.04951	9.4
95.08591	23.9
97.02872	15.0
97.06529	10.5
97.10144	14.0
99.04420	2.6
99.08064	2.7
103.03938	1.1
105.04423	1.3
105.07011	12.8
107.04951	4.5
107.08572	28.0
109.06509	5.0
109.10139	51.9
111.08067	8.0
115.03899	1.9
115.05347	1.1
117.06986	8.6
119.08557	11.3
121.06499	2.9
121.10114	11.7
123.08053	3.7
123.11692	4.3
125.09608	13.7
127.03880	6.2
129.05473	4.7
129.06989	3.6
131.08539	9.1
133.10110	12.9
135.08015	3.9
135.11684	9.1
137.09619	4.1
143.10669	2.7
145.04927	6.5
145.10095	6.5
147.08026	1.3
147.11673	7.1
149.02373	3.0
149.09555	1.4
149.13237	11.6
153.12753	3.1
155.08519	1.6
155.10649	2.2
157.10114	2.2
159.11678	6.3
163.05991	8.1
163.11153	8.3
165.12726	4.9
167.07115	1.8
173.09563	2.1
173.10255	1.6
173.11725	17.9
174.12071	1.1
175.11186	3.0
177.05470	1.2
177.12743	3.9
181.12216	3.2
185.13345	1.5
191.10712	3.5
193.12141	7.5
195.13789	16.2
199.13239	7.7
209.11626	6.3
211.13173	6.7
213.14877	1.9
227.12718	7.9
229.14317	58.0
230.14746	2.6
239.16277	5.9
259.78137	1.2
265.14200	1.5
267.15817	15.0
269.17429	57.8
273.40009	1.1
275.20120	1.4
283.15256	10.1
285.17108	2.6
301.16376	20.3
302.16931	1.7
303.04944	12.4
313.16431	1.5
323.18472	1.8
330.07315	1.3
345.09555	1.5
357.24036	1.7
393.26367	3.1
411.27383	4.4
422.26587	1.7
423.27359	45.0
424.27777	2.4
431.27756	4.5
449.28912	2.5
477.28589	3.2
495.29480	100.0
496.29831	6.4
513.23340	2.2
513.30621	32.1
514.31085	2.3
530.23126	1.2
540.51202	1.2
657.34094	1.5
720.59064	1.3
822.45508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	15.5
65.03921	3.5
67.05493	82.8
69.03414	6.4
69.07056	14.7
71.01348	1.2
71.04984	6.3
71.61761	1.6
71.62138	1.7
73.02908	9.2
73.06744	1.1
79.05481	38.9
81.03410	17.4
81.07042	61.3
82.07382	1.7
83.01340	1.4
83.04966	8.1
83.08604	16.9
85.02891	29.0
85.06537	4.2
87.04443	4.6
91.03949	13.2
91.05469	28.0
93.07030	43.2
95.04951	9.4
95.08591	23.9
97.02872	15.0
97.06529	10.5
97.10144	14.0
99.04420	2.6
99.08064	2.7
103.03938	1.1
105.04423	1.3
105.07011	12.8
107.04951	4.5
107.08572	28.0
109.06509	5.0
109.10139	51.9
111.08067	8.0
115.03899	1.9
115.05347	1.1
117.06986	8.6
119.08557	11.3
121.06499	2.9
121.10114	11.7
123.08053	3.7
123.11692	4.3
125.09608	13.7
127.03880	6.2
129.05473	4.7
129.06989	3.6
131.08539	9.1
133.10110	12.9
135.08015	3.9
135.11684	9.1
137.09619	4.1
143.10669	2.7
145.04927	6.5
145.10095	6.5
147.08026	1.3
147.11673	7.1
149.02373	3.0
149.09555	1.4
149.13237	11.6
153.12753	3.1
155.08519	1.6
155.10649	2.2
157.10114	2.2
159.11678	6.3
163.05991	8.1
163.11153	8.3
165.12726	4.9
167.07115	1.8
173.09563	2.1
173.10255	1.6
173.11725	17.9
174.12071	1.1
175.11186	3.0
177.05470	1.2
177.12743	3.9
181.12216	3.2
185.13345	1.5
191.10712	3.5
193.12141	7.5
195.13789	16.2
199.13239	7.7
209.11626	6.3
211.13173	6.7
213.14877	1.9
227.12718	7.9
229.14317	58.0
230.14746	2.6
239.16277	5.9
259.78137	1.2
265.14200	1.5
267.15817	15.0
269.17429	57.8
273.40009	1.1
275.20120	1.4
283.15256	10.1
285.17108	2.6
301.16376	20.3
302.16931	1.7
303.04944	12.4
313.16431	1.5
323.18472	1.8
330.07315	1.3
345.09555	1.5
357.24036	1.7
393.26367	3.1
411.27383	4.4
422.26587	1.7
423.27359	45.0
424.27777	2.4
431.27756	4.5
449.28912	2.5
477.28589	3.2
495.29480	100.0
496.29831	6.4
513.23340	2.2
513.30621	32.1
514.31085	2.3
530.23126	1.2
540.51202	1.2
657.34094	1.5
720.59064	1.3
822.45508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.3
61.02912	1.1
64.79519	0.2
69.03052	0.4
69.03420	6.2
70.64735	0.5
70.65134	0.5
71.01351	0.4
72.98010	0.3
73.02901	0.7
81.03414	1.0
85.02897	4.3
87.04457	3.2
91.03962	0.5
91.05424	0.3
91.60098	0.3
93.03407	0.4
97.02872	4.3
109.02890	0.5
115.03908	2.8
119.04919	0.3
121.02866	0.9
123.04419	1.9
126.02188	0.2
127.03903	1.4
133.04921	2.1
137.02324	31.4
137.03384	1.8
138.02769	0.4
147.04373	1.5
149.02335	0.8
153.01814	0.6
161.05977	1.0
163.03860	2.1
175.03943	0.8
177.05469	0.4
179.07018	0.5
187.03915	0.4
189.05511	1.5
191.03409	0.8
200.04591	0.4
201.05435	0.4
205.05026	0.5
207.02899	0.6
211.03891	0.4
213.05457	0.8
214.06129	0.3
215.03490	0.7
217.05045	0.3
225.05380	0.3
227.03418	0.5
227.07063	0.3
228.04059	0.3
229.04897	1.7
230.05736	0.9
231.06433	0.3
237.05595	0.4
239.03442	0.5
241.04962	0.9
243.03131	0.3
245.04533	0.5
251.03467	0.3
253.05038	0.7
255.02966	0.8
256.03610	0.5
257.04373	2.7
269.04477	0.7
270.05106	0.4
271.02402	1.5
273.03836	1.4
274.04684	1.0
278.51602	0.3
281.04456	1.0
283.02591	0.3
283.05948	0.6
285.03946	0.5
297.03943	0.5
299.05508	0.2
301.03403	1.0
301.20645	0.2
302.04175	2.6
303.04871	6.0
305.07947	0.7
307.06247	0.3
309.03888	0.9
309.07312	0.3
315.05316	0.3
317.06607	0.4
317.14587	0.3
319.06229	0.4
321.07529	0.7
325.03497	0.7
331.05966	1.0
333.07596	1.1
339.04950	0.4
345.07593	0.3
347.09146	0.4
349.06952	1.3
350.07904	0.5
351.08572	1.3
353.06323	0.3
357.07520	0.4
358.21448	0.3
359.05682	0.5
360.06198	0.4
361.07077	1.4
365.06601	0.7
367.08282	0.6
371.05319	0.3
373.07022	0.4
377.06436	2.4
379.08069	0.8
383.04849	0.4
387.04800	0.5
389.06754	0.8
391.08414	0.4
393.05499	1.3
393.10330	0.3
395.07602	0.4
401.06592	1.0
403.08029	0.7
405.05978	3.4
406.06735	1.6
407.07535	5.7
409.05750	0.6
410.06235	1.1
411.05896	0.3
411.10825	3.1
419.07822	0.9
421.05402	7.8
421.10455	0.5
422.06189	0.5
423.07068	4.2
424.07309	0.4
429.05981	1.4
431.07581	1.5
433.05457	3.1
434.06363	0.4
435.07217	0.7
437.08481	0.4
439.10159	0.4
447.07144	2.3
449.08633	2.0
451.06525	1.1
453.08075	2.3
457.05502	1.1
459.07095	1.3
465.08344	0.9
467.09686	27.8
468.10092	1.2
475.06558	7.2
476.07010	0.5
477.08090	2.5
479.06131	2.1
493.07520	4.4
495.09402	0.6
497.07132	1.3
503.06046	4.2
511.08484	2.0
521.07025	4.5
529.57538	0.3
539.08026	4.4
540.08356	0.4
557.09186	100.0
558.09448	4.1
581.08905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.8
65.03915	1.0
67.05494	22.1
69.03418	7.6
69.07056	25.5
69.07435	1.4
71.04970	1.5
71.33664	1.0
71.34016	1.1
73.62049	0.6
79.05025	1.2
79.05479	20.0
81.03402	5.7
81.07043	17.7
83.04971	5.0
83.08617	7.7
85.02866	1.3
85.06532	0.8
91.05466	17.4
93.07034	12.5
93.85492	0.6
95.01312	1.2
95.04948	7.5
95.08585	8.5
97.02871	9.7
97.06523	4.0
97.10146	9.9
103.05485	0.7
105.07007	12.6
105.07645	1.2
107.04944	8.1
107.08577	10.8
109.02883	0.8
109.06489	2.9
109.10136	5.8
111.04439	1.2
111.08073	2.3
115.05420	1.0
117.06995	7.1
119.04942	1.3
119.08559	10.7
120.05684	0.6
121.06483	4.6
121.10110	4.6
123.04417	0.8
123.08040	3.0
123.11665	1.1
125.09601	7.5
128.06226	0.8
129.06950	2.2
130.07774	1.2
131.08530	7.6
133.06445	2.6
133.10112	4.7
134.07274	1.5
135.08061	3.7
135.11665	2.2
137.09595	1.9
141.06961	0.9
142.07787	0.8
143.08592	2.8
144.33635	0.6
145.06407	1.4
145.10059	5.1
147.08052	5.2
147.11662	3.1
149.09583	2.3
149.13226	2.5
151.11208	0.7
157.10088	2.5
159.08121	0.7
159.11668	2.3
161.09589	2.6
161.13260	1.1
162.10347	1.1
163.11174	1.8
165.09048	1.4
167.08424	0.7
169.10114	1.0
171.11650	1.6
173.09650	0.9
175.11151	2.4
177.12717	1.6
187.14911	0.7
189.11183	3.7
189.12735	1.0
193.12190	1.4
195.13754	1.0
205.12161	1.3
211.13196	1.0
223.13245	17.6
224.13562	0.7
227.12706	5.3
240.74039	0.7
249.14874	3.5
255.17386	1.1
257.19080	0.7
257.45828	0.6
261.14792	0.6
262.15543	0.7
267.15927	0.7
273.18457	15.7
289.17950	0.9
291.19492	100.0
292.19748	2.4
309.20563	0.8
347.22015	2.9
363.21622	1.0
365.23166	42.6
366.23495	1.1
535.32294	1.0
557.34406	2.4
587.35162	1.1
621.41406	0.8
627.42438	0.8
637.40802	1.7
655.41943	39.5
656.41748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.2
68.99771	0.9
69.03378	0.3
69.56600	0.2
70.06544	0.3
79.05432	0.5
81.03349	0.2
84.08092	0.3
85.02852	0.5
91.05425	0.4
93.06990	0.3
95.01268	0.8
95.04906	0.4
97.02837	0.3
97.06473	0.3
98.21529	0.5
100.47884	0.2
103.05408	0.2
105.06960	0.2
107.04944	1.4
109.02798	0.2
114.18251	0.2
117.06959	0.2
121.06429	0.7
123.00727	0.8
123.04328	0.5
127.16906	0.2
130.04207	0.2
131.04848	0.3
133.06398	0.4
134.03549	0.3
135.04369	1.4
137.02245	0.3
137.05878	0.7
139.00128	0.2
139.03873	0.3
139.07484	0.2
145.02817	0.4
145.06447	0.2
147.04388	1.0
148.05147	0.4
149.02368	0.2
149.05928	1.4
150.03023	0.2
150.06671	0.4
151.03828	0.2
151.07460	0.5
153.00656	0.3
153.01796	4.2
153.05324	0.3
157.06424	0.4
161.02286	0.3
161.05949	0.9
162.03079	0.4
162.06766	1.0
163.03876	5.1
163.07518	0.3
164.04585	0.5
165.09068	0.5
166.06247	0.2
167.03334	0.2
167.07005	1.1
169.01224	0.7
170.02008	0.2
171.04283	0.2
175.03828	0.5
175.07457	0.2
176.04648	0.4
177.05426	3.2
177.06931	0.3
178.06219	19.3
179.03403	0.9
179.06827	0.9
181.04861	0.7
185.05872	0.7
186.06668	0.2
187.03777	0.2
189.05383	0.3
189.09044	0.3
191.03381	1.4
191.06981	5.2
192.07729	1.8
193.04909	0.3
193.08527	0.9
195.06445	0.3
197.05933	0.5
198.06767	0.3
199.03815	0.4
199.07445	0.5
200.04602	0.3
201.05414	0.6
201.09067	0.2
202.06276	0.2
203.03445	0.4
203.07065	0.3
204.07808	0.4
205.04932	1.2
205.40372	0.2
206.05640	1.0
207.02644	0.2
207.06335	0.3
212.04706	0.4
213.05382	1.8
214.06158	0.5
215.03331	0.5
215.06990	0.7
216.04163	0.6
216.07619	0.5
217.04883	1.1
217.08354	0.2
218.05650	0.2
219.06456	0.7
221.08008	0.4
222.05186	0.3
225.05469	0.2
226.06136	0.2
227.03291	0.5
227.06966	1.0
228.04140	0.5
228.07657	0.6
229.04878	1.3
229.08478	0.5
230.05679	0.5
231.02824	0.5
231.06488	1.2
232.07074	0.3
233.07841	0.3
239.03323	0.5
239.06946	0.3
240.04070	0.4
241.04909	2.8
241.08615	0.3
242.05644	0.8
243.02820	0.3
243.06519	1.1
244.03583	0.8
244.07246	0.3
245.04295	0.6
245.08064	0.8
246.08826	0.4
247.09488	0.3
251.03377	0.2
253.04886	0.8
254.02011	0.5
254.05698	0.5
255.02888	3.2
255.06439	1.3
256.03491	0.3
256.07108	0.3
257.04556	0.9
257.08041	3.0
258.05231	1.2
258.07742	0.2
259.06039	1.7
259.08487	0.3
265.04822	0.2
265.08139	0.2
267.02914	0.5
267.06302	0.4
268.03680	2.3
268.06604	0.3
269.04401	5.0
269.07532	0.3
270.05069	1.0
270.08206	0.2
271.02332	1.3
271.05930	0.7
272.03058	0.4
272.06555	0.4
273.04288	0.3
273.07495	1.8
274.04767	0.4
275.08856	0.2
281.04410	0.8
282.01733	0.4
282.05197	0.7
283.02344	1.7
283.05933	4.0
284.03134	0.8
284.06696	3.7
285.03915	2.1
285.07492	8.5
286.04608	1.6
286.07965	0.4
287.05420	3.3
287.08710	0.3
288.05994	0.2
295.05988	0.6
296.03287	0.4
296.06607	0.4
297.03940	4.5
297.07388	0.8
298.01315	0.4
298.04639	2.8
298.08075	0.4
299.01782	0.9
299.05444	2.1
299.08951	0.6
300.02536	1.1
300.06158	1.3
300.09406	0.3
301.03381	0.5
301.06967	5.3
301.10461	0.3
311.05380	2.2
312.06213	10.7
313.03415	2.2
313.06937	16.0
314.04077	2.6
314.07605	1.2
315.04977	16.2
315.08533	1.9
316.05432	1.2
316.09406	0.8
325.07013	0.3
326.07797	0.8
327.05023	0.3
327.08578	1.3
328.05627	1.0
329.06482	9.9
329.09784	0.5
330.07263	7.7
331.08014	1.5
343.08112	2.4
344.08844	34.6
345.09598	20.8
346.10013	1.0
359.07556	0.7
418.06790	0.2
436.07800	0.2
450.09494	0.3
467.09518	0.3
493.07620	0.3
553.20673	0.2
554.21045	0.3
555.21136	0.7
577.22272	0.2
609.06970	0.2
627.07489	0.8
629.12622	0.8
639.11194	0.6
641.12061	0.4
642.10791	0.3
655.14044	0.4
657.12219	5.3
658.12415	0.6
672.14722	0.5
687.16925	100.0
688.17212	9.6
688.29382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	7.2
67.05475	1.7
68.05013	0.5
69.03429	0.6
69.07058	1.4
69.37776	4.2
70.06582	26.5
71.08631	3.6
72.08155	0.6
79.05471	0.8
81.03387	1.5
81.07043	1.3
84.08148	0.5
85.10152	1.5
88.07620	31.1
91.05489	1.1
91.93642	0.5
93.03413	0.6
93.06996	0.8
95.04951	0.8
95.08562	1.0
97.02851	0.9
97.10138	0.5
102.09167	22.5
105.03358	0.9
105.06918	0.5
107.08533	0.5
109.10126	0.5
119.08549	0.8
121.02831	2.9
131.04904	0.9
133.02766	0.7
136.01547	0.6
139.03902	3.6
145.10141	0.6
147.04330	2.7
149.02328	100.0
149.03397	6.0
150.02657	1.3
175.03897	3.2
177.05414	2.4
180.04108	0.9
191.06998	1.4
193.04944	52.9
194.05260	0.9
212.23718	0.8
219.06476	3.4
225.05562	0.8
237.07530	11.6
256.26315	74.0
257.26559	1.2
269.04480	0.9
297.03940	0.8
300.29056	1.5
313.07013	1.0
341.06454	3.8
343.08099	1.3
359.07587	1.7
385.09064	7.3
411.10959	0.6
429.11954	2.1
458.62091	0.6
533.10864	1.5
577.13318	8.8
621.15997	15.1
621.26160	1.0
622.16675	0.8
631.22626	0.5
640.34943	0.9
804.81055	0.6
832.38568	2.3
850.39941	94.2
851.40125	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	849.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96349	0.2
67.05488	0.3
68.99774	0.4
69.03414	0.5
70.01466	0.2
70.06584	0.5
71.59410	0.3
79.05467	0.4
81.03416	0.6
81.07047	0.3
85.02889	0.5
87.34814	0.2
89.03931	0.2
91.05460	0.7
93.07021	0.3
95.04959	0.3
97.02893	0.4
97.06538	0.3
105.07071	0.2
107.04952	0.6
107.08575	0.4
108.05690	0.3
119.04958	0.2
119.98923	0.2
121.06512	0.4
123.04396	0.4
125.06028	0.3
133.06511	0.2
134.03613	0.3
135.04396	0.5
136.05190	0.4
137.05975	0.9
145.02892	0.4
147.04437	0.7
149.02194	0.3
149.05969	1.3
151.03941	0.2
151.07504	1.9
153.01852	0.5
153.05414	0.4
161.02390	0.4
161.05971	0.5
163.03893	1.7
164.04628	0.6
165.05473	0.6
166.06262	0.2
167.07030	0.8
175.03883	0.4
177.05426	2.0
178.06256	3.2
179.03421	1.0
179.07010	1.5
181.04887	0.2
181.08549	1.4
181.09972	0.2
189.01874	0.6
191.03368	1.7
191.06981	2.9
192.07828	0.4
193.04955	1.4
193.08620	0.3
195.06526	0.6
201.05428	0.2
202.02625	0.4
203.03333	0.4
203.07056	0.2
205.04976	2.2
206.05736	0.4
207.02788	0.3
207.06471	0.3
213.05383	0.3
215.03629	0.2
215.06993	0.2
219.06477	0.5
221.04410	1.1
222.05095	0.3
229.01393	0.5
230.01912	0.2
231.02811	0.3
231.06528	0.4
236.06770	0.8
241.04988	0.5
243.06615	0.3
255.02879	0.5
257.00864	0.5
257.08292	0.3
258.01477	1.0
259.02460	0.8
259.06158	0.3
269.04459	0.8
271.02316	0.2
274.01077	0.4
283.02707	0.3
283.06064	0.6
284.03317	0.3
284.06680	0.3
285.00345	0.3
285.04373	0.2
285.07611	0.9
287.05530	0.6
297.03970	0.5
297.07178	0.3
298.04630	0.3
299.05420	0.5
301.03497	0.3
303.01212	0.4
311.05554	0.4
312.06253	1.9
313.07037	1.4
315.04913	2.4
315.08203	0.3
316.05334	0.3
316.09476	0.3
323.05576	0.3
325.07193	0.2
329.06705	0.4
330.07141	1.1
331.08081	0.7
335.05618	0.3
337.07071	0.3
344.08984	1.9
345.05038	0.3
345.09595	3.4
346.10098	0.3
347.05487	0.6
349.07220	0.3
351.08896	0.2
357.09814	0.3
359.05765	0.3
361.07104	0.5
363.04861	0.4
374.04291	0.3
375.04874	1.4
377.06628	0.4
378.03552	0.3
389.06717	0.9
390.03500	0.3
391.04422	0.8
392.05170	0.4
393.06049	0.9
402.03769	0.8
403.04355	2.1
404.05072	0.4
405.06039	0.7
406.02924	0.5
407.07846	0.4
417.06253	0.5
418.06799	6.9
419.07660	0.8
420.04486	1.2
421.05139	2.6
422.06357	0.5
431.03888	0.4
433.05518	0.4
434.06491	0.3
435.07144	0.9
436.07843	7.7
437.08344	0.6
447.03149	2.1
450.09528	5.8
450.15894	0.3
451.10272	3.2
456.13837	0.5
457.14087	0.3
458.14481	0.3
461.08759	0.7
463.06702	0.9
465.07553	0.4
466.08875	0.4
467.09732	0.6
475.07214	0.3
477.08154	4.0
479.09338	0.3
507.06573	0.3
537.09131	0.4
549.08398	0.3
553.07526	0.6
554.21460	0.3
555.21857	0.4
571.09149	0.3
581.06848	0.5
583.12048	0.3
595.11658	0.3
607.09094	0.4
609.06897	0.5
611.11945	1.1
613.14496	0.3
621.09521	0.2
623.11395	1.0
625.10022	0.5
629.12756	0.8
639.11078	3.2
640.11896	0.4
641.12512	1.4
642.14203	0.2
654.13635	1.9
655.14099	0.5
657.12170	3.6
658.12579	0.3
659.17255	0.3
671.13416	0.3
687.16949	100.0
688.17310	9.6
688.29321	0.3
849.24988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	3.2
61.02915	9.9
61.24446	0.5
65.03937	1.5
66.37050	0.5
67.05495	83.2
68.05830	1.6
69.03419	2.5
69.07056	6.6
71.04976	3.2
71.60570	0.7
72.38377	0.5
73.02894	2.4
79.05484	14.7
81.03405	1.1
81.07045	32.3
83.04981	1.3
83.08607	7.2
85.02892	11.8
85.06524	2.8
88.69833	0.4
91.03951	7.0
91.05462	11.5
93.07033	21.0
95.04948	1.4
95.08591	22.7
96.08949	0.7
97.02892	5.8
97.06522	1.0
97.10149	2.3
99.04434	1.1
99.25257	0.6
103.03918	0.9
105.07027	6.3
105.66409	0.5
106.11050	0.5
107.08582	12.8
109.06503	0.8
109.10138	65.9
110.10499	1.1
111.08083	2.9
115.03935	0.6
117.07010	2.3
119.08566	9.5
119.79641	0.4
120.65786	0.5
121.10127	9.6
121.78548	0.5
123.08070	0.6
123.11703	3.7
125.09581	1.5
127.03894	3.2
131.08542	5.4
133.10121	5.2
135.11667	6.0
137.09569	2.9
137.13242	1.4
143.08551	0.6
145.04904	4.1
145.10103	3.9
147.11655	3.3
149.13255	4.3
155.10666	4.1
158.26176	0.5
159.11679	3.7
161.13231	2.8
163.06038	4.2
163.14789	2.5
169.46428	0.5
171.11479	0.6
173.11732	21.6
173.13231	2.9
175.14847	1.0
177.16383	1.3
180.85454	0.5
183.11461	0.5
185.13225	0.6
187.14832	1.3
189.11147	1.0
213.14777	0.8
227.12732	6.6
229.14317	100.0
230.14688	2.2
243.21010	4.8
259.20462	0.8
261.22119	17.1
262.22531	0.7
279.23291	0.7
291.23352	0.5
317.24622	2.9
335.25754	60.2
336.26041	3.0
377.26953	0.6
379.29810	1.1
397.30838	1.5
415.31891	2.0
449.33145	0.6
471.34708	1.8
489.35696	45.2
490.36081	3.6
507.36752	6.3
523.96960	0.6
541.33752	0.5
764.02167	0.7
848.50812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96349	0.2
67.05488	0.3
68.99774	0.4
69.03414	0.5
70.01466	0.2
70.06584	0.5
71.59410	0.3
79.05467	0.4
81.03416	0.6
81.07047	0.3
85.02889	0.5
87.34814	0.2
89.03931	0.2
91.05460	0.7
93.07021	0.3
95.04959	0.3
97.02893	0.4
97.06538	0.3
105.07071	0.2
107.04952	0.6
107.08575	0.4
108.05690	0.3
119.04958	0.2
119.98923	0.2
121.06512	0.4
123.04396	0.4
125.06028	0.3
133.06511	0.2
134.03613	0.3
135.04396	0.5
136.05190	0.4
137.05975	0.9
145.02892	0.4
147.04437	0.7
149.02194	0.3
149.05969	1.3
151.03941	0.2
151.07504	1.9
153.01852	0.5
153.05414	0.4
161.02390	0.4
161.05971	0.5
163.03893	1.7
164.04628	0.6
165.05473	0.6
166.06262	0.2
167.07030	0.8
175.03883	0.4
177.05426	2.0
178.06256	3.2
179.03421	1.0
179.07010	1.5
181.04887	0.2
181.08549	1.4
181.09972	0.2
189.01874	0.6
191.03368	1.7
191.06981	2.9
192.07828	0.4
193.04955	1.4
193.08620	0.3
195.06526	0.6
201.05428	0.2
202.02625	0.4
203.03333	0.4
203.07056	0.2
205.04976	2.2
206.05736	0.4
207.02788	0.3
207.06471	0.3
213.05383	0.3
215.03629	0.2
215.06993	0.2
219.06477	0.5
221.04410	1.1
222.05095	0.3
229.01393	0.5
230.01912	0.2
231.02811	0.3
231.06528	0.4
236.06770	0.8
241.04988	0.5
243.06615	0.3
255.02879	0.5
257.00864	0.5
257.08292	0.3
258.01477	1.0
259.02460	0.8
259.06158	0.3
269.04459	0.8
271.02316	0.2
274.01077	0.4
283.02707	0.3
283.06064	0.6
284.03317	0.3
284.06680	0.3
285.00345	0.3
285.04373	0.2
285.07611	0.9
287.05530	0.6
297.03970	0.5
297.07178	0.3
298.04630	0.3
299.05420	0.5
301.03497	0.3
303.01212	0.4
311.05554	0.4
312.06253	1.9
313.07037	1.4
315.04913	2.4
315.08203	0.3
316.05334	0.3
316.09476	0.3
323.05576	0.3
325.07193	0.2
329.06705	0.4
330.07141	1.1
331.08081	0.7
335.05618	0.3
337.07071	0.3
344.08984	1.9
345.05038	0.3
345.09595	3.4
346.10098	0.3
347.05487	0.6
349.07220	0.3
351.08896	0.2
357.09814	0.3
359.05765	0.3
361.07104	0.5
363.04861	0.4
374.04291	0.3
375.04874	1.4
377.06628	0.4
378.03552	0.3
389.06717	0.9
390.03500	0.3
391.04422	0.8
392.05170	0.4
393.06049	0.9
402.03769	0.8
403.04355	2.1
404.05072	0.4
405.06039	0.7
406.02924	0.5
407.07846	0.4
417.06253	0.5
418.06799	6.9
419.07660	0.8
420.04486	1.2
421.05139	2.6
422.06357	0.5
431.03888	0.4
433.05518	0.4
434.06491	0.3
435.07144	0.9
436.07843	7.7
437.08344	0.6
447.03149	2.1
450.09528	5.8
450.15894	0.3
451.10272	3.2
456.13837	0.5
457.14087	0.3
458.14481	0.3
461.08759	0.7
463.06702	0.9
465.07553	0.4
466.08875	0.4
467.09732	0.6
475.07214	0.3
477.08154	4.0
479.09338	0.3
507.06573	0.3
537.09131	0.4
549.08398	0.3
553.07526	0.6
554.21460	0.3
555.21857	0.4
571.09149	0.3
581.06848	0.5
583.12048	0.3
595.11658	0.3
607.09094	0.4
609.06897	0.5
611.11945	1.1
613.14496	0.3
621.09521	0.2
623.11395	1.0
625.10022	0.5
629.12756	0.8
639.11078	3.2
640.11896	0.4
641.12512	1.4
642.14203	0.2
654.13635	1.9
655.14099	0.5
657.12170	3.6
658.12579	0.3
659.17255	0.3
671.13416	0.3
687.16949	100.0
688.17310	9.6
688.29321	0.3
849.24988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.5
69.57233	1.2
71.61948	2.0
79.05491	1.1
84.51463	0.9
87.98304	1.3
127.51733	1.0
131.61377	1.1
150.80977	1.1
237.58449	1.1
271.56216	1.0
344.84772	1.1
845.47943	100.0
846.47687	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	845.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.9
64.83714	0.4
65.03953	0.5
67.05497	5.7
69.03426	3.3
69.07068	3.0
70.06577	0.8
71.04991	0.7
73.02911	4.2
79.05480	6.3
81.03414	2.5
81.07049	6.4
83.04941	0.5
83.08617	1.4
85.02904	6.0
87.04456	0.6
91.03944	3.3
91.05463	5.6
93.07021	6.9
93.07512	0.7
95.04964	2.2
95.08584	3.7
97.02892	5.0
97.06525	0.8
97.10139	0.6
98.20715	0.9
99.04451	0.9
101.02387	1.9
105.07009	4.5
107.08571	3.8
109.02896	1.0
109.10155	2.1
117.06970	1.2
119.08545	3.9
120.08083	0.7
121.10140	2.2
123.08092	0.6
127.03933	1.7
129.07033	0.8
131.08563	2.1
133.10109	3.2
135.08047	0.5
135.11693	2.0
145.10158	1.4
147.11694	1.9
157.10120	0.7
159.11682	1.2
171.11729	0.7
185.04314	0.8
243.08372	5.4
259.07867	0.6
301.09073	1.8
313.08997	0.9
315.10583	1.3
333.20349	4.5
369.15607	0.7
371.17053	0.6
373.10913	0.9
373.24048	0.7
385.19067	0.5
427.92380	0.5
439.19290	1.2
453.20966	1.5
465.21045	0.9
517.28351	0.6
535.28693	7.6
536.28967	0.9
551.28259	8.1
623.30548	1.5
637.32355	0.6
701.76410	0.5
845.50073	100.0
846.50348	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	3.9
61.02916	11.3
64.79256	0.4
64.89014	0.4
65.03928	3.0
67.05495	100.0
68.05835	1.0
69.03421	2.7
69.07059	8.2
69.79251	3.1
71.04981	4.0
71.08611	0.6
73.02897	3.8
79.05022	1.0
79.05480	20.9
80.43468	0.5
81.03401	1.6
81.07043	41.8
82.07375	0.7
83.04971	1.6
83.08605	8.7
85.02893	13.7
85.06534	3.5
87.04477	0.7
91.03945	8.5
91.05468	14.1
93.07030	26.8
95.04958	2.5
95.08592	29.6
96.04511	0.5
97.02881	7.4
97.06519	2.0
97.10167	1.8
98.20708	0.9
99.04434	0.7
99.08083	1.1
102.95187	0.4
103.03951	0.6
105.04497	0.7
105.07008	9.1
107.08582	16.1
108.08911	0.4
109.02891	0.5
109.06503	1.2
109.10140	77.6
110.10492	1.3
111.08075	3.5
113.06023	0.5
115.03931	0.5
115.62132	0.4
117.06991	4.2
119.08567	11.3
120.08912	0.5
121.10124	12.7
123.08040	0.8
123.11687	3.1
125.09612	1.6
127.03907	3.1
128.07762	0.5
129.06941	0.6
131.08551	6.0
133.10107	6.2
135.11671	8.5
137.09598	3.6
137.13255	1.3
143.08566	0.6
145.04938	3.4
145.10080	4.9
147.11661	4.4
149.13240	5.2
151.11203	0.7
155.10619	3.1
157.10083	0.8
159.11713	3.5
161.13246	4.0
163.06017	3.2
163.14769	2.4
171.11687	0.8
173.11749	20.0
173.13242	4.2
175.14766	1.2
177.16400	0.8
187.14827	1.9
189.11255	0.7
201.16310	1.1
215.17908	0.7
227.12755	5.0
229.14319	82.9
230.14754	2.1
233.22542	0.5
243.21013	4.2
261.22122	19.2
262.82101	0.5
263.23666	0.5
279.06604	0.5
285.22235	0.6
317.24774	2.6
335.25754	64.1
336.26160	2.9
346.92136	0.4
373.18176	1.0
375.58188	0.5
379.29816	1.0
397.30981	1.3
415.31824	0.7
452.83661	0.5
471.34735	2.0
489.35684	57.9
490.35941	3.3
507.36780	4.5
615.38354	0.6
633.39685	0.8
848.50208	1.0
862.78082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00544	0.1
66.50735	0.1
70.19738	0.4
78.79483	0.1
83.81812	0.1
91.05492	0.3
97.02868	0.5
98.20639	0.1
107.04967	0.2
119.04919	0.3
123.04424	0.4
131.04852	0.1
133.02902	0.1
135.04419	0.1
137.02411	0.1
147.04445	0.3
153.01814	1.0
161.02357	0.2
161.05931	0.2
163.03873	0.7
167.03436	0.1
167.07013	0.6
168.49423	0.1
170.02075	0.2
175.03922	0.3
177.05536	0.2
178.02727	0.4
178.06235	3.3
179.03348	0.4
183.02951	0.2
197.06055	0.1
203.03374	0.1
204.04216	0.4
207.06456	0.6
213.05325	0.1
216.04155	0.8
217.04933	0.4
227.03314	0.2
228.04138	0.2
231.06508	0.6
241.04893	0.7
243.06522	0.6
244.03709	0.6
247.49323	0.1
253.04971	0.1
255.02850	6.2
256.03375	0.4
259.05978	1.4
269.04407	2.1
270.04919	0.2
271.06042	0.3
272.03180	0.3
281.04401	0.7
283.02371	1.5
283.05997	0.6
284.03122	0.5
284.06723	0.5
285.03922	0.2
285.07364	0.2
287.05460	7.0
288.05737	0.3
289.10629	0.2
297.03845	1.5
298.04517	0.2
299.05484	1.2
300.02588	2.2
301.03415	0.1
301.07068	0.6
302.07629	0.2
311.05609	0.3
312.06155	1.0
313.06979	0.9
314.07733	0.1
315.04941	39.5
316.05246	1.4
317.10135	0.2
329.06509	1.1
330.07285	18.5
331.07611	0.7
345.09625	100.0
346.09976	4.1
346.14301	0.1
387.10297	0.1
507.14844	0.7
639.18866	0.2
695.65106	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	845.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	0.4
63.02351	0.2
65.03915	0.5
69.03418	12.1
70.06576	0.1
70.15220	0.5
75.04462	0.3
76.03143	0.1
77.03906	0.4
81.03371	0.1
83.01332	0.1
85.02891	4.9
87.00633	0.1
87.03954	0.2
87.04456	2.9
89.03906	0.3
91.05466	9.7
92.05801	0.2
95.04919	0.2
97.02876	3.8
98.03191	0.1
99.04463	0.1
103.05447	0.5
105.03365	0.3
105.07033	0.1
115.03924	2.7
118.04117	0.2
119.04922	19.2
120.05241	0.4
121.02818	0.1
127.03896	3.1
129.03363	0.3
131.04893	0.3
132.02037	0.5
133.02840	0.4
133.04955	1.6
135.04338	0.2
136.05168	0.3
137.05945	0.1
145.02794	0.3
145.04915	0.2
147.04382	17.6
148.04726	0.5
148.38608	0.1
149.02275	0.4
157.03946	1.6
160.01491	0.1
161.06010	0.3
161.42146	0.1
162.03067	0.2
163.03783	0.1
164.04701	0.6
165.36298	0.1
167.07072	0.5
175.03874	37.6
176.04248	1.2
177.05386	0.3
178.06230	0.2
179.03242	0.1
179.07001	1.4
185.05956	0.2
189.05507	0.1
191.06973	0.2
192.04140	1.7
193.04781	0.1
207.06490	100.0
208.06828	3.3
213.05530	0.1
217.04903	0.1
219.06454	0.3
225.07527	5.7
226.07895	0.2
231.06567	0.1
235.05940	0.3
249.07556	0.1
255.02831	0.5
261.07462	0.2
263.09192	0.2
273.07651	0.1
287.05469	0.7
291.08609	0.8
300.02496	0.2
303.08575	0.2
315.04910	2.6
321.09586	0.1
330.07254	1.2
333.09451	0.2
339.10477	0.1
345.09628	7.3
346.09946	0.5
351.10681	8.2
352.11057	0.4
369.11755	15.3
370.12222	0.6
449.12259	0.1
501.16104	0.6
551.15778	0.2
781.33154	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	841.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	1.6
69.07012	0.8
70.86938	0.8
70.87295	0.7
75.23457	0.3
79.05475	1.9
81.03333	0.6
81.06969	2.3
83.08553	0.7
91.05459	1.8
92.20272	0.3
93.06945	1.8
95.04884	0.4
95.08506	1.4
97.06446	0.5
105.04469	0.4
105.06914	1.3
107.08483	1.0
109.10062	0.5
114.85968	0.4
119.08481	1.1
119.09260	0.4
121.10065	0.7
131.08463	1.1
133.10013	1.1
135.11563	0.4
145.10054	0.6
147.11607	0.5
149.13159	0.4
153.13557	0.4
163.03838	0.5
163.11147	0.4
171.11523	0.5
191.03261	0.5
209.10728	0.5
223.12225	0.4
225.13744	0.8
237.13727	0.4
250.37611	0.4
259.20157	0.4
273.18326	0.4
312.14673	0.5
324.15012	0.4
335.25742	1.0
365.23123	0.6
384.91870	0.4
387.15591	0.8
388.16867	0.7
389.17703	1.1
401.17444	2.1
402.18289	1.6
402.55478	0.4
403.19174	3.4
404.19940	0.6
405.20724	1.0
415.14377	0.7
415.20001	2.7
416.20444	2.0
417.16568	0.4
417.20804	6.1
418.21521	3.4
419.22165	1.1
429.16522	3.4
430.17401	1.5
430.21945	1.0
431.18030	8.7
431.23450	0.9
432.18600	0.8
432.23114	1.5
433.23969	12.7
434.24335	1.0
443.17963	1.7
444.19073	7.9
445.19632	11.5
446.20190	3.3
447.21729	1.4
457.20306	1.1
458.20715	1.5
459.21735	64.8
460.22397	17.0
461.23346	15.1
462.23520	0.9
471.21948	1.0
473.23410	4.6
474.24161	1.1
476.21915	1.4
486.24506	0.6
487.20377	1.2
487.24951	2.4
488.26114	0.4
491.24194	1.6
491.30920	0.5
501.22711	1.0
503.24783	0.5
504.25262	0.8
505.27097	2.4
515.24524	0.6
517.22699	0.7
519.23395	11.3
520.23712	0.6
531.23962	4.8
532.24768	1.0
533.25269	0.7
535.27002	0.5
545.24866	0.6
546.26221	2.4
547.26996	59.8
548.27423	3.2
563.26416	1.5
574.25708	1.7
575.25623	0.9
576.23962	0.7
579.30585	0.5
591.26013	3.9
605.27490	0.8
606.28308	100.0
607.29071	80.3
608.29474	4.0
625.45074	1.0
626.44464	0.5
643.44916	0.5
651.26752	0.4
737.29419	1.3
781.28137	0.7
797.31512	6.7
823.29309	2.9
841.30725	9.8
841.46277	0.7
842.31195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	2.5
60.39528	1.4
62.52353	1.3
65.03914	2.9
67.05495	100.0
69.03414	3.0
69.06740	1.7
69.07062	20.8
69.43372	6.1
69.43797	8.6
71.04964	4.2
78.27663	1.3
79.05480	44.5
81.03391	4.2
81.07047	63.8
83.04947	5.4
83.08612	13.3
85.06548	1.8
90.18895	1.6
91.05473	32.0
93.07031	45.9
95.04946	8.1
95.08006	2.9
95.08591	46.9
97.02859	1.8
97.06497	7.6
97.10181	8.3
98.20700	2.0
99.08064	2.9
105.07008	26.1
107.04972	3.1
107.08575	34.3
109.06498	2.5
109.10139	56.6
111.08050	4.5
117.07007	10.3
119.08562	20.2
121.06478	3.1
121.10121	22.5
123.11700	7.1
125.09560	6.8
131.08543	18.5
133.10107	14.4
135.08022	4.4
135.11687	11.1
137.09586	3.8
139.37617	1.5
143.08492	2.8
145.10126	13.9
147.11673	11.9
148.59987	1.4
149.09561	4.1
149.13255	8.6
151.11157	1.8
155.08487	2.6
155.10545	1.5
159.08026	1.7
159.11678	10.9
161.13274	4.6
163.11212	2.3
163.14818	2.9
167.85321	1.6
169.10172	1.8
173.11693	12.2
173.13242	6.1
177.12807	2.0
187.14819	2.0
189.11221	4.7
195.13963	1.6
227.12733	10.1
229.14328	40.8
243.21082	2.6
245.13837	2.6
257.19028	2.1
261.22061	12.7
269.17401	13.2
275.20038	18.2
293.21054	3.2
297.04501	1.5
313.27054	1.8
317.24854	3.3
331.22702	2.1
333.24332	1.5
335.25748	96.7
336.26001	3.2
349.23657	15.2
367.24680	9.9
379.29935	2.0
392.51932	1.4
401.26028	1.8
471.34692	1.8
489.28622	2.5
489.35733	38.0
490.36261	2.0
507.36438	2.7
529.38788	35.1
609.45044	27.4
610.44818	1.9
627.45996	18.1
633.38055	1.8
843.47742	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	841.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07714	0.4
67.05410	1.3
71.35130	0.4
71.35451	0.4
79.05404	0.8
81.03334	0.5
81.06944	1.3
83.08524	0.5
91.05378	1.2
93.06941	1.1
95.08525	0.7
96.43869	0.4
97.06451	0.5
105.06917	0.8
107.08498	0.8
109.10051	0.8
117.06971	0.4
119.08425	0.7
121.09976	0.4
129.06918	0.6
133.09985	0.6
135.11595	0.4
140.82002	0.5
147.11601	0.7
159.11517	0.6
163.03859	0.7
183.42853	0.4
196.07169	0.5
197.10750	0.4
209.10779	0.4
221.10487	0.5
222.11096	0.5
223.12248	0.4
225.13785	1.1
235.11998	0.8
249.13815	0.6
275.15222	0.7
297.12152	0.5
301.81464	0.4
312.14697	0.4
327.35071	0.4
334.24564	0.4
336.92148	0.5
344.25705	1.4
345.26077	0.6
371.91824	0.4
387.15445	0.5
388.16470	0.8
389.17429	0.7
395.85239	0.4
395.90509	0.4
401.17554	1.4
402.18103	1.3
403.19144	3.4
404.19794	1.0
405.20636	0.7
415.14700	0.9
415.19220	1.5
416.20294	2.3
417.20938	4.7
418.21515	2.9
419.21924	1.1
429.16309	3.2
430.17712	1.5
430.22504	0.6
431.17731	7.2
431.22916	1.5
432.18414	0.7
432.23114	1.3
433.23944	11.9
434.24258	0.9
443.18448	1.8
444.18994	6.4
445.19675	10.9
446.20544	3.7
447.21365	0.5
457.20340	0.7
458.20917	1.1
459.21692	70.4
460.22357	19.8
461.23282	12.7
471.21988	0.8
473.23468	5.1
474.23972	1.2
476.21872	1.5
477.22464	0.8
487.20917	1.7
487.24866	2.3
488.25256	0.7
489.22879	0.6
491.24252	1.4
499.20929	0.6
501.23129	0.5
503.24271	0.7
505.26569	2.6
515.24207	0.9
517.22070	0.6
518.23224	0.7
519.23401	11.7
520.24280	0.6
531.23779	4.7
532.24530	1.5
533.25409	1.2
535.27026	0.7
545.25244	1.1
546.26221	2.9
547.26935	61.9
548.27197	5.9
561.21100	0.6
563.26678	2.1
574.25446	3.1
575.26172	2.0
576.23309	1.2
577.25085	0.8
579.29114	0.5
591.26013	5.5
605.27936	0.7
606.28265	100.0
607.28998	65.6
608.29419	4.5
619.23029	0.5
651.25629	0.7
797.31488	5.3
798.33234	0.6
823.29645	9.1
824.30585	0.9
841.30627	16.2
841.45850	0.6
842.31073	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	843.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.0
67.05485	7.4
69.03415	2.5
69.07056	2.9
69.85574	0.9
70.65738	1.0
70.66098	2.6
73.02913	2.6
79.05480	7.0
81.03407	2.2
81.07066	6.1
83.04992	1.4
83.08607	1.5
85.02890	5.4
91.03957	1.1
91.05470	5.2
93.07025	7.7
95.04953	1.6
95.08601	4.3
97.02886	3.6
97.06524	2.2
101.02374	1.8
105.07024	5.4
106.34101	0.8
107.08585	4.2
109.10154	2.2
117.06999	1.2
119.08594	3.0
121.10165	3.3
124.90692	1.0
131.08603	2.8
133.10147	3.4
135.11693	2.0
139.62564	0.8
147.11688	2.1
159.11685	1.1
171.86777	0.8
173.13330	1.0
185.04167	1.0
193.12361	1.2
243.08470	3.0
277.04126	0.9
301.08868	1.2
313.18094	1.6
315.10614	1.2
331.18863	3.4
335.25772	2.1
373.11005	1.5
428.43683	0.9
451.19263	1.8
531.25818	2.5
535.28754	8.1
549.26788	3.3
607.31232	1.3
745.41486	2.5
771.35132	1.1
806.55090	1.0
825.47375	10.1
843.48450	100.0
844.48651	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	843.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.4
64.97295	0.3
67.05495	4.4
69.03409	2.3
69.07062	1.1
70.06570	0.4
71.65738	0.3
72.66782	0.3
73.02913	2.9
79.05487	4.1
81.03411	1.5
81.07043	4.0
83.04968	0.6
83.08607	0.7
85.02898	3.4
85.06540	1.0
91.03948	1.8
91.05452	3.9
93.07037	4.9
95.04958	3.0
95.08590	2.6
97.02875	3.2
97.06528	0.6
99.04482	0.7
100.67081	0.3
101.02365	1.4
105.07021	2.9
107.04914	0.5
107.08575	2.6
109.02868	0.8
109.06506	2.0
109.10123	0.5
113.05980	3.2
117.07007	1.4
119.08560	2.3
121.10120	1.0
127.03902	1.0
129.06987	0.6
131.08562	1.4
133.10106	1.9
135.08052	1.1
135.11649	1.6
136.06213	1.5
143.08582	0.7
145.10136	1.0
147.11714	1.2
149.09688	0.5
149.13229	0.6
159.11613	0.5
161.09663	0.4
161.13283	1.0
171.11717	0.7
173.13258	0.5
184.07579	0.3
185.04187	0.9
185.13292	0.5
203.05292	0.6
243.08356	2.9
287.05487	1.6
288.05984	0.5
289.05945	0.4
301.08994	1.0
315.10599	0.6
331.18750	4.1
341.12128	0.6
385.18195	0.5
387.21387	1.1
402.59344	0.4
444.70831	0.4
465.20987	1.0
495.22046	0.8
535.28699	7.2
549.26862	7.6
550.27002	1.0
621.28839	1.0
682.45325	0.6
823.14478	0.5
841.46820	0.4
843.48480	100.0
844.48724	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36115	3.0
61.02899	4.3
65.03934	6.3
67.05152	5.5
67.05495	100.0
67.53609	2.5
68.05840	3.1
69.03421	20.3
69.07056	56.1
69.29126	11.3
69.29549	24.1
71.04980	16.3
79.05027	5.6
79.05481	98.6
81.03407	25.4
81.07043	98.4
82.07412	3.8
83.04967	13.3
83.08585	12.7
85.02881	12.4
85.06519	5.2
91.04929	4.9
91.05464	61.3
93.06442	4.5
93.07029	85.9
95.04968	21.9
95.08585	61.3
97.02866	9.5
97.06516	80.3
97.10143	8.0
99.04466	3.5
99.08060	5.1
103.03933	2.8
105.07008	48.6
107.04923	11.3
107.08572	39.2
108.71867	3.2
109.02876	6.1
109.06499	21.8
109.10132	27.8
111.08065	7.9
111.78880	3.6
113.05925	4.7
115.07569	22.6
115.45866	3.1
117.07004	19.7
119.08559	31.7
121.06483	7.6
121.10099	22.5
123.08025	4.9
123.11678	4.2
125.09599	5.1
127.03871	4.6
128.06192	4.1
129.05475	3.8
129.06973	15.0
129.33499	2.7
131.08528	25.2
131.57368	3.4
133.06470	5.0
133.10103	19.5
135.08044	14.9
135.11679	20.5
141.06952	4.3
143.08539	7.1
145.06456	4.3
145.10110	21.3
147.08002	4.4
147.11656	14.9
149.09564	5.7
149.13252	16.1
151.11125	3.1
157.10129	8.3
159.11647	14.2
161.09599	9.5
161.13194	6.8
163.11159	3.4
169.10037	5.5
171.11584	7.7
173.04488	5.7
173.13231	8.0
175.11159	6.7
175.14726	4.0
177.12718	7.1
183.11650	4.0
185.13153	7.6
194.54596	3.1
195.13728	4.5
198.75217	3.1
199.14848	4.2
217.15833	12.8
233.15303	4.0
253.14270	4.4
255.17496	4.4
261.22119	10.6
269.17346	15.9
273.18423	33.3
291.19507	18.0
291.22330	3.7
307.18875	3.6
325.75351	3.9
335.21866	6.2
335.25735	79.3
335.29727	5.1
336.26044	3.9
342.17621	3.3
347.22064	9.2
365.23291	7.2
431.61710	3.3
515.37622	5.4
527.37323	6.5
529.38745	27.7
530.38489	3.2
545.38690	5.1
607.42981	6.6
625.44379	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	7.1
61.83146	3.0
62.14898	3.6
65.03905	5.8
67.05156	5.1
67.05499	99.2
69.03423	25.1
69.07058	65.3
71.04990	20.1
71.60606	4.7
73.02892	5.7
73.65393	2.9
79.05483	92.6
81.03399	25.6
81.07046	89.1
83.04965	12.3
83.08595	13.3
85.02888	9.5
88.16648	3.4
91.05474	63.2
93.07034	82.9
95.04967	22.1
95.08599	75.1
97.02866	9.5
97.06517	89.4
97.10143	7.0
99.04456	4.9
99.08053	5.4
105.07019	37.6
107.04929	9.5
107.07928	4.1
107.08592	42.1
109.02860	6.3
109.06512	19.7
109.10130	20.7
111.08067	8.2
112.10932	3.0
113.05968	5.4
115.07573	27.1
117.07030	21.6
119.08571	31.7
121.06493	9.2
121.10139	35.1
123.08084	7.7
123.11666	6.8
125.09615	4.0
127.03905	6.0
127.37352	3.2
127.38339	2.8
128.06171	4.6
129.06984	9.7
131.04898	2.8
131.08557	32.8
133.06500	5.2
133.10097	30.4
135.08040	12.8
135.11685	21.9
141.07031	3.1
143.08530	9.9
145.10126	20.8
147.08022	8.9
147.11676	10.7
149.09589	7.1
149.13206	11.2
151.11163	6.1
157.10130	11.8
159.08104	3.8
159.11646	15.3
161.09586	9.4
161.13190	7.9
169.10062	2.9
171.11652	7.2
173.04396	9.5
173.13235	5.3
175.11140	7.0
177.09254	3.5
177.12761	6.3
183.11699	6.4
185.13274	4.9
187.11301	2.9
189.12723	3.5
191.38501	3.7
195.13788	6.8
199.14862	4.8
201.07538	4.3
215.14204	2.9
216.92108	3.4
217.15897	8.3
233.15279	5.0
245.19136	3.5
253.14394	8.9
261.22110	11.3
267.15866	4.4
269.17480	12.1
273.18472	30.8
275.20081	3.6
284.08597	3.1
291.19519	18.6
297.16833	3.7
333.24286	3.8
335.25754	100.0
336.26120	5.8
347.22180	13.7
349.23706	3.0
365.23141	12.1
383.24030	3.7
515.37225	4.5
529.38782	35.6
557.38757	4.1
567.40625	3.9
607.43237	6.1
625.44531	15.7
643.45050	6.0
692.58582	3.3
837.82092	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.9
65.03930	5.3
67.05496	85.0
69.03413	9.2
69.07053	34.0
69.64761	5.4
69.65170	13.8
71.04983	5.8
73.06532	2.2
77.03902	2.5
79.05484	91.9
81.03410	5.6
81.07047	78.0
83.04964	9.2
83.08611	33.3
85.02892	3.7
85.06519	5.9
91.05469	90.5
91.06039	4.6
93.07026	70.5
95.04960	12.4
95.08596	47.1
97.02881	3.0
97.06519	8.8
97.10159	44.1
98.20682	3.3
99.08066	4.3
103.05476	2.8
105.04485	2.3
105.07016	80.9
107.04946	6.9
107.08578	79.6
109.02831	3.2
109.06459	4.6
109.10139	28.1
111.08059	6.4
115.05404	4.2
117.06995	31.8
119.06104	2.2
119.08564	57.1
121.10117	31.0
123.08046	3.9
123.11694	13.7
125.09624	37.3
126.42599	2.7
127.03883	3.0
128.06209	6.2
129.06993	21.7
130.07751	3.6
131.08554	39.6
133.10112	50.0
135.08034	8.3
135.11668	15.6
139.81682	2.0
141.06972	7.3
142.07735	4.9
143.08566	22.9
145.10120	39.7
147.08025	2.3
147.11665	30.9
147.12732	3.0
149.09613	6.8
149.13231	9.4
151.11145	4.2
153.09077	4.1
153.58125	2.3
155.08521	14.0
156.09264	4.4
157.10088	25.3
159.11678	33.0
161.09613	3.7
161.13228	17.5
163.11098	4.0
163.14781	2.6
165.07037	4.0
167.08540	6.5
169.10132	17.7
170.10851	3.4
171.11647	26.6
173.11806	3.7
173.13185	15.9
175.11153	3.6
175.14821	9.2
177.12735	2.9
179.08575	3.9
181.10097	5.7
183.11668	16.5
185.13239	20.8
187.13225	6.4
187.14819	7.4
189.11275	15.2
189.16457	2.7
195.11687	9.6
197.13292	12.0
199.14816	9.6
201.16396	5.9
207.11702	3.7
209.13206	6.8
211.14819	9.2
213.12657	2.2
213.16330	6.6
215.17899	2.6
219.65199	2.1
223.14819	4.0
225.16422	6.3
227.12793	25.9
227.17998	2.8
227.23453	2.2
231.17519	2.1
231.21024	6.0
237.16286	2.9
239.17995	7.0
241.19548	12.3
243.15872	6.4
251.18100	2.1
253.19678	4.1
253.40971	2.2
257.19000	11.5
259.20569	28.8
273.18582	2.3
275.20004	25.8
315.23178	7.7
331.22781	2.7
333.24231	28.9
347.27386	2.8
349.23743	22.2
363.26764	2.6
365.28320	15.7
381.31589	5.2
383.29532	4.2
421.30930	5.1
439.32141	8.2
443.58725	2.1
451.32025	4.6
486.30405	2.5
503.33389	7.3
513.35986	13.3
515.38989	5.2
517.35333	3.0
533.39716	8.3
555.36823	2.9
589.42078	4.2
607.43542	70.7
608.43384	5.2
625.44537	100.0
626.44617	8.6
840.55554	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	5.4
65.03918	6.4
67.05159	5.5
67.05498	92.3
68.05854	2.7
69.03416	8.8
69.07064	40.6
71.04978	7.3
79.05486	90.7
81.03412	11.4
81.07049	88.5
83.04962	9.9
83.08612	20.1
85.02914	4.3
85.06525	6.2
87.59866	2.5
91.03959	2.7
91.05473	97.6
93.07034	100.0
95.04967	14.0
95.08597	61.3
97.02889	7.1
97.06505	9.1
97.10177	17.1
99.08081	3.7
103.05412	2.7
105.04489	2.7
105.07021	87.3
107.04944	6.9
107.08587	59.9
109.06507	6.6
109.10153	26.4
111.08051	8.5
113.09615	2.5
115.05419	6.1
115.35311	2.7
117.07011	36.5
119.04987	2.9
119.08580	61.8
121.06490	5.8
121.10140	30.4
123.08080	6.1
123.11671	8.8
125.09615	8.0
127.03899	3.2
128.06215	5.6
129.06981	22.1
131.08557	47.0
133.06519	3.2
133.10121	50.1
135.08037	8.5
135.11688	23.8
137.09593	4.6
137.46729	2.5
141.06969	10.8
142.07753	3.8
143.08569	28.1
144.09291	3.5
145.10101	40.9
147.08017	3.7
147.11678	38.7
149.09583	9.9
149.13243	17.8
151.11211	4.2
155.08516	12.2
156.09232	2.8
157.10117	23.7
158.58150	3.6
159.08038	4.4
159.11682	27.0
161.13234	20.5
163.11153	10.0
167.08505	4.7
167.14159	2.5
169.10129	17.4
171.11691	21.9
173.09607	2.9
173.13225	16.3
175.14821	8.6
177.12781	4.3
179.08554	3.7
179.14340	4.0
181.10112	7.1
183.11737	15.3
185.13229	13.0
187.13300	3.1
187.14850	6.4
189.11238	3.4
189.16350	3.2
195.11636	9.0
195.13751	4.5
197.13145	12.2
199.14801	7.0
209.13211	8.4
211.14795	7.0
213.16541	6.0
223.14767	5.9
227.12724	8.1
231.20999	3.6
235.17006	3.2
237.16499	3.4
239.17918	4.0
241.19519	16.1
255.15768	3.9
257.19012	7.2
259.20554	40.7
261.22281	3.4
269.17468	7.6
273.18512	4.7
275.20105	17.0
300.03961	2.7
315.23245	6.4
331.22662	2.7
333.24283	37.6
335.25717	3.3
349.23645	12.3
365.28378	3.6
421.31009	3.6
435.32227	3.4
483.77670	2.9
513.35730	25.5
515.38562	4.3
527.37286	40.2
528.37482	2.7
533.39563	3.7
545.38464	3.3
567.40692	3.3
607.43536	33.1
625.44653	43.1
646.26038	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	6.7
67.05138	5.7
67.05495	97.5
69.03410	10.1
69.07058	35.2
71.04985	9.8
79.05484	87.6
79.58471	2.5
81.03400	14.3
81.07043	95.6
83.04974	10.8
83.08598	17.8
85.02887	10.8
85.06509	4.5
88.51456	3.2
91.05466	99.4
93.07034	100.0
95.04966	17.5
95.08595	60.9
95.55288	2.5
97.02910	5.5
97.06514	11.0
97.10154	10.4
98.20655	5.1
99.08081	4.2
103.54985	2.8
105.07011	98.8
107.04928	8.4
107.08582	65.6
107.96069	2.5
109.06506	10.5
109.10144	22.4
111.08076	6.6
117.07007	41.6
119.08564	62.6
121.06502	3.2
121.10129	31.9
123.08028	5.7
123.11690	11.7
125.09592	7.8
128.06226	9.9
129.06995	23.9
131.08546	49.5
133.10121	49.1
135.08005	8.8
135.11682	33.6
137.09602	5.2
141.06931	6.8
142.07774	3.7
143.08533	24.0
145.10110	38.6
147.11668	42.8
149.09592	9.7
149.13248	11.8
151.11127	6.1
155.08542	11.9
156.67244	2.8
157.10112	23.9
158.10699	2.8
159.11687	35.6
161.13240	26.3
163.11168	7.8
165.06908	3.4
165.12830	3.3
167.08543	6.5
169.10114	13.8
171.11681	23.2
173.09512	4.5
173.11949	4.1
173.13228	20.2
175.11171	4.0
175.14859	9.1
177.12798	5.2
181.10088	8.6
182.10928	3.0
183.07903	3.9
183.11687	17.8
184.07249	3.1
185.13229	14.9
187.14824	5.0
188.50896	3.2
189.11256	4.4
189.12851	4.2
193.64005	3.1
195.11760	7.2
195.13736	5.4
197.13257	12.9
199.14821	10.4
209.13336	3.4
211.14767	10.0
213.16389	4.4
221.13290	3.0
223.14859	3.5
227.12642	5.5
227.17839	3.8
231.21013	4.9
235.14792	3.2
239.17941	6.8
241.19527	14.8
255.15916	8.8
257.19086	7.7
259.20554	41.0
269.17511	12.5
273.18616	4.6
275.20090	24.9
301.10236	3.6
308.44144	2.9
309.22391	3.1
315.23123	6.6
323.23761	3.5
333.24277	41.9
344.25702	4.2
349.23743	18.4
421.30655	3.3
435.32538	5.0
513.35687	19.1
515.38800	8.9
527.37549	26.0
531.36920	6.1
545.38647	5.9
567.40112	4.5
606.28296	4.3
607.43683	32.1
625.44446	29.3
769.49731	4.1
840.55829	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	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	10.4
67.05502	98.2
69.03425	5.3
69.07063	17.0
71.04975	4.5
71.72007	4.2
79.05482	64.1
81.03436	5.8
81.07047	64.0
83.08586	8.6
85.06541	18.3
91.05468	74.8
93.06511	6.0
93.07040	65.0
95.04961	76.5
95.05524	7.1
95.08595	38.4
96.08857	4.5
97.02860	4.6
97.06504	12.4
97.10178	5.3
98.21497	8.2
99.08077	4.1
105.07028	67.2
107.04941	27.1
107.08587	45.9
109.06510	87.6
109.10140	17.2
113.05992	45.5
115.17641	4.8
117.07011	27.8
119.08574	47.2
121.06507	9.6
121.10147	12.9
123.07934	5.5
124.86420	3.9
125.09562	5.3
128.06209	7.0
129.06978	20.5
131.08554	32.8
133.10095	28.9
135.08038	64.5
135.11691	14.4
137.09653	4.2
141.06952	5.8
143.08556	18.7
145.06491	6.0
145.10120	23.5
147.08046	9.5
147.11728	21.9
149.09637	12.2
149.13213	9.0
157.10098	13.1
159.08078	5.4
159.11691	18.6
161.09625	12.3
161.13249	11.8
169.10129	8.5
171.11647	12.9
173.13293	13.6
175.14774	7.6
177.12695	5.3
183.11649	7.8
185.13290	9.5
187.11230	5.6
189.05972	4.0
199.14822	8.9
212.14449	6.5
217.15874	18.2
241.19585	13.5
246.68629	4.1
248.49362	5.3
257.18887	5.5
259.20523	19.2
273.18491	32.6
275.20010	5.0
291.19525	85.5
315.23260	9.2
333.24191	52.3
342.24298	11.5
347.22086	8.8
365.23273	24.3
367.17551	5.2
511.37888	4.6
605.41675	22.8
623.43018	100.0
624.43390	6.8
624.74774	4.7
641.43878	5.9
838.53467	11.7
853.92291	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	3.4
61.13017	2.1
65.03923	8.2
67.05490	91.1
69.03411	9.0
69.07059	33.7
69.44050	22.6
71.04974	9.1
79.05020	5.4
79.05476	88.7
81.03411	11.7
81.07040	99.2
83.04964	10.1
83.08602	19.4
85.02890	6.3
85.06523	4.3
91.05463	91.3
91.06047	4.9
93.06429	5.2
93.07021	100.0
95.04955	15.7
95.08588	62.6
97.02896	4.5
97.06520	11.6
97.10146	7.3
99.08062	4.9
101.78147	2.5
103.05447	3.0
105.04498	3.6
105.06333	5.1
105.07013	86.2
107.04934	6.9
107.07911	4.4
107.08577	53.3
109.06476	6.1
109.10123	21.6
111.08043	5.6
115.05442	3.4
117.06998	33.1
119.08553	61.4
119.09394	3.2
121.06490	4.1
121.10126	30.4
123.08015	5.0
123.11678	7.0
125.09658	3.1
128.06155	5.1
129.07031	17.6
131.08540	41.6
133.10100	44.4
134.10368	4.6
135.08035	3.9
135.11652	27.9
139.11188	2.8
141.06966	7.6
142.07759	3.3
143.08517	19.5
145.10088	33.4
147.08075	4.1
147.11661	33.3
149.09537	7.2
149.13237	13.7
151.11151	7.1
155.08521	9.8
156.09114	2.6
157.10089	19.7
159.11703	26.2
161.13266	19.0
163.11194	3.6
165.12688	2.6
167.08449	2.9
169.10114	10.2
171.11702	18.4
173.04474	3.0
173.13255	13.8
175.14781	7.9
177.12668	6.0
181.10063	3.9
183.11696	10.3
185.13237	8.5
187.14798	6.7
189.12659	2.6
195.11710	4.3
195.13725	3.8
197.13261	7.4
199.14771	6.6
201.16351	2.7
209.13222	7.3
211.14836	7.3
213.16432	3.1
223.14836	3.5
235.14737	3.3
239.17888	2.9
241.19495	17.8
255.15802	12.7
259.20566	40.2
260.21002	2.9
263.20026	3.7
269.17432	20.0
273.18741	3.2
275.20010	16.9
277.21542	3.3
315.23087	5.4
333.24228	42.8
335.25665	8.0
349.23737	6.1
367.24768	3.3
427.23123	2.7
435.32523	7.7
453.33682	7.4
513.35535	15.1
527.29663	4.5
527.37170	53.7
528.37549	7.2
545.38391	6.8
607.43597	17.2
625.44366	13.4
841.47156	5.9
862.61560	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	838.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72204	2.2
65.03924	3.7
67.05145	5.0
67.05495	86.4
69.03410	6.7
69.07059	20.5
69.43858	20.1
71.04974	7.4
73.73088	2.2
79.05032	4.0
79.05481	67.5
81.03416	11.8
81.06557	3.2
81.07043	94.8
83.04967	11.8
83.08612	11.9
85.06528	7.0
87.04474	5.9
91.05467	100.0
92.71450	2.5
93.07037	65.6
95.04957	15.3
95.08020	3.4
95.08591	45.8
97.02888	4.1
97.06498	10.3
97.10130	5.3
99.08099	2.6
103.05450	2.7
105.07018	92.1
105.07728	4.4
107.04939	10.2
107.08575	54.8
109.06514	11.9
109.10144	50.0
111.04390	2.3
111.08036	7.0
115.05428	6.3
117.07018	29.9
119.08556	53.6
121.06446	5.5
121.10144	23.3
123.08038	8.8
123.11700	8.3
125.09617	5.5
128.06139	2.3
129.06963	14.4
131.08543	34.9
133.06476	3.6
133.10110	77.9
135.08012	10.0
135.10739	3.3
135.11661	17.4
136.06160	18.7
137.09608	4.5
141.07027	4.1
142.07793	4.9
143.02182	2.9
143.08543	17.1
145.06497	2.5
145.10101	27.0
147.08014	9.2
147.11665	33.1
149.09567	8.1
149.13200	6.8
151.11139	21.9
153.69740	2.3
155.08508	6.3
157.10081	12.3
159.08061	5.9
159.11650	23.1
161.09602	7.0
161.13281	20.3
163.11136	6.1
163.14764	3.3
165.81818	2.7
169.10149	4.3
171.11659	10.9
173.09689	3.6
173.13269	12.4
175.11195	4.3
175.14784	8.0
177.05525	2.3
177.12694	2.7
181.10182	2.4
183.11655	5.7
185.13234	10.8
187.14845	5.0
189.12762	3.3
189.16437	2.6
195.11691	4.8
197.13326	3.8
199.14780	7.6
202.48380	2.7
211.14827	4.7
215.12711	3.5
227.12697	3.0
231.21146	3.0
241.19475	18.1
253.14314	42.7
257.19012	5.7
259.20532	40.0
261.22003	3.8
263.20129	4.2
271.15170	3.4
273.18530	15.9
275.20132	5.9
276.95941	2.8
283.15259	6.0
291.19458	17.7
307.19086	3.5
315.23022	7.0
333.24216	34.7
335.25790	17.5
347.22128	3.0
365.23123	32.6
381.22668	7.1
412.00824	2.9
437.30389	3.6
455.31723	3.2
501.35248	3.1
511.33896	11.3
526.95148	2.5
529.35260	13.5
543.36420	11.6
549.39014	6.0
595.44470	3.3
605.41803	9.9
623.43030	48.9
641.44446	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	838.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.9
64.20471	1.5
64.83311	1.1
65.03918	5.2
67.05497	86.2
69.03408	5.9
69.07062	24.7
71.04975	7.1
71.08655	1.5
71.30175	1.4
76.85985	1.4
79.05482	70.7
81.03410	9.1
81.07044	86.5
83.04961	11.1
83.08607	11.1
85.02910	2.5
85.06517	8.3
91.05468	100.0
93.07035	75.7
95.04950	16.9
95.08596	46.1
95.09202	2.9
97.06499	8.9
97.10137	4.6
99.04449	3.1
99.08092	2.1
103.05447	4.1
105.04543	2.3
105.07013	98.3
107.04935	7.6
107.08578	57.3
109.06490	10.4
109.10138	54.0
111.04437	2.1
111.08070	4.6
115.05444	2.8
116.06227	1.9
117.07008	28.1
119.08562	58.8
121.06520	8.3
121.10133	25.2
123.08060	5.8
123.11709	11.4
127.07553	2.9
128.06198	4.1
129.06989	13.1
130.07780	2.9
131.08546	30.2
133.06493	6.2
133.10112	89.2
135.08064	8.4
135.11664	16.1
137.09596	4.2
141.07001	3.8
142.07809	2.6
143.08572	14.0
145.06468	2.6
145.10107	27.8
147.08023	4.2
147.11664	33.2
149.09583	8.8
149.13245	6.6
151.11169	31.3
155.08586	4.7
157.10103	14.2
159.08040	3.6
159.11668	18.7
161.09602	7.6
161.13231	18.8
163.11211	5.3
163.14775	1.7
165.12827	1.8
169.10114	6.8
169.12242	5.1
171.11674	14.8
173.09576	2.6
173.13200	13.2
175.11096	2.2
175.14786	8.8
177.12746	2.0
179.10602	2.4
181.10103	3.2
183.11697	4.8
185.13264	11.1
187.11172	2.8
187.14859	3.5
189.12740	2.4
195.11710	4.4
195.13658	2.0
197.13216	3.3
199.11273	2.3
199.14862	6.2
209.13243	1.6
211.14769	2.1
213.16360	2.6
215.12688	2.8
217.16139	1.7
223.14795	3.5
225.16454	1.9
227.18140	1.8
231.21098	5.5
239.17828	3.3
241.19482	20.5
245.18985	4.7
253.14313	74.8
255.17462	2.8
257.18954	3.1
259.20554	52.7
263.20074	3.8
271.15314	5.2
273.18454	13.0
275.20004	2.7
287.20102	2.8
289.17999	3.3
291.19470	20.2
297.22205	2.0
313.21631	2.9
315.23206	11.3
333.24210	49.5
335.25708	2.0
347.22040	3.0
353.28262	4.5
365.23193	24.3
409.31009	3.1
419.29340	2.5
437.30365	4.8
455.31458	5.2
483.34109	1.8
501.35510	3.1
511.34094	13.3
529.35168	22.5
530.35388	1.9
531.38257	4.5
549.39288	4.8
605.42255	7.2
623.43005	39.0
624.43518	2.4
641.43884	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	838.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04971	1.3
59.51149	1.0
65.03923	3.8
67.05490	62.9
69.03417	9.5
69.07054	32.4
71.04985	3.6
73.02862	1.0
77.03893	1.4
79.05480	58.9
81.03398	7.3
81.07040	53.5
83.04961	7.2
83.08602	15.9
83.23118	0.9
85.02887	1.7
85.06534	2.6
87.04465	1.8
87.24748	1.0
91.05463	60.8
93.07024	57.2
95.04948	14.3
95.08002	2.0
95.08589	30.8
96.08936	0.9
97.02866	12.0
97.06502	6.3
97.10153	20.8
99.08064	2.2
103.03939	1.0
103.05472	2.0
105.07010	60.8
107.04929	8.8
107.08571	32.8
108.05717	1.2
109.06495	5.7
109.10132	17.0
111.08063	2.7
112.55280	0.9
113.09667	1.3
115.05441	3.7
116.06212	1.5
116.80972	1.2
117.06995	23.9
119.04933	2.2
119.08556	48.5
121.06454	5.3
121.10120	21.5
123.04393	1.2
123.08064	4.9
123.11692	3.4
125.09599	16.7
128.06216	3.6
129.05475	1.7
129.06984	16.3
130.07762	3.5
131.08539	25.9
133.06429	4.1
133.10110	33.3
135.08034	7.2
135.11665	13.5
136.06169	14.0
137.09599	4.6
141.06958	3.8
142.07762	3.5
143.08536	14.0
143.10696	1.3
144.09335	1.4
145.06496	2.8
145.10094	22.0
147.08012	5.7
147.10570	2.1
147.11665	26.7
148.11969	1.2
149.09589	4.9
149.13216	7.0
151.11134	1.9
153.06918	1.4
153.09064	1.7
153.12666	1.2
154.07788	1.1
155.08525	6.7
156.09358	2.0
157.10118	11.4
159.08020	1.7
159.11662	16.1
161.09604	4.0
161.13235	21.2
162.10388	1.3
163.11168	3.8
163.14786	2.7
165.09201	1.3
165.19659	1.1
167.08568	2.7
169.10077	5.8
171.10175	2.2
171.11624	12.9
172.12163	1.1
173.09552	1.2
173.11803	1.5
173.13179	10.0
175.11104	3.0
175.14763	9.6
177.12688	3.1
181.10118	3.5
183.11662	6.2
185.13243	7.2
187.14865	3.7
189.11191	7.7
189.12708	1.6
189.16362	1.0
191.14384	1.5
193.10182	1.1
193.12152	2.1
195.11676	3.4
195.13556	1.0
197.13231	4.6
199.14716	5.0
201.16359	1.5
205.12328	1.9
207.11708	1.2
209.13258	2.3
211.14903	3.1
213.16403	2.2
223.13196	22.3
227.12724	10.2
227.17888	2.1
231.21078	5.3
235.14900	1.2
237.16371	1.3
239.17940	2.8
241.19466	20.9
245.18959	1.5
249.14787	4.4
251.17825	1.3
253.19501	1.3
255.17407	1.2
257.19031	3.2
259.20520	42.3
260.20929	1.1
267.15771	1.6
271.20532	1.4
273.18430	9.7
275.20050	5.0
277.21729	2.5
289.17850	1.4
291.19485	100.0
292.19830	3.9
295.20392	1.0
297.22119	1.8
299.23672	1.3
313.21515	1.2
315.23169	8.5
325.21445	1.3
333.24179	52.8
334.24503	1.5
335.26147	1.9
347.22189	1.1
349.23865	2.2
365.23190	37.0
366.23395	1.6
379.29813	5.3
433.30774	2.0
451.32309	1.5
469.32651	1.1
511.33868	1.6
525.35754	9.8
529.35071	2.5
531.38293	2.5
541.34601	1.3
543.36731	11.5
549.39288	2.3
605.42053	7.4
623.42957	51.8
624.43066	4.0
641.44379	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	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.1
65.03917	4.7
67.05495	67.5
69.03417	10.6
69.06693	3.0
69.07058	48.6
71.04972	5.0
71.08584	1.4
79.05027	3.4
79.05482	64.4
81.03406	9.6
81.07044	59.6
82.31352	1.6
83.04964	9.2
83.08601	16.8
85.02875	3.6
85.06538	4.5
87.04460	6.2
88.95492	1.6
91.05466	73.8
93.07030	66.0
93.91534	1.5
95.01321	2.3
95.04955	13.1
95.08594	33.9
97.02886	8.4
97.06511	11.4
97.10159	20.2
98.20762	4.3
99.04459	2.3
103.05440	2.8
105.07008	72.8
107.04939	12.7
107.08575	44.3
109.02872	1.7
109.06509	8.4
109.10146	21.6
111.08057	3.5
115.05454	3.2
117.06991	22.1
119.04839	2.0
119.08562	52.5
119.09422	2.5
120.27572	1.6
121.06490	6.4
121.10124	21.3
123.08032	7.2
123.11676	3.3
125.09598	14.6
128.06194	3.3
129.06979	14.0
130.07727	1.6
131.04918	2.1
131.08543	29.6
133.06445	4.7
133.10107	39.5
133.10994	1.4
135.08051	5.6
135.11679	16.6
136.06174	10.2
137.09557	5.4
141.06952	4.2
142.07811	3.3
143.08527	13.4
144.09329	1.7
145.10100	24.4
147.08023	7.2
147.11667	24.5
149.09567	5.8
149.13229	7.9
153.09087	2.0
153.12660	1.7
155.08527	4.4
157.10103	10.7
159.08090	1.9
159.11679	23.1
161.09581	3.6
161.13208	18.3
163.11214	4.1
169.10095	7.1
171.11632	13.6
173.13214	12.2
175.11108	2.3
175.14822	8.7
176.79800	1.6
177.12735	4.5
179.14334	2.3
181.10095	2.5
183.11711	5.6
185.13266	10.2
187.11096	2.0
187.14801	4.3
189.11169	8.0
195.11737	3.5
196.39348	1.6
197.13274	4.2
199.14777	5.4
201.16336	2.3
203.14319	2.9
205.12230	2.7
211.14822	2.3
213.16437	3.5
219.17456	8.0
223.13173	12.9
223.14992	1.7
227.12747	14.6
231.21010	4.7
233.15250	1.8
239.17845	3.4
241.19455	18.4
249.14821	4.1
255.15752	2.1
255.21262	1.6
257.18954	5.7
259.20526	39.2
269.17368	4.9
273.18427	12.3
275.20053	21.1
283.20428	2.0
291.19495	100.0
292.19870	3.7
299.23544	4.3
309.22433	1.9
315.23108	7.3
323.23587	1.8
333.24228	48.1
349.23743	12.8
365.23160	35.3
379.29837	3.9
420.13394	2.0
469.32767	1.8
503.33221	1.9
525.35602	14.0
529.35132	6.5
531.38257	3.1
543.36871	27.1
605.41638	5.7
623.42920	50.6
624.43561	4.0
641.43860	6.1
661.16602	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	835.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	1.4
61.02905	1.8
65.03932	3.2
67.05153	2.9
67.05497	45.9
69.03419	7.5
69.07064	16.1
71.04999	3.1
71.58278	1.8
79.05038	2.1
79.05483	30.4
81.03411	14.4
81.07049	26.4
83.04967	6.3
83.08596	10.3
85.02895	4.5
85.06524	8.8
86.46723	1.5
91.05473	30.8
93.07035	25.2
95.04957	45.4
95.08604	17.0
97.02881	6.0
97.06525	6.1
97.10160	8.3
99.04452	2.1
105.07009	19.3
107.04945	12.3
107.08577	18.4
109.02863	2.3
109.06507	41.8
109.10128	6.0
111.04415	1.7
111.08050	4.1
113.06000	24.0
115.05473	2.3
117.07015	11.4
119.08559	17.5
121.06479	6.5
121.10134	8.7
123.04451	2.2
123.08033	4.8
123.11599	2.0
125.09616	6.6
127.03890	2.6
128.06213	2.8
129.06967	11.1
131.08566	19.5
133.06520	2.9
133.10098	11.6
135.08040	31.4
135.11659	6.8
137.05937	1.8
137.09637	2.3
141.07053	2.0
142.07706	2.2
143.08528	8.8
145.06433	2.9
145.10130	13.5
147.08003	6.7
147.11661	7.5
149.09583	6.8
149.13208	1.9
151.24313	1.6
153.06978	1.8
155.08533	2.7
157.10121	6.7
159.08029	4.5
159.11671	6.3
161.09589	6.8
163.07603	1.7
163.11183	5.4
165.09071	1.7
169.10135	2.2
171.11690	4.0
173.09554	1.5
173.13237	2.7
175.11140	4.3
177.01799	1.8
177.12778	3.1
181.10126	1.9
185.13353	2.1
187.11183	2.0
189.11229	2.3
193.12204	3.2
195.11739	2.2
195.13744	1.7
199.11064	2.6
199.14809	3.3
201.12892	1.7
211.13263	4.0
217.15915	10.0
223.13217	4.3
227.12750	6.7
243.15704	1.7
245.18976	2.4
249.14940	2.8
255.17470	3.3
267.15805	6.9
273.18478	33.6
275.20239	2.6
279.15771	2.9
291.19519	100.0
292.19745	2.8
301.18063	1.5
315.19794	1.5
347.22159	9.7
365.23224	27.2
389.23511	1.7
459.95407	1.7
539.33441	2.9
541.62396	1.5
557.34473	9.9
619.39856	2.1
637.41071	15.4
641.13892	1.7
655.42017	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	835.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.7
67.05493	59.8
69.03407	4.2
69.07053	6.6
70.06566	2.0
70.27787	1.0
70.70131	3.2
71.05000	2.6
72.08167	1.2
75.50624	1.1
79.05481	32.8
81.03406	6.9
81.07043	28.1
83.04972	3.6
83.08604	5.0
85.02880	2.0
85.06525	12.5
86.09664	1.3
88.19677	1.0
91.05463	29.6
93.07028	27.6
95.04954	72.9
95.08595	16.9
97.02853	2.0
97.06516	7.4
97.10173	2.4
102.11903	1.1
103.05439	1.3
105.04516	1.4
105.07011	22.5
107.04939	12.3
107.08571	17.7
109.02877	1.4
109.06503	57.0
109.10144	3.9
111.08063	3.8
113.05991	30.9
115.05416	3.6
116.06216	2.2
117.06998	14.3
119.04905	1.2
119.08556	14.6
121.06489	7.2
121.10143	6.1
123.08044	3.7
125.09592	2.0
127.07601	1.1
128.06201	3.2
129.06976	7.7
131.08543	19.6
133.06477	6.4
133.10107	11.5
135.08035	42.2
135.09079	2.1
135.11646	8.7
137.09593	2.2
140.05432	1.2
141.06937	1.6
143.08534	9.2
144.09090	1.3
145.06422	3.3
145.10097	16.7
147.08051	7.7
147.11644	3.9
149.09581	5.6
149.13234	3.2
151.07600	1.2
155.08522	2.3
157.10115	7.8
159.08054	2.8
159.11642	9.0
161.09599	8.0
161.13200	1.6
163.11157	5.0
165.12755	1.5
166.05026	1.3
169.10072	2.1
171.11688	3.8
173.04373	1.5
173.09622	2.6
173.13254	2.8
175.11192	3.1
177.12759	4.0
183.11626	1.4
185.09492	2.0
185.13232	2.6
187.11140	3.6
189.12856	1.5
189.16348	1.2
195.11723	2.0
195.13768	2.1
197.13263	1.8
199.11115	1.9
199.14781	3.7
201.12686	1.6
217.15834	13.0
227.17949	2.7
245.19077	2.9
255.17407	3.9
267.15878	1.5
273.18442	43.4
275.20087	2.4
289.17953	2.3
291.19498	100.0
292.19830	3.4
307.19125	1.2
329.20898	2.0
347.22122	14.1
349.23706	1.6
351.31848	1.3
365.23224	20.5
479.35321	1.3
496.92712	1.1
619.39734	4.8
637.41010	13.9
655.41858	16.5
656.42206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.7
65.03925	0.8
69.03419	6.1
69.43390	2.4
70.06577	0.3
71.01349	0.3
75.04424	0.3
80.62971	0.3
84.08153	0.2
85.02894	4.4
87.04457	2.9
88.84293	0.3
91.03959	0.7
91.05503	0.5
94.10642	0.3
95.04955	0.3
97.02876	3.7
97.03407	0.4
99.04430	0.3
110.44287	0.3
111.04435	0.8
115.03912	3.1
119.04932	0.6
120.78703	0.3
121.02851	29.8
123.04403	1.4
127.03870	0.7
131.04961	0.3
133.02795	0.3
133.04938	2.1
145.02878	0.4
145.05017	0.3
147.04395	3.1
161.05876	0.4
163.03914	0.6
175.03926	0.3
177.05435	0.4
179.07036	0.4
189.05469	0.9
191.03394	0.7
201.05443	0.4
204.17755	0.3
211.03743	0.4
213.05524	0.5
215.03432	0.8
217.04865	0.5
224.04866	0.3
225.05293	0.3
229.04947	1.3
230.05746	0.6
231.06523	0.3
237.05373	0.4
241.04926	0.5
243.02948	0.7
255.02885	0.5
255.06493	0.3
257.04480	3.5
258.05075	0.6
269.04483	0.6
271.02438	1.0
273.04303	0.3
277.08765	0.4
281.04477	0.6
283.05991	0.3
285.03967	1.1
286.04645	1.6
287.05414	6.0
289.08649	0.5
297.04059	0.5
299.05411	0.3
309.04037	0.3
311.05606	0.4
313.03500	0.6
315.06473	0.4
317.08014	0.4
323.05460	0.6
325.03555	0.4
333.07501	0.9
335.09048	0.8
343.05881	0.3
345.07449	1.2
348.06134	0.4
349.07080	0.7
351.08710	0.5
361.06989	2.8
363.08615	0.8
371.05331	0.3
373.07007	0.6
377.06482	0.8
385.07187	0.3
386.79260	0.3
387.08588	0.5
389.06406	2.9
390.07266	1.6
391.08035	5.4
391.12903	0.5
393.06143	0.9
394.06641	0.7
395.11093	1.3
397.07065	0.3
403.08041	1.1
405.05865	7.8
406.06363	0.3
407.07596	4.6
408.08145	0.5
413.06543	1.2
415.07983	1.0
417.06027	2.5
419.07782	0.6
421.09222	0.4
431.07813	1.5
433.09152	1.2
435.07202	1.2
437.08649	2.3
441.05966	0.9
443.07468	1.8
449.08771	0.7
451.10193	25.6
452.10599	1.0
459.07031	8.8
460.07541	0.8
461.08356	1.8
463.06516	1.3
477.08127	3.2
479.09683	1.1
481.07535	1.2
485.11316	0.3
487.06537	4.0
495.08972	1.7
505.07599	4.5
523.08582	2.2
541.09705	100.0
542.10065	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	831.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56995	0.2
61.02918	0.6
67.05509	0.6
68.99788	0.6
69.03409	1.2
70.06581	0.3
71.04610	0.4
71.04986	5.0
71.11417	0.2
71.65829	0.2
71.66204	0.3
73.02905	0.3
75.04453	0.2
79.05463	0.6
81.03419	1.3
83.01322	0.5
83.04969	2.2
85.02890	6.9
91.03971	0.3
91.05473	0.5
95.04958	1.8
95.08589	0.3
97.02878	69.2
98.03214	0.8
99.04443	0.4
103.05447	0.4
105.03378	13.4
105.07019	0.5
107.04935	0.8
109.02867	0.5
111.00804	0.7
111.04424	1.5
117.03387	0.2
119.04925	0.3
121.02847	2.5
123.04399	0.7
125.02368	0.4
127.03929	0.7
129.05450	1.6
133.02843	0.7
135.04364	0.4
137.02342	0.9
137.05956	1.2
138.91502	0.2
139.03900	0.5
145.02821	0.8
145.06477	0.3
147.04416	0.9
147.06505	0.3
147.11760	0.2
149.05890	0.3
151.03888	0.6
151.07503	0.3
153.01805	3.2
153.05467	1.0
157.06462	0.3
165.01845	1.6
167.07021	0.6
171.04486	0.3
177.05446	1.4
178.06186	0.3
179.07016	0.4
181.04930	0.4
183.02878	1.0
185.05978	0.5
195.06509	0.6
197.06157	0.2
203.03415	0.3
207.06540	1.1
213.05421	0.9
218.14081	0.2
219.06494	1.1
225.05602	0.3
225.07471	1.1
231.06496	0.6
237.07500	2.2
241.04919	0.8
243.08630	0.8
253.07031	0.5
255.02806	0.3
258.05270	0.8
259.06015	0.5
269.04343	0.3
273.08621	0.2
287.05453	100.0
288.05789	3.0
299.05414	1.0
300.06250	0.4
311.05377	0.3
315.04956	1.5
315.08298	0.4
317.22885	0.2
325.07242	0.3
329.06561	1.6
330.07352	1.4
345.09656	4.8
346.10019	0.5
347.11072	0.8
353.06467	0.9
359.11343	0.6
365.06476	0.3
365.12228	1.9
381.11414	0.5
383.07605	0.3
413.08902	0.3
431.09839	0.3
449.10733	1.7
523.12109	0.5
582.09186	0.2
747.49493	0.3
758.23560	0.3
831.28802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.0
65.03949	1.0
67.05495	7.3
69.03427	4.2
69.07063	3.6
73.02916	4.4
78.65497	0.7
79.05490	5.5
81.03425	3.4
81.07056	6.1
83.05000	1.0
83.08617	2.6
83.48144	0.7
85.02902	7.2
91.03960	3.5
91.05493	2.6
93.07041	4.6
95.04999	1.2
95.08605	6.4
97.02872	5.4
97.10175	3.3
98.94450	0.8
99.04444	0.9
105.07069	1.9
107.08625	3.2
109.02939	0.9
109.10175	2.4
110.25482	0.7
117.07041	1.4
119.08556	1.4
119.68484	0.8
121.10125	1.9
125.09653	2.7
127.03909	2.1
128.56154	0.7
129.07072	0.9
131.08578	0.9
133.10172	1.3
135.11710	1.5
141.16977	0.8
145.10178	1.4
154.62595	0.9
157.39474	0.7
161.13283	1.1
185.04262	1.3
229.79831	1.0
243.08456	3.2
301.09094	0.9
333.20355	9.2
342.01749	0.9
380.55115	0.8
466.51385	0.9
519.29169	7.4
551.28021	4.6
589.74231	0.9
591.31934	0.9
755.11389	0.9
757.83594	0.9
829.50555	100.0
830.50677	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.0
67.05499	7.4
69.03417	5.1
69.07070	2.5
71.62056	1.2
73.02911	4.8
79.05470	4.7
81.03418	1.9
81.07053	7.0
82.35048	0.8
83.44122	0.9
83.95332	0.9
85.02888	6.1
86.15910	0.9
91.03939	4.6
91.05469	5.2
93.07041	5.2
95.04974	1.6
95.08590	5.3
97.02875	4.6
99.04461	1.1
101.02361	2.6
105.07047	1.3
107.08578	2.8
109.10180	1.3
119.08574	1.5
121.10127	2.1
127.03924	1.1
131.08527	1.0
135.11723	1.4
145.10110	1.3
161.13150	1.1
243.08467	3.1
333.20499	2.8
401.62781	1.3
519.29370	8.2
551.28088	2.8
587.53076	1.2
829.50641	100.0
830.50806	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.0
65.15464	0.4
67.05495	5.2
68.70753	0.4
69.03422	3.8
69.07063	2.0
69.77615	0.4
71.01336	0.5
73.02906	4.1
79.05485	5.5
81.03403	1.7
81.07050	3.5
83.04959	0.5
83.08619	0.9
83.86914	0.4
85.02901	5.1
87.04440	0.5
90.08636	0.4
91.03953	2.9
91.05461	4.6
91.89610	0.4
93.07043	7.1
95.04967	1.4
95.08607	3.1
97.02876	4.4
97.06502	0.5
99.04453	1.2
101.02374	2.1
103.03957	0.6
105.07022	4.7
107.04988	0.4
107.08574	3.1
109.02878	1.0
109.10176	1.2
115.03944	0.5
117.07017	1.4
119.08558	3.1
121.10150	2.1
123.11682	0.4
127.03933	1.5
129.05484	0.8
129.06950	0.7
131.08572	1.7
133.10124	2.7
135.11681	1.2
143.08611	0.7
145.10121	1.5
147.11717	1.6
149.13275	0.6
157.10138	0.5
159.11679	0.8
161.13298	0.8
170.00510	0.4
171.11729	0.7
185.04227	1.4
201.03760	0.5
203.05273	0.8
241.07028	0.6
243.08414	4.5
259.20682	0.7
301.08838	2.5
313.08969	0.9
313.27222	0.5
315.10657	1.3
317.20889	1.5
341.12354	0.6
357.15005	0.5
365.85602	0.4
373.11179	0.6
373.23447	0.5
383.16827	0.8
397.18295	0.8
427.81473	0.4
432.09955	0.4
437.21298	0.6
459.35504	0.5
465.21100	2.0
495.22375	0.6
525.23297	1.6
535.28735	16.5
536.29340	0.9
607.30768	1.8
621.33020	0.5
759.42529	0.9
817.77301	0.5
829.50610	100.0
830.50989	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	826.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.9
61.02929	6.1
62.60624	0.8
63.26705	0.8
65.03935	1.5
67.05499	15.8
68.05028	1.5
69.03422	9.4
69.07055	4.0
70.06580	9.1
71.04980	100.0
71.63580	0.8
73.02893	4.4
76.34186	0.8
79.05483	16.1
80.05026	1.2
81.03405	4.4
81.07050	9.6
83.04968	2.0
83.08596	4.3
84.04524	0.9
84.08140	4.6
85.02892	5.4
86.06057	6.3
86.09695	2.0
88.03991	4.4
91.03951	3.4
91.05472	8.6
93.07035	14.1
94.06590	1.1
95.04970	2.5
95.08611	8.9
96.08121	10.5
97.02876	5.4
97.10138	5.5
98.06042	6.3
98.72357	0.8
99.04451	0.9
101.02370	1.2
103.20570	0.8
105.07052	2.7
106.06561	2.1
107.04913	1.1
107.08569	8.3
109.02886	1.0
109.06498	1.3
109.10128	4.4
111.08055	1.9
112.07593	6.1
117.07044	3.0
118.06582	0.8
119.08599	2.9
121.10172	3.5
123.08056	1.1
124.07584	7.5
125.09598	5.2
131.08601	2.0
133.10144	1.4
135.08078	1.2
135.11679	3.6
141.07858	1.4
142.08603	7.4
145.10135	2.3
147.11674	1.5
149.13248	0.9
153.09131	1.5
158.08105	9.5
158.09154	0.8
159.11729	1.3
164.84404	0.8
170.08101	4.1
184.07402	2.3
189.11288	2.4
227.12755	4.7
229.14307	1.0
233.34824	0.9
248.16721	1.1
265.72171	0.9
335.25714	9.5
488.33902	0.9
557.18097	0.9
625.07446	1.0
664.44647	2.4
813.88623	1.0
826.49445	78.2
827.49927	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	826.514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55821	0.7
59.04976	3.1
61.02920	9.1
65.03934	1.0
67.05497	58.2
69.03401	1.7
69.07058	4.7
71.04980	2.0
71.08621	14.8
71.60385	1.0
71.60818	0.7
73.02894	2.9
79.05467	2.2
81.03409	0.8
81.07048	13.4
82.83676	0.8
83.08613	8.3
85.02896	13.0
85.06519	1.3
85.10164	8.6
89.05999	1.0
91.03943	6.8
91.05470	3.7
93.07040	2.2
95.08594	13.9
97.02872	6.1
97.10145	3.2
99.04453	0.9
103.07613	1.6
107.08553	1.1
109.10139	65.9
110.10506	0.9
111.08054	2.6
119.08559	4.1
123.11695	2.1
127.03874	3.3
137.09589	2.9
138.82265	1.0
145.04950	3.7
154.66794	0.8
155.10634	2.9
163.06006	3.3
164.89986	0.9
173.11716	17.0
173.13025	0.7
197.74493	0.8
229.14325	100.0
230.14838	1.3
239.23746	1.0
257.24716	1.4
313.27325	73.4
314.27600	2.2
467.37268	68.5
468.37445	2.3
811.20300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.4
61.02921	10.6
63.49625	0.9
65.03948	1.1
67.05496	70.4
68.05836	1.0
69.03420	2.0
69.07063	7.4
71.04971	2.6
71.08253	1.2
71.08625	20.2
73.02901	3.6
79.05467	1.7
80.45024	0.9
81.03407	1.2
81.07042	19.7
83.08611	11.6
85.02901	14.1
85.06534	3.2
85.10176	12.1
87.04490	0.8
89.06037	0.8
89.76755	0.8
91.03944	7.0
91.05444	4.2
93.07055	4.1
95.08600	18.0
97.02877	7.7
97.10165	3.5
98.21478	1.7
99.08092	0.9
103.03878	1.1
105.07015	0.9
107.08591	2.4
109.10144	68.6
110.10458	1.4
111.08060	2.4
113.49292	0.9
119.08580	5.0
123.11693	2.5
127.03892	2.8
137.09615	2.8
137.13176	1.0
145.04955	3.3
146.82007	0.8
155.10684	3.7
163.06015	3.6
166.40567	0.9
173.11713	18.6
184.07315	0.8
229.14323	80.2
230.14674	3.3
239.23596	2.0
257.24713	2.1
313.27328	83.1
314.27679	5.0
373.18631	1.0
449.60947	0.8
467.37283	100.0
468.37543	7.9
595.32446	1.1
827.49457	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	826.4927
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
57.38109	0.5
59.63963	0.5
61.02915	6.7
67.05495	15.6
68.05024	1.2
69.03416	8.6
69.05806	0.8
69.07059	3.3
70.02947	0.8
70.06580	7.4
71.04982	100.0
71.58244	0.6
71.58662	0.8
72.04496	0.8
72.05341	0.9
73.02905	4.1
79.05479	14.5
80.04980	0.7
80.05813	0.5
81.03400	3.4
81.07043	10.3
81.07497	0.8
82.06570	1.0
83.04984	1.8
83.08614	3.9
83.13027	0.6
84.08133	4.9
85.02892	5.7
85.06516	0.6
86.06056	5.7
86.09695	0.6
87.04454	0.8
88.03981	4.2
88.77930	0.5
91.03950	2.6
91.05464	7.7
93.07030	10.6
94.06557	1.3
95.04956	2.1
95.08589	7.1
96.04446	0.5
96.08122	11.0
97.02863	4.8
97.06514	0.7
97.10158	4.5
98.06047	4.6
100.07608	0.6
101.02387	1.6
102.05541	0.7
105.07025	3.1
106.06533	1.5
107.04959	1.1
107.08579	7.3
109.02887	0.8
109.10129	3.6
111.04454	0.6
111.08035	2.5
112.07587	6.3
114.05520	1.0
114.09177	0.7
115.03943	0.7
117.06989	2.5
119.08539	2.5
120.26929	0.5
121.10130	3.1
123.08087	1.0
123.11707	0.7
124.07580	6.3
125.09609	4.5
127.03918	1.5
129.06981	0.9
129.19482	0.5
131.08568	1.8
133.10132	1.6
135.08037	2.6
135.11703	2.0
136.11261	0.6
137.09625	0.5
139.11203	0.6
140.07095	1.4
141.07841	0.7
142.08618	9.0
143.08568	0.8
145.10143	1.8
147.11687	1.1
149.13225	0.7
153.09125	2.1
158.08096	9.1
163.11230	0.6
170.08092	3.2
173.09602	0.7
173.11743	0.8
173.13217	0.5
184.07394	1.6
189.11252	1.9
191.10689	0.8
202.10703	0.7
227.12756	4.3
235.71700	0.5
261.22272	0.8
335.25766	7.4
431.52652	0.5
471.96332	0.5
600.42865	0.5
628.42084	0.6
646.43127	1.1
664.43701	2.5
708.46405	0.7
826.49310	87.7
827.49628	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	6.1
65.03920	3.7
67.05492	54.0
69.03403	3.2
69.07053	19.1
73.02889	3.7
79.05482	55.6
79.10602	2.3
81.03430	3.9
81.06614	4.0
81.07048	55.2
82.41016	2.6
83.08604	9.9
85.02896	6.2
91.03951	2.7
91.05469	53.8
93.07034	57.6
95.04964	9.2
95.07321	2.9
95.08589	43.1
97.02840	3.4
97.06497	5.9
97.10173	8.8
101.36375	2.4
103.05478	2.9
105.07021	57.7
107.08574	30.9
109.06445	2.5
109.10141	19.2
111.08029	3.0
115.05485	3.5
117.07013	22.8
119.08569	37.8
121.10117	22.8
123.08041	3.6
123.11654	3.5
125.09554	3.2
128.06184	5.8
129.06972	18.6
131.02382	2.4
131.08539	32.4
133.10118	31.5
135.11719	11.7
138.39323	2.0
141.06920	5.8
142.07771	4.0
143.08563	19.9
145.10120	27.7
147.11671	20.1
149.09593	3.7
149.13216	10.3
155.08568	12.1
157.10075	20.5
159.11671	20.0
161.13208	9.2
163.14804	3.2
167.08525	6.7
169.10083	12.5
170.85568	2.7
171.11592	13.7
173.13199	11.8
181.10118	6.6
182.10852	2.8
183.11635	15.0
185.13246	11.4
187.14827	6.4
195.11639	8.4
197.13222	10.3
199.14792	10.8
207.11676	4.5
209.13249	8.1
211.14789	8.5
213.16423	3.2
221.13222	4.8
223.14781	6.0
225.16371	5.6
227.18019	3.0
231.17537	2.4
235.14722	3.4
237.16394	4.0
239.17986	3.9
249.16368	2.5
255.17491	4.2
257.19028	6.4
259.20401	7.1
261.22031	4.2
297.22076	2.6
331.22473	2.8
333.20239	2.4
333.24203	7.2
335.25708	6.7
404.30411	2.7
435.32352	2.6
447.32397	3.5
517.40198	11.1
535.40985	4.8
540.37543	3.1
555.01971	2.7
591.43524	8.3
609.45044	100.0
610.45111	11.1
697.22491	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02887	2.6
64.43372	1.3
65.03922	3.9
67.05495	75.9
68.80527	1.3
69.03417	7.6
69.07058	26.9
71.04968	6.1
71.53648	1.9
73.71341	1.2
79.05482	63.5
81.03410	9.8
81.07046	85.1
83.04988	7.9
83.08617	10.1
85.02897	7.1
85.06491	2.3
91.05464	42.3
93.07033	66.9
94.07343	1.8
95.04960	11.0
95.08591	49.3
97.02862	4.7
97.06520	9.5
97.10149	6.0
99.08047	3.7
103.05450	1.5
105.07017	31.5
107.04926	6.6
107.08587	39.7
109.02826	1.7
109.06466	4.6
109.10142	22.8
111.08041	5.1
113.09595	1.5
117.06995	16.5
119.08566	26.0
119.09395	2.3
121.06456	4.6
121.10129	23.8
123.08025	4.0
123.11679	5.6
125.09555	1.8
127.03873	2.4
128.06197	2.0
129.05458	1.8
129.06993	4.2
131.08549	21.6
131.80548	1.4
133.10117	20.9
135.08032	3.2
135.11679	17.8
137.09584	3.8
137.13295	1.7
141.06940	2.4
143.08540	3.9
144.09183	1.6
145.10089	15.8
147.11685	13.7
149.09579	7.0
149.13228	12.8
155.08522	2.4
157.10120	4.0
159.11697	15.2
161.13243	6.0
163.11156	6.2
163.14847	3.2
165.12656	2.1
169.10146	2.0
171.11641	3.6
173.04428	2.9
173.11891	1.8
173.13187	8.0
175.14745	2.0
177.12755	4.4
179.14255	1.9
183.11639	3.1
185.13217	2.5
187.14803	2.8
189.11040	1.7
195.11931	1.3
195.13812	5.3
223.14835	1.7
227.12646	2.2
229.14258	2.2
239.17982	4.1
241.19487	1.5
243.21036	3.7
247.20535	1.9
251.16397	1.8
255.15871	10.3
257.19003	5.7
259.20544	2.5
261.22110	9.6
267.15796	1.7
269.17432	20.8
275.20047	17.3
276.20282	1.8
293.20895	2.1
309.20660	2.3
316.07434	1.3
331.22763	2.6
335.25745	100.0
336.26001	5.5
349.23767	17.3
367.24655	3.3
413.21664	2.0
489.35492	4.0
515.37292	16.0
516.37543	1.6
529.38831	59.9
530.39081	4.8
535.41138	1.8
569.41833	5.5
609.35748	2.0
609.44897	21.5
610.45184	3.3
627.45660	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	824.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.7
61.02916	2.0
65.03930	4.9
67.05496	100.0
69.03413	10.1
69.07062	27.8
71.04981	4.9
71.08604	1.5
71.58522	2.2
79.05481	97.7
80.05822	1.7
81.03418	7.5
81.07047	84.2
83.04982	9.1
83.08606	30.0
85.02886	4.2
85.06535	5.1
91.05470	50.7
93.07035	80.4
94.07360	1.6
95.04961	10.6
95.08598	57.9
95.60430	1.2
97.02889	2.7
97.06527	7.2
97.10159	58.4
99.04460	1.9
99.08099	2.3
105.04540	1.9
105.07018	53.0
107.04952	5.1
107.08582	98.5
109.02857	2.8
109.06525	6.4
109.10136	29.5
111.08051	4.7
113.09711	1.3
114.25956	1.3
115.05470	1.8
117.06987	17.5
119.08566	31.2
121.06500	2.1
121.10127	26.8
123.08074	3.4
123.11698	9.1
125.09617	46.1
127.03876	3.9
129.06990	4.8
130.07774	1.3
131.07553	1.9
131.08553	24.5
133.10109	24.4
135.08070	6.2
135.11662	18.0
137.09608	3.2
137.13210	2.6
143.08534	4.1
143.10680	2.6
145.10097	25.4
147.11674	18.7
149.09595	8.7
149.13228	7.5
153.09073	3.2
155.08571	1.5
157.10143	4.5
159.11662	16.0
161.13245	10.5
163.11180	2.0
163.14841	4.1
168.09245	1.4
169.10129	2.2
171.07823	1.5
171.10248	2.8
171.11676	6.2
173.11931	1.9
173.13240	8.4
175.11192	1.6
175.14859	2.3
179.14244	1.7
181.12308	1.5
183.11662	3.2
184.51389	1.5
185.13248	2.5
187.13246	2.4
187.14816	4.1
189.11205	28.4
197.13242	2.1
199.15045	1.6
201.16415	1.8
227.12759	57.8
229.19432	1.8
239.17935	4.1
243.21005	2.9
245.13866	3.8
252.87845	1.4
257.18997	10.6
259.20587	5.2
261.22110	19.4
261.45773	1.3
275.20044	45.6
276.20389	1.6
277.21552	2.5
280.67572	1.3
293.21039	2.4
295.20908	1.3
313.21335	1.9
317.24799	2.0
331.22665	6.1
333.24237	5.4
335.25751	99.4
336.26169	4.3
349.23685	47.3
351.25473	2.9
367.29636	2.5
369.24326	1.5
389.18167	3.6
431.31442	1.5
487.34064	3.7
505.35107	24.7
517.40393	2.1
535.41388	3.1
591.43665	1.8
609.45068	97.8
610.45227	7.6
627.46265	15.7
639.93420	1.3
649.39215	3.7
653.24164	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	11.1
57.91525	3.3
67.05140	5.8
67.05499	97.7
67.49329	3.4
68.43375	3.6
69.03416	9.6
69.07062	38.7
71.04991	6.8
71.64017	4.9
72.51080	3.6
79.05483	82.1
81.03403	16.1
81.06615	7.8
81.07050	100.0
83.04975	11.0
83.08616	17.1
85.02914	7.4
85.06525	7.5
91.05476	78.8
93.07031	86.1
95.04954	15.5
95.08598	57.6
97.02843	6.7
97.06520	11.2
97.10165	11.1
103.02853	3.9
103.05446	4.4
105.07010	81.6
107.04951	9.4
107.08583	49.7
109.06495	11.9
109.10133	28.7
111.04499	4.3
111.08086	9.6
117.07000	32.9
119.08569	67.1
119.36591	3.7
121.06483	8.8
121.10120	28.8
123.08064	5.2
123.11708	8.8
125.09582	7.6
127.03863	4.0
129.06978	22.8
130.54895	3.8
131.08557	39.8
133.10106	50.6
135.07986	6.7
135.11684	24.7
142.07704	4.9
143.08551	29.1
145.10126	34.2
147.11636	33.0
149.09647	13.6
149.13240	9.2
155.08516	10.8
157.10115	21.3
159.11681	27.3
161.13257	15.8
163.11197	12.2
169.10141	12.1
171.11674	17.3
173.13237	16.9
175.14792	8.1
177.12723	5.2
183.11723	7.3
184.07298	3.6
185.13242	10.7
187.14786	5.2
196.07204	5.1
196.24681	4.1
196.86482	4.2
197.13268	12.9
199.14967	6.4
209.13214	5.6
227.12767	4.7
239.17967	3.8
241.19498	15.9
255.15968	9.3
257.19043	8.0
259.20590	41.4
267.83170	4.1
269.17453	17.0
275.20059	20.9
277.21680	4.7
315.23120	6.1
333.24249	39.8
349.23712	12.4
367.24844	6.3
435.32712	5.9
439.39157	4.0
471.34689	5.5
489.11758	4.5
509.36401	5.1
513.35474	11.6
527.37201	44.0
545.37708	5.4
607.43652	20.4
625.44489	28.4
822.52588	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	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	12.6
67.05498	49.3
69.07062	41.2
70.87763	8.7
79.05483	43.1
81.03387	10.6
81.07039	60.2
83.04976	6.8
83.08600	8.9
83.86115	4.9
91.05472	79.9
93.07040	65.0
94.07873	4.5
95.01263	6.9
95.04940	11.1
95.08595	43.5
97.02849	5.4
97.06516	25.4
104.14997	4.5
105.07012	98.3
107.04930	17.0
107.08564	32.1
109.06467	4.9
109.10146	14.7
117.06998	18.2
117.16926	5.1
119.08578	54.5
121.10110	18.0
125.06334	4.4
129.06989	7.1
131.08531	31.2
133.10110	52.1
135.08032	10.2
135.11670	12.1
143.08551	7.5
145.10110	23.4
147.07999	5.9
147.11676	32.7
149.09581	8.5
149.13257	8.8
157.10091	8.3
159.11671	14.4
161.13251	20.4
163.14711	4.7
169.14919	4.3
171.11655	4.6
173.13280	6.4
175.14832	8.0
179.14348	8.2
185.60030	4.6
219.17369	7.0
241.19519	20.1
247.37241	5.3
257.18982	7.8
259.20502	27.9
275.20047	73.1
315.23141	15.8
333.24210	64.8
349.23758	58.5
520.42004	5.3
607.43408	100.0
625.44244	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	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.3
57.07061	1.0
59.62930	0.7
60.58596	0.8
61.02924	0.9
65.03934	1.6
67.05495	39.7
67.41709	0.8
69.03413	7.2
69.07056	26.1
71.04976	2.0
71.11768	1.5
71.12088	1.4
79.05482	34.7
81.03421	3.8
81.07046	38.6
83.04975	3.1
83.08603	9.8
85.02879	1.5
85.06543	1.3
91.04924	1.8
91.05466	20.0
93.07029	31.6
95.04954	8.1
95.08595	25.0
95.67533	0.8
97.02871	9.4
97.06517	3.2
97.10151	10.1
99.08048	0.9
101.09634	1.0
101.86216	0.7
105.04537	1.0
105.07009	15.1
107.04932	3.7
107.07846	1.0
107.08572	18.2
107.09256	1.5
109.06523	2.0
109.10137	12.2
111.08079	1.1
115.05496	1.2
116.06190	0.9
117.07002	6.4
119.04969	1.3
119.08552	14.3
121.06505	2.9
121.10123	9.2
123.08038	2.7
123.11691	2.6
124.28230	0.9
125.09605	8.4
129.06990	3.4
131.08553	9.1
133.06482	3.3
133.10120	6.7
134.07211	1.3
135.08014	4.2
135.11673	5.4
136.96393	0.8
137.09604	2.2
137.13226	1.1
143.08528	2.5
145.06448	0.9
145.10121	6.7
147.08011	4.4
147.11646	4.4
149.09641	1.6
149.13234	5.0
151.11131	1.2
153.09171	1.2
157.10100	2.4
159.11615	5.0
161.09621	2.2
161.13263	2.4
163.11150	2.3
163.14796	1.0
165.09117	1.5
171.11629	2.0
173.13211	1.5
175.11220	1.5
175.14767	1.1
177.12759	1.3
177.16388	0.9
185.13237	0.9
187.14815	1.1
189.11217	2.8
191.14162	0.9
193.12115	0.9
195.13895	1.4
203.36162	0.8
205.12164	1.7
223.13235	14.0
227.12770	3.7
238.96576	0.8
243.21136	2.4
245.18977	1.6
249.14828	2.5
255.17451	1.0
261.19446	1.2
261.22031	8.1
273.18484	10.7
291.19495	100.0
292.19785	3.8
294.18146	1.0
317.24725	2.1
335.25742	62.9
336.25970	2.3
347.22058	1.4
365.23175	55.9
366.23740	1.2
418.69901	0.9
539.96307	1.1
545.37994	3.6
607.43622	1.8
625.44550	58.2
626.44843	3.4
659.55322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	10.0
57.07074	3.3
65.03924	4.1
65.44543	0.8
67.05495	87.7
69.03419	4.7
69.06694	1.5
69.07063	23.4
69.45229	8.3
71.04983	7.0
71.08593	1.1
77.03905	1.3
79.05482	55.2
81.03425	5.8
81.07046	85.2
83.04976	11.6
83.08607	8.5
85.02866	2.3
85.06527	6.2
91.05467	56.9
93.07032	58.6
95.04961	11.7
95.08591	46.1
95.09210	1.8
97.02898	2.1
97.06522	7.8
97.10161	2.5
99.04411	1.5
99.08067	2.1
99.45107	0.9
99.56301	1.0
101.05975	1.0
102.98873	1.0
105.07015	51.2
106.07341	1.6
107.04930	6.1
107.07842	1.7
107.08582	49.8
109.06496	8.2
109.10141	56.9
111.04417	1.8
111.08050	4.8
113.06015	2.2
117.06987	9.3
119.08562	17.7
121.06493	5.9
121.10116	20.0
123.04362	1.1
123.08051	4.7
123.11691	11.7
125.05975	1.1
125.09592	1.7
127.07547	3.2
128.06181	1.4
129.06960	3.3
131.08556	16.9
133.06473	2.8
133.10109	67.6
135.08028	5.0
135.11671	15.0
137.09554	1.6
139.07457	1.2
142.42250	1.0
143.08548	5.7
145.06470	1.3
145.10123	12.0
147.08072	3.6
147.11652	6.7
149.09615	5.0
149.13235	5.1
151.11162	33.1
155.08502	1.4
157.10173	3.0
157.47595	1.1
159.08041	1.4
159.11696	7.4
161.09641	6.6
161.13214	5.0
163.11145	2.2
163.14789	2.3
169.12238	6.7
171.11743	2.3
173.09557	1.2
173.13268	4.3
175.11171	2.6
177.09048	1.8
177.12791	1.3
179.10669	1.8
181.12151	1.3
185.13226	2.0
187.14851	2.3
189.12697	1.3
191.14388	1.3
195.11694	1.3
201.16318	1.1
207.13666	1.1
215.12808	2.7
227.17979	1.5
243.21077	2.7
245.19028	3.8
251.12775	3.3
253.14311	100.0
254.14758	2.1
255.17538	1.7
259.20502	2.1
261.22134	13.2
263.20050	4.0
271.15280	1.5
273.18472	21.6
277.21637	1.5
290.62225	0.9
291.19501	23.7
309.20612	3.4
317.24673	2.8
335.25763	92.0
336.26215	1.8
347.22147	6.9
365.23181	31.1
406.34714	1.1
439.32111	2.1
457.33145	2.0
464.80450	1.0
513.35809	3.3
529.34979	2.9
531.36792	32.9
532.36938	1.8
547.57971	1.1
607.43304	6.1
625.44537	57.5
626.44775	3.4
643.45184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	8.7
57.07053	1.3
65.03925	2.1
67.05495	46.7
69.03429	6.8
69.06694	1.6
69.07058	26.7
71.04977	1.6
71.11932	2.2
76.53349	0.8
79.05479	36.8
81.03420	4.5
81.07044	47.1
81.86162	0.8
83.04972	4.3
83.08610	8.9
85.02906	1.6
85.06559	1.0
91.05466	22.4
92.07421	0.9
93.07033	37.0
95.01311	0.9
95.04957	7.6
95.08590	29.5
95.09203	1.5
97.02877	9.0
97.06510	3.3
97.10148	10.3
105.07012	17.2
107.04943	5.9
107.08578	22.5
109.02880	0.9
109.06512	3.2
109.10139	15.1
111.08050	2.3
117.07001	8.1
119.08569	12.5
121.06493	2.0
121.10120	12.7
123.04373	1.4
123.08080	4.0
123.11668	4.0
125.09599	8.5
129.06990	2.9
130.07794	1.0
131.08543	10.7
133.06502	2.8
133.10120	6.9
135.08064	2.7
135.11676	7.7
137.09607	2.3
143.08513	3.0
145.10104	8.4
147.08009	4.2
147.10715	0.8
147.11678	4.6
149.09608	1.6
149.13234	4.1
151.11098	1.0
157.10071	2.8
159.11665	4.5
161.09628	1.8
161.13232	2.4
162.10208	0.8
163.11246	1.3
163.14786	1.5
165.09201	1.3
169.10129	0.8
171.10222	1.1
171.11713	2.6
173.11800	0.9
173.13264	2.6
175.11063	1.6
175.14828	1.3
177.12686	1.4
177.16399	1.2
185.13161	1.4
187.11176	1.1
187.14877	1.2
189.11183	4.6
193.12143	1.7
195.13846	1.2
205.12163	1.5
223.13258	18.4
227.12762	4.2
243.21098	3.5
249.14870	2.9
255.17395	1.1
261.22092	7.9
273.18448	11.1
279.81210	0.9
289.49283	0.9
291.19492	100.0
292.19833	2.6
317.24698	3.4
335.25760	93.0
336.26111	3.7
347.22043	2.9
365.23193	44.9
366.23462	1.5
439.42822	0.9
545.38348	3.7
551.40216	0.8
557.37946	1.3
607.43170	2.8
625.44562	84.6
626.44733	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	819.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	19.8
57.07043	2.2
65.03918	5.5
67.05147	4.4
67.05495	69.1
67.82527	2.0
69.03403	10.7
69.07059	16.0
69.96591	9.5
69.97002	3.8
71.04967	7.1
71.32507	2.1
73.02934	2.2
75.22607	2.3
78.24712	2.2
79.05032	3.1
79.05477	47.8
81.03405	27.2
81.07040	51.6
83.04964	9.7
83.08578	9.7
84.08127	2.7
85.02876	4.6
85.06532	13.7
91.04926	4.0
91.05464	44.4
93.07027	39.5
95.04955	63.9
95.08600	25.5
97.02874	8.2
97.06500	9.5
97.10141	5.7
98.20777	3.3
99.04426	4.7
103.05437	3.6
105.07023	31.5
107.04932	13.9
107.08575	30.9
109.02869	6.1
109.06498	60.8
109.10130	13.6
111.04398	3.0
111.08057	6.2
113.06001	32.0
117.07007	18.1
119.08553	19.5
121.06483	8.8
121.10118	13.1
123.04380	2.4
123.08042	9.9
125.09640	2.4
127.03866	7.4
129.06982	14.3
131.03688	2.3
131.08557	29.4
133.06448	3.0
133.10118	21.9
135.07048	3.8
135.08028	46.2
135.11668	8.9
137.05949	2.4
141.06947	3.4
143.08540	10.3
145.06480	2.6
145.10120	18.1
147.08035	8.1
147.11633	8.3
149.09618	6.7
149.13222	9.4
151.11230	3.1
157.10109	10.1
159.07994	7.4
159.11647	13.0
161.09598	6.9
163.11145	5.3
164.32069	2.6
169.10147	2.7
171.11665	5.0
173.04468	9.4
173.09560	3.2
173.13254	4.0
175.11137	4.4
177.12656	4.2
185.13182	3.0
187.11108	4.4
195.11769	2.6
195.13673	4.7
199.14742	4.4
201.12715	3.0
217.15840	8.9
251.16588	2.9
255.17607	3.1
269.17374	7.7
273.18454	41.1
275.19980	14.9
291.19507	100.0
309.84424	2.5
347.21902	10.8
349.23703	8.2
365.23248	15.8
413.21576	11.6
501.31525	2.5
541.35370	13.6
559.36230	31.6
621.41327	5.7
639.42328	10.4
657.42804	6.8
703.40582	18.2
801.48694	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	821.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	1.5
57.03429	17.4
57.07060	1.7
61.02917	67.1
65.03920	2.8
67.05496	28.7
69.03422	23.0
69.07054	6.7
69.98380	3.9
70.06579	1.1
71.01331	2.9
71.04964	2.7
73.02907	20.6
75.04485	1.5
79.05479	15.5
81.03410	21.0
81.03880	1.0
81.07044	29.8
83.01318	1.8
83.04951	4.6
83.08597	4.2
85.02892	100.0
85.06551	1.7
87.04462	3.4
88.07618	2.1
91.03943	52.0
91.05460	13.8
93.05526	0.9
93.07034	19.6
95.04968	4.2
95.08593	23.2
97.02879	68.2
97.06512	2.8
97.10169	1.4
99.04442	11.3
99.08080	0.9
99.21475	0.9
101.02386	5.1
103.03928	8.9
105.07017	11.3
107.04962	1.0
107.08579	13.2
109.02863	12.0
109.06495	2.8
109.10145	12.1
111.04431	3.7
111.08063	0.8
115.03904	6.8
117.05447	2.9
117.07002	5.0
119.08566	9.2
121.06512	1.7
121.10126	11.0
123.04427	1.0
123.08000	1.1
123.11684	4.3
125.06003	1.0
125.09644	1.1
127.03899	34.7
129.05455	4.7
129.07004	1.1
131.08551	9.8
133.06544	1.5
133.10129	7.7
135.11671	9.9
137.05963	1.2
137.13248	1.7
139.11269	0.9
143.08543	2.7
145.04936	27.6
145.06122	1.7
145.10068	7.1
147.11644	5.7
149.02327	4.8
149.09570	1.2
149.13232	6.0
155.08487	1.6
157.10103	2.4
159.06523	2.3
159.11676	5.1
161.13260	4.7
161.14397	0.9
163.05992	17.3
163.11150	1.7
163.14813	2.3
167.08640	0.8
169.05014	1.0
169.10147	1.5
171.06465	1.2
171.11673	2.0
173.13226	5.6
175.14838	2.1
177.12759	1.1
181.10068	0.9
183.06500	8.5
183.11708	1.6
185.13249	1.6
187.11172	1.1
187.14842	2.5
193.04956	2.3
195.11656	0.9
197.13268	1.3
199.14764	1.1
201.07544	5.9
201.12779	0.9
201.16359	1.4
219.08514	0.9
227.14264	0.8
227.72124	0.8
228.23189	2.7
239.18117	0.9
241.06960	1.4
241.19632	1.2
243.21056	5.1
259.20508	2.6
261.22110	16.7
273.21960	1.4
285.22070	1.3
289.21457	1.5
303.23123	2.6
315.23270	1.0
317.24783	1.9
327.23370	1.3
335.25757	56.4
336.26187	2.0
341.24728	1.6
345.24237	1.4
351.23065	2.5
353.26556	0.9
358.94351	1.0
363.25162	3.3
369.24130	4.0
377.26837	3.6
387.25552	1.9
405.26520	2.3
443.27979	6.0
461.28531	4.1
479.29913	10.3
497.30881	3.2
593.65637	1.1
755.19336	0.9
822.36749	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	819.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.1
59.04983	1.6
61.02919	2.2
65.03931	5.1
67.05496	71.3
69.03414	9.3
69.07059	16.5
69.42318	2.5
69.42733	11.1
71.01324	1.5
71.04997	7.4
79.05484	47.6
81.03407	23.8
81.07047	48.0
83.04964	8.3
83.08602	11.5
85.02901	5.6
85.06535	13.0
91.05467	43.1
91.06039	1.9
93.07031	46.6
93.07595	2.8
94.07368	1.6
95.04958	64.0
95.08595	25.9
97.02348	1.5
97.02863	9.4
97.06510	12.0
97.10150	4.6
99.04456	3.2
99.08087	2.0
103.05468	2.9
105.04512	1.6
105.07018	44.3
107.04940	17.6
107.08578	35.2
109.02859	2.6
109.06502	60.8
109.10149	10.4
111.04411	2.7
111.08043	4.7
113.05994	30.8
115.05408	2.5
117.07001	20.5
119.04913	1.9
119.08566	24.9
121.06529	9.1
121.10134	12.0
123.04373	1.6
123.08077	7.6
123.11693	4.3
125.09613	5.4
127.03906	5.3
128.06224	3.3
129.06978	13.5
131.08549	25.5
131.09480	2.2
133.06480	5.2
133.10123	18.9
135.08043	42.7
135.11670	12.0
137.05934	1.5
137.09613	4.3
141.06984	2.2
142.07751	2.1
143.08528	13.5
145.06476	4.2
145.10107	19.3
147.08008	6.6
147.11656	11.5
147.14281	1.3
149.09605	11.8
149.13229	7.8
151.11174	3.3
155.08527	3.6
157.10085	11.6
159.08064	4.7
159.11668	14.2
161.09587	10.7
161.13260	3.8
163.11124	8.7
165.09126	2.3
165.12756	1.6
169.10138	5.6
171.10323	1.4
171.11696	5.7
173.04416	6.7
173.09599	2.6
173.11876	2.0
173.13258	5.5
175.11246	3.2
175.14748	1.4
177.12773	6.9
179.14212	2.2
181.10123	1.4
183.11682	4.1
185.13266	3.3
187.11163	2.8
187.14752	1.5
188.38686	1.2
189.09135	1.5
189.11157	1.4
191.14319	3.2
193.53586	1.4
195.11853	2.2
195.13774	3.3
197.13202	2.6
199.14824	5.3
201.12766	1.9
207.13799	1.7
213.12697	1.6
217.15848	12.7
219.73547	1.3
221.13229	1.7
227.12769	4.9
227.17992	2.0
229.14264	2.3
229.19370	1.8
233.02861	1.8
233.15286	1.9
237.16444	2.4
239.17863	2.3
245.18852	2.1
247.16953	1.6
255.17427	3.7
257.19025	5.1
269.17487	4.1
273.18445	44.0
274.18765	2.1
275.17108	2.7
275.20035	27.5
276.20264	1.8
279.15881	4.0
289.18164	1.8
291.19501	100.0
292.19836	2.9
331.22574	2.9
339.18127	1.5
347.22186	12.5
349.23755	17.4
365.23184	21.5
413.21625	7.3
501.32022	1.9
511.29837	1.4
519.32776	2.0
520.92450	1.7
527.34027	1.6
541.35059	9.6
554.80640	1.7
559.36212	22.1
581.38208	3.0
596.95471	1.6
621.41486	11.8
639.42535	24.9
657.43549	2.5
685.39270	1.8
703.40210	7.4
765.45483	1.7
801.46808	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	815.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03952	0.2
64.20311	0.1
65.03905	0.2
66.17395	0.2
67.05472	0.3
69.03379	0.5
69.64042	0.7
69.64456	0.3
81.03391	0.2
81.07014	0.3
83.05443	0.1
85.02856	0.6
89.03865	0.7
91.05449	0.2
93.07025	0.3
94.67509	0.1
95.04963	0.2
95.08559	0.3
95.48062	0.2
97.02879	4.0
97.06496	0.2
100.05662	0.1
101.02338	0.4
103.05430	0.2
105.06984	0.2
107.08583	0.3
107.57955	0.1
109.06438	0.2
109.10105	0.2
117.03366	2.2
119.08548	0.2
121.10030	0.1
123.04366	0.4
123.11622	0.1
125.23682	0.1
127.03852	0.5
129.06970	0.2
134.03575	0.2
135.04414	0.2
137.05962	0.3
139.03793	0.2
139.07512	0.2
145.02832	5.5
145.04817	1.0
145.10039	0.2
147.04341	0.4
149.02354	0.2
149.05902	0.9
151.03810	0.2
153.01796	1.1
157.06479	0.2
159.11661	0.2
161.06035	0.2
163.03821	0.6
167.03328	0.6
167.06972	0.8
170.02002	0.2
177.05444	10.2
178.02573	0.4
178.06227	3.3
179.03339	0.4
183.02806	0.2
185.05966	0.3
189.09003	0.2
195.06516	0.2
199.07547	0.3
204.04105	0.4
207.06607	0.1
209.05862	0.1
212.04765	0.2
213.05397	0.3
216.04152	0.6
217.04857	0.5
227.06839	0.2
228.04126	0.3
231.02739	0.2
231.06471	0.4
233.18948	0.2
241.04813	0.4
243.06551	0.3
244.03629	0.6
245.08191	0.3
255.02870	4.8
259.06046	0.9
266.42111	0.1
269.04410	1.9
271.06042	0.3
272.03168	0.3
273.04132	0.2
273.07608	0.2
281.04416	0.4
282.05026	0.2
283.02353	1.4
283.05991	0.6
284.03369	0.2
284.06668	0.4
285.04092	0.2
287.05463	5.9
287.08698	0.3
288.05850	0.3
291.08493	1.0
297.03876	1.5
298.04642	0.2
299.05444	1.0
300.02585	1.6
301.07059	0.3
309.09634	2.1
311.05334	0.3
312.06277	1.0
313.06967	1.0
314.07416	0.2
315.04938	42.2
316.05173	1.1
329.06583	1.1
330.07285	16.4
331.07587	0.4
339.10654	0.2
345.09628	100.0
346.09976	2.8
423.35953	0.3
507.14923	28.9
508.15143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.4
61.02914	11.4
65.03932	7.6
67.05495	100.0
69.03418	25.5
69.07066	42.9
71.04970	11.1
73.02908	9.0
79.05485	88.2
81.03402	29.3
81.07045	86.3
83.04979	23.0
83.08604	23.9
85.02885	15.1
85.06520	10.9
91.04922	6.4
91.05467	93.3
93.07032	80.6
95.04955	37.9
95.08598	50.5
96.27686	3.3
97.02874	17.6
97.06513	32.7
97.10165	22.3
98.31884	3.4
99.04457	9.4
103.05464	3.6
105.04549	6.3
105.07020	84.4
107.04939	35.9
107.08570	56.0
109.02911	5.3
109.06496	39.6
109.10135	31.8
111.04446	4.0
111.08082	9.5
113.05990	10.8
115.05434	3.1
117.07002	41.2
119.08560	57.4
121.06487	11.0
121.10117	28.2
123.04449	5.9
123.08042	16.5
123.11683	8.8
125.05971	3.6
125.09615	17.0
127.03846	7.1
128.06221	6.9
129.05418	4.7
129.07011	24.5
131.04849	3.7
131.08560	45.0
133.06464	6.2
133.10109	41.4
135.08022	25.8
135.11679	18.0
137.09592	7.6
141.06955	4.0
142.07758	3.8
143.08499	16.5
145.06453	8.0
145.10104	31.9
147.08044	12.4
147.11664	23.2
149.09604	19.8
149.13239	9.0
151.07497	4.6
151.11107	4.2
155.08554	10.0
157.08705	5.5
157.10115	18.7
157.11261	3.2
159.08063	10.0
159.11661	19.7
161.09569	11.8
161.13202	9.4
163.11166	13.7
165.09052	4.8
165.12755	3.3
167.08514	5.0
169.10075	7.2
171.11694	12.1
173.04346	4.6
173.09584	11.8
173.13280	9.5
175.11188	7.1
175.14810	3.8
177.12802	8.6
179.14261	4.7
181.10143	6.7
183.11674	6.0
185.13223	6.1
187.11163	6.1
187.14818	5.7
189.11241	8.0
189.12721	3.9
193.12262	5.1
195.11668	6.4
197.13287	4.7
199.11195	3.4
199.14963	3.8
201.12672	4.3
217.15871	4.1
219.13736	3.5
223.13235	13.0
227.12727	24.5
227.18106	3.7
233.15323	4.1
245.13680	5.0
257.18982	11.0
259.20520	8.1
271.16934	11.9
273.18469	28.6
275.20044	63.9
289.17972	25.0
291.19507	98.4
293.20966	5.5
333.24100	11.4
347.22089	8.2
349.23679	33.2
363.21432	6.8
365.23199	28.4
462.10135	3.7
525.35675	3.7
541.34705	4.7
543.37012	3.3
559.36304	10.5
603.40491	4.5
621.41522	31.5
639.42468	39.5
657.42969	11.3
819.48932	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	815.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	0.1
70.06564	0.1
71.66100	0.1
80.63515	0.1
85.02876	0.3
86.04675	0.1
97.02883	0.6
97.06505	0.2
107.04929	0.1
115.17567	0.1
117.03401	0.2
123.04426	0.4
134.05907	0.1
135.04372	0.1
137.02324	0.2
145.02855	0.6
147.04424	0.2
149.02330	0.1
149.05899	0.2
151.07338	0.1
153.01787	1.3
153.05403	0.1
161.02396	0.2
161.05931	0.2
163.03838	0.6
167.03418	0.2
167.06998	0.7
170.02048	0.2
176.04785	0.2
177.05464	1.3
178.02638	0.4
178.06227	3.0
179.03377	0.4
183.02811	0.2
185.05940	0.1
191.07094	0.2
200.02995	0.1
203.03456	0.2
204.04187	0.3
211.03816	0.1
213.05428	0.1
216.04160	0.8
217.04889	0.5
227.03468	0.2
228.04192	0.3
231.02887	0.2
231.06523	0.8
241.04861	0.7
243.06525	0.5
244.03584	0.8
245.04346	0.2
255.02873	5.8
256.03244	0.2
257.04575	0.2
259.06000	1.4
269.04376	1.9
271.06082	0.3
272.03122	0.2
281.04446	0.5
283.02365	1.3
283.05991	0.6
284.03119	0.4
284.06754	0.5
285.03906	0.3
287.05466	6.8
288.05820	0.2
289.10709	0.3
297.03918	1.5
298.04626	0.3
299.05438	1.2
300.02612	2.5
300.05585	0.1
301.03467	0.2
301.07095	0.4
303.04996	0.4
311.05423	0.5
312.06198	1.0
313.07095	0.7
314.07480	0.1
315.04944	37.0
316.05331	1.4
329.06522	1.0
330.07288	16.4
331.07590	0.7
345.09637	100.0
346.09988	3.5
387.27795	0.1
394.49454	0.1
415.00403	0.1
507.14792	0.6
577.09857	0.3
653.14490	0.2
654.10205	0.1
813.01038	0.1
825.81671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.04984	0.2
63.02086	0.1
63.02396	0.4
69.03420	9.7
69.64008	0.2
69.64417	0.5
70.03769	0.1
75.04483	0.2
77.03947	0.1
77.66503	0.1
78.04709	0.2
81.03432	0.1
85.02893	3.3
87.04455	2.3
89.03900	3.4
89.04446	0.2
91.05483	0.2
95.04958	0.2
97.02879	2.4
97.03480	0.2
99.04473	0.1
103.05466	0.2
106.04154	0.2
107.04971	0.1
109.02879	0.3
115.03915	1.5
117.03363	10.9
118.03727	0.2
119.04942	0.1
121.06567	0.1
124.05143	0.1
127.03894	2.5
131.04900	0.1
133.04961	1.2
134.03609	0.8
135.04399	1.0
137.05954	0.3
145.02826	38.5
146.03146	0.5
147.04320	0.1
149.05957	4.3
158.06053	0.2
162.03093	0.2
163.03877	0.9
171.08116	0.1
177.05441	100.0
178.05807	2.0
186.05455	1.0
191.06929	0.1
195.06508	5.6
196.06941	0.1
215.06868	0.1
217.08604	0.1
219.06491	0.1
231.06473	0.2
233.08093	0.2
241.04883	0.1
243.06366	0.2
255.02776	0.5
259.06006	0.1
261.07355	0.4
269.04471	0.2
287.05408	0.5
291.08630	0.2
297.03845	0.1
299.05182	0.2
300.02606	0.1
303.08414	0.1
315.04935	3.6
316.05399	0.2
321.09653	5.0
322.09775	0.1
330.07312	1.4
339.10712	9.1
340.11023	0.3
345.09647	8.3
346.09894	0.3
387.21829	0.1
471.14795	0.2
603.16962	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	815.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.8
59.04988	0.3
61.02928	0.1
62.01598	0.1
63.02332	0.2
67.37379	0.0
69.03415	12.1
70.03750	0.1
70.13084	0.3
71.01337	0.1
71.04972	0.1
73.02910	0.1
75.04471	0.2
78.04707	0.2
81.03383	0.1
85.02885	4.3
87.04449	2.7
89.03890	3.1
90.04256	0.1
91.05463	0.2
93.07052	0.1
95.04959	0.1
97.02876	3.3
98.23055	0.0
99.04457	0.1
103.05453	0.1
106.04141	0.2
109.02881	0.2
115.03098	0.1
115.03906	2.1
117.03352	10.1
118.03686	0.1
119.04926	0.1
120.68793	0.0
124.05202	0.1
127.03886	2.6
129.06963	0.1
131.04945	0.1
133.04927	1.4
134.03607	0.8
134.04552	0.1
135.04387	0.8
137.05939	0.2
145.02815	38.8
146.03105	0.5
147.04424	0.1
149.05948	4.1
150.06325	0.1
151.03856	0.1
153.01720	0.1
157.06421	0.1
158.05971	0.2
161.05959	0.1
162.03072	0.3
163.03865	0.8
175.03860	0.1
175.07535	0.1
177.05426	100.0
178.05780	1.9
186.05431	0.9
187.07591	0.1
189.05420	0.1
195.06491	5.4
196.06822	0.1
199.07414	0.1
199.59047	0.1
201.05408	0.1
203.06940	0.1
205.04961	0.1
207.06548	0.1
215.07047	0.1
216.04073	0.1
219.06451	0.1
231.06512	0.2
233.08066	0.2
241.04944	0.1
243.06438	0.1
244.03670	0.1
245.08110	0.1
255.02826	0.5
259.06052	0.1
261.07492	0.4
269.04312	0.1
283.02307	0.2
283.05756	0.1
284.03165	0.1
285.07480	0.1
287.05441	0.5
291.08566	0.2
297.03848	0.1
299.05432	0.1
300.02631	0.2
303.08505	0.1
309.09592	0.1
312.06183	0.1
315.04916	3.0
316.05194	0.1
321.09628	5.7
322.09970	0.1
329.06628	0.1
330.07254	1.3
339.10678	13.3
340.10910	0.4
345.09610	8.7
346.09952	0.3
471.14795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.0
61.05351	0.0
65.03917	0.0
68.80029	0.0
68.99775	0.1
69.65021	0.3
85.02882	0.1
89.03879	0.1
89.95966	0.0
95.04920	0.1
97.02880	0.4
97.06499	0.1
103.05423	0.0
107.04923	0.2
117.03365	0.3
121.06519	0.1
123.04394	0.3
124.05154	0.0
125.48307	0.0
126.03062	0.1
129.07037	0.0
135.04343	0.1
137.02271	0.1
137.05899	0.1
139.03864	0.1
139.07516	0.1
145.02826	0.6
147.04373	0.1
149.02336	0.1
149.05945	0.2
151.03888	0.1
152.01134	0.0
153.00633	0.1
153.01802	1.2
157.06419	0.1
160.05112	0.1
161.02298	0.2
161.05949	0.1
162.06720	0.1
163.03889	0.9
165.09071	0.0
166.99394	0.0
167.03383	0.2
167.07005	0.7
170.02110	0.2
175.03795	0.1
176.04636	0.1
177.05463	1.0
177.07021	0.1
178.02670	0.4
178.06216	3.5
179.03349	0.3
179.06548	0.1
183.02841	0.2
185.05959	0.1
189.05417	0.1
191.03403	0.1
191.07048	0.1
197.05954	0.1
200.04633	0.1
203.03398	0.1
203.06999	0.1
204.04198	0.3
205.04924	0.1
211.03935	0.1
213.05415	0.2
216.04129	0.9
217.04922	0.4
218.05832	0.0
225.05469	0.1
227.03423	0.3
228.04094	0.2
229.04951	0.1
231.02908	0.3
231.06439	0.7
241.04967	0.6
243.06462	0.5
244.03621	0.8
245.04347	0.2
245.08055	0.1
253.04964	0.2
255.02840	7.1
256.03354	0.3
257.04361	0.1
259.05997	1.6
266.05554	0.1
267.06537	0.1
269.04395	2.1
270.04892	0.1
271.06012	0.3
272.03070	0.3
281.04422	0.5
283.02304	1.6
283.05899	0.5
284.03033	0.5
284.06744	0.4
285.03815	0.2
285.07297	0.1
286.04654	0.1
287.05453	7.1
288.05756	0.3
289.10690	0.2
291.08603	0.1
295.06390	0.1
297.03870	1.9
297.07288	0.1
298.04556	0.3
299.02127	0.0
299.05423	1.1
300.02612	2.4
300.05536	0.1
301.03229	0.1
301.06982	0.3
302.07751	0.2
309.09750	0.1
311.05484	0.4
312.06238	1.0
313.06998	1.0
314.04077	0.1
314.07718	0.2
315.04926	42.2
316.05273	1.5
317.10181	0.2
329.06500	0.9
330.07272	19.5
331.07590	0.6
345.09613	100.0
346.09958	3.4
366.22018	0.0
489.12277	0.1
507.14899	0.6
637.92035	0.0
639.19751	0.1
726.48059	0.1
845.98529	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	815.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26642	0.1
69.03394	0.1
70.63832	0.3
80.31193	0.1
85.02893	0.1
91.05434	0.2
95.04899	0.1
97.02872	0.4
117.03360	0.3
119.04899	0.3
123.04411	0.3
131.04857	0.2
135.04407	0.2
137.02362	0.2
137.05951	0.4
143.84465	0.1
145.02826	0.8
147.04388	0.5
149.06001	0.1
153.01819	1.3
161.02309	0.2
163.03897	0.7
167.03467	0.1
167.07016	0.8
170.02074	0.3
175.03922	0.6
177.05441	1.4
178.02600	0.4
178.06235	3.1
179.03357	0.3
183.02809	0.3
189.05403	0.2
204.04176	0.3
207.06468	1.0
216.04156	0.9
217.05040	0.5
226.06377	0.1
227.03415	0.2
228.04073	0.2
231.02917	0.2
231.06430	0.6
241.04942	0.7
243.06424	0.6
244.03668	0.6
255.02864	6.2
256.03342	0.4
259.06012	1.5
260.06335	0.1
269.04407	2.1
269.07651	0.2
270.05017	0.2
271.05914	0.3
272.03061	0.3
281.04388	0.4
283.02335	1.5
283.05966	0.6
284.03131	0.6
284.06589	0.4
285.04089	0.2
285.07565	0.1
286.04587	0.1
287.05466	6.4
288.05884	0.4
289.10794	0.2
297.03915	1.7
298.04620	0.3
299.05533	1.0
300.02609	2.0
300.05774	0.2
301.03549	0.2
301.07071	0.3
302.07791	0.3
311.05493	0.4
312.06226	1.1
313.06952	0.9
314.07755	0.3
315.04950	39.1
316.05298	1.7
317.09985	0.1
329.06433	1.0
330.07297	17.3
331.07584	0.8
345.09637	100.0
346.09982	4.5
351.10556	0.2
365.89041	0.1
369.74149	0.1
507.14975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16219	0.1
69.03420	0.4
69.32242	1.0
79.34357	0.1
85.02876	0.1
88.39378	0.1
89.03899	0.5
95.04935	0.2
97.02877	1.3
107.04926	0.2
116.13254	0.1
117.03362	1.5
123.04411	0.4
134.03693	0.1
135.04428	0.2
137.02400	0.2
137.05957	0.2
139.03865	0.2
139.07526	0.1
145.02823	6.3
146.03123	0.1
147.04298	0.1
149.05923	0.8
153.01814	1.2
161.02303	0.2
161.05962	0.1
163.03877	1.0
167.03343	0.1
167.07002	0.5
170.02031	0.3
175.03838	0.1
175.46986	0.1
177.05447	15.7
178.02713	0.6
178.06226	3.5
179.03378	0.5
183.02911	0.2
186.05484	0.2
195.06490	0.7
204.04106	0.3
213.05411	0.2
215.07054	0.1
216.04079	0.9
217.04932	0.4
227.03325	0.2
228.04185	0.3
229.04843	0.1
231.02824	0.3
231.06459	0.7
239.62547	0.1
241.04803	0.7
242.05704	0.1
243.06458	0.6
244.03603	0.7
245.04326	0.2
255.02852	6.8
256.03262	0.2
259.05991	1.5
268.03693	0.1
269.04379	2.0
271.06000	0.3
272.03076	0.5
273.07504	0.6
281.04471	0.6
283.02335	1.8
283.05954	0.5
284.03107	0.5
284.06729	0.5
285.03879	0.2
286.05014	0.1
286.08405	0.2
287.05466	7.2
288.05951	0.2
289.10623	0.2
291.08557	1.8
297.03915	2.1
297.07236	0.2
298.04837	0.3
299.05423	1.3
300.02628	2.7
300.05902	0.1
301.03366	0.2
301.07053	0.5
309.09653	5.9
310.10059	0.2
311.05463	0.4
312.06235	1.0
313.07025	1.0
314.04114	0.3
314.07568	0.2
315.04944	44.1
316.05319	1.4
329.06522	1.1
330.07291	18.6
331.07751	0.7
345.09631	100.0
346.09991	3.4
357.00870	0.1
507.14795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.6
59.04986	1.0
61.02918	5.5
65.03931	1.1
67.05499	9.1
69.03432	5.7
69.06741	0.5
69.07056	4.2
70.06586	0.8
71.04991	2.2
71.66185	0.7
73.02912	4.2
79.05484	10.7
81.03413	7.4
81.07045	10.2
82.03815	0.6
83.04968	2.6
83.08617	2.3
85.02900	6.7
85.06528	1.1
86.09674	0.6
87.04439	0.7
91.03967	2.9
91.05467	10.8
93.07035	8.3
95.04964	5.5
95.08588	5.1
97.02885	6.0
97.06537	2.7
97.10131	0.9
98.07195	0.6
99.04453	0.9
101.02387	2.5
103.03923	0.8
105.07038	7.5
107.04945	2.0
107.08596	3.9
109.02853	1.0
109.06541	1.7
109.10181	1.8
109.47970	0.5
111.08054	0.7
117.07011	2.0
119.08544	4.8
120.09011	0.6
121.06509	1.1
121.10126	3.0
123.08051	1.0
125.09602	0.8
127.03891	2.1
129.07011	2.4
131.08571	4.0
131.09416	0.7
133.06497	0.6
133.10139	3.2
135.11700	1.6
136.19496	0.7
141.06966	0.9
143.08545	1.2
145.06482	0.9
145.10150	1.7
147.08028	1.0
147.11682	4.1
149.02373	1.1
149.09641	2.7
155.08630	1.1
157.10133	2.4
159.11725	1.2
162.32393	0.6
163.11151	0.9
171.11693	1.2
175.11249	1.8
177.05423	0.8
177.12740	0.9
182.79431	0.6
184.07274	0.7
191.18069	0.6
193.12309	2.5
203.05258	1.1
207.13768	1.4
225.09196	0.7
225.14915	0.7
237.91255	0.7
243.08414	3.5
253.14130	0.7
261.87735	0.6
267.15970	2.1
281.17569	2.4
283.15182	4.5
333.20331	3.0
339.17725	1.0
345.09662	0.7
365.23380	0.9
400.47565	0.8
413.17609	0.7
439.19409	1.3
469.20459	1.4
487.30389	3.1
501.23065	13.8
502.23599	1.2
551.28217	10.5
552.29376	0.8
811.44397	100.0
812.44708	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	814.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
65.03927	3.8
67.05502	2.6
69.03402	1.7
69.07014	0.5
69.47894	4.4
71.01321	0.5
71.04942	0.5
72.02774	0.4
79.05471	1.8
81.03407	1.1
81.07031	1.1
83.04955	0.9
85.02880	1.8
87.00778	0.5
89.03918	5.0
91.05448	2.5
93.03401	3.8
93.07024	0.9
95.04957	0.9
95.08611	0.6
97.02881	47.7
98.20653	0.8
103.05426	0.6
105.01863	0.8
105.06999	1.0
106.04174	0.6
107.04933	0.9
107.08553	0.9
109.02865	1.1
109.44228	0.4
110.03675	0.5
111.04414	1.2
115.05456	2.2
117.03361	16.1
117.06162	0.7
117.07001	9.6
118.03653	0.5
119.08570	0.5
121.02876	1.7
124.05212	1.0
125.02309	1.1
125.06001	0.5
127.03905	1.1
128.06223	1.0
129.06985	3.6
134.03592	1.4
135.04388	1.6
137.05951	5.5
139.03896	0.7
139.05402	0.7
141.06963	1.2
145.02829	46.1
146.03168	1.2
147.04350	0.9
149.02319	4.2
149.05957	5.9
151.03822	1.3
157.06494	5.1
159.02966	0.5
161.06013	1.1
163.03902	0.7
163.07494	0.7
167.03397	20.8
167.04816	1.5
169.06499	0.8
174.06729	0.9
176.82288	0.5
176.90565	0.6
177.05444	100.0
178.05804	2.2
179.07056	0.6
184.05164	0.8
185.05931	1.5
186.05521	1.6
187.07608	0.7
188.08217	0.8
189.05432	1.4
189.09087	5.0
195.04738	0.7
195.06468	3.6
199.07480	2.5
207.06488	1.2
212.04594	0.6
213.05513	1.0
215.07076	1.4
217.08609	4.0
219.06549	0.6
221.07906	0.5
227.07033	2.8
233.08220	0.5
245.08052	6.4
246.08429	0.5
261.07568	0.5
267.08676	0.8
273.07535	1.8
291.08603	15.1
291.19495	0.5
309.09686	2.1
319.13193	1.0
345.09454	1.5
355.17111	0.6
359.68527	0.5
385.11148	0.7
389.13763	1.5
425.10779	1.5
456.41104	0.5
557.14758	1.6
820.33539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17579	0.9
67.05472	1.1
68.99790	1.1
69.03400	1.4
69.28004	9.3
70.06587	0.9
72.31960	0.9
77.09954	0.8
79.05482	1.4
81.03408	0.9
81.07036	1.4
84.08144	0.8
84.46416	0.9
85.02889	3.1
91.05477	3.4
93.07022	0.9
95.04943	1.3
97.02869	2.3
98.20670	1.5
103.05477	1.3
105.07000	1.2
107.04948	3.8
115.05391	1.3
119.04911	1.6
121.06492	1.3
122.53905	0.9
123.04414	1.9
125.06010	1.4
127.03953	1.2
129.84993	0.9
131.01224	0.9
131.04942	1.7
135.04391	2.8
136.05206	1.3
137.02295	1.7
137.05911	2.0
139.07491	1.6
141.06984	1.0
147.04413	6.4
149.02313	2.5
149.05972	4.3
151.03864	1.7
151.07532	3.2
153.01846	1.8
153.05440	2.8
159.04340	1.3
161.02290	1.5
161.05998	3.0
163.03917	5.8
163.07516	1.5
167.03409	3.4
167.06973	5.1
168.07858	1.4
169.06610	1.2
171.04298	1.1
173.06078	1.2
175.03876	2.9
177.05428	7.5
178.06244	8.3
179.03444	3.0
179.07071	6.3
181.05005	1.8
185.05933	1.4
187.03926	1.9
189.05495	2.1
190.06210	1.1
191.03394	2.7
191.07002	7.4
193.08598	1.5
194.09366	3.5
195.06546	3.4
197.05972	1.1
199.07559	1.3
201.05510	2.6
203.03371	1.4
205.04942	21.8
206.05537	1.3
213.05423	2.1
224.04735	1.1
226.72993	1.1
227.03305	1.4
227.07001	1.5
228.04134	1.0
229.04974	3.3
233.04282	1.1
239.06990	2.7
241.04956	2.7
242.05653	1.1
243.02875	1.3
243.06502	2.2
245.04433	1.4
253.04871	1.5
255.02820	1.9
256.07248	1.1
257.04498	4.0
257.07950	2.3
258.05261	2.5
259.05927	1.8
267.06491	1.8
269.04416	3.7
271.02295	1.4
271.05981	1.2
273.07556	2.9
274.04932	1.2
281.04398	1.8
283.05927	1.8
285.03918	4.0
285.07047	1.2
286.04660	1.4
287.05374	4.4
288.05884	3.4
303.04776	2.5
305.08002	1.6
311.05502	1.4
312.06461	1.2
313.06882	1.6
315.05017	2.6
319.09753	1.6
323.05496	2.3
331.08438	2.0
333.07452	2.3
334.08054	1.2
340.05716	1.2
341.07144	1.4
343.06000	1.6
345.09940	3.0
346.08151	1.2
347.09125	2.9
353.10275	4.4
355.08157	1.7
357.07437	1.2
359.08508	1.8
360.09958	1.1
361.06723	2.1
365.10001	1.1
371.05396	1.5
373.06824	1.1
374.07687	1.5
375.08688	5.3
377.10199	2.6
387.08588	4.1
388.05643	1.4
389.06149	4.7
390.06696	1.3
390.11075	3.4
391.11969	1.6
392.13068	1.3
393.09763	1.9
401.06323	2.8
403.07977	8.9
404.08850	2.2
405.09628	3.6
415.08014	4.1
416.09149	1.6
417.05826	3.9
417.10019	3.0
418.06702	3.9
419.06616	1.6
419.11761	6.1
421.09125	5.5
429.10391	1.1
431.07236	6.4
432.08481	2.6
433.08929	10.7
434.06195	3.5
435.11038	1.7
436.11646	1.9
443.07343	1.4
445.08578	4.6
446.09772	3.7
447.10760	13.0
448.11636	6.7
449.08267	19.3
451.13867	2.5
458.10056	2.8
459.10696	1.2
461.08273	14.1
462.13531	4.4
463.09384	1.2
464.11017	9.5
465.11646	3.3
467.12939	2.9
473.12473	2.8
475.13937	1.1
476.10916	2.1
477.11569	2.2
479.13342	100.0
480.13971	5.1
489.08380	1.3
490.38727	1.1
491.13431	7.9
493.14697	2.9
497.18088	14.8
501.11777	1.8
509.14380	63.4
510.14584	3.6
519.12805	13.8
537.13794	1.8
625.16406	2.5
645.12958	1.3
646.12451	2.8
647.14526	7.7
653.16589	8.7
671.17456	33.2
672.17737	2.0
689.18561	38.4
690.17883	1.5
695.17609	6.3
713.18475	15.2
719.16876	3.0
737.18640	6.0
743.18073	1.1
755.19531	11.6
773.20483	11.3
791.21625	19.9
809.22552	17.1
810.23010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.0
57.79106	0.5
65.03938	1.1
67.05476	0.8
68.99769	1.9
69.03400	1.1
71.62284	0.9
71.75381	0.5
79.05472	0.7
81.03402	2.0
85.02901	8.7
91.05459	1.4
93.03409	0.5
94.04152	0.5
95.04925	2.4
97.02882	3.9
103.03941	0.5
107.04943	1.7
109.02852	1.8
109.06429	0.8
111.00739	0.8
119.04961	1.1
121.02847	3.2
121.06477	1.2
123.04427	4.3
124.05228	0.6
125.02341	1.9
127.03911	0.9
131.04910	0.9
135.04416	1.6
136.05150	0.7
137.02341	1.0
139.03888	0.5
139.07497	1.4
143.05009	0.5
147.04407	2.3
148.05188	0.7
149.02325	2.1
149.05977	2.7
151.03854	2.4
151.07520	4.0
153.01807	16.2
153.05435	1.6
155.04997	0.7
161.05945	1.1
163.03867	5.5
165.01823	18.3
165.05475	1.2
165.09106	0.5
167.03503	0.9
167.04924	0.6
167.06999	5.8
168.07785	0.9
171.02876	1.5
171.04329	1.2
173.06020	0.7
175.03870	1.4
177.01782	4.1
177.05434	4.1
178.06245	4.3
179.03395	2.7
179.06981	3.3
181.04953	0.7
181.06422	0.9
181.08603	3.1
183.02873	13.6
183.04431	1.3
185.05957	1.1
187.03918	1.4
189.01787	0.6
189.05392	0.7
191.03369	9.6
191.06946	2.4
192.07823	0.6
193.04942	2.1
194.09409	2.4
195.02863	19.9
195.06528	2.7
196.03279	0.6
197.05992	4.0
197.18636	0.6
199.03900	1.6
203.03381	2.2
205.04950	9.8
205.08524	0.6
206.05556	0.7
207.02901	2.5
209.04413	1.3
209.06178	0.6
211.03879	1.1
213.05489	3.1
215.03319	1.8
217.04912	1.7
219.02858	11.1
223.03955	0.9
224.04559	0.7
225.05424	3.6
227.03401	1.0
227.06999	2.2
228.04121	0.5
229.04938	2.5
231.02907	1.8
232.07265	1.1
233.04427	1.8
237.03645	0.7
241.04825	2.7
242.05763	0.9
243.02928	1.1
243.04092	0.7
243.06503	6.3
245.04416	9.4
249.03889	6.8
253.04837	1.4
255.02959	1.1
255.06451	0.7
257.04529	1.8
261.03894	6.3
269.04382	3.5
271.02478	1.8
272.03009	0.8
273.03946	0.8
279.05042	2.0
281.04483	2.0
282.05255	0.9
283.06012	0.7
285.03937	0.8
289.08551	0.7
295.06024	0.6
297.06351	3.8
309.03900	1.2
311.05493	0.7
312.06201	1.0
313.07120	0.6
315.07144	8.2
316.07196	0.8
317.08069	1.5
323.05688	0.9
326.89716	0.5
329.07721	0.6
331.05884	0.6
331.09601	0.8
333.07468	0.7
343.05884	1.1
344.09299	0.6
345.07556	1.8
347.05310	0.7
349.07059	0.9
355.06042	0.7
357.07492	1.1
359.05368	1.9
359.09335	1.4
360.06116	1.2
360.10101	1.5
361.06781	1.0
363.08612	0.9
365.06686	0.7
369.09888	0.8
371.05252	1.1
372.06229	0.8
373.07108	3.0
374.07993	1.1
375.08640	0.8
377.06134	0.7
383.05478	0.6
385.07175	0.9
386.04059	0.6
387.04572	3.2
387.09311	0.9
388.09445	6.0
389.06186	1.0
389.10443	1.1
391.08090	1.3
392.09079	0.8
399.05011	1.0
399.10559	1.7
401.06549	3.7
403.07755	1.1
403.11942	1.5
405.06015	2.1
406.10782	0.7
409.12762	0.9
413.06726	1.1
415.04266	12.5
415.08957	0.9
416.09122	3.5
417.05585	5.9
418.10474	1.9
419.07010	3.1
421.05463	1.6
421.12952	1.8
423.10703	0.7
427.08524	0.7
429.05743	6.7
430.06839	2.3
431.11282	2.3
432.08234	0.8
433.09195	1.7
434.10144	7.5
435.11026	1.1
443.07440	0.6
444.08466	1.4
445.09210	24.6
446.09619	2.3
447.11682	6.1
448.11530	2.0
449.12512	5.4
450.09317	3.2
451.10156	2.4
453.11981	1.6
455.03726	1.2
459.10706	6.7
462.09766	0.7
463.10165	3.8
465.11926	6.9
466.12332	1.0
467.13077	0.6
475.10287	0.9
477.11850	5.5
485.08295	1.2
493.11087	2.9
495.12814	100.0
496.13098	4.6
501.13635	1.4
521.10571	1.8
623.07977	1.0
629.12683	1.7
635.12476	0.6
641.12341	0.9
647.13818	4.1
653.12842	6.5
671.13873	28.5
672.13995	1.5
677.13312	0.8
683.13464	0.9
689.14905	32.0
690.14362	1.2
695.13617	5.4
701.13684	0.8
707.13043	1.1
713.14899	4.7
719.13641	3.8
725.14862	2.3
737.14917	11.4
743.15997	0.8
755.15784	13.4
756.15411	1.0
773.17041	14.9
774.17090	0.8
791.17993	7.5
792.17523	0.9
809.19348	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	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42058	5.7
57.03423	16.6
57.07066	6.3
60.17785	4.9
64.84566	6.7
67.05495	76.8
69.07052	23.5
71.04980	7.5
79.05484	60.7
81.07049	83.1
83.08617	8.3
91.05472	67.5
92.29431	5.4
93.07035	100.0
95.08590	63.1
97.10150	7.0
98.21451	16.9
105.07018	62.2
107.08566	48.0
109.10138	22.5
117.07039	18.2
119.08549	61.2
121.10144	32.1
129.07021	6.9
129.84972	6.3
131.08549	32.9
133.10117	47.3
135.08043	8.3
135.11681	27.2
143.08548	7.2
145.10091	21.8
147.11684	36.0
149.13261	20.2
157.10150	5.9
159.11690	17.1
161.13284	25.4
171.11734	8.6
172.09900	5.9
173.13216	12.7
175.14861	14.1
185.13138	13.1
215.18088	7.3
231.21165	7.3
241.19508	23.6
257.18793	8.5
259.20483	43.5
261.22220	9.4
302.71790	6.6
333.24234	42.7
335.25751	98.1
370.26419	6.6
569.02637	6.6
593.45032	11.2
611.46741	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43759	0.3
57.03373	0.3
59.46801	0.3
61.02856	0.5
67.05405	1.5
68.99695	1.1
69.03332	1.7
69.59975	2.7
70.77798	0.4
75.35650	0.4
79.05381	1.0
79.05801	0.3
81.03321	0.7
81.06939	1.7
85.02792	1.4
87.04375	0.5
91.05390	0.8
93.06943	0.9
95.04838	2.4
96.78790	0.3
97.02761	1.3
97.06452	0.5
103.05350	0.8
105.06912	0.6
107.04843	1.1
109.02808	0.5
109.06381	1.9
121.06478	2.3
123.04414	20.6
125.05868	0.4
127.03780	0.6
137.05971	2.4
147.04253	1.4
148.05052	0.5
149.05954	5.3
151.07446	0.9
153.05356	1.3
155.07004	1.9
159.07845	0.4
161.05875	0.4
162.06557	0.5
163.03816	0.6
165.05460	1.8
165.72382	0.4
167.07021	15.5
168.07607	0.5
177.05324	1.4
178.06215	1.8
179.06851	1.1
180.07594	0.7
181.08421	1.5
191.03302	0.9
191.06989	2.8
192.07616	1.2
193.04846	0.4
201.05272	0.4
205.04805	1.1
207.54440	0.4
213.05359	0.5
217.04953	0.5
221.07774	0.4
227.06931	0.6
229.04886	0.5
233.07867	0.4
241.04790	1.5
241.08577	0.6
243.06421	0.7
245.07951	0.6
255.06387	0.7
256.07242	0.4
257.08026	0.9
268.03571	0.9
269.04224	1.5
271.05884	0.5
272.06647	0.4
273.07462	0.4
283.02261	0.4
283.05798	0.8
284.06689	2.4
285.03912	0.5
285.07330	0.4
287.05328	1.1
287.08942	0.5
297.03708	0.9
300.06223	0.8
303.08182	0.6
311.05478	0.6
312.06223	21.9
313.03598	0.8
313.06754	1.5
315.04880	0.7
315.08496	1.0
328.05603	0.7
330.19983	0.4
343.04773	0.4
343.08136	4.4
344.08585	0.4
345.09525	1.1
359.09180	0.4
389.06448	0.8
391.08121	0.6
401.06058	0.5
403.07828	0.5
405.05676	0.7
417.05432	0.6
418.06790	0.6
419.07141	0.7
429.05786	1.0
430.06750	1.4
431.07697	0.8
433.04675	2.0
434.05893	0.9
435.10709	0.7
445.09628	3.3
447.06647	5.5
448.07404	0.7
449.07715	1.9
460.07727	0.8
461.08121	1.7
462.09183	0.8
463.10098	8.4
464.11459	0.5
475.10220	3.6
477.11685	7.0
478.12463	1.3
479.14291	1.9
481.14804	1.1
489.11588	0.9
490.12476	0.8
491.13284	0.8
493.10895	0.8
497.14426	4.5
507.12662	0.6
509.14395	22.8
510.14719	0.9
523.15930	15.7
524.16602	0.5
535.15430	0.5
585.34473	0.4
599.15393	0.7
630.16870	0.5
645.19574	100.0
646.19965	4.4
771.23468	0.5
789.23981	0.6
807.24811	20.6
808.25269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
60.99752	0.3
61.02895	0.5
65.03931	0.7
67.05493	2.0
68.99786	1.4
69.03418	2.2
69.07030	0.3
70.06575	0.5
71.04973	0.3
73.02901	0.5
79.05474	1.1
81.03397	1.1
81.07047	1.7
83.04955	0.4
84.84869	0.3
85.02895	1.7
91.05482	1.5
93.07034	1.3
95.04966	2.1
95.08573	0.5
97.02890	1.7
97.06525	0.4
99.04440	0.3
103.05462	0.3
105.03417	0.3
105.07029	0.6
107.04945	1.0
109.02880	0.4
109.06500	2.8
111.04429	0.4
111.98658	0.3
117.07011	0.4
119.08573	0.4
121.02814	0.5
121.06496	2.4
121.10091	0.3
123.04411	14.7
124.03938	0.5
127.03976	0.6
131.04889	0.4
135.04437	0.8
135.11722	0.3
136.05203	0.5
137.02354	1.0
137.05923	2.7
137.06697	0.3
139.07539	0.4
145.02875	0.6
147.04376	1.3
148.05142	0.4
149.05948	4.5
151.03871	0.3
151.07539	1.0
153.01852	0.7
153.05443	1.4
155.07021	1.3
156.42004	0.3
161.05965	0.9
163.03889	1.4
165.05423	1.4
167.07018	16.1
168.07777	0.5
177.05473	2.7
178.02621	0.4
178.06224	3.0
179.03563	0.3
179.07088	1.1
180.07814	0.3
181.04955	0.4
181.08568	1.3
185.06029	0.5
187.03757	0.3
189.05495	0.3
190.06223	0.3
191.03369	0.8
191.07004	2.2
192.07784	1.4
193.04984	0.6
193.08540	0.3
194.09427	0.4
195.06474	0.3
199.03931	0.3
199.07669	0.3
201.05484	0.6
203.03430	0.3
205.04919	1.6
213.05484	1.2
215.03294	0.4
215.07083	0.4
216.04227	0.4
217.04977	0.4
217.08586	0.6
219.06578	0.4
227.03383	0.4
227.06993	0.4
228.04327	0.5
229.04996	0.9
229.08594	0.4
230.05630	0.5
231.06558	0.6
240.04147	0.5
241.04889	1.8
243.06538	0.8
244.03574	0.4
245.04556	0.3
245.08130	0.4
255.02872	2.9
255.06500	0.7
257.04425	1.1
257.08118	0.6
258.05310	0.7
259.06070	1.1
268.03702	0.6
269.04440	2.5
269.07300	0.4
271.06058	0.9
272.06891	0.8
273.03922	1.1
275.05435	0.4
281.04440	0.7
283.02460	0.9
283.06030	1.2
284.03439	0.3
284.06714	4.1
285.04001	1.5
285.07587	0.8
287.05548	3.1
287.08936	0.6
288.06149	0.4
297.03793	1.7
298.04718	0.8
299.05542	0.9
300.02740	0.5
300.06183	1.0
301.03317	0.4
303.05029	1.2
303.08514	0.4
309.03873	0.3
311.05585	0.8
312.06229	17.7
313.03467	0.6
313.06754	1.9
315.05008	16.3
315.08575	2.5
316.05432	1.2
327.05084	0.5
328.05893	1.1
329.06546	1.0
330.07294	7.7
331.07968	0.6
335.05392	0.3
339.05200	0.4
341.06561	0.7
343.08072	5.6
344.08911	1.2
345.09644	35.4
346.10056	1.3
347.09299	0.3
349.07346	0.4
361.07205	0.4
363.08688	0.4
373.07129	0.3
374.07449	0.4
375.08728	0.4
387.08868	0.4
389.06375	0.4
401.06442	0.3
402.07303	0.4
403.08383	0.5
405.05685	0.4
411.06866	0.4
416.08890	0.3
417.05594	0.5
419.06973	1.6
429.06091	0.7
430.06747	0.9
431.07394	0.7
433.05679	1.3
433.10138	0.4
435.11047	0.6
443.07794	0.6
445.09470	3.5
447.06622	3.5
448.07568	0.7
449.08087	1.8
459.11298	0.4
460.08069	0.8
461.08286	1.6
462.09378	0.7
463.10138	8.4
464.10971	0.8
465.11160	0.4
475.10092	3.4
476.10825	0.5
477.11728	7.0
478.12573	1.1
479.13379	1.1
481.14948	0.8
490.12558	0.5
491.13297	1.1
493.11441	0.8
494.12085	0.4
497.14450	4.3
507.13260	0.4
509.14340	18.8
510.14899	0.8
513.17468	0.8
517.11493	0.7
523.15912	13.5
524.16083	0.4
535.16290	0.4
563.11847	0.9
599.15381	0.5
622.54419	0.3
645.19598	100.0
646.20087	3.8
687.13184	1.5
789.23560	1.1
807.15027	2.9
808.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01835	0.8
68.99777	0.8
69.03406	0.8
69.30606	4.6
79.05460	0.4
85.02876	0.4
97.02872	0.7
100.59743	0.4
111.00824	0.5
127.11430	0.4
129.93587	0.5
135.04420	0.7
136.05197	0.4
137.02373	0.4
137.06027	0.4
139.07471	0.6
149.05983	1.8
151.03886	1.0
151.07539	1.5
153.01807	15.3
163.03911	1.8
165.01897	0.5
167.06953	2.3
168.07768	0.7
171.02991	0.4
177.05400	2.3
178.06229	2.1
179.03435	0.5
179.06995	1.0
181.08653	0.8
185.05945	0.4
191.03404	1.1
191.06944	0.7
194.09366	1.3
195.06462	3.3
197.06007	1.0
205.04944	3.9
213.05528	0.7
225.05446	1.0
227.03514	0.5
239.03328	0.4
241.04922	0.7
243.06543	1.5
245.04501	0.7
255.02826	0.5
269.04489	0.9
270.01559	0.6
271.02432	0.8
279.02896	0.5
281.04657	0.4
297.03830	0.7
303.05997	0.5
312.06238	0.7
313.03204	0.5
313.06818	0.5
315.06564	0.4
317.04514	0.6
319.06360	0.4
321.03912	0.6
331.05902	0.5
331.09561	0.6
332.06607	0.6
337.03574	0.4
345.08981	0.4
347.05548	0.7
347.09207	0.5
355.06107	0.5
358.08664	0.5
359.05194	0.7
360.06229	1.2
361.07181	0.5
371.05243	0.7
373.03116	0.8
374.07944	0.8
375.08713	1.4
377.06274	0.5
386.08060	0.4
387.04852	3.5
388.05762	1.3
390.11053	0.5
391.04309	1.0
393.05951	0.6
398.04364	0.5
399.05045	0.7
401.06668	1.2
402.07846	0.4
403.04352	0.9
403.18161	0.4
405.05838	0.8
409.12585	0.8
413.06586	0.7
415.04398	13.1
416.04492	0.8
416.09308	0.9
417.05780	2.6
418.10507	3.9
419.07532	0.6
421.09232	1.2
429.06226	1.5
430.06787	3.0
431.08145	2.4
432.08459	3.7
433.09439	1.1
434.10028	1.3
437.08517	0.5
445.09683	11.7
446.10028	4.0
447.10699	3.6
450.09418	10.4
451.10141	0.5
460.07996	1.2
463.09906	0.9
465.11755	1.6
475.10208	3.0
484.07898	0.6
493.11368	1.3
497.08575	0.6
515.09766	1.4
569.07001	1.1
581.10504	0.7
597.06641	4.6
599.11694	1.1
612.08490	0.8
627.11304	4.5
645.12305	100.0
646.12598	6.0
807.17950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.7
64.58641	0.4
65.77373	0.4
68.99800	0.5
69.03437	0.7
70.05592	0.7
70.05996	1.9
71.26348	0.4
81.03384	0.5
82.08893	0.4
85.02906	1.0
85.15395	0.4
97.02906	0.7
107.04948	0.6
127.03876	0.9
135.04369	0.5
137.02374	2.0
137.05959	3.3
137.11131	0.5
139.07565	0.7
147.04379	0.8
149.05974	0.6
151.07587	1.1
153.01825	7.1
161.05954	0.7
163.03835	1.0
165.01790	0.5
167.07016	2.3
177.05472	1.6
178.06238	1.7
179.07094	0.8
180.23100	0.4
181.05019	0.5
181.08522	0.4
191.03421	0.7
191.07063	1.0
193.08659	0.5
194.09393	0.8
195.06567	1.4
205.04964	1.7
239.03484	0.6
243.06586	1.4
255.02921	0.7
257.04343	0.8
268.03745	0.6
269.04520	1.2
271.02518	0.8
284.06766	0.5
297.04080	0.6
299.79245	0.4
303.05261	0.7
312.06183	2.8
313.07089	0.5
315.04721	2.6
316.05457	1.5
330.07385	0.6
345.09753	7.2
346.09946	4.0
347.09360	0.6
355.05887	0.4
357.09723	0.4
359.05286	0.7
360.06436	0.9
371.05548	0.5
375.08859	0.8
387.04999	1.3
388.05640	1.1
389.06680	0.5
391.04483	0.9
393.05737	0.5
398.03958	0.6
399.05124	0.5
401.06781	0.7
403.04559	0.9
404.08859	0.5
405.06009	1.1
415.04495	6.0
417.06122	1.8
418.10620	1.4
421.09766	0.6
430.07025	1.2
431.07904	1.3
432.08578	2.0
433.04959	0.6
445.09726	6.2
446.09863	1.5
447.03958	0.8
447.10858	2.1
449.08698	0.6
450.09412	5.1
451.10272	1.1
460.08005	0.7
463.10257	1.4
475.10446	0.8
477.08084	1.6
491.09695	0.9
493.11523	1.0
523.06757	0.6
541.08075	0.7
597.06543	5.0
599.10785	0.7
612.08276	0.6
627.11304	3.8
645.12317	100.0
646.12494	7.6
687.13745	1.0
789.15765	0.6
807.17303	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	807.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72647	0.3
61.02913	0.6
67.01846	0.6
68.99783	0.7
69.03419	0.7
70.38736	1.0
79.05473	0.5
83.01352	0.3
83.29742	0.3
85.02872	0.6
86.15568	0.3
91.05442	0.3
95.04947	0.5
97.02892	0.6
98.21561	0.3
107.04961	0.8
111.00816	0.6
116.36343	0.3
119.04935	0.4
122.05977	0.3
123.04449	0.5
125.05981	0.3
127.03909	0.6
133.02849	0.3
135.04420	0.6
137.02298	0.3
137.05963	0.4
147.04434	0.8
149.05968	1.7
151.03891	0.7
151.07564	1.1
153.01814	15.6
153.05528	0.3
161.05789	0.3
162.06702	0.3
162.65007	0.3
163.03928	1.2
167.03470	0.6
167.07036	3.0
175.03928	0.4
177.05478	2.4
178.06192	2.2
179.03409	0.6
179.07051	1.1
181.08630	0.7
185.06004	0.4
191.03355	0.8
191.07010	0.7
193.05052	0.4
193.08607	0.4
194.09387	0.6
195.06483	2.8
197.05948	0.6
201.05545	0.3
203.03487	0.5
205.04950	4.3
206.05836	0.5
213.05489	0.5
225.05493	0.7
227.03397	0.5
229.04968	0.7
239.03516	0.3
241.04997	0.7
243.02917	0.4
243.06482	2.0
244.79674	0.3
245.04459	0.6
251.03528	0.3
251.71062	0.3
253.04988	0.3
257.04431	0.9
257.08255	0.3
265.04916	0.4
269.04422	1.0
270.01678	0.8
271.02414	1.3
272.02997	0.3
279.02832	0.3
297.03946	1.0
302.04105	0.4
303.06012	0.4
305.04526	0.3
306.05106	0.3
311.05536	0.4
312.06326	0.9
315.05792	0.5
316.06738	0.3
317.04510	0.4
317.08307	0.3
318.05270	0.3
319.06058	0.7
321.03961	0.4
329.04306	0.4
331.06058	0.8
331.09613	0.4
332.06732	0.6
333.07645	0.4
334.04480	0.4
337.03491	0.3
343.06049	0.8
344.09235	0.3
345.07193	0.4
347.05475	0.7
347.09326	0.5
352.05328	0.3
357.03729	0.4
358.08459	0.6
359.05276	0.6
360.06458	1.2
371.05603	0.9
372.06393	0.7
374.04248	0.4
375.08890	1.6
377.06628	0.6
379.04510	0.4
383.05505	0.3
385.03445	0.6
386.07956	1.0
387.04846	3.4
387.08771	0.3
388.05786	1.3
389.06500	0.9
390.11157	0.7
391.04590	1.0
393.06042	0.6
398.04117	1.0
399.05206	0.4
401.02597	0.4
402.07880	0.4
403.04419	1.2
405.05975	1.2
407.04028	0.3
415.04437	11.1
415.09857	0.6
416.04739	0.8
416.09106	0.9
417.06003	3.3
418.10620	2.5
420.04315	0.5
421.09503	0.9
422.10126	0.5
429.06183	1.0
430.06720	2.1
431.08035	2.1
432.08353	3.0
433.09137	1.2
434.10028	1.0
436.07849	0.6
445.09564	9.4
446.10107	2.5
447.10788	2.7
449.08838	0.7
450.09409	8.0
451.09894	0.8
459.07431	0.5
460.08057	0.8
463.10077	0.8
465.11554	1.6
471.10840	0.4
475.10202	2.2
493.11148	0.9
515.09979	1.4
521.09619	0.3
523.06982	0.4
539.09863	0.3
553.11652	0.5
569.07446	0.9
595.08490	0.7
597.06689	3.6
599.11127	1.6
612.08685	0.6
615.07520	0.5
627.11267	4.5
645.12323	100.0
646.12555	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53120	1.1
57.03425	17.5
57.07042	1.7
59.04985	1.4
61.02907	2.3
61.40571	1.0
63.48820	1.0
65.03925	3.9
67.05493	71.9
69.03416	9.0
69.07057	30.0
70.86903	3.7
71.01343	1.4
71.04977	11.5
79.05479	62.6
80.04952	1.3
80.05821	1.8
81.03404	100.0
81.07045	71.3
83.04966	12.7
83.08607	33.0
85.02879	6.2
85.06512	3.7
87.04472	1.4
90.63434	1.1
91.05465	62.2
93.07027	56.4
95.04953	35.2
95.08588	30.0
97.02892	4.8
97.06521	21.1
97.10149	24.1
99.08083	3.9
101.06039	1.5
101.30965	1.3
103.05494	1.4
105.07018	42.6
107.04939	15.2
107.08576	43.1
109.02866	3.7
109.06505	12.6
109.10124	19.6
111.04431	3.6
111.08050	12.8
113.05965	1.6
115.05402	2.9
115.07556	1.4
117.06998	19.5
119.04951	1.8
119.08556	37.9
121.06517	9.1
121.10126	20.3
123.04426	3.8
123.08047	7.6
123.11694	4.6
125.09609	19.8
127.03905	3.9
128.06242	2.8
129.06979	18.8
130.07701	1.7
131.04912	2.3
131.08556	32.1
133.06458	6.2
133.10104	26.1
135.08044	7.6
135.11661	13.4
137.05965	2.2
137.09605	5.7
139.11107	1.7
141.06960	3.4
142.07742	4.9
143.08524	8.7
145.06480	4.6
145.10078	19.5
147.04375	2.4
147.08031	7.3
147.11656	18.5
149.09595	19.4
149.13243	7.5
151.11168	4.8
153.09085	3.5
155.08548	5.9
157.10121	16.1
159.08026	2.7
159.11664	13.6
161.09587	3.6
161.13214	4.5
161.89294	1.4
163.11147	10.7
165.12753	2.9
167.08563	1.3
169.10144	3.8
171.11612	8.0
173.09628	3.7
173.11813	2.5
173.13226	6.2
175.11156	12.2
177.12697	4.2
178.06271	2.6
179.14307	1.7
181.10121	3.0
181.12239	2.0
183.11642	3.4
185.09535	1.3
185.13243	5.5
187.11212	3.6
187.14655	1.4
189.11172	11.4
189.12689	1.8
191.10680	1.6
193.12202	30.1
195.13799	4.1
197.13184	3.4
199.14832	3.7
201.12769	1.5
205.12219	2.7
207.11679	1.6
207.13806	1.7
209.11502	1.5
211.11313	1.6
211.13248	3.4
217.15814	3.4
219.13979	1.7
225.14709	1.6
227.12692	19.8
229.14259	7.3
231.13591	1.4
235.13295	1.7
239.10434	1.5
239.18144	1.6
245.13766	3.5
249.14841	3.3
253.14255	3.2
255.15771	9.4
257.19064	6.3
259.13443	1.7
267.15878	93.7
268.16339	2.2
269.17419	24.5
270.17581	1.6
273.14844	1.5
273.18396	3.8
275.20007	28.2
291.19400	9.1
293.21063	3.9
297.21994	2.1
299.19952	3.7
301.14221	2.2
309.16870	1.7
309.20499	1.5
315.23135	2.8
331.22568	1.4
347.21994	1.9
349.23679	24.6
351.22717	2.6
355.22321	2.3
361.09128	6.1
365.23270	2.4
367.24609	3.6
369.24130	3.0
373.23901	1.8
385.23883	1.5
387.25381	2.2
403.24686	3.0
419.24399	2.0
421.25690	6.5
421.31064	1.8
427.28766	1.6
429.26260	2.1
431.29349	1.9
435.27252	2.5
437.24713	2.3
443.27747	10.8
447.27368	29.4
448.27771	2.0
449.30313	4.7
459.27151	3.1
461.28925	76.1
462.29419	3.6
463.10214	2.1
463.30841	1.9
467.31287	4.9
477.27884	2.3
479.29871	1.6
485.32367	1.9
493.31729	8.8
501.31784	4.3
523.34149	4.6
529.35437	1.5
541.35156	70.6
542.35284	4.8
559.36224	25.5
569.30646	2.2
573.37531	2.6
587.31165	1.8
591.38251	5.5
807.23425	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	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.4
57.07064	2.1
63.03692	1.5
65.03928	4.1
67.05493	55.1
67.05851	2.9
69.03407	3.1
69.07061	10.9
69.51529	1.7
70.00645	1.5
70.23887	5.1
71.04971	3.1
71.92188	1.3
79.05483	35.9
81.03400	4.2
81.07045	33.6
83.08612	5.7
85.06551	8.3
91.05462	31.7
93.07034	29.8
94.04252	1.4
95.04958	49.3
95.08588	23.6
97.06513	5.4
99.08103	1.6
103.05464	2.0
105.05399	1.3
105.07017	21.4
107.04935	6.7
107.08577	20.8
109.02828	1.7
109.06502	50.0
109.10129	8.0
111.08032	2.1
113.05994	22.7
115.05437	2.4
117.07001	11.7
119.08575	13.4
121.06497	5.0
121.10140	8.8
123.08068	4.1
123.11681	2.5
125.09591	2.8
127.03822	1.5
128.06216	2.0
129.06975	4.4
131.08551	14.2
133.06517	2.8
133.10104	9.9
135.08040	40.9
135.11629	7.9
136.76334	1.4
136.92982	1.7
137.09573	1.8
143.08553	6.7
145.10118	11.9
147.08046	4.5
147.11681	3.2
149.09625	5.8
149.13271	2.3
157.10130	5.3
159.08026	2.3
159.11710	5.7
161.09622	7.5
161.13261	2.4
163.11115	2.7
171.11621	2.5
173.13220	3.5
175.11139	3.0
175.14767	1.6
177.12730	2.3
183.11641	2.0
187.11182	2.2
195.11850	1.5
195.13727	1.6
199.14803	3.7
201.12654	2.8
214.49112	1.4
217.15903	11.8
237.16383	1.8
245.18987	2.7
255.17380	2.1
264.14359	1.6
273.18448	30.6
275.20111	2.1
291.19492	100.0
292.19937	2.2
307.97522	1.3
335.25742	31.1
347.22131	6.1
365.23209	12.8
607.43549	10.2
625.44513	44.4
626.44977	2.1
720.15619	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	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03167	1.9
57.03431	23.9
57.07061	1.8
65.03932	7.2
66.06033	1.2
67.05495	77.4
69.03418	3.9
69.07060	13.5
71.04979	2.8
71.58115	1.3
71.58521	1.7
78.64194	1.0
79.05480	46.6
81.03390	3.9
81.07046	53.4
83.04951	3.7
83.08607	7.8
85.06532	13.0
85.71592	1.2
91.05468	36.9
93.07034	42.9
95.01328	1.1
95.04954	59.8
95.08590	33.7
97.06506	6.3
97.10147	1.9
99.08106	1.9
100.65289	1.1
105.06358	1.9
105.07022	29.0
107.04935	11.7
107.08577	23.1
109.06502	66.5
109.10129	13.3
111.08052	3.3
111.34649	1.2
113.05987	27.4
117.07010	14.6
119.08559	16.4
121.06501	6.6
121.10129	15.1
123.08036	4.5
123.11700	2.0
125.09602	2.1
128.06227	1.5
129.06975	8.5
129.24886	1.2
131.08548	19.4
133.06458	3.1
133.10104	8.8
135.08028	43.7
135.11676	10.7
137.05885	1.3
137.09557	2.0
141.06932	1.6
143.08521	8.9
145.06445	1.3
145.10098	13.0
147.08011	6.0
147.11638	5.5
149.09587	4.9
149.13225	3.8
151.11162	2.0
155.08588	1.7
157.10143	7.0
159.08011	3.6
159.11658	6.8
161.09587	8.9
161.13232	3.6
163.11130	4.8
169.10117	1.8
171.11626	4.0
173.09555	2.6
173.13216	5.1
175.14885	1.6
177.12755	2.3
181.10091	1.8
183.11711	2.1
183.27124	1.3
185.09470	1.9
185.13248	2.9
187.11209	2.0
195.13780	1.8
199.11090	1.9
199.14801	3.5
201.12723	1.7
217.15858	10.5
227.17888	1.3
233.15257	2.2
237.16304	1.7
255.17403	3.0
261.22168	1.4
273.18466	36.3
273.21466	1.7
275.20163	1.2
291.19501	100.0
292.19745	2.0
298.08340	1.6
309.20544	2.5
335.25739	84.7
336.25989	2.9
347.22076	10.2
365.23157	18.2
567.40540	3.4
607.43433	13.1
625.44525	63.5
626.44348	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	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.2
57.07056	6.3
59.72517	2.2
61.02909	7.6
65.03930	4.7
67.05496	90.1
67.58624	2.1
68.51192	2.0
68.86658	2.1
69.03406	9.1
69.07054	37.5
69.20852	1.9
70.66163	7.9
71.04980	10.1
71.08619	2.3
73.02893	4.0
77.39665	2.1
77.50322	1.9
79.05029	4.5
79.05481	73.8
80.05804	3.2
81.03409	41.7
81.07047	100.0
82.03735	3.7
82.07373	6.7
83.04951	12.3
83.08607	24.1
85.02881	9.0
85.06527	7.7
91.05464	80.0
92.05791	5.8
93.06438	3.6
93.07028	69.2
94.07334	3.4
95.04964	19.2
95.08010	4.0
95.08594	57.3
96.08904	3.9
97.02861	10.8
97.06519	12.4
97.10161	11.7
99.04444	3.4
99.08064	4.2
103.05482	3.0
105.03335	2.3
105.04504	2.9
105.07013	79.4
106.07355	4.8
107.04922	11.6
107.08575	48.9
108.08928	3.7
109.02850	4.0
109.06511	13.5
109.10136	39.0
110.10485	5.6
111.04408	4.0
111.08067	7.4
115.05404	4.0
117.07008	23.2
119.04897	3.3
119.07751	4.9
119.08562	60.4
121.06458	6.1
121.10107	27.9
123.08068	11.5
123.11691	8.1
125.09591	8.5
127.03917	2.9
128.06183	6.9
129.05521	2.3
129.06985	17.3
130.07803	2.9
131.08553	40.1
133.06528	3.1
133.10124	49.5
134.10443	6.2
135.08029	7.8
135.11673	16.0
137.09596	5.6
139.11130	2.7
141.06975	6.9
142.07721	3.9
143.08548	17.1
145.10104	34.7
147.08047	5.3
147.11670	28.8
149.09561	8.7
149.13240	9.9
151.11177	11.9
153.07056	2.8
155.08517	11.7
157.10133	27.6
159.08014	4.1
159.11671	23.0
161.09583	7.5
161.13213	15.2
163.11128	6.8
163.14748	2.8
165.12772	4.7
167.08522	4.6
169.10123	12.3
171.11664	16.6
173.09584	5.1
173.11784	4.2
173.13228	14.2
175.11142	6.3
175.14735	4.9
177.12669	3.2
181.10107	6.9
183.11633	14.3
185.13167	11.3
187.14796	6.7
193.10294	3.7
193.12228	10.9
195.11694	9.2
196.69922	3.1
197.13210	10.8
199.11160	3.0
199.14867	7.5
201.16350	3.7
207.11656	2.9
209.13237	7.3
211.14845	7.2
213.16342	2.8
221.13144	4.5
223.14879	4.7
225.16318	3.5
229.14372	5.6
239.17918	4.2
241.19444	9.8
253.14259	17.4
254.14610	14.2
257.18936	6.9
259.20541	18.3
261.22195	2.9
267.15900	25.5
268.16269	12.0
269.17386	2.6
273.18478	10.9
274.18692	3.5
275.20056	30.6
276.20367	3.5
277.21561	4.0
287.19876	4.6
291.19464	6.4
293.21014	7.1
299.23676	2.8
299.75333	2.2
301.21570	3.5
313.21655	3.6
315.23215	4.0
321.22308	2.7
333.24246	19.1
335.25729	3.1
347.22379	2.4
349.23877	13.7
365.23209	7.2
366.23401	5.6
367.25012	12.4
421.25500	2.7
421.30582	3.5
446.25626	4.4
463.26797	4.9
464.27200	7.2
497.36578	3.7
499.34167	3.4
513.35693	7.6
515.37372	23.6
525.35510	3.6
527.37152	9.4
533.39661	6.9
536.14215	2.1
540.33850	6.4
543.36469	8.4
545.37939	3.4
551.40784	6.6
557.35266	5.0
558.35193	23.0
559.35486	3.4
607.34552	1.6
607.43561	31.7
625.44537	44.1
626.44690	4.2
643.45642	19.1
733.45764	2.6
751.47229	2.4
761.95630	2.3
786.82269	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	805.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03168	1.5
57.03426	21.3
57.07054	1.8
65.03926	5.4
67.05494	74.1
69.03416	2.1
69.07057	12.0
69.30515	13.5
71.04965	3.7
77.02630	1.1
79.05029	2.1
79.05482	43.7
81.03382	5.3
81.07044	50.4
83.04954	4.4
83.08607	7.4
85.02914	1.7
85.06527	10.8
91.05464	35.9
93.07029	42.6
95.04953	55.7
95.08590	35.3
95.09199	1.7
97.06506	6.9
97.10146	3.8
103.05431	1.4
105.04479	1.2
105.07010	27.3
107.04932	9.5
107.08579	23.6
107.89775	1.1
109.06504	55.3
109.10123	10.4
111.08037	2.0
113.05992	27.3
115.05436	1.9
117.06997	13.7
119.08568	16.4
121.06499	5.9
121.10115	14.9
123.08051	5.4
123.11679	3.1
125.09644	2.1
128.06204	3.2
129.06981	7.6
131.08549	19.5
133.06465	2.4
133.10133	8.8
135.08040	40.3
135.11671	12.2
137.05972	1.1
137.09592	2.6
141.06931	1.3
142.07620	1.2
143.08525	8.0
145.10085	12.9
147.08011	6.1
147.11624	3.8
149.09550	5.8
149.13228	4.1
155.08582	1.7
157.10126	5.8
159.08025	4.3
159.11638	5.8
159.17790	1.3
161.09608	6.9
161.13220	3.3
163.11150	3.4
163.14775	1.9
165.12666	1.1
169.10130	1.6
171.11642	4.3
173.13213	4.3
175.11140	2.6
177.12709	2.7
181.10074	1.9
183.11668	1.9
185.13187	2.4
187.11021	1.5
187.14737	1.8
195.11806	1.2
199.11174	1.4
199.14775	2.4
201.12695	2.1
205.12347	1.6
217.15834	11.6
227.17706	1.6
230.54997	1.1
233.15340	2.3
235.28175	1.1
245.19043	2.6
255.17468	2.4
261.22095	2.2
273.18442	40.2
274.18951	1.3
275.20023	1.4
291.19498	100.0
292.19873	1.7
309.20428	2.2
335.25745	88.9
336.26126	3.0
347.22049	11.3
365.23120	17.6
567.40216	2.5
607.43494	12.8
625.44537	56.8
626.44434	3.5
838.92230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.0
57.07062	5.6
67.05497	28.9
69.03404	5.5
69.07047	21.3
70.06589	2.8
71.01345	15.0
71.60426	3.5
79.05490	18.0
81.03409	11.9
81.07050	47.5
83.08604	10.9
85.02887	4.3
91.05469	26.3
92.05765	2.8
93.07035	36.0
94.07324	2.4
95.04948	10.3
95.08592	59.9
97.02881	18.4
97.06567	4.7
97.10148	6.7
103.05463	2.6
105.07022	38.6
107.04933	6.8
107.08588	48.6
109.02853	3.9
109.06525	3.0
109.10146	52.1
115.03898	4.5
117.06996	8.3
119.08565	40.4
121.06436	3.0
121.10124	44.9
123.04404	27.2
123.08057	2.9
123.11685	24.8
127.03899	26.7
129.06998	6.3
131.04924	7.5
131.08562	11.4
132.08839	3.4
133.06488	10.9
133.09158	4.2
133.10109	35.1
135.11653	28.1
137.05914	3.7
137.13251	6.9
143.08514	2.7
145.10074	14.3
147.04338	4.9
147.08063	3.3
147.11681	30.9
149.02306	7.7
149.05966	7.7
149.13237	20.0
157.06467	2.5
157.10104	3.1
159.11676	12.4
159.68597	2.7
161.05981	5.0
161.13240	34.7
163.03865	5.5
163.14819	10.4
164.57767	2.7
165.09145	3.8
165.12743	2.6
167.07019	6.7
171.11673	2.8
173.05997	3.6
173.13235	7.5
175.14787	14.5
176.04791	2.5
177.05446	100.0
177.16360	15.7
178.05997	3.5
185.05843	3.1
187.03870	2.5
187.14807	8.4
189.16353	25.5
191.03383	3.2
191.06917	12.8
191.17921	92.8
194.26089	2.5
201.05417	5.2
201.16364	11.3
203.03423	2.8
203.17920	32.9
205.19476	6.3
213.16481	3.0
215.17921	10.6
217.05045	3.7
217.19475	86.0
219.06424	13.2
229.04944	19.4
229.19576	10.6
231.21016	8.0
235.20576	7.9
243.21094	5.7
245.08084	3.8
245.22710	4.7
247.05988	74.8
257.22797	3.1
265.07037	10.3
267.15903	8.3
273.07578	7.6
273.18497	4.3
275.05588	3.4
289.07153	5.5
293.06638	3.7
299.05411	6.5
315.04889	5.3
317.06503	45.6
335.07507	29.1
345.05972	4.9
345.09631	9.9
353.32147	5.4
363.07010	22.7
381.07980	6.9
407.36743	35.6
408.36655	2.5
425.37830	6.8
488.79544	2.7
540.33588	5.9
643.10107	4.0
693.31805	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.0
57.07062	5.6
67.05497	28.9
69.03404	5.5
69.07047	21.3
70.06589	2.8
71.01345	15.0
71.60426	3.5
79.05490	18.0
81.03409	11.9
81.07050	47.5
83.08604	10.9
85.02887	4.3
91.05469	26.3
92.05765	2.8
93.07035	36.0
94.07324	2.4
95.04948	10.3
95.08592	59.9
97.02881	18.4
97.06567	4.7
97.10148	6.7
103.05463	2.6
105.07022	38.6
107.04933	6.8
107.08588	48.6
109.02853	3.9
109.06525	3.0
109.10146	52.1
115.03898	4.5
117.06996	8.3
119.08565	40.4
121.06436	3.0
121.10124	44.9
123.04404	27.2
123.08057	2.9
123.11685	24.8
127.03899	26.7
129.06998	6.3
131.04924	7.5
131.08562	11.4
132.08839	3.4
133.06488	10.9
133.09158	4.2
133.10109	35.1
135.11653	28.1
137.05914	3.7
137.13251	6.9
143.08514	2.7
145.10074	14.3
147.04338	4.9
147.08063	3.3
147.11681	30.9
149.02306	7.7
149.05966	7.7
149.13237	20.0
157.06467	2.5
157.10104	3.1
159.11676	12.4
159.68597	2.7
161.05981	5.0
161.13240	34.7
163.03865	5.5
163.14819	10.4
164.57767	2.7
165.09145	3.8
165.12743	2.6
167.07019	6.7
171.11673	2.8
173.05997	3.6
173.13235	7.5
175.14787	14.5
176.04791	2.5
177.05446	100.0
177.16360	15.7
178.05997	3.5
185.05843	3.1
187.03870	2.5
187.14807	8.4
189.16353	25.5
191.03383	3.2
191.06917	12.8
191.17921	92.8
194.26089	2.5
201.05417	5.2
201.16364	11.3
203.03423	2.8
203.17920	32.9
205.19476	6.3
213.16481	3.0
215.17921	10.6
217.05045	3.7
217.19475	86.0
219.06424	13.2
229.04944	19.4
229.19576	10.6
231.21016	8.0
235.20576	7.9
243.21094	5.7
245.08084	3.8
245.22710	4.7
247.05988	74.8
257.22797	3.1
265.07037	10.3
267.15903	8.3
273.07578	7.6
273.18497	4.3
275.05588	3.4
289.07153	5.5
293.06638	3.7
299.05411	6.5
315.04889	5.3
317.06503	45.6
335.07507	29.1
345.05972	4.9
345.09631	9.9
353.32147	5.4
363.07010	22.7
381.07980	6.9
407.36743	35.6
408.36655	2.5
425.37830	6.8
488.79544	2.7
540.33588	5.9
643.10107	4.0
693.31805	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	804.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	9.1
58.95184	0.9
59.05003	1.3
60.04794	0.8
61.11844	0.8
65.03935	2.2
67.05494	32.1
68.05808	0.9
69.03414	7.9
69.06696	1.1
69.07059	20.5
71.04982	4.3
71.60633	1.3
79.05483	25.8
81.03404	57.4
81.07045	25.9
83.04975	6.8
83.08607	16.5
85.02893	4.4
85.06522	1.2
87.04478	1.0
91.05466	21.7
92.05798	1.0
92.27917	0.8
93.07030	20.1
95.01327	0.9
95.04955	21.3
95.08589	13.5
97.02876	11.6
97.06547	4.8
97.10165	12.2
99.47762	0.8
101.09655	1.2
105.03368	1.0
105.07010	19.3
107.04937	10.7
107.08578	13.0
109.06507	5.7
109.10123	8.4
111.04456	1.7
111.08049	4.4
115.05469	1.4
117.07010	6.4
119.04928	1.7
119.08562	15.6
121.06483	5.7
121.10118	8.1
123.08041	3.7
123.11692	1.4
125.09600	9.8
128.06253	1.1
129.05472	1.9
129.06978	8.4
131.08543	12.3
133.06494	5.9
133.10097	9.3
134.07265	1.0
135.08012	4.6
135.11684	1.5
137.09616	2.5
141.06967	0.9
142.07730	2.1
143.08540	3.9
145.06445	1.0
145.10117	5.4
147.08058	6.3
147.11678	5.1
149.05881	0.8
149.09592	4.9
149.13246	2.3
151.11140	1.3
153.09071	1.6
157.06441	1.1
157.10104	6.6
159.08182	0.9
159.11671	3.1
161.09619	2.6
161.13342	1.4
163.11166	2.2
165.12744	1.4
169.10077	1.2
171.11720	2.4
175.11185	7.7
177.12714	1.6
185.13203	1.5
187.11165	1.0
187.14758	1.4
189.11176	4.2
193.12230	15.7
193.13832	1.7
205.12167	2.6
211.13266	1.0
219.13811	4.8
223.13258	14.7
227.12689	7.8
227.14417	0.9
235.13083	1.0
249.14853	3.4
253.14375	3.3
255.17308	1.0
267.15872	74.5
268.16391	1.5
273.18460	8.7
275.19858	1.6
283.15558	1.2
286.28311	1.0
291.19498	73.6
313.21606	2.0
314.16644	0.9
345.09680	1.3
347.22076	1.3
365.23175	45.7
366.23682	1.9
385.23593	1.5
389.23291	1.3
419.24481	1.0
445.25656	4.3
459.27264	6.1
463.26666	2.2
477.28424	4.9
483.30957	1.9
529.34839	1.4
539.33362	5.2
547.89423	1.0
557.34674	100.0
558.34796	6.2
575.35657	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	805.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.6
62.99836	0.5
65.03897	0.7
67.05505	1.4
69.03401	1.2
71.65894	0.9
71.66261	0.6
79.05475	2.2
80.05010	0.8
81.03418	1.6
81.07063	1.1
82.06599	1.0
85.02887	1.3
89.03873	0.7
91.05466	2.3
93.07020	1.9
94.06562	4.7
95.04967	0.9
95.07365	0.8
96.08109	3.7
97.02858	1.5
97.06528	1.5
103.05413	0.9
105.07011	1.1
106.06599	0.7
107.04941	1.1
107.08546	0.7
108.04461	1.8
108.08107	7.1
109.10151	0.9
110.09669	6.3
116.04968	0.9
119.04905	0.9
119.08540	1.4
120.04457	2.9
120.08075	4.5
122.06026	2.5
124.07566	3.5
134.05995	1.9
135.11644	0.6
136.07573	6.3
137.05936	1.6
138.09129	7.8
138.60178	0.6
144.04457	2.7
145.02838	1.1
146.05956	4.2
147.04337	1.4
148.07550	1.9
151.07530	0.7
152.07014	1.6
160.00204	0.6
160.03949	2.6
162.05499	2.6
164.07048	1.7
166.08618	9.1
167.07039	1.4
172.03893	14.8
174.05473	1.4
175.03917	0.6
176.07098	3.1
177.05429	2.3
178.06096	0.8
179.07077	0.8
182.09618	0.8
183.32191	0.6
184.09966	1.1
189.38112	0.6
190.04973	12.1
193.08702	0.7
197.10732	2.2
199.12292	1.5
204.06534	23.0
204.08374	1.2
209.10764	0.6
210.09206	1.2
211.08609	2.1
211.12227	0.9
212.09360	1.4
213.10300	1.1
214.10966	0.6
223.08704	1.2
223.12364	1.0
225.10216	6.7
226.10893	1.1
227.11771	11.2
232.72629	0.6
236.09409	1.4
237.10172	2.5
238.11047	1.1
239.11729	3.0
241.09654	0.9
241.13458	1.2
243.11368	1.2
249.10393	1.1
251.08228	0.7
251.11794	1.9
253.09706	3.3
255.11282	1.3
263.08197	1.0
264.08804	1.7
265.09677	1.8
267.11337	2.5
269.12811	13.9
271.10739	7.3
273.12238	4.0
277.09735	1.0
279.11145	3.0
281.09152	0.6
283.10742	3.4
284.11609	3.4
285.12326	4.4
287.05569	1.0
287.13873	14.8
297.12360	7.1
299.13953	4.6
302.13037	0.9
307.10770	1.3
309.12170	0.6
313.12622	1.0
314.13000	1.1
315.04999	2.6
315.13724	1.4
316.11047	1.0
316.14572	2.3
317.15475	0.7
321.12094	0.9
323.10147	5.2
324.10971	0.9
325.11789	17.0
326.16522	1.1
327.13535	2.2
327.17239	1.5
328.10883	3.0
328.14548	2.1
329.15173	1.4
330.07462	1.4
330.12466	1.2
330.16089	1.3
331.16736	1.3
341.11417	1.2
342.12421	4.9
342.15854	0.8
343.12973	6.6
345.09650	6.5
355.13113	1.3
356.13770	4.4
357.14441	9.8
358.15402	3.8
367.12869	0.7
370.11578	0.8
370.15607	3.8
371.16446	1.5
372.17212	0.8
378.18106	1.8
380.14166	0.8
382.11966	2.5
383.12650	2.4
384.13260	3.4
385.14066	2.2
386.14771	2.0
386.18750	2.5
390.18103	1.7
394.15579	0.7
398.14929	15.2
399.15738	23.4
400.16470	2.3
401.16797	0.9
402.13831	0.7
404.15924	5.6
412.16568	2.7
414.18210	2.6
416.15976	12.7
417.16174	1.0
418.17987	0.8
422.16971	1.4
428.16052	2.7
430.17511	2.4
440.15955	5.3
446.17078	8.7
448.18478	1.1
458.17004	22.1
459.17371	1.5
460.18692	1.0
469.16168	0.7
478.19806	2.0
490.19632	7.7
541.25153	0.7
565.24377	0.8
567.25879	1.5
569.23761	4.4
583.25330	1.1
590.21051	0.8
593.23865	3.9
602.20996	0.9
608.21924	1.0
611.24890	100.0
612.25189	6.1
620.22211	3.4
643.10938	1.3
643.27484	13.3
755.28674	1.9
773.29462	3.2
787.23846	0.9
798.10468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.7
57.07079	3.9
59.04984	4.1
61.02911	9.9
65.03928	8.1
67.05497	95.0
69.03422	23.6
69.07057	50.7
71.04978	12.1
71.60411	5.7
73.02924	6.0
75.13519	3.3
77.34886	3.9
79.05480	84.5
81.03409	43.7
81.07049	100.0
83.04977	13.0
83.08613	33.0
85.02901	18.6
85.06535	5.0
91.04929	7.3
91.05466	88.9
91.06042	4.5
93.07030	84.0
95.04954	30.6
95.08596	64.4
97.02866	17.1
97.06522	30.0
97.10155	32.2
97.96976	3.3
99.08095	4.0
101.02339	3.7
103.05384	4.5
105.07021	83.5
107.04923	21.1
107.08589	50.9
109.02828	6.4
109.06486	17.8
109.10140	31.7
111.04404	3.6
111.08048	6.3
115.05461	5.7
117.07006	35.2
118.10860	3.4
119.08568	73.1
121.06473	12.1
121.10126	32.7
123.08040	12.8
123.11684	7.8
125.09647	22.6
127.03934	11.9
128.06226	5.4
129.06981	21.8
131.08543	56.4
133.06473	8.8
133.10114	48.9
135.08049	13.9
135.11667	20.6
137.05934	4.1
137.09634	9.1
141.06979	10.0
142.07773	6.8
143.08530	24.4
144.09349	3.6
145.06450	4.7
145.10103	47.5
147.08055	8.6
147.11662	32.6
149.09639	16.6
149.13295	3.9
151.11151	5.0
153.12688	4.1
154.07668	5.5
155.08556	12.7
157.10095	18.2
159.08046	10.7
159.11674	27.5
161.09578	5.5
161.13252	18.2
163.11189	9.3
167.08595	7.6
169.10121	16.3
169.12161	3.3
171.10440	4.6
171.11633	23.1
173.09515	7.7
173.11914	5.8
173.13199	19.7
175.11160	11.4
175.14792	6.9
175.88618	3.6
177.09294	3.1
181.10072	8.3
183.11708	15.8
185.13248	13.4
187.11177	6.5
187.14841	9.8
189.11168	11.5
189.12740	5.9
193.12234	7.2
195.11713	7.7
197.09538	3.9
197.13286	8.3
199.14844	9.1
201.12601	3.6
223.13260	6.9
227.12720	20.5
239.17982	5.9
241.19507	10.5
254.62300	4.0
257.18875	17.4
259.20566	16.1
261.22064	5.0
267.15887	10.3
271.20459	4.6
273.18469	11.6
275.13306	3.7
275.20056	48.9
283.20419	4.1
289.17932	7.7
291.19522	41.2
293.21262	3.9
307.20264	4.4
313.21790	3.9
315.23227	5.0
325.21631	5.7
333.24237	17.7
335.25919	10.5
336.25836	4.1
347.22147	4.5
349.23712	18.8
365.23245	16.0
469.33099	3.8
513.36121	5.9
525.35614	12.3
529.35217	6.7
541.43036	4.1
543.36761	31.1
545.38123	4.3
549.39514	3.6
585.38129	5.2
605.41699	9.0
623.43011	56.7
641.43732	27.9
642.44702	5.9
674.71942	5.8
687.40723	7.4
749.46246	7.0
767.46802	4.2
785.48096	8.9
803.50293	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	16.6
57.07056	4.9
58.97399	3.1
61.02913	9.3
65.03934	7.3
67.05148	6.8
67.05497	89.6
69.03420	20.2
69.07058	47.9
70.25309	14.5
71.04990	12.5
73.02913	7.1
79.05485	80.5
81.03401	39.6
81.07050	94.4
83.04976	20.5
83.08601	35.0
85.02911	16.5
85.06522	10.0
91.05474	86.4
91.06049	3.7
92.86469	3.1
93.07031	90.5
95.04963	24.1
95.08601	53.4
97.02898	17.0
97.06524	23.7
97.10159	39.3
98.20802	4.0
99.04478	5.8
99.08134	5.1
100.11771	3.4
103.05441	8.0
105.07024	77.4
107.04961	15.1
107.08590	55.8
109.02883	7.8
109.06517	13.6
109.10146	30.1
111.04470	5.3
111.08100	10.3
115.05423	5.3
115.16334	3.4
117.07015	40.7
119.04955	4.7
119.08564	55.0
121.06493	11.7
121.10129	24.4
123.08070	12.3
123.11723	7.7
125.09612	33.0
127.03898	5.8
128.06229	7.8
129.07007	31.1
131.08560	50.7
133.06429	8.0
133.10120	42.7
135.08037	18.0
135.11696	20.4
137.09587	10.1
139.11180	6.1
139.38387	3.1
141.06990	13.6
142.07788	7.8
143.08554	27.0
145.06488	6.8
145.10104	40.9
147.08038	8.2
147.11696	34.3
149.09596	10.7
149.13274	11.3
151.11189	5.1
153.06927	3.3
153.09184	6.5
154.07784	3.2
155.08577	13.6
157.06424	3.5
157.10097	29.5
159.08064	7.6
159.11659	28.3
161.09628	9.2
161.13269	20.1
163.11150	8.2
165.06912	4.0
167.08562	11.7
168.09354	6.9
169.10078	17.6
171.08012	3.6
171.10211	7.1
171.11693	26.6
173.09622	5.5
173.13255	24.7
175.11134	4.0
175.14815	9.3
177.12706	5.4
179.08614	4.2
181.08748	3.6
181.10104	17.1
183.11697	12.9
185.13219	16.9
187.11177	9.1
187.14801	9.9
189.11229	22.3
189.12720	5.1
193.12254	9.2
195.11694	17.1
197.13228	10.6
199.14842	10.2
201.16429	4.6
205.10062	5.0
207.11732	9.3
209.13271	6.4
211.13243	9.5
211.15027	5.6
213.12775	3.8
221.13327	5.6
223.13205	6.3
227.12726	25.7
227.17958	4.1
233.13278	4.3
233.15385	3.6
235.14876	6.3
237.65378	3.5
239.17961	6.0
241.19519	10.8
243.21162	3.0
251.18018	4.3
257.18945	11.5
259.20486	25.4
267.15869	11.9
271.17068	3.6
273.18381	16.2
275.20099	14.9
279.21158	4.0
283.20526	4.6
285.22131	7.4
289.17972	9.5
291.19458	42.2
297.22153	5.4
299.23297	3.2
301.21692	6.2
307.14713	2.9
307.18832	3.3
311.20074	3.9
333.24319	24.2
335.25760	14.4
336.25894	4.7
347.22266	4.9
363.26718	8.2
365.23279	13.8
379.30029	5.2
381.27899	3.7
382.56641	3.6
397.31470	5.1
437.31046	5.1
476.04565	3.9
511.33948	10.3
513.36499	7.0
525.35895	11.3
529.35150	8.0
531.38098	7.2
543.36719	26.6
549.39392	4.0
587.40552	5.0
605.42249	18.9
623.42932	100.0
624.43341	3.7
627.37238	3.7
641.44019	41.0
767.46698	4.8
785.48236	11.3
803.49048	7.3
804.47113	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	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	35.4
57.07047	3.3
61.02916	6.5
65.03929	7.5
67.05496	100.0
68.05829	4.0
69.03416	9.9
69.07057	22.4
71.04987	9.4
73.02914	3.8
79.05481	73.8
79.05941	3.9
81.03410	18.6
81.07045	77.5
82.07365	3.5
83.00612	2.4
83.04963	11.3
83.08598	14.2
85.02879	9.9
85.06532	17.2
86.09721	2.3
91.03996	2.3
91.05468	81.4
92.05813	3.7
93.06444	3.5
93.07032	67.2
95.04955	64.1
95.08597	40.2
96.05257	2.8
97.02888	7.1
97.06531	12.4
97.10159	8.8
103.05439	3.0
105.07018	68.4
106.07356	2.1
107.04946	21.4
107.08578	46.1
109.06506	69.5
109.10132	23.2
110.06871	2.9
111.04401	2.2
111.08065	7.2
113.05994	45.4
115.05448	7.7
117.06998	36.0
118.07317	2.1
119.08563	46.1
121.06471	10.1
121.10120	18.3
123.08080	10.9
123.11683	3.7
125.09632	6.4
127.03914	3.0
128.06213	7.7
129.05534	2.3
129.06998	17.2
131.08543	43.1
133.06477	6.3
133.10115	36.3
135.08037	46.0
135.11673	18.2
136.08319	2.4
137.06023	2.1
137.09633	5.5
141.06967	7.1
142.07755	2.6
143.08549	19.2
145.06435	5.7
145.10095	37.2
147.08054	10.0
147.11658	18.6
149.09613	9.5
149.13263	8.5
154.07683	2.3
155.08557	8.7
157.10133	19.1
159.08058	6.2
159.11671	25.0
161.09595	12.1
161.13217	12.5
163.11165	12.0
167.08559	3.1
169.10109	12.6
171.11623	11.9
173.09663	2.6
173.11942	2.5
173.13208	13.1
175.11145	4.7
175.14833	9.7
177.12717	7.1
179.14244	3.5
181.10136	3.9
183.11720	7.1
185.09592	2.1
185.13245	9.0
187.11211	7.5
187.14813	4.0
189.12704	3.6
191.14267	2.7
193.10120	2.1
193.12323	2.2
195.11809	4.7
195.13734	3.2
197.13225	6.1
199.14795	7.2
201.12567	2.9
209.13388	2.1
211.14870	2.4
212.11852	2.1
213.12717	2.7
213.16345	2.8
217.15860	12.9
217.19427	2.2
223.14795	2.1
225.16321	2.7
229.14296	4.8
233.15396	2.7
237.16373	4.8
239.17784	2.5
241.14223	3.6
241.19527	8.6
255.17387	4.1
257.19064	6.1
259.20471	16.8
273.18445	29.0
274.18860	4.6
275.20007	9.3
277.21515	2.6
279.15921	15.9
283.15210	10.4
291.19476	77.2
292.19827	7.4
315.23318	3.1
326.96823	2.0
327.26624	4.9
333.24158	30.9
345.23691	2.6
347.22079	8.9
349.23715	7.5
365.23273	14.2
437.25339	4.2
531.37909	3.0
543.36688	2.6
549.39313	2.8
565.38586	4.4
605.42114	13.7
623.42981	77.2
624.43237	8.7
641.43878	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	803.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	1.8
57.03424	26.8
57.07058	4.0
59.04974	1.3
61.02909	10.9
63.15931	1.4
65.03926	8.2
67.05490	100.0
68.05842	1.4
69.03415	8.4
69.07053	26.5
70.31927	2.7
70.32314	2.6
71.04971	10.2
71.08596	1.6
73.02896	3.7
77.03910	1.4
79.05476	74.6
80.05808	1.2
81.03403	15.0
81.07039	72.9
83.04971	9.9
83.08611	12.8
85.02901	9.6
85.06522	18.7
87.04456	1.3
91.03927	4.0
91.05463	76.1
92.05788	1.9
93.07027	67.7
94.07367	2.3
95.01308	3.9
95.04950	67.5
95.08589	50.9
95.09201	2.4
96.08935	1.5
97.02871	9.4
97.06504	14.8
97.10160	6.3
98.21500	1.5
99.04412	2.3
99.08068	4.0
103.05414	3.1
105.04501	2.4
105.07010	69.9
106.07315	1.5
107.04938	22.3
107.08571	40.0
108.05287	1.5
109.02859	1.5
109.06498	63.3
109.10130	19.1
109.10804	2.4
111.08067	4.9
113.05985	46.9
113.09608	1.6
115.05450	5.6
116.06231	2.7
117.06997	43.8
119.04921	1.4
119.08556	47.7
120.08914	1.4
121.06499	9.2
121.10107	21.4
123.04399	2.7
123.08052	11.5
123.11691	3.7
125.09612	3.0
127.03882	1.6
128.06213	7.7
129.05475	1.7
129.06981	22.9
130.07777	3.7
131.04907	1.6
131.08543	58.9
133.06461	5.7
133.10101	31.9
135.08023	46.4
135.11673	21.9
136.08347	1.2
137.05931	2.1
137.09616	3.3
141.06955	10.0
142.07738	4.7
143.08530	25.7
144.09312	1.7
145.06450	10.2
145.10091	35.4
147.08023	8.5
147.11646	19.7
149.09613	9.2
149.13246	9.5
151.07391	1.2
151.11169	2.1
153.07043	1.4
154.07719	1.9
155.08540	8.6
156.09296	1.9
157.06464	1.6
157.10103	20.8
158.10617	1.6
159.08037	6.4
159.11652	29.9
161.09599	10.7
161.13226	13.0
163.11121	7.1
165.06984	2.0
165.09064	1.9
165.12747	2.7
167.08566	2.9
168.09244	2.4
169.10089	14.3
170.10863	1.3
171.11664	15.8
173.09578	3.7
173.11821	1.9
173.13228	14.0
175.11130	4.8
175.14777	7.2
177.12701	10.6
179.08546	2.0
179.14265	2.9
181.10098	6.5
183.08080	1.3
183.11694	8.1
185.09622	2.5
185.13232	8.1
187.11142	8.2
187.14796	6.1
189.11165	1.9
189.12747	3.2
189.16432	1.9
193.10130	2.2
195.11653	5.1
195.13733	2.4
197.13246	7.6
199.11165	3.9
199.14775	8.8
201.12727	3.8
201.16348	4.2
203.14256	1.6
205.10094	1.4
205.12285	2.4
207.11703	1.7
209.13292	2.9
211.14772	4.3
213.12756	1.3
213.16331	3.9
215.14345	1.9
215.17914	1.5
217.15778	11.7
217.19229	1.6
219.11649	1.7
219.13695	1.7
225.16437	2.0
227.17929	2.6
229.16051	2.3
231.21117	2.3
232.51845	1.5
233.15402	1.8
235.14713	2.3
235.16847	1.7
237.12717	1.6
237.16350	4.1
239.14195	1.9
239.17996	2.3
241.14301	4.9
241.19476	11.9
245.18988	2.7
255.17389	3.8
257.18994	3.5
259.17700	2.0
259.20490	18.2
263.17932	1.8
271.17041	1.3
273.18460	29.5
275.20071	5.8
277.21713	1.6
279.15878	22.9
280.16220	1.5
291.19464	68.5
292.19730	3.9
297.16736	3.2
305.96692	1.3
307.55450	1.3
311.19919	1.8
311.23322	1.6
315.23102	7.5
325.25183	3.2
327.26740	7.8
331.22690	1.6
333.24167	37.2
335.25897	1.4
347.22040	8.9
349.23706	1.6
353.25229	1.3
365.23120	14.3
513.36255	4.9
527.33807	1.3
531.38165	5.4
541.34589	1.5
543.36432	5.3
549.39288	4.8
551.36737	1.9
565.38928	4.7
567.40356	2.3
581.87653	1.4
595.43298	2.0
605.41937	17.5
606.41766	2.3
623.42950	91.6
624.43225	13.2
641.33398	1.7
641.43951	33.7
642.44348	3.2
694.74976	1.3
785.48004	3.1
803.49396	2.0
804.50342	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	801.243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71037	0.2
68.68354	0.3
69.03397	0.5
70.89586	0.4
85.02881	0.7
87.04478	0.5
97.02859	0.5
115.03902	0.2
133.04839	0.2
153.01808	1.4
163.03854	0.8
167.07037	0.4
170.02078	0.3
178.02692	0.3
178.06215	3.3
179.03380	0.4
204.04161	0.3
216.04231	0.9
217.04852	0.4
225.05116	0.2
227.03365	0.2
231.06499	0.9
241.04895	0.4
243.06531	0.4
244.03650	0.6
255.02878	5.5
259.05942	1.2
269.04401	1.8
281.04376	0.5
283.02359	1.2
283.06030	0.6
284.03152	0.6
284.06763	0.5
285.03687	0.3
287.05450	6.4
297.03928	1.3
298.04535	0.2
299.05466	1.1
300.02649	2.5
301.06970	0.5
302.07874	0.3
311.05386	0.3
312.06131	0.7
313.07047	0.9
315.04935	40.7
316.05396	0.7
329.06393	0.9
330.07285	18.0
331.07675	0.3
345.09628	100.0
346.09952	2.3
669.19958	0.4
725.45532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36042	0.1
63.79108	0.1
66.47573	0.1
69.03435	0.2
69.32748	1.0
69.33156	0.2
73.49184	0.1
74.04696	0.1
76.82310	0.1
85.02908	0.2
91.19512	0.1
97.02879	0.3
102.03916	0.1
103.56956	0.1
123.04424	0.4
126.03160	0.1
135.04453	0.2
137.02336	0.1
139.07535	0.1
153.01819	1.0
161.02344	0.2
163.03888	0.8
167.06982	0.7
170.02095	0.2
178.02611	0.4
178.06224	3.6
179.03351	0.3
183.02902	0.2
189.05441	0.2
189.90102	0.1
204.04164	0.3
216.04156	0.7
217.04953	0.4
228.04092	0.2
231.02855	0.1
231.06546	0.5
241.04843	0.5
243.06493	0.5
244.03662	0.6
245.04530	0.2
253.04951	0.1
255.02837	6.1
256.03220	0.2
257.04651	0.1
259.06024	1.5
269.04413	1.7
271.06021	0.2
272.03027	0.3
281.04410	0.3
283.02344	1.4
283.05957	0.5
284.03128	0.4
284.06723	0.4
286.04953	0.1
286.08243	0.1
287.05466	6.1
288.05872	0.2
289.10617	0.2
297.03922	1.7
298.04584	0.2
299.05319	1.0
300.02600	2.2
301.07047	0.3
311.05371	0.4
312.06256	0.9
313.06958	0.9
314.07651	0.2
315.04944	39.4
316.05276	1.4
317.10379	0.2
329.06448	0.8
330.07285	15.7
331.07599	0.4
345.09631	100.0
346.10016	4.1
507.15036	0.9
567.16418	0.1
612.03888	0.1
639.19043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48527	0.8
69.48939	0.3
82.25618	0.1
82.78739	0.1
85.02900	0.2
85.34765	0.1
91.05498	0.2
97.02882	0.4
107.04934	0.2
119.04928	0.2
123.04438	0.3
123.71300	0.1
126.03083	0.1
135.04401	0.2
137.02309	0.2
139.03845	0.1
145.02818	0.2
147.04387	0.3
149.05917	0.1
151.29051	0.1
153.01828	1.2
161.05945	0.2
163.03894	1.3
167.07013	0.7
170.02122	0.3
175.03879	0.4
177.05440	0.3
178.02634	0.5
178.06223	3.5
179.03403	0.2
183.02905	0.1
191.06982	0.1
203.03404	0.1
204.04120	0.4
205.05020	0.2
207.06453	0.6
213.05481	0.2
216.04160	0.9
217.04962	0.4
222.68712	0.1
227.03395	0.3
231.02904	0.3
231.06534	0.8
241.04846	0.6
243.06485	0.6
244.03651	0.7
245.04552	0.1
253.04965	0.1
255.02841	6.1
256.03339	0.3
257.04285	0.1
259.05972	1.4
269.04385	1.9
270.04858	0.1
271.06003	0.3
272.03125	0.3
281.04404	0.4
283.02347	1.4
283.05945	0.6
284.03101	0.4
284.06735	0.5
285.03946	0.3
285.07291	0.1
287.05450	8.1
288.05768	0.4
289.10297	0.2
297.03897	1.8
298.04810	0.2
299.05508	1.1
300.02594	2.6
301.03391	0.2
301.06958	0.4
302.07925	0.1
311.05420	0.4
312.06229	0.9
313.07108	1.0
314.04276	0.1
315.04935	39.0
316.05273	1.5
329.06482	0.9
330.07278	17.0
331.07687	0.7
345.09622	100.0
346.09967	3.8
400.11975	0.1
507.14587	0.7
789.28284	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	801.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
59.04991	0.4
61.28543	0.2
63.02377	0.2
67.05493	0.2
69.03420	10.6
69.61276	0.2
70.06584	0.3
71.01356	0.2
75.04464	0.2
79.05486	0.2
81.03402	0.4
81.07037	0.3
84.08154	0.2
85.02896	4.3
87.04455	2.7
89.03896	2.4
91.05479	0.5
95.04962	0.2
97.02892	3.4
97.06528	0.3
98.21490	0.3
99.04446	0.3
105.07046	0.2
107.04938	0.2
107.08556	0.2
109.02914	0.3
109.10198	0.2
115.03909	2.0
117.03363	8.8
119.04926	0.3
119.08616	0.2
127.03902	2.8
131.04941	0.2
133.04922	1.2
134.03638	0.8
135.04417	0.9
137.02364	0.2
137.05989	0.6
145.02827	33.9
146.03157	0.4
147.04391	0.6
149.05963	3.5
151.03888	0.2
153.01825	0.7
158.05998	0.2
162.03078	0.2
163.03870	0.9
167.07039	0.3
175.03915	0.2
177.05443	100.0
178.05811	1.7
179.07121	0.2
184.07159	0.3
186.05421	0.9
191.07133	0.2
192.33147	0.2
195.06503	5.5
205.04756	0.3
227.06946	0.2
229.04694	0.2
231.02716	0.3
231.06357	0.3
255.02744	0.3
261.07529	0.4
273.03815	0.4
273.07724	0.2
287.05362	0.5
299.05237	0.2
301.03372	1.6
301.06717	0.3
309.09427	0.2
315.05045	1.3
316.05627	1.0
321.05951	0.3
321.09674	5.7
327.08337	0.3
330.07080	0.5
331.08069	7.1
332.08170	0.2
339.10709	12.6
340.10825	0.3
345.09647	3.6
346.09821	0.2
361.09052	1.0
471.14749	0.7
554.63013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
61.13967	0.1
67.05476	0.2
68.99797	0.2
69.03411	0.3
70.06577	0.3
71.63980	0.1
72.08102	0.1
79.05471	0.1
79.54619	0.1
81.03402	0.3
81.07042	0.2
83.04933	0.1
84.08140	0.2
85.02876	0.3
91.05455	0.2
93.07004	0.2
93.95467	0.1
95.04970	0.2
97.02872	1.1
97.06557	0.1
105.03429	0.1
105.07034	0.2
107.94978	0.1
109.02883	0.1
115.05383	0.1
117.03347	0.3
119.04890	0.2
121.02853	0.1
123.04406	0.5
127.03890	0.3
134.03560	0.1
135.04387	0.3
137.02301	0.2
137.05949	0.6
139.03815	0.1
145.02823	1.0
145.05119	0.1
147.04404	0.6
149.02310	2.5
149.05971	0.2
151.03879	0.2
153.01799	9.6
153.05408	1.0
163.03888	1.5
164.04636	2.5
167.07014	0.4
170.02104	0.2
172.05121	0.1
175.03946	0.1
177.05428	1.7
178.06122	0.3
179.03383	0.3
184.07343	0.1
187.72763	0.1
189.05412	0.2
191.03398	0.1
200.04701	0.2
203.03319	0.7
205.04909	1.1
205.79578	0.1
216.04192	0.2
217.04910	0.4
227.03355	0.2
228.01891	0.2
228.04131	4.2
229.04590	0.2
231.02846	2.6
240.04065	0.3
241.04817	0.2
243.06470	0.3
244.03743	0.2
245.04358	0.8
255.02855	1.0
256.03607	3.8
257.04346	0.2
259.05844	0.2
269.04559	0.2
271.06003	2.3
273.03888	6.7
274.04175	0.2
275.09024	0.2
283.02252	0.7
283.06097	0.1
284.03101	2.5
285.03867	0.5
285.07272	0.1
287.05429	1.2
288.06247	0.2
291.08627	0.2
295.08054	0.4
297.03931	0.2
299.05469	3.6
300.02518	0.3
301.03381	30.0
302.03745	0.9
303.04968	0.2
303.08444	0.3
312.06183	0.2
313.06964	0.1
315.01285	0.3
315.04962	4.6
316.05722	13.4
317.06149	0.5
329.06512	0.2
330.07294	1.9
331.08054	100.0
332.08395	2.5
345.09628	12.1
346.10016	0.3
403.89194	0.1
493.13458	0.8
507.12759	0.2
646.99951	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	799.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
61.71239	0.2
63.02364	0.3
65.79374	0.2
67.05489	0.4
69.03420	8.8
69.48193	0.4
69.48587	1.5
75.04482	0.2
77.71072	0.2
79.05469	0.5
81.03403	0.8
81.07043	0.5
82.06570	0.2
85.02888	2.8
87.04452	1.9
89.03896	3.4
91.05476	0.8
93.07012	0.3
94.17757	0.2
95.04958	0.4
97.02878	2.7
97.06524	0.7
103.05459	0.3
105.06992	0.3
106.04135	0.2
107.08609	0.4
109.02898	0.4
109.10102	0.3
115.03902	1.6
117.03362	10.0
123.04377	0.2
127.03896	2.6
131.04872	0.3
133.04930	0.7
134.03612	0.9
135.04381	1.0
137.02330	0.3
137.06018	0.5
145.02824	36.7
146.03130	0.5
147.04388	0.3
149.05952	4.3
157.06470	0.2
161.05855	0.2
162.03064	0.3
163.03856	0.7
167.03418	0.3
167.07040	0.4
173.05914	0.3
174.06760	0.2
177.05441	100.0
178.05807	1.4
186.05447	1.2
191.06978	0.3
195.06497	5.6
195.08183	0.4
201.05537	0.4
211.07437	0.2
215.06949	0.4
227.07019	0.2
228.04053	0.3
229.14441	0.2
233.08098	0.4
239.03275	1.9
243.06493	0.6
253.04843	0.6
261.07605	0.8
265.04794	0.2
271.05984	1.5
281.04443	0.3
283.05722	0.2
284.03107	0.3
296.06543	0.3
299.05441	9.7
314.07800	4.9
321.09647	4.6
329.10147	21.2
330.10431	0.6
339.10706	8.6
340.11127	0.2
345.09518	0.8
412.66483	0.2
439.26425	0.4
602.26282	0.8
719.88440	0.3
799.27014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83392	0.4
57.03420	1.1
58.82560	0.4
59.22512	0.4
63.02362	0.5
65.03922	3.8
66.97703	0.4
67.05490	5.1
69.03422	3.7
69.07055	4.6
69.37141	4.9
71.04971	2.1
73.81271	0.5
78.67358	0.4
79.05495	3.3
81.03394	1.7
81.07047	5.7
83.04967	4.0
83.08605	1.1
85.02895	3.7
85.06528	0.6
86.09663	0.6
87.00803	1.6
89.03893	5.5
91.05467	4.5
93.03387	4.5
93.07037	4.4
95.04951	39.8
95.08579	2.0
97.02877	50.8
97.06502	2.4
98.03195	0.9
99.04469	2.9
103.05397	0.5
105.01856	0.9
105.07018	6.1
107.04929	0.8
107.08585	5.7
109.02853	1.5
109.06496	8.7
109.10152	3.6
111.04425	1.8
115.05453	1.3
117.03367	14.6
117.06986	1.9
119.08564	3.7
120.07953	0.5
121.02821	1.6
121.06468	1.3
121.10109	3.8
123.08028	1.6
123.11702	0.8
124.05131	0.7
125.02370	1.1
125.05956	2.3
127.03899	3.0
128.06181	0.8
129.05450	0.6
129.06989	4.7
131.04941	0.6
131.08549	5.1
133.02711	0.5
133.06400	0.4
133.10112	11.5
133.11050	0.4
134.03633	0.8
135.04382	1.4
135.08028	13.5
135.11678	1.3
137.05931	2.1
139.03839	1.0
139.05426	0.7
139.11150	1.2
141.01784	0.5
141.06932	1.2
143.07039	0.5
143.08525	1.4
145.02824	45.3
145.10083	3.7
146.03156	1.5
147.04370	0.8
147.11656	1.5
149.02327	5.1
149.05956	6.2
149.09596	1.9
149.13252	3.8
151.03874	1.0
151.11159	1.0
153.09085	3.4
157.06461	4.0
158.10922	1.2
159.08070	0.7
159.11589	0.9
161.05916	0.9
163.03865	1.3
163.07579	0.8
163.11130	1.0
163.14735	0.7
167.03387	25.5
167.04819	1.9
167.14273	0.5
169.06493	1.3
171.11662	0.5
173.09647	1.0
173.11873	0.8
173.13249	10.9
175.07489	0.6
175.14754	0.5
177.05440	100.0
178.05782	2.2
184.07289	0.9
185.05904	1.4
186.05417	1.1
187.07539	0.7
187.11133	1.1
188.08376	1.0
189.05420	1.2
189.09113	4.2
191.14276	25.0
192.14642	0.5
195.04419	0.7
199.05978	0.6
199.07500	3.1
205.12186	0.7
207.06454	1.3
209.15315	6.6
213.05472	1.0
215.10670	1.0
217.08546	3.7
227.06950	3.3
233.11621	1.0
245.08052	7.6
247.13245	1.5
273.07532	2.0
287.05444	1.6
291.08575	19.3
292.08945	0.6
304.05441	0.5
309.09708	4.8
315.04974	1.8
315.08350	0.6
316.05435	0.6
321.16891	1.2
325.09161	0.7
325.15759	0.6
330.07166	0.8
345.09689	4.8
346.10199	0.8
358.01370	0.5
361.09164	0.5
422.56076	0.5
423.16339	0.6
425.10696	0.8
499.23492	0.7
501.19626	1.0
505.11862	0.5
506.39655	0.5
557.14954	3.1
785.42249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
59.04989	0.9
61.02928	7.0
65.03930	0.6
67.05499	8.4
69.03423	3.9
69.07065	3.5
70.06599	4.3
70.98786	2.0
71.01355	0.8
71.04974	2.1
73.02911	2.7
79.05486	10.2
81.03410	5.3
81.07050	9.3
83.04960	1.5
83.08621	2.4
85.02902	5.9
87.04460	0.8
90.42391	0.6
91.03958	2.4
91.05472	11.5
93.07040	8.9
95.04955	3.7
95.08598	4.8
97.02883	4.6
97.06516	1.6
97.10172	1.1
99.04427	0.8
101.02383	1.5
105.07022	7.5
107.04941	1.8
107.08587	5.0
109.02861	1.1
109.06495	1.4
109.10171	2.7
111.08075	1.3
117.07004	1.6
119.08597	4.6
119.29343	0.7
120.94232	0.6
121.10119	3.8
123.08068	1.5
127.03914	1.2
129.05495	0.7
129.07025	1.8
131.08562	3.3
133.10132	3.6
135.11693	1.6
143.08589	1.1
145.10141	2.2
147.08081	0.8
147.11653	3.3
149.09651	1.3
149.13225	0.9
157.10141	2.3
159.11655	1.1
161.09650	0.9
161.13318	0.9
163.11198	1.2
171.11681	0.8
173.05980	0.8
175.11177	1.3
185.04166	1.0
193.12253	1.8
195.14165	0.6
203.03551	0.8
203.05257	0.8
203.56923	0.9
231.02872	1.1
231.06490	0.8
243.08400	4.0
254.17499	1.0
255.17261	0.8
267.15692	0.8
271.06516	0.8
273.18622	1.7
283.15222	4.3
291.19479	5.2
301.08963	1.2
339.17896	1.3
365.23343	1.5
381.19431	0.9
397.18469	1.0
413.16025	1.1
485.23608	0.8
487.19553	1.5
501.23111	11.9
535.28741	6.5
543.39624	0.7
551.27405	0.9
573.25183	1.9
589.41577	0.8
657.34631	0.8
777.38373	0.9
795.44904	100.0
796.45300	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	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
61.02907	6.8
67.05492	6.3
69.03413	3.6
71.02816	3.8
73.02908	4.3
79.05492	4.5
81.03420	1.4
81.07024	6.5
85.02912	6.2
91.03957	3.0
91.05463	1.6
91.99754	1.2
93.07049	4.3
95.08605	5.6
97.02895	4.4
101.02386	2.3
103.83226	1.3
105.07018	1.5
107.08606	2.0
109.10126	2.0
117.06980	1.2
121.10164	1.6
135.11725	1.5
174.04199	1.3
197.36302	1.5
243.08366	1.4
287.02338	1.4
335.25693	1.7
351.96429	1.3
358.77441	1.3
508.08691	1.4
519.29382	13.6
797.51636	100.0
798.51434	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	799.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.05003	0.2
63.02390	0.3
69.03421	9.7
70.03830	0.2
70.04249	0.2
70.32764	0.1
72.38676	0.1
73.02909	0.1
75.04460	0.2
77.03969	0.1
78.04721	0.1
79.05476	0.1
81.03422	0.2
81.07032	0.1
84.08159	0.1
85.02895	3.4
87.04455	2.2
89.03899	2.5
89.04443	0.1
89.29629	0.1
91.05480	0.2
95.04939	0.1
97.02876	2.6
97.06504	0.1
99.04424	0.1
103.05454	0.1
105.03360	0.1
106.04156	0.1
107.04956	0.2
109.02890	0.2
115.03907	1.6
115.14468	0.1
117.03362	9.2
118.03694	0.1
119.04911	0.1
127.03899	2.7
127.04858	0.1
131.04919	0.1
133.04935	1.2
134.03618	0.7
135.04410	0.9
137.02328	0.3
137.05966	0.1
141.06976	0.1
145.02826	34.6
146.03159	0.4
147.04442	0.2
149.05957	3.9
151.03818	0.1
158.06024	0.2
161.05949	0.1
162.03079	0.2
163.03874	0.7
167.03406	0.2
167.06960	0.1
175.03845	0.1
177.05441	100.0
178.05826	1.5
186.05458	1.1
187.07504	0.2
189.05458	0.1
191.07066	0.1
195.06497	5.8
200.04634	0.1
201.05522	0.1
203.07002	0.1
207.06494	0.1
215.03429	0.1
215.07018	0.3
219.06493	0.1
222.11290	0.1
227.07022	0.2
228.04150	0.1
231.06340	0.2
233.08110	0.3
239.03406	1.3
243.06493	0.4
253.04880	0.5
255.06360	0.1
256.03714	0.1
261.07660	0.6
267.02847	0.3
267.05963	0.1
271.05994	1.1
273.07816	0.1
281.04361	0.3
283.05945	0.1
284.03055	0.4
291.08530	0.1
296.07019	0.1
297.07526	0.2
299.05460	7.6
300.05829	0.2
309.09607	0.1
313.06964	0.2
314.07797	3.9
315.08145	0.1
321.09647	5.7
322.10010	0.2
329.10150	19.9
330.10535	0.5
339.10706	11.2
340.10992	0.2
369.28851	0.1
471.15085	0.7
779.71643	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	793.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
61.02913	0.4
65.03918	1.0
69.03405	1.2
69.50368	1.6
69.50799	1.2
73.02905	0.3
79.05466	0.3
81.03393	0.7
85.02889	2.2
89.03903	2.8
91.05468	2.3
93.03395	1.1
93.07031	0.3
94.04185	0.4
95.04932	0.7
97.02879	15.1
102.04701	0.3
103.05431	0.9
105.03376	0.4
105.07005	0.6
107.04913	0.4
109.02873	0.8
110.53989	0.3
111.37479	0.3
115.03948	0.3
115.05439	0.6
117.03362	7.7
117.06964	0.4
119.04912	2.4
121.02843	0.5
121.06496	0.5
122.03594	0.5
123.04365	0.5
123.74985	0.3
124.05195	0.4
127.03896	100.0
128.04225	1.2
129.06982	1.7
131.04904	1.2
133.02835	3.7
133.06483	0.5
134.03610	0.7
135.04388	0.9
137.05956	8.3
141.06960	0.5
145.02824	18.8
145.06429	0.7
147.04366	2.5
149.02353	1.2
149.05956	4.2
150.06624	0.3
151.03860	0.8
151.07541	0.7
153.01802	0.9
157.06462	1.5
160.05104	0.3
161.05960	1.8
162.06720	1.1
163.03891	0.4
163.07518	1.0
165.05426	0.7
167.03378	5.8
167.04802	0.6
167.07059	0.4
169.06480	1.1
172.05031	0.3
173.05983	1.1
174.06660	0.4
175.03909	2.1
175.07552	1.0
177.05441	27.0
178.05801	0.9
179.07011	3.8
184.05133	0.4
185.05995	1.2
186.05490	0.5
187.07449	0.7
188.08292	0.3
189.05467	0.5
189.09135	1.3
191.07040	0.4
193.04979	0.6
195.04428	0.4
197.05965	0.8
199.07518	1.4
201.05420	4.1
201.09087	0.4
203.07033	0.5
204.04099	0.6
207.06479	0.6
211.07556	0.7
213.05411	1.8
213.08983	0.4
215.06926	0.7
217.08467	2.0
219.06424	1.6
221.08035	2.4
227.06969	1.8
229.08621	0.8
231.06476	1.1
233.05899	0.5
233.08118	0.5
245.08066	5.3
246.08670	0.4
249.07541	0.5
257.08109	1.4
264.07825	0.4
265.08530	0.6
271.15054	0.3
275.09225	0.6
277.08636	0.7
289.09158	5.7
291.08649	1.8
293.08084	0.4
297.07538	1.3
303.05206	0.3
305.08090	0.6
307.09705	0.3
315.08487	0.6
325.10699	4.8
326.10803	0.5
337.10724	1.4
345.09808	0.4
345.78009	0.3
355.11786	2.5
373.12744	2.0
394.71436	0.3
396.08438	0.3
401.02750	0.5
421.12631	1.2
439.13925	0.7
457.14975	0.4
487.15594	0.4
579.16974	0.5
631.10785	6.4
632.10687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.7
55.05505	38.2
57.03426	19.5
61.02913	3.2
65.03931	2.0
67.05493	75.1
69.03418	14.5
69.07057	31.2
70.06564	3.4
71.01344	3.1
71.04984	9.9
76.66245	1.9
77.03996	1.9
79.05483	63.5
81.03405	100.0
81.07047	79.7
83.04965	15.9
83.08604	34.2
84.08110	2.2
85.02888	8.0
85.06502	4.5
86.09706	3.4
89.03899	2.2
91.05466	61.2
93.07032	52.7
95.04959	44.6
95.08586	34.4
97.02866	8.4
97.06521	26.0
97.10161	15.9
99.04477	2.3
99.08067	4.4
103.05431	2.7
105.03293	2.5
105.07018	48.0
107.04949	15.9
107.08585	37.4
109.02878	2.4
109.06512	10.4
109.10123	15.4
111.04432	2.2
111.08073	10.5
112.07585	3.5
115.05419	5.6
117.06998	22.9
119.04904	4.4
119.07767	2.6
119.08565	38.1
121.06462	12.0
121.10132	27.3
123.04432	3.1
123.08041	8.1
123.11719	3.0
125.09616	15.2
127.03819	2.7
128.06197	3.5
129.06967	22.2
131.08553	28.7
133.06511	6.9
133.10115	29.5
135.08005	6.5
135.11647	17.3
137.05928	2.7
137.09596	6.6
140.07051	2.8
141.06956	4.5
142.07773	3.9
143.08505	10.8
145.02821	9.2
145.06448	6.2
145.10095	20.6
147.04399	6.6
147.08064	5.6
147.11679	22.4
149.09561	15.6
149.13249	11.2
151.11183	4.6
153.01791	4.1
155.08569	5.8
157.10118	15.5
159.08034	4.5
159.11688	16.1
161.05948	3.0
161.09584	3.6
161.13254	3.6
163.03847	2.7
163.11124	10.5
164.11461	2.3
165.12686	4.1
167.07014	4.1
169.10031	3.7
171.11685	6.1
173.05890	2.8
173.13216	4.9
175.11153	11.9
177.05438	14.9
178.06310	3.6
179.06763	2.6
183.08002	3.2
183.11594	3.6
184.07329	5.2
185.13235	4.1
187.07481	2.8
187.11156	3.1
187.14807	3.6
189.11220	11.1
189.12711	2.4
193.12221	26.0
195.11652	2.5
195.13751	3.2
197.13277	5.1
199.11217	2.1
205.12302	2.2
211.13234	4.5
217.15840	3.7
227.10767	2.4
227.12677	11.7
229.14250	6.9
233.07892	2.4
233.15392	3.1
240.82675	2.1
245.13731	3.2
249.14819	3.0
255.02864	4.0
255.15840	9.8
257.18933	5.4
261.07419	2.6
267.15866	76.1
269.17429	20.6
272.49786	2.2
273.18539	2.9
275.20065	21.8
285.16922	4.7
287.05560	3.9
299.20108	3.3
315.04984	18.7
316.05362	9.6
317.06183	3.0
330.07306	7.1
331.07611	3.0
344.08575	2.1
345.09695	34.7
346.09991	29.0
349.23724	21.7
367.24731	4.7
369.24103	4.0
380.19653	3.3
421.25671	6.2
435.27505	2.6
443.27887	8.0
447.27325	18.7
449.30463	3.2
461.28949	69.8
463.10028	3.8
479.29984	10.7
501.31879	3.7
509.18170	2.5
541.35242	44.1
559.36035	23.5
569.30249	2.5
577.36731	3.5
756.22711	6.4
774.25140	3.4
792.24432	8.6
793.23645	3.4
793.38586	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	792.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.0
57.03433	13.0
57.07054	2.8
61.02908	3.5
62.16362	0.8
64.79356	0.8
65.03917	3.6
67.05498	77.6
69.03407	2.2
69.07063	19.7
69.67541	5.5
71.04980	2.4
73.02901	1.0
79.05486	47.8
80.56779	0.7
81.03403	1.4
81.07050	73.3
82.07391	0.9
83.04957	1.5
83.08613	9.4
85.02876	2.1
85.06532	2.4
91.03934	1.3
91.04931	1.8
91.05473	27.0
93.07038	51.5
93.60557	0.8
95.04980	4.8
95.08599	61.5
97.06506	3.1
97.10177	3.6
97.22099	0.8
99.08099	1.3
105.04510	1.3
105.07018	19.7
107.08586	31.0
109.06512	1.5
109.10146	23.2
111.08096	1.7
116.28345	0.9
117.07013	8.4
119.08574	16.8
121.10143	25.4
123.11704	7.9
125.09621	0.9
129.06996	2.3
131.08551	13.9
133.10126	14.4
135.11682	16.3
137.09599	1.3
137.13231	2.8
139.11191	0.9
143.08549	1.4
145.10110	10.9
147.11664	9.9
149.13255	8.8
151.11137	1.0
157.10107	2.0
159.11673	10.3
161.13257	8.7
163.14789	4.3
171.11722	1.6
173.13261	8.0
175.14832	3.5
177.16382	1.6
183.11876	0.9
185.13214	2.3
187.14836	4.0
189.16447	1.2
199.14868	1.5
201.16374	1.7
213.16296	1.0
215.17952	1.2
231.21201	1.1
241.19510	3.1
243.21092	6.1
259.20523	5.6
261.22125	20.0
262.22394	0.9
263.23611	1.9
279.23099	1.3
317.24686	3.3
333.24197	5.6
335.25766	100.0
336.26035	4.5
337.27362	8.0
521.43420	2.0
539.44318	0.8
542.02167	0.8
595.47260	13.3
596.47125	1.8
613.48151	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	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.3
55.05503	16.7
56.61274	1.4
57.03436	8.7
61.02922	2.4
65.03933	2.8
67.05500	71.0
68.05790	1.4
69.03413	8.1
69.07065	20.5
69.22990	16.3
71.04981	27.5
72.68009	1.4
75.20727	1.3
79.05479	38.0
81.03397	11.6
81.07048	100.0
83.04975	9.1
83.08607	13.8
85.02901	3.4
85.06541	9.0
91.05470	42.8
93.07034	47.3
94.07336	1.9
95.04972	10.1
95.08596	25.5
96.08945	1.6
97.02886	3.4
97.06517	11.3
97.10153	3.7
99.04479	1.6
99.08073	3.1
105.07017	23.2
106.07333	2.2
107.04931	4.7
107.08586	31.9
109.02832	1.7
109.06509	5.0
109.10136	11.9
111.08103	2.5
117.06998	13.6
118.06520	5.0
119.08566	10.6
121.06458	1.9
121.10122	13.2
123.08063	4.2
123.11713	16.0
125.09598	2.2
127.03903	2.2
128.06180	1.9
129.07001	2.6
131.08546	16.9
133.10110	28.7
135.08041	4.2
135.11676	14.0
137.09624	2.9
141.07005	1.5
143.08505	3.1
145.10139	7.4
147.11713	7.3
149.09573	4.5
149.13269	11.8
151.11160	8.4
155.08609	1.6
157.10095	4.8
159.11720	8.8
161.13219	3.3
162.09181	3.7
163.09526	1.4
163.11165	4.0
165.12759	1.7
169.10120	2.3
171.11670	1.6
173.04417	3.1
173.13277	2.2
177.12689	5.7
183.11711	2.4
183.13826	2.5
187.13248	5.2
195.13766	4.4
225.14886	1.9
227.12688	2.1
230.15329	6.0
231.15680	2.3
243.15877	3.9
251.16302	1.6
257.19247	2.3
267.15906	3.5
269.17453	12.3
275.19937	9.8
288.51929	1.5
292.19061	8.1
293.19275	7.9
294.19672	4.8
301.19995	16.7
320.15588	1.6
349.23694	8.5
367.24451	2.0
423.27576	9.6
437.28946	26.4
445.29193	2.0
449.28864	19.0
451.30377	6.4
463.30609	22.8
477.11755	1.8
481.31378	3.8
495.33157	34.8
496.33514	3.2
499.34436	3.0
517.35077	18.8
531.10272	1.7
531.36401	2.5
543.36572	12.5
544.36725	1.8
575.38873	4.9
595.93555	1.8
607.34705	2.0
639.36768	2.1
790.24969	2.0
790.49982	26.9
791.38611	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	789.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01634	2.9
55.01863	20.1
55.05506	30.3
57.03432	16.3
57.07063	4.2
61.02906	10.8
65.03931	4.7
67.05495	100.0
69.03423	11.5
69.07065	32.2
70.82452	7.8
71.04984	6.3
71.08608	4.5
73.02898	4.2
79.05484	74.5
81.03403	19.3
81.07047	79.0
83.04958	6.7
83.08601	14.0
85.02889	12.3
85.06513	4.5
87.04446	5.9
89.38428	2.6
91.05470	58.5
93.07022	74.9
95.01318	3.3
95.04947	13.3
95.08601	59.1
97.02876	16.9
97.06520	36.4
97.10147	14.8
99.04431	4.5
105.07022	47.4
107.04939	16.1
107.08580	48.9
108.08940	3.5
109.02833	4.4
109.06481	7.4
109.10133	34.2
111.08057	4.6
117.06990	16.0
119.08556	32.5
121.10120	30.3
123.08067	6.7
123.11675	7.8
125.09628	15.8
127.03864	7.4
128.06166	3.3
129.06979	8.6
129.30356	3.3
131.08571	27.8
133.10110	31.2
135.08051	8.8
135.11679	15.6
137.09584	4.0
139.11134	4.5
143.08517	12.4
145.10101	27.6
147.08029	3.6
147.11655	17.8
149.09587	22.6
149.13257	7.4
151.11032	3.3
155.08501	6.7
157.10123	6.4
159.11691	17.3
161.09535	2.9
161.13205	9.5
163.11142	9.5
165.12675	3.5
169.10069	6.6
171.11626	10.3
173.11749	4.6
173.13263	12.9
183.11632	4.4
189.11183	11.1
191.14394	3.8
193.12231	4.1
197.13199	4.7
227.12769	16.3
229.14365	9.4
257.18982	9.5
259.20520	5.1
261.22137	8.6
275.20044	55.8
323.19901	3.8
333.23993	4.8
335.25781	61.4
336.25943	5.5
349.23621	35.3
397.40952	3.2
412.07108	3.5
420.66202	4.0
431.31702	4.2
475.82745	3.5
489.35712	6.2
505.34760	8.9
609.45074	47.1
627.46112	31.3
685.54761	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	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.1
55.02092	2.7
55.05507	40.2
57.03427	33.6
57.07078	3.6
59.04994	3.1
61.02922	6.1
65.03928	4.9
67.05496	93.0
69.03426	19.3
69.07065	46.7
70.06583	5.2
70.76756	2.3
71.01347	4.8
71.04990	21.8
71.59481	3.8
73.02923	5.9
77.75461	2.4
79.05484	95.7
81.03413	74.9
81.03890	3.4
81.07048	93.8
83.01321	3.2
83.04975	34.3
83.08602	34.7
85.02901	34.4
85.06527	6.8
85.61944	2.4
90.40952	2.8
91.03966	3.6
91.05474	80.1
92.05839	2.5
93.07034	81.0
95.04955	43.7
95.08597	46.5
97.02889	18.7
97.06520	100.0
97.10143	13.8
98.06831	3.0
99.04449	5.2
99.08095	8.1
103.05449	2.8
105.04480	2.7
105.07018	54.5
107.04944	22.4
107.08583	43.4
109.02851	7.0
109.06520	26.8
109.10132	26.2
111.04427	6.0
111.08058	17.3
113.05996	4.1
115.05437	5.2
115.07552	16.6
117.07010	26.8
119.04925	4.4
119.08570	49.5
119.09409	4.1
121.06509	11.1
121.10120	27.8
123.04438	3.8
123.08060	17.8
123.11705	6.3
125.06002	3.2
125.09634	9.8
127.03870	5.9
127.07536	4.0
128.06230	4.8
129.07008	23.1
131.04953	3.7
131.08560	37.0
133.06464	7.1
133.10112	33.2
135.08026	17.5
135.11661	13.2
137.05948	5.9
137.09595	5.4
139.07495	3.4
141.06961	3.1
142.07751	5.6
143.08548	8.5
145.06494	3.2
145.10114	21.3
147.04407	12.1
147.08055	10.9
147.11707	23.4
148.11948	3.2
149.05997	4.6
149.09607	11.0
149.13239	8.7
151.07541	6.9
151.11125	5.5
153.01825	4.6
153.12759	3.9
155.08575	3.4
157.10103	19.8
159.08057	5.3
159.11667	15.2
161.09628	8.9
161.13252	2.6
163.03928	5.3
163.11244	13.4
165.09143	3.2
165.12756	3.7
166.78360	2.5
167.07019	5.0
169.10149	5.4
171.11696	6.5
173.04422	4.0
173.09615	5.0
173.11758	6.1
173.13199	5.7
175.11154	15.3
177.05492	9.6
177.12711	5.8
178.06256	5.9
181.10034	3.1
181.12242	3.7
185.13191	4.4
185.58160	3.0
189.11218	6.4
191.07002	3.3
191.10579	3.2
193.12221	38.7
195.13934	5.4
199.14822	5.6
201.09103	2.9
205.04974	2.6
209.11598	3.4
210.08865	2.9
211.11299	3.5
211.13278	54.2
211.15187	4.3
217.15875	7.1
221.15410	3.7
227.12769	11.3
229.14415	12.0
233.15285	3.9
253.14334	6.4
255.02837	4.2
267.15906	23.5
269.04416	3.5
269.17493	19.3
273.18475	32.0
275.20059	6.5
283.15439	24.8
285.16953	41.3
287.05472	4.3
291.19534	15.0
294.60916	2.4
297.03940	3.4
307.18909	3.9
312.06378	4.1
315.04929	23.9
316.05215	4.2
330.07288	11.9
344.09244	2.9
345.09628	56.1
346.10059	5.3
347.22192	11.3
349.23651	8.8
365.23160	6.8
437.25269	13.4
453.24600	3.2
461.28760	6.3
477.11285	7.2
477.28287	13.5
479.29907	16.8
539.33606	5.7
557.34418	21.6
575.35675	19.2
579.11035	3.3
593.36407	7.6
727.23865	5.1
744.46814	3.5
755.23236	25.1
772.22870	6.9
773.23663	9.9
790.24323	17.4
790.43854	3.8
791.25555	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	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.2
55.05250	1.7
55.05502	22.3
57.03430	12.8
57.07074	2.2
59.04989	1.5
61.02898	2.7
65.03931	3.3
66.95290	1.3
67.05494	44.4
69.03421	5.7
69.07056	14.5
71.04981	8.5
71.43288	1.3
79.05038	2.3
79.05482	43.0
79.31673	1.4
79.68913	1.2
80.64163	1.4
81.03408	40.3
81.07044	44.8
83.04963	4.3
83.08602	17.1
85.02877	3.8
85.06522	4.6
87.04475	1.2
91.05467	42.3
93.07034	44.5
95.04960	15.8
95.08588	25.5
97.02857	2.8
97.06509	6.3
97.10164	10.5
98.06003	1.3
99.08092	2.5
103.05427	1.7
105.04462	1.6
105.07018	38.4
107.04932	7.0
107.08584	24.7
109.06496	3.9
109.10139	13.9
111.08094	4.1
115.05441	2.1
117.06973	13.2
117.07550	1.1
119.08565	34.7
121.06491	4.6
121.10123	19.9
123.08056	3.9
123.11684	4.7
123.56866	1.3
125.09591	7.1
128.06245	1.9
129.06996	15.4
131.08554	25.2
133.06464	2.5
133.10101	25.8
135.08009	4.3
135.11696	10.6
137.09581	2.6
142.07768	2.7
143.08543	11.4
144.09355	1.3
145.10094	18.8
147.08054	2.8
147.11678	17.0
149.09595	3.7
149.13191	6.3
151.11099	2.0
153.09059	1.3
155.08562	5.0
156.09251	1.4
157.10086	12.2
159.07961	1.7
159.11676	13.6
161.09636	1.7
161.13231	9.3
163.11140	3.5
165.12807	1.7
167.08479	2.2
169.10091	6.3
171.11685	9.5
173.09618	2.7
173.13223	7.7
175.11148	3.4
175.14755	3.6
177.12749	2.1
181.10054	1.5
183.11656	5.7
185.13223	8.5
187.14783	2.6
189.11201	5.3
193.10275	2.2
193.12195	5.4
195.11644	3.9
195.13597	1.4
197.13268	4.9
199.14867	3.1
201.12784	2.1
209.13239	2.8
210.09004	1.6
211.14853	2.9
213.12720	2.2
213.16402	1.9
217.15929	2.2
225.16483	1.6
227.12740	9.6
229.14349	2.5
239.17993	1.4
241.19522	4.9
253.25114	1.5
257.19083	1.5
259.20535	13.3
265.14438	1.3
267.15836	19.8
269.17508	2.4
271.20767	1.5
275.20038	4.5
283.20523	2.3
287.20059	1.6
295.20618	1.9
297.22122	1.8
299.23608	7.8
301.19958	3.8
321.21875	1.8
333.24191	11.4
403.25055	1.3
415.29639	2.6
417.25580	1.9
421.25674	8.4
433.31030	10.7
435.27100	5.0
437.28967	3.1
447.27289	2.1
449.28876	2.8
451.32092	9.2
463.30841	2.8
465.33362	1.7
467.30927	1.5
469.32971	5.8
495.33298	3.1
499.34225	2.5
507.34442	3.8
517.35181	10.2
525.35706	50.0
525.43622	2.4
526.36005	2.9
539.37122	2.0
543.36761	100.0
544.36823	5.8
544.44305	1.4
557.38092	9.2
567.36682	1.5
575.39600	16.8
576.39368	1.7
633.36969	2.0
651.38470	1.8
687.40692	2.7
693.17059	2.4
772.22626	2.1
790.23499	2.1
791.37079	2.0
818.54681	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	789.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05500	1.5
57.03415	0.7
58.76201	0.2
63.02367	0.2
65.03912	0.7
66.04694	0.3
67.05140	0.3
67.05490	4.8
68.05813	0.3
68.99773	1.3
69.03424	1.7
69.07060	1.6
69.58503	1.6
71.01341	1.7
71.04977	0.5
72.01666	0.2
73.02905	0.5
74.01740	0.2
77.03917	0.3
79.05479	5.3
80.05782	0.3
81.03401	2.8
81.07050	4.2
82.07338	0.4
83.04976	1.1
83.08588	0.8
85.02890	2.2
86.09679	0.2
87.00806	0.6
91.05463	13.0
92.05797	0.4
93.07026	3.6
94.04167	0.8
94.07372	0.4
95.04949	1.9
95.08593	1.6
96.08939	0.4
97.02885	1.2
97.06520	3.4
97.10143	0.5
99.04424	0.5
103.05437	1.0
105.01836	0.5
105.03374	0.5
105.07013	5.4
106.07364	0.2
107.04936	1.6
107.08581	2.0
108.05726	0.3
108.08910	0.3
109.02863	1.0
109.06504	5.1
109.10133	2.2
110.10447	0.2
111.08024	0.4
115.05436	24.2
117.06996	3.0
118.04151	0.2
119.04937	0.4
119.08554	1.6
120.08879	0.6
121.06480	0.7
121.10113	0.9
123.04417	5.4
123.08057	0.3
123.11700	0.3
124.05190	0.4
125.05923	0.4
127.03894	1.7
128.06213	0.6
129.06984	2.5
131.04915	1.1
131.08559	0.5
133.06487	1.2
133.10109	1.1
135.04375	1.0
135.08046	0.5
135.11630	0.4
136.08234	0.3
137.05945	7.2
137.09592	0.3
139.07520	1.0
141.06956	1.3
143.08548	0.6
145.04890	0.5
145.06491	0.2
145.10072	0.9
147.04369	1.1
147.08018	0.4
147.11658	1.8
148.05206	1.2
148.11987	0.4
149.05952	1.7
149.09564	0.5
149.13200	0.3
151.07518	0.6
152.06256	0.3
153.01747	0.2
153.05450	0.3
153.06931	0.7
153.09058	0.5
155.06996	1.9
155.08398	0.5
157.06435	0.7
157.10081	0.3
159.02872	0.3
159.07910	0.3
159.11658	0.7
161.05951	10.2
161.09630	0.4
161.13208	0.7
162.06429	0.4
163.03943	0.2
163.11183	0.3
163.15004	0.3
165.05652	0.4
165.06891	1.0
165.09109	0.8
166.07768	1.3
167.07019	27.8
168.07393	0.5
168.09363	0.2
169.10136	0.5
171.11656	0.5
173.11685	0.4
175.07509	0.5
176.08228	0.4
177.05435	0.5
178.06212	1.2
178.07771	1.9
179.07004	0.8
179.08505	5.1
180.09204	0.4
181.06517	0.6
181.08531	2.0
181.10085	1.4
183.08072	0.4
187.07477	0.5
189.07051	0.3
189.09123	0.3
189.12634	0.2
190.07744	0.5
190.09442	0.2
191.06961	0.7
191.08508	1.3
191.17909	0.6
192.18382	0.3
193.08575	3.0
193.10155	0.4
194.07227	0.6
195.07993	0.8
196.08781	1.7
202.07858	0.2
205.04880	0.3
206.07182	0.3
207.08017	1.9
207.13786	0.7
208.08737	2.2
209.06020	0.4
209.07896	0.2
209.09624	0.7
210.08804	0.4
211.07454	0.4
211.11142	2.5
213.09068	3.1
215.06941	0.2
217.19392	0.4
218.19702	0.4
219.08076	0.5
220.08713	0.4
221.09561	0.8
223.07492	1.1
224.08296	4.2
225.08983	0.6
227.12854	0.5
229.14410	1.2
231.05070	0.3
231.08006	0.3
235.07526	0.3
237.09062	13.1
238.09492	0.6
239.10620	100.0
240.10960	3.4
251.10742	0.5
257.08054	1.5
257.19095	0.3
259.09464	0.2
263.10605	2.6
269.08060	0.4
269.17291	0.4
270.08832	0.4
271.09534	0.9
274.04581	0.3
275.19986	1.0
281.11539	1.1
281.17398	1.3
281.75394	0.2
282.17654	0.4
283.09558	0.5
291.19540	0.5
297.11209	0.3
305.11728	0.5
315.04828	0.4
315.12164	1.2
329.06479	0.3
330.07187	0.3
331.04504	0.5
331.08084	0.5
345.09641	0.5
346.06781	0.8
349.23764	0.4
350.24316	0.4
359.07434	0.4
361.09058	2.9
391.15173	2.0
401.08670	0.2
411.14380	0.3
417.11456	0.5
417.16898	8.2
418.17221	0.3
435.27325	2.0
436.27649	1.2
437.15872	9.0
438.16217	0.4
475.30481	1.3
476.30673	1.0
479.17126	0.3
487.15738	0.4
555.36304	0.6
556.37286	1.2
573.37579	0.3
574.38196	0.4
667.20160	0.3
753.21558	0.5
771.22650	1.7
772.46613	0.2
789.23560	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	789.513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	36.7
55.05505	48.9
57.03436	15.1
57.07058	3.3
60.41087	2.5
61.02924	18.0
65.03934	4.9
67.05495	100.0
69.03419	12.8
69.07064	30.5
69.94993	4.1
69.95415	8.9
70.59670	2.0
71.04989	8.3
71.84678	2.2
73.02905	4.2
79.05485	95.7
81.03410	9.2
81.07049	89.2
83.04973	9.6
83.08609	18.7
85.02890	12.9
87.04449	2.3
91.03947	5.8
91.05466	68.1
93.07035	76.8
95.04958	20.1
95.08597	61.6
97.02872	14.8
97.06514	50.7
97.10155	20.7
99.04452	2.4
99.08060	3.0
105.04494	3.8
105.07014	62.2
107.04940	19.1
107.08588	60.0
107.09325	3.1
109.06511	10.1
109.10148	28.3
111.08096	4.9
115.05392	3.6
117.07008	19.3
119.08554	40.0
121.06467	4.2
121.10139	32.0
123.08042	4.3
123.11700	10.1
125.09617	21.8
127.03893	5.1
129.07002	7.9
131.08549	28.8
133.06454	4.0
133.10120	31.4
135.08029	6.2
135.11676	18.3
137.09608	5.5
139.07617	2.4
140.16833	2.0
141.06979	2.4
143.08546	7.3
145.10114	27.8
147.08104	3.7
147.11671	23.3
149.09604	34.6
149.13240	5.9
149.83484	2.1
151.11191	4.5
153.12740	2.4
155.08556	4.7
157.10112	6.8
159.11656	18.4
161.09674	3.5
161.13228	12.3
163.11165	8.0
163.14799	2.5
165.09093	2.3
165.12672	2.5
169.10234	5.9
171.11722	7.6
173.11928	2.4
173.13219	12.2
175.14740	3.6
177.12733	4.1
179.10843	2.0
183.11697	6.4
185.13266	3.7
187.13232	2.9
187.14786	3.4
189.11214	15.6
195.11644	2.5
197.13211	4.2
205.12354	3.4
211.14900	2.2
212.90984	2.3
227.12723	34.8
229.19412	4.0
239.17892	3.3
241.19452	2.4
243.20985	3.4
257.18967	7.8
259.20529	3.4
261.22107	10.7
273.18631	3.4
275.20010	68.3
277.21490	3.7
293.21133	4.4
299.19864	2.1
317.24875	4.1
331.22476	3.0
333.24301	3.5
335.25742	83.9
336.26270	4.0
349.23672	49.9
355.22858	2.4
431.31488	6.8
489.35797	3.8
505.35168	14.8
513.39221	8.0
515.37152	5.1
609.45044	45.8
627.45984	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	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.7
55.05503	40.3
57.03423	14.4
57.07062	3.3
61.02908	12.3
65.03926	5.5
67.05493	79.1
69.03415	20.2
69.07054	33.9
70.06599	1.7
70.90824	4.9
71.04980	10.9
71.08623	2.1
73.02893	6.3
79.05482	63.8
81.03400	34.0
81.07043	79.9
82.07375	2.5
83.04965	11.7
83.08601	21.9
85.02890	15.5
85.06530	4.6
91.03937	5.8
91.05470	67.5
91.06042	3.6
93.07030	62.8
95.04951	16.9
95.08001	3.4
95.08591	50.5
97.02876	24.2
97.06503	18.8
97.10159	13.9
99.04431	6.9
99.08079	3.1
101.02349	3.0
103.05435	2.6
105.07017	63.4
107.04931	11.5
107.08573	41.7
109.02853	7.3
109.06489	10.0
109.10134	28.9
111.04409	3.5
111.08060	7.9
115.05399	3.8
117.07010	23.4
118.07365	2.2
119.08562	45.7
121.06477	4.1
121.10123	27.2
123.08076	9.1
123.11667	8.5
125.09602	9.6
127.03880	7.0
128.06204	5.0
129.05484	3.6
129.06978	22.1
130.07826	2.6
131.08546	36.7
133.06410	4.5
133.09175	2.9
133.10115	33.8
134.10503	2.5
135.08034	6.7
135.11681	14.0
137.09587	6.3
137.13272	2.6
139.11143	2.2
141.06950	8.2
142.07738	6.5
143.08548	27.1
144.09273	2.2
145.04834	2.4
145.06496	4.6
145.10098	32.7
147.08005	5.6
147.11667	25.7
149.09579	11.9
149.13240	8.4
151.11143	2.3
153.06975	3.6
153.09079	2.1
154.07756	1.9
155.08530	16.7
156.09221	3.1
157.10092	29.2
159.08043	4.0
159.11649	27.1
161.09563	3.5
161.13196	13.4
163.11200	4.4
163.14781	2.8
165.12730	2.4
167.08548	6.2
169.10106	21.8
171.08025	2.4
171.11671	22.1
173.04460	12.7
173.09651	4.5
173.11911	3.0
173.13210	13.4
175.11052	3.2
175.14842	7.7
177.12715	3.4
179.08479	5.3
181.10071	10.3
183.07980	2.2
183.11661	21.2
185.13261	17.8
187.11166	3.2
187.14885	8.9
189.11201	3.5
189.12698	2.7
189.16399	2.6
193.10095	5.1
195.11711	9.9
197.09595	2.4
197.13260	14.9
197.14845	2.3
199.11172	2.5
199.14838	8.1
201.12636	3.1
201.16302	2.7
205.10207	2.0
207.11642	5.7
209.09767	2.2
209.13254	9.3
209.15181	2.7
211.11131	2.6
211.14801	8.9
213.12752	3.0
213.16327	7.0
215.17899	3.5
219.11642	2.7
221.13242	4.6
223.14755	6.1
225.16376	4.1
227.12679	5.0
229.14235	3.1
231.17439	2.1
233.13283	2.7
237.12694	1.9
237.16347	6.2
239.17957	4.6
241.19490	7.8
247.20506	2.8
249.16425	4.0
251.17969	4.2
255.17462	2.5
255.21097	2.2
257.18942	8.3
259.20557	12.1
261.22260	3.2
267.15665	2.2
273.18616	4.3
275.20020	27.0
276.20322	1.9
283.20444	3.1
291.19455	2.3
297.22137	2.2
313.21655	2.4
315.23074	3.1
323.23499	2.9
325.21637	3.2
331.22443	2.2
333.24274	11.8
335.25821	2.5
339.23083	3.3
349.23779	12.1
365.28290	2.8
403.30298	3.3
421.30914	5.0
439.32132	2.2
445.31058	2.0
457.32837	2.5
495.34555	3.6
513.35602	25.4
514.35681	2.5
515.37927	7.5
527.37115	8.2
531.37164	2.0
533.39581	7.5
537.36035	2.3
551.40332	4.6
589.42322	2.4
607.43488	48.2
608.43860	4.9
625.44537	100.0
626.44818	7.1
637.44574	2.1
649.44995	3.4
689.42523	8.0
733.47241	4.5
751.47046	4.6
769.48315	8.2
787.49658	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	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.0
55.05502	32.2
57.03423	13.0
57.07069	2.5
61.02938	2.1
65.03928	5.5
66.23661	1.9
67.05498	100.0
68.99780	1.9
69.03419	6.5
69.07064	30.0
69.37385	19.1
70.06595	2.0
71.01353	16.7
71.04987	7.2
79.05483	97.5
81.03403	17.2
81.07044	90.8
82.07355	2.5
83.04974	22.5
83.08612	21.5
85.02872	4.0
85.06532	8.1
91.05470	82.4
93.07034	88.3
94.07359	2.1
95.04955	29.7
95.08598	45.5
97.02877	7.2
97.06525	25.5
97.10155	8.6
98.21426	3.3
99.04458	2.3
99.08089	3.1
101.05975	1.8
103.05499	2.2
105.04518	2.4
105.07017	56.7
107.04934	14.1
107.08584	45.8
107.09320	2.7
108.08921	1.8
109.02859	3.2
109.06489	17.4
109.10148	32.2
110.42074	2.0
111.04384	3.7
111.08069	6.6
115.05434	6.8
117.07011	15.8
119.08562	42.9
121.06466	6.4
121.10122	21.5
122.10477	1.9
123.04385	4.5
123.08064	8.5
123.11711	4.3
125.09625	6.3
127.03842	3.2
127.07494	2.1
128.06218	2.8
129.06966	15.8
130.07771	1.9
131.08557	17.8
133.06506	3.4
133.10100	31.4
135.08060	5.7
135.11678	12.1
136.37755	1.8
137.05862	4.0
137.09563	3.0
139.07524	2.9
143.08536	11.9
145.10109	25.0
147.04375	2.5
147.07990	5.4
147.11676	41.0
149.09608	9.0
149.13226	9.1
151.07530	1.9
151.11172	3.9
153.06984	2.1
157.10103	4.4
159.08128	2.6
159.11707	13.8
161.05960	3.4
161.09612	5.5
161.13208	14.3
163.11186	6.5
165.09140	2.5
165.12793	2.8
167.07047	7.4
167.08443	2.4
169.10117	3.8
171.11664	21.5
173.09656	2.7
173.11772	4.2
173.13193	4.5
175.11221	2.9
175.14883	2.2
177.05621	2.6
187.11198	2.7
187.14804	2.8
189.11201	4.1
189.12747	7.5
190.16774	2.4
191.17955	10.1
192.18265	4.2
193.12271	2.1
195.13814	4.5
197.13240	2.9
203.17929	3.1
205.12282	2.5
207.13771	17.4
210.08841	2.0
217.19513	6.5
218.19832	2.9
225.14796	2.6
227.12813	8.3
229.14339	15.2
229.19389	2.4
237.09183	2.2
239.10667	18.3
257.18964	6.4
267.15909	4.7
269.17410	11.8
270.08466	2.4
273.18549	4.5
275.20038	28.7
276.20459	2.4
278.57227	2.2
281.17450	52.6
283.15277	2.5
291.19534	7.1
293.21289	2.4
300.05908	2.0
345.05850	3.0
345.09637	5.3
346.06403	2.4
349.23572	13.2
353.31653	1.9
359.07321	2.6
361.09390	8.8
367.24649	4.7
417.16669	2.4
435.27411	48.9
475.30573	76.1
476.30994	3.4
493.28009	2.9
555.36737	46.4
562.14246	2.5
573.38123	18.2
578.09711	2.6
619.34113	2.7
693.17371	2.1
771.22253	9.8
789.23865	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	1.0
55.05504	3.1
57.03404	0.9
61.02871	1.5
61.03154	0.4
63.14376	0.4
65.03912	1.0
67.05496	6.6
69.03370	1.7
69.07049	3.0
70.06545	0.4
71.01302	0.4
71.04955	1.1
71.61782	0.7
73.02861	1.4
78.69196	0.4
79.05476	5.5
81.03405	3.8
81.07043	5.9
82.07359	0.5
83.04929	1.5
83.08553	1.6
85.02882	1.9
91.05467	6.6
92.04988	5.9
92.05531	0.7
92.05772	0.5
93.05737	1.3
93.07018	4.9
94.06551	0.9
95.04962	2.0
95.08601	3.1
97.02824	1.7
97.06482	0.8
97.10120	0.8
101.02287	0.7
105.07011	3.4
106.06489	1.8
107.04889	1.2
107.08577	2.9
109.02794	0.5
109.06416	0.6
109.10084	1.5
111.08041	0.7
115.05381	0.6
117.05726	2.1
117.06957	1.5
118.06525	20.0
119.07248	1.7
119.08532	2.1
120.08049	1.7
121.06460	0.6
121.10078	1.7
123.08001	0.4
125.09524	0.7
129.06958	0.9
130.06458	1.8
131.07257	0.6
131.08484	2.0
132.08046	2.7
133.08948	0.6
133.10051	2.7
134.09573	0.9
135.07982	0.6
135.11656	0.9
137.08310	0.5
137.09628	0.4
144.07996	1.0
145.08977	0.5
145.10080	1.7
146.09567	1.0
147.11607	1.4
149.09561	1.4
157.10086	0.8
159.11620	0.7
160.11133	0.5
161.13213	0.7
162.09117	21.1
163.09909	4.9
164.10628	0.9
169.10028	0.8
171.11618	0.6
173.13214	0.5
175.11131	0.6
176.10684	3.1
177.12715	0.4
193.12216	1.0
196.82698	0.4
202.15884	5.2
218.15433	0.8
222.52898	0.4
228.13507	0.5
229.14346	0.5
230.15366	34.6
231.15738	1.2
248.16441	2.3
253.14249	0.6
257.18948	0.8
262.18088	2.0
267.15869	3.6
271.97327	0.5
274.17941	1.5
275.19998	2.8
291.19485	0.7
292.19025	82.2
293.19357	3.3
304.19089	2.1
322.20126	0.7
332.22226	1.2
348.21704	3.1
349.23663	1.5
510.26926	8.7
533.34235	0.7
541.35181	9.5
541.42963	0.7
542.35803	1.2
559.36383	0.7
578.10883	0.6
608.44330	0.6
626.44171	5.7
770.50049	0.7
788.49292	100.0
789.49725	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.8
55.05503	45.5
57.03430	17.9
57.07066	5.5
57.86605	2.8
61.02918	7.7
64.38380	3.1
65.03916	7.6
67.05153	5.8
67.05499	100.0
69.03423	24.1
69.07055	27.3
69.88036	16.3
71.01336	4.7
71.04984	7.5
71.31843	2.9
73.02901	4.2
76.73193	2.8
79.05035	5.9
79.05482	86.7
80.55690	3.5
81.03407	35.7
81.07046	85.0
83.04955	15.5
83.08606	15.6
85.02893	12.4
85.06520	3.4
91.04948	4.1
91.05476	60.5
93.07037	70.1
94.38359	3.7
95.04957	31.2
95.08598	50.8
97.02859	18.1
97.06533	11.0
97.10138	19.3
103.05436	3.8
105.04486	5.0
105.07018	45.3
107.04951	18.4
107.08579	38.9
109.02850	10.1
109.06532	20.8
109.10145	25.9
111.08060	9.2
115.05431	6.8
117.06983	22.5
119.08556	33.8
121.06502	6.6
121.10131	28.5
123.04386	3.5
123.08019	15.9
123.11705	3.8
125.09595	17.8
127.03893	8.8
128.06223	6.2
129.07008	16.5
130.07823	4.0
131.08563	32.1
133.06491	9.4
133.10120	21.6
135.08020	17.5
135.11656	16.5
137.09647	7.5
141.07080	4.8
142.07648	3.4
143.07539	3.3
143.08508	18.5
145.10085	33.6
147.08015	9.6
147.11661	13.3
149.09572	7.2
149.13237	5.5
151.07512	5.1
151.11160	4.2
155.08481	4.1
157.10155	9.4
159.08023	7.4
159.11664	14.4
161.09615	8.7
161.13232	6.1
165.09109	4.3
169.10056	5.9
171.11707	10.2
173.04440	7.5
173.09644	3.4
173.11816	3.6
173.13257	8.8
175.11214	9.5
185.13206	6.7
187.14795	5.7
189.11217	14.1
191.10732	4.7
193.12247	7.7
195.11714	5.5
215.10666	4.7
223.13289	7.4
225.11053	3.8
227.12720	10.3
237.16478	7.0
255.17479	8.1
261.22055	5.3
273.18506	42.3
275.20001	5.4
275.93384	3.3
291.19516	40.8
335.25729	58.4
347.22141	13.4
354.80429	3.4
365.23251	9.7
505.35577	4.2
553.86365	3.4
579.39807	3.0
607.43402	18.2
625.44489	28.2
787.49451	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	19.3
55.05505	41.9
57.03426	15.3
57.07063	2.9
61.02920	17.1
65.03926	5.1
66.40675	1.6
67.05495	85.9
69.03404	17.9
69.07057	38.6
70.18639	7.0
71.01352	2.2
71.04982	8.4
71.08598	1.8
73.02921	8.3
73.65402	1.5
77.03916	2.3
79.05478	65.5
81.03407	24.8
81.07042	80.6
83.04967	9.6
83.08608	19.4
85.02898	20.0
85.06509	4.0
91.03944	7.6
91.05465	70.4
93.07027	58.6
95.04955	16.7
95.08596	52.1
97.02883	13.8
97.06039	1.9
97.06526	22.0
97.10142	13.5
97.43410	1.7
98.76814	1.5
99.04441	3.1
103.05457	2.2
105.07010	61.9
107.04942	9.9
107.08584	36.3
108.08927	1.9
109.02862	7.1
109.06511	9.2
109.10143	33.2
111.08076	6.6
114.77302	1.8
115.05463	5.5
117.06998	30.3
118.06505	2.9
119.08566	44.7
121.06476	5.3
121.10121	25.9
123.08038	6.2
123.11668	8.8
125.09615	10.4
126.74506	1.9
127.03915	5.1
128.06221	9.6
129.05496	2.5
129.06998	24.2
131.08548	41.8
133.06476	3.5
133.10112	32.9
135.08052	7.3
135.11702	11.3
137.09583	6.4
139.11115	2.7
141.06938	9.6
142.07739	5.4
143.08548	25.2
145.06432	3.5
145.10100	38.9
146.10767	1.8
147.08006	6.2
147.11639	24.5
149.09650	10.1
149.13225	5.5
151.11165	2.0
153.06938	4.0
154.07764	1.8
155.08510	21.5
156.09256	5.1
156.83440	1.8
157.10104	27.4
159.08032	5.3
159.11655	21.7
161.09650	4.7
161.13214	11.7
162.09138	2.3
163.11176	6.3
163.14824	3.6
165.12773	3.4
166.07710	2.0
167.08575	8.5
168.09314	2.1
169.10110	22.9
170.10867	2.0
171.07999	2.4
171.11656	26.4
173.04436	4.8
173.09566	3.6
173.11876	3.9
173.13246	17.7
175.11159	3.4
175.14799	4.7
177.12735	4.5
179.08508	4.0
180.09264	2.2
181.10080	13.1
182.10788	3.2
183.11678	18.9
185.09671	3.1
185.13210	15.1
187.11165	4.4
187.14787	7.9
189.11252	3.0
189.16327	2.4
191.14311	3.3
193.10121	5.6
193.12244	2.5
194.10950	2.1
195.11699	11.3
195.13493	2.6
197.13271	15.0
199.11224	2.5
199.14795	11.4
201.16406	3.5
207.11613	5.7
209.13310	10.8
211.14815	10.2
213.12886	2.2
213.16399	7.1
215.14241	3.0
215.17964	2.8
217.15881	2.7
219.17430	1.9
221.13300	3.9
223.11192	2.1
223.14780	7.2
225.16309	5.1
227.12560	2.2
227.14471	2.2
227.17935	2.6
229.14343	5.5
229.19394	2.7
230.15395	3.5
235.14771	2.4
237.16380	5.9
239.17914	5.8
241.19472	5.3
245.87225	2.0
249.16359	3.1
251.17941	3.8
253.19640	2.7
257.19092	6.5
259.20584	10.5
267.15674	2.7
267.20938	2.1
275.20078	17.6
291.19647	3.4
292.19040	9.8
295.20374	2.5
297.22073	3.2
299.23755	2.0
301.21582	2.6
309.22156	2.2
313.21686	3.4
315.23099	3.4
325.21408	3.5
333.24191	8.3
349.23737	8.2
365.28287	4.4
379.29929	2.5
383.29242	2.3
385.23608	3.4
389.27914	1.9
403.29929	2.5
421.30865	5.0
439.60333	1.9
441.26324	1.9
495.34454	4.2
497.36850	2.8
513.28113	1.4
513.35699	33.0
514.36096	3.0
515.38232	6.2
527.37146	5.5
533.39801	6.5
541.35089	4.4
551.40918	3.7
555.36322	3.0
557.37457	2.1
567.40015	3.1
577.18048	2.0
589.42200	3.5
607.33948	2.4
607.43518	46.8
608.43597	5.3
623.41461	2.1
625.44513	100.0
626.44678	5.8
667.45264	2.9
733.46643	3.0
751.47357	2.8
756.19336	2.1
769.48059	7.4
787.49805	14.2
788.49493	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.9
55.05507	53.9
57.03445	18.5
57.07067	6.0
61.02913	9.7
65.03922	8.6
67.05139	4.8
67.05496	93.7
69.03416	10.9
69.07056	26.1
69.25204	2.8
69.69700	21.2
71.04993	10.1
73.02904	4.2
77.03905	2.8
79.05485	82.3
81.03404	17.6
81.07047	100.0
83.04968	12.1
83.08607	23.0
85.02898	10.9
85.06547	4.7
86.24058	2.9
91.03977	2.6
91.05466	97.9
91.38885	2.7
92.05800	3.0
93.07033	79.9
95.04958	22.6
95.08596	65.3
97.02894	8.8
97.06508	12.8
97.10165	17.2
99.04450	4.4
99.08080	2.9
99.38653	2.8
103.05466	4.2
105.07009	77.4
106.07304	2.9
107.04960	14.7
107.08578	42.6
109.02888	4.5
109.06489	12.7
109.10139	28.3
111.08073	6.6
115.05439	9.4
116.06171	6.0
117.07009	50.4
119.08563	43.1
121.06497	10.6
121.10133	26.9
123.08042	10.2
123.11680	6.9
125.09602	7.2
127.03909	6.0
128.06204	29.2
129.06985	37.1
130.07776	9.2
131.08551	93.2
133.06479	11.0
133.10133	27.9
135.08072	6.7
135.11682	16.7
137.09599	6.7
141.06979	10.5
142.07753	7.4
143.08551	96.2
144.09140	3.0
145.06456	6.7
145.10112	91.5
147.08041	20.4
147.11676	14.7
149.09589	8.3
149.13243	9.8
151.07510	3.0
151.11148	5.5
154.07683	4.0
155.08591	12.7
157.10094	33.1
159.08093	6.7
159.11687	24.7
161.09613	16.8
161.13153	4.6
163.11148	6.4
165.06995	4.4
165.09123	3.1
167.08562	5.4
169.10112	16.6
171.11644	22.4
173.09581	4.9
173.13286	8.2
175.11183	8.9
177.12775	8.8
181.10085	12.0
183.11751	11.9
185.09671	4.5
185.13239	10.9
187.11127	4.3
189.11218	5.4
193.12209	3.7
195.11732	19.1
197.13237	5.5
199.14720	3.4
201.12834	3.7
209.13277	4.8
213.12753	3.7
227.12753	7.5
227.17833	13.1
237.16344	26.4
245.18968	6.6
255.17430	28.7
261.22052	4.6
273.18451	79.4
274.18948	3.3
275.19965	3.2
291.19482	19.8
329.21140	9.2
335.25763	93.2
336.26038	5.0
347.22113	39.6
348.22552	3.2
593.27094	7.3
607.43591	47.8
608.43555	5.3
625.44202	9.2
769.47272	4.6
787.48749	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	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	21.4
55.05504	43.9
57.03431	13.9
57.07053	5.5
59.04995	3.2
61.02916	17.7
61.81289	2.2
65.03922	5.8
67.05494	100.0
69.03417	19.3
69.06690	2.8
69.07057	41.0
70.06569	2.2
71.01340	12.7
71.04971	12.9
71.39510	3.6
73.02901	7.5
79.05022	4.3
79.05479	76.9
81.03398	32.8
81.07043	94.8
82.07368	3.7
83.04958	10.7
83.08601	22.5
85.02896	18.5
85.06503	3.9
91.03936	7.8
91.05464	77.9
92.05779	2.3
93.07028	74.7
94.07368	3.5
95.04958	22.1
95.08593	58.6
95.09193	3.7
97.02880	22.8
97.06525	20.7
97.10160	18.3
98.29232	1.8
99.04449	3.7
99.08067	4.2
105.07014	67.5
106.07336	2.0
107.04943	14.0
107.08575	45.9
109.02850	8.8
109.06505	11.0
109.10153	36.0
110.10494	2.1
111.04420	3.9
111.08062	8.5
113.05978	2.1
115.05413	3.8
117.06994	33.6
119.07739	3.1
119.08562	53.9
119.09406	3.3
120.08853	3.4
121.06467	9.8
121.10124	33.5
123.08048	6.2
123.11673	12.8
125.09637	13.7
127.03868	7.7
128.06204	9.9
129.05446	2.5
129.06981	28.3
130.07774	4.3
131.08546	44.6
133.06482	3.9
133.10101	42.1
135.08047	10.7
135.11670	17.3
137.09615	4.9
139.11154	4.6
141.06996	10.9
142.07809	5.6
143.08542	29.2
145.06393	3.8
145.10098	40.4
147.07996	6.6
147.11671	31.1
149.09605	12.9
149.13222	10.8
151.07483	2.7
151.11177	4.8
153.06941	2.9
155.08517	17.5
156.09322	4.4
157.10103	31.2
159.08017	4.5
159.11656	28.5
161.09592	5.6
161.13245	16.0
163.11201	10.2
163.14780	4.4
165.06987	3.9
165.12689	2.6
167.07140	2.7
167.08546	9.6
169.10094	21.2
171.08040	3.0
171.11656	23.9
173.04449	4.5
173.09579	4.7
173.11810	4.1
173.13179	14.7
175.11198	4.5
175.14813	6.8
177.12753	5.6
177.16383	3.3
179.08517	2.5
181.10080	10.3
182.10985	2.6
183.11627	21.7
185.09653	2.7
185.13242	14.7
187.11230	3.6
187.14787	7.9
189.11159	5.8
189.12674	3.6
191.14323	2.3
191.17937	7.7
193.10150	4.7
193.12065	3.0
195.11621	11.1
197.09532	3.0
197.13194	10.5
199.11183	3.3
199.14813	9.8
201.12683	4.0
201.16376	2.5
203.17871	2.7
205.10216	3.0
205.12131	3.0
207.11687	5.5
209.11531	2.5
209.13351	10.5
211.14767	11.2
213.12677	2.6
213.16338	4.2
217.15898	2.4
217.19450	5.8
221.13301	4.0
223.14784	7.8
225.16357	8.4
227.12733	8.3
227.17963	4.3
229.14302	6.5
229.19475	3.8
237.16432	2.3
239.17796	4.3
241.19437	6.1
243.15790	2.7
243.20862	2.6
251.17943	2.8
257.18863	6.3
259.20490	10.7
267.15799	2.6
271.05777	2.2
271.20483	3.1
273.18411	6.1
275.20038	24.2
279.20602	2.1
283.15344	4.5
291.19507	12.1
292.19778	6.1
293.21259	2.7
297.22116	2.2
315.22958	3.3
317.21344	2.9
325.21600	2.3
333.24097	8.8
335.25919	3.5
343.22504	2.9
347.22540	2.9
349.23972	11.0
365.23315	2.9
365.28174	2.9
366.23340	3.0
367.23465	3.4
407.37012	2.9
421.31000	3.9
439.31708	3.6
441.26001	2.7
453.33112	2.4
489.35187	2.6
513.35767	22.3
515.38202	5.9
527.37238	4.1
528.37775	2.2
533.39709	6.7
551.40552	3.3
567.39685	2.7
573.34167	6.6
590.34412	3.2
591.34760	2.9
607.43628	42.2
608.43555	5.5
623.41589	3.1
625.44586	93.7
626.44604	9.3
733.46014	4.1
751.47534	5.0
754.40472	2.8
769.48352	7.6
787.49438	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.7
55.05503	36.5
56.51080	1.7
57.03432	19.7
57.07047	2.7
59.04982	2.0
61.02915	7.7
65.03624	1.6
65.03914	8.4
65.24359	1.5
67.05493	100.0
69.03419	14.2
69.07062	27.3
70.70925	1.6
71.04980	6.6
71.65739	2.1
73.02913	2.7
79.05480	81.8
81.03410	15.0
81.07043	91.5
83.04971	12.1
83.08605	16.0
85.02889	13.4
85.06520	7.2
91.03912	2.1
91.05465	71.9
92.05748	1.6
93.06432	3.6
93.07032	74.5
93.15813	1.8
95.04950	36.2
95.05517	3.0
95.08588	58.9
97.02859	13.2
97.06508	9.7
97.10149	13.2
99.04436	4.2
103.05453	4.0
105.07014	57.6
105.07725	3.5
107.04939	10.7
107.08582	37.7
109.02837	5.7
109.06500	25.2
109.10139	19.9
111.04325	3.2
111.08054	8.2
113.05981	10.3
115.05442	7.0
116.06257	2.7
117.07007	38.9
119.04923	2.2
119.08563	42.7
121.06495	7.7
121.10134	27.8
123.08055	9.9
123.11675	4.9
125.09630	6.0
127.03900	7.5
128.06201	16.0
129.06989	22.0
129.96793	1.7
130.07758	6.9
131.08549	54.0
133.06522	9.4
133.10103	22.9
135.08040	17.6
135.11668	13.8
137.09604	4.5
141.06967	6.8
142.07748	6.9
143.08543	37.9
145.06476	6.3
145.10091	49.4
146.10402	1.7
147.08046	11.8
147.11700	11.8
149.09602	7.7
149.13307	4.9
151.07529	2.0
153.12708	2.4
154.07779	1.9
155.08531	6.1
156.09390	1.9
157.10118	23.6
159.08017	7.0
159.11673	17.4
161.09592	10.0
161.13229	4.7
163.11159	7.6
165.09131	3.0
165.12820	2.0
166.07794	2.2
167.08533	2.9
169.10126	11.4
171.11615	13.6
173.09596	6.5
173.13225	7.8
175.11147	7.6
177.12704	4.2
181.10135	5.9
183.11665	6.9
185.09613	3.7
185.13252	5.0
187.11165	4.5
187.14742	2.3
189.11163	3.3
189.12737	4.0
193.12138	2.6
195.11731	9.6
197.13205	3.5
199.11220	3.1
199.14783	4.6
201.12732	3.8
209.13210	2.2
217.15813	4.5
223.13322	3.0
227.12680	2.7
227.17955	7.7
237.16409	10.9
245.18985	7.5
255.17462	16.4
257.19196	1.9
261.22098	4.8
273.18454	75.6
275.20105	2.1
291.19519	41.1
292.20142	1.8
317.24814	2.3
329.21167	4.6
335.25742	90.4
336.26047	4.7
347.22137	28.5
348.22382	2.1
365.23184	6.3
417.22653	2.2
430.76349	1.9
435.23630	4.3
607.33844	2.7
607.43457	31.5
608.43591	2.8
612.47620	1.7
625.44696	15.8
626.44586	2.2
751.48401	2.1
769.48376	1.9
787.49060	5.4
800.41956	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	787.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	20.9
55.05500	38.6
57.03428	16.6
57.07061	6.9
61.02913	17.1
65.03940	3.3
67.05493	89.1
69.03420	19.1
69.07058	39.8
71.01331	2.1
71.04984	11.1
71.08614	4.3
71.63803	3.2
73.02909	12.5
79.05480	68.4
81.03405	24.5
81.07043	90.8
83.04958	14.1
83.08611	22.7
85.02895	24.6
85.06555	5.2
87.04454	4.3
89.06032	5.5
91.03943	8.3
91.04923	4.2
91.05465	61.3
93.07029	55.8
93.07590	4.2
94.07351	2.0
95.04955	16.4
95.08590	65.4
96.08936	2.7
97.02872	21.9
97.06513	23.8
97.10149	12.9
99.04443	6.9
99.08095	5.3
103.03914	1.8
105.07008	59.2
107.04930	7.6
107.08571	38.4
109.02872	4.3
109.06486	14.5
109.10130	23.5
111.04400	3.8
111.08092	9.1
113.05931	1.9
115.05470	4.6
117.06993	23.7
119.08561	40.9
121.06461	4.4
121.10131	27.6
123.08051	5.7
123.11655	9.9
125.09622	8.3
127.03912	5.7
128.06210	9.0
129.05469	3.9
129.06981	26.2
130.07799	3.4
131.07059	1.9
131.08539	43.3
132.12990	1.8
133.06445	5.3
133.08594	3.5
133.10117	34.3
135.08014	10.3
135.11679	13.3
137.09628	4.1
139.11143	3.1
141.07004	13.8
142.07793	6.6
143.08531	32.8
144.09354	1.8
145.04922	3.0
145.06467	3.5
145.10092	38.6
147.07988	3.0
147.11647	21.4
149.09616	8.8
149.13223	7.8
150.17444	1.8
151.11148	3.7
154.07718	3.6
155.08524	24.7
156.09271	2.8
157.10091	30.8
159.08034	4.2
159.11670	28.1
161.09567	5.4
161.13142	11.2
163.11200	5.6
163.14828	3.6
165.06914	2.3
165.12671	3.6
167.08519	10.5
168.09242	3.4
169.10077	24.6
171.11650	22.2
173.04457	4.7
173.09642	3.0
173.11932	2.8
173.13234	14.5
174.13814	1.7
175.11166	4.2
175.14818	2.9
177.12785	3.6
178.07730	2.3
179.08540	5.9
179.14314	2.6
181.10118	12.2
182.10930	2.2
183.11673	24.5
185.09612	3.3
185.13222	18.0
187.11194	3.4
187.14824	7.7
189.11072	2.8
193.10115	8.3
195.11641	14.8
197.09706	2.4
197.13266	15.6
199.11287	2.2
199.14825	9.9
201.12697	2.9
201.16341	4.9
203.14424	2.8
205.15837	2.7
206.10869	2.3
207.11664	6.7
209.09506	2.1
209.13217	14.1
211.14778	10.9
213.16353	8.4
215.14455	2.7
215.17978	2.3
219.11702	3.6
221.13223	7.0
223.14813	8.4
225.16351	5.2
227.12579	4.9
227.17915	4.8
227.19994	36.6
228.20404	19.3
229.14304	3.7
233.13260	3.1
233.19087	3.3
235.14891	4.8
237.16434	6.5
239.17918	7.5
241.19481	6.4
249.16417	2.5
251.17877	4.0
253.19475	2.1
257.19019	6.4
259.20578	10.7
261.22043	2.2
263.17963	3.3
271.20432	4.0
273.18521	5.2
275.20120	16.6
277.19318	3.9
277.22025	2.4
283.20578	2.7
291.19598	2.1
295.20441	2.4
301.21692	4.5
311.20084	3.1
311.23627	2.3
313.21823	2.3
325.21420	2.9
331.22653	3.1
333.24194	6.4
335.25693	5.9
339.22842	3.2
349.23907	7.8
353.24576	2.8
356.72113	2.2
357.24405	2.4
365.28290	4.1
381.31491	2.1
397.30566	2.1
419.29340	2.5
421.30835	4.6
439.31989	3.2
447.32272	3.1
449.30573	2.6
494.10941	2.3
495.34851	4.1
511.37177	2.9
513.35626	31.1
515.38281	7.3
527.36951	7.7
529.39374	2.1
533.39673	7.0
538.36371	2.1
539.36975	2.9
541.38135	5.6
543.36682	2.8
551.40961	2.8
553.39246	3.3
567.40582	2.6
607.43457	57.6
608.43481	5.8
625.44537	100.0
626.44836	12.1
637.43768	2.9
733.46552	5.7
751.47931	2.6
769.48468	7.8
787.49786	20.5
788.50427	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	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.8
55.05504	29.5
57.03432	10.2
57.07060	4.4
59.04998	2.4
61.02918	14.3
65.03920	2.7
67.05495	59.9
69.03426	13.1
69.07062	24.4
70.77210	4.1
71.04982	4.8
71.08646	1.3
73.02911	8.1
77.03897	1.3
79.05483	45.9
81.03416	13.2
81.07046	51.3
82.07352	1.3
83.04983	6.4
83.08608	15.7
85.02893	13.5
85.06538	2.9
91.03931	7.3
91.05470	43.4
93.06439	2.1
93.07033	43.4
95.04965	8.1
95.08593	40.1
97.02866	14.7
97.06525	16.8
97.10149	12.6
99.04424	1.9
99.08105	1.7
101.02364	3.0
103.05470	2.3
105.07012	38.6
107.04945	5.3
107.08578	29.1
109.02864	4.0
109.06515	4.1
109.10147	19.3
111.04421	1.5
111.08067	4.1
115.05442	4.1
117.07006	20.5
119.08564	30.1
121.06474	2.6
121.10124	15.9
123.08062	3.8
123.11712	7.3
125.09600	8.8
127.03915	3.7
128.06215	4.4
129.05499	2.3
129.06984	17.8
129.07857	1.8
130.07796	3.5
131.08548	31.0
133.06512	2.9
133.10104	24.5
135.08064	5.0
135.11684	10.1
137.09628	3.3
139.11221	1.4
141.06972	7.7
142.07744	3.9
143.08539	17.9
145.04898	1.4
145.06473	1.4
145.10103	24.1
147.08072	4.7
147.11670	16.2
149.09590	8.3
149.13205	5.9
151.72919	1.1
153.06892	1.3
154.07724	2.2
155.08524	12.7
156.09341	2.7
157.10123	20.5
159.08061	2.2
159.11659	17.9
161.13235	8.0
163.11186	5.0
163.14861	1.9
165.06966	2.4
166.07854	1.4
167.08600	6.7
168.09386	2.4
169.10115	17.5
171.08017	1.7
171.10239	2.6
171.11644	16.0
173.04419	3.7
173.09628	1.4
173.11815	2.0
173.13266	9.3
175.11185	3.4
175.14845	4.2
177.12758	2.0
179.08545	1.8
180.09340	1.6
181.10086	9.0
182.10835	1.7
183.11682	15.1
185.09709	1.6
185.13234	11.2
187.11188	2.9
187.13356	1.6
187.14763	6.1
189.11211	4.7
189.16307	1.6
192.09357	1.3
193.10114	4.7
195.11644	9.8
195.13480	1.7
197.13237	13.0
199.11235	1.4
199.14795	7.7
201.16414	2.7
207.11697	3.7
209.13228	9.6
211.14766	7.1
213.12762	1.6
213.16386	4.7
215.17967	2.2
217.15845	1.4
219.11690	1.8
221.13243	4.5
223.14769	6.2
225.16385	5.3
227.12744	9.2
227.17978	3.8
229.14343	5.1
229.19385	1.5
231.17368	1.6
233.13335	1.6
235.14751	4.1
237.16426	4.7
239.17963	3.9
241.19485	4.4
243.15819	2.1
251.17944	2.5
253.19490	1.6
255.17470	1.6
257.18970	5.2
259.20557	9.2
263.17990	1.7
273.18530	4.2
275.20108	12.9
281.18875	1.3
283.20370	1.8
285.22070	1.8
291.19687	2.2
295.20566	2.1
297.21976	1.6
299.20145	1.8
309.22244	2.0
315.23199	1.8
333.24466	5.8
335.25809	1.9
337.25089	1.6
339.23096	2.2
349.23770	8.7
351.25800	1.3
353.24478	1.4
365.28415	3.5
377.27777	1.9
379.29959	2.1
381.31708	2.1
383.29089	1.3
421.31027	3.6
435.32541	2.1
439.32187	1.3
495.34784	2.7
511.37448	1.6
513.35767	28.4
514.35602	1.3
515.38562	5.3
527.37219	5.0
533.39764	6.7
537.35663	2.7
543.37036	2.0
551.40753	4.3
555.36493	2.6
567.40521	1.6
589.42859	1.6
607.43506	46.6
608.43744	5.2
623.41943	1.6
625.44562	100.0
626.45093	10.9
671.41284	1.5
689.42285	2.2
713.01953	1.3
733.46637	1.6
751.47021	1.4
769.48657	3.5
787.49579	15.9
788.49323	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	787.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.9
57.07057	2.5
58.15433	0.6
67.05494	8.8
68.99784	1.1
69.03407	0.7
69.07053	9.3
69.61570	4.7
71.01340	100.0
72.01667	0.5
79.05476	6.2
81.03429	0.5
81.07040	18.7
83.08586	4.5
87.41259	0.5
91.05464	6.4
93.07030	13.0
95.04951	1.9
95.08588	28.3
97.02868	4.1
97.06530	0.7
97.10159	2.1
103.05450	1.1
104.16017	0.5
105.07009	14.4
107.04921	0.8
107.08569	21.7
109.02879	1.0
109.10137	25.5
111.11751	1.2
117.07072	1.0
119.04887	0.5
119.08555	17.8
121.10119	20.1
122.20171	0.5
123.04501	0.6
123.11681	13.3
123.12502	0.9
125.09577	0.5
127.03918	2.7
129.06921	1.3
131.04944	2.1
131.08557	3.1
133.10098	14.0
135.11664	15.8
135.12648	1.0
137.13211	4.7
139.11197	0.7
143.08568	1.5
145.10092	3.8
147.04410	1.2
147.11652	14.3
147.13461	0.7
148.05191	2.1
149.13223	11.0
149.14279	0.8
151.14867	0.9
157.10167	1.9
159.04387	8.3
159.11681	5.1
161.13217	13.7
161.14507	0.8
163.14767	6.9
164.04633	0.7
165.12775	0.9
165.16655	0.5
167.07098	0.6
171.11726	1.0
173.05951	4.2
173.13177	3.2
175.03929	1.5
175.14793	7.2
177.05522	1.0
177.16330	6.1
179.14304	0.8
179.18135	0.8
185.06047	1.2
185.13295	1.0
187.14771	3.8
189.16347	9.2
191.03427	1.3
191.17914	44.7
192.18492	0.6
193.19403	0.6
199.07689	0.6
199.14851	0.8
201.05478	0.8
201.16348	6.6
201.17917	0.6
203.03360	3.4
203.07014	1.4
203.17908	19.4
205.19485	4.6
213.16377	0.9
215.17920	5.6
217.19476	32.6
219.21178	1.2
221.19060	1.3
227.07036	1.1
227.18054	1.0
229.04961	1.0
229.19467	5.3
231.02832	14.8
231.21008	2.7
233.19054	0.9
235.20522	6.0
241.19618	0.7
243.21202	1.8
243.88577	0.6
245.04405	5.9
245.22638	6.7
247.05833	0.7
255.21068	0.9
257.04431	1.0
257.22577	3.3
269.22693	0.7
271.06125	1.5
271.24265	1.2
273.03906	0.7
275.05460	7.3
283.24298	0.9
299.05490	3.7
303.05112	0.9
306.81860	0.6
317.06601	1.5
327.04919	5.6
345.06006	15.3
346.06464	0.7
353.32068	3.3
363.06949	0.9
407.36664	13.0
407.41910	0.9
425.37524	4.1
744.54083	0.6
787.44165	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	787.497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.4
55.05502	33.4
57.03440	13.3
61.02907	11.6
61.49839	2.4
65.03919	6.5
67.05142	5.0
67.05492	86.5
69.03422	22.4
69.07056	32.0
70.69489	7.2
70.99952	2.3
71.04990	12.1
71.08620	2.4
73.02905	5.4
79.05017	4.6
79.05479	66.8
81.03403	56.9
81.07045	100.0
83.04951	18.9
83.08598	19.0
85.02883	18.9
85.06513	4.3
91.03950	3.6
91.04930	4.5
91.05466	67.5
92.05798	3.1
93.06432	4.1
93.07026	74.9
95.04935	16.8
95.08580	59.2
97.02862	22.0
97.06499	19.0
97.10148	5.2
99.04438	7.2
99.08063	2.8
103.05443	2.8
105.07011	72.0
107.04930	10.3
107.08581	43.5
107.36108	2.5
109.02846	10.0
109.06495	9.7
109.10153	22.9
111.04380	2.8
111.08044	6.7
113.79501	2.7
115.05446	4.8
116.06265	2.7
117.07005	31.1
119.04861	2.8
119.08554	53.2
121.06507	4.4
121.10126	30.6
123.08041	7.3
123.11681	12.1
125.09634	5.9
127.02962	2.6
127.03886	8.8
128.06201	5.5
129.05463	5.2
129.06993	18.6
129.07802	2.7
130.07787	3.2
131.08557	43.4
132.37758	2.6
133.10107	33.9
135.08025	5.6
135.11668	19.5
137.09607	7.3
141.06978	8.7
142.07750	3.6
143.08537	22.4
145.06444	4.1
145.10117	29.8
147.07979	2.9
147.11656	30.4
149.09624	7.9
149.13237	8.4
151.11145	6.5
155.08586	12.3
157.10098	19.3
159.08009	4.9
159.11664	23.5
161.09639	6.5
161.13284	15.7
163.11104	3.1
163.14731	5.0
165.12723	4.7
167.08588	4.6
169.10030	13.2
171.08153	2.7
171.11676	23.2
173.04471	17.2
173.09491	4.6
173.13197	15.4
175.11214	5.2
175.14745	4.5
177.12654	2.9
181.10097	10.2
183.11693	13.2
185.09572	2.6
185.13217	13.8
187.14781	7.2
193.10056	5.8
195.11682	8.9
195.13664	3.2
197.13252	9.5
199.14827	9.2
201.12773	2.9
205.10085	3.5
207.11780	3.1
209.13281	6.3
211.11159	2.6
211.14789	7.2
213.16376	4.3
215.14337	3.5
223.14745	2.7
225.16338	3.6
235.14662	3.7
237.16440	4.1
241.19464	8.9
245.18867	4.1
257.19028	5.7
259.20602	14.1
261.22101	6.9
267.16003	6.4
269.22559	2.8
273.18527	4.5
273.22171	3.0
275.20078	19.3
287.20074	3.9
289.21457	4.2
301.21707	3.2
333.24271	12.9
335.25876	5.1
339.22876	3.5
349.23615	7.9
369.24042	3.0
413.21735	3.5
513.35785	7.4
515.38013	4.5
527.37170	15.5
533.39575	6.8
551.40869	4.5
607.43683	31.9
625.44611	41.6
626.44434	4.2
635.39075	4.5
653.39740	5.5
671.41278	5.6
689.42078	9.9
690.41644	3.3
733.46436	4.6
751.47021	4.3
769.49109	5.8
787.50201	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	787.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05502	6.8
57.03430	0.9
57.07067	2.9
65.03934	1.0
67.05497	13.2
68.99781	1.4
69.03426	1.4
69.07055	13.9
71.01344	100.0
71.04981	0.8
71.08659	0.7
71.66322	1.0
73.02912	0.7
74.30148	0.6
79.05483	9.9
81.03402	2.3
81.07047	24.9
83.04975	0.9
83.08613	7.8
85.02901	1.1
91.05467	10.8
93.07030	19.3
94.13107	0.5
95.04966	2.0
95.08593	39.9
97.02866	5.8
97.06532	1.9
97.10162	3.4
99.04440	0.5
103.05453	2.0
105.07013	19.6
106.07323	0.6
107.04960	1.0
107.08578	30.1
109.02872	1.9
109.06535	1.3
109.10141	32.7
110.10484	0.7
114.45491	0.6
115.03946	0.9
115.05429	1.3
117.07024	2.4
119.04945	1.2
119.08566	24.1
120.08884	0.8
121.10129	28.8
123.11692	18.0
125.09641	1.6
127.03877	2.9
128.06215	1.1
129.07021	1.6
131.04898	3.7
131.08583	3.4
133.10104	20.0
134.65866	0.6
135.11674	19.1
137.05914	0.7
137.13240	6.7
139.14609	0.6
141.07007	0.8
143.08598	1.8
145.10083	6.1
147.04373	3.2
147.11662	15.9
148.05191	2.5
149.02385	0.7
149.13245	14.1
149.14441	0.8
151.14825	1.0
153.01883	0.6
157.06512	1.8
157.10092	1.6
158.07272	0.7
159.04378	8.6
159.11656	6.4
160.05170	0.6
161.06004	0.6
161.09558	0.9
161.13239	18.0
161.14519	1.1
163.03893	0.8
163.11256	0.8
163.14781	8.2
164.04684	2.9
165.09055	1.0
165.12788	1.0
171.11758	1.0
173.05957	6.1
173.11772	0.7
173.13181	3.8
174.13783	0.7
175.03903	1.3
175.14799	11.0
175.16187	0.9
176.21506	0.6
177.05492	1.2
177.12775	0.7
177.16374	10.0
179.17914	1.0
185.05980	1.7
187.03888	1.2
187.14801	4.9
189.05507	0.6
189.16360	12.2
191.03429	1.1
191.17921	66.1
192.18361	2.0
199.14888	0.9
201.05466	0.9
201.16370	8.7
201.18156	0.6
203.03365	3.6
203.07097	1.9
203.17928	24.7
204.18311	0.7
205.19463	5.7
213.16422	1.1
215.17911	7.7
217.19490	49.6
218.19846	1.0
219.06602	0.8
219.17487	0.8
219.21095	1.8
221.19043	1.9
227.07076	1.8
227.17996	1.4
229.04907	3.0
229.19478	7.3
231.02850	13.3
231.06535	0.9
231.21036	3.3
233.19171	1.3
235.20575	7.9
241.19531	1.3
243.21022	2.8
245.04428	8.1
245.22595	7.3
246.25665	0.6
247.06129	1.3
255.21111	1.5
257.04538	2.0
257.22644	3.5
260.98267	0.7
263.05621	0.7
269.22699	1.0
271.05862	1.3
271.24265	1.2
273.03967	1.7
275.05460	9.1
281.04443	0.9
283.24127	0.9
285.03888	0.8
289.07086	0.8
293.06631	1.7
297.25934	1.0
299.05432	5.4
303.05103	1.2
309.26120	0.7
315.04959	1.4
317.06570	2.2
327.04932	11.4
327.08405	0.6
344.08737	1.0
345.06021	18.8
345.09537	1.2
351.30267	0.8
353.32022	1.8
363.07104	3.2
407.36700	15.5
407.42041	1.0
425.37714	5.6
481.06436	0.7
589.84955	0.6
659.13544	1.4
678.92627	0.6
787.44513	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	787.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05503	6.6
57.03420	0.6
57.07075	3.0
65.03938	1.1
67.05494	11.1
68.99780	0.8
69.03417	1.8
69.07057	10.6
69.58337	3.9
71.01343	100.0
72.01673	0.5
74.88654	0.4
79.05482	7.3
81.03408	0.9
81.07046	24.5
83.04948	0.6
83.08605	5.7
85.02861	0.8
91.05461	8.9
93.07029	15.3
95.04959	1.4
95.08593	36.6
96.08929	0.6
96.80168	0.5
97.02887	5.9
97.06505	0.5
97.10162	3.7
98.02418	0.5
99.04414	0.5
103.05451	1.3
105.07011	16.2
107.08580	27.4
109.02872	1.4
109.06516	0.6
109.10138	30.0
111.08062	0.7
111.11717	0.6
115.05453	0.9
117.06995	1.2
119.04935	0.9
119.08559	23.6
121.02834	0.5
121.10123	26.4
122.10432	1.0
123.08123	0.5
123.11694	16.7
125.09605	0.5
127.03927	2.4
129.06987	1.0
131.04893	3.7
131.08545	2.1
133.06483	0.5
133.10117	19.1
135.11681	16.8
137.13231	5.6
138.13611	0.5
139.11176	0.9
143.08534	1.2
145.10094	5.5
147.04391	1.8
147.11655	14.3
148.05208	3.0
148.12056	0.6
149.12105	1.0
149.13232	12.7
151.14821	1.7
153.03424	0.5
157.06407	0.5
157.10083	1.3
159.04401	9.2
159.11682	6.1
161.13239	17.4
163.14775	9.5
164.04579	2.2
165.12694	1.1
171.11610	1.6
173.05969	5.5
173.13223	3.8
175.03899	1.9
175.14815	8.5
175.16220	0.8
177.05374	0.7
177.16364	9.2
179.14214	0.5
179.17957	1.2
185.05940	1.1
185.13243	0.6
187.14832	3.1
188.04713	0.6
189.16368	10.6
191.03377	1.0
191.17917	64.0
192.18282	1.9
193.19473	0.6
199.07559	0.7
199.14807	1.2
201.05443	0.8
201.16382	6.9
203.03360	3.0
203.07014	2.6
203.17921	23.4
204.18195	1.0
205.04939	0.5
205.19510	5.7
213.05444	0.6
213.16350	0.8
215.17963	6.5
217.19482	46.0
218.19815	1.5
219.17467	0.6
219.21103	1.6
221.18976	2.1
225.05518	0.5
227.07010	1.8
227.17914	1.7
229.04929	1.4
229.19499	6.4
231.02834	13.6
231.21133	3.4
233.18974	1.1
235.20525	7.9
241.19464	0.8
243.21103	2.9
245.04420	8.2
245.22635	6.8
247.05989	0.8
255.20990	1.6
257.04352	1.5
257.22626	2.8
259.24149	0.6
263.05536	0.6
269.22583	1.3
271.05994	2.0
271.24173	1.6
273.03680	0.5
275.05502	6.8
283.24112	0.8
285.03903	0.6
293.06500	1.5
297.25476	0.9
299.05402	4.0
303.04895	1.1
313.28943	0.5
317.06442	1.8
327.04910	11.6
345.06003	20.4
345.10199	1.1
346.06250	0.9
353.31979	2.8
363.07040	1.7
407.36658	15.6
408.37018	1.2
425.37680	5.9
635.26520	0.5
650.03802	0.5
787.43683	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	787.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05514	0.4
57.03432	1.7
61.02909	0.4
63.02369	0.2
65.03938	0.3
68.99805	0.5
69.03421	0.8
71.04983	11.0
72.05315	0.2
73.02903	0.2
75.04473	0.3
78.04690	0.2
79.39895	0.1
81.03397	1.1
83.04979	0.7
85.02894	19.2
86.03219	0.2
87.04437	0.4
89.03909	2.5
91.05466	0.4
93.03368	0.2
95.04981	0.3
97.02882	2.8
99.04434	0.4
103.05401	0.2
107.04920	0.3
109.02861	1.5
111.00777	0.8
111.04418	0.7
117.03361	8.0
118.03710	0.2
119.04944	0.2
121.02847	0.7
123.04436	0.2
127.03904	1.4
129.05470	2.7
134.03586	0.6
135.04379	0.8
137.02321	3.0
137.03363	0.3
137.05980	0.4
145.02831	22.0
145.04900	0.9
146.03165	0.5
147.04381	0.3
147.06491	0.5
149.02342	0.3
149.05959	3.3
153.01796	3.4
163.03893	0.8
165.01819	1.9
166.02441	0.2
173.05949	0.4
177.05444	42.8
178.05798	1.1
179.07021	0.2
183.02875	0.7
183.04289	0.3
186.05501	0.7
187.03845	0.3
191.06877	0.2
195.02863	0.2
195.06506	2.5
201.05447	1.5
205.04996	0.2
219.02975	0.2
219.06477	0.4
229.02745	0.3
229.04953	4.3
230.05310	0.3
231.06502	0.1
233.08040	0.1
247.05925	0.6
257.04401	2.6
261.07440	0.2
274.04688	0.7
275.05560	0.2
285.03870	1.2
285.29761	0.1
286.04474	0.2
287.05484	0.5
303.04944	100.0
304.05298	3.9
305.10052	0.2
315.04947	0.7
321.09738	0.5
323.11301	0.3
329.06598	0.2
339.10748	2.9
340.11081	0.2
345.09622	0.2
346.09897	0.4
369.06396	0.2
411.07217	0.2
485.16666	0.6
493.14780	0.3
536.83130	0.2
623.13605	0.2
641.15338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.6
55.05505	59.4
55.40377	2.4
56.49658	2.3
57.03428	13.5
57.07067	4.3
59.04989	2.8
59.42650	2.6
61.02918	12.9
62.33381	2.4
65.03931	7.6
67.05495	94.6
69.03416	21.3
69.07056	34.4
71.04988	7.9
71.63774	3.4
73.02908	7.5
79.05486	68.1
81.03409	30.2
81.07047	64.4
83.04977	12.7
83.08612	25.7
85.02877	14.4
85.06550	4.4
88.14931	2.7
91.03934	6.5
91.05469	57.5
93.07032	62.5
93.49996	2.5
95.04959	21.9
95.08588	48.7
97.02880	12.0
97.06519	11.2
97.10156	26.8
99.04442	5.4
103.05461	4.7
105.07021	55.1
107.04954	13.7
107.08578	42.8
109.02871	8.6
109.06494	9.6
109.10138	24.6
111.04406	3.7
111.08053	6.4
115.05437	6.3
117.07000	29.6
117.53458	2.4
119.08566	42.0
121.06496	6.8
121.10120	18.1
123.08047	9.4
123.11688	4.9
125.09609	23.5
127.03889	7.1
128.06238	9.4
129.05487	3.1
129.06976	27.5
130.07729	3.3
131.08556	42.6
133.06474	6.3
133.09158	3.4
133.10118	27.3
135.08049	12.6
135.11688	9.1
136.98238	2.4
137.09593	7.3
141.06966	13.5
142.07735	6.5
143.08542	28.8
145.06508	6.8
145.10109	37.3
147.08031	4.9
147.11668	17.9
149.09619	10.5
149.13344	3.9
153.06970	4.9
153.09077	4.9
154.07729	3.0
155.08539	20.8
157.10126	23.6
159.08018	5.7
159.11681	17.0
161.09619	6.8
161.13206	9.1
163.11220	6.1
165.07037	3.4
166.07722	3.2
167.08563	12.0
168.09288	4.6
169.10095	23.6
171.08098	3.2
171.11652	22.1
173.04425	6.6
173.09589	5.0
173.13225	9.0
175.11227	6.0
175.14799	4.5
178.07762	4.0
179.08553	9.6
181.10092	19.1
182.10895	3.7
183.11603	22.1
185.09608	4.6
185.13197	15.5
187.11203	7.0
187.14806	6.7
189.11186	15.6
189.12706	4.7
189.16345	3.1
193.10107	5.6
193.11978	2.7
195.07906	3.9
195.11635	14.6
197.09579	3.9
197.13292	15.2
199.14786	9.2
201.16283	4.5
205.10121	3.8
207.11786	4.0
209.13208	9.3
210.10358	2.6
211.11269	3.4
211.14760	8.1
215.14270	4.5
221.13229	7.5
223.14937	5.4
224.12030	2.8
225.12793	6.2
225.16368	7.9
227.12683	17.3
227.17880	5.9
233.13155	4.9
235.14784	3.3
237.16440	4.6
239.14267	5.3
239.17970	8.6
245.13406	3.3
247.14774	4.0
249.16475	3.5
251.17955	5.1
255.17314	2.8
257.18945	7.2
259.20554	2.7
265.19669	2.6
267.15768	3.6
267.21371	2.6
273.18576	9.3
275.20056	17.8
277.19388	2.8
283.20694	4.2
291.19595	11.5
295.20505	3.0
297.18246	3.8
297.22086	3.5
299.19943	3.0
307.20642	3.3
335.25891	6.5
349.24228	3.9
351.23102	4.8
367.22574	5.2
379.29916	10.0
441.26584	3.6
477.88913	2.6
511.34225	3.6
513.36749	4.4
531.38184	8.0
549.39105	8.4
554.35638	4.9
587.40186	2.9
605.41895	28.4
606.42175	4.5
613.45618	3.3
623.42963	100.0
624.43048	4.8
633.75568	2.9
731.45154	5.4
749.45758	6.5
767.46509	10.9
785.48340	38.6
786.48541	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	785.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05506	10.8
57.03428	5.5
61.02917	28.9
62.06647	0.8
65.03925	2.2
67.05495	25.7
68.99780	0.9
69.03420	7.6
69.07056	8.4
71.01345	0.8
71.04971	2.6
71.58733	0.9
73.02901	7.4
79.05486	19.0
81.03419	4.8
81.07047	26.7
83.04971	3.8
83.08611	9.4
85.02895	28.0
85.06535	1.9
91.03941	15.4
91.05469	29.4
93.07029	20.5
95.04953	5.7
95.07957	0.7
95.08595	16.6
97.02877	17.0
97.06525	4.8
97.10157	2.1
98.03188	0.7
99.04449	1.8
99.08070	1.1
102.80443	0.7
103.05437	2.0
105.03363	0.8
105.04531	0.8
105.06351	1.4
105.07019	22.6
106.04224	0.6
106.07430	0.6
107.04956	4.3
107.08577	9.2
107.27284	0.7
109.02853	2.3
109.06516	3.6
109.10147	4.8
109.91917	0.7
111.04399	1.2
111.08067	2.3
115.03909	1.5
115.05434	3.1
116.06234	1.2
117.03349	1.1
117.06995	16.5
118.07404	0.8
119.04912	1.7
119.08556	13.6
121.06497	4.5
121.10142	6.4
123.08068	2.8
123.11650	0.8
125.09611	1.5
127.03922	7.4
128.06190	3.9
129.06995	22.5
130.07762	1.2
131.04884	1.1
131.08553	27.1
133.02829	3.2
133.06497	3.8
133.10112	8.9
135.04402	1.1
135.08037	2.5
135.11656	3.3
137.05960	1.2
137.09578	1.7
139.11185	0.9
141.06963	9.8
142.07770	3.2
143.08543	17.4
144.09094	0.7
145.02829	2.5
145.04916	6.2
145.06465	5.7
145.10104	13.1
147.04419	1.4
147.08015	3.3
147.11676	3.9
149.06027	1.5
149.09569	3.8
149.13190	0.9
151.11246	1.4
152.06139	0.7
153.06915	2.0
154.07719	1.9
155.08543	16.8
157.06483	2.7
157.10092	11.2
159.08055	4.5
159.11655	9.1
161.09624	2.9
161.13234	1.2
163.06052	3.2
163.07341	0.7
163.11154	1.6
165.05643	0.8
165.06992	2.3
166.07779	1.2
167.08560	7.4
168.09340	1.4
169.10117	10.8
171.08064	3.0
171.11722	7.1
173.09653	3.2
173.13274	2.1
175.11156	2.7
175.14757	0.8
177.05429	5.2
177.12732	2.1
178.07748	1.4
179.08522	3.5
180.09341	1.2
181.10114	7.7
182.10789	0.8
183.08093	0.9
183.11703	6.3
185.09589	3.0
185.13231	4.1
187.11154	2.5
187.14793	1.2
189.09015	0.7
189.11183	0.7
189.12755	1.3
191.07030	1.8
191.08598	1.2
191.14140	0.9
192.09314	1.1
193.10129	3.8
193.12184	1.3
194.10890	0.9
195.11655	7.8
196.12177	1.2
197.09663	1.6
197.13187	5.7
199.11162	2.2
199.14861	2.1
201.12778	2.5
203.14323	1.6
205.04988	4.4
205.10133	1.1
207.11761	3.4
209.13228	4.9
210.13809	0.8
211.11176	2.2
211.14865	3.5
213.09166	1.4
213.12717	2.4
213.16400	1.8
215.14375	3.1
217.12210	0.8
217.15761	1.5
217.27118	0.8
219.11693	1.3
221.13258	5.9
223.11369	0.9
223.14856	6.0
225.12785	1.6
225.16418	1.8
226.06177	1.2
227.14279	0.8
229.16013	1.2
231.17404	1.2
233.13272	1.1
233.15334	1.1
235.14871	4.0
237.05458	1.0
239.14282	4.9
241.16005	1.6
243.13765	0.9
243.17378	1.3
249.16316	2.4
251.14348	1.2
253.15875	3.0
254.05521	0.9
257.15414	3.1
259.17093	1.4
269.08029	13.7
270.08539	1.5
271.16983	2.5
285.18454	1.1
287.05576	0.7
303.19412	1.3
315.04932	2.5
315.21002	1.5
323.20331	0.9
323.23798	3.1
324.91086	0.8
330.07474	1.1
333.22110	10.1
334.22696	0.8
341.24606	5.7
345.09814	4.8
351.23148	28.9
352.23526	1.1
355.11761	1.6
369.24207	23.2
369.53851	0.8
387.25250	12.4
389.24677	1.6
407.25748	1.3
415.28503	1.0
425.26794	9.1
433.29532	2.0
443.27899	100.0
444.28296	6.0
461.28937	59.4
461.35745	0.7
462.29346	4.4
473.28162	0.9
485.29062	1.3
503.30124	1.7
531.28735	0.9
551.29431	0.8
569.30902	1.0
587.31818	1.6
605.33051	2.8
606.33917	1.0
623.34045	2.8
730.58319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69661	0.1
64.35935	0.1
69.03403	0.2
70.98509	0.3
79.24558	0.1
83.23104	0.1
85.02903	0.2
90.64684	0.1
104.16624	0.1
107.04962	0.1
123.04427	0.2
139.03947	0.1
147.04384	0.2
153.01804	1.0
161.02325	0.2
163.03903	0.6
167.07033	0.5
170.02122	0.2
177.05499	0.3
178.02628	0.4
178.06239	3.0
179.03357	0.5
195.94241	0.1
204.04172	0.3
212.04530	0.1
213.05437	0.2
216.04163	0.7
217.04976	0.2
227.03400	0.3
228.04108	0.2
231.02806	0.2
231.06522	0.5
239.03340	0.2
241.04947	0.4
243.06456	0.5
244.03583	0.7
245.04407	0.1
253.04915	0.1
255.02858	5.2
256.03479	0.3
259.06055	1.2
269.04395	1.6
271.06024	0.3
272.03207	0.3
281.04462	0.4
282.04572	0.1
283.02335	1.2
283.05936	0.5
284.03119	0.5
284.06747	0.3
285.03815	0.2
285.07315	0.1
287.05475	5.8
288.05688	0.2
289.10580	0.1
297.03860	1.5
298.04584	0.2
299.05417	1.9
300.02606	2.1
300.05701	0.1
301.06998	0.4
311.05518	0.4
312.06277	1.0
313.06973	0.8
314.04547	0.2
314.07611	0.6
315.04950	37.4
316.05359	1.1
317.10028	0.1
329.06485	1.0
329.10184	2.6
330.07288	16.4
331.07538	0.7
344.08643	0.1
345.09637	100.0
346.09979	3.6
477.14056	0.2
507.14890	1.1
534.15826	0.1
639.19092	1.4
660.60364	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	785.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39388	0.0
65.03943	0.1
68.99779	0.1
69.70585	0.3
69.70998	0.1
84.01940	0.0
91.05458	0.2
97.02859	0.4
98.21368	0.1
107.04919	0.2
111.04369	0.1
115.05387	0.1
119.04921	0.4
123.04427	0.4
126.03056	0.1
133.02777	0.1
135.04405	0.1
137.02316	0.1
139.03873	0.1
139.07530	0.1
147.04382	1.9
148.04936	0.1
149.02286	0.1
149.05934	0.1
153.01794	1.2
159.07983	0.1
161.02325	0.2
161.05945	0.2
162.06761	0.1
163.03894	0.9
167.03349	0.1
167.07027	0.8
170.02071	0.3
175.00623	0.1
175.03859	0.1
177.05486	0.2
178.02724	0.5
178.06221	3.8
179.03363	0.4
179.06726	0.1
183.02846	0.2
187.07562	0.1
189.05525	0.1
197.05916	0.1
203.03326	0.1
204.04181	0.3
205.04924	0.1
213.05437	0.2
213.15128	0.1
215.06943	0.1
216.04124	1.0
217.04941	0.6
227.03403	0.2
228.04175	0.2
229.04927	0.1
231.02856	0.2
231.06447	0.7
241.04881	0.7
243.06506	0.6
244.03618	0.8
245.04391	0.2
253.04980	0.1
255.02843	6.7
256.03461	0.3
257.04425	0.1
259.06003	1.6
261.07584	0.2
267.06375	0.1
269.04413	2.0
270.04962	0.2
271.05988	0.3
272.03064	0.3
273.07446	0.1
279.08633	0.3
281.04520	0.5
283.02335	1.6
283.05923	0.7
284.03085	0.5
284.06741	0.5
285.03821	0.2
285.07520	0.2
286.04807	0.1
287.05447	7.2
288.05832	0.2
289.10663	0.2
297.03891	1.9
297.07269	0.1
298.04498	0.3
299.05453	1.2
300.02615	2.6
301.03485	0.1
301.07053	0.4
302.07761	0.2
311.05466	0.4
312.06268	1.1
313.07065	1.0
314.04303	0.1
314.07843	0.2
315.04926	41.6
316.05289	1.7
317.10214	0.1
329.06500	1.0
330.07272	18.9
331.07620	0.9
345.09619	100.0
346.09961	4.8
481.28415	0.1
507.14951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
57.03432	1.1
59.04997	0.2
59.49425	0.1
65.03925	0.7
67.05508	0.2
69.03421	7.5
69.07054	0.4
70.06574	0.2
71.58643	0.3
72.57394	0.2
75.04467	0.3
81.03407	0.3
81.07056	0.4
85.02896	2.7
86.09672	0.6
87.04462	1.8
89.03880	0.2
91.05463	4.2
91.78927	0.2
95.04968	0.2
95.08582	0.2
97.02264	0.2
97.02881	2.8
105.06994	0.4
107.04926	0.2
109.02847	0.3
115.03908	1.5
117.03374	0.5
117.32955	0.2
119.04928	12.3
119.08533	0.7
120.08891	0.2
121.10148	0.2
123.04382	0.2
124.99991	0.4
127.03893	2.6
133.04951	1.2
133.10118	0.9
133.81430	0.2
145.02826	1.5
147.04388	100.0
148.04747	0.8
149.05923	0.2
161.61606	0.2
163.03893	0.2
165.05457	5.4
167.03365	0.4
167.07101	0.3
175.14799	1.7
176.15161	0.7
177.05440	4.2
178.05916	0.5
184.07307	1.9
185.07668	0.3
231.06625	0.3
242.65146	0.2
255.02841	0.4
261.07339	0.2
283.02527	0.2
283.06024	0.3
285.04160	0.2
287.05548	0.7
291.08588	4.7
309.09653	9.8
310.10010	0.4
315.04932	3.4
315.08603	1.6
330.07285	1.7
345.09650	10.0
346.10315	0.2
415.12964	0.3
440.76544	0.2
441.14102	0.2
458.15179	0.4
459.15631	0.3
473.23996	0.2
489.17535	0.4
490.17676	0.7
491.18433	1.0
535.39124	0.2
585.88385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05494	1.6
56.05053	0.4
57.03422	0.7
65.03931	0.4
67.05492	3.7
68.05812	0.5
69.03412	0.9
69.07049	1.7
71.04968	0.4
71.08617	1.1
71.61768	0.6
78.94159	0.3
79.05478	3.6
81.03403	1.3
81.07044	4.1
83.04961	0.5
83.08618	0.7
83.50561	0.3
85.02840	0.7
85.04916	0.3
86.09690	100.0
87.10027	1.0
91.05465	3.4
93.07018	2.9
95.04942	1.2
95.08602	3.1
97.02872	1.0
97.06516	0.7
97.10149	0.4
98.09670	1.9
103.05461	0.8
105.07008	4.1
107.04966	0.7
107.08567	1.7
109.06478	0.8
109.10140	1.4
110.09655	0.4
111.04457	0.4
112.11217	7.1
117.07005	1.2
119.08549	2.2
120.08082	43.5
121.06474	0.7
121.08393	0.8
121.10101	1.1
123.11689	0.5
129.06992	1.0
131.08548	1.4
133.10101	1.4
135.11652	0.5
143.08553	0.8
145.10075	1.6
146.09608	2.2
147.11682	0.8
154.15877	18.4
155.08553	0.7
155.16171	0.4
157.09972	0.3
157.13339	11.5
159.11641	1.1
161.09511	0.4
167.08473	0.4
169.10100	0.7
171.11606	0.5
171.61475	0.4
173.04436	0.5
173.13272	0.7
177.12834	0.3
183.11693	0.5
185.12819	13.7
186.13208	0.4
187.14696	0.4
188.14305	7.3
191.11769	0.7
199.18028	13.9
200.18405	0.4
209.16521	0.9
219.11263	1.5
225.19594	6.7
227.17517	14.9
233.16444	17.1
234.16707	0.4
235.18010	0.4
243.14787	0.5
253.19077	7.6
259.18042	1.9
261.15958	14.9
262.16132	0.5
267.24295	7.0
275.20013	1.0
277.22482	0.6
281.18304	0.4
287.17554	2.7
295.23709	3.3
298.21185	8.2
301.22699	7.8
311.21021	0.6
326.20798	0.4
329.22174	4.3
332.19632	6.2
340.25940	3.1
356.23068	0.6
366.27328	1.9
374.24405	4.3
383.29984	1.5
394.26529	0.4
400.25729	3.3
408.31985	0.7
411.29584	4.6
417.28464	1.4
442.30518	1.4
445.27985	5.2
453.34390	0.7
459.32886	1.1
473.27802	0.4
479.36258	2.0
487.32474	1.9
496.38306	1.0
513.34277	4.0
524.38074	3.2
527.39417	0.4
530.36926	2.5
555.38922	2.0
558.36365	9.0
559.36115	0.6
572.40942	0.9
592.43842	1.3
598.42914	0.8
600.41254	1.8
609.46356	0.6
623.42633	1.0
626.42627	6.4
637.45721	1.5
643.45258	5.0
653.43488	1.0
668.46625	0.9
671.44812	12.6
672.44226	0.6
699.44141	0.4
739.50580	2.9
756.42181	0.4
756.53864	5.0
766.52985	1.6
784.53516	5.4
785.47992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.6
57.07051	2.4
60.08143	2.8
65.03920	2.3
67.05492	5.8
69.03410	2.1
69.06756	0.9
69.07066	11.1
70.06572	2.4
71.05000	1.8
71.07362	1.4
71.58311	0.9
71.58687	1.0
72.33433	0.7
77.03917	1.0
79.05481	11.8
81.03402	3.1
81.07048	13.3
83.04936	1.6
83.08618	4.1
84.08114	1.3
85.02878	2.6
85.06557	0.8
86.09265	0.9
86.09700	12.2
89.03897	3.2
91.05471	11.4
93.03384	2.2
93.07032	19.9
95.04946	2.5
95.08592	23.0
97.02881	42.7
97.06507	1.9
98.98450	1.0
99.08069	3.6
103.05445	2.5
104.10738	4.5
105.07018	49.6
106.07330	0.9
107.08583	27.8
109.02880	1.2
109.06528	1.7
109.10118	2.7
111.04427	0.9
111.08076	0.9
113.09675	3.7
117.03355	8.9
117.06967	1.9
119.04931	2.4
119.08569	60.3
120.08136	0.9
120.08937	0.8
121.02827	0.8
121.06476	1.4
121.10114	4.6
123.04404	2.0
123.08031	0.8
123.11702	4.1
124.99983	8.7
127.03915	1.3
129.06970	2.7
131.04877	1.0
131.08530	3.4
133.10115	69.1
134.10426	1.5
135.11676	34.6
137.05951	1.8
137.09639	4.5
141.06953	1.0
145.02827	31.7
145.10123	1.9
146.10846	0.9
147.04401	9.4
147.11658	5.0
149.02315	2.7
149.05962	3.6
149.13226	1.3
151.03856	1.2
157.06482	2.6
159.08020	1.2
160.12451	1.9
161.05934	1.0
161.13382	1.0
163.03903	1.8
167.03389	26.6
167.04822	1.7
167.07047	2.2
173.03384	0.9
173.13271	1.2
175.14803	100.0
176.15129	1.8
177.05450	87.2
178.06062	4.7
184.07326	35.8
185.05930	0.8
187.07518	1.3
189.05458	1.8
189.09109	3.9
191.07010	1.0
193.15857	5.6
199.07520	2.1
207.06355	1.2
215.06999	1.0
217.08548	3.2
227.06970	2.7
245.08112	5.2
255.02898	5.3
261.07361	0.8
269.04373	1.3
273.07498	2.0
284.06326	0.9
287.05463	4.8
291.08588	24.7
292.09024	0.9
297.03903	1.5
300.02655	1.3
309.09604	7.1
313.06943	1.2
315.04956	35.6
330.07275	14.5
345.09650	78.7
451.23410	1.1
507.14929	22.2
557.14813	9.2
685.48682	0.8
687.25397	1.0
784.31976	1.7
795.52600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
61.02903	1.2
61.92788	0.2
63.02363	0.7
65.03928	0.3
67.05495	0.7
68.99776	1.6
69.03422	1.7
71.01331	0.8
71.61859	0.3
72.92824	0.3
78.04719	0.4
79.05465	0.5
81.03407	1.8
81.07040	0.5
85.02901	0.4
87.00797	0.6
89.03363	0.5
89.03898	7.8
91.05473	1.2
93.06995	0.3
95.04961	0.8
97.02877	1.0
97.06528	0.4
99.04456	0.4
103.05443	1.0
105.03362	0.3
105.07005	0.4
105.32503	0.3
106.04177	0.5
107.04904	0.6
109.02865	5.8
115.05440	0.4
117.03358	24.2
117.06980	0.5
118.03706	0.4
119.04860	0.4
123.04375	0.4
124.05171	0.3
127.03876	0.9
128.06219	0.4
129.01826	1.5
129.06985	1.3
131.04866	1.1
134.03598	1.2
135.04398	2.0
137.05960	1.9
141.06969	0.4
143.08551	0.7
144.05687	0.5
145.02823	61.6
145.06441	0.8
146.03194	0.8
147.02852	1.2
147.04353	0.7
149.04727	0.4
149.05942	9.1
151.03876	0.8
153.06998	0.6
155.04869	0.9
156.05679	0.6
157.06448	1.2
158.06056	0.4
159.04385	0.4
161.05974	0.8
163.03860	1.6
163.07524	0.6
167.03395	1.5
167.07025	0.8
169.06432	1.1
171.04443	0.4
171.08017	1.1
172.05165	1.0
173.05994	0.7
174.06750	0.9
175.03987	0.4
175.07544	0.6
177.05438	100.0
178.06131	4.5
179.03329	0.5
181.06427	0.6
183.04378	0.9
184.03584	0.6
184.05145	0.5
184.07274	0.4
185.05965	1.0
186.05466	2.1
187.07491	1.9
189.05447	1.4
189.09067	0.3
191.06963	0.4
192.04079	0.3
197.04366	0.4
197.05984	0.8
198.06648	0.3
199.07503	2.4
200.02942	0.3
200.04654	1.1
201.05405	1.4
201.09032	0.4
203.06989	0.4
205.05035	0.4
205.08565	0.4
207.06438	0.3
211.03848	0.6
211.07634	0.3
213.03911	0.7
214.06282	0.7
215.06996	6.9
217.05124	0.6
217.08539	2.6
219.06471	0.8
225.05450	0.7
227.06918	0.3
228.04120	0.8
229.04924	0.4
229.08565	1.0
230.05678	1.5
231.06520	1.8
233.08015	3.6
241.04922	0.5
241.08607	0.8
242.05704	0.6
243.06516	4.6
245.08046	1.3
253.05005	0.3
255.06429	0.7
257.08044	4.1
258.05185	1.4
259.05963	0.4
260.14392	0.3
261.07541	31.9
262.07739	0.4
269.04379	5.7
270.05142	0.4
273.07526	2.4
283.02689	0.3
283.05978	1.9
285.07538	8.2
286.04666	1.1
295.05920	0.5
297.03864	1.2
297.07047	0.4
298.04611	0.7
298.08206	0.4
299.05426	0.4
299.08884	0.4
301.07025	9.6
303.08603	7.4
303.12057	0.7
311.05502	1.5
312.06213	0.4
313.07007	1.1
314.04221	3.1
315.04810	0.3
315.08395	0.6
321.09412	0.6
326.07834	1.5
327.08524	1.0
329.06506	43.5
330.07028	1.2
343.08191	1.6
344.08850	16.1
345.09332	1.1
359.11191	93.2
360.11563	2.3
389.08368	0.6
407.09656	3.5
425.10684	5.2
524.07257	0.3
563.29828	0.3
624.12250	0.3
741.20410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.2
55.05499	11.0
57.03429	26.6
57.07065	26.8
65.03928	4.9
67.05099	3.4
67.05496	64.7
69.03432	3.0
69.07072	10.2
71.04982	3.5
71.08627	18.0
71.66032	2.4
79.05485	36.0
80.08814	2.0
81.03391	3.7
81.07045	32.4
83.04960	2.2
83.08592	9.1
85.06538	13.5
85.10159	9.5
86.09701	7.2
91.05474	21.9
93.07033	22.9
95.04955	67.2
95.08593	26.1
97.06498	3.9
97.10159	6.0
105.04462	2.1
105.07026	22.8
107.04946	8.9
107.08569	16.2
109.05753	3.2
109.06499	62.5
109.10136	9.2
111.08002	2.5
113.05988	32.2
117.07015	8.7
119.08528	10.4
121.06502	7.5
121.10147	5.5
123.08048	5.4
124.99973	4.9
128.06210	4.6
129.07019	5.8
131.08554	17.9
133.06549	3.5
133.10136	6.5
135.08034	53.2
135.11691	5.0
143.08533	9.6
145.06534	3.1
145.10077	11.3
147.08031	5.4
147.11639	2.4
149.09648	6.4
157.10110	6.2
159.08005	3.1
159.11674	5.7
161.09595	8.5
163.11177	2.5
171.11641	3.3
173.13173	2.7
175.11229	4.0
177.12697	4.7
183.11662	2.4
184.07312	19.4
185.07639	2.1
199.14787	4.2
217.14096	2.4
217.15825	12.4
227.17920	3.1
255.17436	3.2
273.18478	38.7
291.19510	100.0
292.19727	4.2
295.25079	2.3
313.27344	53.4
347.22171	13.1
365.23187	13.8
545.41467	3.3
585.45203	13.2
603.46100	71.7
604.45795	6.4
783.48132	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	783.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.98195	0.2
59.65969	0.2
61.02914	1.2
63.02367	0.6
66.25600	0.2
66.62166	0.2
67.05506	0.2
68.99778	1.6
69.03151	0.2
69.03423	1.8
70.15250	0.6
70.15662	0.4
71.01353	0.7
72.50773	0.2
73.22959	0.2
78.04696	0.3
80.02146	0.2
81.03402	1.3
85.02915	0.2
87.00814	0.6
89.03901	8.5
91.05469	0.8
95.04954	0.5
97.02872	0.9
98.21439	0.3
99.04449	0.4
103.05450	0.6
106.04138	0.5
109.02867	5.5
111.04382	0.2
115.05408	0.2
117.03361	25.8
118.03655	0.5
119.04922	0.3
121.06428	0.2
122.74937	0.2
123.04473	0.4
124.05171	0.5
127.03878	1.2
128.06189	0.6
129.01820	1.8
129.04492	0.2
129.06995	1.0
131.04886	1.1
133.06444	0.3
134.03600	1.9
135.04393	2.2
137.05956	1.1
141.06917	0.4
143.08556	0.5
144.05672	0.5
145.02826	73.0
146.03131	1.3
147.02879	1.2
147.04042	0.2
147.04332	0.2
149.05959	9.5
151.03865	0.8
153.06993	0.4
155.04880	0.8
156.05663	0.5
157.06459	1.2
159.04398	0.2
161.05928	0.7
163.03867	0.7
163.07579	0.4
167.03415	0.8
167.07059	0.4
167.08412	0.2
168.05685	0.3
169.06482	0.7
171.08075	0.8
172.05182	0.9
173.05997	0.7
174.06721	0.9
175.03819	0.3
175.07539	0.7
177.05443	100.0
178.05867	3.4
179.03371	0.5
181.06476	0.5
183.04378	0.7
184.05174	0.6
185.05933	1.1
186.05472	2.1
186.06860	0.3
187.07491	2.5
189.05434	1.1
189.09082	0.3
191.07001	0.6
193.04979	0.3
195.06517	0.4
197.05960	0.7
199.07526	1.8
200.04655	0.6
201.05402	1.8
202.06169	0.3
203.06940	0.4
205.08540	0.4
209.06012	0.3
211.03842	0.4
213.03940	0.7
213.09120	0.3
215.06995	6.3
216.07289	0.2
217.08531	2.3
219.06589	0.3
225.05489	0.7
228.04140	0.3
229.05032	0.4
229.08546	0.9
230.05682	0.8
231.06490	1.4
233.08047	3.8
239.07001	0.3
241.04858	0.3
241.08575	0.7
242.05797	0.6
243.06485	4.4
243.08839	0.3
244.06889	0.3
245.08102	0.7
253.04890	0.3
255.06514	0.5
257.08072	3.2
258.05313	0.5
261.07544	32.6
262.07941	1.2
269.04428	3.0
273.07504	1.4
283.05911	0.7
285.07541	7.2
286.04694	0.7
297.03897	0.7
298.04663	0.4
301.07059	4.0
303.08612	7.1
303.12061	0.2
304.09000	0.3
311.05466	0.8
313.07092	0.5
314.04135	1.8
321.09665	0.8
326.07803	0.4
327.08673	0.4
329.06509	19.2
330.06851	0.8
343.08191	0.5
344.08862	6.4
345.09460	0.4
359.11197	42.7
360.11459	2.4
371.07419	0.2
389.08527	0.7
407.09647	4.2
407.14749	0.3
408.09903	0.4
425.10730	8.0
426.11295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
56.15087	0.6
57.03424	2.9
59.04985	1.2
61.02925	5.8
62.31334	0.6
63.27105	0.5
67.05496	6.6
67.20521	0.5
69.03411	2.8
69.07055	1.4
71.01347	0.8
71.04989	1.3
71.58640	0.8
73.02912	5.1
75.72160	0.6
79.05477	4.3
81.03412	2.4
81.07038	4.9
83.04937	0.5
83.08629	1.2
85.02892	5.6
87.04455	0.8
91.03930	2.9
91.05447	3.4
93.07036	4.1
95.04950	1.0
95.08610	3.4
97.02886	4.5
99.04472	0.7
101.02381	2.3
103.03903	0.8
105.07041	2.3
107.08582	2.6
109.02855	1.1
109.06499	0.6
109.10143	1.7
117.07011	0.8
119.08607	1.7
121.10149	2.5
127.03860	0.7
129.06973	0.9
131.08551	1.8
133.10101	1.7
135.11710	1.1
144.73087	0.6
145.10080	0.9
147.11638	0.6
149.09605	1.2
157.10216	0.8
162.65018	0.5
185.04202	1.1
193.12407	0.7
221.34813	0.6
243.08420	1.8
283.15219	4.2
335.25726	1.5
501.22913	5.5
519.29089	8.3
779.45374	100.0
780.45770	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	780.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05502	2.3
57.03435	1.3
57.49433	0.7
64.51201	0.7
65.03958	0.8
67.05507	4.5
69.03406	1.0
69.07070	2.0
70.06587	1.4
71.04984	0.9
71.62054	1.1
79.05489	4.3
81.03403	1.8
81.07043	5.2
83.04961	1.1
83.08607	0.9
85.02905	0.8
86.09715	1.1
91.05465	4.0
93.07038	3.9
95.04957	1.4
95.08613	2.2
97.02887	1.0
97.06547	1.5
102.29047	0.6
105.07024	3.8
107.04946	0.9
107.07899	0.7
107.08574	3.8
109.06489	0.7
109.10147	1.6
112.17980	0.8
117.07006	1.3
119.08594	3.1
121.10109	1.4
125.00076	0.8
127.03902	0.7
131.08592	1.5
133.10118	2.4
143.08553	1.0
145.10141	0.8
147.04408	0.8
147.11671	1.6
149.05984	3.0
151.07555	2.1
157.10101	1.0
159.11731	1.4
161.05994	1.1
161.13307	0.8
173.06029	0.8
177.05507	3.1
178.06227	1.3
181.08643	0.9
184.07387	4.5
185.07701	0.8
191.03418	2.5
191.06950	6.7
200.07288	0.8
205.04953	6.4
218.08119	1.5
244.06003	1.1
246.07700	3.0
257.04544	1.1
271.05966	1.0
275.20215	2.9
276.20593	1.1
283.06458	0.9
312.06497	0.9
315.05087	3.1
315.08676	0.8
330.07401	2.5
332.09213	0.9
344.09039	1.0
345.09821	3.7
346.07153	1.1
347.07999	0.9
349.23642	1.2
356.08997	0.7
357.40930	0.9
360.08801	1.7
361.10303	1.1
362.06235	1.3
362.10306	2.1
363.07526	1.2
364.08374	2.3
372.08908	1.1
374.06451	1.2
376.07809	1.8
376.12061	1.7
377.04892	0.8
378.09900	3.1
388.08359	1.5
390.09778	8.0
391.10553	1.4
392.07513	7.7
394.12979	2.6
404.11185	5.4
405.12201	1.2
406.09198	13.7
406.13101	11.6
407.09756	2.5
408.10416	1.1
418.12851	1.0
419.14130	0.9
420.10468	1.3
421.11569	2.2
422.12308	20.8
423.13162	0.8
436.13831	17.0
437.14526	8.2
438.15302	1.8
487.19690	1.0
488.19641	1.0
704.16687	0.9
734.22485	1.0
762.22003	10.0
762.35425	1.2
762.40265	0.9
779.41412	3.6
780.22772	100.0
780.40887	4.5
781.09088	1.2
781.22943	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	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94841	3.3
55.01863	7.0
55.05511	33.8
56.02574	2.4
57.03427	17.0
57.07056	3.4
65.03933	6.5
67.05499	83.2
69.03082	2.8
69.03410	12.9
69.07061	25.9
71.04998	9.1
71.58457	4.9
79.05484	69.3
80.05804	3.8
81.03408	53.2
81.07049	84.0
81.82498	3.1
82.07420	3.6
83.04958	11.6
83.08617	24.8
85.02905	10.4
85.06548	6.8
86.09688	16.9
91.03927	3.4
91.05465	59.9
91.05986	5.0
93.07039	73.1
95.04948	26.6
95.08599	42.2
97.02883	10.6
97.06507	14.8
97.10151	17.1
103.03976	3.1
103.83570	2.7
105.07023	54.3
106.07358	2.6
107.04954	12.4
107.08579	38.6
109.06517	12.7
109.10130	21.2
111.08079	9.5
115.05453	11.6
117.07011	23.9
119.08570	43.4
121.06482	7.1
121.10129	32.3
123.08041	6.8
123.11720	8.7
124.99982	7.3
125.09586	12.9
128.06207	3.6
129.06979	18.2
131.08553	33.2
133.06468	3.1
133.10109	32.8
135.08054	10.8
135.11700	17.0
137.05992	8.1
137.09599	6.5
142.07768	3.7
143.08560	14.2
145.06526	4.5
145.10121	23.5
147.08009	5.1
147.11662	28.0
149.09637	9.8
149.13271	11.2
155.08530	5.8
157.10118	23.7
159.11650	22.6
161.06081	3.8
161.09651	5.2
161.13226	10.8
163.11133	6.7
167.08562	3.5
169.10207	7.9
171.11694	13.1
173.09627	3.4
173.11884	3.4
173.13289	12.1
175.11177	9.6
175.14810	3.3
177.12747	3.8
183.11707	7.5
184.07341	49.1
185.13356	6.2
187.13257	3.7
187.14754	6.5
189.11177	7.1
193.12257	12.2
197.13289	7.8
199.14824	4.5
211.13315	8.4
213.08923	3.0
215.17967	3.8
227.12761	8.6
229.14333	3.7
239.10596	15.1
241.19446	4.7
243.15808	6.3
259.20557	20.2
267.15887	22.6
269.17465	11.7
273.18756	3.9
275.20078	9.6
276.20303	3.0
285.16855	5.7
287.18402	6.8
291.19452	4.2
293.20816	3.0
299.23648	6.9
333.24133	8.8
349.23651	5.9
403.24872	3.9
433.31079	10.2
435.27521	5.5
437.29086	9.5
451.32181	8.3
463.30038	6.3
469.33115	11.5
481.31326	5.4
487.34222	4.3
507.34613	3.9
517.35205	9.1
525.35730	45.7
526.35364	3.7
543.36774	100.0
544.37274	5.9
561.37799	39.1
587.51099	3.3
776.38617	4.4
777.26947	4.5
777.40314	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	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.5
55.05506	42.0
57.03431	16.9
57.07064	3.3
59.04982	3.2
61.02906	4.1
65.03921	3.3
67.05497	100.0
68.05849	1.1
69.03423	3.9
69.07060	16.3
69.90157	3.8
69.90589	3.4
71.04979	3.8
73.02904	1.6
74.72918	1.0
79.05486	48.6
81.03410	6.7
81.07047	66.5
83.04974	7.0
83.08608	17.6
85.02889	16.0
85.06529	3.3
87.04445	8.7
91.03941	1.9
91.05474	25.7
93.07034	45.3
95.04964	7.4
95.08597	43.5
97.02868	3.3
97.06519	2.7
97.09583	1.8
97.10166	25.2
98.21346	2.1
99.08080	1.0
103.03907	1.7
105.04462	1.4
105.07021	16.5
107.04947	2.5
107.08584	29.9
109.06489	2.0
109.10146	63.2
111.04437	2.0
111.08088	5.0
111.11702	1.2
117.06995	6.7
119.08565	15.7
121.06473	1.4
121.10126	22.4
123.08071	2.5
123.11690	5.5
125.09622	23.3
129.06973	2.3
131.08557	12.2
133.10114	10.5
135.08005	1.7
135.11671	13.4
135.51637	1.0
137.09601	3.9
137.13303	1.9
139.11131	2.6
141.38553	1.1
142.17242	1.1
143.08499	2.2
143.10645	4.0
145.10110	12.2
147.07996	1.4
147.11638	6.8
149.09613	1.7
149.13223	7.0
151.11102	1.2
155.08553	1.6
155.10640	4.6
157.10138	1.8
159.11659	7.4
161.13251	6.0
161.16290	1.4
163.11069	5.3
163.14828	3.6
169.12262	1.4
171.11693	1.7
173.09552	2.0
173.10254	1.4
173.11713	16.4
173.13255	5.6
175.11147	1.5
175.14789	1.8
177.12816	1.1
181.12202	2.2
183.11816	1.1
185.13283	2.4
187.14819	2.3
189.11218	1.6
193.12230	2.9
199.13258	12.8
199.14870	1.7
209.11693	3.6
211.13132	1.2
217.14285	2.4
223.14781	1.1
227.12811	7.1
229.14330	53.2
243.12471	1.0
243.21082	3.5
245.13715	2.5
259.20496	2.2
261.22110	19.3
267.15808	5.3
289.21466	2.6
301.16425	16.7
309.21960	1.2
315.23309	1.8
317.24762	2.5
333.24329	1.2
335.25778	82.3
336.26169	4.4
363.25369	2.7
433.30893	1.6
459.34509	3.0
477.35660	11.5
489.35605	19.0
543.36407	4.0
561.37695	8.6
579.38721	2.6
695.41150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.8
55.05503	41.8
57.03164	1.4
57.03427	16.9
57.07059	4.0
59.04982	3.2
61.02900	3.2
65.03918	4.2
67.05493	100.0
68.05856	1.2
69.03414	3.6
69.07053	19.7
70.90408	2.3
70.90739	2.0
71.04965	4.3
73.02856	1.5
79.05479	43.1
81.03408	6.3
81.07043	56.5
83.04958	4.8
83.08607	14.8
85.02884	16.5
85.06499	2.5
87.04458	7.0
89.05999	5.7
91.03931	2.0
91.05467	24.3
93.07028	41.2
95.04963	6.8
95.08592	40.4
95.09202	2.0
97.02869	5.6
97.06522	4.0
97.09578	1.8
97.10154	20.5
99.08098	1.7
100.42605	1.1
103.03928	1.4
105.07008	16.6
107.04913	1.5
107.08574	25.7
109.06483	3.2
109.10140	55.4
109.69415	1.0
111.04402	1.1
111.08038	3.4
114.05518	2.3
117.07020	8.2
119.08560	16.6
121.06486	2.3
121.10123	19.8
123.08060	4.0
123.11672	3.2
125.09611	23.9
126.09956	1.1
129.05383	1.2
129.06976	2.9
131.08562	11.7
133.08606	3.7
133.10089	10.5
135.07986	1.4
135.11679	12.6
137.09584	4.2
139.11119	2.2
143.08548	2.1
143.10612	3.3
145.10104	11.7
147.11681	6.2
149.09633	1.7
149.13202	6.1
153.12794	1.3
155.08559	1.1
155.10669	3.2
157.10191	2.1
159.10489	1.2
159.11653	5.9
161.13268	5.9
161.14362	1.2
163.11130	5.4
163.14729	2.1
167.08643	1.2
171.11705	2.4
173.11697	15.0
173.13237	6.1
175.14812	2.5
181.12189	1.5
185.13193	1.2
187.14792	2.6
189.11154	1.5
191.10629	1.5
193.12129	1.6
199.13214	9.3
199.14806	1.6
209.11703	3.3
212.33786	1.2
217.14218	1.4
227.12724	8.8
229.12032	2.7
229.14304	50.5
230.14740	1.5
243.21039	5.2
245.13756	2.9
259.20609	1.4
261.22098	14.4
267.15826	5.6
277.21466	1.9
283.15424	3.5
301.16400	19.0
315.23132	1.8
317.24777	3.1
327.23218	2.4
335.25760	71.3
336.26028	3.2
395.85968	1.1
432.34088	1.2
477.35745	8.8
489.35782	13.2
543.36389	3.8
561.37616	9.0
568.84851	1.3
594.84778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05502	21.0
55.63843	1.1
57.03168	1.7
57.03429	19.6
57.07061	2.6
61.02916	1.7
65.03922	3.7
67.05495	68.4
69.03426	3.4
69.07061	13.2
69.26988	15.2
71.04967	3.6
79.05028	2.5
79.05482	44.5
81.03406	100.0
81.07046	62.4
83.04961	6.7
83.08604	23.7
83.87457	1.2
85.02890	1.3
85.06546	3.5
86.81122	1.2
91.05470	36.4
93.07032	50.1
95.04953	29.0
95.05527	2.4
95.08595	48.5
97.02867	4.1
97.06507	4.2
97.09612	1.3
97.10132	9.1
105.07013	31.2
107.04931	6.6
107.08582	28.5
109.06512	5.8
109.10148	20.5
111.04403	2.2
111.08091	7.4
117.07025	9.1
119.04914	1.4
119.08569	26.2
121.06499	5.3
121.10125	26.1
123.08037	4.0
123.11684	7.0
125.09633	3.9
125.77425	1.2
129.06981	9.1
131.08545	20.0
133.06496	3.4
133.10106	15.9
135.07990	2.1
135.11664	12.5
137.09598	3.6
137.13275	2.6
142.07755	1.8
143.08562	2.7
145.10104	11.2
147.08057	4.0
147.11678	14.1
149.09613	5.7
149.13219	6.8
157.10101	10.9
159.11658	9.7
161.13292	6.3
163.11145	2.1
163.14790	4.4
165.12733	2.4
169.09981	1.8
171.11589	2.3
173.09538	1.4
173.13217	6.3
175.11176	9.1
175.14807	1.4
177.12634	1.7
185.13286	3.1
187.14755	4.0
189.11147	3.2
193.12218	26.1
205.12248	1.3
205.15829	1.4
211.13242	2.2
212.63869	1.2
227.12733	5.4
243.21083	6.0
243.94720	1.2
249.14899	3.0
259.13306	1.7
260.96835	1.2
261.22107	20.3
267.15878	99.3
268.16248	1.5
279.23199	2.1
301.14462	2.3
301.25134	6.2
309.16833	2.9
317.24734	5.1
318.54764	1.3
335.25754	98.4
336.26053	2.4
408.17114	1.6
414.18869	1.3
417.31329	2.2
421.25589	1.8
435.27106	1.4
435.32437	3.5
453.33527	8.7
471.34720	4.1
527.37225	63.7
528.37555	4.1
545.38251	40.7
546.38519	3.4
569.38000	4.9
701.75146	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	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.8
55.05503	28.2
57.03428	13.2
57.07059	3.9
61.02920	4.2
65.03915	4.6
67.05494	78.7
69.03421	3.9
69.07056	20.4
71.04980	40.0
71.08609	2.3
71.59200	3.3
79.05478	54.5
81.03394	6.6
81.07047	100.0
83.04957	6.5
83.08608	14.8
85.02883	2.6
85.06558	10.3
91.05462	65.4
93.07030	61.6
95.04948	8.1
95.08597	37.4
97.02834	4.8
97.06525	10.1
97.10152	5.7
99.08074	2.9
100.45180	2.2
101.35147	1.9
105.07014	65.4
107.08575	35.4
109.06491	5.2
109.10134	16.9
111.08064	3.6
112.99235	2.1
117.07001	20.5
119.07755	3.9
119.08562	45.4
119.59260	2.0
121.06565	2.1
121.10115	21.4
123.11713	15.5
125.09606	7.4
129.07033	9.9
129.07861	2.0
131.08557	28.8
133.10114	44.5
135.11665	18.5
139.11150	2.5
143.08546	11.7
145.10104	25.2
147.11661	24.6
149.13248	11.6
151.11159	8.9
153.12665	3.1
153.69774	2.1
155.08543	4.2
157.10129	11.5
159.11658	22.7
161.13243	13.2
163.11244	2.6
169.10114	4.2
171.11623	13.8
173.13220	10.2
175.14749	6.7
177.12692	5.6
183.11700	3.0
183.13780	2.7
185.13225	8.2
187.13194	2.8
187.14771	5.0
193.12274	2.2
195.11713	3.7
195.13771	3.4
197.13278	4.7
197.26743	2.4
199.14754	3.0
200.07689	2.1
201.14847	5.5
209.13101	3.0
211.14883	2.3
223.14714	2.4
231.21098	3.0
241.19463	7.5
257.17294	4.3
259.20590	25.9
261.22217	2.6
267.15738	2.7
269.17401	6.6
297.22202	3.6
301.20105	24.1
315.23114	9.3
333.24219	30.9
335.25769	4.8
341.24902	3.5
409.30948	2.8
420.25934	2.4
427.32123	2.6
435.32416	8.1
464.60083	2.3
469.14572	2.1
483.34601	7.7
501.28513	4.4
501.35666	78.8
502.35703	5.3
503.37115	2.9
509.35910	3.6
527.37268	55.3
528.37543	2.8
533.38129	7.7
545.38269	8.7
559.40057	21.4
774.41229	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	775.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
65.03924	1.5
67.05477	0.9
68.99741	0.3
69.03413	1.5
69.27200	4.4
81.03395	0.4
85.02894	2.2
91.05493	1.7
93.03406	2.0
94.04177	0.8
95.04960	0.5
97.02879	35.4
98.21497	0.7
103.05396	0.6
105.07012	0.7
109.02847	1.2
109.06512	0.5
115.05457	1.2
117.03328	0.9
117.07038	0.5
119.04929	0.8
121.02852	0.7
121.06434	0.5
122.03626	1.5
127.03898	100.0
128.04228	1.3
128.06224	0.4
130.04155	0.6
131.04901	1.3
132.05711	0.4
133.06450	1.1
135.04390	0.4
137.05954	28.6
138.06335	0.5
143.04901	1.0
145.02852	1.5
145.06454	2.3
146.03560	0.5
147.04416	1.6
147.08063	0.7
149.02370	1.8
149.05983	1.0
151.03876	1.7
153.06857	0.5
155.04869	0.6
158.03671	1.4
160.05202	0.4
161.06010	2.2
162.06697	0.8
163.07558	0.6
167.03381	11.0
167.07074	1.1
169.06436	0.7
173.05934	3.7
174.06395	0.4
175.07605	1.1
177.05482	4.2
177.06859	0.6
178.05830	1.1
178.07718	0.7
181.04982	0.6
181.06488	1.0
186.03098	1.2
187.07561	1.0
189.05453	0.6
189.07042	0.9
191.06996	0.8
197.05989	0.4
199.07571	0.4
201.05441	18.1
202.05815	0.4
203.03389	0.5
203.06981	0.8
204.04112	2.2
205.04730	0.4
205.06488	1.5
206.07220	1.3
207.06493	1.5
209.05923	0.5
211.07518	0.8
213.05467	1.8
213.09074	0.8
215.07045	1.1
217.06557	0.6
218.07245	0.8
219.06458	7.5
219.08398	0.6
221.06001	1.2
221.08083	3.0
222.06747	0.6
223.07449	0.5
227.06990	0.9
231.06445	5.1
232.06985	0.6
233.05923	1.6
233.08067	1.5
234.06732	3.8
235.07460	1.7
237.05360	0.4
237.09081	0.9
241.08502	0.9
245.06004	1.3
246.06665	0.6
247.07632	0.5
248.08223	0.6
249.09079	1.3
250.06271	1.2
251.06892	2.0
252.07909	0.6
253.08481	0.5
261.05496	0.9
261.08984	0.5
262.06180	5.5
263.06924	1.6
265.08566	1.8
266.09323	0.7
269.07993	1.9
272.10358	1.0
273.05505	1.8
274.06174	0.9
276.07837	0.9
277.08594	5.6
278.05911	0.5
278.09097	0.7
279.06580	0.8
280.07309	0.6
281.08029	0.6
284.10385	0.9
287.06918	1.0
289.05750	0.5
289.09125	4.7
290.05688	8.9
290.09073	0.6
291.06287	0.6
291.09769	0.4
292.07220	1.2
293.07962	2.4
294.08728	1.1
295.09900	0.9
297.07712	1.0
303.04889	3.3
304.05087	1.7
305.08096	13.7
306.08435	1.2
307.06274	0.6
307.09625	2.1
309.07526	0.8
309.11148	0.9
310.08591	0.4
315.08911	1.2
317.11606	0.4
319.09537	1.4
321.07574	1.0
322.08353	1.4
323.09006	0.4
325.10651	7.8
326.10898	0.4
331.09607	0.6
335.09186	0.7
336.09845	0.6
337.10657	32.0
338.10977	1.6
345.09930	0.5
349.10815	0.6
353.10001	0.8
355.11752	10.1
356.12030	0.5
361.10608	0.6
375.12277	0.7
393.13333	2.8
403.11780	1.2
405.13220	2.4
415.11597	0.8
419.11099	1.1
421.12766	3.3
433.12759	2.1
439.13852	5.8
440.14502	0.4
451.13821	3.1
452.14438	0.5
469.14648	1.0
487.15997	1.9
656.26007	0.4
706.20471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.6
55.05505	37.3
56.65478	1.7
57.03431	25.8
57.07064	3.2
61.02903	5.3
65.03918	6.2
67.05495	91.6
69.03419	14.3
69.07059	37.6
70.06017	8.5
70.85769	2.1
71.04984	9.3
73.02903	2.5
74.52045	1.8
79.05032	3.0
79.05483	66.5
81.03409	83.8
81.07045	100.0
82.07365	2.4
83.04977	28.9
83.08604	36.8
85.02894	37.8
85.06522	5.9
91.05466	75.7
93.07034	69.3
95.04958	46.5
95.08007	2.9
95.08591	39.6
97.02863	10.0
97.06516	22.6
97.10181	14.0
99.04451	2.6
99.08038	4.1
103.05450	2.2
105.06339	3.9
105.07016	58.0
107.04929	16.5
107.08576	43.0
109.02825	2.9
109.06534	10.6
109.10139	13.3
111.04401	4.1
111.08069	16.1
113.06004	2.9
115.05402	2.5
116.06190	2.6
117.07005	17.7
119.08563	46.5
120.08892	1.9
121.06487	7.0
121.10117	27.6
123.08031	8.1
123.11674	4.4
125.06024	1.8
125.09618	6.9
127.03909	3.7
129.06958	18.3
131.08543	32.0
133.06500	6.2
133.10110	33.1
135.08031	9.6
135.11687	14.3
137.05975	2.0
137.09622	6.0
141.06926	3.9
142.07738	4.1
143.08504	4.4
145.10103	17.9
147.08026	6.0
147.11676	28.5
149.09590	18.7
149.13231	13.7
151.11147	4.1
155.08609	2.1
157.10081	18.3
159.11670	12.1
161.89374	2.2
163.11172	10.5
165.12766	4.9
169.10117	2.6
171.11702	3.7
173.04402	2.2
173.09570	2.5
173.13234	3.7
175.11186	14.6
177.12691	3.0
185.13210	4.2
189.11191	2.3
193.10544	4.0
193.12224	53.8
195.13741	6.7
197.13196	2.9
211.13261	73.2
212.13617	2.6
227.12737	6.7
229.19559	2.1
238.87497	2.0
253.14426	2.2
255.15800	9.2
257.19006	6.3
267.15872	35.5
269.17429	38.2
273.18344	3.4
275.20001	27.4
285.16931	60.7
345.09674	3.8
346.09695	2.3
349.23706	24.6
350.24091	2.2
352.35992	1.9
367.24850	3.7
387.25754	2.6
439.26804	3.4
443.27850	4.0
447.27298	7.2
448.27344	2.8
461.28952	36.6
462.29117	2.4
465.28458	17.8
479.30002	81.4
480.29956	5.8
541.35187	11.1
559.36383	26.2
577.36993	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.9
55.05504	44.2
57.03198	2.2
57.03432	21.2
59.04988	2.5
61.02913	4.8
64.51147	1.7
65.03951	2.4
67.05494	94.1
69.03413	15.3
69.07059	45.6
70.06588	2.0
71.04964	9.6
71.61966	3.5
73.02886	1.8
73.41397	1.8
75.46407	1.8
77.03919	1.5
79.05482	89.5
80.05796	2.3
81.03407	84.3
81.07045	100.0
82.07359	2.3
83.04967	32.8
83.08604	46.4
85.02893	37.4
85.06538	8.0
86.56535	1.6
91.05467	92.8
93.07032	70.3
95.04956	42.8
95.05502	1.4
95.08592	41.5
95.94923	1.7
97.02878	13.8
97.06520	31.9
97.10154	25.1
99.04462	3.7
99.08097	4.2
105.04517	4.0
105.07015	69.7
107.04926	17.9
107.05471	1.6
107.08578	57.1
109.02901	4.2
109.06487	13.9
109.10131	20.7
111.04431	3.8
111.08069	18.1
113.05979	6.4
115.05440	3.7
117.07012	22.6
119.04962	2.9
119.08559	54.8
121.06499	9.0
121.09270	2.7
121.10125	30.7
123.08070	6.8
123.11693	7.1
125.06034	3.0
125.09624	22.0
127.03904	7.8
127.07557	2.9
128.06284	2.3
129.05473	3.0
129.07007	22.3
131.08540	35.1
133.06525	4.5
133.10107	41.4
135.08081	8.3
135.11708	13.2
137.09587	7.9
139.11102	2.3
141.06972	3.3
142.07773	7.0
143.08557	6.6
145.06459	2.3
145.10091	26.1
147.08038	6.9
147.11659	37.2
149.09605	26.4
149.13235	10.9
151.07526	2.0
151.11174	2.3
153.09087	2.0
155.08569	3.2
157.10103	22.9
158.70985	1.8
159.08070	1.9
159.11688	18.1
161.09631	2.7
161.13277	5.4
163.11143	15.6
163.14743	2.7
165.05695	1.8
165.12729	8.0
166.74057	1.9
169.10106	4.1
171.10217	3.3
171.11656	5.4
171.13786	3.1
173.04445	3.1
173.09602	2.6
173.13185	8.2
175.06114	1.8
175.11153	23.7
177.05386	2.7
177.12697	5.3
179.14226	4.1
181.12297	2.6
183.08037	1.7
183.11760	4.8
187.11205	3.1
189.11179	11.3
189.12733	2.6
193.12209	64.6
195.11827	2.2
195.13828	5.1
197.13206	2.4
205.12323	2.2
211.13257	84.9
227.12753	36.3
228.12964	2.4
229.14325	2.7
229.19493	2.4
236.12038	2.2
239.17976	4.2
247.20631	2.5
249.14766	3.3
251.16537	1.9
255.15804	10.2
257.18979	15.1
259.20712	4.0
267.15900	40.7
269.17465	25.4
275.20029	53.9
275.23068	3.0
276.20462	2.8
285.16949	78.3
286.17313	1.7
293.21133	5.9
315.04926	4.2
331.22720	5.7
344.27237	1.8
345.09698	7.4
346.10037	6.4
349.23685	46.9
355.22504	1.9
367.24731	3.3
370.88367	2.1
381.22473	2.4
403.19650	2.2
413.21677	1.9
431.30472	1.8
437.24902	2.6
439.26529	2.9
443.27921	2.3
447.27298	8.1
455.26263	3.6
461.28955	24.3
463.30682	3.1
465.28281	14.8
479.29977	60.3
480.30753	2.4
496.32837	2.2
519.33008	4.3
523.33997	4.0
541.35144	26.5
542.35370	2.0
559.36261	65.1
560.36664	5.8
577.37012	10.1
584.19855	2.2
623.32825	1.9
756.23920	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.7
55.05499	40.7
57.03426	25.0
61.02917	4.2
65.03931	3.8
67.05495	89.1
68.05819	2.0
69.03413	14.9
69.07059	42.2
70.07369	2.2
71.01321	1.8
71.04975	11.8
71.62098	3.0
72.11014	1.4
73.48425	1.6
79.05479	78.0
80.05816	2.5
81.03403	100.0
81.07043	93.4
82.03754	1.9
83.04964	23.3
83.08610	45.5
85.02891	30.4
85.06532	6.3
91.05468	76.9
91.06046	3.7
93.06433	3.9
93.07027	72.9
95.04953	51.3
95.08589	42.3
95.09200	2.6
96.08932	2.6
97.02874	9.9
97.06518	25.1
97.10155	15.5
99.04462	3.8
99.08073	2.7
103.05460	2.2
105.07017	62.2
106.07316	2.6
107.04945	13.6
107.08578	40.5
107.09251	3.1
109.02903	2.3
109.06509	12.8
109.10143	17.2
110.20990	1.6
111.04443	5.9
111.08075	15.3
111.33260	1.9
113.05988	3.6
115.05421	3.9
117.06994	22.7
119.04874	1.6
119.08564	52.7
120.08945	2.1
121.06487	8.0
121.10122	30.1
123.04423	2.0
123.08028	8.5
123.11687	6.8
125.09618	14.0
127.03885	4.1
128.06172	1.9
129.05476	2.0
129.06981	15.5
131.08559	32.1
133.06458	6.3
133.10112	36.1
135.08076	8.7
135.11673	17.5
137.09570	6.3
141.06914	2.9
142.07780	4.1
143.08548	6.4
145.02766	3.0
145.10100	27.5
146.10469	2.2
147.08073	4.8
147.11662	29.4
149.05898	2.0
149.09608	20.6
149.13242	11.9
151.11176	4.7
153.12708	3.6
155.08531	3.8
157.10115	19.9
159.11676	15.3
161.13263	7.4
163.11127	15.7
165.12764	7.3
169.10144	4.9
171.11650	4.1
173.04439	3.1
173.09645	2.8
173.11784	3.2
173.13248	6.6
175.11183	18.9
177.05472	6.2
177.12752	5.7
178.05962	1.8
181.12224	1.9
183.11617	3.0
184.07367	2.9
185.13275	3.1
187.11124	2.0
189.11176	6.7
189.12683	1.8
193.12221	59.4
195.13757	5.5
197.13240	3.2
203.14412	2.5
205.12305	2.1
211.13260	80.4
213.14708	2.0
227.12756	28.8
228.13206	4.9
229.14360	4.0
239.17957	3.0
241.19479	3.2
255.15836	8.6
257.18979	10.6
259.20673	3.2
267.15872	34.0
268.16071	3.4
269.17416	22.0
273.18436	2.1
275.20020	35.8
276.20309	4.6
283.15323	5.9
284.15704	2.3
285.16919	65.6
291.19629	3.4
293.21085	4.5
301.16647	2.6
315.04984	3.2
331.22656	3.1
333.24225	1.7
345.09778	4.8
346.09851	3.8
349.23654	45.6
350.24121	2.7
367.24600	3.9
421.26105	2.7
439.26917	3.6
443.27844	2.2
447.27386	7.3
449.30313	3.3
455.26105	5.6
461.28854	18.6
463.30411	5.3
465.28281	16.4
466.28452	2.2
467.31293	3.1
477.28409	3.0
478.27994	2.0
479.29987	74.1
480.30353	5.3
519.33081	2.4
541.35162	34.0
542.35376	2.6
559.36230	66.2
559.45160	3.4
560.36273	4.0
577.36963	7.4
623.34064	5.2
769.90472	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.3
55.05502	20.0
57.03427	13.5
57.07055	2.1
61.02900	2.5
65.03912	2.7
65.38316	1.3
67.05138	2.6
67.05495	53.1
68.05806	1.8
69.03413	5.4
69.07061	27.9
70.06567	2.6
71.04980	6.1
71.66113	2.4
73.02897	1.6
77.03897	1.3
79.05019	2.4
79.05482	43.9
81.03401	11.2
81.07044	100.0
82.07363	1.5
83.04979	12.3
83.08607	13.5
85.02907	6.8
85.06537	4.5
86.09679	2.6
91.05466	50.6
93.07034	42.1
95.04956	10.4
95.08589	33.1
97.02880	3.7
97.06516	16.8
97.10141	9.1
98.14066	1.4
98.97594	1.3
99.04449	2.2
99.08088	4.4
101.05997	1.3
103.05482	1.8
103.12444	1.2
105.07016	47.5
106.07306	1.9
107.04935	8.7
107.08579	31.0
109.02861	3.7
109.06501	10.7
109.10136	12.5
111.04446	1.8
111.08081	4.2
115.05466	1.8
117.06987	12.7
119.08562	39.4
121.06478	3.4
121.10130	28.2
123.08061	6.2
123.11682	23.6
125.09595	6.1
127.03938	2.9
127.07565	1.6
129.05464	1.8
129.06973	4.5
131.04938	1.4
131.08553	16.7
133.10115	20.8
135.08025	3.9
135.11676	12.2
137.09592	2.7
137.13232	2.7
141.09042	1.4
143.08545	5.4
145.10117	13.6
147.08044	2.0
147.11664	61.2
148.12015	1.9
149.09572	12.1
149.13251	7.9
151.11160	2.9
153.09023	1.3
153.12776	1.4
155.08511	3.0
157.10114	6.4
159.11665	12.0
161.09564	1.5
161.13225	5.4
163.11176	8.1
165.12718	21.6
169.10031	1.3
171.11678	4.0
173.04456	1.3
173.11841	1.8
173.13260	5.4
175.11171	3.3
175.14819	1.9
177.12753	4.2
179.14323	1.9
181.12210	1.4
183.11713	1.7
183.13812	2.9
185.13113	1.6
187.14835	1.4
189.11115	3.9
191.10608	2.0
193.12254	3.5
195.11627	1.7
195.13684	4.0
197.13300	1.8
199.14850	2.4
201.12862	1.5
209.11765	2.4
211.13274	1.5
227.12773	9.5
229.14316	7.2
229.19495	1.6
239.17987	2.6
241.19533	2.4
246.40907	1.2
251.16550	1.6
253.14221	1.6
253.17946	2.1
255.15851	5.6
257.18958	8.9
259.20602	8.1
267.15875	70.8
268.16315	2.2
269.17426	17.5
275.20029	33.3
276.20349	1.7
283.15393	2.9
285.16934	58.3
286.17322	2.2
293.21051	4.0
301.16452	5.3
315.05170	1.5
321.04794	1.7
321.24167	1.5
330.07397	1.4
331.22665	2.8
333.24240	5.2
345.09528	3.0
349.23691	32.1
367.24634	4.4
413.21844	2.9
434.49109	1.6
437.25323	3.6
439.26740	2.0
440.26031	1.3
455.26297	2.5
465.28391	15.1
479.29944	50.0
480.30200	2.3
519.32941	2.2
541.35419	7.4
559.36261	37.6
560.36548	4.3
577.37097	7.6
600.90094	1.4
625.46387	1.6
649.25427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88165	2.5
55.01861	3.3
55.05506	25.3
57.03427	10.5
57.07060	5.5
57.36594	2.3
61.02920	17.7
66.58109	2.2
67.05495	75.6
69.03407	4.5
69.07053	20.3
71.04966	3.1
71.53582	5.8
73.02910	6.6
77.03934	3.4
79.05487	68.6
81.03389	5.5
81.07047	78.9
83.04968	5.8
83.08601	11.1
85.02908	13.7
85.06544	5.1
91.03954	8.7
91.05468	59.8
93.07035	67.1
95.04964	8.7
95.08595	55.6
97.02872	13.8
97.06529	6.0
99.04506	2.9
105.07011	52.5
107.08575	39.2
109.06489	3.3
109.10139	31.9
111.08035	4.4
117.07011	16.8
119.08583	51.7
120.87297	2.3
121.10136	35.8
123.08054	2.7
123.11694	9.6
126.98266	2.6
128.06248	4.7
129.07005	11.0
131.08551	38.7
133.10115	35.3
135.08043	3.5
135.11671	22.8
138.70883	2.5
141.07062	3.4
143.08580	15.1
145.10118	34.2
147.11674	37.2
149.13243	11.0
151.62296	2.4
155.08519	6.0
157.10135	14.8
159.11694	27.7
161.13246	27.1
163.14786	8.9
169.10130	9.6
171.11649	20.2
173.13243	22.1
175.14807	9.0
181.10097	4.1
183.11661	6.2
185.13304	14.7
187.14832	6.3
195.11700	5.5
197.13261	5.5
199.14836	10.2
201.16423	3.5
209.13255	2.6
213.16391	6.9
215.17944	4.2
217.15904	3.0
217.19476	2.9
239.17979	5.9
241.19485	25.9
243.21053	3.3
257.19003	6.8
259.20551	38.6
261.22150	7.8
271.51086	2.8
275.20239	3.1
275.24078	2.7
315.23203	4.4
333.24210	30.2
335.25803	75.1
419.87988	2.9
519.42023	5.4
593.37012	2.8
593.45056	13.1
609.45050	6.5
611.46619	100.0
612.46790	10.9
623.47437	2.8
700.32172	2.9
719.47711	3.0
737.49860	4.5
773.51355	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.6
55.02467	1.7
55.05503	23.8
57.03429	12.4
57.07065	3.6
57.59600	1.7
59.18113	1.8
60.44450	1.9
61.02914	12.6
61.50035	1.8
67.05495	66.9
68.05817	2.1
69.03407	9.2
69.07067	19.1
69.93444	11.3
71.04979	4.3
71.87086	2.0
72.93410	1.6
73.02906	6.9
77.03902	2.0
79.05030	2.6
79.05487	52.1
81.03403	8.4
81.07046	72.4
82.07365	2.4
83.04955	3.9
83.08607	11.0
85.02900	14.1
85.06531	3.4
90.44904	2.1
91.03931	7.6
91.05470	42.0
93.06438	3.2
93.07030	61.2
95.04961	10.4
95.08009	3.6
95.08593	54.7
97.02888	14.3
97.06519	4.6
97.10166	3.6
98.20740	2.7
99.08085	2.5
105.07018	45.7
107.08584	31.8
109.06497	2.7
109.10159	24.4
110.10488	2.0
111.08060	2.0
115.05459	2.7
117.07021	19.7
119.08564	48.3
121.06506	1.9
121.10123	28.2
123.08046	3.3
123.11684	6.5
127.03879	3.0
128.06197	2.8
129.06975	15.1
130.07704	2.4
131.08560	35.6
133.09187	2.6
133.10115	31.8
135.08073	2.3
135.11665	22.9
137.09604	1.8
141.06950	3.5
142.07785	1.8
143.08560	15.1
145.06552	2.7
145.10127	24.0
147.11679	32.4
149.09587	4.5
149.13225	12.9
155.08519	5.8
157.10152	13.7
159.11682	24.9
161.13254	25.0
163.11166	3.4
163.14764	5.3
167.08586	3.7
169.10100	6.7
171.11664	16.4
173.09502	2.0
173.13231	20.2
175.14803	14.6
177.12599	2.2
181.10042	3.8
183.11702	7.2
185.13266	12.8
187.14813	7.5
189.12659	2.0
189.16376	2.9
195.11784	4.2
197.13231	7.6
197.85785	1.9
199.11194	2.4
199.14804	7.4
201.12820	1.8
201.16364	4.9
207.11877	2.0
209.13235	3.0
211.14771	2.8
213.16409	2.5
215.14496	1.9
215.17926	3.3
231.20982	3.7
241.19531	23.2
243.21005	3.5
245.95303	1.9
257.18936	7.9
259.20544	35.2
261.22028	10.4
275.20029	5.1
299.23596	2.1
301.21704	4.7
313.21664	2.8
315.23120	3.2
321.22473	1.9
333.24194	27.2
334.24564	3.2
335.25745	76.7
336.26080	7.4
337.27686	3.5
351.25760	2.3
367.22656	1.9
375.25214	2.5
385.23538	2.4
403.24908	2.2
409.30701	2.8
441.26685	2.1
459.27585	2.2
477.28204	2.4
503.38303	2.6
519.42035	5.9
529.37793	2.0
537.42883	3.9
541.38586	2.1
593.45502	9.0
609.44763	5.2
611.46631	100.0
612.46936	11.5
701.47693	4.4
707.07111	2.3
719.48267	4.3
737.49634	3.5
755.50269	3.5
773.50873	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	773.212
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
55.01870	0.2
57.03435	0.7
59.00484	0.1
61.02912	0.1
67.25173	0.1
68.99779	0.3
69.03431	0.1
70.06575	0.1
70.94689	0.3
71.04976	0.7
81.03411	0.2
85.02898	1.7
87.04463	0.2
97.02849	0.5
101.44450	0.1
105.61063	0.1
107.01288	0.2
111.04476	0.2
115.03928	0.1
117.16814	0.1
117.96365	0.1
120.80634	0.1
121.02847	0.2
125.02354	0.3
127.03876	0.4
129.05487	0.2
129.07082	0.2
131.04889	0.2
133.02847	0.2
135.04378	0.7
137.02332	0.8
137.05943	0.2
139.03868	0.2
139.05400	0.2
145.06479	0.2
147.04411	0.2
149.02361	0.2
150.03104	0.8
150.05481	0.2
153.01796	8.2
153.76009	0.1
154.02124	0.1
155.04855	0.2
157.06483	0.3
159.04362	0.3
163.03860	0.5
164.04645	0.3
165.01788	0.5
170.02094	0.3
173.05943	0.4
177.05486	0.1
179.03381	0.4
183.04399	0.3
185.05952	0.2
185.57587	0.1
187.03920	0.5
191.03348	2.1
192.04099	0.2
193.04953	0.3
194.02148	0.3
201.05446	2.3
203.03389	0.5
204.04227	0.7
205.04967	1.2
209.04369	0.6
211.03909	0.5
213.05460	1.3
215.03433	0.2
215.07030	0.7
227.06993	0.3
228.04167	0.5
229.04919	8.7
230.05504	0.2
231.02795	0.7
232.03697	0.1
233.04428	0.5
239.03499	0.2
241.04892	1.0
243.06497	0.9
247.05991	0.3
256.03680	0.4
257.04407	10.5
258.04871	0.4
261.04944	0.1
261.07379	0.8
262.14420	0.1
267.02911	0.2
271.06018	2.1
274.04709	0.2
284.03177	0.9
285.03888	9.8
286.04306	0.2
289.06998	0.2
299.05502	1.1
302.04175	3.5
303.04944	10.1
304.05161	0.2
317.06503	100.0
318.06863	2.8
319.04349	0.2
333.69083	0.2
426.05273	0.1
449.10669	0.3
465.10159	1.8
479.11862	1.2
611.16077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.9
58.44930	0.4
69.03417	2.7
69.29642	4.3
81.03394	0.6
84.08146	0.4
84.56404	0.4
85.02910	1.9
87.04443	1.0
87.67719	0.5
89.03898	5.6
91.05406	0.5
93.07020	0.4
95.04966	0.5
97.02874	3.4
98.21423	0.8
99.04437	0.5
107.04910	0.5
109.02856	0.5
115.03902	0.8
117.03361	18.2
121.02825	1.0
123.04337	0.5
127.03830	0.4
134.03627	1.1
135.04391	1.3
137.02306	1.5
137.05974	0.9
138.38419	0.4
145.02820	49.4
146.03201	0.7
147.04391	0.8
149.05957	6.2
153.01802	1.5
162.03027	0.8
163.03844	0.6
165.01817	0.8
167.03389	0.9
177.05443	100.0
178.05798	2.0
186.05496	1.6
191.06970	0.5
195.06346	0.7
201.05455	0.8
219.06537	0.6
229.04938	2.1
257.04431	1.1
261.07632	0.4
285.03781	0.7
287.05530	0.8
291.08572	1.3
303.04953	39.2
304.05295	1.5
313.07108	0.4
315.04886	0.9
321.09744	0.5
339.10681	9.0
345.06009	1.8
345.09500	0.7
345.76068	0.4
346.09894	0.5
348.25482	0.5
369.05820	0.5
428.29404	0.4
435.08994	0.8
446.42026	0.5
471.06213	0.5
471.14417	0.5
505.10956	0.7
517.80487	0.4
525.14001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
57.19444	0.2
59.58314	0.3
63.02361	0.5
65.03933	0.3
69.03426	2.7
70.06573	0.4
71.65914	0.3
71.66347	0.5
78.04704	0.4
79.05464	0.3
81.03398	0.5
81.07043	0.4
84.08128	0.4
85.02895	2.2
86.09675	0.4
87.04443	1.4
89.03364	0.3
89.03903	5.1
91.05450	0.8
93.07047	0.3
95.04960	0.5
97.02889	3.2
103.05461	0.4
109.02850	0.5
111.00776	0.5
115.03899	0.8
117.03362	16.4
119.04934	0.5
121.02840	1.1
127.03876	0.5
133.04936	0.5
134.03595	1.4
135.04417	1.7
137.02376	1.3
137.05942	1.1
145.02826	47.7
146.03159	1.2
147.04373	0.5
149.02292	0.4
149.05948	5.9
150.13107	0.3
151.03897	0.5
153.01797	1.5
159.04416	0.3
163.03874	0.9
165.01797	0.8
167.03351	1.5
177.05441	100.0
178.05801	2.7
183.02933	0.4
186.05443	1.4
195.06483	0.4
199.55853	0.3
201.05428	1.0
229.04970	1.5
245.08032	0.5
257.04340	1.1
285.03964	0.4
287.05444	0.6
291.08627	0.9
303.04956	38.5
304.05310	1.5
309.09622	0.6
313.06989	0.3
314.03824	0.3
315.04987	0.8
321.09656	0.5
339.10690	7.4
345.05948	1.8
345.09637	0.6
346.10336	0.3
382.06860	0.3
411.07004	0.4
435.09283	0.5
505.11072	0.3
525.13629	0.4
551.57007	0.3
597.15686	0.3
653.48004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	19.4
55.05501	49.5
57.03210	1.9
57.03430	22.5
57.07076	4.3
59.04981	5.1
60.20135	1.6
61.02899	5.1
63.47442	1.8
65.03898	2.2
65.18112	1.5
67.05495	77.7
69.03419	16.7
69.06693	2.8
69.07056	45.4
71.04977	7.6
71.21322	2.8
71.21640	2.4
71.35318	1.8
73.02907	3.6
75.17953	1.8
77.03956	2.1
79.05480	80.6
81.02947	3.5
81.03402	52.1
81.07041	82.4
83.01324	5.5
83.04967	21.8
83.08601	33.4
85.02886	22.8
85.06512	5.4
89.25284	2.1
91.05467	65.6
91.06042	3.3
93.06436	3.8
93.07029	73.4
94.76595	1.8
95.04955	34.6
95.08592	33.4
97.02872	17.6
97.06519	17.2
97.10159	23.3
99.04445	2.3
101.05994	1.9
103.05473	2.1
105.07009	56.6
105.07722	2.9
107.04932	22.6
107.08573	44.3
109.02835	3.4
109.06507	17.0
109.10128	16.2
111.04424	5.5
111.08090	11.6
113.05997	3.6
115.05428	3.2
117.06989	22.8
119.04903	2.9
119.08556	41.0
119.48007	1.8
121.06479	9.5
121.10129	23.9
123.04382	2.0
123.08054	12.8
123.11670	4.6
125.05939	2.3
125.09612	19.9
127.03861	4.1
128.06223	2.7
129.06972	16.7
130.07834	2.8
131.08533	28.5
133.06464	5.3
133.10112	25.8
135.08038	6.4
135.11676	21.1
137.09630	4.7
140.12930	1.7
142.07759	3.6
143.08508	8.5
145.06506	3.4
145.10112	29.3
147.08075	11.0
147.11659	17.7
149.09572	14.4
149.13202	9.3
151.11183	2.5
153.09082	2.9
153.12698	3.3
155.08498	4.1
157.10115	16.6
159.08005	2.4
159.11633	11.6
161.09529	4.6
161.13176	3.9
163.11160	26.1
165.12740	4.3
171.10234	2.1
171.11670	4.6
173.09584	5.4
173.13235	2.9
175.11110	14.1
177.12694	3.1
179.10626	1.9
181.12259	3.2
182.39822	2.1
183.11780	2.2
185.13235	2.7
189.11185	10.3
191.10651	3.0
193.12210	27.2
195.13762	2.9
209.11646	6.7
211.13255	43.1
223.13235	16.4
227.12726	27.1
239.17899	2.2
245.18936	3.1
249.14745	4.4
255.15860	5.3
257.19009	6.0
267.15823	31.0
269.17514	14.1
273.18509	16.9
275.20004	26.5
276.20239	2.3
283.15363	61.9
285.16928	41.6
291.19479	100.0
292.19794	1.9
293.21289	2.9
303.04791	2.2
331.22766	2.6
345.09592	2.2
347.21936	2.2
349.23599	20.4
365.23151	39.9
367.24939	2.7
395.20828	2.5
437.25436	2.8
453.24759	2.3
461.28494	2.6
463.27014	13.1
477.28360	52.4
495.29517	2.7
517.31281	4.6
539.33789	5.9
557.34619	58.4
575.26984	3.7
575.35712	61.8
576.36005	3.6
621.32257	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	773.1909
Annotation	quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
Peak:m/z	Relative Intensity
55.01877	0.4
57.03408	0.2
61.02918	0.5
63.02358	0.5
65.03934	3.2
67.05487	1.8
68.84441	0.2
68.99784	0.5
69.03404	0.5
71.04968	0.6
78.04697	0.2
81.03418	0.6
83.04958	0.3
85.02899	1.4
86.03209	0.3
89.03892	2.9
91.03918	0.2
91.05487	0.6
93.03394	3.9
95.04934	0.7
97.02879	35.6
98.03202	0.5
98.83336	0.2
103.05431	0.4
107.04960	0.3
109.02861	0.9
110.03678	0.6
111.00805	0.8
111.04430	0.5
115.05428	0.5
117.03360	9.5
117.06992	0.3
119.04937	0.2
121.02859	2.8
122.03735	0.2
123.04382	0.4
124.05145	0.3
125.02357	0.8
125.05949	0.7
127.03906	0.6
128.06161	1.1
128.90752	0.2
129.06996	3.5
131.04912	0.3
134.03621	0.7
135.04385	0.8
137.02321	3.7
137.05975	1.1
139.03876	0.5
139.05389	0.8
141.06969	1.0
144.14241	0.2
145.02831	24.1
146.03165	0.9
147.04352	0.8
149.02322	5.1
149.05957	3.2
151.03879	1.6
153.01799	4.1
155.04877	0.5
157.06465	4.1
158.07068	0.2
160.05145	0.3
161.05948	0.6
162.03162	0.2
163.03894	1.0
163.07530	0.2
165.01793	2.2
167.03394	19.4
167.04837	1.6
169.06448	1.6
173.05954	0.9
174.06636	0.5
175.03691	0.3
175.07532	0.3
177.05447	45.0
178.05801	1.4
179.06998	0.5
183.02861	0.8
183.04294	0.4
184.05161	0.4
185.05995	1.5
186.05479	0.6
187.03870	0.5
187.07500	0.5
188.08316	0.8
188.58807	0.2
189.05464	0.8
189.09076	3.9
191.07010	0.3
195.02837	0.4
195.04420	0.4
199.07523	2.9
201.05443	2.0
201.09070	0.3
207.06438	1.1
212.04752	0.3
213.05479	0.8
214.06013	0.2
215.07030	0.6
217.08589	4.4
218.08998	0.2
219.02739	0.3
219.06442	0.4
222.79454	0.3
227.06982	3.2
229.02769	0.4
229.04932	4.8
231.06544	0.3
245.05675	0.5
245.08069	6.8
247.05948	0.9
255.06435	0.3
257.04416	3.1
273.07513	1.9
274.04758	1.1
285.03955	1.4
287.05457	4.6
288.05786	2.1
289.05878	1.0
291.08585	13.1
292.08893	0.3
303.04950	100.0
304.05234	3.2
309.09723	1.7
311.05072	0.3
315.04886	0.5
316.05234	0.2
345.05862	0.8
345.09335	0.4
369.06076	0.4
420.25696	0.2
465.10178	0.5
766.23993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.9
55.05503	39.7
57.03428	20.6
57.07060	4.8
59.04988	3.3
61.02915	5.5
65.03915	4.5
66.00863	2.3
67.05141	4.2
67.05496	79.6
67.05852	5.9
69.03422	13.6
69.07066	27.3
69.97865	13.6
71.04976	10.2
75.76508	2.3
79.05483	69.8
81.03403	47.7
81.07043	88.5
83.01334	8.7
83.04980	30.2
83.08612	29.6
85.02894	18.4
85.06530	7.1
91.05468	65.2
93.07033	75.2
94.07345	2.9
95.04958	27.0
95.08590	36.0
97.02872	12.9
97.06513	16.2
97.10155	10.8
99.04465	4.9
99.08074	4.1
105.07018	48.1
107.04943	17.3
107.08579	47.4
109.06498	13.8
109.10124	18.5
111.08057	10.8
117.07009	20.5
119.08562	32.2
121.06491	6.8
121.10120	26.0
123.08054	12.0
123.11678	4.4
125.05942	2.8
125.09597	3.9
127.03904	3.8
128.06169	2.7
128.49983	2.8
129.05504	2.4
129.06967	10.0
131.08563	24.5
133.06474	6.2
133.10106	36.5
135.08028	8.1
135.11687	19.7
137.09602	7.4
141.06978	2.7
143.08554	5.8
145.06387	3.0
145.10097	29.5
147.07939	5.2
147.11673	12.4
149.09656	13.2
149.13272	9.6
151.11179	9.7
153.12733	3.1
155.08528	3.9
157.10110	9.2
159.07950	4.6
159.11699	10.8
161.09604	3.3
163.11157	28.0
169.10204	3.1
171.11652	3.3
173.09605	3.8
173.13275	4.4
175.11212	8.0
177.09088	2.5
177.12744	3.5
181.12202	4.9
189.11177	3.7
191.10774	4.0
193.12234	12.9
195.13780	5.2
206.24397	2.8
209.11710	8.0
211.13225	24.3
223.13321	3.5
227.12718	9.4
246.01834	2.7
249.14897	3.7
253.14458	12.8
255.15874	10.4
257.18848	4.6
259.20508	3.5
267.15765	14.0
269.17422	24.5
273.18497	10.7
275.20120	17.7
283.15375	73.2
285.16946	19.6
291.19510	31.5
299.14386	3.2
345.09619	3.1
347.22113	5.0
349.23602	11.7
365.23151	21.6
459.27859	3.9
463.26834	22.2
477.28461	100.0
478.28436	3.3
481.27765	4.6
539.33783	5.2
557.34619	30.5
575.35675	39.0
621.32587	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79519	1.5
55.01868	4.3
55.05506	24.3
57.03426	6.4
57.07067	2.8
61.02925	5.0
65.03944	4.0
67.05496	49.8
69.03429	13.4
69.07059	24.1
69.33498	8.8
69.33930	6.3
70.48250	1.5
71.04993	4.6
71.08656	2.2
73.02918	3.3
76.19041	1.3
79.05481	31.7
81.03416	11.6
81.07050	46.3
83.04967	5.9
83.08612	11.7
85.02892	10.4
85.06540	3.5
87.04446	1.6
89.85575	1.2
91.03952	2.8
91.05470	33.6
92.91257	1.5
93.07034	34.8
95.04965	8.4
95.08593	38.0
97.02889	9.1
97.06525	5.3
97.10147	5.3
98.21486	2.9
99.04459	2.9
103.03938	1.4
105.07013	29.2
107.08578	21.4
109.06522	4.2
109.10143	20.0
111.04433	5.1
111.08089	2.1
115.05431	3.4
117.07003	23.0
119.08564	32.7
121.10128	14.2
123.08073	2.9
123.11743	4.8
125.09653	1.8
127.03912	5.4
128.06216	6.8
129.05493	2.8
129.06979	21.0
129.07851	1.9
130.07721	1.8
131.08551	28.1
133.10115	20.6
135.08037	2.0
135.11658	7.8
137.13258	2.3
137.75304	1.3
141.06981	12.9
142.07784	4.4
143.08543	29.8
143.09610	1.6
145.10095	25.9
147.11670	11.4
149.09601	1.8
149.13263	5.8
151.07568	1.6
153.06973	4.2
154.07777	3.7
155.08546	21.5
156.09346	5.3
157.10107	28.6
159.11681	19.8
159.12805	2.0
161.12070	1.4
161.13161	7.1
163.14853	2.0
165.07027	4.4
166.07683	2.3
167.07285	2.6
167.08510	10.5
168.09317	3.0
169.10112	31.4
170.10912	1.6
171.11655	23.3
172.12410	1.7
173.13239	11.1
175.14786	2.7
179.08562	6.1
180.09319	2.0
181.10068	16.2
182.10806	2.5
183.11687	26.0
184.12343	2.5
185.13232	15.7
187.14871	5.3
193.10201	6.4
195.11626	16.4
196.12379	2.7
197.13223	20.8
199.14806	11.7
201.16364	3.2
203.18048	1.6
205.10049	2.9
206.10759	1.7
207.11681	8.2
209.13254	13.7
211.14839	12.2
213.16466	6.5
215.17911	1.9
219.11662	3.1
221.13310	5.5
223.14771	8.7
225.16295	10.4
227.17932	7.0
229.15761	1.6
233.13258	4.1
233.99960	1.3
235.14728	6.7
237.16484	5.5
239.17961	5.7
241.19566	2.3
245.13336	1.6
249.16435	3.9
251.18103	2.6
253.19585	3.8
257.19061	2.1
261.16519	1.6
263.18073	2.7
265.19507	3.4
271.20486	2.3
277.22031	1.4
279.21100	2.2
283.20807	1.6
295.20935	1.5
297.22083	1.6
307.20590	2.6
311.86026	1.6
321.22153	1.6
323.23764	2.2
333.22293	1.9
341.24713	1.8
349.25424	1.8
351.27017	3.0
361.21030	1.5
363.26987	2.6
365.28525	2.1
377.28683	2.0
391.29907	3.3
395.29300	1.9
457.32697	1.7
515.39075	3.3
517.40417	10.7
518.40887	2.0
533.40143	3.1
535.41498	5.5
539.37140	1.9
541.39539	1.5
545.38452	2.9
591.43988	6.0
607.42914	3.8
609.45032	38.8
610.45740	4.4
625.42529	3.6
638.28809	1.8
643.43243	4.3
661.44373	5.2
679.45538	8.7
717.46851	7.2
735.48212	8.8
753.49182	12.5
771.50287	100.0
772.50287	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	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.4
55.05502	22.8
57.02263	1.1
57.03430	9.8
57.07053	1.7
57.86259	1.0
61.02927	2.6
65.03940	2.8
67.05495	45.4
69.03421	6.9
69.07063	24.5
69.31128	5.8
69.31561	7.5
70.06585	1.1
71.04986	6.2
73.02918	1.8
79.05481	49.4
80.05821	1.2
81.03410	10.3
81.07046	52.1
82.07378	1.3
83.04964	11.2
83.08157	1.8
83.08611	17.1
85.02905	4.6
85.06537	2.8
91.05465	38.6
91.06039	1.8
93.07030	66.5
93.87912	1.4
95.04959	14.5
95.08593	47.1
97.02861	8.0
97.06511	13.6
97.10166	10.7
98.21394	2.6
99.04440	3.7
99.08079	1.5
103.05441	1.9
105.07016	32.9
107.04938	15.6
107.08581	50.7
108.08904	1.4
109.02888	1.7
109.06512	7.2
109.10130	10.2
109.10646	0.9
111.04469	1.5
111.08080	4.3
113.09651	1.8
117.07008	20.0
119.08566	26.4
121.06491	11.1
121.10123	22.1
123.08058	5.4
123.11711	2.6
125.06007	3.0
125.09578	8.2
127.03882	3.5
128.06168	1.3
129.06981	3.6
130.07765	3.3
131.08542	13.4
133.10118	16.7
133.16890	1.1
135.08043	5.1
135.11676	60.7
137.09622	1.8
139.07527	2.2
142.07739	1.4
143.08571	4.5
145.10112	44.6
147.07986	1.4
147.11671	9.0
149.06064	1.2
149.09587	10.3
149.13245	6.3
151.11191	2.8
153.12799	1.7
155.08542	2.0
155.58543	1.2
157.10100	4.5
159.11707	9.3
161.09685	1.8
161.13266	4.4
163.11160	71.0
167.07002	2.4
169.10147	2.5
171.11700	2.3
173.13225	4.7
175.10927	1.1
177.05460	3.2
177.12756	2.9
179.14282	3.2
181.12206	10.2
183.11620	2.0
185.13306	1.3
186.42603	1.1
187.11261	1.2
189.11275	3.0
193.12244	2.5
195.13820	1.7
209.11743	3.9
227.12746	100.0
228.13046	2.3
233.15323	1.5
239.17944	3.7
247.20615	1.7
255.15875	5.9
257.19012	10.9
267.15942	4.0
269.17499	14.2
273.18491	1.5
275.20013	27.9
283.15375	74.0
285.17035	1.4
291.19653	2.6
293.20917	2.3
299.14978	2.1
315.04825	1.6
331.22626	3.9
345.09598	3.1
349.23691	34.4
350.24033	1.5
365.23273	2.4
367.24811	2.8
379.21167	1.4
413.21750	1.5
437.25238	2.4
453.24741	4.7
458.89005	1.2
461.28836	2.9
463.26913	15.4
477.28400	53.2
478.28540	1.9
517.31476	2.0
539.33875	2.0
557.34711	46.0
558.35016	2.9
575.35938	6.8
627.47266	1.4
671.25610	1.2
707.78998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05513	8.7
57.03439	4.6
57.07074	1.2
61.02922	13.7
67.05151	1.2
67.05499	19.3
69.03419	7.7
69.07066	8.5
71.01340	1.0
71.05001	1.5
73.02905	8.0
79.05483	10.0
81.03420	2.1
81.07054	15.3
83.04961	1.3
83.08601	3.3
85.02896	12.2
87.04458	1.4
91.03957	5.3
91.05466	7.9
93.07043	12.6
95.04942	2.6
95.08599	15.3
97.02885	10.0
97.06533	1.9
97.10178	2.4
98.20597	1.8
99.04430	1.2
101.02361	1.7
105.07037	10.8
107.08581	8.8
109.06487	1.1
109.10158	6.3
111.08107	1.3
115.03867	1.0
117.07029	6.4
119.08560	9.4
119.90187	0.9
121.10119	4.9
123.08055	1.9
123.11646	1.4
125.09615	1.2
127.03894	2.5
129.06960	7.7
131.08557	7.6
133.10112	6.5
135.11713	2.4
141.06927	4.8
142.07832	1.3
143.08554	8.8
145.10114	9.0
147.11681	3.6
148.36632	1.1
149.13245	2.5
153.07019	1.2
155.08507	5.8
157.10100	10.0
159.11684	7.2
161.13208	1.6
167.08545	3.8
169.10114	8.3
171.11684	9.2
173.13228	3.4
175.14818	1.8
179.08534	1.7
180.09268	1.0
181.10100	5.9
183.11682	9.7
185.13229	7.8
187.14778	2.6
189.16414	1.3
193.10046	1.6
195.11638	7.1
197.13203	7.4
199.14789	3.3
201.16371	1.5
207.11653	2.3
209.13228	5.0
211.14809	3.9
213.16373	2.5
215.17944	1.1
221.13278	2.7
223.14833	3.6
225.16331	3.1
227.17964	2.4
229.60355	1.1
233.13483	1.0
235.14771	2.6
237.16393	1.7
239.17914	2.9
241.19466	1.2
249.16205	1.3
251.17767	1.4
253.19551	1.4
253.34680	1.0
263.18051	1.3
265.19528	1.4
309.21976	1.2
337.25311	1.4
351.26746	1.4
365.28333	1.4
377.28079	0.9
391.29999	1.1
475.33389	1.2
509.36166	1.1
517.40216	5.5
525.35889	1.1
535.40991	3.1
539.37018	2.0
591.44037	7.2
607.43616	2.0
609.45087	100.0
610.45264	6.2
753.48877	1.9
771.50433	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
63.19994	0.1
69.03433	0.2
70.31182	0.4
85.02934	0.3
92.22593	0.1
95.04991	0.4
97.02898	0.5
105.03374	1.6
107.04963	0.1
115.03970	0.2
115.15593	0.1
123.04395	0.3
133.04935	0.1
135.04425	0.2
137.02423	0.1
137.05933	0.2
140.76982	0.1
147.04395	0.2
151.03912	0.9
153.01802	0.9
161.02316	0.1
161.06055	0.2
162.85255	0.1
163.03899	0.7
167.07034	0.7
170.02153	0.4
175.03975	0.1
177.05515	0.5
178.02641	0.4
178.06238	3.9
179.03410	0.3
179.06641	0.1
183.02899	0.2
203.03427	0.2
204.04137	0.3
205.04979	0.1
208.15269	0.1
213.05479	0.3
216.04094	0.8
217.04906	0.6
227.03453	0.3
228.04201	0.1
231.02924	0.3
231.06499	0.7
241.04906	0.7
243.06485	0.4
244.03603	0.8
253.04936	0.2
255.02863	6.1
256.03571	0.4
259.06021	1.5
269.04437	2.1
271.05807	0.3
272.03116	0.3
281.04437	0.5
283.02359	1.5
283.05991	0.6
284.03149	0.4
284.06769	0.4
285.03894	0.2
287.05441	7.0
288.05786	0.2
297.03888	1.7
298.04648	0.2
299.05435	1.1
299.99582	0.2
300.02682	2.2
300.05814	0.1
301.03403	0.2
301.07098	0.4
302.07730	0.2
303.04947	0.2
311.05432	0.4
312.06256	0.9
313.07077	0.9
314.04367	0.2
315.04956	42.0
316.05286	1.2
317.10309	0.2
319.23776	0.1
329.06534	1.0
330.07291	18.0
331.07794	0.5
344.09036	0.3
345.09634	100.0
346.10034	2.3
457.05579	0.2
477.13727	0.3
487.10519	0.6
501.04755	0.1
507.14819	0.9
513.07544	0.2
516.06738	0.2
523.12250	0.9
549.10852	0.2
559.08362	0.2
577.01508	0.2
577.09766	3.3
578.09753	0.3
639.19110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11614	0.4
55.01771	2.1
55.05410	10.2
55.05708	2.7
57.03333	5.2
57.03637	1.2
57.06976	2.1
61.02817	13.7
61.03164	3.1
65.03852	1.1
67.05387	21.4
67.05791	3.6
69.03312	8.9
69.03726	1.4
69.06947	9.4
69.07365	2.1
69.41801	1.2
69.42192	4.8
71.01263	1.2
71.01591	0.5
71.04874	2.2
73.02795	7.8
73.03239	1.0
79.05366	17.4
79.05875	2.1
81.03288	4.6
81.06927	24.5
81.07460	3.0
83.01240	0.7
83.04853	1.8
83.08489	5.9
85.02771	12.5
85.03327	1.2
85.06408	1.7
87.04365	1.2
91.03819	7.5
91.05344	17.2
91.05958	1.4
93.06904	17.4
93.07558	1.5
94.07278	0.7
94.69356	0.5
95.04830	4.4
95.08466	22.3
95.09116	1.9
95.94299	0.6
96.67899	0.5
97.02748	13.3
97.03439	1.2
97.06380	2.6
97.10027	3.0
98.21428	1.0
99.04311	2.0
99.04932	0.9
99.08008	0.6
101.02241	2.9
103.03859	0.5
103.05350	0.8
105.06886	16.2
105.07638	1.0
106.07130	0.5
106.22134	0.5
107.04813	1.9
107.08441	13.8
107.09232	1.1
109.02714	2.4
109.06360	1.8
109.10009	9.8
109.10812	0.7
111.04291	0.6
111.07922	1.7
115.03812	0.9
115.05310	1.5
117.06854	11.0
119.08568	14.2
119.09335	0.9
120.08803	0.6
121.06310	1.5
121.09982	6.9
123.07919	1.6
123.11671	2.7
125.09478	1.3
127.03895	2.6
128.06213	3.3
129.06990	10.6
130.07668	0.6
131.08545	14.7
132.08737	0.6
133.06413	0.9
133.10121	8.8
135.07878	1.5
135.11685	5.2
137.09460	0.9
137.13164	0.5
139.11122	0.6
141.06953	5.1
142.07596	3.1
143.08551	14.0
144.09149	1.1
145.04851	0.9
145.06212	0.5
145.10107	13.7
146.10251	0.8
147.07823	0.7
147.11671	6.6
149.09396	0.7
149.13091	2.2
151.07448	0.6
153.06841	1.7
154.07735	1.0
155.08534	11.5
156.09122	2.0
157.10101	14.4
158.10799	0.7
159.07890	0.9
159.11685	9.8
161.09482	0.7
161.13217	3.8
163.11011	1.0
163.14720	0.6
165.06807	1.6
166.07631	0.6
167.08554	6.4
168.09151	2.1
169.10118	12.8
170.10637	2.0
171.07956	0.5
171.11674	11.2
172.12102	0.7
173.04405	0.7
173.13246	6.5
175.11095	0.8
175.14656	2.3
177.16275	0.8
179.08409	2.3
180.09134	1.7
181.10091	9.8
182.10661	1.0
183.11670	15.0
184.12138	0.8
185.13234	9.6
187.11082	0.5
187.14813	4.3
189.16176	1.4
192.09236	0.8
193.10132	3.5
194.10677	1.7
195.09869	0.5
195.11670	10.1
196.12170	1.1
197.13239	10.7
198.13759	0.7
199.11127	0.8
199.14816	5.4
201.00645	0.5
201.16260	1.8
205.10081	0.7
207.11736	3.9
207.13474	1.0
208.12361	0.7
209.11441	0.5
209.13223	7.9
210.13737	1.0
211.11159	0.6
211.14764	6.8
213.16440	3.1
215.17810	1.0
219.11551	2.0
221.13243	4.7
222.13751	0.7
223.14832	5.3
225.12668	0.5
225.16385	5.0
227.18025	2.5
229.19383	0.9
231.11655	0.7
233.13065	1.7
234.13939	0.5
235.14813	2.9
236.15190	0.9
237.16364	3.2
239.17746	2.2
241.19563	1.1
249.16206	1.6
251.17737	1.8
253.19316	1.8
255.17218	0.6
257.18860	0.9
259.20535	0.9
263.17752	1.4
265.19388	1.1
267.21054	0.9
271.20422	0.7
277.19467	0.5
279.20828	0.9
283.20218	0.6
295.20297	1.1
295.23920	0.7
297.21887	0.9
305.22229	0.6
311.23309	0.8
313.21063	0.6
321.21964	1.4
323.23459	1.8
325.21442	0.8
325.25162	0.9
327.23148	0.7
337.25095	1.5
339.23059	0.9
339.26709	0.7
341.24680	0.7
347.23343	1.0
349.25299	0.9
351.26654	1.5
355.26184	0.7
361.25159	1.3
363.26685	1.1
365.28583	1.1
367.26254	0.8
369.27692	0.6
371.25854	0.6
377.27966	0.6
379.26004	1.0
393.31519	0.9
395.29437	0.9
407.29190	1.0
419.29120	0.8
421.30676	0.7
423.32837	0.7
429.31137	0.7
435.31946	0.9
447.32312	0.9
461.33569	0.7
473.32938	1.0
475.34641	0.8
485.33527	0.6
499.39182	1.1
501.35483	1.4
513.35699	1.1
517.40363	6.3
521.36292	0.8
523.38019	0.7
525.35699	0.7
527.37268	1.7
535.41602	4.2
539.37256	1.7
541.39453	1.2
553.41534	0.9
573.42578	1.3
591.44092	6.9
591.52832	1.0
607.33630	0.6
607.42743	2.8
608.44287	1.2
609.45038	100.0
610.45251	4.8
621.45056	1.6
633.45154	1.2
643.43878	0.6
651.45752	1.2
667.61823	0.7
675.45856	0.7
699.45770	0.7
717.46967	1.6
735.47638	1.3
753.49188	2.3
771.50311	20.6
772.49139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05255	1.0
55.05504	14.0
56.59385	0.7
57.03436	6.0
59.04966	0.9
61.02922	1.0
65.03923	3.1
67.05498	40.3
67.30984	0.7
69.03432	3.5
69.06709	1.0
69.07061	15.4
69.34610	1.7
69.35026	5.5
71.04979	3.4
71.05309	0.7
73.06516	1.3
79.05486	49.8
81.03404	9.4
81.07046	45.4
83.04974	9.8
83.08611	8.8
85.02887	3.0
85.06530	2.7
86.09678	1.2
91.05473	41.3
93.07036	50.1
95.04959	15.6
95.08595	20.9
97.02884	2.9
97.06515	9.3
97.10153	4.4
97.17661	0.8
99.08074	2.2
101.29580	0.7
103.05457	1.0
105.00871	0.7
105.04550	1.1
105.07018	29.6
107.04949	5.0
107.08584	23.4
109.02836	1.5
109.06508	5.5
109.10151	7.0
111.04420	0.9
111.08067	3.1
115.05460	1.7
117.06994	11.9
119.07751	1.5
119.08571	22.6
120.08864	1.0
121.06480	3.3
121.10127	8.3
123.08055	3.3
123.11674	1.7
123.96955	0.7
127.03886	1.2
127.07529	1.0
128.06210	2.1
129.05527	0.7
129.06989	11.4
131.08562	8.9
133.06474	1.1
133.10115	15.9
135.08034	2.2
135.11684	7.8
137.09612	2.1
141.06989	1.0
143.08540	6.0
145.06409	0.9
145.10104	11.0
147.08037	2.3
147.11678	23.2
149.09599	6.4
149.13269	5.0
151.11153	1.3
154.15802	0.8
155.08492	1.5
155.43423	0.7
156.09291	1.0
157.10124	2.0
159.11678	6.4
161.09616	2.8
161.13213	8.3
163.11183	5.0
165.09041	0.9
169.10184	1.4
171.11685	14.6
173.04466	1.8
173.13190	2.1
175.11218	0.9
177.12738	2.6
179.14314	1.7
183.11671	1.0
189.12729	8.3
195.13757	2.0
197.13162	1.0
199.14865	0.9
205.12383	0.8
207.13791	18.0
225.14854	2.2
227.12709	1.4
229.19574	0.8
239.17967	1.9
247.20671	1.1
251.16295	0.8
253.14355	1.4
255.15871	4.3
257.18979	3.7
269.17456	14.0
273.18448	0.9
275.20047	13.2
281.17447	47.3
282.17618	0.7
293.21124	1.6
293.86234	0.8
309.17004	1.0
319.28149	0.7
349.23676	9.3
367.24829	2.2
377.23178	0.8
413.21664	0.9
435.27618	1.7
457.29950	1.2
459.31180	1.0
461.28949	21.0
461.85187	0.9
462.29175	0.9
475.30521	100.0
476.30780	5.4
527.37231	1.2
537.35583	2.0
555.36731	19.6
556.38037	0.8
573.37366	3.3
619.34747	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	771.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05510	0.4
57.03428	2.0
61.02918	0.5
63.02369	0.2
65.03922	0.3
67.05476	0.4
68.99780	0.4
69.03422	1.0
69.03746	0.2
69.07050	0.5
70.06571	0.3
70.19221	0.9
71.04984	9.8
79.05503	0.4
81.03415	1.3
81.07041	0.9
83.04958	0.9
85.02895	19.5
85.06537	0.2
86.03233	0.3
89.03894	2.2
91.05464	0.4
93.07011	0.5
95.04955	0.2
95.08586	0.9
97.02877	2.9
99.04443	0.6
99.08096	0.4
101.39974	0.2
105.03367	0.4
105.07008	0.5
107.04948	0.5
107.08594	0.6
109.02885	1.4
109.10126	0.5
111.00772	0.7
111.04411	0.5
117.02551	0.5
117.03368	7.3
119.04922	0.3
119.08555	0.5
121.02856	2.6
121.06514	0.2
121.10124	0.4
123.04424	0.2
127.03894	1.6
129.05466	2.6
129.06961	0.3
131.04893	0.2
133.02824	0.7
134.03612	0.6
135.04385	0.7
135.11620	0.5
137.02310	0.8
137.05966	0.7
143.80893	0.2
145.02831	19.1
145.04877	0.7
146.03163	0.6
147.04419	0.9
147.06476	0.7
147.11787	0.2
149.05966	2.7
149.13245	0.2
151.03931	0.3
153.01822	3.6
157.06450	0.3
161.05991	0.2
163.03915	0.6
165.01784	1.9
167.03426	0.2
171.04298	0.2
175.03801	0.3
177.05449	37.5
177.16374	0.3
178.05977	0.9
179.03380	0.6
183.02936	1.0
185.05981	0.4
186.05489	0.6
189.05328	0.3
191.07050	0.3
191.67302	0.2
195.06483	2.3
195.17340	0.3
207.06383	0.2
213.05388	1.3
213.18500	0.6
231.06529	0.7
241.04895	0.8
243.06589	0.3
255.02905	0.8
258.05222	1.1
259.05963	0.7
269.04266	0.4
283.02197	0.2
283.05460	0.2
286.04764	0.3
287.05460	100.0
288.05777	3.6
289.25186	0.5
296.19803	0.2
299.05450	0.7
301.07010	1.5
307.26309	0.7
313.07214	0.3
315.04898	4.6
316.05157	0.3
317.06088	0.2
325.10742	0.3
325.26978	0.3
330.07300	2.3
331.08209	0.3
339.10712	2.8
345.09647	13.8
346.09958	1.0
347.09930	0.6
477.11676	0.7
485.16547	0.7
609.12433	0.2
625.15216	1.0
646.36621	0.2
771.28528	0.5
785.21222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.0
55.05501	31.1
56.05855	2.3
57.03428	13.9
57.07071	1.9
61.02921	9.0
62.26826	2.0
65.03921	6.3
67.05494	95.3
68.05829	2.2
69.03413	11.6
69.07054	28.6
70.45304	1.8
71.04972	7.8
73.02892	5.2
73.06547	3.5
76.48696	2.0
79.05479	100.0
81.03406	20.1
81.07044	93.8
81.07417	2.0
82.07374	3.9
83.04969	20.9
83.08603	18.9
85.02902	13.6
85.06518	7.3
91.03907	4.1
91.05464	85.7
93.07030	96.6
94.07371	2.9
95.04952	31.8
95.08009	3.7
95.08591	50.3
97.02869	9.7
97.06530	15.9
97.10139	10.3
99.08062	3.6
103.05479	3.2
105.04489	3.1
105.07014	63.8
107.04948	14.8
107.08571	44.1
109.02853	4.5
109.06496	10.8
109.10152	19.4
111.04387	2.4
111.08083	5.6
115.05435	2.0
117.06999	24.3
119.04900	2.5
119.08555	48.7
119.09399	2.7
121.06505	7.3
121.10121	22.0
123.08051	10.6
123.11687	3.5
125.09616	7.4
126.95848	2.0
127.03889	7.2
127.07535	3.1
128.06235	5.6
129.06992	23.7
130.07796	3.7
131.08549	25.8
133.06454	2.7
133.10110	30.3
134.69151	1.7
135.08038	6.4
135.11673	13.5
137.09612	4.0
141.06963	3.7
143.08530	21.3
145.06477	4.3
145.10091	29.2
147.08029	6.8
147.11665	39.2
149.09593	11.0
149.13234	6.1
151.11165	5.1
155.08536	6.8
156.09267	2.9
157.10089	8.9
159.11702	12.4
161.09599	5.7
161.13248	15.5
163.11169	8.4
165.09184	1.9
167.08528	3.4
169.10068	7.5
171.11671	31.5
173.13203	5.6
175.11118	2.6
177.12717	2.8
179.14278	2.5
181.10023	4.0
181.12099	2.3
182.10779	4.2
183.11694	6.9
184.11960	2.4
185.13260	4.0
187.14749	2.5
189.11247	3.8
189.12727	11.3
195.11626	4.3
195.13803	2.8
196.11937	1.9
197.13242	3.0
199.14813	4.8
201.16406	2.5
205.10173	2.3
207.11882	4.5
207.13756	24.3
209.13190	3.2
217.15883	3.4
219.17439	2.4
221.13210	2.7
227.12709	10.5
229.19479	3.5
239.17831	3.2
247.20506	4.3
253.14349	2.9
255.15860	6.4
257.19003	14.7
267.15909	4.6
269.17435	15.3
273.18466	4.1
275.17184	2.9
275.20044	39.4
281.17432	76.8
283.15332	7.8
291.19440	9.3
293.21094	4.1
331.22519	2.3
349.23709	22.7
365.23395	3.3
367.24780	2.8
377.82724	2.0
377.87640	2.0
390.47684	2.0
457.14606	2.1
461.28778	32.0
475.30478	74.0
476.31024	3.3
515.33405	2.7
537.35901	4.9
555.36743	44.6
556.36816	2.9
573.36273	8.1
607.43127	6.3
608.34772	2.5
608.43811	30.0
653.19427	1.9
752.47925	3.1
770.48956	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	10.5
55.05500	39.7
57.03419	8.4
57.07052	2.9
65.03933	4.8
67.05495	69.1
69.03409	9.6
69.07067	20.0
69.29057	2.3
71.01346	3.3
71.04987	5.9
71.60194	2.9
71.60575	3.9
79.05479	88.5
81.03405	17.5
81.07050	50.0
83.04977	15.0
83.08601	19.6
85.02882	6.5
91.04929	4.7
91.05467	65.0
92.89996	2.8
93.07034	71.1
94.07387	3.0
95.04945	19.4
95.08597	36.6
97.02878	7.1
97.06540	5.9
97.10160	36.3
103.05487	5.6
105.07014	60.7
107.04937	14.3
107.08574	65.7
108.08904	2.7
109.06502	5.9
109.10135	18.0
111.08077	4.0
117.07005	16.1
119.08564	35.9
120.73773	2.6
121.06488	2.7
121.10133	15.3
123.08065	6.4
123.11713	3.7
125.09607	29.0
127.03889	5.3
128.06233	2.9
129.06995	19.0
131.08549	14.0
133.06453	3.6
133.10107	27.3
135.08041	8.6
135.11684	10.5
135.94238	2.2
143.08516	7.7
145.10077	29.7
147.08064	3.9
147.11644	31.8
149.09575	10.7
153.09053	2.9
155.08580	3.0
157.10114	4.6
159.11664	7.3
161.09660	4.7
161.13263	8.9
163.11166	9.1
169.10127	7.4
171.10271	4.5
171.11676	18.0
173.11836	2.7
173.13248	5.6
177.12784	3.3
183.11673	6.0
185.13268	3.1
189.11168	18.8
189.12793	8.1
197.13284	4.2
207.13734	17.6
227.12738	91.1
239.17955	2.8
253.14268	7.8
257.18973	10.9
267.15671	2.9
275.20026	50.9
281.17422	45.1
283.15393	5.4
291.19440	7.5
315.05151	3.7
331.22678	5.2
345.09903	3.8
349.23746	29.7
365.23169	6.5
451.26788	15.1
537.35522	5.6
555.36804	100.0
573.33807	12.6
599.28503	2.4
608.43420	4.6
755.37738	2.9
770.48395	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	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.9
55.05239	2.1
55.05505	31.6
57.03429	11.9
57.07069	2.7
57.74297	1.4
61.02909	2.0
65.03905	3.7
67.05495	83.4
69.03410	6.7
69.07058	30.2
71.04967	6.0
77.03899	1.6
79.05483	100.0
80.05853	1.7
81.03407	17.6
81.07047	83.2
83.04967	16.8
83.08613	17.8
85.02892	4.1
85.06532	5.6
86.09687	1.8
91.05467	83.4
92.05746	1.5
93.07030	95.1
95.04956	27.1
95.08592	46.7
95.09200	2.3
97.02867	6.8
97.06522	20.1
97.10140	10.0
99.08056	3.0
103.05424	2.1
105.04517	2.4
105.07014	62.1
106.07322	1.5
107.04918	14.8
107.08578	41.5
109.02827	2.5
109.06508	11.8
109.10150	14.0
111.08057	6.1
113.09638	2.7
115.05477	2.4
117.07017	18.1
119.08566	37.8
121.06451	4.7
121.10106	15.2
123.08053	8.0
123.11698	1.7
125.09618	7.7
127.03902	4.1
128.06194	2.3
129.06992	22.0
131.08551	16.6
131.10443	1.4
133.06453	2.0
133.10115	27.6
135.08046	5.9
135.11659	12.5
137.09581	3.0
139.11200	1.8
141.06900	1.8
143.08560	11.9
145.10103	24.8
147.08008	3.0
147.11667	49.4
149.09601	14.5
149.13210	6.5
151.11185	1.7
155.08571	2.3
156.09190	1.5
157.10150	3.8
159.11690	12.3
161.09599	4.9
161.13231	15.4
163.11182	10.0
169.10130	2.1
171.11650	30.3
173.04449	1.5
173.13268	5.1
177.12773	3.1
179.14307	3.7
183.11655	2.9
185.13403	1.5
187.11127	2.4
189.11162	1.7
189.12708	7.7
195.13826	3.6
197.13193	2.0
207.13756	27.9
225.14841	2.9
227.12730	11.4
229.19629	2.3
239.18008	1.8
247.20505	1.7
255.15884	6.1
257.18988	11.8
257.27692	1.5
267.15787	3.3
269.17395	13.8
275.20023	32.5
281.17438	71.1
282.17728	3.2
293.21109	3.1
331.22769	1.9
349.23639	23.3
435.27448	4.0
451.26889	3.5
459.31137	3.1
461.28897	24.3
462.29312	1.7
475.30511	95.5
476.30750	5.8
515.33514	3.8
537.35474	3.2
555.36835	44.2
556.37012	4.4
573.37451	5.6
619.34515	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	769.487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	1.5
55.01865	8.6
55.05502	38.0
57.03426	17.5
57.07055	2.7
61.02916	17.7
63.96627	1.4
65.03928	11.9
67.05495	77.8
69.03423	31.0
69.07056	33.4
70.85696	5.1
71.01335	2.2
71.04980	9.4
71.08633	1.7
73.02911	9.9
77.03889	2.1
79.05485	61.6
81.02947	3.1
81.03409	49.3
81.07045	80.4
83.01342	1.5
83.04965	13.7
83.08613	19.6
85.02893	22.2
85.06544	3.8
87.95625	1.6
91.03947	7.9
91.05466	68.3
91.06044	3.5
93.07034	59.8
95.04949	19.0
95.08592	53.6
96.08929	1.7
97.02866	25.2
97.06530	9.6
97.10162	7.6
99.04451	7.5
99.08070	3.5
101.02393	3.7
103.03971	2.1
103.05457	4.5
105.04576	1.7
105.07015	61.7
106.07342	1.6
107.04970	11.2
107.08577	40.2
107.84056	1.5
109.02876	8.4
109.06504	8.5
109.10136	21.0
111.04437	4.4
111.08081	5.1
115.03829	1.5
115.05448	7.2
117.07001	33.7
119.08566	44.9
121.06481	6.1
121.10131	23.4
123.04424	1.5
123.08055	6.7
123.11678	5.1
125.09615	5.8
127.03921	11.9
128.06172	9.6
129.05493	5.8
129.06982	25.7
130.07759	2.2
131.08549	43.8
133.06483	5.2
133.10107	34.9
135.08035	7.1
135.11635	12.0
137.05983	1.6
137.09604	3.4
139.03894	2.9
139.90605	1.5
141.06964	16.9
142.07748	7.2
143.08553	28.9
145.06462	4.1
145.10109	39.2
145.93019	1.5
147.04344	1.7
147.08040	3.8
147.11676	17.6
149.02330	52.8
149.03401	3.5
149.09612	4.4
149.13254	6.0
150.02654	3.4
151.11159	3.0
153.06975	6.2
154.07758	4.5
155.08542	26.6
156.09337	3.8
157.10109	26.7
159.08051	5.1
159.11661	22.5
161.09619	5.2
161.13211	8.2
163.07538	2.0
163.11171	5.4
163.14912	2.4
165.00452	1.6
165.06990	5.5
166.07779	2.6
167.08542	14.4
168.09305	3.9
169.10114	25.5
171.08046	3.4
171.11671	22.9
173.04443	19.1
173.09627	4.6
173.11870	2.2
173.13232	12.7
175.11147	2.9
175.14841	3.8
177.12767	3.7
178.07829	2.7
179.08527	7.6
180.09303	4.4
181.10080	21.5
182.10825	2.7
183.07982	2.5
183.11681	22.6
185.09775	3.8
185.13239	16.3
187.11166	5.8
187.14769	6.8
191.08521	2.1
191.14311	1.6
192.09319	2.1
192.92265	1.6
193.04944	55.6
193.06653	3.2
193.10059	10.5
194.05235	3.1
195.11659	19.0
197.09541	2.7
197.13210	14.5
199.11172	3.2
199.14725	9.4
201.16356	3.1
203.14246	2.4
205.10112	6.1
206.10840	2.3
207.11668	10.7
207.13358	1.8
208.12393	2.1
209.09590	1.8
209.13260	16.8
211.11073	3.4
211.14792	9.6
213.12807	2.6
213.16481	4.4
215.14244	3.3
215.17920	2.7
217.10059	1.7
219.11691	4.5
221.13228	9.5
223.11096	4.1
223.14720	10.5
225.16333	5.5
227.18039	3.0
227.20155	2.2
229.10313	1.8
231.11571	2.7
233.13167	6.3
235.11034	2.3
235.14830	9.2
237.12636	3.7
237.16316	9.6
239.17963	6.1
241.15749	2.0
241.19598	3.7
247.14771	4.9
249.16353	4.1
251.14299	2.1
251.17889	4.5
255.17422	2.5
257.13263	1.8
257.19052	5.6
259.20584	6.0
261.16306	3.1
263.17966	3.8
265.19376	2.5
271.20514	3.1
273.18707	1.9
275.20093	15.3
277.19504	1.7
283.20685	2.2
301.21655	2.1
307.20450	1.8
313.21530	3.1
315.23276	3.7
321.21878	2.1
325.21542	3.7
333.24286	4.3
339.23361	1.9
347.22980	2.0
349.24283	2.6
351.22922	3.1
355.22952	2.1
361.25009	1.9
363.26401	3.2
367.22607	4.4
379.26105	3.0
385.23691	2.5
389.28247	2.0
419.29385	2.2
441.26486	2.5
459.27216	3.0
499.33789	2.0
501.34442	2.2
513.35712	4.1
515.38690	8.5
525.35724	2.2
527.37262	2.5
533.39771	5.1
537.35803	2.4
538.36200	2.1
539.37634	2.2
551.41162	2.7
565.38464	2.9
589.42010	6.2
605.41498	2.5
607.43457	100.0
608.43829	9.8
609.44440	3.2
619.42664	2.3
625.44171	5.6
649.44342	2.7
653.40613	2.5
671.41656	4.7
679.45490	2.2
715.46405	3.1
723.47302	2.5
733.46326	5.8
751.47479	8.1
769.17371	4.7
769.48724	43.5
770.48553	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	769.487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.8
55.05503	39.5
57.03426	16.4
57.07060	8.4
59.05003	2.2
61.02913	18.5
62.04084	2.4
62.51842	2.1
62.52800	2.4
65.03912	7.9
66.51836	2.0
67.05492	80.9
69.03419	35.4
69.07063	37.0
71.01341	3.8
71.04992	11.7
71.08611	4.0
71.61588	3.7
71.61977	4.5
73.02908	12.8
79.05486	67.1
81.03407	44.9
81.07046	86.6
83.04960	17.4
83.08600	18.1
85.02892	23.8
85.06538	4.9
87.04456	4.9
91.03939	7.2
91.05463	78.7
93.07032	66.6
95.04966	18.5
95.08009	3.9
95.08594	61.2
97.02888	18.7
97.06527	13.4
97.10153	10.4
99.04444	7.3
99.08134	2.8
101.02383	3.9
103.05462	5.0
104.48055	2.0
105.07016	67.1
107.04923	6.9
107.07848	2.6
107.08570	45.7
109.02888	10.8
109.06505	9.9
109.10152	31.7
111.04419	7.1
111.08059	6.4
115.05447	6.7
117.06994	30.0
119.08562	53.2
121.06508	5.1
121.10127	30.3
123.08059	8.2
123.11723	5.2
125.09649	4.9
127.03883	11.3
128.06216	9.6
129.05464	7.9
129.06996	34.6
130.07764	2.5
131.04837	2.6
131.08551	40.6
133.06508	6.5
133.10112	35.3
135.08043	7.4
135.11659	17.5
137.09587	4.5
141.06961	18.3
142.07762	8.2
143.08533	35.4
144.09288	3.2
145.04912	3.0
145.06432	3.3
145.10106	41.3
147.08014	5.6
147.11646	18.9
149.02319	8.2
149.09589	8.6
149.13237	6.3
151.11143	4.0
153.06937	5.1
155.08517	28.9
156.09351	3.9
157.10110	25.3
159.08124	4.0
159.11668	27.2
161.05928	2.6
161.09612	5.0
161.13203	11.2
163.11166	8.3
165.07014	4.7
165.09091	2.9
166.07748	3.2
167.07268	3.7
167.08510	17.7
168.09320	6.6
169.10106	24.8
171.11662	25.0
173.04424	7.2
173.09587	6.7
173.13249	13.7
174.26907	2.3
175.11194	3.7
175.14754	3.2
178.07854	3.0
179.08549	11.0
180.09372	3.5
181.10110	24.2
182.10991	2.7
183.08177	2.7
183.11705	20.8
185.09586	4.8
185.13214	19.5
187.11116	7.2
187.14801	8.0
191.08505	3.4
192.09372	5.1
193.04932	7.6
193.10094	13.4
194.10899	3.7
195.08017	2.6
195.11646	24.2
196.12454	2.6
197.09538	4.1
197.13240	18.0
198.13745	2.7
199.11240	5.6
199.13199	2.7
199.14822	13.2
201.12535	3.5
201.16280	4.6
203.08528	2.8
204.09190	2.4
205.10069	6.5
206.10988	2.4
207.11627	15.6
208.12358	3.1
209.09491	3.3
209.13182	19.0
211.14825	12.1
213.12660	3.0
213.16341	6.0
219.11688	7.9
221.13228	14.0
223.14868	11.4
225.16379	7.2
227.17906	5.0
227.20006	36.3
229.19440	2.6
231.11604	2.7
233.13217	5.3
234.13899	2.4
235.14807	8.8
237.16324	7.5
239.17931	8.2
241.19594	3.1
245.19113	2.7
247.14804	3.7
247.20705	3.2
249.16396	6.9
251.17819	3.0
253.19412	2.6
254.44807	2.4
257.19019	6.8
259.20523	4.3
261.16483	4.2
263.17902	3.3
269.18900	2.7
271.20551	3.0
273.18454	4.0
275.17664	3.0
275.20105	21.2
277.19333	2.9
295.20505	3.5
299.19931	3.3
301.21832	3.4
307.20572	3.9
307.24280	3.6
311.19995	3.0
311.23453	2.9
313.21591	4.1
315.23221	3.5
319.20712	3.3
321.22037	2.4
325.21481	2.7
329.21280	2.5
337.21475	4.3
339.82117	2.6
343.22821	3.2
347.23224	3.6
349.24011	7.7
367.22562	5.5
385.23343	5.1
403.24982	2.6
441.26364	3.4
513.35687	5.5
515.38953	11.0
515.45679	2.9
527.36932	4.7
533.39807	7.6
537.35321	3.7
551.40027	3.5
553.38635	2.9
571.40363	3.8
589.41797	4.8
605.40887	4.6
607.43433	100.0
608.43561	8.2
609.44312	3.2
619.43176	4.0
625.44312	5.0
715.45795	4.0
733.45605	8.4
739.54431	2.6
751.47388	9.8
769.48761	52.0
770.48322	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	769.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.8
55.05501	23.5
57.03429	7.9
57.07061	2.3
61.02916	19.3
65.03912	3.6
67.05491	49.1
67.05847	3.0
68.05801	1.3
69.03418	19.9
69.06698	1.3
69.07056	19.5
69.33907	2.4
69.34310	10.9
71.01340	2.2
71.04968	5.0
73.02908	9.3
77.03857	1.4
79.05481	36.9
81.03405	21.9
81.07044	45.3
83.04966	7.1
83.08604	11.1
83.74032	1.2
85.02893	21.0
85.06509	1.8
87.04446	1.4
91.03945	9.4
91.04449	1.5
91.04928	2.0
91.05468	33.6
93.07030	38.2
95.04952	10.9
95.08006	2.2
95.08588	33.1
97.02877	16.5
97.06503	5.4
97.10163	7.2
99.04425	4.6
99.08047	1.9
101.02370	2.7
103.05428	1.5
105.06338	2.1
105.07013	32.5
105.83099	1.4
107.04928	4.3
107.08571	23.0
109.02873	3.1
109.06494	5.1
109.10149	14.6
111.04426	1.8
111.08038	1.8
115.05443	2.8
117.06991	16.8
119.08562	22.6
121.06482	3.6
121.10102	11.6
123.08041	3.2
123.11675	3.0
125.09585	3.6
127.03865	3.4
128.06209	4.5
129.05470	2.2
129.06985	17.6
130.07771	2.1
131.08536	22.8
133.06473	3.1
133.10094	17.5
135.08032	4.0
135.11682	6.5
137.09567	1.9
141.06955	10.3
142.07751	4.0
143.08521	19.4
145.04942	1.5
145.06418	2.8
145.10091	19.9
147.07986	3.3
147.11652	10.3
149.05898	1.2
149.09579	3.9
149.13237	3.0
153.07005	2.4
154.07748	4.2
155.08528	18.1
156.09309	2.1
157.06386	1.3
157.10086	16.4
159.07980	2.0
159.11656	13.0
161.05925	1.9
161.09592	2.3
161.13242	4.5
163.11153	3.5
163.14772	2.8
165.06999	3.2
165.12602	1.5
166.07742	2.6
167.08542	11.9
168.09268	4.0
169.10098	19.0
170.10921	1.9
171.08038	2.0
171.11674	13.4
173.04427	4.1
173.05847	1.8
173.09599	2.6
173.11784	2.0
173.13167	6.9
175.11104	1.6
175.14792	2.1
177.12709	1.9
178.07530	1.7
179.08525	6.2
180.09340	2.8
181.10107	15.4
182.10858	2.6
183.08041	1.4
183.11661	19.1
185.09590	2.3
185.13216	8.0
187.14792	3.3
189.12819	1.6
192.09216	1.9
193.10170	4.9
194.10774	2.8
195.07983	1.7
195.11655	15.7
196.12415	2.2
197.09520	1.3
197.13237	14.2
199.11179	1.7
199.14830	6.4
201.14716	1.3
201.16385	2.4
205.10049	4.0
206.10907	2.2
207.11690	8.5
209.13223	13.1
211.14818	7.9
213.12788	1.5
213.16360	2.7
217.10095	1.4
219.11583	2.7
221.13268	8.1
223.14761	8.3
225.16307	3.7
227.12553	1.6
227.17914	2.1
231.11760	1.3
233.13171	2.3
234.13841	1.5
235.14734	6.3
237.16388	3.6
239.17960	3.1
241.19489	1.4
245.13385	1.9
247.14735	3.7
249.16374	3.7
251.17908	3.9
253.19601	1.6
257.18802	1.5
259.20529	3.6
260.08881	1.6
261.16431	2.0
263.17886	2.7
267.21121	1.6
273.18744	1.5
273.22086	1.4
275.20123	8.2
283.20251	1.3
297.18436	1.3
297.21817	1.5
305.19098	1.6
305.22482	1.6
307.20322	1.5
315.23096	1.5
321.21988	2.4
325.21588	2.5
327.22968	2.0
337.21652	1.8
339.23044	2.4
345.09467	2.1
349.24628	2.1
363.26791	1.9
367.22266	1.9
375.26669	1.7
387.25769	1.4
445.30627	2.6
459.32315	1.8
513.35834	2.0
515.39087	6.6
533.40057	3.3
537.35529	3.6
538.36957	1.8
589.42560	5.9
605.41473	2.6
607.43475	100.0
608.43646	8.0
609.45087	1.5
625.44104	2.5
635.59326	1.4
649.44061	2.5
715.44806	2.3
733.46021	4.3
751.47150	5.0
769.48730	31.7
770.48444	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	769.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.7
55.05271	3.7
55.05507	41.7
57.03428	18.7
57.07059	4.8
61.02919	17.7
65.03912	6.8
67.05499	96.3
68.05830	3.3
69.03423	37.6
69.07059	44.1
71.01380	3.5
71.04974	11.8
71.64021	2.9
73.02909	9.8
76.92400	2.3
77.03492	2.5
79.05482	87.3
81.03412	56.5
81.07049	97.7
82.07371	3.7
83.04971	16.4
83.08604	21.3
85.02891	26.6
85.06533	4.5
91.03944	8.9
91.05470	87.3
91.06048	4.5
93.07030	78.1
94.07366	4.7
95.04971	23.5
95.08004	5.0
95.08594	63.2
97.02891	30.9
97.06527	12.0
97.10149	10.5
99.04444	10.3
101.02341	4.4
103.03957	3.6
103.05478	3.3
105.07020	64.8
106.07342	2.7
107.04942	12.3
107.07909	3.9
107.08584	45.5
109.02872	9.6
109.06498	13.9
109.10138	29.3
111.04428	6.2
111.08076	5.6
115.05430	9.4
117.06992	36.1
119.08567	58.3
121.02792	2.3
121.06482	10.0
121.10117	25.0
123.08038	10.9
123.11684	7.7
125.09606	9.3
127.03880	10.3
128.06216	8.0
129.05482	5.5
129.06981	27.8
130.07686	2.6
131.08548	45.7
133.06416	5.6
133.10112	35.5
135.08009	8.7
135.11626	11.9
137.09583	6.1
139.11057	2.8
141.06944	13.8
142.07747	7.9
143.08546	38.9
144.09309	4.1
145.06464	3.1
145.10107	37.9
147.08063	6.3
147.11665	21.9
149.09633	9.4
149.13231	9.6
151.07544	2.6
151.11197	3.3
153.06949	8.3
153.94337	2.6
155.08542	23.2
156.09270	6.6
157.10143	25.5
159.08012	4.1
159.11658	28.2
161.05968	3.6
161.09599	5.5
161.13284	12.8
163.11182	5.9
163.14819	4.0
165.06987	6.8
167.08531	14.5
168.09271	5.6
169.10127	27.4
171.08051	5.7
171.11620	23.8
173.04477	24.3
173.05864	4.3
173.09666	4.9
173.13269	11.8
175.11098	3.3
175.14684	3.6
177.12740	6.1
178.07820	4.4
179.08522	9.2
180.09309	3.8
181.10080	20.1
183.11676	27.2
185.09604	2.7
185.13237	16.9
187.11177	4.2
187.14801	8.1
189.12740	4.4
189.16324	3.1
191.08521	4.1
192.09291	2.8
193.10135	15.3
194.10814	2.9
195.11668	18.4
195.13496	4.5
197.13242	15.9
199.11139	5.7
199.14827	11.4
201.12764	2.8
201.16399	3.7
206.10939	3.7
207.11778	11.7
208.12279	4.7
209.13200	13.6
211.14848	9.7
213.12817	3.9
213.16364	5.4
219.11572	5.3
221.13249	12.8
223.14798	8.1
225.12753	5.7
225.16354	5.1
227.17894	2.9
229.19424	3.1
233.13274	4.7
235.14903	4.7
237.16391	7.3
239.17989	5.8
241.19547	6.0
247.20572	5.2
249.16370	4.3
257.18982	6.5
259.20496	7.8
265.19431	3.9
273.18579	3.7
275.17615	3.1
275.20175	19.3
276.20364	2.7
276.69958	2.7
277.19409	3.3
279.17584	3.2
281.17673	3.3
282.17484	4.0
285.18469	2.8
291.19485	10.4
292.19943	7.2
301.21564	2.9
301.38931	2.4
309.21817	3.3
311.23581	3.3
313.21588	3.4
315.23291	3.9
321.21930	4.1
325.21570	3.8
331.22958	3.3
335.25842	6.1
339.23013	5.1
349.24158	5.4
365.23322	3.4
367.22610	6.4
369.24280	3.8
441.26974	3.2
513.36108	2.8
515.38751	8.3
527.37628	3.1
533.40350	4.9
537.35968	4.3
539.37152	2.8
571.97980	3.0
572.36444	16.0
589.42023	4.8
605.41895	3.9
607.43549	100.0
607.74994	3.3
608.43677	10.9
625.44189	4.7
649.44055	2.8
661.44965	3.5
733.45941	4.7
750.06201	2.6
751.47247	8.9
769.48993	47.3
770.49139	7.1
770.76447	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	769.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.6
55.05272	2.8
55.05504	34.5
57.03439	12.5
57.07058	5.5
61.02909	10.6
63.02352	2.3
64.09253	2.1
65.03928	5.9
67.05494	80.8
67.43729	2.3
69.03419	36.9
69.07053	32.1
71.04967	12.7
73.02902	6.4
79.05480	82.0
81.02941	4.2
81.03404	64.0
81.07045	100.0
83.04964	17.9
83.08611	15.3
85.02898	18.6
85.06521	4.0
91.03936	5.9
91.05465	84.0
93.07033	73.9
95.04951	19.1
95.08591	65.7
97.02862	25.3
97.06503	12.9
97.10141	9.3
99.04442	9.6
99.08088	6.0
101.02336	2.6
103.05463	4.2
105.04524	2.6
105.07015	78.2
107.04936	9.6
107.08577	42.1
109.02863	14.3
109.06499	10.0
109.10132	27.1
111.04404	3.4
111.08082	6.6
115.05429	6.5
116.06268	2.5
117.06999	38.6
119.07724	4.7
119.08567	57.0
121.06467	7.7
121.10121	29.0
123.04393	2.9
123.08060	7.2
123.11673	5.5
125.09631	4.5
127.03875	11.0
128.06206	7.1
129.05469	5.3
129.06982	25.1
130.07784	2.6
131.08554	45.8
133.06441	7.6
133.10103	38.6
135.07997	8.5
135.11670	18.5
137.05917	3.5
137.09616	5.9
141.06960	13.9
142.07762	8.6
143.08546	30.3
145.06482	4.8
145.10112	42.9
147.08046	4.4
147.11650	27.4
149.09593	7.8
149.13248	10.8
151.11166	3.2
153.06906	4.6
154.07771	2.6
155.08505	21.3
156.09297	3.0
157.06396	3.4
157.10123	26.6
159.11656	28.3
161.09679	4.5
161.13232	9.5
163.11198	5.8
165.06979	6.1
165.12743	4.4
167.08563	14.3
168.09248	3.7
169.10085	24.9
171.08070	4.5
171.11655	24.2
172.12431	2.8
173.04414	22.5
173.09650	5.6
173.13228	13.0
175.11134	6.8
175.14809	5.5
177.12708	3.2
179.08533	8.0
180.09175	3.0
181.06346	2.9
181.10083	15.0
183.08102	3.1
183.11612	23.4
185.09633	4.7
185.13225	15.5
187.11136	4.7
187.14803	7.2
191.08502	2.7
193.10129	8.5
193.11938	2.9
194.10828	3.7
195.11664	18.9
195.13464	3.6
197.13257	13.5
199.14815	8.4
201.12659	3.0
205.10159	3.9
207.11728	9.0
209.09578	3.8
209.13249	15.9
211.11208	3.7
211.14806	7.8
213.12823	3.2
213.16457	4.2
215.14229	3.5
219.11732	4.6
221.13280	14.5
223.11237	3.5
223.14755	8.4
225.16431	3.4
227.18002	3.1
229.16318	3.3
229.19406	3.3
235.14738	4.4
237.16351	7.3
239.17892	8.0
241.19574	6.0
247.14726	3.0
249.16402	4.2
251.18050	4.3
257.18906	6.5
259.20535	7.0
269.17224	2.6
271.20520	4.2
273.18579	4.5
275.20029	25.3
286.26468	2.7
297.18338	2.9
299.19949	3.1
301.21701	4.6
307.20380	3.6
315.23120	5.3
325.21466	3.0
333.24527	5.0
337.21512	4.1
339.23019	3.8
349.21341	3.9
351.23401	2.8
367.22687	8.8
385.23837	6.2
423.25525	2.7
441.26447	3.5
445.30957	2.7
459.27316	2.6
477.27997	3.5
497.37772	2.5
515.38904	6.0
589.42786	3.7
607.43530	71.0
608.43536	7.1
625.44672	4.2
649.43768	2.9
653.40192	6.5
671.41534	11.4
733.46082	7.5
751.47870	11.3
769.48755	37.6
770.48950	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	769.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.1
56.59322	0.1
57.03193	0.1
57.03428	1.2
59.04985	0.1
61.02920	0.1
63.96857	0.1
64.31786	0.1
67.05514	0.1
69.03419	10.5
69.07075	0.1
69.32008	0.1
70.03761	0.1
70.19839	0.2
70.20237	0.2
71.01343	0.1
71.04966	0.1
75.04458	0.2
77.03927	0.3
79.05496	0.2
81.03404	0.4
81.07050	0.2
85.02896	3.3
87.04455	2.2
89.03884	0.1
91.05476	0.2
93.07098	0.1
95.04951	0.6
95.08619	0.1
97.02880	3.3
97.06526	0.1
99.04443	0.3
102.04654	0.2
103.05452	16.3
104.05770	0.2
105.03371	0.1
105.04491	0.2
105.07000	0.1
107.08567	0.1
109.02861	0.3
109.10123	0.1
115.03926	1.8
117.03344	0.2
119.04930	0.1
119.08622	0.1
121.10116	0.1
127.03899	3.6
131.04906	100.0
132.05234	1.8
133.04935	1.2
141.06947	0.1
143.08496	0.2
145.02835	0.3
145.04932	0.3
149.05959	4.7
150.06274	0.1
153.01826	0.3
161.02362	0.1
161.42751	0.1
163.03874	0.2
163.71706	0.1
164.07095	0.2
167.07021	0.2
169.06520	0.1
175.03883	0.1
177.05417	0.7
178.02628	0.1
178.06244	0.6
179.03288	0.1
192.04269	0.1
205.05005	0.1
216.04173	0.1
217.04837	0.1
231.02817	0.1
231.06441	0.1
241.05023	0.2
243.06505	0.1
244.03629	0.1
245.08035	0.2
255.02890	1.4
257.08240	0.1
259.05981	0.3
263.09012	0.1
269.04431	0.4
269.08005	0.2
271.06000	0.1
275.09091	3.6
283.02332	0.3
283.05765	0.2
284.03000	0.1
284.06677	0.2
287.05447	1.4
289.15262	0.1
293.10156	12.3
294.10559	0.2
297.03940	0.5
299.05392	0.2
300.02670	0.4
301.07062	0.1
311.05505	0.1
312.06241	0.2
313.06915	0.2
315.04941	8.3
316.05280	0.3
329.06421	0.2
330.07294	3.9
331.07767	0.2
345.09634	29.5
346.09946	1.2
425.14313	0.2
588.26581	0.1
593.52710	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	769.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
56.78901	0.2
67.05505	0.2
68.99778	0.9
69.07061	0.9
70.72533	0.2
70.72889	0.4
79.05491	0.8
87.07785	0.2
97.06520	4.8
101.44235	0.2
127.03866	0.2
133.06453	0.3
135.04408	0.2
137.05902	0.2
137.32504	0.1
139.00237	1.0
147.04417	0.3
150.08041	0.1
151.07535	0.3
161.05968	0.4
162.06676	0.5
163.03897	1.1
164.04677	0.3
165.05406	0.5
165.09106	0.4
166.99686	0.3
167.07010	0.4
168.00612	0.9
168.01857	0.2
169.01308	0.5
175.03877	0.2
177.05492	0.5
178.06232	5.1
179.07004	1.2
180.07779	0.2
185.00806	1.3
186.01558	0.7
191.03299	0.5
191.07037	0.9
192.07823	0.3
193.08551	1.9
194.09395	0.3
203.03268	0.3
205.04927	0.4
206.05722	0.4
216.79433	0.1
217.04871	0.2
218.05649	0.3
219.06557	0.3
221.08012	0.2
229.05052	0.2
231.02925	0.3
232.97946	0.2
235.09557	0.3
242.05667	0.2
243.06471	0.2
245.04459	0.4
246.05219	1.6
247.06143	0.2
257.04462	0.4
259.02353	0.5
270.05148	0.5
271.02267	0.2
271.05951	0.2
273.03888	0.4
274.04684	6.0
275.05261	0.4
277.03467	0.3
285.03845	0.5
287.05597	0.4
288.06323	0.5
289.07053	0.3
292.05811	0.4
299.05518	0.6
301.03430	1.3
301.06738	0.3
303.04922	0.5
312.06229	0.3
313.03488	0.8
313.06863	0.2
314.07608	0.2
315.04895	0.7
316.05725	3.6
317.06433	0.7
327.04953	0.3
328.05707	0.7
329.02859	1.2
329.06531	1.0
329.09995	0.3
330.03329	0.2
330.07248	0.2
331.04437	3.1
331.08026	19.4
332.08475	0.7
342.07254	0.4
344.05185	0.4
345.05960	0.9
345.09686	0.4
346.06845	2.9
347.06958	0.2
359.07553	14.2
360.08255	1.8
361.09094	4.9
362.09241	0.3
399.10513	0.2
401.15793	0.2
409.09488	0.2
413.12268	0.2
427.10159	5.7
428.10034	0.2
441.11813	0.5
442.12531	1.8
457.14868	100.0
458.09204	0.3
458.15231	4.8
458.21692	0.2
475.15988	7.7
476.16458	0.4
494.02316	0.2
565.84839	0.2
647.00049	0.2
751.24121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08378	0.2
69.03384	0.2
70.06515	0.3
76.45972	0.2
77.76829	0.2
80.52888	0.2
80.55089	0.1
81.06994	0.2
81.33955	0.2
85.02881	0.2
91.05380	0.2
93.06999	0.2
97.02827	0.8
97.06435	0.2
98.21554	0.4
103.05394	0.2
105.06963	0.3
109.02798	0.2
117.03326	0.5
119.04842	0.3
123.04356	0.4
131.04854	0.3
137.05954	0.3
143.08585	0.2
145.02837	1.0
147.04398	1.8
149.05917	0.3
153.01788	1.2
161.02252	0.3
161.05853	0.2
163.03854	0.6
167.03310	0.2
167.07016	0.9
167.50108	0.2
177.05438	2.7
178.02634	0.3
178.06224	3.1
179.03207	0.2
183.02837	0.2
184.70712	0.2
189.05531	0.2
204.04121	0.4
216.04193	0.8
217.04930	0.4
228.04025	0.2
231.02911	0.2
231.06404	0.6
241.04956	0.6
243.06541	0.5
244.03616	0.6
245.08038	0.3
255.02846	5.3
256.03546	0.2
257.04578	0.2
259.05963	1.4
261.07489	0.3
269.04446	1.8
271.06110	0.3
272.03180	0.4
281.04474	0.5
283.02322	1.3
283.05927	0.6
284.03265	0.3
284.06656	0.4
285.03778	0.2
285.07614	0.4
287.05475	6.3
297.03900	1.8
299.05502	1.1
300.02673	2.5
301.03195	0.2
301.07007	0.5
311.05444	0.4
312.06268	1.2
313.06992	0.8
314.07709	0.3
315.04932	38.8
316.05212	1.2
317.10083	0.3
329.06561	0.8
330.07294	17.4
331.07739	0.5
345.09634	100.0
346.10034	3.1
364.75122	0.2
507.15121	0.5
568.38000	0.2
668.44843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63500	0.3
76.95712	0.1
81.07042	0.3
83.04974	0.2
85.02891	0.1
85.38400	0.2
91.05475	0.2
95.04965	0.2
95.08568	0.2
97.02890	0.9
105.06985	0.3
107.04913	0.2
109.31786	0.2
111.43340	0.2
117.03349	0.5
117.06975	0.2
119.08602	0.2
123.04415	0.3
126.03113	0.2
131.04922	0.3
133.06523	0.2
133.10060	0.2
137.05957	0.3
145.02794	1.2
147.04404	0.9
149.05913	0.3
151.03929	0.2
153.01843	1.1
161.02347	0.2
162.06688	0.2
163.03880	0.8
164.51828	0.2
167.07040	0.6
169.01306	0.1
170.02100	0.5
177.05441	2.1
178.02586	0.5
178.06224	3.0
179.03348	0.4
183.02815	0.2
189.05402	0.2
204.04146	0.4
213.05321	0.2
216.04109	0.8
217.04929	0.6
227.03450	0.3
228.04135	0.2
231.02988	0.2
231.06487	0.7
241.04915	0.5
243.06522	0.5
244.03665	0.8
245.04358	0.2
254.60580	0.2
255.02838	6.1
259.06009	1.9
261.07550	0.2
269.04401	2.2
272.03067	0.4
281.04465	0.3
283.02304	1.4
283.05563	0.3
283.85510	0.2
284.03076	0.5
284.06409	0.3
285.03925	0.4
285.07520	0.3
287.05463	6.5
297.03922	1.7
299.05426	1.1
300.02603	2.5
301.03543	0.3
301.07272	0.2
311.05386	0.4
312.06161	1.1
313.06927	1.1
315.04941	39.9
316.05249	1.0
329.06509	1.0
330.07285	17.9
331.07831	0.5
345.09628	100.0
346.09967	3.0
355.05368	0.2
360.92572	0.2
394.11072	0.2
507.14575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95613	0.1
57.03427	1.3
59.04976	0.3
63.02375	0.1
69.03420	9.7
71.01344	0.2
77.03511	0.2
77.03937	0.5
81.03394	0.3
81.07053	0.2
85.02892	3.6
87.04452	2.1
95.04956	0.7
97.02882	3.2
97.06558	0.1
98.21484	0.2
99.04443	0.2
102.04613	0.2
103.05452	15.8
104.05785	0.2
105.07073	0.2
109.02889	0.3
111.04307	0.1
115.03911	1.8
117.03283	0.2
127.03906	3.7
131.04907	100.0
132.05228	1.8
133.04945	1.3
133.09996	0.1
139.39543	0.1
143.08514	0.1
145.02885	0.2
145.04980	0.6
149.05959	5.5
153.01784	0.2
163.03894	0.2
164.07080	0.1
171.02583	0.1
177.05522	0.8
178.06223	0.9
199.07491	0.1
216.04195	0.2
227.06995	0.2
231.06566	0.1
237.31157	0.1
243.06339	0.2
244.03529	0.2
245.07959	0.2
255.02832	1.2
255.42804	0.1
257.08237	0.2
259.05945	0.4
269.04382	0.5
275.09094	3.9
276.09479	0.1
283.02390	0.3
284.03250	0.2
287.05524	1.4
293.10153	13.5
294.10477	0.4
297.03876	0.2
298.04376	0.2
299.05539	0.2
300.02551	0.5
301.06839	0.1
312.06253	0.3
313.07108	0.3
315.04944	8.1
316.05264	0.4
329.06445	0.3
330.07281	4.4
331.07932	0.2
345.09634	32.3
346.10019	1.3
425.14334	0.3
484.77213	0.2
508.72015	0.1
571.86737	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	768.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05507	21.6
57.03429	5.8
59.04976	0.8
61.02908	1.4
65.03917	2.8
67.05494	39.5
69.03424	8.2
69.06707	1.4
69.07060	26.0
69.71620	3.4
69.72025	2.1
71.04971	2.4
73.42952	0.9
73.76926	0.9
79.05482	46.8
81.03408	8.4
81.07048	34.2
83.04988	8.5
83.08611	8.5
85.02882	1.6
85.06508	2.0
91.05472	39.5
92.05787	1.2
93.07031	40.5
95.04958	16.8
95.08591	18.1
97.02856	7.8
97.06512	4.5
97.10168	8.5
103.05404	1.1
105.04464	1.1
105.07018	26.7
106.07327	1.0
107.04948	7.5
107.08569	15.5
109.06506	5.0
109.10136	6.5
111.04440	1.1
111.08060	2.6
115.05420	1.6
117.07010	11.3
119.04948	1.1
119.08569	19.4
121.06474	3.6
121.10130	6.3
123.08073	4.6
123.11671	1.8
125.09571	5.1
128.06206	2.6
129.06987	9.7
131.08536	7.8
133.06464	2.7
133.10095	10.5
135.08031	3.5
135.11642	3.2
137.09560	2.4
141.06931	1.8
142.07768	1.0
143.08565	6.6
145.06415	1.2
145.10100	10.5
147.08025	5.9
147.10579	1.7
147.11664	15.9
149.09566	2.6
157.10104	3.1
159.11667	4.1
161.09602	4.1
161.13223	6.3
163.11128	2.2
165.09154	1.4
169.10088	2.6
171.11664	13.4
175.11150	2.7
177.12744	1.6
189.11148	3.8
189.12750	5.4
207.13779	13.1
220.37215	1.1
223.13234	11.3
227.12785	3.7
249.14798	2.7
267.15967	1.2
273.18491	12.9
275.20285	1.1
276.20328	1.0
281.17429	45.4
291.19504	76.1
292.19760	2.3
293.43582	1.1
347.22128	2.4
365.23184	28.5
473.28867	2.8
491.30222	1.1
553.34869	2.8
571.36218	100.0
572.36499	5.2
607.43439	4.0
648.89911	1.0
769.47998	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	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
55.05505	29.8
57.03419	9.3
65.03920	3.9
67.05497	96.4
68.12582	3.0
69.03421	6.8
69.07063	21.5
69.73749	3.2
71.04993	5.8
71.58899	3.1
71.59308	4.2
79.05486	82.9
81.03414	15.1
81.07047	86.9
83.04974	21.4
83.08608	10.5
85.02881	3.3
85.06540	6.5
91.05476	91.8
92.05835	3.3
93.07040	87.2
94.07372	3.2
95.04959	30.1
95.08606	38.6
96.08955	3.9
97.02873	2.8
97.06521	8.3
97.10162	7.8
103.05549	3.0
105.07024	76.1
107.04945	12.1
107.08574	42.1
109.06509	14.0
109.10152	48.7
111.08047	3.3
117.07017	18.7
119.08586	29.8
121.06509	9.3
121.10142	12.0
123.08070	12.4
123.11726	7.7
128.06227	3.7
129.06979	22.8
131.08542	16.0
133.06482	10.0
133.10112	58.1
135.08022	8.2
135.11685	7.2
137.09531	3.4
143.08554	16.2
145.10121	17.1
147.08049	5.3
147.11678	35.1
149.09601	9.7
149.13226	5.1
151.11166	20.0
157.10109	4.9
159.07997	3.2
159.11671	5.6
161.09612	14.6
161.13280	10.5
163.11127	4.4
164.23146	2.7
169.10136	4.5
169.12268	4.7
171.11665	28.0
175.11215	3.5
177.09036	4.6
189.12755	10.5
195.11629	3.4
207.13786	24.4
215.12625	3.5
227.17741	3.1
245.19077	7.3
253.14339	100.0
255.17439	3.2
260.77588	2.7
273.18469	34.0
281.17422	63.9
291.19531	48.4
347.22278	16.0
365.23187	36.9
432.19580	2.7
475.27090	4.8
477.28424	29.4
553.35590	17.1
571.36267	94.6
572.36517	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	769.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
61.02919	0.9
63.02369	0.8
68.99780	1.3
69.03418	1.6
69.39622	0.2
69.42847	1.8
71.01356	0.5
78.04737	0.2
79.05460	0.2
81.03405	1.4
81.52384	0.2
85.02866	0.3
87.00806	0.5
89.03905	7.1
91.05457	0.5
93.07026	0.3
95.04935	0.3
97.02882	0.6
98.21445	0.4
103.05456	0.7
103.11079	0.2
106.04166	0.4
107.04911	0.2
109.02867	4.8
117.03365	22.0
117.07029	0.2
119.04914	0.3
121.06532	0.2
123.04426	0.4
127.03884	0.7
127.05419	0.2
128.06245	0.4
129.01817	1.3
129.07028	1.0
131.04897	0.9
131.08549	0.3
133.06520	0.2
134.03603	1.2
135.04387	1.7
137.05980	0.6
140.02351	0.2
141.06984	0.7
143.04958	0.3
143.08553	0.5
144.05693	0.6
145.02829	65.9
146.03165	0.9
147.02890	1.0
147.04395	0.6
149.05962	8.5
151.03885	0.7
153.06963	0.3
155.04921	0.8
156.05708	0.7
157.06454	1.2
158.05974	0.2
159.04463	0.5
160.00180	0.2
160.05235	0.3
161.05959	0.8
163.03860	0.9
163.07472	0.4
167.04863	0.2
168.05733	0.3
169.06476	0.7
171.08018	0.8
172.05167	0.9
173.05936	0.8
174.06725	0.8
175.03955	0.2
175.07556	1.0
177.05444	100.0
178.05820	2.2
179.03337	0.5
181.06418	0.4
183.04422	0.7
184.05124	0.4
185.05951	0.6
186.05447	2.1
186.06921	0.3
187.07526	2.0
189.05455	1.2
189.09036	0.4
191.07054	0.4
197.05951	0.5
199.07500	1.7
200.04657	0.7
201.05438	1.7
203.06920	0.2
205.05043	0.3
205.08594	0.3
209.06049	0.2
211.03918	0.5
213.03917	0.7
213.09116	0.2
214.06264	0.2
215.07021	6.1
216.04163	0.3
217.04984	0.3
217.08583	1.8
219.06537	0.4
225.05420	0.6
226.06108	0.2
227.07088	0.3
228.04112	0.6
229.04980	0.4
229.08575	0.8
231.06483	1.3
233.08043	3.9
239.06961	0.3
241.08566	0.8
242.05536	0.3
243.06462	3.7
245.08000	0.7
253.04767	0.3
255.02864	0.7
257.08051	3.2
261.07550	34.8
262.07834	1.1
267.06558	0.3
270.05133	0.2
285.07535	6.4
287.05429	0.7
299.09012	0.4
303.08594	7.7
304.08768	0.2
315.04965	3.9
321.09653	0.7
329.10269	0.2
330.07285	2.1
345.09647	12.5
346.09918	0.5
350.29947	0.2
357.09552	0.6
358.09811	0.5
389.08603	0.8
407.09708	5.0
408.09891	0.3
425.10727	10.2
426.11044	0.4
433.50189	0.2
475.14209	0.8
771.71570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81076	1.9
53.83418	1.7
55.01858	6.6
55.05504	36.0
57.03426	7.0
57.07069	3.1
59.93474	2.1
65.03928	8.3
65.11475	1.5
67.05495	100.0
68.60374	1.8
69.03416	3.6
69.07058	22.9
69.18073	1.6
71.04982	4.5
71.21497	3.4
73.74349	1.8
79.05481	90.8
81.03414	11.9
81.07043	96.9
83.04975	4.2
83.08604	13.9
85.06536	3.0
91.05467	60.1
93.07030	83.7
95.04948	14.9
95.08593	66.6
97.06515	8.3
97.10155	5.2
99.08118	2.7
103.05456	4.4
105.03369	1.7
105.04487	2.6
105.07014	37.0
107.04959	2.4
107.08583	37.4
109.06501	5.9
109.10138	24.5
111.08067	4.7
113.05980	1.9
115.05451	9.3
117.07008	14.4
119.08562	26.8
121.10130	30.4
123.04424	4.7
123.08059	3.4
123.11696	6.9
125.09632	5.2
126.04726	1.8
127.03937	2.2
128.06195	2.9
129.06995	9.7
130.04111	2.0
131.04897	4.7
131.08543	24.1
133.06525	2.7
133.10127	16.5
135.11679	17.5
137.09589	3.0
139.11171	2.3
141.06969	6.7
142.07794	2.9
143.04909	5.2
143.08557	4.7
144.05669	2.5
145.06471	5.0
145.10104	14.3
147.04391	4.7
147.11635	14.6
148.05159	5.5
149.05940	3.4
149.09637	3.1
149.13240	7.7
152.06226	2.4
153.06970	10.7
155.04890	1.9
155.08559	5.8
157.06458	6.5
157.10135	4.3
157.27177	2.0
157.53401	1.8
159.04318	3.6
159.11617	9.3
160.05208	5.8
161.05956	30.4
161.13289	9.9
162.06749	7.9
163.11212	3.2
163.14815	2.5
165.06938	12.6
165.12642	2.1
167.08586	7.9
168.05669	2.9
169.06459	9.5
169.10143	2.1
171.08064	3.3
171.11713	2.2
172.05148	9.4
173.05962	31.8
173.13272	6.8
174.06731	9.0
175.03914	4.2
175.07501	4.4
175.11172	3.5
175.14807	3.3
177.05440	5.0
178.06310	2.7
179.08508	3.1
181.06450	24.1
181.10083	2.1
182.07164	4.5
183.08020	7.3
183.11794	1.8
184.05154	2.0
185.05971	18.2
185.09431	1.9
185.13168	2.6
186.06668	9.2
187.07561	10.1
187.14828	2.8
188.08282	3.3
189.05469	4.2
190.06088	2.8
191.08534	2.5
193.06459	9.0
193.12250	2.3
194.07182	2.9
195.08029	15.8
197.05951	16.1
198.06645	4.5
199.07500	31.3
200.08189	3.9
201.05443	5.7
201.09056	4.2
203.03435	7.0
203.07037	3.5
207.08069	7.0
207.11818	2.2
209.05951	8.1
209.09480	2.7
210.06732	6.2
211.07497	42.3
212.08125	2.3
213.05478	11.0
213.09058	22.6
214.09840	4.3
215.06963	5.2
217.04953	4.0
218.07188	2.3
219.08012	6.1
221.06056	3.2
221.09503	2.9
222.06693	2.1
223.07451	13.6
224.08228	3.4
225.05510	9.2
225.09076	7.4
227.06923	10.7
227.10564	3.8
229.04926	4.3
231.02760	2.2
233.04425	8.0
235.07535	2.8
237.05458	8.1
237.09090	6.7
238.09625	2.4
239.06961	14.3
239.10754	2.9
241.04857	10.9
241.08626	3.1
243.06483	4.5
243.20880	3.8
245.04343	3.0
247.07523	6.0
249.09027	3.6
250.09816	1.9
251.07056	5.2
251.10689	4.8
253.04929	7.5
253.08585	3.7
255.06375	9.3
255.13759	4.5
256.14523	31.5
257.04358	6.4
259.06039	5.0
259.10974	2.7
259.20462	3.3
261.22110	22.3
263.07031	2.2
263.10730	2.8
265.05011	5.3
265.08282	3.2
266.12909	12.3
267.06461	9.4
269.08090	2.2
271.06058	6.5
275.06976	2.5
277.21573	2.3
279.06494	5.9
279.23120	2.9
281.07925	2.5
283.05978	53.8
283.13132	4.1
284.14014	38.1
285.07632	5.7
293.08243	2.6
293.15417	3.8
297.07526	2.0
299.05710	2.9
302.15106	16.5
303.13797	6.6
305.15262	2.5
311.09070	2.6
313.11923	2.6
317.24820	5.9
321.14905	16.1
323.16425	3.3
331.13171	5.1
335.25760	81.5
336.26358	2.5
339.15860	15.2
349.14288	17.6
351.12115	2.1
351.15775	3.0
353.13892	4.2
358.17810	3.2
359.12686	4.5
367.15247	18.1
369.13251	3.6
377.13745	27.8
385.16531	4.0
395.14789	28.1
413.15933	8.0
423.17935	2.1
425.19873	3.0
441.18637	4.1
451.17496	2.2
469.18518	10.3
487.19537	46.4
488.19647	3.1
504.35849	2.0
540.35461	2.5
618.99432	1.8
636.39929	3.1
655.36334	4.4
729.39484	6.2
747.40753	27.2
748.40851	4.3
765.42102	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	761.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01862	1.1
55.05497	2.5
57.03418	1.7
59.04985	1.5
61.02922	4.3
67.05495	4.5
69.03400	3.4
69.07046	1.5
69.50861	0.7
69.82339	4.5
71.04976	2.3
73.02901	2.6
79.05485	5.7
81.03411	6.1
81.07049	6.5
83.04971	1.6
83.08611	2.4
84.08137	0.9
85.02897	4.1
85.06524	1.2
86.10826	0.7
87.04484	1.1
91.03947	1.8
91.05471	5.8
93.07018	5.3
95.04962	3.9
95.08601	3.8
97.02875	5.6
97.06507	2.1
98.20773	1.2
99.04453	1.1
101.02362	2.0
103.03891	1.1
105.07018	4.6
107.04948	0.8
107.08596	2.5
109.02846	1.4
109.06512	0.9
109.10131	2.1
111.04441	0.8
119.08563	3.3
121.10103	4.5
124.53120	0.8
127.03913	2.8
129.07007	1.4
131.08553	4.0
133.10118	2.6
137.06018	0.9
139.87187	0.8
145.02872	1.0
147.04378	1.5
147.08089	0.8
147.11711	2.8
149.09608	3.4
157.10132	2.8
163.03789	0.9
165.09134	1.7
175.11157	1.7
176.94565	0.7
177.05536	2.0
193.12276	3.1
197.15427	1.8
225.14865	1.4
243.08432	3.1
267.16055	2.2
283.15143	6.8
315.04904	1.0
316.05466	1.3
339.17612	1.7
345.09760	3.2
346.09937	2.2
347.10168	1.8
469.20279	0.8
501.23016	33.4
688.16870	1.2
717.26801	2.1
761.39124	100.0
762.39270	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	765.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
55.05275	2.2
55.05505	30.8
57.03417	7.9
57.07065	3.0
65.03926	7.0
66.41689	1.7
67.05495	100.0
69.03419	3.2
69.07059	22.3
71.04987	4.9
71.08643	1.6
71.63832	2.5
77.03902	2.5
79.05482	82.7
81.03424	10.4
81.07043	85.1
82.07358	1.7
83.04963	3.9
83.08604	14.1
91.04928	3.2
91.05472	60.3
91.06042	3.3
93.07033	78.4
94.07304	2.0
95.04942	14.9
95.08590	63.6
97.06515	5.2
97.10162	5.2
103.05444	2.5
105.04464	3.1
105.07014	39.1
107.04935	3.6
107.08580	36.3
109.06496	4.1
109.10140	30.9
111.08061	3.8
115.05449	7.7
117.06998	12.2
119.08566	29.8
121.06490	3.3
121.10133	38.8
123.04350	2.9
123.08061	3.3
123.11700	9.1
125.09596	4.7
128.06239	1.7
129.07001	10.2
131.04887	2.0
131.08557	23.8
133.10117	21.6
135.08031	2.4
135.11668	19.4
137.09567	3.1
137.13240	3.2
139.67548	1.9
141.06972	4.8
143.04913	3.1
143.08543	5.2
144.05725	2.2
145.06436	3.5
145.10135	13.4
147.04343	3.7
147.11641	11.8
148.05174	4.7
149.05965	2.8
149.09572	5.7
149.13200	9.6
152.06174	3.0
153.06950	9.5
155.08525	3.7
157.06488	4.1
157.10098	5.4
159.04413	6.2
159.11612	11.0
160.05148	6.9
161.05952	22.6
161.13225	7.5
162.06744	7.4
163.14769	5.4
165.06918	9.1
165.12668	2.3
167.08554	5.7
169.06465	7.6
169.10225	1.9
171.08054	1.9
171.11662	2.1
172.05162	5.2
173.05946	24.5
173.13287	8.5
174.06705	7.6
175.03880	5.1
175.07446	2.5
175.11124	3.0
175.14781	2.5
176.04747	2.0
177.05392	2.1
179.08521	4.1
181.06448	17.2
182.07309	2.8
183.08020	5.6
183.11673	2.1
185.05956	16.6
185.13264	3.1
186.06743	4.3
187.03810	3.1
187.07524	10.3
187.14822	4.6
188.08287	2.2
189.05447	5.8
191.08543	2.8
193.06499	4.3
193.10138	2.1
195.08051	9.6
197.05934	14.8
197.13228	2.7
198.06688	3.9
199.03778	2.0
199.07535	23.2
200.08290	2.3
201.05486	5.4
201.09082	5.7
203.03326	4.7
203.07031	2.6
205.06523	4.1
207.08072	5.0
209.05974	4.2
209.09505	2.3
210.06750	2.4
211.07503	26.1
213.05501	11.4
213.09076	15.4
215.07040	4.8
215.63774	1.9
217.04907	4.8
219.07954	4.1
221.06018	2.7
221.09558	2.4
223.07573	10.2
225.05411	7.2
225.08965	8.2
227.07063	11.6
228.11349	3.8
229.04900	7.3
231.02925	11.2
233.04404	7.7
233.09573	4.6
233.22591	2.1
235.07535	4.5
237.05386	5.1
237.09102	4.7
239.06943	9.7
239.10683	2.7
241.04919	6.9
241.08499	2.1
243.06552	4.2
243.21011	6.5
245.04381	9.5
247.07603	3.8
249.09135	3.0
251.06990	5.9
251.10661	3.6
253.05067	8.0
253.08514	3.0
255.06438	9.2
255.13739	3.0
256.14514	21.4
257.04449	12.4
259.06027	5.4
259.20538	4.2
261.19394	2.3
261.22086	24.7
265.04813	3.2
265.08615	3.1
265.12128	3.3
266.12994	7.2
267.06494	7.6
271.05988	12.7
273.07416	2.7
274.15701	2.1
277.12158	2.9
279.06473	4.0
279.10489	2.5
279.14020	2.7
279.23062	2.6
283.05972	30.7
283.08984	3.2
284.14014	27.0
285.07446	5.1
293.08154	2.5
293.15347	3.5
297.07571	3.4
302.15005	11.5
303.13657	4.5
311.09140	2.6
317.24765	6.9
321.14780	11.3
331.13284	2.0
335.25726	84.1
336.26050	3.3
339.12146	2.7
339.15826	14.3
340.16501	2.5
341.13992	3.2
349.14270	14.0
351.12186	7.8
351.15894	2.9
353.14023	2.4
353.26929	2.7
358.17838	3.5
359.12659	4.6
367.15350	18.6
369.13205	10.9
377.13754	23.4
379.15344	2.3
383.14807	2.2
385.16428	5.5
387.14273	4.1
395.14771	29.8
409.60794	1.8
413.15781	9.3
423.18506	2.4
431.16733	2.4
451.17474	3.2
469.18512	13.0
487.19589	48.6
487.26520	2.4
488.19556	2.5
505.39023	2.2
637.34705	2.7
655.35919	5.8
673.37177	3.1
690.28363	2.2
729.39496	3.8
747.40985	19.9
765.42639	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.0
55.01849	3.3
57.03420	11.0
61.02921	7.8
69.03419	39.1
71.35358	5.7
73.02888	4.9
81.03394	12.2
85.02386	5.4
85.02890	88.4
87.04450	8.1
87.39152	3.4
91.03947	3.2
95.04936	4.3
97.02885	30.8
103.03912	4.4
105.03377	2.9
107.04923	3.7
109.02851	8.2
115.03972	5.6
121.02841	12.0
123.03506	5.7
123.04411	100.0
127.03901	15.8
133.02834	5.1
133.04921	9.4
135.04401	5.5
137.02321	5.0
139.03867	10.5
145.04933	9.2
147.04376	5.0
149.02289	6.4
151.03928	5.9
153.01816	6.1
161.02275	6.8
163.03906	6.4
165.01857	17.9
173.02328	19.0
177.01810	28.1
179.03413	6.6
181.06422	4.1
183.02849	16.2
187.03889	7.5
189.01846	5.8
189.05457	3.6
191.03389	19.0
193.01331	3.6
193.04961	3.5
195.01230	5.6
195.02870	48.7
199.07504	3.6
203.03355	6.7
205.04887	6.6
207.02873	8.3
215.03360	9.5
217.05025	4.2
219.02899	27.0
227.07010	5.2
229.04953	4.2
231.02789	16.7
233.04382	9.9
237.03889	13.3
243.02957	5.2
249.03896	18.2
255.06432	23.9
257.04495	4.4
259.06058	4.2
261.03842	22.9
269.08139	5.1
271.05930	9.7
273.03979	8.6
273.07553	14.9
279.04785	5.4
283.05896	21.2
287.05515	5.2
297.07291	10.5
299.05472	8.9
301.07022	44.9
303.04956	8.9
305.06555	6.0
311.05453	12.9
317.06546	32.9
321.06174	4.0
323.05359	3.9
325.06845	18.6
329.06488	53.0
339.07373	10.0
347.07584	96.8
348.08005	4.1
353.06482	6.5
359.07541	4.5
367.08224	7.7
371.07648	41.4
371.82242	3.3
375.82886	3.4
381.08188	3.6
383.07593	12.3
393.07794	5.2
395.07614	9.4
401.08383	5.5
411.08759	4.0
413.08688	35.8
425.07947	4.2
429.10013	9.1
431.09659	31.9
432.09512	3.2
449.10812	38.8
473.10229	4.4
545.12457	5.0
593.14569	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	760.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01858	4.8
55.05249	1.4
55.05502	23.5
55.45734	1.4
57.03428	19.5
57.07057	3.2
58.66294	1.4
59.04972	1.3
61.02904	2.0
65.03917	3.3
67.05495	63.0
67.39952	1.2
69.03420	4.3
69.07055	17.7
69.35965	5.7
69.36393	6.5
71.04971	3.8
79.05480	56.1
81.03403	100.0
81.07040	71.4
81.79132	1.4
83.04967	6.4
83.08601	23.1
85.02888	2.8
85.06516	2.6
86.09665	1.8
91.05463	40.2
93.07028	54.4
95.04953	29.7
95.08591	51.2
97.02897	2.3
97.06515	6.2
97.10146	8.0
99.08056	1.9
103.05476	1.8
105.06348	3.0
105.07008	32.4
107.04946	7.8
107.08574	30.8
109.06477	6.0
109.10134	20.1
111.04417	2.1
111.08070	5.9
112.94926	1.4
115.05432	3.7
117.07008	10.5
119.08563	27.1
120.18896	1.3
121.06482	4.7
121.10127	27.2
123.04382	2.3
123.08058	3.6
123.11642	6.6
125.09639	4.4
129.06987	12.2
131.08556	22.3
133.06494	3.4
133.10088	18.6
133.64685	1.5
135.08051	2.1
135.11664	12.3
137.09596	2.1
139.11153	2.0
142.07773	1.8
143.08528	3.0
145.06436	1.4
145.10104	11.2
147.07986	3.3
147.11667	12.5
149.09593	6.6
149.13234	8.0
155.08553	2.1
157.10110	8.8
159.11688	7.4
161.13266	5.6
163.11108	2.2
163.14824	3.8
165.12680	2.3
169.10147	1.9
171.11664	1.9
173.11819	1.7
173.13225	5.6
175.11140	7.3
175.14803	2.0
185.13277	2.7
187.14825	3.3
189.11131	4.6
189.12714	1.6
193.12199	22.8
199.14896	1.7
201.16400	2.2
209.13368	1.8
221.89644	1.8
227.12630	7.7
243.21060	4.3
249.14952	2.2
261.22101	16.0
267.15866	78.8
268.16254	3.4
285.16724	2.4
301.25253	4.3
309.16925	3.0
317.24594	3.3
335.25754	73.4
343.86304	1.6
379.93222	1.5
417.31644	1.5
435.32544	3.4
453.33447	6.5
471.34570	3.8
527.37207	48.4
528.37598	2.5
545.30286	2.4
545.38269	32.9
546.39240	2.1
549.16553	1.8
563.38782	2.8
569.38049	2.5
635.39655	1.8
760.43011	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	760.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01863	1.1
55.05492	2.9
57.03421	1.5
61.02905	2.3
62.06081	17.4
63.65155	0.6
65.27284	0.7
67.05479	1.8
69.03410	2.4
69.07063	1.0
69.41867	1.6
69.42265	6.3
70.06562	1.0
71.04976	2.7
73.02856	0.8
79.05473	2.4
81.07030	3.0
83.04974	0.8
83.08598	2.3
85.02885	5.5
91.03930	1.0
95.08562	1.2
97.02870	2.3
97.10132	0.9
98.20708	1.5
107.08562	1.4
111.08042	0.9
115.03930	1.0
120.26358	0.7
121.02851	0.9
125.09594	1.0
129.05490	1.2
133.04962	1.0
137.02263	1.3
141.07031	1.7
145.06514	1.3
147.04492	0.8
149.06000	0.7
153.06984	2.4
155.08487	2.3
156.05655	1.3
160.05170	2.0
162.81145	0.7
165.06985	5.9
167.08559	2.1
168.05698	2.8
169.06459	2.7
171.08032	1.5
172.05150	5.4
173.05959	12.1
174.06778	4.4
177.05464	2.6
177.06914	0.8
181.06450	11.2
182.07277	1.5
183.08052	5.5
185.05984	4.3
186.06754	7.3
187.07501	1.0
191.08569	1.7
192.07841	1.0
193.06477	7.0
194.07231	0.7
195.08051	9.5
197.05884	4.6
198.06685	4.3
199.07507	15.1
200.08258	1.2
201.05273	0.7
201.09099	0.9
205.06540	1.0
207.07951	1.4
209.05887	4.4
209.09572	2.2
209.13336	0.9
210.06737	4.1
211.07506	17.5
212.08202	1.4
213.05644	1.8
213.09056	21.4
214.09824	4.2
219.08087	2.2
221.05948	2.3
223.07486	5.6
224.08240	1.0
225.05446	2.1
225.09105	1.7
227.06990	1.0
227.14232	0.8
233.06075	1.4
233.09598	2.0
235.07529	2.1
237.05421	5.9
237.09071	2.7
237.12747	1.4
238.06219	1.3
238.09897	1.1
239.06967	7.2
239.08757	0.7
241.04968	6.1
247.07474	1.5
248.11960	1.6
250.06454	0.7
251.06992	4.1
253.05003	1.8
253.08495	0.9
255.06458	3.4
255.13750	2.2
256.14542	28.6
259.10889	1.1
265.04916	5.0
265.08487	1.9
265.12152	1.2
266.12982	18.1
266.15649	1.3
267.06470	8.7
275.07001	1.8
275.14349	1.2
278.09427	0.7
279.06625	5.6
279.09671	1.1
283.05969	70.8
284.06442	2.1
284.14023	41.6
285.12625	1.0
287.05469	3.3
288.05811	1.7
288.82285	0.7
293.08093	2.5
293.15308	1.5
297.99347	0.7
299.05493	1.1
302.15128	6.9
303.13696	3.4
305.15268	1.6
309.07492	1.5
313.12238	1.9
319.04446	10.5
320.04779	6.8
321.14777	7.0
323.16522	1.7
331.13235	2.9
333.14896	1.5
349.14288	10.8
351.15820	3.5
358.17603	8.3
359.12845	4.5
367.15414	5.4
376.18811	2.6
377.13773	29.5
379.15262	1.4
392.08389	1.2
395.14828	19.9
413.15915	30.7
414.16385	0.7
451.10385	1.2
451.17358	1.1
452.10474	4.1
466.09836	0.7
469.18512	37.3
487.19568	100.0
488.19907	3.1
790.84125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	0.8
55.05501	2.9
57.03435	2.3
57.07061	0.8
59.15311	0.4
59.22367	0.4
61.02916	4.8
63.70086	0.4
65.02827	0.5
65.03922	0.5
67.05496	7.6
68.71503	0.4
69.03425	2.7
69.07059	1.7
70.85551	1.3
71.04974	1.0
73.02900	3.0
74.43298	0.4
75.72981	0.4
79.05480	8.3
81.03406	3.5
81.07040	7.4
82.07369	0.6
83.04964	1.9
83.08626	1.2
85.02888	4.6
91.03936	2.8
91.05457	6.6
93.07025	8.2
95.04944	2.0
95.08588	4.5
97.02872	3.5
97.06506	0.7
97.10180	1.0
99.04472	0.8
101.02377	1.7
104.90215	0.4
105.07018	6.7
106.07366	0.5
107.04932	0.8
107.08594	3.3
109.02876	0.5
109.06503	0.7
109.10138	2.1
111.04456	0.6
117.07000	1.6
119.08575	3.5
121.10110	2.5
123.08080	0.5
123.11706	0.8
127.03909	1.2
127.43033	0.4
129.06961	2.1
129.51726	0.4
131.08511	2.0
133.10130	2.2
135.08046	0.5
135.11690	1.5
142.41127	0.4
143.08569	1.3
145.10101	1.5
147.08028	0.5
147.11687	2.1
149.13243	1.0
155.08627	0.5
159.11713	0.9
161.13231	0.8
163.11186	1.1
171.11708	1.6
173.09656	0.6
173.13274	0.7
175.14865	0.6
176.41306	0.4
185.04260	0.7
191.10825	0.4
240.71643	0.4
243.08348	3.2
247.13081	1.7
261.22235	1.0
267.15997	1.4
283.15280	0.8
301.08881	0.9
301.16241	0.6
303.15659	0.8
313.27448	0.7
315.10544	0.8
335.25784	1.9
336.26270	1.1
345.09708	1.0
373.11139	1.0
465.20914	11.0
466.21106	0.7
527.37305	0.5
535.28662	6.7
537.23004	1.9
544.37311	1.2
545.38104	0.6
562.38196	1.4
565.26349	0.6
700.45807	0.6
759.42755	100.0
760.43127	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	759.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.1
57.03426	1.5
59.04952	0.2
61.02915	2.0
65.03894	0.1
67.05423	0.1
68.99750	0.3
69.03416	4.8
69.37432	0.1
69.56400	0.1
69.56808	0.6
70.06542	0.1
70.62211	0.1
71.01338	0.1
71.04900	0.1
73.02903	0.7
75.04436	0.2
81.03380	0.3
81.80783	0.1
85.02890	4.5
87.04456	2.6
91.03937	1.0
93.03362	0.2
95.04932	0.1
97.02876	4.3
98.20731	0.2
98.36929	0.1
99.04391	0.2
101.02345	0.2
109.02852	0.4
111.00751	0.7
111.95170	0.1
112.86500	0.1
115.03130	0.1
115.03912	2.6
121.02851	0.9
123.04442	0.1
127.03889	0.8
133.04947	2.9
135.04411	0.1
137.02318	2.8
139.03873	0.2
145.04890	0.4
145.06361	0.1
149.02348	0.4
153.01787	2.4
161.05882	0.2
163.03923	0.5
163.05853	0.1
164.46558	0.1
165.01805	1.9
166.02518	0.2
171.02882	0.1
173.05968	0.2
177.01817	0.1
177.05484	0.1
179.03282	0.1
183.02843	0.6
183.04311	0.2
187.03978	0.2
191.03351	0.2
195.02788	0.3
197.09460	0.1
201.05417	1.0
205.04863	0.2
207.02904	0.1
215.03348	0.1
219.02797	0.2
219.06520	0.2
228.04161	0.2
229.04926	3.4
239.03598	0.1
246.05226	0.1
247.05952	0.7
257.04395	2.6
274.04724	0.7
275.05603	0.2
285.03931	1.2
286.04385	0.1
299.05319	0.1
303.04929	100.0
304.05225	2.4
315.04956	0.9
316.05768	0.1
327.04956	0.4
341.06586	0.2
345.05981	1.8
346.06439	0.1
353.06766	0.1
369.06079	0.3
381.05798	0.1
399.07047	0.2
417.08212	0.1
435.09137	1.2
447.09033	0.2
465.10217	17.0
466.10529	0.6
471.31116	0.1
597.14038	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	759.1964
Annotation	Quercetin 3-sambubioside-3'-glucoside
Peak:m/z	Relative Intensity
53.03906	0.2
55.01848	0.1
57.03426	1.4
59.04970	0.3
61.02918	2.3
62.08788	0.1
64.06332	0.1
68.99757	0.5
69.03417	4.1
70.06556	0.1
70.90849	0.2
70.91197	0.2
73.02905	0.7
75.04432	0.3
81.03371	0.5
85.02892	4.6
87.03962	0.1
87.04450	2.2
91.03932	0.9
93.03363	0.4
95.04879	0.1
97.02879	3.8
99.04404	0.1
109.02817	0.4
111.00780	0.5
115.03919	2.6
121.02855	0.9
123.04355	0.2
127.03880	0.6
133.03951	0.1
133.04941	2.6
135.04413	0.2
137.01288	0.2
137.02313	3.5
137.03314	0.1
143.53581	0.1
145.04910	0.6
147.04340	0.2
149.02298	0.4
151.03894	0.1
153.01787	2.6
161.05899	0.5
163.03873	0.5
163.05917	0.1
165.01830	1.7
166.02528	0.3
173.05899	0.3
177.05418	0.2
183.02843	0.6
183.04300	0.2
184.95731	0.1
187.03906	0.1
191.03314	0.2
195.02824	0.3
201.05414	1.2
205.04984	0.1
213.05392	0.4
214.05817	0.2
215.03476	0.1
215.66277	0.1
215.97000	0.1
219.02925	0.2
219.06540	0.3
229.04947	3.5
229.07204	0.2
241.04881	0.3
242.05302	0.1
247.03473	0.1
247.05968	0.9
257.04407	2.5
269.04300	0.3
270.04718	0.2
274.04745	0.5
275.05450	0.2
282.59677	0.1
285.03867	1.0
286.04803	0.2
287.05069	0.1
301.07019	2.5
302.04160	0.2
302.07312	1.6
303.04932	100.0
304.05304	2.4
315.04828	0.9
327.04764	0.2
345.05975	1.7
369.05930	0.5
399.06876	0.3
435.09119	1.1
447.08667	0.2
465.10208	18.5
466.10437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.3
57.03212	0.2
57.03426	2.5
59.04996	0.4
61.02918	1.7
65.03947	0.2
68.99776	0.7
69.03416	8.8
70.06567	0.3
70.39338	0.4
70.39726	0.5
71.04990	0.3
71.47493	0.2
73.02894	0.8
75.04473	0.4
76.23572	0.2
80.80222	0.2
81.03394	0.9
84.08119	0.3
85.02890	8.4
87.04454	4.5
91.03927	1.4
93.03399	0.3
95.04951	0.4
97.02875	8.8
99.04417	0.5
99.10271	0.2
107.04924	0.3
109.02827	0.9
111.00772	0.9
115.03912	7.2
117.03325	0.2
121.02850	1.1
123.04402	0.5
127.03887	1.6
129.72249	0.2
133.04944	7.1
135.04425	0.3
137.02313	3.5
139.03850	0.4
145.02843	0.6
145.04930	1.5
145.06033	0.3
147.04391	0.6
149.02315	0.5
151.03889	0.3
153.01796	3.3
161.05960	0.4
163.03862	0.7
163.05980	0.9
165.01855	1.3
167.03302	0.4
167.06927	0.2
169.04837	0.2
173.05949	0.5
177.05424	1.1
179.03345	0.4
183.02834	0.7
183.04376	0.5
187.03853	0.4
187.05876	0.2
189.05519	0.2
191.03391	0.3
191.14375	0.2
195.02954	0.3
201.05397	1.7
205.04875	0.4
219.06529	0.4
228.04138	0.4
229.04916	4.0
247.05997	0.5
250.23373	0.2
257.04376	2.5
259.08133	0.5
274.04654	1.2
277.09244	0.4
285.03937	0.9
287.05469	0.5
302.04141	0.3
302.07324	0.3
303.04938	100.0
304.05261	3.4
315.04987	1.2
327.04813	0.3
331.07913	0.4
345.05923	2.1
361.25543	0.2
369.06046	0.8
385.34738	0.2
399.06693	0.3
435.09186	1.1
447.09085	0.4
451.10138	0.4
465.10309	1.6
491.09552	0.6
583.14697	0.2
674.28546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54874	0.3
55.05475	0.3
57.03434	2.9
57.67571	0.3
59.04976	0.4
61.02899	0.9
68.99781	0.4
69.03423	5.0
69.54697	2.0
69.55109	0.6
71.01340	0.3
71.04984	9.5
73.02887	0.8
73.28182	0.3
75.04465	0.6
81.03402	1.0
83.04960	1.9
83.95494	0.3
85.02892	16.6
87.04456	2.4
91.03914	0.9
91.05460	0.4
92.17924	0.3
95.04932	0.5
97.02879	6.8
97.06509	0.3
99.04431	0.9
100.04845	0.3
105.06993	0.3
109.02858	0.8
109.06555	0.3
111.04397	1.6
113.02311	0.3
114.39353	0.3
115.03902	5.0
117.05447	0.6
121.02805	0.5
123.04401	0.8
127.03905	1.7
129.05460	3.6
133.04941	3.1
135.04381	0.3
137.02324	3.8
137.05922	0.3
139.03865	0.5
145.04915	0.8
147.04395	0.5
147.06456	1.6
149.05881	0.3
153.01799	1.1
169.01274	2.7
171.04315	0.6
171.06468	0.7
181.01321	0.9
185.00801	0.3
189.05554	0.3
189.07538	0.4
193.01341	0.3
199.03938	0.9
203.03215	0.5
207.06474	0.7
217.04961	0.8
225.07538	0.8
227.03262	0.3
243.08635	0.9
245.04384	2.4
257.04181	0.3
261.09723	1.5
273.03891	2.2
279.10474	0.5
287.05435	1.0
290.04282	0.5
301.03342	1.6
301.06601	0.5
303.04861	4.3
304.05322	0.4
305.05588	0.4
317.02689	0.3
319.04431	100.0
320.04752	2.9
331.04205	0.4
343.04330	0.4
361.05585	0.8
385.05502	0.7
447.09238	0.5
451.09399	0.9
465.10458	1.6
481.09717	1.5
497.48459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.3
57.03212	0.2
57.03426	2.5
59.04996	0.4
61.02918	1.7
65.03947	0.2
68.99776	0.7
69.03416	8.8
70.06567	0.3
70.39338	0.4
70.39726	0.5
71.04990	0.3
71.47493	0.2
73.02894	0.8
75.04473	0.4
76.23572	0.2
80.80222	0.2
81.03394	0.9
84.08119	0.3
85.02890	8.4
87.04454	4.5
91.03927	1.4
93.03399	0.3
95.04951	0.4
97.02875	8.8
99.04417	0.5
99.10271	0.2
107.04924	0.3
109.02827	0.9
111.00772	0.9
115.03912	7.2
117.03325	0.2
121.02850	1.1
123.04402	0.5
127.03887	1.6
129.72249	0.2
133.04944	7.1
135.04425	0.3
137.02313	3.5
139.03850	0.4
145.02843	0.6
145.04930	1.5
145.06033	0.3
147.04391	0.6
149.02315	0.5
151.03889	0.3
153.01796	3.3
161.05960	0.4
163.03862	0.7
163.05980	0.9
165.01855	1.3
167.03302	0.4
167.06927	0.2
169.04837	0.2
173.05949	0.5
177.05424	1.1
179.03345	0.4
183.02834	0.7
183.04376	0.5
187.03853	0.4
187.05876	0.2
189.05519	0.2
191.03391	0.3
191.14375	0.2
195.02954	0.3
201.05397	1.7
205.04875	0.4
219.06529	0.4
228.04138	0.4
229.04916	4.0
247.05997	0.5
250.23373	0.2
257.04376	2.5
259.08133	0.5
274.04654	1.2
277.09244	0.4
285.03937	0.9
287.05469	0.5
302.04141	0.3
302.07324	0.3
303.04938	100.0
304.05261	3.4
315.04987	1.2
327.04813	0.3
331.07913	0.4
345.05923	2.1
361.25543	0.2
369.06046	0.8
385.34738	0.2
399.06693	0.3
435.09186	1.1
447.09085	0.4
451.10138	0.4
465.10309	1.6
491.09552	0.6
583.14697	0.2
674.28546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.5
53.03935	1.6
55.01859	1.2
55.05504	15.0
57.03426	6.0
57.07064	2.9
59.04989	1.4
61.02919	3.1
65.03928	2.7
67.05496	62.5
69.03420	1.9
69.07060	12.9
70.00223	0.5
71.04983	22.0
71.09972	0.7
71.10293	0.8
74.17401	0.6
79.05481	32.8
80.05808	0.6
81.03414	1.3
81.07046	95.2
82.07382	1.3
83.04977	3.8
83.08608	8.0
85.02902	2.4
85.06534	8.2
91.03948	1.0
91.05467	28.3
93.07033	36.6
94.07339	0.6
95.04950	4.5
95.08593	26.8
97.02898	2.0
97.06500	5.1
97.10144	3.2
99.08089	1.2
105.04491	0.7
105.07015	17.6
105.07731	0.9
107.08578	22.6
109.06516	1.7
109.10139	13.0
111.08061	2.3
113.09727	0.5
117.07012	4.6
119.08567	9.0
121.06490	0.6
121.10123	15.1
123.08088	0.8
123.11690	12.8
123.12547	1.0
125.09560	0.8
131.08554	8.6
133.10115	18.9
135.11676	10.1
145.10101	5.2
147.11662	4.8
149.13226	6.5
151.11183	6.3
153.12762	1.1
157.10086	0.9
159.11662	7.1
161.13251	2.7
163.14812	0.7
169.12256	1.0
171.11732	0.7
173.13206	3.1
175.14825	0.9
177.12759	2.4
179.14316	0.8
183.13748	3.7
187.13309	4.1
187.14775	1.0
195.13799	2.2
201.14803	1.1
213.16447	0.8
225.14862	0.9
227.16429	2.4
243.15892	0.7
253.18016	1.3
257.17368	3.1
259.20633	1.3
261.21982	3.1
269.17477	6.8
285.22519	0.7
301.20044	23.4
302.20480	1.0
335.25742	24.9
336.26074	1.5
349.27502	0.6
391.28497	0.6
393.31375	1.1
411.32538	1.8
419.32513	0.7
429.33588	0.8
437.34128	1.6
455.34949	0.7
485.36246	3.7
503.37234	100.0
504.37524	8.1
517.38812	5.4
529.38818	16.5
530.39319	1.6
561.41425	84.0
562.41803	8.5
613.13831	0.6
758.43878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01869	11.9
55.05246	1.4
55.05505	23.3
57.03204	1.7
57.03430	20.1
57.07061	4.2
59.04984	2.0
61.02926	6.5
65.03921	3.6
67.05495	82.0
68.05814	1.5
69.03407	4.8
69.07055	20.9
70.18422	4.8
71.01337	5.2
71.04972	5.9
71.08635	1.4
73.02937	1.9
74.51508	1.2
79.05484	66.5
81.03403	20.0
81.07045	75.6
83.01335	2.2
83.04967	16.3
83.08604	13.9
85.02898	10.3
85.06526	2.7
86.09699	1.3
91.03951	2.1
91.05461	38.7
93.07030	75.4
95.04960	14.4
95.08591	53.1
97.02869	11.3
97.06512	9.2
97.10142	5.7
98.20723	1.3
99.04426	2.5
102.43793	1.3
103.05426	2.2
105.07010	23.0
107.04952	15.0
107.08580	36.2
109.06487	5.2
109.10146	25.7
111.04418	10.1
111.08067	4.5
111.11689	2.3
117.07011	13.5
119.08569	26.5
121.06475	3.8
121.10129	34.6
123.04382	1.8
123.08035	7.3
123.11666	6.1
125.09595	3.1
129.06985	4.2
131.08557	18.7
133.10107	9.2
135.08029	3.2
135.11671	29.5
137.09550	3.8
139.07568	1.8
139.11139	2.9
143.08578	2.7
145.06430	3.1
145.10109	24.2
147.08022	4.0
147.11693	8.0
149.09554	4.4
149.13271	5.0
153.12709	11.0
155.08557	3.3
159.11667	5.2
161.09531	1.3
161.13206	3.3
163.11162	29.3
163.14795	1.8
173.09618	5.1
173.13206	4.2
175.14864	1.9
181.12206	10.3
183.11688	1.5
184.07344	3.6
185.11633	1.9
185.49657	1.3
185.58571	1.2
187.14806	2.7
189.11200	1.9
191.10669	10.4
209.11694	27.3
223.94234	1.6
227.12787	19.3
243.21033	4.5
245.13795	9.6
261.22144	16.5
265.14322	3.3
267.15756	1.7
283.15366	29.7
284.15396	1.5
299.23630	2.2
301.16409	65.3
302.16711	1.7
313.27356	1.8
315.04919	1.4
317.24677	3.0
335.25745	100.0
336.26117	2.5
433.31046	3.1
451.31784	3.8
469.32883	2.3
485.96478	1.4
487.33774	1.7
525.35645	9.3
543.36725	47.2
544.37109	2.3
561.37787	81.5
562.38306	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01852	4.6
55.05507	29.4
57.03192	1.8
57.03431	19.0
57.07061	3.8
60.07165	1.4
61.02911	3.4
65.03921	4.0
67.05497	78.2
69.03402	5.5
69.06697	2.0
69.07061	36.1
70.95595	4.1
71.04964	6.9
73.02896	2.7
79.05025	2.6
79.05483	63.3
81.03410	27.5
81.07044	100.0
83.04967	13.4
83.08605	26.8
85.02894	9.4
85.06504	4.6
86.45192	1.6
87.04424	1.6
91.03938	1.8
91.05464	51.9
93.07031	77.9
94.07356	1.9
95.04511	1.3
95.04967	16.5
95.08594	37.4
97.02869	5.1
97.06525	20.0
97.10155	11.6
99.08056	5.1
105.07012	45.3
107.04932	9.9
107.08582	45.1
109.06493	6.4
109.10133	14.2
111.04436	2.9
111.08076	10.5
113.05970	2.4
117.06989	24.2
119.08568	26.9
121.06454	5.0
121.10135	24.8
123.08064	2.0
123.11677	4.5
124.99964	2.1
125.09621	7.2
127.03863	3.0
129.06956	8.6
130.07736	2.2
131.08562	21.0
131.51173	1.4
133.06477	2.2
133.10123	23.7
135.08017	3.9
135.11685	15.3
137.09612	3.3
139.11163	2.3
141.06938	3.4
142.07805	2.4
143.08540	5.9
145.10110	14.2
147.07996	2.5
147.11665	17.7
149.09575	13.0
149.13242	27.7
151.11095	2.5
157.10022	7.3
159.11661	20.8
161.09595	2.7
161.13220	9.4
163.11160	6.7
167.07037	1.9
171.11681	4.2
173.13187	6.3
175.11168	6.1
175.14926	2.2
177.12704	7.0
179.14305	2.4
183.11575	3.1
184.07307	4.1
185.13124	2.3
187.14830	2.0
187.82327	1.7
189.11191	4.7
193.12209	13.4
195.13779	13.8
197.13268	2.2
211.13240	25.6
217.15736	1.7
227.12759	13.8
239.18050	2.5
241.19472	7.2
253.17953	1.8
255.15866	6.0
257.18951	11.1
259.20554	17.5
262.18030	4.8
267.15811	3.5
269.17447	77.8
270.17877	1.8
275.20047	30.1
276.20288	2.6
283.15201	2.1
285.16943	21.5
293.21121	2.5
315.23431	1.8
331.22388	2.1
333.24152	20.0
335.24948	1.8
349.23703	21.3
365.22610	1.6
408.51483	1.7
423.26889	1.9
427.48212	1.7
439.26703	5.2
447.31155	2.9
449.28857	16.4
451.32114	3.3
463.30511	61.1
464.30740	3.8
503.33353	3.6
523.35400	1.9
525.35388	5.8
543.36707	68.9
544.36841	5.1
561.37909	8.0
607.35040	1.6
622.29401	1.5
745.71808	1.6
758.32300	2.2
758.48022	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	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
55.01857	9.8
55.05270	3.3
55.05507	37.3
55.29006	3.5
56.05035	3.5
57.03436	20.2
57.07050	3.8
58.02950	2.4
59.50900	2.8
61.02905	6.8
65.03918	4.9
67.05145	4.5
67.05495	81.3
69.03404	7.7
69.07060	33.2
69.39355	32.7
71.04980	9.5
72.04494	9.0
74.06071	3.1
79.05016	5.1
79.05483	86.3
81.03407	65.3
81.07050	86.1
82.07349	3.7
83.04959	15.8
83.08611	32.0
84.08073	2.7
85.02901	27.6
86.09686	9.1
91.03954	4.2
91.05463	100.0
93.07034	85.9
93.77125	2.4
95.04956	33.6
95.08596	46.9
97.02867	13.2
97.06511	14.2
97.10157	15.5
98.20594	4.1
99.04443	2.9
99.08056	3.6
102.05495	3.3
103.05422	3.1
105.07015	90.7
107.04918	14.4
107.08578	49.9
109.06503	14.1
109.10131	18.1
110.33205	3.1
111.08060	10.7
113.05979	3.7
115.05463	3.9
117.07013	23.5
119.08570	68.7
121.06510	6.9
121.10136	33.8
123.08000	4.6
123.11687	4.8
125.09602	12.4
128.55817	3.2
129.06987	21.0
131.08549	42.0
133.10120	56.9
135.08099	4.1
135.11694	20.5
137.09616	5.5
141.07001	3.1
142.07741	5.6
143.08466	14.8
144.09190	3.7
145.10074	23.6
147.08057	7.9
147.11678	53.2
149.09583	10.3
149.13232	10.3
155.08517	5.0
157.10103	29.7
159.11655	22.1
161.13234	29.0
163.11142	6.2
165.12692	3.1
165.64529	3.0
169.10204	3.6
171.11641	9.3
173.13275	10.7
175.11174	16.9
175.14781	11.6
184.07324	15.8
184.13342	5.2
185.13245	11.7
187.14778	7.8
189.11205	5.2
193.12206	48.5
195.11624	3.0
197.13202	4.0
199.14856	5.3
202.51807	2.8
211.11227	4.0
211.13275	66.6
213.16231	4.3
227.12680	13.6
229.14384	3.9
231.21004	5.7
241.19472	28.9
257.19009	4.6
259.20526	60.8
267.15802	23.1
269.17349	18.7
275.20020	11.8
285.16922	58.4
297.22076	5.1
315.23254	6.4
331.22580	4.6
333.24237	55.9
335.25629	8.9
336.25934	4.7
349.23697	4.4
433.30933	7.8
439.26749	5.4
451.32098	6.1
525.35748	25.3
543.36755	85.9
544.36707	4.8
561.37927	4.0
596.41034	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	757.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03676	0.3
53.03936	0.9
55.01867	0.8
55.05505	0.5
57.03436	0.3
59.05005	0.3
61.02913	2.1
63.02368	0.4
65.03922	1.9
67.05494	2.5
68.99788	3.2
69.03418	2.8
69.07050	0.8
71.01355	0.5
71.05006	0.4
77.03916	0.9
79.05490	1.8
81.03407	2.9
81.07042	1.7
83.01334	0.3
83.04976	0.8
85.02888	1.3
85.06544	0.6
85.48302	0.4
87.00813	1.2
89.03892	2.6
91.05463	29.4
93.07030	1.2
95.04945	1.9
95.08601	1.3
97.02888	1.2
97.06514	0.7
98.21491	0.6
99.04416	0.8
103.05461	1.6
105.03369	1.6
105.07006	1.6
107.04938	1.0
107.08577	0.7
108.05726	0.4
109.02864	4.7
109.06513	1.3
109.10163	1.5
110.10482	0.3
111.04436	0.4
111.08095	0.4
115.05437	1.3
117.03358	5.0
117.06985	1.6
119.04924	44.6
119.08541	0.8
120.05296	0.5
121.06489	0.5
121.10120	1.0
123.04421	4.5
123.11694	0.4
124.05164	0.3
125.09598	0.5
127.03912	2.0
128.06158	0.4
129.01823	3.5
129.03355	0.7
129.07008	1.0
130.04117	0.3
131.04916	1.4
131.08572	0.9
131.11063	0.3
132.02074	1.5
133.02873	0.7
133.06499	1.5
133.10088	1.1
134.03632	0.4
135.04395	1.4
135.11693	0.7
137.02304	0.4
137.05943	1.9
141.06982	1.2
143.04877	0.4
144.05667	0.5
145.02827	13.8
145.06453	2.2
145.10115	0.3
146.03503	0.3
147.04384	40.3
147.11719	0.4
148.04782	0.6
149.02325	1.5
149.05949	3.5
151.03874	1.0
151.07509	0.5
151.11191	0.4
153.05449	2.6
153.06720	0.5
153.09094	0.4
154.06219	0.9
155.06969	0.7
155.08434	0.4
156.05727	0.4
157.03952	3.8
157.06468	1.5
159.04366	0.8
159.08002	0.9
160.05130	0.5
161.05949	3.2
162.03087	0.7
163.03874	0.6
164.04709	1.0
165.09105	0.5
167.07030	13.9
169.06476	1.1
173.05972	1.2
174.06674	0.5
175.03877	69.3
175.07436	1.3
176.04431	1.3
177.05444	21.1
178.06091	0.5
179.03377	1.5
179.06992	5.2
181.04938	0.8
181.06401	0.6
181.08635	2.3
184.05171	0.4
185.05942	1.3
187.07475	1.7
188.04620	0.4
189.05476	2.1
191.06979	1.5
193.04900	0.3
193.08551	1.8
197.05980	0.5
199.03828	0.4
199.07451	0.7
200.04675	0.5
201.05437	1.4
203.06927	1.5
205.08650	0.6
207.06493	100.0
208.06822	1.6
211.07632	0.4
212.04692	1.1
213.03775	0.5
213.05544	0.8
214.06206	0.4
215.03386	0.3
215.06958	2.5
217.04866	1.7
217.08665	0.9
219.06532	4.2
219.17397	0.4
221.08064	1.7
226.06158	0.4
227.07053	0.7
229.04982	0.5
230.05647	0.7
231.06494	2.8
233.07947	0.8
235.05946	0.7
235.09607	0.4
241.04890	0.8
243.06659	0.4
245.08063	4.7
247.05928	1.2
247.09642	0.8
249.07533	4.5
250.08592	0.4
255.06392	0.6
256.07324	0.8
257.08191	0.8
259.05844	0.7
259.09705	0.7
261.07568	4.4
263.09106	5.9
271.09564	0.4
273.07520	2.1
275.08948	0.6
285.07535	0.8
287.09174	2.4
291.08591	29.3
292.08997	0.6
293.09970	0.3
297.07599	0.7
303.04929	0.9
303.08575	1.2
303.12222	3.1
315.05270	0.4
315.08560	9.1
315.12115	0.6
327.12167	0.7
331.25949	0.4
333.09598	4.9
333.13144	0.7
345.09628	0.6
345.13480	0.4
351.10693	0.6
397.12418	0.4
401.08447	0.5
419.09854	0.7
425.10754	2.6
437.10709	5.6
445.27402	0.4
455.11786	19.7
456.11893	0.5
473.35992	0.7
491.37018	0.5
533.17535	0.7
551.18530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.05490	0.5
57.03434	2.5
59.04974	0.5
61.02917	1.1
65.03933	0.2
69.03423	5.3
71.04987	11.0
73.02895	0.9
75.04459	0.9
76.78195	0.2
81.03395	0.8
83.04977	2.0
85.02896	16.0
87.04469	2.7
91.03941	0.8
92.02597	0.6
93.03398	0.7
95.04932	0.5
97.02885	6.6
97.06480	0.2
98.21468	0.5
99.04448	1.2
102.13774	0.3
109.02866	0.3
111.04435	1.5
115.03920	5.4
117.05471	0.3
119.04913	0.7
121.02857	0.8
123.04433	0.5
125.02322	0.3
125.06053	0.2
126.03183	0.3
127.03897	2.3
129.05464	4.0
131.04953	0.2
133.04945	3.1
137.02325	0.5
137.05928	0.5
139.03889	1.3
145.02809	0.2
145.04961	0.9
145.06480	0.2
147.03311	0.3
147.04419	3.1
147.06483	2.0
149.04463	0.3
151.03874	1.0
153.01808	5.1
153.05411	0.3
163.03932	0.4
163.24310	0.2
165.01785	0.5
165.05487	0.6
171.06493	0.8
177.05440	0.6
183.02820	0.3
199.05994	0.2
201.05489	0.7
203.03232	0.3
207.06464	0.6
217.04845	0.5
218.05794	0.3
225.07553	0.9
228.04210	1.0
229.04922	2.3
231.02803	0.3
243.08696	1.1
245.04445	0.9
246.05200	1.1
255.08611	0.3
257.04419	2.4
261.07349	0.3
261.09741	1.4
271.05902	0.4
273.03897	1.3
274.04678	3.0
284.03195	0.6
285.03934	3.4
285.06995	0.4
287.05518	0.6
295.10211	0.3
302.04181	9.8
303.04929	4.7
315.04990	0.5
317.06528	100.0
318.06827	3.0
329.06558	0.9
359.07532	1.5
383.07642	0.8
413.08591	0.3
421.05170	0.3
449.10986	0.4
461.10651	0.3
479.11728	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	757.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.04891	0.3
54.71996	0.3
55.01859	0.8
55.05509	0.4
59.67133	0.3
61.02917	2.2
65.03926	2.1
65.34231	0.3
67.05492	1.3
68.99773	2.2
69.03414	2.3
69.07092	0.4
70.06593	0.9
70.87938	0.7
70.88309	0.5
71.01340	0.8
71.05002	0.3
76.03139	0.6
77.03919	1.0
79.05489	1.7
81.03397	2.5
81.07049	0.8
84.08136	0.4
85.02892	1.3
86.71090	0.3
87.00806	0.8
89.03900	1.8
91.05466	27.2
92.05802	0.4
93.03422	0.4
93.07021	0.9
95.04948	1.6
95.08608	0.5
97.02876	2.0
97.06503	0.7
102.04694	0.3
103.05463	1.3
105.03372	1.2
105.07020	1.5
107.04968	1.3
107.08562	0.4
109.02864	5.5
109.06496	1.7
109.10181	0.5
111.04382	0.4
111.32762	0.3
115.05438	1.2
117.03358	1.8
117.06998	1.2
118.04167	0.5
119.04923	42.7
120.05239	0.5
121.02829	0.5
121.06517	0.7
121.10178	0.4
122.03651	0.4
123.04413	5.1
123.08054	0.3
127.03889	1.8
128.06190	0.6
129.01814	2.8
129.03354	0.7
129.06972	0.9
131.04893	1.6
131.08546	0.4
132.02066	1.3
133.02856	0.8
133.06477	1.3
134.03587	0.3
135.04425	1.0
135.08101	0.4
136.05154	0.7
137.05914	1.5
141.06955	1.0
144.05699	0.6
145.02827	5.4
145.06400	1.5
147.04385	39.9
148.04776	0.6
149.02328	1.1
149.05974	2.2
151.03897	1.1
151.07513	0.5
151.66377	0.3
153.05403	0.5
153.06894	0.4
155.07047	0.8
157.03944	3.8
157.06462	1.4
159.07994	0.6
159.11774	0.4
161.05980	3.2
161.09525	0.4
162.02986	0.4
163.03876	0.6
164.04649	1.1
165.05455	0.3
165.07016	0.5
165.09175	0.5
167.07018	18.9
169.06493	1.1
171.04442	0.3
172.05249	0.4
173.05925	1.2
174.06789	0.5
175.03877	71.0
176.04309	1.3
177.05452	8.2
179.03392	1.7
179.06985	4.6
181.04895	0.4
181.06581	0.4
181.08543	2.0
183.08041	0.4
184.05223	0.7
185.05995	1.4
187.07455	1.8
187.11147	0.4
188.04639	0.3
189.05458	2.3
191.06958	1.5
192.04170	0.9
193.04872	0.5
193.08572	1.7
195.74606	0.3
196.05177	0.3
197.05902	0.4
199.03854	0.4
199.07501	0.9
200.04707	0.5
201.05370	0.7
202.06152	0.4
203.07030	1.0
205.08664	0.6
206.05766	0.4
207.06494	100.0
208.06767	1.5
209.08078	5.0
211.07530	0.5
212.04623	0.8
213.03780	0.6
213.05547	1.1
214.06247	0.4
215.03297	0.6
215.06937	1.5
217.05026	1.7
217.08582	1.3
219.06516	3.8
221.08012	1.8
227.06973	0.6
229.05031	0.5
230.05699	1.0
231.06479	3.3
232.07269	0.7
233.07990	0.7
235.09570	0.4
239.06728	0.3
241.04939	0.8
243.06592	0.4
245.08043	4.9
247.06044	1.2
247.09537	0.9
249.07533	3.7
255.06538	1.1
256.07318	0.6
257.04337	0.4
257.07968	0.6
258.05078	0.5
259.05981	0.8
259.09729	0.5
261.07507	3.2
263.09091	7.0
269.08090	0.5
271.09610	0.3
272.06741	0.7
273.07541	2.6
275.09091	0.7
283.06000	0.4
285.07550	0.6
287.05966	0.6
287.09033	2.5
289.10651	0.5
291.08588	29.1
292.08957	0.8
297.07602	0.6
303.04984	0.9
303.08832	0.6
303.12134	3.4
315.04959	1.2
315.08588	9.9
315.12192	1.0
330.07196	0.7
333.09607	4.6
345.09750	3.7
351.10675	0.6
419.09445	0.7
425.10852	0.7
437.10727	5.2
455.11819	12.9
472.50735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1961
Annotation	Quercetin 3-(2G-(E)-p-coumaroylrutinoside)
Peak:m/z	Relative Intensity
53.03928	0.2
55.05495	0.2
56.90141	0.2
57.03432	1.5
60.14587	0.2
61.02918	0.2
65.03928	0.8
68.99798	0.3
69.03410	0.6
71.01366	0.2
71.04981	10.9
71.11806	0.2
71.12141	0.5
73.02919	0.3
75.04464	0.3
81.03400	1.3
83.04971	1.2
85.02890	17.6
87.04443	0.3
89.74979	0.2
91.05468	4.8
93.03398	0.4
97.02871	2.6
99.04424	0.2
109.02852	1.7
111.00772	0.9
111.04425	0.7
117.03385	0.4
119.04925	12.9
121.02837	1.0
123.04442	0.3
127.03906	2.5
129.05473	2.5
133.39742	0.2
135.04375	0.5
137.02309	3.2
145.02837	1.1
145.04941	0.6
147.04382	57.0
148.04721	0.9
149.02351	0.5
151.03989	0.2
153.01787	3.5
161.06013	0.4
163.03886	2.4
165.01794	1.9
165.05457	2.5
167.03416	0.4
173.05919	0.4
177.05458	1.6
183.02826	0.8
183.04355	0.4
187.03926	0.4
191.06964	0.2
195.02840	0.2
201.05434	1.6
205.04994	0.3
213.05434	0.3
219.06476	0.3
229.04944	3.6
231.06482	0.3
247.05981	0.5
257.04385	2.9
274.04633	0.6
285.03830	1.5
287.05453	10.8
288.05811	0.5
291.08624	0.9
303.04938	100.0
304.05273	2.8
309.09644	1.7
315.05005	0.6
455.15179	0.5
611.13568	0.6
621.64050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1962
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03417	0.8
63.02348	0.3
65.03925	0.3
67.05502	0.3
68.38623	0.2
69.03426	2.5
69.93562	0.2
70.06555	0.3
71.04969	0.2
71.13076	0.4
71.13411	0.3
79.05493	0.3
81.03408	0.7
81.07037	0.3
85.02889	2.1
87.04469	1.1
89.03895	3.6
91.05477	0.4
93.03391	0.2
93.07034	0.4
95.04954	0.6
97.02887	2.1
107.08578	0.2
109.02878	0.3
111.04405	0.3
115.03918	0.9
117.03369	11.8
118.03727	0.2
119.04913	0.5
121.02864	2.4
123.04439	0.3
124.26849	0.2
127.03899	0.3
133.04893	0.3
134.03642	1.0
135.04408	1.0
137.02325	5.2
137.05930	0.3
144.71704	0.2
145.02826	33.2
146.03172	0.8
147.04347	1.5
149.02318	2.3
149.05948	4.2
150.03041	0.2
153.01793	0.3
157.06430	0.8
163.03888	1.2
167.03386	1.2
175.07478	0.2
177.05446	70.0
178.05789	2.2
185.05952	1.5
186.05501	0.8
189.05534	0.5
189.09163	0.2
191.06970	0.2
203.07077	0.4
213.05441	3.5
215.07185	0.2
217.08582	0.2
231.06474	1.0
241.04897	2.9
245.08226	0.4
258.05222	0.6
259.05963	0.5
261.07666	0.4
269.04404	0.9
287.05463	100.0
288.02823	0.3
288.05801	3.1
291.08621	0.6
303.05014	1.2
309.09769	0.3
315.04987	0.4
317.06601	0.3
321.09598	0.4
323.56485	0.2
331.07849	0.4
339.10706	7.0
340.10971	0.4
345.09647	1.0
419.09674	0.5
438.42276	0.3
471.14713	0.4
497.89520	0.2
595.10284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75111	0.3
53.03911	1.1
55.01828	1.0
57.03392	1.2
61.02899	0.8
63.02364	0.4
65.03917	0.7
65.87929	0.3
66.14518	0.3
68.99762	0.8
69.03423	7.9
71.01361	0.3
71.04956	1.1
71.63535	0.4
71.63937	0.6
72.32256	0.3
73.02877	0.9
75.79012	0.3
76.90427	0.4
78.04684	0.5
79.05479	0.6
81.03405	4.5
81.07050	0.4
81.84197	0.3
83.04943	0.3
85.02893	8.8
87.00821	1.5
87.04432	0.8
89.03901	2.7
91.05470	2.1
93.07021	0.8
95.04926	0.6
97.02883	4.9
99.04446	1.9
101.02327	0.4
102.04605	0.5
103.03903	0.7
103.05438	2.1
105.01829	0.8
105.03349	0.5
105.07009	2.2
107.04901	0.8
109.02289	0.3
109.02864	3.6
115.03878	0.7
115.05409	0.6
117.02568	0.4
117.03353	7.4
117.06984	0.4
118.04102	1.2
119.04895	1.2
121.02818	0.9
121.06474	2.1
123.00754	1.1
123.04332	0.5
125.05930	0.5
127.03887	6.3
127.05354	0.5
128.06187	0.5
129.01796	0.4
130.04074	1.1
131.04921	3.1
132.05637	1.2
133.06458	2.3
134.03592	2.8
135.04364	0.8
137.02275	0.7
137.05920	1.1
145.02826	17.6
145.04840	1.0
145.06465	0.8
146.03442	0.5
146.70018	0.3
147.04373	3.7
148.05095	0.9
149.05957	4.3
151.03864	0.7
151.07491	0.8
152.01007	1.5
153.01834	1.6
154.06206	0.7
155.04903	5.5
157.06378	0.6
159.02856	1.0
159.04317	0.3
160.05141	0.7
161.02367	0.4
161.05948	3.3
163.03882	0.5
163.07474	0.7
165.05382	0.4
167.03427	0.7
167.04863	0.6
167.07034	4.7
170.02002	0.7
171.04221	0.8
172.05215	0.9
173.05923	0.4
175.03879	0.8
176.04675	2.4
177.05444	31.7
178.05925	0.8
179.06961	0.5
181.08638	0.8
182.09314	1.5
183.04366	4.7
184.05136	0.7
185.05977	0.6
187.05945	0.9
187.07521	1.7
189.05415	0.5
191.07004	4.1
192.07761	1.0
193.08578	3.6
197.05923	0.5
200.04678	1.7
201.05473	0.8
209.06180	0.3
209.08080	1.6
210.08833	2.1
211.03882	4.3
212.04681	1.1
213.05466	1.0
215.06978	0.4
225.05428	1.7
227.07088	0.5
228.04118	2.4
229.04836	0.7
239.03360	5.3
240.04167	0.9
241.04977	2.0
243.06471	0.7
245.08090	0.7
253.04984	0.4
255.02707	0.6
255.06473	0.3
256.03629	8.9
256.07190	1.0
257.04285	1.2
267.02859	1.0
268.03546	0.8
269.04404	1.5
271.05969	79.2
272.06421	2.7
284.06647	0.5
285.03888	0.8
285.07550	0.6
286.04660	3.0
287.05466	12.2
288.05743	0.4
297.03922	0.4
297.07391	0.6
299.05453	38.0
300.06174	8.6
301.07028	15.9
301.10519	0.6
302.07532	0.5
303.04776	1.9
311.05396	0.8
317.06485	0.7
329.06601	0.5
339.10840	1.6
341.06497	0.8
345.09692	0.8
355.08182	0.6
368.60718	0.3
403.31311	0.3
450.92465	0.3
459.10925	0.5
463.13788	0.4
479.13309	3.3
491.13333	14.2
509.14383	100.0
510.14752	8.0
551.15295	0.9
577.12885	0.7
595.17725	0.6
671.19781	0.7
757.19141	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	757.1965
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.75111	0.3
53.03911	1.1
55.01828	1.0
57.03392	1.2
61.02899	0.8
63.02364	0.4
65.03917	0.7
65.87929	0.3
66.14518	0.3
68.99762	0.8
69.03423	7.9
71.01361	0.3
71.04956	1.1
71.63535	0.4
71.63937	0.6
72.32256	0.3
73.02877	0.9
75.79012	0.3
76.90427	0.4
78.04684	0.5
79.05479	0.6
81.03405	4.5
81.07050	0.4
81.84197	0.3
83.04943	0.3
85.02893	8.8
87.00821	1.5
87.04432	0.8
89.03901	2.7
91.05470	2.1
93.07021	0.8
95.04926	0.6
97.02883	4.9
99.04446	1.9
101.02327	0.4
102.04605	0.5
103.03903	0.7
103.05438	2.1
105.01829	0.8
105.03349	0.5
105.07009	2.2
107.04901	0.8
109.02289	0.3
109.02864	3.6
115.03878	0.7
115.05409	0.6
117.02568	0.4
117.03353	7.4
117.06984	0.4
118.04102	1.2
119.04895	1.2
121.02818	0.9
121.06474	2.1
123.00754	1.1
123.04332	0.5
125.05930	0.5
127.03887	6.3
127.05354	0.5
128.06187	0.5
129.01796	0.4
130.04074	1.1
131.04921	3.1
132.05637	1.2
133.06458	2.3
134.03592	2.8
135.04364	0.8
137.02275	0.7
137.05920	1.1
145.02826	17.6
145.04840	1.0
145.06465	0.8
146.03442	0.5
146.70018	0.3
147.04373	3.7
148.05095	0.9
149.05957	4.3
151.03864	0.7
151.07491	0.8
152.01007	1.5
153.01834	1.6
154.06206	0.7
155.04903	5.5
157.06378	0.6
159.02856	1.0
159.04317	0.3
160.05141	0.7
161.02367	0.4
161.05948	3.3
163.03882	0.5
163.07474	0.7
165.05382	0.4
167.03427	0.7
167.04863	0.6
167.07034	4.7
170.02002	0.7
171.04221	0.8
172.05215	0.9
173.05923	0.4
175.03879	0.8
176.04675	2.4
177.05444	31.7
178.05925	0.8
179.06961	0.5
181.08638	0.8
182.09314	1.5
183.04366	4.7
184.05136	0.7
185.05977	0.6
187.05945	0.9
187.07521	1.7
189.05415	0.5
191.07004	4.1
192.07761	1.0
193.08578	3.6
197.05923	0.5
200.04678	1.7
201.05473	0.8
209.06180	0.3
209.08080	1.6
210.08833	2.1
211.03882	4.3
212.04681	1.1
213.05466	1.0
215.06978	0.4
225.05428	1.7
227.07088	0.5
228.04118	2.4
229.04836	0.7
239.03360	5.3
240.04167	0.9
241.04977	2.0
243.06471	0.7
245.08090	0.7
253.04984	0.4
255.02707	0.6
255.06473	0.3
256.03629	8.9
256.07190	1.0
257.04285	1.2
267.02859	1.0
268.03546	0.8
269.04404	1.5
271.05969	79.2
272.06421	2.7
284.06647	0.5
285.03888	0.8
285.07550	0.6
286.04660	3.0
287.05466	12.2
288.05743	0.4
297.03922	0.4
297.07391	0.6
299.05453	38.0
300.06174	8.6
301.07028	15.9
301.10519	0.6
302.07532	0.5
303.04776	1.9
311.05396	0.8
317.06485	0.7
329.06601	0.5
339.10840	1.6
341.06497	0.8
345.09692	0.8
355.08182	0.6
368.60718	0.3
403.31311	0.3
450.92465	0.3
459.10925	0.5
463.13788	0.4
479.13309	3.3
491.13333	14.2
509.14383	100.0
510.14752	8.0
551.15295	0.9
577.12885	0.7
595.17725	0.6
671.19781	0.7
757.19141	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	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
53.22717	1.6
55.01850	5.1
55.05503	22.8
57.03432	9.1
57.07053	2.4
59.28271	1.3
65.03923	3.2
66.92030	1.5
67.05141	2.8
67.05490	37.3
69.03408	3.9
69.07058	14.9
70.66043	3.7
71.04968	4.1
73.02888	2.3
77.03996	1.2
79.05478	47.3
81.03406	4.3
81.06557	1.8
81.07041	37.5
83.04948	5.6
83.08600	9.3
85.02884	2.9
85.06512	1.9
91.05469	39.5
92.05788	1.7
93.07030	66.7
94.07372	2.3
95.04964	12.3
95.08591	45.3
97.02859	4.8
97.06515	5.9
97.10137	4.1
99.04443	3.6
99.08056	2.2
105.07017	46.4
106.07378	2.4
107.04958	11.1
107.08569	40.6
109.06496	3.8
109.10138	11.5
110.86551	1.7
111.04485	1.8
111.08041	2.1
117.07003	14.8
119.07738	3.0
119.08558	37.3
121.06469	5.7
121.10122	23.7
123.11663	2.7
125.05977	4.1
129.07036	8.9
130.07814	1.8
130.73148	1.6
131.08540	12.9
132.73253	1.4
133.10110	25.4
135.08020	3.5
135.11668	52.3
143.08534	6.3
145.10097	36.7
146.10428	2.1
147.11655	25.4
149.09604	2.8
149.13235	5.5
157.10098	6.3
159.11659	10.2
161.13239	19.5
163.11160	54.5
164.11424	2.1
171.11661	6.2
173.13283	7.7
175.14787	11.1
181.12212	10.0
185.13229	6.1
187.14777	4.3
195.11739	1.6
199.14868	3.0
200.32506	1.5
211.13246	1.7
227.12744	77.6
228.13051	2.3
231.21085	5.1
241.19461	26.8
243.21088	2.0
259.20538	68.4
260.20880	3.7
267.15906	2.6
275.20038	5.4
277.21500	2.3
283.15366	71.7
284.15530	3.1
285.17056	2.0
285.78253	1.5
315.23035	9.8
323.19626	1.5
333.24182	100.0
334.24548	7.1
338.15335	1.5
376.74506	1.7
541.35205	55.9
542.35370	6.8
559.36285	10.5
560.35864	2.5
619.71216	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	756.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.0
53.03936	2.1
55.01852	3.0
55.05500	18.7
57.03212	1.3
57.03436	10.9
57.07061	2.0
59.04985	2.0
61.02906	3.8
65.03939	1.4
66.11354	1.2
67.05493	48.2
67.49123	1.2
69.03427	2.6
69.07053	10.5
71.04990	2.6
71.60419	2.3
74.49350	1.4
79.05030	1.7
79.05480	29.6
81.03401	5.1
81.07040	42.6
83.04955	3.0
83.08605	12.1
85.02882	4.6
85.06548	2.6
91.05468	28.2
93.06441	2.1
93.07031	43.1
95.04980	7.0
95.08591	30.3
97.02877	5.7
97.06509	5.4
97.10155	2.1
97.34934	1.2
99.00787	13.3
99.04414	1.6
99.08092	1.3
103.05472	1.9
105.07014	18.5
107.04932	4.9
107.08582	20.3
109.02842	5.9
109.06502	2.4
109.10139	15.7
111.04424	1.5
111.08062	4.3
115.03896	2.4
117.06980	5.7
117.21268	1.3
119.08566	16.2
121.06498	6.0
121.10145	12.4
123.08044	2.2
123.11687	6.4
127.03908	2.3
127.07462	1.5
129.06961	1.5
131.08571	7.6
133.06464	2.4
133.10106	30.5
135.08014	1.5
135.11714	10.7
137.04736	1.2
137.05927	2.0
137.09572	1.8
137.13234	2.5
139.07491	2.2
143.08545	4.6
145.06476	1.3
145.10094	5.1
147.11668	4.6
149.09656	2.0
149.13251	5.5
151.11156	7.7
159.11652	4.6
161.09613	17.1
161.13202	3.0
163.14781	2.7
171.08086	2.8
173.13200	2.7
179.10631	8.2
187.14743	2.3
189.09091	6.8
197.11748	3.5
201.16415	1.4
207.10143	3.0
225.11143	11.8
243.12210	3.6
243.21179	5.9
261.22092	20.0
266.15817	1.4
277.21576	1.3
281.13843	4.6
299.14850	88.0
300.15112	4.8
315.23016	3.1
317.24738	4.9
321.90875	1.5
333.24048	2.5
335.25751	100.0
336.26013	4.2
449.30185	1.6
464.78427	1.3
467.31418	3.4
485.32486	3.0
513.35706	2.5
523.34595	1.4
531.36884	1.6
541.35083	7.4
559.36176	44.9
560.36542	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	756.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.5
55.05505	11.4
57.03426	7.3
59.04990	0.6
60.76287	0.6
61.51399	0.6
67.05495	16.3
69.03427	3.1
69.07065	4.8
69.84978	1.9
69.85384	1.7
71.04980	2.9
79.05484	16.9
81.03405	39.6
81.07045	14.4
81.14076	0.6
83.04977	4.6
83.08604	12.6
85.06520	1.4
91.05468	11.8
93.07030	10.8
95.04953	16.9
95.08605	7.2
97.02873	2.3
97.06508	3.5
97.10153	12.1
98.21349	1.1
99.04409	0.6
99.08083	0.7
105.07001	10.2
107.04941	10.4
107.08577	9.6
109.06507	6.2
109.10158	3.8
111.04427	1.2
111.08090	3.6
115.05396	0.9
117.03354	1.0
117.06992	4.4
119.04933	0.7
119.08567	8.7
121.06509	7.9
121.10139	6.2
123.04422	1.5
123.08044	3.0
123.11726	0.9
125.05993	0.8
125.09626	11.2
128.06151	0.8
129.07005	7.2
131.04927	1.3
131.08548	8.2
133.06459	3.9
133.10115	3.1
135.08044	3.1
135.11682	1.6
137.05916	1.0
137.09630	1.2
141.07010	1.2
142.07715	0.9
143.08496	1.9
145.02806	1.8
145.06493	5.1
145.10107	4.4
146.03183	0.6
147.04396	1.2
147.08032	4.1
147.11662	4.5
149.05989	0.8
149.09592	4.4
153.09081	2.3
155.08557	1.3
157.06451	1.0
157.10118	5.3
158.36203	0.6
159.08070	1.0
159.11693	1.7
161.05981	1.0
161.09572	1.5
163.07558	0.7
163.11145	3.5
165.12801	1.1
167.08572	0.7
167.10635	1.4
169.10089	1.7
171.08038	2.0
171.11697	2.2
173.09621	1.7
173.13290	0.9
175.11134	4.7
177.05453	3.1
177.12721	1.5
178.05836	1.1
181.10155	0.6
183.11685	1.3
185.09532	1.0
185.13326	1.2
187.11154	1.5
189.09517	0.6
189.11197	4.4
189.12732	2.0
191.14282	1.8
191.83344	0.6
193.12212	11.7
194.96898	0.6
195.11742	1.3
197.09633	1.0
197.13176	1.4
199.11177	1.7
199.13022	0.7
205.12167	1.7
213.12755	1.5
215.14293	2.1
219.13834	2.7
223.11270	0.9
223.13190	1.5
225.12814	1.0
227.12733	2.8
231.13799	1.0
233.15355	2.9
235.13165	1.1
237.12782	1.5
241.14294	1.3
245.15398	0.8
249.14775	1.3
255.13820	2.2
259.13290	1.0
261.07480	0.9
267.15872	32.9
268.16269	1.3
273.14597	4.1
273.17389	0.9
287.16345	1.0
293.17416	1.3
321.22125	1.0
331.07935	0.8
339.23105	1.8
345.09750	1.2
349.21512	4.3
357.24121	1.9
367.22629	12.6
368.22787	0.8
385.23676	21.9
386.23840	1.0
403.24744	8.5
405.39392	0.6
423.25418	0.7
441.26352	7.1
459.27374	100.0
460.27878	6.8
477.28415	83.2
478.28882	5.4
491.29956	11.3
501.28668	1.5
509.31195	5.1
541.33734	1.1
567.29535	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	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.7
53.03939	4.7
55.01868	4.6
55.05506	26.1
57.03437	11.8
57.07067	3.2
59.04999	2.1
61.02918	4.8
63.91023	1.1
67.05498	58.1
67.19482	1.0
69.03433	2.7
69.07059	13.8
69.92369	1.9
69.92775	4.5
71.01315	1.6
71.04984	2.4
73.02906	2.2
74.47015	1.0
79.05486	39.6
81.03401	6.2
81.07047	53.5
83.04982	4.2
83.08612	15.3
85.02925	5.6
85.06532	2.7
87.04407	1.2
91.03921	2.4
91.05472	40.5
92.04697	1.2
93.06448	2.4
93.07034	47.5
95.04970	6.0
95.08600	37.3
97.02361	1.3
97.02865	6.4
97.06525	3.2
97.10155	3.4
99.00814	19.9
103.05456	1.7
105.07024	29.1
107.04939	7.1
107.08585	24.6
107.09272	2.1
109.02850	10.2
109.06507	4.0
109.10153	19.5
111.08071	5.0
113.86653	1.2
115.03921	2.5
116.06288	1.2
117.07018	6.0
119.08572	20.0
121.06506	7.4
121.10130	14.5
123.08048	2.9
123.11700	7.0
127.03888	4.4
128.06213	2.7
129.07086	2.0
131.08549	8.7
133.10117	41.6
135.08058	2.3
135.11702	10.9
137.05972	1.2
139.07518	2.2
143.08559	4.9
145.10135	7.1
147.08099	1.7
147.11673	5.5
149.13234	5.3
151.11169	11.4
159.11652	5.4
161.09604	19.6
161.13254	4.4
163.11195	2.1
163.14847	3.2
171.08015	3.8
173.13283	5.4
175.14732	1.4
179.10632	9.2
189.09105	8.6
189.10611	1.4
194.66135	1.3
197.11758	3.2
207.10217	2.9
225.11230	13.5
233.22716	1.8
243.12282	2.7
243.21033	6.5
261.22128	19.7
277.21484	1.4
281.13889	4.9
299.14859	87.7
300.15179	2.3
315.23096	2.0
317.24713	3.5
335.25766	100.0
336.26126	5.9
431.06500	1.2
449.30603	1.9
467.31406	3.5
485.32697	3.0
513.35620	2.2
531.36725	2.0
541.35120	9.3
559.36310	46.4
559.45215	2.2
560.36334	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	756.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
54.23046	1.3
55.01847	5.0
55.05491	5.6
57.03416	1.7
65.03915	1.4
67.05491	8.8
69.03409	9.5
69.07059	15.2
69.69472	4.2
69.69896	7.4
71.04962	5.3
79.05477	12.4
81.03412	7.6
81.07057	8.6
81.44959	1.7
83.04966	37.0
84.02614	1.4
84.08141	1.6
85.02873	5.4
85.06525	2.0
87.04441	2.5
91.05474	17.4
93.07031	16.2
95.04948	11.5
95.08585	4.2
97.02879	100.0
97.06513	31.4
99.04444	7.9
101.06029	1.6
103.05423	2.0
105.07014	28.6
107.04927	4.3
107.08578	7.8
109.02861	3.6
109.06525	6.8
109.10156	2.7
111.04421	5.1
113.05964	1.8
115.03860	2.0
115.05394	2.5
117.06992	7.1
119.04920	4.7
119.08549	10.3
121.05701	2.5
121.06493	21.1
121.10117	3.4
123.04408	4.1
123.08005	2.1
125.05975	44.9
127.03870	3.6
128.06215	2.3
129.07002	7.1
131.08553	12.3
133.06450	6.0
133.10097	4.7
135.04330	2.0
135.08006	2.9
137.05965	6.9
139.07500	2.4
141.06963	3.0
142.07709	1.8
143.07013	39.2
143.08528	6.7
145.02821	3.1
145.06471	8.8
145.10103	39.1
145.11221	2.7
146.17307	1.4
147.04352	11.6
147.07991	4.2
147.11668	3.5
149.05952	3.3
149.09669	1.7
151.07509	7.0
153.07007	1.7
155.08531	4.0
157.06528	2.6
157.08885	1.5
157.10133	6.9
158.07228	5.5
159.08029	10.0
159.11662	14.3
161.05989	3.1
161.09538	4.6
163.07491	4.2
163.11172	6.0
165.07030	1.6
167.07011	2.8
169.08704	2.1
169.10118	4.5
171.08032	2.9
171.11629	1.7
172.08789	2.7
173.05934	3.3
173.09595	30.1
174.09691	1.8
175.07542	3.9
177.05437	7.2
177.09007	3.3
177.12720	7.3
179.08464	2.4
181.06508	2.0
185.09592	3.6
185.13206	1.8
187.07480	4.8
187.11162	29.1
189.09142	2.7
191.07054	2.8
191.10622	15.2
195.08102	2.3
195.11722	2.3
196.08788	1.7
197.09625	3.5
199.11263	2.8
201.09137	3.6
203.06995	2.3
203.10623	1.9
205.08560	9.0
205.12190	28.7
206.12349	1.5
209.11674	7.6
215.07043	3.6
215.10643	28.7
217.08559	3.3
220.54370	1.6
223.11183	3.6
227.10823	2.0
229.12196	2.2
231.13770	2.7
233.07988	3.0
233.11664	28.8
241.12132	4.0
251.12788	11.1
255.13881	2.1
259.13226	6.6
265.12122	5.1
269.11691	4.8
283.13132	11.5
285.14670	3.1
287.12701	4.6
293.11621	5.3
301.14246	11.4
303.05063	3.6
303.15726	2.1
305.13907	2.2
311.12735	19.3
315.05005	4.7
329.13828	25.8
330.07327	2.2
345.09729	9.4
347.14850	32.9
361.20776	1.5
383.16962	14.1
387.22900	1.5
398.87332	1.6
573.96204	1.5
631.22089	12.0
635.61798	1.6
756.38824	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	755.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.0
55.05506	43.8
57.03418	14.9
66.19064	5.7
67.05503	83.3
69.03410	18.1
69.07051	24.5
69.41908	51.3
69.93937	4.9
70.85168	5.5
71.04979	10.1
79.05485	75.0
81.03403	19.9
81.07046	82.6
83.04983	8.1
83.08588	18.9
84.03931	6.6
85.02907	15.6
91.05466	100.0
93.07034	86.3
95.04948	21.9
95.08595	67.2
97.02907	17.1
97.06497	7.2
98.20758	14.1
105.07008	67.2
107.04922	18.0
107.08580	46.3
109.06483	5.8
109.10143	30.5
111.08101	6.4
113.62707	5.0
117.06999	30.7
119.08588	47.0
121.10115	34.0
123.08044	7.4
123.11718	7.1
128.06184	11.4
129.06998	24.5
131.08556	48.8
133.10106	24.3
133.64560	6.0
135.11676	19.0
141.06993	14.0
143.08562	22.8
145.06509	7.8
145.10126	35.3
147.11674	15.5
149.13226	8.9
155.08536	15.3
157.10121	25.6
159.11700	27.9
161.13286	12.3
167.08534	7.5
169.10117	19.0
171.08012	12.3
171.11597	14.8
173.13327	13.2
175.11205	7.2
181.10094	10.8
183.07959	6.0
185.13271	12.0
187.11165	10.3
187.14821	12.9
199.11249	6.3
221.13257	9.6
237.16400	6.9
237.38449	6.5
259.20590	7.3
261.22156	9.0
268.48471	6.4
269.18912	7.0
283.20435	8.5
315.23187	7.5
325.21606	9.8
335.25632	48.9
339.23138	8.9
343.22665	6.6
367.22528	16.9
385.23615	17.0
387.71677	7.1
459.27353	12.1
474.06955	6.1
533.16144	7.5
554.81403	7.3
635.45935	10.9
701.47211	19.7
719.48450	14.9
737.49921	13.7
755.50073	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	756.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.01851	2.4
55.05501	6.6
57.03426	1.4
60.93052	1.5
65.03915	1.8
67.05475	8.4
69.03405	10.8
69.07059	15.5
69.71960	1.2
70.07376	1.2
71.01324	1.6
71.04972	4.8
79.05479	11.1
81.03387	4.5
81.07040	10.0
83.04967	37.4
85.02882	3.2
91.05462	15.9
93.07031	12.8
95.04949	16.5
95.08596	2.8
97.02876	100.0
97.06512	33.0
99.04433	7.2
101.05982	1.8
103.05453	3.1
105.07011	29.6
107.04929	3.6
107.08587	7.5
109.02838	2.4
109.06503	7.3
109.10155	1.8
111.04399	3.0
115.03928	1.6
115.05408	1.7
117.06996	7.5
119.04909	5.2
119.08521	7.8
121.06483	21.2
121.10123	3.9
123.04382	3.0
123.08006	2.0
125.05971	43.5
127.03879	2.6
128.06224	3.8
129.06982	7.9
130.07715	3.6
131.04884	1.8
131.08542	15.6
133.06468	3.9
133.10083	3.8
135.04384	4.0
135.08006	3.3
137.05959	4.1
141.07001	1.6
143.07005	35.7
143.08601	7.0
145.02872	2.7
145.06509	8.1
145.08969	2.6
145.10094	36.3
147.04369	8.7
147.08029	4.5
147.11638	2.8
149.05946	2.5
149.09561	2.9
151.07503	7.6
154.07669	1.8
155.08539	4.3
157.06464	2.3
157.10065	4.9
158.07234	5.3
159.08011	10.0
159.11678	15.4
161.05930	1.7
161.09540	2.5
163.07487	3.3
163.11150	7.4
167.07054	3.0
167.08479	1.5
169.10060	5.2
171.08026	4.8
171.11688	1.4
172.08752	3.4
173.09595	35.4
174.09953	1.5
175.07465	3.3
175.11113	1.5
177.05440	5.3
177.09116	4.3
177.12701	4.7
179.08528	2.1
182.07147	1.4
183.08020	2.0
185.08038	2.4
185.09587	2.8
186.10323	1.8
187.07481	5.6
187.11139	25.5
189.09077	3.8
191.06949	2.2
191.10585	12.6
195.11632	3.1
197.09589	5.4
199.11099	2.4
201.09085	3.2
203.06802	1.5
203.10623	1.9
205.08606	6.2
205.12212	23.8
207.10089	1.7
209.11714	4.2
211.07524	2.2
213.09091	2.9
213.12761	1.7
215.07040	2.1
215.10628	23.1
217.08632	2.3
223.11134	3.2
227.10555	2.2
229.08534	2.1
231.13745	2.0
233.08145	2.4
233.11708	23.0
241.12167	3.7
251.12737	10.3
255.13731	1.9
259.13229	6.1
265.12106	3.7
269.11594	5.4
283.13260	11.7
285.14633	1.7
287.12674	4.3
293.11664	6.3
301.14221	6.0
303.04929	2.4
305.13489	2.1
311.12708	13.5
315.04959	3.2
318.33603	1.4
329.13791	20.3
345.09579	4.2
347.14853	26.7
348.15033	1.7
365.15851	1.7
383.16931	9.6
501.58954	1.3
608.71552	1.4
631.22168	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	755.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
53.10306	0.2
55.01863	0.5
59.86258	0.2
61.02918	0.8
63.02381	0.7
67.05502	0.5
68.99780	1.6
69.03414	2.6
70.06590	0.2
71.01357	0.8
74.62739	0.2
77.03919	0.2
78.04723	0.3
79.05488	0.5
81.03403	1.9
81.07044	0.5
83.04956	0.3
85.02880	0.7
85.06488	0.3
87.00823	0.7
89.01971	0.2
89.03899	7.0
91.05463	1.9
93.07043	0.8
95.04953	1.0
95.08566	0.3
97.02868	2.3
99.04436	0.3
103.05447	0.9
105.03357	0.4
105.07012	0.6
106.04146	0.3
106.41821	0.2
107.04954	0.5
107.08588	0.4
109.02859	5.7
109.06554	0.2
109.10139	0.6
115.05455	0.4
117.03356	23.3
117.07027	0.4
119.04907	1.7
119.08566	0.4
121.06504	0.5
121.10127	0.3
123.04434	0.5
124.05180	0.4
127.03906	1.1
128.06216	0.6
129.01811	1.8
129.06984	1.0
131.04886	1.9
131.08546	0.6
133.02823	1.6
133.06421	0.3
134.03627	1.3
135.04395	2.1
137.05954	1.7
141.06976	0.6
143.08537	0.8
144.05685	0.8
145.02820	65.8
146.03143	1.6
147.02885	0.8
147.04373	2.0
149.02318	0.7
149.05951	9.1
150.06538	0.3
151.03873	0.8
153.01816	2.2
153.05423	0.4
153.06955	0.4
155.04881	0.9
156.05667	0.4
157.06439	1.4
158.06018	0.6
159.04324	0.4
159.08115	0.4
160.05199	0.2
161.05949	0.8
162.03096	0.4
163.03915	0.6
163.07506	0.6
164.04652	0.3
167.06969	0.3
169.06461	1.1
171.08037	0.8
172.05194	0.6
173.05957	0.9
174.06781	0.9
175.03862	2.7
175.07526	0.8
176.04578	0.3
177.05435	100.0
178.05794	2.1
179.03391	0.5
181.06459	0.5
183.04414	0.7
184.05203	0.8
185.05934	0.7
186.05435	2.4
187.07477	2.9
189.05443	1.2
189.09113	0.6
191.06979	0.3
195.06491	0.5
197.05959	0.9
198.06686	0.3
199.07532	2.6
200.04681	0.9
201.05428	2.3
201.09103	0.4
203.06981	0.3
205.04796	0.4
207.06493	1.5
209.05992	0.4
211.03828	0.6
213.03859	0.7
213.09024	0.5
214.06229	0.4
215.06956	6.5
216.07515	0.3
216.30750	0.2
217.04926	0.3
217.08522	2.1
219.06480	0.6
225.05391	0.7
226.06253	0.4
227.07043	0.3
228.04169	1.4
229.04881	0.5
229.08548	0.9
231.02798	0.2
231.06445	1.5
233.05911	0.3
233.08032	4.0
239.06973	0.6
241.08537	1.0
242.05775	0.3
243.06479	4.8
245.08098	1.0
253.04971	0.4
254.05753	0.4
256.03629	0.9
257.08029	3.4
261.07541	31.8
262.07822	1.0
267.06464	0.3
269.08060	4.9
271.05966	1.0
273.03635	0.6
284.03217	0.5
285.04285	0.5
285.07529	6.6
291.08536	0.9
299.05423	1.3
301.03357	2.5
303.08560	8.2
304.08881	0.4
315.05057	0.6
315.08334	0.4
316.05692	2.2
321.09601	0.7
325.10605	1.0
331.08063	15.2
332.08450	0.5
339.10818	0.3
345.09598	1.6
389.08527	0.7
407.09647	4.1
425.10727	9.3
426.10849	0.5
608.60779	0.3
693.14020	0.3
711.16034	0.5
737.18341	0.5
755.18829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01860	0.4
55.05494	0.2
58.91215	0.2
61.02914	1.1
62.01583	0.3
63.02377	0.5
67.05483	0.5
68.99777	1.3
69.03412	1.8
69.19328	0.2
71.01353	1.0
71.61742	0.2
71.62164	0.3
78.04704	0.4
78.26828	0.2
79.05474	0.6
80.97003	0.2
81.03403	1.8
81.07037	0.6
83.04967	0.2
85.02898	0.6
87.00820	0.7
89.03899	7.6
91.05457	1.4
93.07037	0.5
95.04964	0.7
95.08567	0.3
97.02871	1.2
99.04428	0.3
103.05447	0.8
105.03337	0.2
105.07012	0.5
106.04144	0.4
107.04951	0.5
107.08566	0.4
109.02859	6.0
109.06478	0.2
115.05432	0.3
117.03358	24.6
117.07001	0.5
118.03710	0.6
119.04919	0.7
119.08563	0.3
121.06441	0.3
121.10115	0.2
123.04367	0.5
124.05150	0.3
125.96201	0.2
127.03878	0.8
128.06206	0.7
129.01805	1.8
129.07007	1.1
131.04883	1.3
131.08517	0.5
133.10117	0.2
134.03590	1.3
135.04391	1.9
136.06158	0.2
137.02341	0.6
137.05949	1.5
139.05388	0.3
141.06955	0.9
143.08539	0.7
144.05658	0.4
145.02818	69.8
145.10124	0.3
146.03116	1.4
147.02858	0.9
147.04384	1.3
149.05956	8.4
149.09572	0.2
151.03853	0.8
153.06989	0.7
153.92906	0.2
155.04904	0.9
156.05644	0.5
157.06464	1.5
158.05971	0.4
159.04463	0.3
159.08018	0.4
160.05223	0.4
161.05939	0.8
162.03075	0.6
163.03786	0.9
163.07541	0.7
167.03430	0.3
167.04869	0.3
167.06998	0.4
168.05763	0.3
169.06485	0.8
171.08002	1.0
172.05171	0.9
173.05934	1.0
174.06728	0.9
175.03848	0.5
175.07527	0.7
177.05435	100.0
178.05841	3.1
179.03394	0.6
181.06473	0.9
183.04369	0.9
184.05138	0.8
185.02299	0.3
185.05942	0.8
186.05437	2.1
187.07515	2.6
189.05438	1.3
189.09039	0.6
191.07005	0.7
195.06435	0.3
197.05957	0.8
198.06772	0.3
199.07509	2.1
200.04662	1.2
201.05453	2.3
202.06166	0.3
203.07005	0.3
205.04932	0.2
205.08549	0.5
211.03845	0.5
211.07426	0.3
213.03767	0.9
213.08983	0.3
214.06233	0.6
215.06989	6.4
216.07321	0.2
217.08548	2.3
219.06535	0.4
225.05385	0.8
226.06158	0.2
227.06969	0.3
228.04158	0.9
229.04872	0.6
229.08594	1.0
231.06499	1.4
233.08083	5.0
239.03354	3.1
239.06950	0.2
241.08548	0.7
242.05643	0.4
243.06506	4.6
244.07013	0.2
245.08093	0.6
253.04803	1.0
255.02841	0.4
257.08032	3.7
261.07538	36.2
262.07806	1.3
265.04944	0.3
267.02875	0.6
267.06467	0.7
267.15704	0.2
269.04831	0.2
269.07861	0.3
270.05182	0.4
271.05930	2.8
275.08923	0.3
281.04358	0.5
283.06070	0.4
284.03073	1.1
285.07516	7.0
285.10538	0.4
286.08139	0.6
287.05438	0.3
295.05875	0.3
296.06784	0.4
297.07458	0.3
299.05453	16.8
300.05792	0.6
303.08569	8.6
304.09012	0.3
309.24954	0.2
313.07098	0.5
314.07791	7.8
315.05008	1.5
315.08115	0.3
321.09543	0.6
329.10132	39.8
330.07117	0.6
330.10529	1.6
345.05630	0.4
345.09613	4.9
371.07858	0.2
389.08633	0.5
407.09653	4.2
408.09836	0.4
425.10721	8.6
426.10339	0.3
459.15955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	12.0
55.01851	6.5
55.05507	25.2
57.03420	12.0
57.07073	3.4
58.30599	2.7
67.05155	4.0
67.05495	71.2
69.07054	22.2
69.38206	22.8
69.38628	5.5
71.04967	3.3
79.05031	4.7
79.05482	89.3
81.03382	10.3
81.07044	72.4
83.04961	12.3
83.08585	11.5
91.05470	100.0
91.06047	5.0
93.06438	4.9
93.07031	98.1
94.07370	3.1
95.04955	25.0
95.08589	47.1
97.06527	10.0
97.10148	6.1
98.20647	5.8
105.04485	2.9
105.06345	5.5
105.07013	83.4
106.07366	4.5
107.04938	10.4
107.08582	42.1
109.06503	7.9
109.10123	13.4
111.08097	3.0
117.07005	28.5
119.08556	69.8
121.06564	4.4
121.10137	22.8
123.04462	3.6
123.08058	6.3
126.50636	2.9
128.06190	4.0
129.06981	24.2
131.08545	27.6
133.10110	38.4
135.11674	17.6
137.09612	3.2
141.06975	3.3
143.08530	22.4
145.06392	3.9
145.10104	25.4
147.07982	3.7
147.11655	69.9
149.13246	7.3
157.10071	10.0
159.11682	20.4
161.09595	4.6
161.13252	39.2
163.11096	5.7
163.14935	3.4
169.10141	5.1
171.11661	33.5
173.13248	12.5
175.14786	11.8
185.13176	11.8
187.14745	3.4
189.12714	14.0
195.11499	3.3
199.14766	5.2
201.09624	3.0
207.13766	22.3
213.16402	4.0
228.11249	3.2
231.21025	6.7
241.19493	29.8
242.20009	3.1
259.20535	77.6
260.20889	4.1
279.15778	16.9
281.17413	81.8
297.16800	2.9
315.23135	8.3
322.80817	3.1
333.24207	56.0
437.33856	4.0
447.32401	10.3
465.33344	9.6
483.34689	5.4
521.36365	3.3
529.38708	3.6
539.37299	85.7
540.37604	4.9
557.38416	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.7
54.92464	4.3
55.01863	6.0
55.05503	32.9
57.03421	15.1
57.06806	4.4
57.07068	60.7
59.69458	4.4
61.02899	10.5
64.18534	4.1
66.64549	3.7
67.05494	52.0
69.07055	29.4
70.73183	10.9
71.04973	4.5
71.08623	40.5
79.05482	41.8
81.03379	4.7
81.07044	72.2
83.08607	22.9
85.02879	8.1
85.10166	20.3
89.08263	4.6
91.05461	62.2
93.07027	61.8
95.04945	6.9
95.08599	61.0
97.02863	11.6
97.06519	4.3
97.10151	8.0
105.07013	72.8
107.08583	36.7
109.10118	20.0
111.08101	4.3
115.05468	5.4
117.07001	22.2
119.08569	62.2
121.10112	22.3
123.08078	5.0
123.11691	7.5
128.06235	7.5
129.06987	19.5
131.08553	41.5
133.10114	44.1
135.11688	21.5
143.08508	15.2
145.06453	3.9
145.10057	22.2
147.11678	42.1
149.13229	12.3
155.08577	5.0
157.10120	14.4
159.11697	22.8
161.13237	40.5
169.10042	5.7
171.11649	18.1
173.13239	16.5
175.14914	9.4
185.13264	11.2
187.14835	7.6
189.12772	5.4
189.16423	4.1
199.14838	8.1
231.21025	5.9
241.19514	32.3
248.50288	4.7
259.20523	79.9
297.18686	4.4
301.21454	5.0
313.27341	100.0
315.23248	5.1
333.24155	43.5
367.22552	6.9
368.69073	5.2
385.23447	4.9
571.46851	10.8
589.48340	25.7
591.30908	4.4
679.48962	7.0
733.52271	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	751.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
57.03421	0.5
58.64950	0.2
66.83733	0.2
67.05521	0.3
68.99783	0.6
69.03421	1.4
69.07069	1.8
69.49581	2.0
79.05473	0.8
81.03404	0.3
81.06999	0.2
83.04952	0.2
84.75686	0.2
85.02892	1.0
87.04438	0.4
91.05448	0.6
93.03390	0.2
95.04955	0.5
97.02884	0.9
97.06520	1.6
98.21167	1.0
105.07010	0.5
107.04935	0.6
109.02860	0.3
115.03934	0.5
115.05452	0.3
119.04927	0.3
121.02825	0.2
121.06509	0.6
123.04439	0.4
131.04889	0.3
133.04956	0.7
133.06470	0.6
135.04422	0.5
137.06029	0.3
139.03917	0.3
139.07497	0.3
147.04387	0.7
148.05159	0.3
149.05948	0.6
150.06718	0.3
151.03897	0.6
151.07524	2.0
153.01869	0.3
153.05481	0.5
161.05971	0.9
162.06749	0.5
163.03882	1.9
163.07520	0.4
164.04704	0.9
165.01814	0.3
165.05455	0.3
165.09105	0.5
167.03395	0.2
167.07047	1.6
168.00586	0.7
168.07799	0.6
169.01331	1.4
171.04384	0.4
173.05933	0.3
175.03903	0.3
175.07605	0.3
175.41792	0.2
177.01747	0.2
177.05469	1.0
178.06227	7.1
179.03381	1.0
179.06996	3.6
180.07771	0.7
181.01286	1.3
181.04973	0.6
181.08606	1.4
185.00810	0.8
186.01578	0.8
187.07478	0.3
189.05469	1.0
191.03357	0.6
191.07014	1.5
192.04131	0.4
192.07837	0.4
193.01315	0.2
193.04965	0.8
193.08554	3.7
194.09406	0.7
195.02898	0.3
195.06442	0.5
195.10135	0.6
198.01588	0.9
199.02399	0.6
199.04021	0.3
201.05370	0.3
205.01273	0.6
205.04938	0.9
206.02028	0.3
207.02827	1.6
211.02240	0.3
217.04976	0.8
218.05757	0.6
219.02910	1.3
219.06468	0.7
220.03830	0.5
221.04488	1.1
221.07962	0.2
223.02318	1.3
223.05856	0.4
224.03113	0.4
229.04990	0.4
231.06570	0.3
233.04462	1.0
235.05962	0.8
236.06694	0.5
237.03804	1.1
238.04688	0.7
243.06572	0.4
245.04457	1.8
246.05214	1.9
247.05988	0.7
253.07159	0.4
254.07825	0.3
263.05472	0.8
264.06232	0.4
265.07095	0.8
285.03867	0.4
297.07553	0.3
299.05499	0.7
303.05002	0.4
311.05484	0.4
313.03455	0.7
313.07111	0.3
314.04370	0.4
314.07751	0.9
315.04977	0.3
317.06430	1.3
327.04965	0.9
328.05774	0.3
329.06543	3.4
331.04520	1.6
331.08054	0.4
341.06317	0.3
342.07272	1.4
343.04495	1.9
343.08191	0.3
345.05978	2.0
345.09695	0.5
346.06860	1.4
355.08176	0.3
357.05981	0.6
358.06723	0.6
359.07620	0.8
360.08331	7.8
361.09128	4.9
365.06235	0.3
367.08029	0.4
369.09476	0.4
371.07574	0.5
373.09174	8.7
374.09692	0.4
381.09698	0.7
383.07532	0.6
385.09137	1.5
386.09964	0.3
387.10806	0.6
395.11337	0.4
398.09924	0.5
399.10712	3.4
401.12329	1.6
406.10239	0.4
409.09210	1.1
413.12231	3.2
414.13104	0.7
415.13760	0.3
424.11154	0.5
427.10199	0.4
429.15372	1.8
439.13870	3.7
442.12430	0.4
457.14886	100.0
458.15222	4.3
619.19708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
55.01860	0.7
55.05509	0.3
57.03410	0.7
61.77875	0.2
65.03929	0.2
67.05492	0.9
67.23853	0.2
68.99779	0.7
69.03419	1.5
69.07065	1.8
69.60925	1.4
70.89072	0.1
79.05486	1.1
80.06252	0.2
81.03408	0.4
81.07059	0.2
83.01339	0.4
83.04956	0.4
85.02885	1.2
85.32517	0.2
87.04444	0.7
91.05459	0.6
93.03402	0.2
93.07022	0.6
95.04955	0.5
95.08597	0.5
95.17503	0.1
97.02887	1.5
97.06507	1.7
103.05412	0.2
105.03355	0.3
105.07026	0.5
105.56594	0.2
107.04936	0.6
107.08562	0.3
107.67124	0.2
109.02851	0.3
109.06495	0.3
115.03915	0.6
115.05421	0.4
117.06992	0.2
119.04940	0.6
121.06496	0.6
121.10118	0.4
123.04391	0.5
125.05939	0.2
127.03899	0.2
131.04909	0.3
131.08551	0.2
133.02823	0.2
133.04984	0.4
133.06453	0.9
135.04385	0.7
135.08028	0.2
136.05186	0.3
137.02341	0.2
137.05956	0.7
139.07498	0.3
143.04892	0.2
145.02802	0.8
145.06451	0.2
147.04395	0.9
148.05128	0.3
149.02322	0.3
149.05998	0.7
150.06689	0.2
151.03922	0.4
151.07495	1.9
153.01753	0.3
153.05484	0.5
157.06468	0.3
159.04350	0.2
161.05916	1.0
162.06746	0.7
163.03896	2.2
163.07608	0.3
164.04698	1.3
165.01797	0.3
165.05441	0.7
165.09103	0.5
166.06186	0.3
166.99753	0.3
167.06996	1.8
168.00529	0.6
168.07768	0.6
169.01283	1.6
171.04323	0.2
173.05925	0.4
175.03877	0.6
175.07536	0.3
177.01884	0.2
177.05467	2.2
178.06233	8.5
179.03387	0.8
179.06999	4.3
180.04301	0.2
180.07744	0.7
181.01280	1.2
181.04930	0.5
181.08559	1.4
185.00754	1.0
185.05971	0.3
186.01591	0.7
187.03767	0.2
187.07472	0.2
189.05467	0.9
189.09024	0.3
190.06212	0.2
191.03381	1.0
191.06996	2.2
192.04176	0.4
192.07780	0.7
193.01276	0.3
193.04893	1.1
193.08572	4.2
194.02000	0.2
194.09340	0.8
195.02840	0.7
195.06554	0.6
195.10146	0.4
197.05934	0.2
198.01620	0.7
199.02359	1.1
199.03952	0.3
201.05363	0.5
203.03314	0.4
203.07010	0.4
205.01314	0.8
205.04913	0.8
205.08543	0.2
206.05806	0.3
207.02837	1.7
207.06503	0.6
208.03563	0.3
209.04504	0.4
211.02371	0.3
215.06952	0.3
217.04956	1.3
217.08575	0.2
218.05702	0.4
219.02859	1.5
219.06505	0.8
220.03606	0.3
221.04428	1.3
221.08055	0.4
223.02333	1.8
223.05988	0.3
224.03062	0.3
225.03815	0.4
227.10590	0.2
229.05006	0.4
231.02901	0.2
231.06590	0.2
233.04367	1.1
235.05945	0.9
236.06804	0.6
237.03893	1.8
238.04625	0.7
243.02898	0.2
243.06447	0.4
245.04407	2.5
246.05151	1.9
247.05966	0.7
253.07063	0.3
254.07828	0.5
257.04453	0.6
263.05396	0.8
264.06171	0.4
265.06989	1.1
271.06100	0.3
273.07602	0.2
274.04706	0.3
275.04990	0.2
285.04010	0.4
286.04434	0.2
289.07184	0.5
294.04950	0.2
299.05338	1.0
301.07129	0.2
302.04068	0.3
303.05042	0.3
309.10593	0.2
311.05389	0.2
312.06128	0.3
313.03372	1.0
313.07059	0.5
314.04211	0.6
314.07870	0.9
315.04868	0.6
317.06494	1.6
319.06549	0.2
325.03244	0.2
325.07050	0.2
327.05035	1.2
328.05640	0.4
329.06537	4.0
330.07071	0.3
331.04443	1.5
331.08099	0.8
335.09082	0.2
337.06894	0.2
339.04883	0.3
339.08499	0.4
340.05719	0.4
341.06445	0.4
342.07382	1.5
343.04428	2.4
343.08078	0.3
345.06015	2.3
345.09723	0.4
346.06815	2.3
353.10220	0.4
355.07892	0.2
357.06180	0.9
358.06790	0.6
359.07617	1.8
360.08334	10.2
361.09064	6.8
363.08817	0.3
367.08182	0.5
369.09738	0.5
371.07675	0.5
372.08444	0.4
373.09143	9.9
374.09424	0.3
381.09702	0.6
383.07349	0.8
385.09036	1.4
385.13156	0.3
386.09610	0.4
387.06348	0.3
387.07587	0.3
387.11166	1.3
395.11417	0.4
396.12000	0.3
397.08856	0.3
398.09796	0.3
399.10760	3.6
401.12167	1.7
405.09628	0.3
406.10321	0.3
409.09122	1.2
411.14224	0.7
413.12268	4.1
414.12936	0.6
415.13861	0.4
423.10611	0.3
424.11447	0.6
427.10178	0.7
429.15564	1.9
439.13809	4.0
442.12079	0.3
457.14862	100.0
458.15158	4.5
528.56207	0.2
601.18365	0.2
619.19904	0.4
707.20972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03409	0.8
61.36602	0.3
61.58142	0.2
65.03927	0.3
67.05476	0.4
68.99780	0.7
69.03426	1.3
69.07064	1.7
71.04867	0.8
79.05486	0.6
83.01361	0.3
83.04958	0.4
85.02879	1.0
87.04446	0.5
91.05463	0.4
93.07044	0.3
95.04975	0.5
97.02876	1.3
97.06531	1.9
98.20667	0.2
102.58665	0.2
105.07030	0.6
107.04938	0.8
109.02848	0.3
109.06461	0.4
112.28863	0.2
115.03890	0.7
115.05444	0.4
117.07019	0.3
119.04924	0.4
121.06483	0.7
123.04434	0.5
125.05965	0.3
131.04877	0.4
133.04987	0.3
133.06464	0.5
135.04414	0.7
136.05145	0.3
137.05939	0.3
143.04929	0.3
147.04372	0.7
149.02400	0.3
149.05910	0.4
151.03900	0.3
151.07491	1.8
153.01840	0.4
153.05429	0.5
161.06029	1.2
162.06697	0.7
163.03903	2.3
164.04642	1.3
165.01799	0.3
165.05487	0.6
165.09067	0.7
167.07021	2.0
168.00500	0.9
168.07758	0.8
169.01299	1.8
169.06468	0.3
173.06004	0.4
175.03854	0.5
175.07584	0.4
177.05457	1.5
178.06223	9.8
179.03407	1.3
179.06981	4.4
180.07838	0.8
181.01335	1.0
181.05064	0.3
181.08621	1.5
185.00844	0.9
185.06215	0.2
186.01543	0.5
187.07469	0.3
189.05481	1.2
191.03340	0.7
191.06999	2.3
192.04146	0.7
192.07759	0.7
193.04901	0.8
193.08557	3.7
194.09357	1.1
195.02933	0.6
195.06522	0.7
195.10185	0.5
198.01611	1.1
199.02374	1.0
201.05432	0.4
203.03383	0.6
205.01282	0.6
205.05020	0.9
206.01920	0.3
206.05769	0.3
207.02885	2.0
207.06514	0.4
215.06938	0.3
217.04956	1.0
218.05801	0.7
219.02890	1.2
219.06389	0.7
220.03520	0.7
221.04468	1.1
223.02365	2.1
223.05945	0.5
225.03969	0.7
229.04941	0.5
231.06561	0.3
233.04451	0.9
235.05977	0.9
236.06821	0.5
237.03857	1.6
238.04701	0.7
243.06467	0.5
245.04422	2.1
246.05132	1.8
247.05923	0.6
253.07040	0.4
254.07863	0.6
257.04453	0.7
263.05481	0.6
264.06226	0.6
265.07010	1.5
271.05981	0.6
285.03909	0.8
287.05704	0.3
289.07025	0.4
299.05414	1.1
303.04956	0.4
313.03317	1.2
313.06940	0.4
314.04242	0.6
314.07751	0.8
315.04843	0.5
317.06512	1.8
318.06870	0.3
325.07037	0.3
327.04855	0.7
328.05664	0.4
329.06528	3.5
331.04425	1.4
331.08093	0.6
339.08487	0.4
340.05542	0.3
341.06705	0.3
342.07477	1.6
343.04477	2.7
343.08194	0.4
345.05975	3.1
345.09741	0.4
346.06778	1.7
357.06049	0.7
358.06854	0.5
359.07660	1.1
360.08347	8.6
361.09119	6.7
363.08542	0.5
367.08017	0.5
367.11917	0.4
371.07391	0.6
372.08038	0.4
373.09146	10.0
374.09570	0.5
381.09647	0.6
383.07559	0.4
385.08954	1.5
386.10001	0.4
387.06723	0.6
387.10892	0.9
395.11450	0.4
397.09003	0.5
398.09875	0.5
399.10739	2.9
401.12299	1.5
409.09286	1.3
411.14490	0.5
413.12320	3.7
414.12851	0.8
415.13925	0.4
424.11499	0.7
427.09772	0.5
429.15460	1.8
439.13922	4.3
442.12381	0.6
457.14877	100.0
458.15228	7.6
505.65500	0.3
619.20862	0.6
770.29584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.4
66.85180	0.1
67.05426	0.2
68.99703	1.2
69.03362	0.2
69.06969	0.9
69.53782	1.2
79.05396	0.9
97.06515	5.1
105.06940	0.2
107.04897	0.2
133.02682	0.2
133.06364	0.4
135.04314	0.3
139.00249	1.3
146.99510	0.2
147.04288	0.3
150.06654	0.3
161.05891	0.3
162.06783	1.0
163.03856	1.2
164.04539	0.6
165.05336	0.5
165.09109	0.7
167.06909	0.4
168.00420	0.7
169.01180	0.6
177.05353	0.5
178.06226	5.1
179.06960	1.4
181.01070	0.2
185.00816	1.3
186.01479	0.7
191.03206	0.6
191.07047	0.9
192.07713	0.3
193.08543	1.6
194.09331	0.3
195.06393	0.3
203.03340	0.3
205.04686	0.2
205.08690	0.2
206.05623	0.6
215.03398	0.2
218.05635	0.4
219.06381	0.3
229.04877	0.4
231.02768	0.4
242.05667	0.2
243.06456	0.3
244.07077	0.2
245.04460	0.2
246.05231	1.6
247.05797	0.2
257.04327	0.6
259.02240	0.8
260.06583	0.4
269.04315	0.2
270.05087	0.5
271.02621	0.2
271.05692	0.3
273.03870	0.6
274.04691	6.6
275.05167	0.4
277.03369	0.4
285.03836	0.7
288.06232	0.6
292.05652	0.8
293.77057	0.2
297.03815	0.2
299.05338	0.7
301.03275	1.4
301.06693	0.3
302.03970	0.2
303.04840	0.5
313.03375	0.6
314.04196	0.3
314.08081	0.2
315.04855	0.6
315.08270	0.3
316.05728	4.0
317.06451	0.9
327.04855	0.3
328.05719	0.6
329.02750	1.5
329.06506	1.3
330.07098	0.2
331.04370	3.1
331.08023	20.5
332.04895	0.3
332.08368	0.8
342.07208	0.4
343.04163	0.2
344.05212	0.3
345.05963	1.1
346.06824	3.3
347.07162	0.3
359.07550	17.2
360.08212	2.3
361.09100	5.3
362.09232	0.3
367.08435	0.2
383.07602	0.4
413.12408	0.3
427.10190	6.0
427.15982	0.3
428.10330	0.3
441.11649	0.5
442.12555	1.8
457.14859	100.0
458.15231	7.8
458.21756	0.3
525.42841	0.2
772.65955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01863	9.5
55.05501	16.8
57.03419	3.6
57.07056	4.5
61.02929	1.7
67.05495	29.4
69.07059	26.0
70.35869	1.5
70.96271	4.3
71.01344	39.2
71.04975	2.9
71.08609	2.9
73.02898	5.4
75.04468	10.9
79.05485	17.6
81.03395	2.6
81.07043	48.2
81.57901	1.4
83.08611	14.4
83.36255	1.2
85.02891	51.3
85.16468	1.3
85.73000	1.3
91.05453	18.5
93.07027	37.0
95.01334	9.6
95.04929	2.6
95.08589	100.0
97.02898	1.7
97.10142	9.5
101.02364	76.5
103.03908	2.1
105.07010	40.6
105.07726	2.1
107.08575	61.2
109.06499	2.0
109.10137	79.5
110.10490	1.8
111.08089	3.5
111.11720	5.3
113.02354	3.0
117.07012	3.3
119.07876	1.2
119.08558	55.7
121.10127	56.7
123.08062	2.0
123.11684	29.8
125.13294	1.6
127.03887	18.3
127.73088	1.4
131.03375	2.8
131.08539	10.7
133.10107	56.5
134.10443	1.8
135.11676	46.0
137.09624	1.5
137.13220	16.3
141.01804	16.3
141.41991	1.7
143.08548	2.7
145.04936	94.8
145.10089	16.2
147.11668	40.8
149.13246	27.8
151.11176	2.6
151.14856	3.0
157.10074	5.2
159.02870	3.0
159.11678	18.7
160.12097	1.5
161.13232	43.6
163.14790	30.9
165.16368	2.2
171.11711	3.9
173.13226	15.5
175.14803	27.2
177.05504	1.5
177.14915	3.0
177.16374	37.3
179.17949	4.6
185.13229	3.2
187.14787	17.3
189.16365	69.5
190.16614	2.0
191.17911	67.2
199.14862	2.2
201.16342	25.7
203.17934	41.1
205.19513	18.9
207.17453	10.1
213.16359	2.9
215.17905	19.2
217.19496	49.8
218.19846	2.2
219.21056	6.2
221.19011	2.7
227.17921	4.7
229.19456	23.1
231.21056	11.8
241.19409	3.3
243.21080	8.9
245.22598	9.8
255.21106	6.2
257.22617	11.1
269.22614	5.7
271.24106	11.9
283.24188	6.0
285.25797	2.6
297.25662	11.4
299.27167	2.6
311.27359	2.4
323.27435	1.7
324.56613	1.5
337.29065	2.1
345.09497	1.8
365.32004	5.4
383.20691	2.2
407.36658	85.2
408.37149	7.8
425.37888	20.2
444.35074	3.4
509.96246	1.6
583.41083	1.9
601.40698	6.8
745.38458	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	745.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01853	0.5
58.36729	0.1
61.02906	0.4
65.03921	0.6
67.05479	0.2
67.26890	0.2
69.03416	1.0
69.89858	0.4
69.90270	0.5
70.06567	0.2
71.04934	0.2
77.03908	0.4
79.05502	0.2
81.03388	0.4
85.02891	1.7
89.03902	0.5
91.05471	2.0
91.22525	0.1
93.03381	0.7
93.07005	0.2
95.04951	0.8
97.02879	12.2
98.03206	0.2
99.04401	0.2
103.05451	0.5
105.03360	1.0
105.07027	0.3
107.04962	0.2
109.02850	0.8
111.04448	0.2
114.75883	0.1
115.05421	0.4
117.03385	1.0
117.06947	0.2
119.04931	1.7
121.02871	0.7
121.06509	0.7
122.03655	1.0
123.04452	0.3
124.05186	0.2
125.02319	0.3
127.03897	100.0
128.03421	0.2
128.04236	1.0
128.06178	0.6
129.06955	1.6
131.04916	0.5
133.02831	18.9
134.03235	0.3
135.04387	0.7
137.02312	0.1
137.05957	8.2
139.05411	0.3
143.04868	0.2
144.05682	0.2
145.02817	1.1
145.04936	0.3
145.06490	0.5
147.04376	1.3
149.02310	0.6
149.05963	3.6
150.06746	1.2
151.03889	0.5
151.07491	0.2
153.01740	0.3
155.04846	0.2
157.03935	0.2
157.06512	1.6
160.05180	0.2
161.05989	1.4
162.03075	0.3
163.07541	0.3
165.05475	2.1
167.03386	3.2
167.04857	0.4
167.07021	0.2
169.06470	0.3
171.08040	0.3
172.05154	0.3
173.05943	0.6
174.06758	0.5
175.03879	3.8
175.07521	0.5
177.05457	2.2
177.06944	0.2
181.06502	0.3
183.08084	0.2
184.05229	0.3
185.05960	1.8
186.06725	0.2
187.07449	0.9
189.05408	0.2
189.07565	0.2
189.09071	1.0
191.06982	0.3
193.04910	0.5
199.03906	0.2
199.07506	0.9
201.05414	1.9
203.06993	0.3
205.06453	0.6
207.06493	0.6
211.07556	0.4
212.04544	0.2
213.05461	2.1
215.06944	0.3
217.08620	1.4
219.06618	0.2
221.06006	0.3
221.08134	0.4
222.06783	0.2
227.06963	1.0
228.07877	0.3
229.08699	0.3
231.06479	0.5
233.05911	1.1
234.06606	0.2
235.07559	0.2
245.08063	4.1
246.08763	0.8
249.05507	0.5
250.06177	0.3
251.06989	0.2
253.08736	0.1
259.69064	0.1
261.05414	0.4
264.07867	0.3
265.08545	0.4
269.08319	0.2
272.10495	0.2
277.04913	0.3
279.06537	0.2
287.05722	0.1
289.09326	2.5
292.07257	0.5
293.08044	0.6
295.06110	0.3
297.07471	1.0
303.04959	0.2
307.09503	0.2
315.08838	0.3
325.10657	9.7
326.11108	0.2
335.05429	0.4
351.04935	0.2
363.12515	0.2
375.12439	0.2
379.04459	0.8
393.13266	0.6
397.05551	1.6
403.11826	0.2
415.06467	0.4
421.12781	0.5
439.14127	1.0
457.15012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01863	0.7
55.05502	1.5
57.03415	1.9
57.07065	1.1
59.70834	0.6
61.02921	5.4
61.80873	0.6
67.05496	5.7
69.03411	4.1
69.07047	1.4
71.04971	1.2
71.60621	0.9
73.02906	4.0
76.63243	0.7
79.05488	5.5
81.03401	2.1
81.07047	6.3
83.04961	0.7
83.08588	1.4
85.02892	4.7
91.03923	3.5
91.05463	2.7
93.07027	5.4
95.04973	1.4
95.08600	5.5
97.02878	6.6
99.04460	1.1
101.02382	1.4
105.07021	1.5
107.08584	2.9
109.02846	1.5
109.10168	1.9
117.06976	0.6
119.08594	2.0
121.10154	2.1
127.03889	1.1
131.08606	0.9
133.10110	1.4
135.11703	0.9
135.85513	0.7
145.04944	0.7
145.10130	1.9
149.09602	0.8
159.11729	0.8
163.11186	2.3
173.65747	0.6
181.12230	0.7
212.13573	0.7
227.12668	1.4
243.08502	1.9
249.10974	11.3
249.13597	0.7
279.73456	0.7
305.13766	1.1
335.25552	0.9
467.19098	4.7
519.29248	9.2
520.29602	1.0
548.39392	1.1
586.74640	0.7
745.41180	100.0
746.41357	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	745.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55560	0.7
55.01860	1.4
57.03430	7.6
61.02898	1.9
65.03927	0.9
68.99779	1.9
69.03416	14.0
69.69364	6.2
71.33134	0.8
77.78058	0.8
79.05494	0.9
81.03407	5.2
83.04971	1.2
85.02892	33.0
87.04446	4.1
89.03923	1.2
90.47353	0.9
91.03933	1.7
91.05448	1.4
95.04955	2.3
97.02879	11.7
99.04433	1.3
103.03899	1.6
107.04938	1.3
109.02887	5.6
111.00786	1.1
111.04392	1.0
115.02042	0.9
115.03938	4.2
117.03395	1.3
121.02839	10.4
123.04406	4.0
125.02335	2.5
127.03883	5.6
128.74008	0.9
131.04933	1.2
133.02924	1.0
133.04900	2.7
135.04376	4.1
137.02322	2.9
137.05980	1.7
141.01828	1.8
145.02809	3.0
145.04910	3.4
147.04369	2.3
148.97195	1.0
149.02295	2.8
151.03848	2.1
153.01773	7.4
163.03882	22.6
165.01819	25.5
165.05478	0.9
171.02855	2.9
175.03830	1.7
177.01816	16.1
177.05377	1.6
179.03308	2.0
181.04848	1.1
183.02866	16.9
183.06570	1.1
187.03868	2.2
189.01793	4.3
191.03363	18.5
193.01230	1.2
195.02861	100.0
196.03226	1.7
201.01651	1.0
203.03415	4.5
205.04869	1.7
207.02878	6.2
209.04337	1.7
213.03918	3.3
215.03345	3.1
217.04967	1.6
219.02849	41.6
220.03142	1.0
223.02348	1.4
225.03960	2.6
229.04909	1.4
231.02847	23.4
233.04497	4.0
237.03865	6.9
243.02843	6.4
245.04427	1.3
249.03897	10.6
257.04623	1.0
261.03891	26.6
273.03882	3.0
279.02399	0.9
279.04926	5.1
285.03897	2.2
287.05334	5.9
288.05801	3.1
289.06985	8.4
291.04813	2.0
297.06042	3.0
301.07034	20.6
303.04901	3.9
313.06985	28.5
314.07095	1.3
321.05975	1.3
325.06995	3.2
331.08069	45.9
332.08295	1.8
339.07037	2.1
343.07971	2.4
355.08051	33.6
367.08148	7.7
379.08063	4.3
385.09128	6.4
397.09116	21.2
401.30792	0.9
409.08963	1.2
415.10223	15.8
428.11902	0.9
429.10355	1.1
433.11298	17.7
439.10379	1.7
445.11160	1.5
451.11893	2.7
457.10950	2.1
463.12354	5.1
475.12177	2.9
493.13544	1.0
517.13330	5.7
529.13831	5.6
529.20276	1.1
541.13458	1.6
559.14459	2.3
577.15521	4.5
595.16101	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	744.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01865	2.0
55.05505	16.3
57.03431	7.6
57.07067	8.6
59.04998	3.2
61.02907	3.5
65.03931	2.8
67.05499	93.7
69.03429	2.4
69.07066	13.1
69.98127	8.9
71.04987	24.0
71.08614	3.2
79.05486	35.9
81.03423	4.1
81.07048	45.4
83.04962	3.2
83.08604	9.4
85.02898	3.4
85.06555	3.9
85.10187	2.3
91.03917	1.9
91.05471	30.3
93.06441	3.0
93.07030	48.1
95.04945	5.4
95.08594	33.0
97.02871	3.0
97.06518	5.2
97.10136	4.8
98.21357	2.3
99.08063	2.4
105.07030	14.7
107.08582	21.5
109.06496	3.6
109.10141	58.3
111.08079	3.7
117.06991	5.6
119.08564	15.1
121.10131	14.3
123.08108	1.8
123.11643	2.7
124.32745	1.6
129.07054	1.6
131.08543	5.8
133.10117	6.8
135.11674	13.2
137.09619	7.6
145.10115	6.2
147.11650	4.3
149.13243	2.9
155.10632	3.5
159.11661	4.1
163.11156	3.7
173.11719	7.0
173.13170	3.2
175.03906	1.7
181.12209	1.9
199.07504	2.5
231.02757	2.6
243.15836	2.6
245.04575	1.7
255.15787	4.1
261.22052	3.8
271.05911	1.8
285.16910	2.6
287.18509	19.0
313.27228	7.6
314.27612	5.4
335.25772	29.1
336.25861	2.5
336.57208	1.5
352.12344	2.6
369.13065	1.7
413.15775	2.4
454.94083	2.0
471.34872	2.4
487.19641	3.9
488.19983	4.1
489.35736	100.0
490.35977	6.3
503.37009	4.8
515.37360	11.7
547.39886	85.5
548.40063	7.0
643.10144	1.7
726.42914	2.2
744.45532	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	743.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
53.20113	0.1
67.05497	0.2
69.03410	0.3
69.40710	1.2
69.41105	0.2
73.76458	0.1
79.05467	0.2
79.53213	0.1
81.03399	0.2
81.06994	0.2
83.08591	0.2
85.02897	0.2
87.71476	0.1
91.05450	0.3
93.07010	0.2
95.04943	0.5
95.08573	0.2
97.02848	0.6
105.03378	7.3
106.03717	0.1
107.04941	0.3
109.10144	0.2
117.07018	0.1
120.96004	0.1
123.04400	0.2
135.04401	0.1
136.71065	0.1
137.05954	0.2
147.04387	0.3
149.05997	0.2
151.07408	0.2
153.01807	1.2
156.74332	0.1
161.05991	0.2
163.03879	0.7
165.09085	0.5
167.07005	0.9
170.02104	0.2
171.13928	0.2
177.05495	0.6
178.02643	0.3
178.06227	3.5
179.03372	0.4
179.06778	0.1
189.05493	0.4
201.05458	0.3
204.04201	0.3
213.05583	0.2
216.04146	1.1
217.04921	0.5
219.06471	0.8
227.03343	0.2
228.04131	0.2
231.02934	0.2
231.06502	0.7
237.07564	1.6
238.07932	0.1
241.02916	0.1
241.05017	0.5
243.06509	0.5
244.03644	0.7
245.04344	0.2
255.02844	6.1
256.03336	0.3
257.04318	0.1
259.06015	1.2
269.04385	1.6
271.06049	0.3
272.03107	0.2
281.04367	0.4
282.05148	0.2
283.02341	1.1
283.06003	0.5
284.03052	0.4
284.06693	0.3
285.03946	0.2
285.07205	0.2
287.05466	6.4
288.05774	0.2
297.03900	1.9
298.04437	0.4
299.05478	1.2
300.02600	2.4
301.03397	0.2
301.07047	0.4
303.04865	0.6
311.05478	0.4
312.06219	1.1
313.07034	0.9
314.07748	0.2
315.04932	39.8
316.05328	1.4
329.06531	0.8
330.07288	18.9
331.07568	0.7
332.40717	0.1
340.32181	0.1
345.09625	100.0
346.09991	3.7
346.13943	0.1
416.37100	0.1
743.18921	0.2
743.40607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.41465	0.7
55.01867	0.8
55.05503	2.6
57.03419	2.3
57.07070	2.7
61.02921	6.3
66.65281	0.7
67.05502	8.3
69.03406	4.4
69.07066	3.3
71.08616	1.2
73.02907	4.9
79.05485	6.6
81.03413	2.5
81.07047	8.0
83.08612	1.1
84.07925	0.9
85.02881	8.0
85.10166	1.1
91.03947	4.4
91.05495	5.4
93.07027	7.8
95.04982	1.7
95.08591	8.1
97.02880	6.0
99.04449	1.6
101.02370	1.9
105.07013	4.2
107.08593	2.9
109.02850	0.9
109.10177	3.0
119.08593	2.9
121.10160	2.8
127.03899	1.7
129.07013	1.4
133.10144	1.8
135.11697	1.4
145.10159	1.1
147.11722	2.3
157.24590	0.9
159.11589	1.0
185.04343	0.8
203.05238	0.9
243.08578	1.5
247.13020	1.3
313.27374	2.9
334.64185	0.9
335.25931	1.2
395.14865	1.4
465.20963	4.5
487.19452	1.4
519.29138	9.8
743.43323	100.0
744.43536	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	743.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96241	0.1
66.25713	0.1
69.29869	0.5
69.30300	0.7
70.06543	0.1
73.91361	0.1
85.02901	0.1
86.09685	0.1
97.02883	1.0
105.03384	0.2
107.04939	0.2
123.04428	0.3
127.95553	0.1
135.04385	0.2
137.02310	0.1
145.02834	0.1
145.06503	0.1
147.04379	0.3
153.01801	1.2
161.02324	0.1
161.05974	0.2
163.03886	0.8
167.07033	0.8
170.02043	0.3
171.78244	0.1
176.04651	0.1
177.05453	0.2
178.02664	0.5
178.06227	3.5
179.03368	0.4
179.06627	0.1
183.02896	0.2
189.05467	0.1
191.03407	0.1
203.03450	0.1
204.04204	0.3
205.05064	0.1
213.05438	0.2
214.73856	0.1
216.04167	0.9
217.04990	0.4
221.06256	0.1
227.03397	0.3
228.04184	0.2
231.02820	0.2
231.06477	0.9
239.03453	0.1
239.07028	0.1
241.04953	0.6
243.06496	0.5
244.03711	0.7
245.04446	0.2
253.05022	0.1
255.02852	6.4
256.03302	0.4
257.04373	0.1
259.05975	1.7
269.04398	2.2
269.07352	0.1
270.04767	0.1
271.06049	0.3
272.03137	0.4
281.04404	0.4
283.02316	1.4
283.05945	0.6
284.03049	0.6
284.06750	0.4
285.03885	0.3
285.07166	0.2
286.08191	0.1
287.05466	7.0
288.05829	0.3
289.10791	0.2
297.03888	1.8
298.04642	0.4
299.05524	1.2
300.02658	2.3
300.05823	0.1
301.03510	0.1
301.07034	0.3
303.04755	0.1
311.05481	0.3
312.06256	1.2
313.07010	0.9
314.04349	0.1
314.07590	0.2
315.04947	41.0
316.05319	1.9
329.06555	1.0
330.07291	19.1
331.07718	1.2
345.09631	100.0
346.09979	4.4
399.07376	0.2
440.58307	0.1
441.12195	0.1
507.14740	0.5
531.98993	0.1
724.41034	0.1
743.08911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.201
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.3
55.01854	0.7
55.05489	0.4
57.03429	3.1
59.04976	0.3
61.02913	1.3
65.03919	0.4
67.05484	0.5
68.99769	0.3
69.03419	6.3
70.06583	0.4
71.01329	0.4
71.04980	10.4
71.37642	0.5
73.02888	1.1
75.04456	0.8
81.03387	0.7
83.04963	2.1
85.02892	15.5
87.04457	2.8
91.03924	0.8
94.43974	0.3
94.82652	0.2
95.04932	0.6
97.02872	5.8
97.06512	0.4
99.04435	0.9
107.04952	0.8
109.02856	0.6
109.06548	0.3
111.00749	0.3
111.04397	1.5
115.03904	3.8
117.05466	0.3
121.02036	0.4
121.02837	3.6
123.00795	0.4
123.04430	0.6
125.02351	0.4
125.05960	0.3
127.03886	1.1
129.05466	3.4
131.26707	0.3
133.04955	3.2
135.04353	0.6
137.02296	0.9
137.05945	0.6
137.06926	0.3
139.03845	0.4
145.04924	0.7
145.06477	0.3
147.04420	0.4
147.06537	1.7
150.05487	0.5
151.03880	0.3
153.01787	1.5
153.05487	0.7
155.04977	0.3
157.06430	0.3
161.05977	0.4
163.05920	0.4
165.01851	0.5
168.07692	0.3
169.01320	2.6
169.04813	0.3
171.06511	0.6
177.05502	0.6
181.01247	0.4
181.08607	0.3
183.02867	0.3
189.05380	0.4
189.07646	0.4
201.05379	0.5
206.02655	0.5
207.03078	0.4
225.07515	1.0
229.04875	1.4
234.02203	3.1
235.02463	1.5
243.08650	0.7
247.05927	0.6
257.04391	1.4
261.09686	1.7
269.04721	0.3
271.05933	0.5
274.04599	0.5
275.05524	0.5
280.02704	1.4
281.02954	1.0
285.03922	0.8
287.05502	3.2
288.05807	0.3
299.05396	0.4
303.04941	100.0
304.05197	2.0
314.06656	0.4
315.04709	0.4
325.06927	0.3
328.03732	0.3
328.08337	0.3
329.09821	0.6
330.10617	0.6
343.10483	0.5
344.10980	1.1
345.05930	1.0
369.06049	0.6
413.08023	0.3
431.09671	1.1
435.09302	0.8
447.08969	0.4
448.10547	2.1
449.10751	4.3
450.09738	0.3
465.10239	1.6
611.15851	1.1
662.79871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.1
55.73418	0.1
57.03423	1.2
59.04948	0.3
61.02920	2.0
68.99775	0.3
69.03421	4.1
70.64744	0.2
70.65150	0.2
71.01328	0.1
73.02911	0.5
75.04450	0.2
76.23497	0.1
81.03368	0.3
85.02893	4.1
87.04454	3.0
87.45513	0.1
91.03947	1.0
95.04903	0.1
97.02879	3.7
98.21383	0.1
99.04404	0.1
103.03878	0.1
105.03329	0.1
107.04910	0.2
109.02824	0.2
111.00779	0.5
115.03142	0.2
115.03907	2.9
118.03081	0.1
121.02849	2.2
127.03883	1.0
133.02852	0.5
133.04955	3.1
135.04353	0.2
137.02290	0.4
145.04897	0.4
145.06502	0.1
147.04343	0.5
153.00664	0.2
153.01801	2.3
157.06386	0.1
161.05894	0.2
163.05977	0.2
165.01816	1.4
171.04323	0.1
171.28387	0.1
177.05441	0.1
183.02908	0.6
185.05934	0.3
192.22044	0.1
201.05573	0.1
203.06859	0.1
213.05417	0.9
215.78023	0.1
231.06413	0.5
241.04924	0.9
258.05215	0.8
259.05988	0.3
269.04358	0.1
283.06073	0.1
286.04562	0.1
287.05444	100.0
288.02808	0.2
288.05777	2.6
299.05505	0.7
303.04895	0.4
310.91763	0.1
311.05426	0.1
325.06934	0.1
329.06522	1.2
353.06448	0.4
365.06610	0.2
383.07675	0.2
419.09711	0.9
431.09607	0.2
449.10721	16.7
450.11029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2013
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.01852	0.4
57.03426	2.3
61.02908	0.8
69.03413	5.0
69.25436	0.7
69.25875	3.0
70.98652	0.3
71.04978	8.8
73.02888	0.9
81.03402	0.6
83.04962	2.0
85.02887	14.4
85.03404	0.7
87.04453	2.3
89.02367	0.3
91.03926	0.7
95.05003	0.4
97.02875	4.9
99.04428	0.9
103.80044	0.3
111.00787	0.7
111.04420	1.2
111.46381	0.3
115.03909	4.6
121.02827	0.7
127.03904	1.1
129.05461	3.7
133.04936	3.4
137.02313	3.1
145.04958	0.8
147.06467	2.0
153.01790	2.3
158.24730	0.2
163.03883	0.8
165.01831	1.9
171.06493	0.9
175.33853	0.3
183.02875	0.7
201.05408	1.3
207.06664	0.4
225.07599	1.0
229.04877	2.6
243.08595	0.8
247.06035	0.6
257.04358	2.3
261.09702	1.4
274.04715	0.4
285.03882	0.9
303.04941	100.0
304.05295	3.0
315.04874	1.0
318.35547	0.3
335.37265	0.4
338.62466	0.3
345.06088	1.4
369.05988	0.5
435.09171	0.8
447.09055	0.6
465.09995	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	743.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.3
57.03430	0.7
65.03926	0.8
65.21214	0.2
67.76359	0.3
69.03423	2.4
69.24180	2.7
69.24593	1.1
71.04987	0.7
82.50900	0.3
85.02899	2.2
87.04427	0.8
91.05468	7.7
95.04966	0.6
97.02882	4.0
108.30957	0.3
109.02829	0.3
115.03897	0.6
119.04935	18.2
120.05251	0.4
121.02841	0.6
121.91903	0.3
127.03889	0.4
128.24141	0.3
137.02298	1.2
137.05940	0.4
147.04391	100.0
148.04767	2.3
149.02390	0.6
153.01781	1.0
159.07976	0.4
165.01872	0.6
165.05556	0.3
167.03270	0.4
177.05536	0.5
195.02812	0.3
201.05484	0.8
213.05411	0.4
229.04927	1.2
257.04404	1.3
261.07632	1.7
279.08676	0.4
285.03595	0.4
287.05411	2.8
288.05933	1.7
289.06143	1.4
291.08813	0.4
303.04962	31.4
304.05331	1.0
309.09653	7.9
315.04953	0.5
315.37869	0.3
327.04861	0.3
345.06052	2.0
369.06107	0.5
411.06912	0.4
435.09213	0.6
441.13855	0.5
509.95950	0.3
648.64264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
65.03938	1.1
67.05453	0.2
68.99780	0.6
69.03414	1.3
70.06572	0.3
70.11407	1.2
71.04986	0.3
78.41489	0.2
79.05484	0.2
81.03408	0.6
81.57133	0.3
84.08128	0.3
85.02904	1.4
87.04456	0.6
91.05466	6.5
93.03371	0.3
93.07088	0.2
95.04949	0.5
97.02883	2.1
98.20749	0.2
99.04446	0.3
103.05439	0.3
107.04945	0.3
109.02846	0.7
111.00789	0.9
115.03895	0.4
115.05450	0.3
119.04927	15.8
120.05231	0.4
121.02831	1.4
123.04443	0.3
127.03938	0.4
131.04895	0.5
132.05287	0.2
133.04918	0.2
137.02309	3.0
145.02785	0.4
147.04387	71.4
148.04703	1.6
149.02315	0.5
153.01814	3.9
161.06017	0.4
163.03883	1.0
165.01825	1.8
165.05507	1.7
165.09068	0.8
165.10364	0.2
173.06020	0.4
177.05434	0.7
179.03291	0.2
183.02847	1.0
183.04376	0.4
191.03447	0.2
191.07127	0.3
201.05441	1.6
205.04941	0.2
213.05522	0.3
219.06502	0.4
229.04901	4.2
231.06474	0.3
247.06027	0.6
257.04388	3.1
261.07541	0.4
274.04773	0.7
279.08655	0.3
285.03925	1.2
287.05396	1.2
291.08566	0.8
303.04947	100.0
304.05255	4.1
305.05792	0.3
309.09656	1.6
315.04898	0.2
330.36569	0.2
345.05875	0.4
545.61615	0.3
757.95947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1803
Annotation	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.4
54.15349	0.3
55.05492	0.3
56.94025	0.3
57.03418	0.4
61.02901	0.6
65.03935	2.7
67.05476	0.7
68.99796	0.8
69.03413	1.2
69.28626	3.7
71.04980	0.8
81.03413	1.1
83.04947	0.4
85.02894	4.0
91.05469	7.4
93.03378	2.4
95.04961	0.6
97.02879	32.8
98.03237	0.4
107.04987	0.6
109.02854	0.9
111.00796	1.0
115.04610	0.3
115.05374	0.5
119.04928	14.5
120.05241	0.6
121.02864	2.4
125.02301	0.3
127.03903	1.0
128.06210	0.6
129.06975	0.5
131.04892	0.8
131.08568	2.2
137.02306	4.0
137.05902	0.3
140.53316	0.3
141.06979	1.4
144.05679	1.4
145.04951	0.5
145.06458	0.5
147.04387	57.4
148.04747	2.0
149.02332	2.3
149.04982	0.4
153.01801	4.3
155.04883	0.3
157.06458	1.3
158.07265	0.4
159.04457	0.3
159.08020	8.2
161.05956	0.4
163.03879	0.9
165.01814	2.0
167.02066	0.6
167.03375	7.7
169.06470	3.7
171.08073	1.0
173.06039	0.4
177.05479	0.9
183.02916	1.2
185.05980	0.9
187.07513	4.9
191.07176	0.3
196.99254	0.3
197.05946	4.0
201.05449	1.8
213.05411	0.4
215.06998	6.8
219.06348	0.5
225.05505	0.5
229.04935	4.5
243.06474	1.3
247.06009	0.4
257.04327	2.8
261.07538	13.9
274.04770	1.1
279.08545	1.5
285.03873	1.5
287.05444	5.2
288.05835	3.1
289.06058	1.8
303.04947	100.0
304.05365	3.1
309.09702	0.7
311.59250	0.4
315.05066	2.3
327.04749	0.3
330.07159	0.5
345.05960	1.8
345.09680	2.5
369.06168	0.4
389.93600	0.3
397.36356	0.4
447.09344	0.4
451.56702	0.4
465.10434	0.5
498.52414	0.3
611.13641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94279	2.5
53.03923	7.3
55.01866	3.7
55.05508	25.6
57.03438	17.4
57.07064	5.9
58.77242	2.9
61.02906	3.8
62.88659	3.3
67.05166	6.2
67.05501	89.0
69.03440	3.3
69.07060	26.6
71.04964	7.9
71.58473	5.4
79.05492	67.5
81.03413	29.0
81.07052	100.0
81.48013	2.8
83.04972	8.0
83.08608	19.9
85.02905	2.8
91.04938	5.4
91.05470	69.7
93.07034	95.8
95.04948	21.3
95.08599	50.8
97.02880	4.1
97.06509	10.5
97.10185	5.6
99.08036	6.7
103.87485	2.8
105.07024	65.3
107.04940	5.4
107.08587	55.9
109.06480	5.4
109.10131	20.0
111.08064	10.1
115.05380	4.7
117.07005	21.6
117.38253	3.0
119.07772	4.1
119.08578	48.9
121.06522	3.2
121.10133	44.0
123.11661	6.6
128.79570	3.0
129.06966	12.0
130.07701	4.1
130.65517	2.7
131.08560	29.6
133.10121	49.7
135.11699	25.1
137.09645	3.4
137.13161	3.3
143.08536	8.6
145.10086	20.0
147.11690	37.3
149.12149	4.1
149.13255	36.9
157.10095	13.1
159.11700	32.1
161.13240	26.5
163.14839	3.2
165.12750	3.5
171.11662	13.1
173.13248	7.5
174.14285	3.0
175.11150	3.4
175.14789	13.5
177.12729	8.3
183.11649	4.1
184.07385	6.7
185.13243	12.8
187.14850	6.2
193.10413	3.1
193.12225	8.4
193.59052	3.2
193.61574	2.8
195.13780	11.4
199.14813	4.6
201.16313	3.3
231.21187	7.0
241.19502	29.6
243.21059	4.6
257.18933	4.8
259.20547	78.5
261.22180	10.6
267.15915	47.1
268.16086	3.7
269.17447	79.9
270.79340	3.7
299.23734	3.2
301.24973	3.6
305.16406	3.0
333.24170	58.7
335.25763	34.3
435.32294	6.9
453.33334	9.4
471.34290	4.0
527.37299	98.6
545.38287	35.0
750.17767	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	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
53.06052	0.7
53.45301	0.8
55.01855	1.6
55.05503	16.9
57.03427	11.0
57.07065	2.9
61.02903	2.5
62.34996	0.8
65.03928	1.7
67.05495	44.9
68.05817	1.0
69.03416	3.8
69.03748	0.8
69.07058	11.4
69.37772	0.9
69.38099	8.8
71.04978	4.7
71.08610	1.0
79.05480	31.6
80.05823	1.1
81.03407	41.3
81.07043	41.7
82.07408	1.1
83.04961	8.3
83.08604	17.8
85.02897	16.2
85.06537	2.1
91.05462	24.9
93.06435	1.7
93.07028	32.5
95.04952	18.0
95.08591	26.9
96.08912	1.2
97.02875	2.3
97.06505	2.7
97.10119	4.6
98.21421	1.3
99.04470	0.9
99.08034	1.1
105.07016	16.9
107.04941	3.3
107.08573	17.6
107.09248	1.2
109.06510	3.6
109.10123	11.0
111.04437	2.3
111.08054	6.1
113.05992	1.7
117.06998	2.6
118.58578	0.8
119.08556	15.4
119.51344	0.9
121.06448	1.0
121.10121	14.9
123.08060	2.0
123.11653	4.2
125.09639	1.6
129.06979	6.0
131.08548	9.9
133.06535	1.2
133.10110	7.8
135.11664	7.3
137.09544	1.0
143.08470	1.1
145.10117	5.0
147.08046	2.4
147.11655	12.7
149.09618	3.8
149.13235	3.7
151.11201	1.1
156.53577	1.0
157.10089	9.3
159.11662	2.1
161.13217	2.9
163.11214	1.6
163.14841	1.4
165.12773	2.2
173.13223	1.5
175.11168	8.8
175.14969	1.0
183.11676	1.1
193.12224	24.3
195.57149	0.9
211.13246	37.3
227.12750	2.9
229.14255	1.7
231.02831	1.0
243.21025	2.3
249.14615	1.1
261.22052	5.7
267.00546	1.1
267.15958	6.7
283.15549	1.2
285.16922	36.4
313.27222	1.6
335.25751	61.4
336.22345	1.0
336.26077	3.5
435.32327	1.0
487.19037	1.3
527.37219	6.4
544.36542	1.2
545.38306	100.0
546.38544	2.6
580.25916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.85403	1.0
55.01876	1.6
55.05505	18.0
57.03429	12.3
57.07059	3.1
59.04964	0.9
61.02923	2.0
65.03922	2.2
67.05496	55.4
69.03408	2.2
69.07057	20.2
71.04974	4.9
79.05482	33.3
81.03396	1.6
81.07046	100.0
83.04977	5.6
83.08606	10.5
85.02896	1.9
85.06540	5.7
91.03953	1.8
91.05467	31.4
93.06439	2.1
93.07030	37.9
95.04956	4.8
95.08592	42.0
97.02853	1.6
97.06509	7.2
97.10159	2.2
99.08073	4.4
101.05988	1.3
105.07018	39.5
107.08577	24.5
109.06510	5.8
109.10145	13.3
111.08065	1.5
113.05988	1.7
117.07008	3.7
119.08566	26.2
121.10126	30.1
123.08046	5.0
123.11697	28.5
127.07565	1.8
128.27319	0.9
129.06981	2.8
131.08530	7.5
133.10107	8.4
135.11673	7.4
137.09607	0.8
137.13222	4.2
141.09070	1.2
145.10101	4.3
147.11665	61.5
148.12006	1.2
149.09584	1.4
149.13240	4.5
157.10127	2.4
159.11668	4.5
161.13231	3.2
163.11150	0.9
163.14845	3.0
165.12741	20.6
173.13257	4.1
175.11215	1.5
175.14795	1.9
183.13797	3.2
187.14816	1.9
193.12247	2.2
229.14357	7.6
229.75154	1.1
243.21091	6.9
261.22119	21.7
262.22467	1.0
267.15881	65.3
268.16202	0.9
271.06155	1.2
279.23141	1.3
285.16925	87.9
286.17233	1.7
313.27396	1.7
317.24826	4.0
335.25748	79.8
336.26096	2.1
353.26846	2.8
426.78815	1.1
453.33426	1.4
471.34726	1.7
527.37183	5.2
545.38275	52.3
546.38379	3.7
563.39087	2.5
594.49860	1.1
651.86005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01860	3.3
55.05505	20.8
57.03431	14.5
57.07067	4.4
61.02914	4.3
65.03930	2.8
67.05496	57.3
69.03414	4.4
69.07057	15.4
69.26892	12.0
71.04984	6.5
71.08611	2.6
73.02924	1.9
76.94755	1.1
79.05480	43.0
79.86544	1.2
81.03407	52.5
81.07045	55.6
82.07381	1.1
83.04974	14.9
83.08604	26.7
83.09083	1.7
85.02894	22.6
85.06507	1.8
85.10165	1.5
91.03934	1.6
91.05466	41.0
93.07032	42.5
95.04953	26.7
95.08594	37.2
97.02882	5.1
97.06499	5.5
97.10164	6.2
99.08073	2.4
102.86395	1.0
105.07018	27.5
107.04957	5.3
107.08575	20.5
107.09246	1.5
109.06496	4.5
109.10147	16.4
110.17805	0.9
111.04429	3.1
111.08051	9.4
113.05950	1.4
115.05453	1.1
117.07004	6.2
119.08561	22.4
121.06465	2.1
121.10132	17.5
123.08076	3.8
123.11669	4.7
125.09592	2.0
127.07520	1.0
129.06979	8.9
131.08545	14.8
133.06435	2.4
133.10120	16.7
135.08128	1.2
135.11678	9.3
137.09602	2.9
137.13249	1.8
142.07794	2.5
145.10052	6.8
147.04495	1.0
147.08047	2.7
147.11664	15.9
149.09584	5.8
149.13287	5.0
155.08595	1.5
157.10091	14.5
159.11705	3.1
161.13252	3.0
163.11258	1.5
163.14867	1.3
165.12738	3.1
169.10109	1.0
171.11610	1.1
173.05984	2.2
173.13278	2.8
175.11160	13.5
175.14769	1.6
187.14816	1.6
193.12219	45.0
211.07629	1.7
211.13263	74.0
213.09160	1.1
227.12801	1.8
243.20955	2.4
249.14929	1.3
261.22119	9.0
267.15860	16.7
268.32404	0.9
269.17581	0.9
283.15558	1.3
285.16916	77.0
313.23792	1.0
313.27359	4.5
317.24768	2.6
335.25754	77.5
336.26315	2.5
367.15338	1.2
395.15225	1.1
435.32465	1.8
453.33472	2.3
487.19922	1.5
508.10956	1.0
527.37103	11.3
545.38300	100.0
546.38641	4.3
563.39313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01859	2.1
55.05506	14.9
57.03429	11.3
57.07071	1.9
58.71502	0.9
61.02900	1.5
65.03917	1.5
65.84481	0.9
67.05497	39.7
69.03423	4.6
69.07058	12.0
69.35477	10.5
71.04977	2.8
78.54485	1.0
79.05483	34.6
81.03408	45.0
81.07047	44.4
82.07381	1.3
83.04973	11.4
83.08602	18.5
85.02894	17.7
85.06540	2.5
87.62531	0.9
91.05467	24.9
93.07034	32.5
95.04954	20.3
95.08007	1.9
95.08600	25.8
97.02877	2.4
97.06519	4.9
97.10174	4.0
99.08126	2.1
105.07024	19.7
107.04941	3.4
107.08580	16.2
109.06511	5.2
109.10134	11.1
111.04443	1.4
111.08057	7.8
117.06989	4.5
119.08564	15.1
121.06479	1.0
121.10117	15.5
123.08059	1.8
123.11685	3.4
125.09627	2.2
128.06107	1.0
129.07021	7.2
131.08563	12.2
133.06477	2.2
133.10115	12.0
135.11655	8.5
142.07738	2.1
145.10115	5.4
147.08000	2.1
147.11647	12.2
149.09619	4.5
149.13246	3.4
157.10094	13.4
159.11685	2.7
161.13278	1.9
163.11186	1.6
163.14807	1.2
165.12769	2.3
173.13208	1.4
175.11189	9.4
187.14857	1.3
193.10887	0.7
193.12225	34.3
211.13277	47.9
212.13553	1.2
227.12813	2.2
243.21159	2.3
261.22098	7.0
267.15891	10.4
283.15469	1.9
285.16931	49.7
286.17261	1.8
313.27222	1.6
317.24750	1.7
335.25781	50.0
336.25891	1.6
435.33008	1.1
453.33240	1.3
471.34525	1.1
487.19556	2.1
527.37134	6.4
545.38318	100.0
546.38660	6.5
565.41095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01826	2.0
55.05501	18.8
57.03424	13.8
57.03847	0.6
57.07026	2.6
61.02914	3.4
65.03902	2.4
67.05493	51.6
68.05802	0.8
69.03424	3.3
69.07056	14.1
70.30469	0.5
70.87019	1.5
71.04984	5.3
71.08599	1.3
73.02883	1.2
79.05481	39.1
81.03403	40.5
81.07040	52.6
83.04966	10.1
83.08604	19.5
85.02891	19.4
85.06479	2.5
91.03909	0.9
91.05463	32.5
93.07027	39.3
95.04951	21.1
95.08590	35.5
97.02865	3.9
97.06511	4.3
97.10146	3.0
99.08028	1.0
103.17655	0.6
105.04479	1.1
105.07011	25.4
107.04930	4.5
107.08571	18.5
107.09684	1.0
109.06516	4.0
109.10134	12.0
110.40851	0.5
111.04388	1.7
111.08054	6.9
111.46776	0.6
113.05934	2.0
115.05391	1.1
117.07013	4.7
119.04874	0.7
119.08561	19.0
121.06445	1.7
121.09288	1.0
121.10114	18.5
123.08078	3.6
123.11698	6.4
125.09554	1.9
127.07553	0.7
128.06206	0.8
129.06985	7.2
131.08542	14.8
133.06416	2.1
133.09204	0.7
133.10117	12.6
135.08017	1.1
135.11665	7.7
137.09555	2.3
137.13191	0.9
139.11131	0.8
142.07698	2.0
143.08473	0.8
145.10089	6.2
147.07964	2.4
147.10599	1.0
147.11662	13.6
149.09613	4.5
149.13245	5.7
151.11115	0.8
155.08540	0.8
157.08902	0.8
157.10091	10.2
159.11594	3.5
161.13217	3.1
163.11063	1.1
163.14737	2.0
165.12720	2.8
171.11584	0.9
173.13271	3.0
175.11186	10.2
175.14743	0.8
185.13171	0.5
187.14709	2.3
193.12210	32.7
193.13989	1.6
194.12589	0.7
199.14886	0.8
201.16223	0.6
211.13251	48.6
212.13509	1.0
243.21028	2.4
249.14754	0.9
261.22113	11.4
265.08316	0.7
267.15903	12.6
269.17630	1.0
285.16913	52.7
286.17252	1.3
301.24954	0.6
313.27255	2.1
316.40668	0.7
317.24701	3.1
324.18082	0.8
334.94427	0.5
335.25739	93.6
336.25946	3.3
407.73358	0.6
417.31210	1.2
435.32599	2.2
453.33704	1.5
471.34610	1.4
527.37286	12.5
545.38287	100.0
546.38599	6.5
563.39685	1.3
580.41669	1.2
668.23895	0.6
724.40515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.7
55.05504	13.2
57.03207	1.0
57.03429	10.5
65.03901	1.0
67.05493	18.0
69.03402	4.2
69.07067	6.2
69.65878	4.1
69.66280	1.5
70.06562	1.0
71.04989	4.3
78.04641	0.9
79.05481	22.7
81.03404	50.5
81.07040	17.7
83.04956	6.0
83.08602	13.3
85.02876	2.9
85.06501	2.0
86.57311	0.8
87.04487	1.0
91.05466	17.9
93.07027	16.1
95.04955	17.1
95.08598	9.0
97.02866	5.7
97.06525	6.4
97.10158	11.8
103.05444	1.3
105.07017	12.3
107.04935	15.6
107.08569	12.5
109.02871	1.0
109.06508	17.3
109.10149	5.9
111.04398	1.7
111.08080	3.9
115.05438	1.5
117.03335	1.8
117.07014	5.8
119.04910	2.3
119.08558	11.6
121.06484	11.1
121.10116	10.7
123.04414	1.7
123.08035	4.7
123.11697	1.0
125.09620	12.0
127.03924	0.8
128.06148	1.1
129.06952	6.2
131.04880	3.1
131.08551	10.2
133.06447	4.2
133.10100	4.7
135.08043	7.4
135.11665	2.5
137.05949	2.2
137.09590	1.6
139.11150	1.7
141.06961	1.8
142.07738	1.6
143.08549	2.6
145.02798	3.0
145.06474	4.9
145.10081	4.0
147.04385	2.9
147.07994	3.7
147.11673	6.6
149.05927	1.7
149.09619	4.2
151.07573	1.2
153.01788	2.4
153.09074	2.6
155.08458	1.4
157.06454	2.3
157.10123	5.2
159.08009	2.2
159.11662	1.8
161.05933	2.0
161.09610	2.3
163.03755	1.1
163.07483	1.0
163.11142	3.3
165.09082	1.5
165.12672	1.1
167.06963	2.1
167.08408	1.2
167.10648	1.5
167.53288	0.8
169.10039	1.3
171.10220	1.0
171.11670	2.3
173.09610	1.4
173.13210	3.6
175.07587	1.1
175.11145	6.3
177.05437	5.9
177.12746	1.2
185.13297	1.2
187.11166	2.1
189.11154	5.0
189.12720	1.8
191.14255	3.7
193.12213	13.8
195.11749	1.3
197.13274	1.1
199.11127	1.4
203.14275	1.3
205.12154	1.5
211.13251	1.2
213.12772	1.7
215.14293	1.9
219.13744	11.0
223.13245	1.3
225.12611	1.0
227.12715	2.4
231.13704	1.1
233.15321	4.2
235.13397	0.9
241.12064	0.9
241.14313	1.6
245.15582	1.0
249.14781	1.5
259.13229	0.8
259.15421	7.1
267.15863	39.9
273.14752	5.6
287.05286	1.2
293.17395	7.0
297.07330	1.1
303.04901	1.4
309.16931	1.1
315.04944	1.6
316.71191	0.9
330.07330	1.0
339.23236	1.8
345.09622	4.2
349.21573	3.8
357.24057	2.3
367.22665	13.9
385.23679	22.2
386.24020	1.1
403.24750	9.2
404.25134	0.9
433.25757	2.0
441.26181	6.9
451.26913	5.6
459.27341	100.0
460.27762	5.1
460.78281	0.9
477.28421	95.1
478.28659	4.0
491.30011	8.3
492.09656	1.3
492.30115	1.1
495.29675	7.1
501.28372	3.3
509.30869	3.7
521.14313	1.1
522.14423	2.7
550.13983	1.0
567.29199	2.3
580.34637	1.0
724.16473	1.4
742.18365	9.7
743.17456	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	741.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.6
69.80856	0.3
70.87952	0.7
70.89156	0.3
76.51570	0.3
83.97623	0.7
84.96023	0.6
88.40105	0.3
97.02910	0.4
98.97575	1.1
101.98637	0.4
110.97563	0.4
112.99132	0.5
116.98600	0.6
128.00232	0.8
128.23120	0.3
128.98595	0.5
131.00130	1.1
135.97090	0.3
140.98566	1.1
143.00095	0.4
146.01212	3.8
146.99644	0.5
147.04448	0.5
149.01263	0.5
155.99718	0.8
156.98073	1.7
158.99626	3.4
161.01205	0.3
163.03902	1.2
164.02299	8.3
170.99582	2.2
174.00754	2.9
174.04312	0.6
174.99120	2.8
177.00687	7.3
182.03346	2.5
183.03366	0.3
187.03865	0.3
189.00676	11.3
192.01784	1.7
193.00220	0.5
195.01698	2.3
202.00311	0.3
203.05815	0.7
204.05505	0.4
207.01733	10.9
212.02219	0.4
213.04361	0.8
218.07001	3.7
225.02451	0.4
225.04353	1.1
228.05414	2.0
230.03262	0.7
231.05379	4.8
234.90990	0.3
236.07980	1.3
236.31464	0.3
242.03294	0.4
243.05402	1.7
246.06566	0.7
248.04427	0.3
249.06441	1.7
258.06436	2.4
260.82611	0.3
261.06479	1.3
272.07993	0.4
273.06427	2.7
276.07510	10.2
277.07785	0.4
281.08185	0.4
283.08539	0.3
291.07465	16.7
292.07858	0.5
294.08521	1.3
299.09125	0.9
309.08490	2.8
314.09079	1.2
331.08139	0.5
336.09525	0.5
341.31201	0.3
345.08438	0.3
361.15659	0.3
362.11157	14.3
363.11465	0.5
374.12921	0.6
380.12265	0.4
390.10657	100.0
391.10931	3.0
408.11725	11.6
409.11966	0.4
431.13345	2.5
527.04639	0.4
609.21564	0.4
741.25531	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	742.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01862	0.5
55.05497	0.7
57.03431	0.4
61.02906	0.4
65.03947	0.2
67.05500	0.7
68.99765	0.2
69.03420	2.3
69.07053	0.3
70.06598	0.3
71.04977	0.3
72.76479	0.2
73.02883	0.2
77.03909	0.4
79.05488	1.4
81.03409	2.4
81.07043	0.8
83.04977	1.0
85.02893	2.8
86.09674	0.2
87.00827	1.1
91.05476	1.4
93.07041	0.6
93.31324	0.1
95.04957	1.9
95.08608	0.3
96.04475	0.2
97.02881	100.0
98.03217	0.8
99.04417	0.7
103.03923	0.3
103.05444	0.2
105.01928	1.0
105.03380	24.7
105.07021	0.2
106.03732	0.2
107.04939	0.6
107.08559	0.4
109.02873	1.5
109.06480	0.2
111.04422	1.0
114.05508	0.4
115.03931	0.3
115.05445	2.0
117.07005	17.3
118.07339	0.3
119.08535	0.3
121.06522	0.3
121.10062	0.2
123.04428	0.8
123.11737	0.2
125.02319	0.3
125.05968	0.3
127.03904	2.0
129.01810	0.4
129.05466	0.7
129.06946	0.2
131.08531	0.2
135.04402	0.2
135.05431	0.2
137.02286	0.2
137.05960	6.7
139.03870	0.5
143.08601	0.2
145.04933	0.4
145.06482	0.3
147.02843	0.2
147.04379	0.2
149.05965	0.5
151.03929	0.3
159.02861	0.6
161.05930	0.6
163.03937	0.3
171.07739	0.1
173.04544	0.2
173.06009	0.2
175.07494	0.2
177.05479	0.8
179.07021	1.7
181.04927	0.5
184.07362	0.3
189.03902	1.0
194.21144	0.2
195.06499	3.0
197.14957	0.1
199.06033	0.2
201.05411	0.4
203.07014	0.8
205.04947	0.5
210.14899	0.3
213.03946	0.3
215.05263	0.3
215.07159	1.4
219.06526	1.5
221.08113	0.2
223.05917	0.5
229.37518	0.1
231.04915	0.4
233.08011	0.5
237.07527	3.2
238.07912	0.2
239.10588	0.2
241.07030	0.7
241.12138	0.5
245.08058	0.5
254.10187	0.2
265.12021	0.2
279.08640	0.2
291.13602	0.2
302.51349	0.1
303.08627	0.3
307.13339	0.7
309.05920	0.4
319.13254	2.3
327.06982	0.7
331.13156	0.3
335.25784	0.3
345.08148	0.9
347.95349	0.1
349.09097	0.3
349.13959	0.2
353.08612	0.2
355.11609	0.5
361.14182	0.3
367.09967	0.2
373.12885	0.9
385.11313	0.7
385.15729	0.2
405.10883	0.2
439.40564	0.2
449.10559	0.6
467.11783	1.0
485.12698	0.5
527.37787	0.2
562.40930	0.4
598.42114	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	741.222
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
55.01857	0.1
55.05504	0.1
57.03429	1.2
59.04980	0.2
61.02898	0.3
65.03939	0.1
69.03419	1.9
70.41649	0.1
70.51360	0.1
71.01324	0.1
71.04981	5.4
71.61420	0.1
73.02880	0.3
75.04451	0.3
79.05471	0.1
81.03394	0.3
83.04975	0.8
83.23837	0.1
84.18333	0.1
85.02889	7.2
87.04453	1.3
91.03948	0.2
92.02624	0.3
93.03391	0.6
95.04984	0.1
96.17229	0.1
97.02882	2.1
99.04427	0.4
103.72981	0.1
109.02827	0.1
110.03649	0.2
111.04428	0.5
113.05962	0.1
115.03905	1.7
117.05460	0.1
121.02841	0.7
121.06457	0.1
123.04404	0.7
127.03865	0.3
129.05464	1.8
133.04942	1.6
135.04402	0.1
137.02312	4.7
137.05952	0.2
138.02654	0.1
139.03844	0.1
145.04921	0.4
147.06512	0.9
149.02345	0.3
149.04445	0.1
151.03880	0.4
157.06361	0.1
163.03860	0.2
163.05945	0.2
165.05466	0.1
167.03233	0.1
171.06503	0.2
181.04822	0.1
185.05956	0.4
187.03825	0.1
189.07610	0.1
201.05470	0.3
202.06200	0.3
203.03287	0.2
207.06612	0.2
212.04607	0.5
213.05385	1.6
223.67230	0.1
225.07544	0.3
229.04883	0.5
230.05701	1.6
231.02791	0.1
241.04889	1.4
241.07082	0.2
243.08612	0.4
244.03560	0.5
245.08093	0.3
257.04462	0.9
258.05209	3.3
259.05499	0.2
261.09628	0.5
268.03607	0.3
269.04410	2.7
270.04794	0.1
279.10648	0.1
285.03806	0.1
285.07281	0.1
286.04663	11.3
287.05060	0.5
301.07007	100.0
302.07355	4.1
302.10840	0.2
463.12271	3.1
464.12906	0.2
507.86267	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	741.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	1.1
55.01831	1.2
55.05479	0.6
57.03397	1.1
61.02888	0.8
64.39340	0.3
65.03919	0.4
66.32315	0.3
67.05461	1.4
68.99747	0.9
69.03419	7.1
69.07030	0.7
71.04943	0.9
71.60207	0.3
73.02902	1.5
77.10876	0.3
79.05479	2.1
81.03408	7.0
81.07014	1.2
81.91302	0.3
83.01328	0.3
83.04945	0.6
83.08603	0.5
85.02407	0.4
85.02887	7.4
87.00821	2.0
87.04454	0.5
89.03886	0.6
91.05460	2.5
93.03355	0.4
93.07021	1.5
95.01267	0.7
95.04907	1.1
95.08561	0.9
97.02879	3.8
97.06505	0.8
99.04461	2.0
103.03902	0.6
103.05444	2.5
104.06242	0.3
105.01826	1.0
105.07007	3.7
107.04965	1.6
109.02864	4.7
109.10115	0.6
111.04397	0.5
115.03910	0.3
115.05431	0.8
117.03342	0.6
117.07003	0.4
118.04170	2.0
119.04856	0.9
119.08509	0.5
121.02833	0.6
121.06512	2.4
121.10114	0.8
123.00774	2.5
123.04370	0.9
123.07991	0.3
127.03897	6.1
128.06174	0.7
129.01747	0.5
130.04121	0.8
131.04901	3.2
131.08508	0.5
132.05646	1.3
133.06485	3.8
133.10091	0.7
135.04382	1.7
135.07990	0.4
135.11644	0.6
137.02318	0.3
137.05927	1.0
137.09618	0.5
139.03893	0.3
141.06912	0.4
145.02798	1.4
145.04915	1.1
145.10017	0.6
146.03503	0.3
147.04356	1.7
148.05138	0.8
149.02286	0.5
149.05948	3.0
149.09520	0.4
151.07501	0.8
152.01007	1.4
153.01807	2.3
154.06168	1.0
156.05643	0.6
159.02859	1.0
159.04285	0.4
161.05971	5.1
163.07474	0.8
163.11140	0.5
165.05457	0.7
165.09047	1.7
167.03349	0.5
167.07019	4.3
168.05722	0.8
169.06389	0.4
170.01993	0.6
171.08038	6.3
173.05946	0.4
176.04669	1.7
177.05421	4.8
178.06111	1.1
179.07033	0.8
181.06450	0.8
181.08459	0.7
182.09355	1.6
183.07973	1.1
184.05156	1.4
187.05913	0.6
189.09154	0.3
191.06984	4.4
192.07785	1.6
193.08559	2.9
195.04465	0.4
195.06451	0.4
199.07431	0.8
205.04947	0.8
207.06493	0.5
209.05916	2.6
209.08052	1.7
209.11562	0.3
210.08839	2.9
211.07536	0.8
212.04597	1.0
223.03893	0.6
227.07076	0.7
229.08578	2.0
231.04875	0.7
239.06970	0.9
240.04210	0.7
240.07703	1.9
241.04890	0.5
242.05502	0.4
252.04149	0.9
253.05045	0.7
255.06480	87.6
256.06845	3.2
262.35141	0.3
267.15808	1.0
268.07092	0.4
269.04388	0.8
269.08041	1.1
270.05222	0.6
281.07913	0.5
283.05969	37.6
284.06702	9.1
285.07526	17.5
286.07968	0.6
295.06079	0.8
299.05298	0.5
301.16028	0.3
315.04602	0.5
317.06540	0.6
325.06955	1.2
325.10339	0.4
329.10126	0.6
331.08224	0.4
339.08560	0.4
345.09692	0.6
415.04163	0.7
442.10220	0.4
445.09189	0.7
450.09265	0.4
457.25873	0.5
461.12909	0.3
463.14047	2.4
475.13821	15.0
475.26678	1.5
476.14209	1.0
476.27240	1.0
493.14880	100.0
494.15161	5.5
494.27762	0.5
517.79425	0.3
519.09210	0.5
535.15686	0.7
549.13892	0.8
561.14081	0.5
644.11542	0.5
645.12415	0.9
723.17175	3.6
741.18939	8.7
742.19550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01860	6.7
55.05504	22.0
57.03428	16.6
57.07052	4.6
59.04979	2.5
61.02911	5.5
65.03918	3.1
67.05495	53.0
69.03409	3.5
69.07066	15.0
70.03452	5.7
71.01341	1.5
71.04977	6.2
71.08612	1.6
73.02909	2.4
78.07272	1.0
78.98565	1.1
79.05482	45.2
81.03410	10.2
81.07043	54.4
82.07425	1.2
83.01328	8.2
83.04964	10.9
83.08606	16.1
85.02882	9.2
85.06547	1.7
91.03938	1.6
91.04920	2.2
91.05470	27.6
91.06042	1.8
93.07030	53.1
95.04958	10.3
95.08590	42.0
95.09203	2.4
95.70384	1.0
97.02888	5.1
97.06516	4.9
97.10126	6.3
98.20794	2.1
99.04440	1.9
105.07006	17.3
107.04946	7.8
107.08576	33.8
109.06506	6.8
109.10133	18.3
111.04420	2.8
111.08070	2.9
116.44280	0.9
117.07014	9.3
119.08549	16.7
119.70393	0.9
121.06487	4.2
121.10125	21.8
123.08058	7.2
123.11682	6.2
125.05969	1.8
125.09606	4.1
129.06966	3.2
131.08537	12.4
133.10117	10.6
135.08040	2.1
135.11673	23.2
135.40529	1.2
137.09605	1.9
137.13220	1.5
143.08521	1.4
145.10101	20.8
147.08022	2.1
147.11691	6.0
149.13237	7.6
153.12714	3.6
155.08542	1.9
157.10097	2.6
159.11642	5.5
161.13246	4.1
163.11157	22.6
163.14799	3.4
171.11702	1.4
173.09592	2.9
173.13217	5.5
175.14873	1.7
177.16365	1.3
181.12222	4.7
187.14828	3.6
189.11035	1.8
191.10649	4.4
193.12209	1.2
201.16318	1.2
209.11719	6.3
211.13173	1.3
211.83476	1.0
227.12788	13.8
243.21112	5.9
255.72751	1.2
259.20532	2.0
261.22119	20.4
262.22455	1.1
267.15811	2.0
268.16257	1.5
283.15363	100.0
284.15707	3.3
299.23627	5.0
313.27234	1.5
314.27438	1.7
317.24731	4.8
335.25745	97.7
336.26001	5.8
433.31000	2.0
451.31992	3.4
469.33170	2.6
515.37372	1.4
525.36096	5.1
525.43213	1.2
539.47717	1.0
543.36725	72.0
544.36975	5.3
561.37073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2014
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
55.01861	0.2
55.05504	0.4
56.74096	0.1
57.03427	1.1
61.02914	0.4
65.03933	0.6
65.15354	0.1
68.99789	0.4
69.03416	0.6
70.06594	0.2
71.04983	8.6
71.63862	0.2
71.79701	0.1
73.02899	0.2
75.04464	0.3
79.05470	0.1
80.24319	0.1
81.03411	0.8
83.04963	0.8
85.02893	13.9
87.04431	0.2
91.05468	5.1
91.06041	0.3
93.07024	0.1
95.04946	0.2
95.15993	0.1
97.02886	2.2
97.06480	0.2
99.04437	0.2
100.11237	0.1
101.00482	0.1
103.03982	0.2
105.03364	0.2
107.04942	0.4
107.39797	0.1
109.02847	0.9
111.00765	0.7
111.04427	0.7
117.03424	0.2
119.04928	11.7
120.05187	0.2
121.02862	2.6
123.04430	0.2
127.03899	3.7
129.05457	2.3
129.06955	0.2
133.02852	0.4
135.04422	0.2
137.02319	0.8
137.05937	0.2
141.07045	0.2
145.02829	0.5
145.04933	0.6
145.06488	0.2
147.04387	49.3
148.04718	0.7
153.01808	3.2
157.06441	0.3
161.05937	0.2
165.01793	1.8
165.05464	0.9
167.03447	0.3
171.04329	0.3
177.05461	1.1
183.02936	0.8
184.07138	0.1
185.05939	0.5
189.05489	0.2
197.05864	0.2
201.05510	0.2
203.07068	0.2
213.05423	1.2
219.06479	0.2
231.06439	0.7
241.04904	0.6
243.88130	0.1
258.05264	1.0
259.06064	0.3
269.04407	0.3
285.89282	0.1
287.05457	100.0
288.05820	2.4
291.08597	0.5
293.10236	0.3
299.05551	0.7
309.09668	1.3
315.05194	0.2
325.07043	0.2
329.06787	0.2
331.08096	0.3
345.09555	0.2
353.06650	0.2
365.06418	0.3
383.07428	0.2
413.08630	0.3
416.33084	0.1
431.09415	0.2
455.15500	0.3
595.14532	1.1
741.17432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.2
53.04107	0.5
53.94974	0.5
55.01858	2.9
55.05501	13.8
57.03431	9.3
57.07021	1.8
59.04963	0.6
59.05252	0.5
61.02885	1.0
65.03894	2.2
65.04215	0.5
67.05495	39.9
69.03372	1.6
69.07059	12.8
71.04978	2.5
73.02855	1.4
75.28661	0.5
77.03889	0.8
77.43444	0.5
79.05483	34.9
80.05802	0.6
81.03368	1.7
81.07043	45.9
83.04963	2.8
83.08609	10.1
85.02850	1.2
85.06488	1.0
91.03907	0.8
91.05465	14.2
93.07032	50.9
94.07339	0.9
95.04951	8.1
95.08591	52.9
96.08914	0.7
97.02867	4.4
97.06517	3.4
97.10117	2.3
98.20708	1.7
99.04441	3.3
99.08043	0.8
101.58387	0.5
103.05398	1.2
105.06349	0.6
105.07011	11.7
107.04939	6.6
107.08577	33.3
109.06535	2.4
109.10140	11.9
111.04414	1.0
111.08043	1.2
113.05998	0.6
113.09570	0.5
116.66960	0.6
117.07000	9.7
119.07748	0.8
119.08562	15.0
121.06514	3.4
121.10134	18.9
123.08022	1.1
123.11696	3.0
125.05928	2.1
129.06935	1.1
130.07713	1.2
131.08542	4.4
133.10115	5.4
135.07997	1.9
135.11673	45.9
136.11964	1.2
137.09601	0.7
137.13191	1.0
139.07521	1.1
139.11076	0.5
143.08598	0.7
145.10103	25.3
146.10376	0.7
147.11612	2.2
148.99107	0.5
149.13219	2.7
153.12631	0.8
157.10109	0.5
159.11679	2.6
161.13246	1.4
163.11160	49.8
163.14740	1.8
164.11557	0.7
173.09564	0.9
173.13136	1.5
175.14839	0.7
181.12209	8.4
187.14696	0.7
209.11722	1.5
227.12755	59.7
228.13100	1.5
229.90799	0.6
242.25774	0.5
243.21112	2.4
256.22437	0.5
261.22079	6.8
262.22720	0.5
272.77490	0.5
283.15369	45.8
284.15735	0.7
305.03360	0.6
317.24692	1.5
335.25748	100.0
336.26099	4.2
487.58524	0.6
543.36743	72.4
544.37134	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	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01868	4.8
55.05506	16.5
57.03212	0.7
57.03430	8.9
57.07057	2.6
61.02904	1.1
65.03922	2.2
67.05496	49.5
69.03400	2.2
69.06702	0.8
69.07062	16.2
71.04960	3.1
73.02895	1.2
76.51942	0.8
79.05484	44.1
81.03389	3.8
81.07047	44.9
83.04971	4.4
83.08610	12.1
85.02867	1.7
85.06503	1.2
91.03902	0.9
91.04919	1.2
91.05464	16.3
93.07032	64.0
95.04961	9.5
95.08593	63.5
96.08902	1.1
97.02872	4.3
97.06520	4.0
97.10150	1.9
97.92201	0.7
98.21568	1.4
99.04437	4.6
103.05444	1.8
105.07021	14.1
107.04958	9.5
107.08582	40.3
108.08867	1.0
109.06487	2.8
109.10146	11.5
110.87743	0.8
111.04453	1.5
111.08051	2.2
113.05936	0.9
113.09658	0.8
117.07005	12.1
119.07745	0.9
119.08567	15.9
121.06490	6.7
121.10129	23.6
123.08067	0.8
123.11673	2.9
125.05946	3.3
125.09571	0.8
130.07748	2.2
131.08565	5.7
133.10114	7.6
135.08028	2.9
135.11678	57.5
136.12064	1.0
137.13274	0.8
139.07520	1.6
143.08533	1.0
145.10106	34.8
147.11662	2.8
149.13213	2.9
153.12759	1.2
159.11676	2.4
161.13202	2.0
163.11163	71.6
163.14786	1.7
164.11501	1.0
173.09595	1.5
173.13226	2.5
175.14835	0.7
177.16405	1.1
179.71393	0.7
181.12184	11.1
187.14783	1.5
191.10550	0.8
209.11784	1.2
219.17462	0.7
227.12752	92.0
228.13115	2.9
243.21078	2.4
261.22110	7.7
262.22662	0.8
263.18832	0.7
283.15372	100.0
283.67249	0.8
284.15750	3.3
317.24670	2.8
319.13513	0.7
335.25757	98.5
336.26151	3.4
543.36761	85.0
544.37042	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	740.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89639	0.7
53.03925	1.7
55.01851	2.8
55.05511	6.5
57.03426	4.1
57.07048	1.1
59.04976	1.2
61.02901	2.3
63.02345	1.4
65.03924	1.6
67.05498	22.1
68.05836	0.9
68.99774	2.2
69.03415	4.0
69.07058	4.5
70.06567	1.8
70.21875	3.6
71.01335	1.6
71.04987	9.9
79.05480	12.1
80.66071	0.8
81.02966	1.1
81.03413	20.1
81.07047	33.9
82.03726	1.5
83.04952	2.9
83.08618	7.7
85.02891	1.9
85.06540	3.5
89.03908	7.5
90.04216	1.2
91.05468	16.6
92.01627	0.7
93.07025	11.7
95.04953	10.3
95.08614	6.9
97.02867	4.0
97.06506	3.6
97.10146	3.7
99.04434	0.8
99.08060	0.8
103.05450	0.9
105.07014	10.8
106.59204	0.7
106.91996	0.8
107.04940	7.4
107.08569	8.6
109.02869	7.2
109.06499	6.7
109.10124	6.2
111.04382	1.0
111.08052	2.4
115.05441	1.7
117.03364	25.2
117.06992	4.4
118.03707	5.0
119.08569	6.6
121.06497	6.6
121.10130	6.7
123.04413	1.5
123.08056	2.7
123.11687	4.3
125.09597	4.5
127.03909	2.1
129.01830	1.8
129.07014	6.2
131.04904	1.9
131.08556	7.7
133.06526	1.7
133.10132	8.8
134.03610	2.7
135.04373	2.8
135.08023	3.1
135.11659	2.8
137.05995	3.9
137.09555	1.5
138.06319	0.9
141.06970	1.6
142.07622	0.9
143.08508	2.1
145.02835	64.8
145.06470	2.7
145.10080	3.4
146.03165	20.5
147.04419	1.7
147.08035	1.8
147.11691	4.1
148.05142	3.8
149.05977	9.6
149.09595	3.0
149.13248	2.7
150.06335	1.7
151.11165	3.5
153.06970	0.8
153.09052	0.7
155.04967	0.9
155.08578	1.5
157.06522	2.2
157.10132	3.3
159.08057	1.6
159.11707	3.1
161.05896	1.3
161.09618	0.9
161.13222	0.9
163.03896	1.4
163.07391	0.8
163.11172	2.1
167.07132	0.8
171.08069	1.3
171.11641	1.7
172.05180	0.9
173.06039	1.0
173.13229	2.5
175.07419	1.4
175.11169	2.2
177.05449	97.9
177.12788	1.5
178.05785	30.9
179.03381	1.5
179.05937	1.0
181.08557	2.1
183.04420	0.9
183.11725	1.4
183.13893	0.9
186.05531	2.9
187.05934	1.4
187.07515	2.8
187.11258	1.0
187.13203	1.1
188.07948	1.7
189.05450	1.0
189.11217	1.4
191.03448	0.8
191.14233	2.0
193.12212	3.9
197.05968	1.7
197.13417	0.8
199.07489	1.7
200.04564	0.7
200.07907	0.9
201.05528	1.0
201.12558	0.8
205.12279	1.2
207.13795	0.8
215.06955	4.6
216.07335	1.1
217.08586	1.7
217.15967	0.9
219.13731	3.7
224.11249	0.7
225.05495	1.4
225.09152	0.9
227.12718	1.3
228.04051	0.9
229.08501	1.0
229.14314	1.3
231.06534	1.2
233.08043	3.2
234.08417	2.1
235.13226	0.8
237.14850	0.8
241.08629	1.0
243.06329	4.6
244.06879	2.3
246.08170	0.7
249.14754	0.9
257.08026	2.4
258.08453	1.0
259.17114	0.8
261.07562	26.1
262.07895	15.2
263.08139	1.3
267.15869	8.9
269.17496	1.0
273.18661	0.7
283.06036	0.9
284.06308	1.3
285.07513	5.9
285.16867	1.0
286.07941	3.0
287.05389	3.7
300.06235	1.5
301.06564	1.0
301.20093	3.9
303.08691	5.4
304.08878	3.7
315.05035	1.5
315.08536	11.7
316.08939	10.4
317.09094	0.8
325.21677	1.0
343.22592	5.8
345.09937	1.2
349.23911	0.8
351.23123	1.3
369.24207	3.0
375.17816	0.9
407.09781	2.7
407.26047	1.1
408.10052	2.7
417.26364	3.6
425.10715	6.9
425.27005	1.8
426.11139	4.6
435.27380	13.6
436.27368	1.0
439.26727	1.2
443.27887	9.4
461.28949	100.0
462.29355	7.5
475.30460	1.7
493.31519	5.7
527.44476	0.7
637.35968	0.8
730.49365	0.9
741.20813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11534	0.2
55.05508	0.4
57.03430	1.9
59.04986	0.5
62.80553	0.2
63.02382	0.2
67.05486	0.6
69.03420	10.5
69.07073	0.3
75.04493	0.2
78.04695	0.2
79.05473	0.6
81.03408	1.4
81.07036	0.7
83.04935	0.2
83.08604	0.4
85.02895	4.1
87.04461	3.1
89.03896	3.1
91.05486	0.8
93.07043	0.5
93.37904	0.2
95.04953	0.6
95.08581	0.4
97.02885	3.0
97.06509	0.3
97.10114	0.2
105.07004	0.7
107.04941	0.7
107.08586	0.4
109.06500	0.4
109.10120	0.3
111.78358	0.2
115.03905	2.0
117.03363	9.3
117.07007	0.3
118.04179	0.2
119.04930	0.4
119.08562	0.4
123.08025	0.2
125.09563	0.4
127.03905	2.6
129.06943	0.2
131.04877	0.3
131.08575	0.4
133.04942	1.7
133.06451	0.2
133.10129	0.3
134.03613	0.7
135.04424	1.1
135.08038	0.2
137.05957	0.6
145.02824	34.1
145.10077	0.2
146.03136	0.5
147.04378	0.7
147.11702	0.2
148.04739	0.2
149.05962	4.1
149.09607	0.3
154.02589	0.2
157.10080	0.3
163.03841	0.6
165.09068	0.2
167.07120	0.2
175.03836	0.2
175.11092	0.3
177.05443	100.0
178.05821	1.3
186.05443	1.2
193.12144	0.3
195.06506	5.9
195.08113	0.2
207.06482	0.5
213.09029	0.4
215.06990	0.3
217.08606	0.2
219.06448	0.2
219.13651	0.2
226.06244	0.4
227.12752	0.2
233.04315	0.2
233.08110	0.3
237.05388	0.5
253.04884	0.3
254.05690	0.7
261.07605	0.4
267.15924	0.8
269.08060	11.4
270.08398	0.3
286.37015	0.2
291.08475	0.3
309.09399	0.2
319.91907	0.2
321.09668	5.7
339.10696	11.8
345.09491	0.3
359.64874	0.2
385.23831	0.3
459.27344	1.2
460.27612	1.0
471.14728	0.9
477.28436	1.0
478.28680	0.6
491.29959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.3
53.82996	1.6
55.01862	1.8
55.05507	13.8
57.03419	6.0
66.80067	1.7
67.05139	2.8
67.05498	52.2
69.07062	12.6
69.96853	8.4
71.04954	2.9
73.06521	1.9
76.41210	1.5
79.05482	61.6
81.03401	5.4
81.07048	51.8
83.04961	9.1
83.08608	6.1
85.02905	2.0
85.06520	2.1
91.05470	40.1
93.06438	3.1
93.07031	59.0
95.04947	15.2
95.08595	33.3
95.59737	1.7
97.02844	2.1
97.06512	2.5
99.08080	3.2
104.16952	1.5
105.07020	31.1
107.04935	3.4
107.08575	21.7
109.06482	4.7
109.10136	10.8
116.85017	1.5
117.06992	7.6
119.08574	17.7
121.06494	1.9
121.10117	15.1
123.08015	2.8
129.07010	8.9
131.08530	5.7
133.10133	8.7
133.34785	1.6
135.11642	7.2
139.07489	1.7
140.10721	1.8
143.08522	7.5
145.10109	9.8
147.11646	22.6
159.11636	2.4
161.09575	3.9
161.13263	10.5
171.11670	16.8
189.12669	9.4
207.12030	2.6
207.13795	18.0
225.85651	1.6
229.79836	1.6
261.22095	6.5
281.17450	47.8
317.24692	3.0
335.25757	54.1
336.26184	4.0
374.08044	1.6
541.38867	100.0
542.39056	10.0
558.47217	3.4
559.40167	3.2
576.07001	1.8
606.72272	1.9
640.44574	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	735.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.6
55.01868	26.4
55.05510	31.8
57.03432	13.2
57.07064	3.3
59.04981	2.0
61.02914	7.8
62.28895	1.7
65.03920	5.4
67.05498	78.2
69.03431	14.6
69.06701	2.0
69.07064	30.6
71.04974	8.4
73.02908	5.8
73.06556	1.9
73.87073	1.9
79.05485	100.0
81.03416	27.3
81.07049	84.1
81.44115	1.7
83.04968	20.2
83.08613	13.5
85.02886	14.6
85.06548	4.1
91.03944	2.1
91.05473	89.5
91.06044	4.6
92.05792	3.0
93.07036	90.1
94.04413	1.7
94.07342	2.0
95.04961	30.4
95.08012	2.6
95.08599	41.2
97.02889	13.1
97.06516	31.2
97.10149	10.9
99.08033	2.2
101.02346	2.0
105.07018	83.2
106.07340	3.0
107.04949	23.2
107.08580	42.1
109.02850	4.1
109.06492	14.4
109.10133	16.8
111.04449	2.2
111.08073	4.3
115.05482	3.3
117.07007	22.4
119.04963	3.4
119.07734	3.7
119.08568	56.1
121.06480	8.3
121.10130	17.6
123.08070	9.9
123.11661	3.5
125.09619	8.0
127.03891	6.0
128.06189	5.6
129.05475	2.5
129.06995	24.1
131.04936	1.9
131.08548	25.1
133.06447	4.1
133.10126	37.2
135.08018	8.0
135.11693	10.3
137.09604	5.7
141.07007	3.9
143.08568	16.0
145.06429	4.3
145.10117	26.0
147.08014	5.0
147.11671	42.5
149.09599	14.4
149.13216	5.3
151.11124	3.1
155.08522	6.8
157.10144	9.0
159.08005	2.0
159.11674	13.5
161.09628	6.1
161.13254	15.1
163.11115	10.9
165.12772	2.9
169.10075	4.4
171.08025	2.0
171.11655	29.1
173.04431	7.9
173.09538	2.4
173.13216	6.3
177.12790	5.1
179.14249	3.6
183.11697	3.6
185.13216	3.0
187.11154	4.7
187.13235	2.5
187.14816	2.4
189.11143	6.0
189.12724	12.6
195.11685	2.7
195.13690	2.5
197.13184	3.0
207.13757	25.5
227.12746	29.5
229.14148	2.2
239.17911	3.4
247.20651	2.8
257.18958	11.3
267.15955	3.0
269.17459	2.3
275.20059	59.9
276.20261	2.3
279.15961	2.7
281.17453	62.5
287.16547	2.2
291.19479	3.2
293.21097	4.0
331.22910	3.4
349.23679	29.9
365.35104	2.0
367.25027	2.2
377.23209	4.2
413.21259	2.8
435.27332	2.3
451.26865	4.4
459.30896	6.2
463.32214	2.2
475.30603	18.9
497.32877	2.3
537.35742	4.6
555.36774	38.6
556.37268	5.0
573.37927	12.4
619.34204	5.1
717.41742	3.4
734.13733	2.2
735.41455	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	737.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01870	0.1
55.05495	0.3
57.03425	0.1
61.02914	0.4
64.26676	0.1
65.03938	0.4
66.92239	0.1
67.05498	0.2
68.99458	0.1
68.99787	0.2
69.03413	0.5
69.76661	0.2
69.77070	0.6
70.06578	0.2
73.02861	0.1
81.03414	0.4
83.04971	1.5
83.46227	0.1
84.08138	0.2
85.02895	0.5
91.03951	0.2
91.05476	0.2
93.03387	0.6
95.04975	0.3
97.02879	22.2
97.19540	0.1
98.03217	0.1
99.04445	0.7
101.98532	0.1
105.06993	0.1
107.04990	0.1
109.02869	0.5
109.33120	0.1
111.04427	1.0
115.03923	0.4
115.05421	0.2
117.06949	0.1
117.20841	0.1
121.01964	0.2
121.02848	3.0
123.04422	0.5
127.03915	0.3
129.07042	0.1
129.10245	0.1
134.27991	0.1
135.08073	0.1
137.02315	5.7
137.05962	0.2
138.02698	0.1
139.03868	1.0
139.05452	0.1
145.02835	0.1
145.06566	0.2
147.04395	0.5
149.02328	2.1
150.03107	0.2
151.03891	0.2
153.01770	0.1
155.03426	0.2
157.05113	0.2
157.06480	0.6
161.05939	0.4
163.03917	0.4
165.05415	0.1
167.03395	0.5
167.07040	0.1
169.06670	0.1
175.03822	0.1
175.07550	0.4
177.05414	0.3
179.03355	0.3
185.05952	1.7
189.05461	0.4
191.03345	0.2
197.05951	0.2
199.03900	0.1
203.07043	0.4
205.04930	0.1
207.06581	0.1
212.04578	0.1
213.05441	4.0
216.04178	0.1
217.05008	0.5
229.04961	0.2
231.06454	1.1
235.05948	0.2
241.04907	2.7
253.07004	0.2
258.05240	0.4
259.05966	0.4
269.04343	1.0
275.05469	0.1
287.05450	100.0
288.05768	3.6
289.09186	0.2
331.04419	0.3
332.11548	0.1
332.65372	0.1
365.10245	0.1
395.11334	0.2
411.10117	0.2
425.12192	0.4
449.10852	0.7
520.34344	0.1
598.61957	0.1
599.11511	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	737.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
58.00985	0.2
61.51124	0.2
68.99788	1.1
69.03409	0.2
69.07056	0.9
70.62226	0.6
79.05469	0.7
91.05504	0.3
95.04952	0.3
97.02877	0.3
97.06512	3.9
119.04919	1.1
131.04875	0.4
133.02879	0.2
137.05951	0.3
139.00200	1.0
139.03896	0.4
147.04411	2.1
149.02315	0.8
149.05905	0.2
151.07607	0.2
153.05463	0.4
161.05884	0.2
163.04005	0.4
164.04665	2.4
165.05424	0.8
167.03418	0.2
167.07146	0.2
168.00511	0.5
169.01283	2.5
177.01859	0.3
177.05447	1.1
178.06224	0.3
179.03352	0.2
179.07024	1.5
181.04948	0.2
185.00784	0.9
186.01585	1.0
192.04187	0.3
193.04990	0.2
201.05380	0.2
215.03372	0.4
216.04198	0.5
217.01241	0.5
229.04919	0.4
231.02780	0.3
232.03624	1.3
243.02925	0.2
244.03645	0.4
246.05302	0.4
247.02393	0.4
257.04407	0.5
259.02347	0.3
259.05972	0.2
260.03146	3.4
265.07095	1.2
272.03159	0.7
274.04651	0.6
278.04242	0.8
285.03876	0.8
287.01846	2.9
287.05457	1.4
289.03503	0.6
299.01840	0.3
299.05322	0.4
300.02704	0.5
300.05954	0.4
302.04138	2.6
303.04950	0.4
313.03253	0.4
314.04309	0.3
315.01337	1.2
315.04987	2.1
317.02914	2.4
317.06464	20.9
318.06772	0.7
328.05804	0.4
330.03827	0.3
331.04440	0.5
332.05179	1.7
343.08377	0.2
345.05984	16.6
346.06763	1.4
347.07532	4.8
348.07974	0.2
369.06073	0.3
385.09064	0.3
411.10587	0.4
413.08597	5.6
413.14200	0.3
414.08966	0.3
428.10941	2.1
443.13293	100.0
444.13638	3.7
655.08008	0.2
737.23346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01857	8.7
55.05505	41.9
57.03430	16.5
59.05003	2.3
61.02920	11.5
65.03925	3.9
67.05498	71.1
69.03429	13.5
69.07063	19.2
70.06543	2.6
70.69622	8.6
71.04984	9.3
73.02913	5.3
76.40975	2.6
79.05488	59.0
81.03405	50.9
81.07047	68.4
83.04976	18.2
83.08604	21.4
85.02890	32.3
85.06544	6.7
86.44260	2.2
91.03942	6.8
91.05470	100.0
92.05807	2.9
93.07036	55.8
94.07330	2.9
95.04961	27.4
95.08595	40.5
97.02872	15.3
97.06542	18.2
97.10149	8.6
99.04463	2.9
99.08099	4.7
101.02359	4.3
103.05458	3.6
105.07021	80.7
107.04951	13.8
107.08567	26.1
109.02881	4.5
109.06509	18.7
109.10155	16.4
111.04437	6.4
111.08081	13.2
113.06033	3.0
115.05431	10.6
116.06194	4.0
116.67027	2.4
117.07008	38.6
119.04916	4.6
119.08564	47.8
121.06483	10.7
121.10139	20.7
123.08086	12.8
123.11687	4.4
125.09615	5.8
127.03918	5.5
127.07498	2.3
128.06209	22.2
129.06995	33.6
130.07750	8.7
131.04906	3.7
131.08563	73.2
133.06496	15.4
133.10115	33.6
135.08046	10.4
135.11678	6.6
137.05946	2.9
137.09578	4.9
141.06960	11.3
142.07761	7.1
143.08549	67.9
145.06464	6.9
145.10114	64.2
147.08003	18.0
147.11682	20.1
148.40413	3.0
149.09567	13.8
149.13225	4.0
149.71332	2.4
151.04016	2.7
151.07542	7.7
151.11122	3.2
153.06917	2.7
154.07661	3.0
155.08540	10.8
157.10110	37.8
158.10477	2.5
158.49780	2.3
159.08035	8.4
159.11667	22.2
161.09605	18.8
163.07559	2.7
163.11179	8.1
165.07083	4.4
165.09018	4.2
165.12842	4.1
167.08514	3.9
169.10150	12.9
171.08075	4.4
171.11708	16.0
173.09657	5.8
173.13211	4.3
175.11192	20.9
177.05463	4.2
177.12680	11.2
180.09502	3.4
181.10155	13.3
181.11989	2.2
183.11674	9.0
185.09581	4.1
185.13217	7.4
187.11143	6.9
193.12233	34.5
195.11679	16.8
199.11118	3.0
199.14848	5.2
201.12688	5.6
209.13284	3.6
211.07480	2.8
211.11279	3.6
211.13245	41.5
213.12776	3.9
227.12781	4.6
227.17998	8.5
229.14281	5.8
235.20317	2.5
237.16383	17.5
245.18958	4.7
246.64983	2.4
255.17458	25.7
267.15833	21.4
273.18463	72.3
274.18985	3.1
275.20050	5.4
285.16946	53.6
291.19498	5.7
312.06244	3.0
315.04941	3.6
329.21069	4.6
345.09769	6.1
346.10147	2.7
347.22168	37.8
348.22455	4.0
539.33643	18.2
557.34656	34.1
575.36066	4.7
643.82892	2.7
737.38062	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	737.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01859	8.5
55.05507	35.1
57.03426	12.4
57.07054	2.5
59.05000	3.6
61.02914	26.9
65.03920	4.0
67.05497	69.3
69.03425	18.2
69.07061	19.5
70.05090	8.6
71.01328	2.7
71.04978	15.5
73.02908	12.3
77.03877	2.5
79.05482	55.9
80.09238	2.3
81.03403	18.0
81.07045	63.6
83.04961	7.7
83.08611	20.6
83.50828	1.6
85.02892	22.8
85.06517	7.1
85.67650	1.5
86.41141	1.7
91.03937	12.5
91.04931	3.2
91.05465	47.8
93.07033	55.0
93.56316	1.7
95.04957	11.3
95.08591	42.2
97.02878	22.4
97.06533	8.7
97.10153	23.4
98.21414	1.9
99.04443	3.3
99.08070	3.9
101.02359	2.9
103.05463	3.4
105.07011	43.8
107.04926	6.3
107.08576	33.0
109.02835	4.1
109.06493	8.0
109.10135	23.7
111.04416	3.2
111.08077	6.2
115.03874	2.3
115.05431	4.3
117.07009	29.0
119.08565	35.2
121.06490	4.9
121.10131	25.8
123.08072	8.5
123.11694	5.9
125.09611	18.6
127.03874	5.9
128.06197	5.6
129.05502	1.9
129.06985	22.4
130.07788	3.0
131.08551	43.4
133.06454	2.4
133.10095	27.1
135.08073	8.5
135.11667	8.2
137.09563	2.9
139.11198	2.8
141.06973	8.2
142.07718	5.8
143.08549	23.2
145.04881	2.6
145.06441	3.0
145.10101	31.9
147.08025	6.3
147.11655	14.0
149.09642	8.7
149.13234	4.4
153.06989	2.7
153.09087	2.5
154.07695	3.8
155.08517	13.2
156.09297	3.2
157.10104	29.4
159.08023	4.5
159.11665	23.8
161.09578	7.2
161.13248	5.6
163.11104	4.9
165.12796	2.1
167.08513	7.0
167.10640	2.6
168.09335	3.7
169.10083	18.9
171.11652	24.4
173.09598	6.2
173.11813	3.9
173.13210	19.0
175.07901	2.0
175.11153	4.9
179.08568	2.2
180.09351	2.3
181.10062	10.4
183.11658	18.5
185.09564	4.2
185.13264	11.3
187.11104	5.2
187.14821	5.7
189.11169	8.6
189.12709	3.3
193.10095	6.1
193.12144	2.8
194.10835	2.1
195.11650	15.6
197.13219	14.6
199.11140	3.9
199.14778	8.4
201.12717	2.9
203.14272	2.4
205.10037	2.4
207.11771	3.2
207.13704	1.8
209.13318	8.9
211.14839	7.4
212.94283	2.2
213.12764	3.7
213.16382	4.4
215.14278	3.0
219.11766	3.5
221.13191	3.7
223.14752	7.0
225.12627	2.2
225.16432	3.1
227.12717	15.3
235.14825	3.8
237.16380	3.2
239.18018	2.2
245.13736	1.9
251.18120	2.1
263.18005	2.2
267.15845	2.7
267.21069	1.8
273.18326	5.3
275.20023	5.0
283.20587	7.9
285.18509	2.6
285.22202	2.5
287.19882	3.9
291.19409	3.6
297.21976	2.8
299.20251	3.3
299.23639	10.9
301.21533	5.8
309.21918	2.0
315.23129	2.2
321.21939	2.5
339.23239	2.4
341.24835	2.8
367.26254	2.1
371.26260	2.3
399.36594	2.4
415.29678	7.6
421.25812	4.2
431.27911	3.4
433.31006	23.8
443.27856	6.2
451.32080	17.0
457.29077	2.0
461.28488	3.0
465.33481	2.3
469.32965	6.7
483.34555	3.8
489.32495	2.6
507.34705	13.9
517.35242	34.1
525.35699	82.3
539.37396	2.3
543.36761	100.0
544.36884	4.1
557.38464	24.0
575.39539	35.4
633.37305	2.3
669.39874	3.0
679.40186	5.0
687.40533	6.7
705.41498	5.4
729.90759	2.0
736.70233	2.5
737.43561	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	735.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.3
58.99833	0.4
68.07753	0.3
69.03416	1.5
77.00851	0.9
81.03342	0.3
82.99817	0.3
85.02885	1.5
87.04426	0.6
95.01895	0.4
97.02857	2.0
98.20898	1.4
98.97574	2.6
101.00863	2.4
105.00333	0.6
110.97557	0.7
112.99120	0.4
113.00832	0.7
115.02367	1.1
115.03896	0.3
116.98605	1.7
119.01904	10.1
127.02385	2.9
128.98541	1.2
129.00284	0.4
131.00092	1.0
131.01857	2.7
133.03436	2.9
134.99620	0.6
135.01328	0.6
136.06105	0.8
137.00865	0.5
137.02911	1.7
137.05957	0.5
139.02354	1.1
142.01071	0.4
143.00131	0.6
143.01865	4.1
145.03438	26.1
146.03494	0.7
146.99588	1.3
147.01353	0.7
149.01149	1.1
149.02875	0.7
151.04448	0.4
153.02383	0.4
155.00589	0.4
155.01868	10.1
157.03444	10.8
158.03543	0.4
158.99609	0.6
159.04959	1.3
160.02118	0.3
161.01149	0.8
161.02922	6.0
163.04498	3.9
167.01904	2.6
168.05017	1.0
169.03459	2.7
170.99568	0.8
171.01266	0.4
171.04999	0.5
173.02948	13.1
175.04503	5.2
176.04776	0.3
177.00653	1.1
177.02419	0.8
177.05487	0.3
179.02086	0.6
179.03859	0.3
181.03407	0.9
183.04941	0.8
184.04538	0.4
185.01280	0.6
185.02934	11.7
186.03011	0.4
187.02803	0.5
187.04474	4.3
189.00661	0.7
191.02271	0.4
191.03961	0.8
193.03444	0.5
195.05060	0.3
196.04533	0.5
197.02885	2.2
199.04466	2.0
201.00668	0.5
201.02498	0.3
201.05975	0.5
203.02194	0.6
203.03984	6.8
205.03770	0.5
205.05579	0.6
209.02922	1.1
211.04453	2.2
213.05931	0.4
215.03958	4.1
216.98720	0.3
217.05531	2.3
219.01805	1.5
220.02321	0.3
221.02904	1.0
221.05019	4.9
223.04617	1.1
227.03975	2.5
228.98660	0.3
229.05640	0.6
233.03148	0.5
235.06575	20.0
236.06757	0.6
237.02791	2.9
239.04048	2.1
241.05594	0.9
245.05016	0.8
247.02379	0.3
247.06616	0.4
251.04283	2.9
253.07663	19.3
254.07880	0.7
256.04120	0.3
257.05005	1.5
258.08157	1.5
259.06561	0.8
261.02866	0.5
269.05142	1.6
271.06555	2.0
276.97870	0.3
277.07623	1.3
277.33597	0.4
281.05151	0.9
287.06082	1.9
289.07733	0.9
291.09164	0.8
299.06039	1.3
301.07651	6.1
302.07700	0.4
305.07217	0.6
319.08691	37.7
320.08865	1.2
331.08783	1.9
347.02829	0.4
349.09744	100.0
350.10004	3.7
365.07544	2.4
367.10861	11.9
368.11026	0.4
383.08484	0.9
390.12317	2.4
409.11859	25.1
410.07086	0.3
410.11954	1.3
425.09326	1.4
437.08661	0.3
455.04660	0.3
572.11816	0.7
610.06641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05270	1.9
55.05507	17.5
57.03424	23.4
57.07056	5.6
58.04166	1.4
61.02905	6.7
65.03926	1.9
67.05493	31.2
68.99773	1.6
69.03421	21.5
69.07057	26.5
69.36649	1.6
69.41908	16.1
71.01347	11.1
71.04983	2.3
73.02902	49.6
79.05479	19.3
81.03404	5.3
81.07041	48.1
83.04966	5.1
83.08613	14.0
85.02889	38.4
91.05463	20.7
91.77912	1.5
92.05855	1.9
93.07024	35.0
95.01320	7.5
95.04964	6.4
95.08589	100.0
96.08894	1.8
97.02879	38.4
97.06454	2.5
97.10153	7.6
99.00848	2.5
103.03941	2.4
103.05408	2.2
105.07011	36.9
107.04906	2.5
107.08571	56.3
109.02875	2.5
109.06540	3.6
109.10136	81.6
111.11728	6.3
113.02371	4.2
115.03920	21.2
117.07018	5.0
119.08554	57.1
121.10128	52.0
121.10995	3.3
123.04404	1.7
123.11681	28.9
127.03906	3.0
129.06998	2.4
131.03357	1.5
131.08557	11.1
133.04947	5.1
133.06589	1.8
133.10095	47.6
135.11674	41.7
137.05893	1.9
137.13240	7.5
139.03909	2.0
141.01807	24.6
143.08531	4.2
145.10089	18.2
147.04486	2.2
147.11659	39.8
147.12740	3.2
149.13213	26.7
151.14754	3.3
157.04906	1.9
157.10110	5.9
159.02902	7.0
159.11679	23.3
161.04419	2.6
161.13214	35.3
163.14792	22.8
171.11656	5.6
173.13242	13.0
174.14198	2.3
175.14787	19.1
177.05475	2.8
177.16359	30.6
179.17937	5.5
185.13235	2.2
187.14818	18.2
187.66989	1.8
189.16342	75.1
191.17918	63.8
192.18257	1.8
193.12251	1.8
197.13274	3.0
199.14822	3.0
201.16325	27.7
203.17929	39.8
205.19435	16.8
207.17453	3.9
211.12961	1.7
213.16208	2.0
215.17909	15.1
217.06961	4.1
217.19489	32.0
219.20979	9.2
227.17966	4.5
229.19446	16.7
231.21109	7.1
241.19580	3.4
243.20967	9.5
245.22667	6.4
255.21040	4.3
257.22592	8.8
259.24191	3.6
267.15948	2.1
269.22650	6.2
271.24100	8.5
283.23996	2.2
285.25833	3.0
297.25742	13.4
311.27408	2.4
315.04904	3.2
328.33615	1.6
337.28812	1.9
345.09674	3.2
365.31830	2.5
384.45108	2.1
407.36633	54.4
408.37000	3.7
425.37704	5.7
538.50714	1.7
543.55530	2.1
733.23114	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	733.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.05503	14.8
57.03205	1.9
57.03426	20.6
57.07051	5.1
61.02922	7.5
67.05145	1.9
67.05492	32.9
69.03413	19.4
69.07053	27.7
70.00230	2.3
70.00632	4.8
71.01337	12.5
71.04978	2.6
73.02907	43.5
79.05486	17.8
79.81896	1.4
81.03392	5.9
81.07043	46.8
83.04960	3.6
83.08605	11.5
85.02888	37.2
87.04423	1.8
91.05457	19.2
93.06510	2.4
93.07033	32.5
95.01311	9.0
95.04946	4.4
95.08591	100.0
96.08928	1.5
97.02879	32.9
97.06488	2.9
97.10175	8.2
99.00789	2.3
101.02357	1.7
105.07012	41.5
107.04959	2.9
107.08580	53.2
109.02866	2.5
109.06467	2.5
109.10139	71.5
111.04429	2.7
111.08040	1.5
111.11686	5.4
113.02341	3.4
115.03919	16.6
117.06984	5.3
119.08557	51.3
120.08945	1.8
121.06441	1.5
121.10127	47.3
123.11688	29.6
127.03915	2.8
129.07030	2.8
131.03329	2.4
131.08563	9.5
133.04935	4.2
133.10106	46.4
134.10434	1.6
135.11671	39.1
137.13220	8.2
141.01790	24.6
143.08501	2.5
143.58832	1.4
145.10086	18.1
147.11656	33.4
149.13229	23.3
157.10089	4.6
159.02872	5.2
159.11678	21.3
161.13237	35.2
163.03841	2.5
163.14789	20.9
169.10103	2.5
171.11656	5.8
173.04431	2.8
173.13251	14.7
175.14789	20.4
177.03979	2.3
177.16347	30.8
179.17949	4.1
185.13159	2.5
187.14787	16.0
189.16354	67.3
191.17917	56.9
199.11153	1.6
199.14778	2.3
201.16370	26.4
203.17917	45.7
205.19482	18.5
207.17499	2.8
213.16360	4.7
215.17949	21.1
217.07053	3.5
217.19502	35.4
217.21426	1.2
219.21109	7.6
227.17946	3.1
229.19499	15.0
231.21027	13.5
241.19473	4.1
243.20981	7.9
245.22592	4.4
255.04854	1.8
255.21083	4.7
257.22607	12.3
269.22601	6.7
271.24170	10.5
283.24142	2.5
297.25711	14.5
311.27130	2.7
313.28949	1.7
365.31921	3.2
407.36664	54.2
408.36761	2.9
425.37567	4.1
733.44983	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	733.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01849	1.4
55.05502	16.5
55.71556	1.0
55.73682	1.1
57.03431	19.6
57.07065	4.0
61.02925	5.6
65.03936	3.1
66.24037	1.1
67.05497	27.7
69.03419	18.1
69.07055	27.8
69.35238	2.9
69.35645	9.2
71.01339	11.4
71.08618	1.8
73.02906	51.5
79.05476	13.3
81.03409	3.1
81.07046	41.1
83.04972	1.6
83.08602	13.2
85.02895	33.5
87.04472	1.8
91.05460	15.4
93.07029	37.4
94.73893	1.0
95.01329	7.9
95.04974	1.8
95.08591	100.0
97.02878	36.7
97.10155	7.6
99.00768	2.0
103.03949	2.6
105.07017	38.0
107.08579	58.2
109.06521	2.4
109.10140	69.6
110.10503	2.0
111.11720	5.8
113.02351	4.8
115.03917	16.6
115.05436	1.1
117.07027	3.7
119.08565	56.8
121.10126	49.7
123.00778	1.2
123.11691	28.2
125.02407	1.5
127.03917	2.4
129.06949	1.8
131.03348	1.4
131.08537	10.4
133.04977	3.1
133.10107	43.9
135.11671	36.4
137.13226	10.3
139.03865	2.6
141.01805	23.9
143.08589	2.7
145.10095	20.0
147.11665	39.2
149.13229	25.0
151.11130	1.4
151.14754	1.5
157.04988	1.6
157.10112	4.5
159.02841	6.2
159.11667	19.7
160.12358	1.7
161.13235	28.7
163.04065	1.2
163.14793	18.8
171.11697	2.9
173.13235	14.7
175.14798	21.6
177.03908	1.9
177.16351	30.3
179.14320	1.3
179.17953	3.4
181.04842	1.1
185.13275	2.3
187.14812	20.4
189.16354	74.7
189.25545	1.1
190.16693	1.7
191.17920	57.5
199.14795	2.9
200.15501	1.1
201.16365	27.7
203.17928	42.3
205.19505	18.3
207.17455	2.2
213.16330	3.5
215.17920	16.8
217.07060	5.4
217.19485	36.5
219.21082	8.1
221.19080	1.2
227.17873	4.0
229.19449	17.4
231.21005	13.1
241.19492	3.4
243.21010	7.9
245.22614	6.4
255.04883	1.4
255.21042	4.6
257.22549	8.9
259.24194	1.7
269.22537	4.4
271.24194	7.3
275.84641	1.1
283.24103	3.1
285.25592	1.7
297.25684	13.2
311.27267	2.2
337.28812	1.9
351.30496	2.1
365.31973	2.0
407.36685	57.1
408.36707	2.5
412.81244	1.3
425.37915	5.1
655.28705	1.4
733.41058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
53.33852	2.5
55.01859	10.5
55.05505	27.2
57.03165	3.5
57.03428	38.6
57.07061	5.3
61.02909	5.5
65.03912	7.3
67.05494	100.0
69.03419	21.9
69.07066	19.5
71.01342	7.4
71.04985	5.7
71.58579	2.9
73.02911	27.6
79.05035	4.5
79.05483	67.0
81.03411	33.6
81.07047	72.1
83.04980	13.8
83.08601	14.4
85.02904	26.4
85.06532	16.5
86.08265	2.3
91.05470	65.3
93.07033	66.3
95.01305	6.4
95.04958	95.6
95.08596	69.7
97.02891	28.9
97.06516	10.5
97.10164	7.4
99.04418	4.1
99.08106	2.4
103.03962	3.1
103.05452	4.2
105.07021	50.7
107.04961	18.4
107.08577	48.9
108.54062	2.1
109.02845	5.0
109.06506	64.3
109.10146	37.0
111.04455	3.2
111.08059	5.0
113.06004	29.0
115.03900	10.0
115.05450	5.0
117.06988	24.4
119.08582	49.4
121.06456	11.6
121.10128	34.5
123.04393	2.8
123.08061	9.3
123.11691	13.7
125.02304	2.3
127.03886	6.5
128.06203	7.3
129.06992	23.1
131.08553	34.5
133.06453	7.4
133.10115	35.5
135.08037	41.9
135.11667	30.1
137.09520	4.7
137.13266	4.7
141.01813	9.6
141.06966	5.6
143.08530	20.9
145.06448	8.9
145.10106	27.6
147.08054	9.6
147.11661	30.6
149.09589	5.9
149.13193	11.8
151.11240	2.6
155.08508	3.8
157.06419	2.3
157.10127	11.4
159.08022	5.3
159.11624	19.7
161.09550	8.6
161.13223	23.0
163.03877	2.5
163.11147	5.0
163.14812	10.8
165.06924	2.4
165.12778	4.1
167.08472	3.7
169.10127	6.2
171.08009	4.9
171.11665	16.9
173.04468	9.5
173.13239	9.5
175.11133	3.7
175.14796	10.2
177.12723	4.7
177.16350	18.3
179.08517	2.5
181.10098	4.3
183.11761	3.3
183.39101	2.1
185.09639	3.1
185.13152	6.3
187.11133	5.3
187.14774	10.5
189.12720	4.9
189.16347	33.7
191.14380	2.8
191.17931	32.1
193.10155	2.6
193.12366	3.1
195.11681	5.4
199.14760	6.6
201.12747	3.3
201.16425	11.7
203.17940	16.4
205.19397	7.4
207.13797	7.1
215.17912	9.6
217.06790	2.7
217.15837	10.4
217.19527	15.1
219.20915	3.6
227.17957	5.0
229.19415	5.1
231.21170	5.6
241.14241	2.7
243.20993	4.3
245.22595	3.2
251.14360	2.4
255.17302	3.1
257.18994	3.0
257.22510	3.4
269.22531	3.2
271.24246	3.5
273.18463	51.1
275.20187	4.2
279.15930	8.8
281.17496	13.6
285.65140	2.3
287.16434	5.6
291.19489	82.3
297.25677	3.9
347.22070	13.0
365.23312	11.7
395.18936	4.9
401.81787	2.5
407.36691	23.8
425.21622	9.5
553.35425	15.2
559.15735	2.7
571.36432	22.7
715.39758	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	729.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.3
55.05468	0.4
56.07607	0.2
57.03393	0.2
61.02869	0.3
65.03899	0.2
67.05491	1.4
67.07744	0.3
69.03394	0.2
70.06519	0.7
70.77429	0.7
70.77793	0.3
75.63768	0.2
79.05485	1.1
81.07046	1.3
83.08552	0.3
85.02827	0.8
91.05473	1.3
91.61298	0.2
93.06966	1.0
94.04155	0.3
95.04887	0.7
95.08534	0.7
97.02831	0.6
97.06464	0.6
103.55421	0.3
105.03329	0.4
105.06958	0.9
107.04879	0.8
107.08535	0.5
109.06477	0.4
109.10075	0.4
111.07997	0.3
115.05374	0.5
119.08507	0.5
120.38566	0.2
121.06441	0.4
121.10043	0.6
122.03604	0.6
123.04348	0.8
127.03857	0.4
131.04897	0.4
131.08463	0.6
133.02849	0.2
133.06430	0.2
133.10103	0.3
135.04330	0.3
135.11661	0.3
137.02283	0.3
137.04936	0.3
137.05948	4.8
137.09473	0.2
143.04919	0.3
145.02795	0.5
145.10109	0.4
147.04359	1.1
147.11609	0.5
148.05103	0.4
149.05952	0.6
151.03889	1.8
153.01801	1.8
153.05371	0.4
159.04260	0.2
159.07951	0.3
161.02309	0.4
161.05931	1.0
163.03894	1.6
163.11179	0.3
165.09056	0.5
167.07039	1.5
170.02036	0.7
171.04465	1.1
173.05902	0.4
175.03871	0.6
177.05469	1.6
177.06866	0.4
178.02560	0.5
178.06219	6.2
178.07729	0.5
179.03337	0.6
179.06744	0.4
183.02815	0.3
185.05882	0.6
187.03874	1.1
189.05472	0.4
189.06935	1.5
191.06989	0.6
192.04112	0.6
197.05817	0.5
198.06662	0.2
201.05409	0.5
203.03355	0.5
203.06941	0.3
204.04076	0.4
205.04839	0.5
205.06448	0.8
205.08276	0.3
206.07268	0.3
207.07944	0.4
212.04764	0.2
213.05464	1.3
215.03334	0.7
216.04149	1.6
217.04877	0.9
217.06633	0.5
218.07265	0.3
219.07948	0.3
223.07521	0.4
225.05399	0.3
227.03345	0.6
227.06940	0.5
228.04195	0.3
228.07707	0.3
230.05679	0.3
231.02797	0.4
231.06410	1.4
233.05870	0.6
234.06711	1.5
235.07507	1.7
239.06955	0.3
241.04893	1.7
242.05786	0.3
243.02835	0.9
243.06451	0.9
244.03632	1.2
245.04327	0.3
247.07526	0.5
249.09091	0.9
250.06395	1.4
250.08807	0.4
251.06953	0.5
252.07806	0.4
253.04947	0.4
255.02841	10.2
256.03281	0.7
256.07233	0.8
257.04343	0.6
257.07977	0.4
258.05276	0.4
259.06003	2.4
260.04697	0.2
261.05508	0.4
262.06155	0.7
263.07056	2.1
264.07632	0.5
265.05151	0.3
265.08463	0.4
269.04407	3.5
269.07892	0.6
269.17493	0.3
270.04980	0.5
271.05984	0.5
272.03162	0.7
277.08484	1.7
278.05670	1.7
278.08368	0.3
279.06497	1.4
280.07169	0.5
281.04510	0.7
283.02313	2.9
283.05875	1.0
283.15094	0.5
284.03467	0.4
284.06696	3.4
285.03909	0.5
285.07416	0.5
287.05466	9.8
287.08658	0.5
288.05969	0.5
289.04944	0.3
293.08017	0.9
294.08682	0.4
295.09555	1.0
297.03955	2.8
297.07166	0.3
298.04593	0.6
299.05484	1.8
299.99451	0.4
300.02628	3.7
300.05939	0.3
301.03409	0.3
301.06943	0.6
303.06366	0.4
306.05176	0.6
307.05960	1.0
311.05307	0.6
312.06210	3.1
313.06970	1.9
315.04947	58.3
316.05325	2.7
321.07483	1.5
322.08502	0.3
323.08896	0.3
329.06519	1.6
330.07275	28.9
331.07898	1.4
339.08487	0.5
343.08002	1.5
344.08777	1.2
345.09625	100.0
346.09949	4.8
349.06915	0.5
386.10028	0.8
415.32312	0.3
469.20282	0.7
481.18442	0.3
501.23383	0.7
512.72552	0.3
597.13348	0.2
711.16913	13.6
712.17590	1.2
729.18073	29.7
729.36603	5.2
730.18243	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	11.0
60.42041	2.2
69.03371	5.2
71.61629	3.3
85.02885	6.1
92.42813	2.1
97.02879	8.7
98.97558	19.2
109.02904	2.8
112.11265	2.2
116.98609	11.6
118.01124	7.6
119.01898	11.2
119.04919	2.2
127.03883	2.6
128.98610	3.4
131.01875	9.1
134.99619	5.7
136.06128	4.6
137.05948	25.3
143.01889	6.4
145.03450	7.6
146.99635	6.5
147.04395	8.3
155.01877	7.0
156.02585	3.2
157.03416	2.5
158.99622	5.5
160.02185	5.5
161.02953	13.6
165.58080	3.0
168.02660	4.1
173.02928	14.5
177.00664	5.7
178.01112	3.6
181.03424	5.8
184.02206	3.8
186.03619	2.6
195.04996	16.5
196.02090	11.4
197.02928	5.5
199.04486	6.3
203.03961	6.0
205.03448	3.2
207.05070	2.6
213.06029	4.1
218.04402	2.5
219.01695	7.0
219.04951	30.9
221.02919	3.6
221.04932	19.5
222.03624	6.1
223.04547	7.0
231.05101	7.2
233.06549	2.7
235.04523	5.1
236.05186	6.8
237.02797	13.2
237.06052	33.6
240.04762	3.7
241.05640	2.6
244.04254	100.0
245.04477	3.7
245.06776	2.7
246.03780	7.3
247.04611	11.3
248.05223	2.5
249.06015	10.7
251.04048	4.8
259.04471	8.9
260.07608	3.0
261.06006	16.5
262.05350	16.7
263.03955	4.2
264.04742	20.7
265.05457	9.1
273.06061	3.9
276.04623	3.5
277.05594	3.2
279.07004	22.3
281.04962	5.8
288.04959	3.1
291.07068	7.7
293.05042	8.5
295.04749	4.1
297.08194	3.6
300.04654	3.4
307.06604	19.5
309.08145	3.4
320.07367	4.0
321.08188	20.1
325.07449	3.3
336.06900	9.3
348.06848	65.0
349.07245	8.6
351.09406	3.9
353.07144	12.8
363.09195	18.2
366.07922	11.2
371.08084	9.3
381.10254	62.3
382.10217	3.8
389.09262	9.2
399.11319	88.1
400.11502	6.6
415.09149	7.5
417.12354	16.8
433.10190	3.4
567.15143	4.5
694.97510	2.7
711.19080	5.9
729.20618	51.9
730.20880	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	733.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.0
57.03419	1.1
57.80137	0.7
61.02917	0.9
69.03416	2.0
71.36732	1.9
73.02897	1.3
85.02868	5.0
87.04487	1.0
89.03899	2.1
95.04926	1.1
97.02888	4.0
98.97578	1.8
101.00848	4.7
109.02851	1.2
110.37448	0.7
115.02416	1.1
116.98623	1.8
117.03359	9.0
118.16833	0.7
119.01897	19.9
127.03893	1.9
128.98584	1.3
131.01888	5.9
133.03467	2.0
134.03632	0.8
137.02930	3.0
139.02419	1.0
139.04153	1.2
143.01883	12.3
145.02727	38.2
145.04865	1.6
146.01169	1.0
146.99640	1.3
147.01337	1.3
147.04361	1.2
148.04707	2.6
149.02965	0.9
149.05980	2.8
151.04457	1.3
155.01860	10.1
157.03430	5.3
158.99580	2.3
159.04939	1.1
161.02928	18.0
163.04572	1.9
164.02335	3.0
167.01884	3.9
169.03424	4.4
171.05057	3.9
173.02956	18.5
174.00667	1.0
174.99049	1.2
175.04520	3.0
177.00667	3.1
177.05440	89.0
178.05704	1.2
179.01880	2.0
180.05086	0.9
181.03421	1.3
184.04497	1.0
185.02933	35.6
187.04486	7.9
189.00652	4.7
189.06027	1.2
191.03902	1.6
194.04269	2.7
195.05008	1.0
196.04578	1.6
197.02928	13.5
199.04622	1.3
203.03995	12.6
203.07611	0.9
207.01764	3.8
208.04591	2.0
209.02939	1.5
211.04428	1.6
212.05334	1.4
215.03970	11.6
217.03508	1.9
217.05569	2.4
219.01715	1.7
220.02086	1.0
220.06837	8.7
221.02957	2.0
221.04958	2.4
223.04665	2.2
227.03946	8.1
229.05579	1.2
231.05327	1.6
233.05002	2.4
235.04472	9.2
237.02766	1.4
237.06013	1.3
238.03133	1.6
239.03983	3.2
245.05032	92.4
246.05215	3.3
249.06369	1.5
253.05540	3.6
257.05002	3.4
259.04367	1.9
261.04550	3.2
263.06067	9.0
265.05612	1.0
269.05008	1.2
270.03580	1.7
271.06693	6.2
273.06226	1.0
275.05923	9.7
276.07440	3.2
277.05493	1.2
277.09109	1.1
279.03662	1.0
281.06946	1.9
285.06082	8.5
286.07501	1.9
287.07813	1.2
288.04657	1.3
289.05444	1.9
291.07495	5.8
292.07776	2.7
293.07007	2.4
293.90063	0.9
295.06552	3.3
299.07507	1.0
301.09207	2.6
303.07104	3.3
303.10464	1.1
305.07147	11.0
309.08206	2.7
310.09897	3.5
313.07977	0.9
317.08545	1.7
319.06866	1.5
319.10205	6.0
321.04855	1.3
321.08182	4.0
321.11652	1.7
323.09756	2.2
327.07056	1.3
329.05142	1.7
329.08737	3.9
331.06442	3.9
335.08420	2.7
337.07474	2.6
337.11459	2.4
345.08395	5.0
347.05853	1.7
347.09528	7.9
349.07602	2.8
355.06448	1.8
362.10941	2.9
363.08786	9.2
365.09909	4.9
367.08551	1.2
373.07678	5.3
379.08517	1.1
381.10150	1.4
383.08569	1.6
389.10172	1.2
390.10672	16.0
391.10681	14.5
405.09985	0.9
408.11737	2.3
409.09491	10.4
415.08563	1.9
423.11136	1.6
427.10699	2.7
432.11368	1.1
433.09570	5.6
439.12646	1.2
451.10809	100.0
452.10831	3.9
463.10855	9.0
469.11942	12.0
475.10794	3.8
481.11844	5.3
487.10672	2.3
492.13666	1.2
493.12088	10.0
495.13058	1.6
505.11691	2.8
511.13040	3.3
523.12775	2.0
535.12842	7.6
553.14056	9.8
571.14978	9.8
733.19794	3.5
760.43414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1862
Annotation	Primflaside
Peak:m/z	Relative Intensity
55.01844	0.4
57.03211	0.3
57.03432	3.4
57.26748	0.2
59.04979	0.7
61.02914	1.7
61.24338	0.2
63.81229	0.2
67.05480	0.2
68.99777	0.8
69.03420	10.8
71.01345	0.2
71.38636	0.4
71.38992	0.6
73.02901	0.7
73.23167	0.3
75.04465	0.3
78.52746	0.2
79.05455	0.3
81.03409	1.2
82.83733	0.2
83.01332	0.5
83.04973	0.3
85.02386	0.5
85.02895	7.7
87.03950	0.4
87.04458	5.2
91.03944	0.8
95.04938	0.5
97.02879	8.7
99.04428	0.9
103.03922	0.2
107.04934	0.4
109.02847	0.6
111.00774	0.8
111.04410	0.6
115.03918	7.0
117.05465	0.5
121.02819	0.9
123.04440	0.5
127.03916	1.8
131.03374	0.3
133.04947	7.6
135.04393	0.6
137.02315	3.6
139.03883	1.2
144.97778	0.3
145.04939	0.9
147.04353	0.3
149.02365	0.6
149.04399	0.5
151.03882	0.5
153.01787	3.4
153.02908	0.3
157.04909	1.3
161.04471	0.6
161.05943	0.4
163.03876	1.0
163.06004	0.4
165.01790	1.8
165.05505	0.3
166.02612	0.3
173.05865	0.3
179.03378	0.3
183.02826	0.7
183.04317	0.3
193.05046	0.5
201.05492	1.7
211.05930	0.5
213.05618	0.4
217.06952	0.3
229.04927	3.9
229.07056	2.5
230.05209	0.3
247.05910	0.5
247.08162	0.7
257.04413	2.9
265.09119	0.5
274.04684	0.9
285.03909	1.4
299.05640	0.3
303.04959	100.0
304.05289	3.8
315.04883	2.3
327.04950	0.4
329.06653	0.3
341.06717	0.3
345.05927	3.5
350.09436	0.3
356.19766	0.3
369.06067	1.3
381.05664	0.5
387.07132	0.5
399.07098	0.6
435.09180	3.4
447.09186	0.6
449.32458	0.3
465.10330	2.0
759.77405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12544	0.2
52.59549	0.2
53.03938	0.4
55.05504	0.3
63.02383	0.7
67.05495	0.6
68.99783	0.3
69.03415	1.1
70.12848	0.5
70.13261	0.9
78.04697	0.5
79.05470	0.8
81.03406	0.8
81.07048	0.7
85.02888	1.6
89.03895	6.8
89.04441	0.3
91.05484	1.3
93.07023	0.6
94.04156	0.2
95.04958	1.0
95.08578	0.5
97.02884	0.7
97.06518	0.3
99.04455	0.3
100.42294	0.3
102.14165	0.2
103.05449	0.6
105.03332	0.3
105.07010	0.6
106.04139	0.3
107.04945	0.5
107.08588	0.3
108.05728	0.4
109.06512	1.5
111.07940	0.2
115.05457	0.5
117.03359	20.3
117.07014	0.3
118.03651	0.5
119.08631	0.4
121.06445	0.9
123.04405	7.0
123.08079	0.4
124.05173	0.4
127.03880	0.8
134.03592	1.2
135.04414	1.8
137.05943	1.6
139.07555	0.3
144.37128	0.2
145.02820	51.7
146.03140	0.9
146.36084	0.3
147.04361	0.6
149.05957	11.0
153.09106	0.6
155.07004	0.7
159.04387	0.5
160.05191	0.8
161.05948	0.5
163.03876	0.6
165.09120	1.5
167.07010	12.5
168.07339	0.3
169.06454	0.3
175.07510	0.9
177.05438	100.0
178.05840	1.5
179.06992	1.0
181.08565	3.4
186.05478	1.9
189.05492	0.8
193.08528	1.0
201.05444	0.7
205.04800	0.6
215.07109	0.4
219.06601	1.7
233.07976	0.4
245.08060	0.3
261.07541	0.6
285.07645	0.4
287.05579	0.3
303.08575	0.6
303.12192	9.9
304.12521	0.4
315.04907	0.6
315.12167	0.9
321.09561	0.6
327.11871	0.3
345.09433	0.8
381.13242	0.3
425.10718	1.5
503.16617	1.1
517.87366	0.3
521.17651	0.3
622.32434	0.3
754.95447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.3
55.01867	0.4
55.05521	0.2
59.15265	0.2
61.02919	1.4
63.02391	0.6
65.03928	0.4
67.05502	0.3
68.99776	1.5
69.03414	1.5
69.07056	0.2
69.91945	1.4
71.01360	0.6
74.33186	0.2
78.04718	0.4
79.05494	0.7
81.03411	1.2
81.07032	0.4
85.02881	0.5
87.00818	0.8
89.03899	7.2
89.04449	0.4
91.05476	1.0
93.07063	0.3
95.04948	0.8
97.02895	0.7
103.05458	1.0
105.03413	0.3
105.07011	0.3
106.04152	0.3
106.29714	0.2
109.02860	3.2
109.06498	0.8
109.10151	0.2
115.05466	0.6
117.03363	20.0
117.07021	0.4
119.04893	0.3
121.06537	0.4
123.04411	1.8
127.03925	1.3
128.02002	0.2
128.06186	0.4
129.01819	1.9
129.06976	0.7
129.23204	0.2
131.04860	1.1
131.08517	0.3
134.03603	1.3
135.04391	1.6
137.05960	2.0
141.06950	0.6
143.04883	0.3
144.05643	0.4
145.02826	56.0
146.03113	1.1
147.02861	1.0
147.04355	0.4
148.05049	0.2
149.05956	8.5
151.03868	0.6
153.06946	0.4
155.04881	0.5
155.07008	0.5
156.05690	0.5
157.06424	1.3
158.06010	0.7
159.04424	0.5
160.05206	0.6
161.05916	0.6
162.03203	0.2
163.03867	0.7
163.07492	0.6
165.09084	0.5
167.07021	5.5
168.05614	0.2
169.06490	0.5
171.04367	0.3
171.07994	0.9
172.05174	0.7
173.05978	0.9
174.06721	0.5
175.03870	0.4
175.07541	1.2
175.08780	0.2
176.04619	0.3
177.05441	100.0
178.05779	2.2
179.03317	0.4
181.06448	0.7
181.08528	0.8
181.28477	0.2
183.04399	0.9
184.05251	0.3
185.05843	0.7
186.05447	2.3
187.07477	1.9
188.08267	0.2
189.05452	1.2
191.06963	0.5
193.08565	0.4
195.06497	0.4
197.05971	0.7
198.06721	0.4
199.07507	1.6
200.04678	0.5
201.05440	1.5
203.07005	0.3
205.05067	0.4
205.08612	0.3
209.05878	0.3
211.03784	0.4
211.07396	0.3
213.03798	0.3
214.06201	0.3
215.07013	5.1
216.07602	0.3
217.05107	0.2
217.08551	2.0
219.06464	1.7
225.05434	0.6
228.04088	0.6
229.04836	0.4
229.08569	0.8
231.06473	0.9
233.08072	3.3
241.08476	0.5
242.05814	0.2
243.06500	3.1
245.07951	0.5
253.04883	0.3
257.08096	2.6
261.07553	20.6
262.08002	0.4
285.07523	4.7
286.07950	0.3
287.05469	0.2
303.08484	4.5
303.12109	1.5
303.15060	0.3
304.09134	0.2
315.11951	0.6
321.09537	0.6
327.12265	0.2
345.09708	0.4
367.11780	0.3
389.08542	0.4
407.09702	2.3
425.10724	11.1
426.10944	0.5
427.10498	0.2
503.16605	0.4
727.37769	0.4
734.77380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01859	0.3
55.05500	0.2
55.78431	0.2
57.03446	0.2
61.02919	1.0
61.93546	0.2
63.02375	0.8
65.61143	0.2
67.05474	0.4
68.99778	1.8
69.03420	1.5
70.53870	0.5
71.01346	0.6
73.73282	0.2
77.03905	0.3
77.18188	0.2
78.04722	0.4
79.05486	0.5
81.03405	1.7
81.07037	0.3
83.01331	0.2
83.59624	0.2
83.81774	0.2
84.04589	0.2
85.02892	0.5
87.00806	0.5
89.03902	8.4
90.04240	0.2
90.23082	0.2
91.05459	1.2
93.07046	0.4
94.04177	0.3
95.04948	0.7
97.02871	0.6
99.04445	0.4
103.03843	0.2
103.05447	0.8
105.07015	0.3
106.04152	0.4
107.04959	0.2
107.08612	0.2
109.02863	4.5
109.06495	0.7
109.10111	0.2
111.04475	0.2
115.05434	0.6
117.03358	25.5
118.03696	0.3
119.04903	0.4
119.08599	0.2
121.06468	0.4
122.03643	0.3
123.04415	3.1
124.05169	0.4
127.03914	1.2
128.06204	0.6
129.01816	1.6
129.07010	1.0
131.04900	1.3
133.06439	0.3
134.03593	1.7
135.04381	2.0
137.05956	5.1
141.06967	0.7
143.04942	0.2
143.08542	0.5
144.05695	0.7
145.02823	66.2
146.03113	1.0
147.02855	0.8
147.04405	0.7
149.05957	9.1
150.06296	0.2
151.03845	0.4
151.07481	0.3
153.06967	0.4
155.04892	1.0
156.05699	0.5
157.06451	1.1
158.06020	0.5
159.04391	0.7
160.05209	0.4
161.05930	0.5
163.03847	0.8
163.07532	0.6
165.09108	0.5
167.07004	5.4
168.05688	0.3
169.06343	0.9
171.04427	0.3
171.07994	0.9
172.05141	0.7
173.06012	0.9
174.06766	0.8
175.07527	1.5
177.05438	100.0
178.05772	1.9
179.03468	0.3
179.07027	2.6
181.06462	0.7
181.08517	1.1
183.04430	0.8
184.05142	0.7
185.05948	0.6
186.05450	2.2
187.07503	2.3
189.05424	1.3
189.09003	0.4
191.06969	0.7
193.04948	0.4
193.08556	0.8
193.12331	0.2
195.06544	0.2
197.05940	0.7
199.07504	1.4
200.04645	0.8
201.05424	2.0
201.09047	0.2
202.06259	0.2
203.07030	0.4
205.08565	0.4
207.06419	0.5
211.03859	0.4
211.07507	0.2
213.03905	0.5
214.06216	0.4
215.06992	5.6
217.05049	0.2
217.08539	1.5
219.06467	1.9
221.04387	0.3
225.05453	0.3
228.04042	0.4
228.40143	0.2
229.04948	0.4
229.08611	0.9
231.06577	1.1
233.08043	3.2
239.07004	0.3
241.08545	0.8
242.05705	0.3
243.06497	3.2
245.08075	0.6
253.04892	0.3
257.08041	2.7
261.07547	22.4
262.07910	0.9
267.06500	0.4
270.05313	0.2
273.07385	0.2
275.08929	0.3
285.07526	5.0
291.08673	0.4
303.08539	5.3
303.12186	2.4
315.12173	0.7
321.09644	0.6
327.12357	0.2
349.19366	0.2
367.11319	0.5
389.08582	0.4
407.09650	2.4
408.09967	0.3
425.10703	9.0
426.10782	0.2
435.21857	0.2
461.28821	0.2
503.16589	0.6
727.34955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01871	0.4
60.16956	0.1
61.02918	1.5
63.02353	0.7
65.03941	0.2
67.05489	0.3
68.99781	2.3
69.03417	1.4
69.07074	0.2
69.33114	1.3
71.01338	0.7
77.03930	0.2
78.04695	0.5
79.05482	0.5
81.03398	1.3
81.07047	0.3
85.02887	0.4
87.00799	0.7
89.03900	7.5
91.05450	0.8
93.07018	0.3
94.04166	0.1
95.04946	0.5
96.27713	0.1
97.02865	0.7
98.21468	0.3
99.04426	0.2
103.05444	0.8
105.03368	0.2
105.06998	0.2
106.04149	0.5
107.04999	0.2
107.08578	0.1
109.02862	4.2
109.06500	0.8
109.10136	0.1
115.05450	0.4
117.03362	23.7
117.07001	0.5
118.03701	0.4
119.04926	0.3
121.06493	0.3
123.04416	2.6
124.05190	0.3
127.03901	1.1
127.05393	0.1
128.06216	0.4
129.01817	2.2
129.04419	0.2
129.06987	0.9
131.04897	1.1
131.08528	0.1
133.06532	0.2
134.03615	1.7
135.04419	2.1
137.05965	2.1
139.07559	0.2
141.06915	0.6
143.04939	0.3
143.08531	0.4
144.05711	0.5
145.02823	63.0
146.03145	1.3
147.02861	1.1
147.04378	0.4
149.05956	8.7
150.06354	0.1
151.03882	0.7
153.06995	0.4
153.09027	0.2
155.04918	0.7
155.06953	0.3
156.05685	0.5
157.06490	1.2
158.05975	0.4
159.04379	0.5
160.05135	0.5
161.05925	0.6
162.03140	0.2
163.03853	0.8
163.07549	0.5
165.09082	0.4
167.07019	6.5
168.05708	0.4
168.07309	0.2
169.05185	0.2
169.06398	0.8
171.04366	0.2
171.08047	0.6
172.05200	0.6
173.05940	0.8
174.06795	0.6
175.03922	0.3
175.07501	1.4
177.05440	100.0
178.05786	2.4
179.03363	0.4
179.07137	0.6
181.06471	0.4
181.08568	1.0
183.04372	0.6
184.05194	0.5
185.05937	0.4
186.05446	2.2
187.05942	0.2
187.07506	1.9
188.04498	0.1
189.05435	1.4
189.09091	0.3
191.07053	0.7
193.08554	0.7
195.06487	0.3
197.06000	0.6
198.06680	0.3
199.07518	1.9
200.04620	0.7
201.05450	1.9
202.06232	0.3
203.06993	0.3
205.04898	0.2
205.08600	0.4
207.06480	0.2
209.06013	0.3
209.07851	0.1
211.03918	0.3
211.07500	0.2
213.03947	0.4
213.09077	0.2
214.06230	0.4
215.07001	4.5
216.07301	0.2
217.05008	0.3
217.08571	1.6
218.05688	0.2
219.06487	2.1
225.05383	0.3
226.06264	0.2
227.06952	0.2
228.04128	0.6
228.13615	0.1
229.04950	0.2
229.08644	0.6
231.06523	1.1
233.08055	3.1
239.06966	0.2
241.08632	0.5
242.05811	0.2
243.06494	2.9
245.08113	0.6
253.04883	0.1
257.08066	2.1
258.08331	0.1
261.07541	20.1
262.07892	0.7
267.06430	0.3
270.05112	0.2
275.09036	0.2
285.07541	5.1
286.07788	0.3
292.58209	0.1
303.08545	5.6
303.12170	1.7
304.09003	0.2
315.12241	0.5
321.09674	0.5
327.12210	0.4
339.11884	0.2
345.09647	0.1
367.11578	0.2
369.13361	0.2
381.13010	0.2
389.08618	0.5
397.12192	0.2
407.09689	2.6
411.14380	0.2
425.10733	12.5
426.11108	0.6
503.17099	0.8
521.17865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1857
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
51.30267	0.3
53.03943	0.3
55.05507	0.3
57.03420	1.0
63.90266	0.2
64.84641	0.3
65.03934	1.0
67.05481	0.8
69.03416	2.7
69.07053	0.4
69.53041	1.3
69.53471	1.1
70.06563	0.4
71.04989	0.3
79.05494	0.4
81.03400	0.9
81.07037	0.3
84.08146	0.4
85.02892	3.3
85.05043	0.2
86.09692	0.3
87.04452	0.8
91.05464	7.7
93.07005	0.4
94.54053	0.2
95.04970	0.4
95.08582	0.5
97.02882	4.6
97.06496	0.4
99.83842	0.3
103.05431	0.4
105.07004	0.3
107.04929	0.7
107.08588	0.4
109.02868	0.6
109.06425	0.3
109.10126	0.3
111.04478	0.3
115.03907	0.7
119.04925	19.2
120.05219	0.3
121.02847	1.7
121.10122	0.2
124.07597	0.4
127.03893	0.5
130.18861	0.3
131.04898	1.0
131.08539	0.4
133.04945	0.4
133.06415	0.4
133.10226	0.3
135.08084	0.2
137.02339	0.5
137.05934	0.8
145.02806	0.8
145.04901	0.3
147.04385	100.0
148.04742	1.2
149.09508	0.3
151.03923	0.4
153.01793	2.1
157.06474	0.4
159.04376	0.3
159.08026	0.8
161.05936	0.3
163.07484	0.5
165.01808	0.7
165.05432	1.1
167.03391	0.6
167.07001	0.6
175.07518	0.4
177.05396	1.3
181.04890	0.4
187.07506	0.4
201.05360	0.5
201.08873	0.3
213.05464	0.5
215.06920	0.6
229.05025	0.3
231.06415	0.4
237.09018	0.3
241.04886	0.3
243.06465	0.6
258.05099	0.3
261.07632	0.9
267.60922	0.3
279.08704	0.5
283.05902	0.5
285.07532	0.4
287.05453	38.2
288.05798	1.1
291.08603	0.6
299.05450	1.0
303.04910	2.2
309.09641	5.8
311.05170	0.4
312.05704	0.3
315.04846	0.5
325.07001	0.4
329.06464	2.5
345.09558	1.1
353.06573	0.8
387.25745	0.3
395.07602	0.7
419.09891	0.3
449.10690	0.4
505.98581	0.3
535.12329	0.7
561.52020	0.3
727.16205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2065
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03913	0.2
55.01855	0.4
55.05492	0.7
57.03432	2.8
61.02932	1.3
67.01837	0.2
68.99792	0.4
69.03422	5.5
69.58090	0.9
69.58503	0.6
69.84341	0.2
71.01334	0.4
71.04986	9.2
73.02887	1.0
73.46444	0.2
75.04465	0.6
78.41637	0.2
79.05465	0.2
81.03405	0.4
81.33459	0.2
83.01313	0.4
83.04973	2.0
85.02894	15.6
87.04467	2.5
91.03941	0.7
95.04949	0.4
97.02881	5.9
99.04441	1.0
101.02377	0.2
105.03391	0.4
107.04985	0.4
109.02866	0.6
111.00782	0.6
111.04432	1.7
113.02343	0.2
113.06013	0.3
115.03928	4.6
117.05487	0.4
120.96467	0.2
121.02867	2.2
123.04410	0.4
125.02350	0.2
127.03902	1.0
129.05455	4.4
133.02827	0.4
133.04948	3.5
134.33791	0.2
135.04373	0.4
137.02328	0.5
139.03882	0.5
145.04924	0.7
147.04422	0.4
147.06487	2.2
149.04398	0.3
153.01823	2.8
153.05501	0.2
157.06433	0.3
161.05974	0.2
163.05879	0.3
165.01816	1.3
171.06496	0.9
179.06848	0.2
179.29828	0.2
183.02882	0.8
185.06004	0.3
189.05618	0.3
189.07501	0.3
194.29875	0.2
197.06049	0.2
197.40459	0.2
201.63489	0.2
207.06529	0.4
213.05438	1.3
213.07365	0.3
219.54750	0.2
225.07620	0.9
229.74893	0.2
231.06454	0.8
241.04907	0.7
243.06346	0.2
243.08685	0.9
255.08778	0.3
258.05289	0.9
259.05948	0.3
261.09637	1.3
286.04730	0.2
287.05460	100.0
288.05804	5.0
299.05667	1.2
311.05402	0.3
329.06561	1.4
353.06372	0.9
419.09732	0.5
431.09610	0.5
449.10883	1.9
704.24823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2064
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
51.16344	0.1
53.03939	0.1
55.01848	0.2
55.05482	0.1
57.03431	1.1
59.04994	0.2
61.02915	0.5
65.03941	0.1
66.45802	0.1
69.03423	2.0
69.64253	0.6
69.64658	0.2
71.04986	5.5
73.02895	0.4
73.54291	0.1
75.04451	0.3
81.03411	0.3
83.04964	0.8
85.02892	7.0
87.04455	1.1
91.03919	0.3
93.03375	0.3
95.04961	0.2
97.02260	0.1
97.02876	2.1
98.21399	0.2
99.04443	0.4
109.02866	0.2
111.04418	0.8
115.03920	1.7
117.05478	0.2
121.02850	1.8
123.04427	0.3
125.02309	0.1
127.03899	0.4
129.05475	1.4
133.04933	1.4
137.02319	4.4
139.03842	0.2
141.06892	0.2
143.06987	0.1
145.04947	0.4
147.04390	0.1
147.06503	0.9
149.01125	0.1
149.02312	2.0
150.03078	0.1
157.05046	0.1
157.06470	0.5
161.05864	0.1
163.03865	0.2
163.06012	0.1
167.03372	0.4
171.06525	0.2
175.07559	0.3
179.03410	0.2
185.05980	1.3
189.05450	0.3
203.07037	0.3
207.06366	0.1
213.05452	3.0
216.03914	0.1
217.04858	0.1
223.03981	0.1
225.07539	0.3
231.06453	1.1
241.04913	2.1
243.08647	0.3
246.92288	0.1
258.05289	0.5
259.05942	0.2
261.09552	0.4
269.04364	1.1
270.05334	0.1
287.05453	100.0
288.05804	4.0
299.28036	0.1
412.75671	0.1
449.10760	3.5
450.11005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
61.02929	0.3
65.03928	1.0
67.05493	0.3
67.33953	0.2
68.99779	0.2
69.03416	3.2
70.06583	0.4
71.04961	0.3
71.59457	0.3
79.05478	0.5
81.03409	0.9
81.07034	0.5
83.04945	0.3
85.02894	4.1
87.04439	1.2
91.05466	7.0
93.06992	0.4
93.73882	0.2
95.04947	0.6
97.02876	4.8
97.06469	0.3
99.04424	0.3
103.05494	0.2
105.06993	0.4
107.04945	0.7
107.08541	0.2
109.02868	0.6
109.10120	0.3
111.00789	0.3
111.04432	0.2
115.03915	0.7
119.04922	18.8
120.05276	0.3
121.02855	1.4
121.10112	0.3
123.04440	0.3
127.03881	0.6
131.04915	0.8
133.04950	0.2
137.02324	0.4
137.05971	0.8
137.09602	0.2
145.02853	0.5
145.05014	0.3
147.04382	100.0
148.04707	1.8
149.05914	0.4
149.09692	0.2
151.52782	0.2
153.01796	1.8
159.08038	0.7
163.07500	0.4
165.01814	0.7
165.05479	0.8
167.03395	0.7
167.06973	0.5
175.03923	0.3
177.05420	1.3
177.09071	0.2
183.02902	0.4
185.05910	0.3
193.08507	0.2
201.05508	0.4
213.05417	0.8
215.06995	0.5
231.06609	0.5
241.04861	0.4
243.06654	0.3
258.05225	0.6
261.07480	0.9
279.08551	0.6
287.05444	39.7
288.05710	1.4
291.08621	0.4
299.05481	1.0
300.06320	0.3
303.04968	2.3
309.09613	6.0
311.05420	0.4
315.04672	0.4
323.05414	0.3
325.06940	0.3
329.06543	2.5
329.10455	0.3
330.06845	0.2
345.09790	1.3
353.06552	0.4
371.07962	0.3
371.65277	0.2
383.07599	0.2
395.07520	0.6
431.09717	0.3
535.12567	0.3
595.14264	0.2
727.16351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
61.02929	0.3
65.03928	1.0
67.05493	0.3
67.33953	0.2
68.99779	0.2
69.03416	3.2
70.06583	0.4
71.04961	0.3
71.59457	0.3
79.05478	0.5
81.03409	0.9
81.07034	0.5
83.04945	0.3
85.02894	4.1
87.04439	1.2
91.05466	7.0
93.06992	0.4
93.73882	0.2
95.04947	0.6
97.02876	4.8
97.06469	0.3
99.04424	0.3
103.05494	0.2
105.06993	0.4
107.04945	0.7
107.08541	0.2
109.02868	0.6
109.10120	0.3
111.00789	0.3
111.04432	0.2
115.03915	0.7
119.04922	18.8
120.05276	0.3
121.02855	1.4
121.10112	0.3
123.04440	0.3
127.03881	0.6
131.04915	0.8
133.04950	0.2
137.02324	0.4
137.05971	0.8
137.09602	0.2
145.02853	0.5
145.05014	0.3
147.04382	100.0
148.04707	1.8
149.05914	0.4
149.09692	0.2
151.52782	0.2
153.01796	1.8
159.08038	0.7
163.07500	0.4
165.01814	0.7
165.05479	0.8
167.03395	0.7
167.06973	0.5
175.03923	0.3
177.05420	1.3
177.09071	0.2
183.02902	0.4
185.05910	0.3
193.08507	0.2
201.05508	0.4
213.05417	0.8
215.06995	0.5
231.06609	0.5
241.04861	0.4
243.06654	0.3
258.05225	0.6
261.07480	0.9
279.08551	0.6
287.05444	39.7
288.05710	1.4
291.08621	0.4
299.05481	1.0
300.06320	0.3
303.04968	2.3
309.09613	6.0
311.05420	0.4
315.04672	0.4
323.05414	0.3
325.06940	0.3
329.06543	2.5
329.10455	0.3
330.06845	0.2
345.09790	1.3
353.06552	0.4
371.07962	0.3
371.65277	0.2
383.07599	0.2
395.07520	0.6
431.09717	0.3
535.12567	0.3
595.14264	0.2
727.16351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
57.03402	0.7
58.68151	0.4
61.02890	0.4
65.03880	0.4
67.05463	1.1
68.99771	0.7
69.03423	1.9
70.06556	0.5
71.58498	0.4
72.59516	0.4
79.05453	1.1
81.03387	1.5
81.07015	0.6
83.04957	0.5
84.08083	0.7
84.78851	0.3
85.02883	2.4
87.04423	0.9
91.05446	1.1
93.07015	0.8
95.04909	1.2
95.08584	0.7
97.02870	18.0
97.06501	0.8
103.05449	13.2
105.03340	1.0
105.06966	1.1
107.04928	0.7
109.02846	0.7
109.10117	0.5
111.00774	1.2
111.04414	0.4
115.03895	0.4
115.05379	0.4
117.03308	0.5
117.06921	0.5
119.04938	0.4
119.08501	0.7
121.02837	1.6
123.04367	0.4
127.03887	1.0
128.06171	1.6
131.04903	45.2
132.05235	0.7
133.10059	0.6
137.02321	3.7
137.05907	1.2
140.65015	0.4
141.06953	1.3
143.08527	5.0
145.02769	1.0
145.04927	0.6
145.06316	0.4
147.04330	0.8
149.02307	0.7
149.05905	1.8
151.07512	0.4
153.01797	3.9
153.06941	1.6
155.08543	0.4
161.05840	0.5
163.03842	1.2
165.01855	2.1
165.09113	1.0
167.03355	0.7
167.07005	1.1
169.06448	0.7
173.05974	0.6
177.05463	2.0
178.06252	2.2
181.06413	0.8
183.02884	0.6
187.03801	0.4
192.03947	0.4
199.07474	1.9
201.05429	2.0
209.08151	0.4
219.06503	0.4
227.07076	0.8
229.04910	4.3
230.05702	1.0
241.04935	0.7
245.08035	4.1
247.05989	0.8
255.06464	0.8
257.04355	3.1
258.05154	1.6
263.09094	0.7
269.04401	3.1
271.05798	0.5
273.07492	1.4
274.04599	1.0
283.06094	1.0
285.03873	1.5
285.07358	0.5
286.04654	1.0
287.05457	0.5
293.10150	0.9
294.21689	0.4
295.06079	0.4
297.04047	0.8
297.07230	0.5
299.05426	0.5
301.07047	5.2
303.04941	100.0
304.05280	2.4
311.05505	1.0
313.06976	1.0
314.04202	3.0
314.07324	0.5
315.04910	1.2
315.08331	0.7
326.07758	0.7
327.08545	0.5
329.06503	27.1
330.06998	1.1
343.08084	0.7
344.08829	10.8
345.05920	1.2
345.09689	1.3
359.11191	68.3
360.11469	1.6
369.06198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1859
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
52.93242	0.1
53.03921	0.1
55.01852	0.3
55.05494	0.1
61.02908	0.4
62.86963	0.1
65.03925	1.0
67.05479	0.4
68.99760	0.1
69.03404	0.4
70.06586	0.1
70.27127	0.5
73.02869	0.2
79.05470	0.1
81.03400	0.6
81.03828	0.1
85.02900	0.7
85.06532	0.1
86.09707	0.1
90.05555	0.3
91.03955	0.2
91.05468	1.6
93.03400	0.9
95.04946	0.3
95.64322	0.1
96.47089	0.1
97.02878	10.2
98.02421	0.1
105.03365	0.1
107.04920	0.3
109.02858	0.6
109.50060	0.1
111.04427	0.2
111.44009	0.1
115.05426	0.2
119.04928	3.4
121.02849	2.7
123.04405	0.4
127.03881	0.5
128.06195	0.2
129.06949	0.4
131.04930	0.2
131.08557	0.7
137.02321	5.6
137.05928	0.1
141.06940	0.8
143.08577	0.1
144.05708	0.6
145.06429	0.1
147.04387	13.8
148.04691	0.2
149.02330	2.8
150.02994	0.2
153.01791	0.1
153.06985	0.1
157.06483	0.8
158.07155	0.2
159.08031	3.0
161.05957	0.2
163.03850	0.4
167.02057	0.2
167.03387	2.7
167.04816	0.2
169.06427	1.1
169.07631	0.2
171.08061	0.3
175.07558	0.3
177.05478	0.3
179.03424	0.2
184.09758	0.2
185.05949	2.4
185.07565	0.2
187.07524	1.4
189.05449	0.2
191.03395	0.2
197.05969	1.6
199.03862	0.2
202.10760	0.8
203.07037	0.4
212.04636	0.2
213.05421	3.7
215.06999	1.8
220.11783	0.3
223.03918	0.1
225.05469	0.2
231.06514	1.2
241.04924	2.6
243.06557	0.5
258.05173	0.4
259.05994	0.4
261.07544	4.2
262.08005	0.1
269.04480	1.2
279.08640	0.4
287.05453	100.0
288.05786	2.6
309.09555	0.1
310.12756	0.2
313.16403	0.2
328.13947	0.6
329.13760	0.1
345.09613	0.2
346.15250	0.1
364.15958	1.0
365.16370	0.3
384.51840	0.1
449.10696	0.4
501.77313	0.1
648.89819	0.2
711.63593	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03939	0.5
55.01858	0.2
55.05500	0.6
57.03422	1.0
61.43607	0.2
61.54293	0.2
65.03911	0.2
67.05507	1.0
68.99766	0.2
69.03421	2.9
69.07057	0.4
70.06576	0.3
70.71412	0.5
73.02892	0.2
77.03909	0.4
79.05499	0.3
81.03412	1.3
81.07045	0.7
83.04998	0.3
83.08593	0.4
85.02894	3.0
87.04466	1.3
91.05482	0.9
93.07046	0.5
95.04945	1.1
95.08568	0.2
97.02883	4.9
97.10158	0.5
99.04414	0.3
102.04654	0.3
103.05454	23.7
104.05772	0.4
105.04523	0.3
105.07024	0.4
107.04915	0.3
107.08576	0.7
109.02871	0.6
109.06455	0.2
109.10139	0.5
111.00797	0.6
111.41228	0.2
115.03950	0.9
117.07047	0.2
119.08537	0.5
121.02915	0.4
123.04404	0.2
125.09633	0.3
127.03895	0.8
130.58586	0.2
131.04910	100.0
132.05241	1.6
133.04948	0.4
133.10135	0.3
135.04378	0.2
137.02304	1.7
137.05972	0.3
137.09615	0.3
143.08568	0.8
145.02832	0.4
145.04935	0.6
147.11612	0.3
149.02289	0.3
149.05965	0.8
151.03906	0.2
153.01796	1.7
153.06969	0.3
157.10052	0.3
163.03886	0.6
163.11224	0.2
165.01840	0.8
165.09109	0.8
167.07047	0.2
171.08008	0.2
173.05959	0.3
177.05461	0.7
177.51088	0.2
178.05852	0.2
181.06516	0.2
183.02899	0.5
187.03815	0.2
193.12134	0.3
199.07471	0.3
201.05476	1.0
211.13284	0.2
213.05550	0.2
229.04903	2.0
233.08080	0.3
242.62782	0.3
245.08107	0.7
247.05905	0.4
257.04407	1.2
257.18893	0.2
263.09131	0.4
274.04663	0.4
275.09125	1.0
275.20016	0.4
285.03912	0.7
285.16934	0.3
293.10159	12.9
294.10300	0.2
299.05539	0.3
303.04953	46.8
304.05304	1.6
315.04935	1.1
315.08374	0.3
329.10052	0.2
341.06995	0.2
345.05957	2.7
345.09662	0.4
349.23682	0.8
350.23874	0.4
369.05960	0.7
381.06186	0.3
393.05838	0.3
402.65247	0.2
411.07043	1.3
435.09128	1.2
439.26953	0.2
577.12970	0.3
595.14111	0.3
748.52527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01855	7.4
55.05284	1.6
55.05508	19.4
57.03428	19.6
57.07068	2.8
59.04990	2.8
61.02921	12.5
62.36519	1.6
65.03924	4.0
67.05497	59.1
69.03419	15.1
69.06698	2.0
69.07060	29.6
70.06571	3.6
71.04977	8.2
71.59225	2.1
73.02895	3.6
75.94566	1.4
79.05488	39.8
80.05805	1.5
81.03408	31.5
81.07051	70.2
82.03743	3.6
82.07368	1.8
82.95385	1.5
83.04975	10.5
83.08612	15.9
85.02903	21.6
85.06530	6.3
89.03868	2.2
89.21626	1.7
91.03940	8.8
91.04935	2.6
91.05473	40.7
92.05751	1.9
93.07035	50.7
95.04958	15.8
95.08588	23.2
97.02877	17.3
97.06516	23.6
97.10168	8.4
99.04436	4.4
99.08060	3.8
103.05468	3.8
105.04483	1.6
105.06355	2.5
105.07024	30.9
106.07323	1.6
107.04963	10.8
107.08578	34.8
109.02905	3.9
109.06516	7.9
109.10165	17.1
111.04389	2.5
111.08057	6.9
117.03298	3.5
117.06996	13.0
119.08565	27.9
119.83633	1.5
120.08891	4.3
121.06496	7.0
121.10133	14.9
123.04413	17.1
123.08092	3.4
123.11647	4.5
124.04761	2.7
125.05981	2.1
125.09605	6.7
127.03884	8.2
129.06976	5.7
131.04897	2.7
131.08568	19.0
133.06499	4.1
133.10110	23.2
135.08025	3.7
135.11697	18.5
137.05980	5.0
137.09523	3.5
139.16568	1.7
141.06943	3.4
143.08516	2.9
145.02831	14.6
145.04993	4.1
145.06425	2.6
145.10092	15.8
147.04362	4.7
147.08130	2.5
147.11678	13.2
149.05922	3.0
149.09587	9.8
149.13275	16.6
151.11182	3.5
155.08578	2.4
157.10121	6.6
159.11667	19.6
161.09531	1.9
161.13211	5.3
162.59023	2.0
163.06050	3.8
163.07419	2.0
163.11162	10.2
165.09108	6.0
165.12749	1.8
167.07016	7.4
169.10126	1.7
171.11678	3.2
173.04425	2.6
173.09534	2.4
173.13226	6.4
175.11200	5.2
175.14818	5.7
176.15128	2.6
177.05457	23.4
177.12741	22.3
178.05861	6.0
179.06938	5.7
179.14278	5.8
179.59950	1.8
180.07249	2.2
180.39151	1.9
183.11708	3.6
189.11258	2.3
191.14333	2.6
193.08504	3.9
193.12225	7.8
194.12621	2.0
195.13753	7.1
197.13187	3.1
209.11694	1.8
211.13240	5.1
219.07928	1.7
219.10147	1.9
219.13753	4.7
227.12805	4.0
229.14363	4.7
239.17908	3.1
243.15942	2.4
245.13939	2.1
247.20621	2.4
251.16432	5.0
255.15907	40.3
257.19025	5.6
267.15903	11.5
268.16235	6.3
269.17459	100.0
270.17853	3.4
275.20032	24.5
275.90485	1.8
285.16934	4.0
287.05475	3.2
293.17368	2.4
293.20975	3.2
309.20407	1.6
315.04962	3.9
330.07431	2.4
341.21014	3.0
342.21344	2.2
345.09705	10.0
346.09952	5.3
349.23703	60.4
367.24808	24.6
406.06415	2.4
413.21561	4.4
431.22571	2.5
433.05225	5.2
434.05688	9.6
435.06363	3.0
435.27295	2.8
436.07321	2.4
443.27869	2.5
449.08362	3.0
450.08853	5.1
451.09332	3.3
459.27545	3.9
460.27304	3.3
461.08878	2.1
461.28445	12.5
463.10233	19.0
464.10535	47.2
465.11188	4.9
475.26755	3.4
478.08810	2.0
478.28302	3.2
479.29474	9.8
493.11459	3.2
493.27673	3.6
494.11386	4.8
507.12735	2.7
508.13156	10.5
511.28967	8.7
536.12067	2.6
579.10730	2.4
596.11023	4.1
597.12152	13.4
598.12866	26.3
599.12994	2.0
694.17798	5.2
708.18896	2.6
726.20691	27.1
727.19922	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01868	2.4
55.05505	17.0
57.03423	13.8
67.05497	68.2
67.18906	1.8
69.03428	2.5
69.07059	23.1
70.06963	3.8
70.07365	5.2
71.04968	3.3
77.16835	1.9
77.50928	2.3
79.05487	43.4
81.03424	2.8
81.07048	75.4
83.04961	5.0
83.08599	12.6
85.02905	2.0
85.06525	4.1
91.05472	24.8
93.07037	57.7
95.04949	4.7
95.08597	38.8
97.06532	9.9
97.10155	2.9
98.20777	2.7
99.08098	2.2
105.07024	13.4
107.08586	30.8
107.09258	3.3
109.06518	2.4
109.10144	14.6
111.08076	4.6
117.07014	9.0
119.08560	7.3
121.10142	23.6
123.11697	3.4
131.08549	8.8
133.10126	8.8
135.11716	14.0
137.18018	1.9
145.10115	3.9
147.11667	5.5
149.13245	27.9
157.10094	2.8
159.11702	10.9
161.13289	4.4
177.12798	3.7
195.13805	7.2
211.13463	2.0
228.61348	2.2
243.21082	2.4
261.22107	9.7
269.17447	67.2
306.34656	2.2
335.25748	65.8
336.26099	3.3
529.38867	100.0
530.39124	10.3
547.39252	2.2
618.01990	2.2
726.01263	2.2
726.44324	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	725.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78819	0.7
52.89351	0.7
53.03933	2.9
55.01847	1.8
55.05510	5.1
55.96397	0.9
56.37518	0.7
57.03426	1.4
57.07063	1.6
61.02906	1.0
65.03915	1.4
67.05497	9.0
69.03412	6.2
69.07058	10.7
69.11690	0.8
70.06574	1.9
71.04976	1.7
71.60201	1.0
71.83566	0.8
73.02918	0.8
79.05486	6.2
81.03410	8.0
81.07053	6.9
83.08627	2.2
85.02899	7.2
85.06537	1.3
87.00800	1.8
91.05472	11.5
93.07029	9.3
95.04948	8.0
95.08605	5.1
96.05353	0.8
97.02853	3.5
97.06497	3.0
97.10146	1.0
99.04422	1.9
103.05444	2.1
105.01838	1.4
105.07023	22.5
107.04936	1.9
107.08581	23.9
109.02852	4.1
109.06499	3.4
109.10151	8.4
111.08096	0.9
115.05364	1.0
117.03355	2.4
117.06998	3.2
117.22342	0.9
119.04962	1.4
119.07751	1.9
119.08566	29.2
121.06457	3.6
121.10124	17.0
123.04417	100.0
123.08028	1.9
123.11687	1.2
124.04718	1.9
125.05888	1.0
127.03894	5.6
129.06947	1.7
131.08531	3.0
133.06424	1.1
133.10112	16.5
135.08034	1.5
135.11671	3.7
137.05943	3.3
143.08603	1.2
145.02791	4.7
145.04921	1.4
145.06517	1.5
145.10089	3.4
147.04379	4.4
147.11644	5.5
149.05975	12.8
149.09642	1.1
149.13237	19.9
151.07489	1.8
153.05417	1.8
155.07057	1.3
159.02873	1.3
159.08080	0.9
161.05946	2.6
163.07512	3.8
165.05490	1.5
165.09187	4.2
167.07031	20.4
167.08351	0.7
173.05931	1.1
173.09584	1.0
173.13248	1.9
175.07465	3.5
175.14809	35.7
177.05458	10.3
178.06020	1.2
179.07024	29.9
179.08490	1.0
179.10846	0.9
181.08553	4.4
187.07640	1.1
189.09048	3.0
191.07057	2.0
193.08586	19.9
193.12204	1.8
195.06441	1.0
201.09062	2.2
205.08604	4.4
205.12341	1.1
207.10135	3.5
219.10135	7.7
221.08101	4.2
221.11707	0.9
226.09918	1.7
227.10596	1.3
230.72287	0.9
231.04897	1.0
233.11736	5.2
235.09480	1.0
239.06750	0.9
239.10786	1.0
241.12149	1.2
247.13106	1.0
250.19659	1.0
255.13806	1.0
259.13138	1.5
267.16013	1.0
271.13190	3.2
273.14902	2.1
285.14563	4.2
287.16370	1.2
297.18442	2.0
299.16232	1.7
301.10645	0.8
303.12167	1.2
309.18497	1.2
312.06281	1.1
315.04712	1.0
315.12241	6.7
329.13718	3.3
341.21060	29.7
342.21262	1.8
345.09705	3.7
347.09354	0.9
355.15356	3.5
355.22580	2.4
369.16919	1.1
407.18457	1.1
419.11456	1.4
433.05417	7.2
434.05716	1.8
435.06854	2.6
445.05450	1.5
448.07901	1.4
449.08624	3.1
450.09396	2.4
459.06485	1.1
463.10233	30.1
464.10577	4.3
477.26279	9.2
478.28024	1.8
493.11209	3.0
507.12747	5.7
535.12769	1.3
563.17462	10.7
577.18646	3.4
578.10297	1.5
579.10748	2.5
596.11267	3.2
597.12347	14.7
598.12488	3.3
603.20752	4.5
617.22198	1.9
656.69135	1.0
670.25781	2.1
675.16333	1.4
681.31885	2.0
693.17706	3.0
707.18488	2.4
725.19928	14.7
725.31390	9.8
726.20721	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	725.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
51.59195	0.5
53.03939	4.1
55.01851	2.1
55.05280	0.7
55.05503	9.2
57.03423	3.1
57.07063	3.5
60.64276	0.6
65.03915	2.7
66.04703	1.1
67.05495	36.2
68.99768	1.8
69.03420	13.2
69.07051	7.3
69.28780	5.8
71.04982	3.4
71.08611	1.2
73.02891	1.5
77.03900	0.9
79.05482	33.3
81.02942	1.3
81.03406	22.4
81.07043	35.1
82.03723	0.6
83.04980	3.0
83.08610	4.8
85.02888	9.7
85.06522	1.4
87.99836	0.6
89.15934	0.7
91.05463	21.8
93.07033	31.7
94.04189	1.6
95.04955	9.8
95.08590	26.3
97.02875	12.6
97.06504	0.9
97.10146	1.3
99.04447	3.9
99.08083	1.1
103.03934	0.6
103.05463	3.0
105.03369	0.8
105.04497	1.0
105.06326	1.3
105.07006	15.2
107.04925	2.0
107.08570	13.2
108.05704	2.6
109.02863	8.2
109.06500	13.5
109.10143	10.9
111.04397	1.7
111.08041	1.5
115.05436	1.3
117.06994	6.2
119.08545	9.0
121.06476	10.5
121.10128	14.3
123.04411	68.0
123.08025	1.8
123.11682	3.6
125.05965	1.0
127.03892	5.1
129.05452	1.0
129.06998	2.0
131.08545	8.8
133.06479	1.2
133.10106	7.0
135.04390	2.3
135.08035	2.0
135.11674	9.2
137.05957	11.8
137.09555	1.3
137.13223	0.9
138.06747	1.4
139.07541	3.7
141.06963	0.8
143.08580	1.2
145.04927	1.7
145.10091	7.0
147.04372	1.7
147.11668	6.2
149.05959	30.9
149.09537	1.0
149.13235	4.3
151.07509	1.4
151.11031	0.7
151.14827	0.7
153.09077	5.0
155.06998	6.4
157.10086	1.7
159.11681	5.0
161.05952	1.6
161.13251	4.1
163.07477	1.4
163.11145	0.7
163.14738	1.7
165.05487	3.8
165.09097	2.1
167.07018	100.0
168.07349	1.6
171.11702	1.0
173.05927	1.2
173.09602	0.8
173.13213	3.6
175.07584	1.1
175.14777	1.7
177.05508	0.7
179.06985	7.4
181.08577	25.8
181.09993	1.0
183.11630	1.0
185.13336	1.0
187.14839	1.8
189.05487	1.2
191.06970	7.0
191.14223	0.9
193.08563	11.2
197.13078	0.8
198.12283	0.7
201.16386	1.0
205.08522	3.6
209.08075	11.0
223.09662	2.6
231.02826	0.8
233.08095	1.8
241.19531	0.8
243.21080	2.2
245.04607	0.8
247.09782	1.1
259.09662	1.9
259.20691	1.9
261.22101	8.8
275.09064	7.4
277.21454	0.8
279.23273	0.7
289.10657	4.4
293.10110	1.2
298.11270	0.7
301.10669	1.0
303.12219	47.5
303.23141	1.1
304.12546	0.9
315.12225	11.8
327.11938	3.3
345.13257	9.3
345.17096	1.0
357.13208	0.7
369.13303	2.8
369.24332	1.6
387.25281	1.0
393.13336	1.8
395.14731	1.3
405.26318	0.9
411.14291	7.8
469.19244	0.7
707.41064	0.8
725.42871	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	726.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.7
55.01867	10.6
55.05282	1.9
55.05508	24.9
57.03204	2.1
57.03432	20.2
59.04981	5.7
61.02917	13.9
63.58435	2.1
65.03922	2.4
67.05147	3.4
67.05494	67.7
69.03418	16.0
69.07059	34.9
71.01312	2.3
71.04985	5.6
71.60377	2.2
79.05029	3.0
79.05476	55.4
80.05820	2.6
81.03406	48.0
81.07044	83.7
82.03752	5.1
83.04980	17.3
83.08601	20.0
85.02457	2.4
85.02892	25.3
85.06517	8.3
86.38944	2.0
86.68472	1.8
89.03889	3.5
91.03935	9.4
91.05462	48.0
92.05784	4.1
92.52572	2.1
93.07030	57.3
95.04955	26.0
95.08596	26.6
96.05293	3.7
96.08939	2.4
97.02878	20.8
97.06039	2.1
97.06526	20.4
97.10159	8.7
98.06845	2.1
99.04454	4.2
99.08050	4.3
103.03878	2.3
105.04474	2.1
105.07013	38.4
106.07276	2.4
107.04956	12.7
107.08573	37.5
109.02869	3.4
109.06492	8.4
109.10142	15.4
111.04411	2.7
111.08084	9.4
115.31606	2.2
117.03362	4.4
117.07017	12.6
119.04903	2.8
119.08552	34.7
120.08872	2.8
121.06474	8.9
121.10127	16.4
122.10459	2.2
123.04400	6.8
123.08066	4.3
123.11678	4.3
125.09616	3.8
127.03888	5.5
129.05490	2.3
129.06978	6.7
131.04877	2.3
131.08566	19.8
132.08929	2.2
133.06450	3.5
133.10109	26.7
135.04324	3.3
135.08022	5.7
135.11681	22.8
137.05966	2.8
137.09605	6.2
142.07729	3.8
143.08517	4.6
145.02797	12.6
145.05081	2.1
145.06442	4.8
145.10078	17.0
147.04381	6.7
147.07976	4.0
147.11676	16.1
149.05962	3.1
149.09612	10.7
149.13208	15.1
151.11177	3.3
153.09097	2.9
155.08531	2.3
157.10095	10.1
159.11671	24.3
161.05960	2.0
161.09650	3.2
161.13222	4.6
163.03827	2.2
163.06078	2.8
163.11128	7.6
165.09082	5.0
165.12718	2.0
167.06998	3.6
171.11635	2.8
173.04324	2.2
173.09659	2.0
173.13219	6.5
175.11160	5.0
175.14746	3.1
177.05472	14.8
177.12708	23.6
178.05943	3.5
179.07077	2.5
179.14247	6.6
183.11697	3.0
189.11139	2.8
193.12222	8.0
194.12476	3.2
195.13750	5.4
195.44797	2.1
197.13283	2.4
205.12154	2.3
211.13286	3.8
219.13658	2.3
229.14268	3.7
233.15312	2.2
239.18001	3.5
251.16341	4.7
255.15900	35.3
257.18948	6.4
267.15909	17.2
268.16241	11.4
269.17444	100.0
275.20044	19.1
279.96863	2.1
285.16873	3.1
287.05438	3.4
315.04886	6.1
316.05609	2.4
330.07407	2.4
345.09747	11.6
346.09943	3.6
349.23691	60.6
349.28024	3.2
350.24487	2.2
367.24777	24.0
387.24323	2.9
388.08902	2.0
413.21634	2.9
433.05453	5.1
434.05579	12.4
435.26465	3.9
436.07135	4.1
449.08533	4.7
450.09140	5.3
451.09659	4.1
459.27051	5.2
460.27509	4.2
461.28070	13.1
463.10187	25.0
464.10587	58.3
465.11038	7.9
478.28891	2.9
479.28888	9.3
494.11652	6.3
506.07397	2.9
507.12732	5.6
508.12717	10.0
511.28864	5.4
536.12823	3.4
538.11371	2.3
564.17993	2.5
596.10449	3.3
597.12067	14.2
598.12573	35.7
599.12592	2.8
694.18103	5.2
708.19452	3.4
726.21039	40.5
727.19568	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	725.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46122	1.1
70.06553	0.1
79.96488	0.1
85.02862	0.2
87.00803	0.2
97.02849	0.5
97.06502	0.3
102.22394	0.1
107.04894	0.3
114.84386	0.1
123.04371	0.4
135.04320	0.1
135.19557	0.1
139.07472	0.1
147.04295	0.2
153.01808	1.4
161.02299	0.1
161.05911	0.3
163.03877	0.8
167.07030	0.8
170.02144	0.2
177.05411	0.5
178.02605	0.4
178.06224	3.5
179.03368	0.3
183.02789	0.2
191.03377	0.2
203.03275	0.2
204.04051	0.3
213.05402	0.2
216.04184	1.1
217.04950	0.5
227.03371	0.4
228.04042	0.3
231.02950	0.2
231.06502	0.9
241.04964	0.6
243.06387	0.6
244.03610	0.8
245.04376	0.2
255.02837	7.7
256.03476	0.5
257.04376	0.2
259.05960	1.7
269.04434	2.0
270.05002	0.2
271.05954	0.3
272.03098	0.3
281.04352	0.4
283.02319	1.6
283.05963	0.7
284.03113	0.6
284.06717	0.5
285.03839	0.3
287.05450	7.7
288.05743	0.3
297.03909	2.1
298.04669	0.2
299.05444	1.2
300.02585	2.7
300.05811	0.3
301.03598	0.2
301.07150	0.3
307.68262	0.2
311.05386	0.5
312.06284	1.3
313.06961	1.2
314.04141	0.2
315.04935	42.5
316.05261	1.6
317.06421	0.4
317.09988	0.1
329.06546	1.1
330.07285	18.8
331.07755	1.0
345.09625	100.0
346.09979	3.2
387.21365	0.1
413.12305	0.9
431.13586	0.3
493.62360	0.1
507.14777	0.4
611.67157	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	725.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01861	0.6
55.05499	1.6
57.03416	0.5
61.02908	1.3
63.02378	0.5
67.05493	1.8
68.05811	0.2
68.50580	0.2
68.99778	1.7
69.03418	2.2
69.07056	1.7
69.79818	0.3
69.80220	1.1
71.01349	0.8
71.04970	0.3
72.43340	0.2
78.04684	0.3
79.05469	1.6
80.05792	0.3
81.03404	2.6
81.07040	1.8
83.08611	0.8
85.02878	0.8
85.06497	0.3
87.00809	0.6
88.36961	0.2
89.03900	7.1
89.04452	0.4
90.04227	0.2
91.03938	0.2
91.05453	1.7
93.07016	1.1
95.04971	1.2
95.08576	0.7
97.02869	1.6
97.06544	0.3
97.10148	0.8
98.21339	0.4
99.04424	0.3
103.05450	0.7
105.07011	0.9
106.04156	0.4
107.04945	0.7
107.08584	0.9
109.02857	5.1
109.06473	0.2
109.10082	0.4
115.05460	0.3
117.03356	22.9
117.07005	0.6
118.03697	0.7
119.04936	0.6
119.08568	0.7
120.08929	0.3
120.10066	0.2
121.06475	0.7
121.10119	0.5
123.04387	0.4
123.08064	0.4
124.05225	0.2
125.09613	0.9
127.03879	1.2
128.06226	0.7
129.01823	1.6
129.06985	1.0
131.04886	1.2
131.08528	0.5
133.06451	0.3
133.10107	0.4
134.03563	1.6
134.10474	0.2
135.04401	1.8
135.08043	0.3
135.11581	0.2
137.05980	1.2
139.05399	0.3
141.06955	0.8
143.08499	0.6
144.05656	0.6
144.83192	0.2
145.02817	67.0
145.06500	0.9
145.10107	0.6
146.03142	2.1
147.02815	1.0
147.04401	0.5
147.08043	0.4
148.05136	0.3
149.05952	8.6
149.09665	0.3
151.03889	0.9
151.99890	0.2
153.01817	1.6
153.06950	0.5
155.04887	1.0
156.05666	0.5
157.06468	1.7
157.10033	0.3
158.05948	0.2
159.04346	0.4
161.05913	1.1
162.03064	0.4
163.03905	0.6
163.07510	0.5
165.09074	0.5
167.07076	0.2
168.05666	0.4
169.06453	0.9
171.07976	0.9
172.05168	1.1
173.05957	0.9
174.06764	1.0
175.03903	0.7
175.07550	1.1
175.11139	0.3
177.05434	100.0
178.05788	3.3
179.03418	0.6
179.05946	0.3
181.06461	0.8
183.04378	1.1
184.05109	0.5
185.05942	0.8
186.05423	2.2
187.07521	2.4
189.05431	1.8
189.09099	0.4
189.11200	0.4
191.07014	0.5
193.12169	0.5
195.06511	0.3
197.05981	0.7
198.06648	0.5
199.07547	2.0
200.04613	1.0
201.05457	2.6
202.06107	0.3
203.06923	0.3
205.08623	0.2
207.06554	0.6
209.06015	0.3
211.03893	0.4
211.13333	0.4
213.03793	0.4
213.05553	0.4
214.06165	0.4
215.06973	7.0
216.07381	0.3
217.04791	0.3
217.08543	2.3
218.05409	0.2
219.06447	0.2
223.13263	1.2
224.13597	0.4
225.05457	0.7
226.06134	0.3
228.04123	0.5
229.04918	0.5
229.08621	1.0
231.06490	1.2
233.08037	4.2
241.04839	1.3
241.08560	0.8
242.05771	0.3
243.06482	4.1
245.08028	1.2
250.14903	0.3
253.04953	0.3
255.06268	0.2
257.08005	3.5
258.08273	0.2
261.07538	33.8
262.07870	1.4
263.08008	0.2
267.06561	0.4
267.15918	0.4
270.05228	0.3
273.07620	0.5
273.18433	0.5
285.07529	7.2
285.16785	1.0
286.07870	0.6
291.08655	0.3
291.19482	4.8
292.19803	2.3
299.09137	0.8
300.09534	0.4
301.07001	11.2
302.07376	0.4
303.08569	7.6
304.08942	0.3
321.09650	0.8
345.09543	0.5
365.23169	5.4
366.23438	3.7
389.08600	1.0
407.05072	0.2
407.09680	4.3
425.10703	8.6
426.10855	0.6
430.20908	0.2
433.05490	0.6
463.10162	2.2
477.28168	0.3
493.11227	0.3
507.12604	0.4
596.11450	0.2
597.12177	1.1
725.20953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61799	0.4
55.01626	0.4
55.01880	0.6
55.05509	1.1
57.03425	0.9
61.02908	0.8
63.02368	0.7
65.03931	0.4
67.05489	2.3
68.99791	1.4
69.03405	1.3
69.07060	2.3
69.27594	0.4
69.36279	0.6
69.36678	3.8
71.01350	0.9
71.04978	0.5
71.98015	0.3
74.76000	0.4
75.10255	0.4
78.04680	0.5
79.05492	1.6
81.03409	7.2
81.07055	1.7
83.04977	0.7
83.08607	1.4
85.02897	0.8
85.06538	0.9
87.00816	0.5
89.03899	6.2
91.05453	1.9
92.48539	0.4
93.07050	1.2
95.04961	2.3
95.08591	1.3
95.87975	0.4
96.39830	0.4
97.02882	1.2
97.06519	1.0
97.10148	0.7
98.57445	0.4
103.05457	0.7
105.07008	1.4
106.42501	0.4
107.04958	0.7
107.08578	0.7
109.02859	5.4
109.06527	0.5
109.10130	0.6
111.08078	0.7
117.03357	21.8
117.07070	0.6
119.04960	0.5
119.08549	1.6
121.06504	0.9
121.10139	1.0
123.04404	0.8
125.09629	0.6
127.03896	0.9
128.06236	0.5
129.01805	1.1
129.06985	1.6
131.04880	0.6
131.08542	1.3
134.03592	1.6
135.04405	1.8
137.05946	1.5
141.06967	0.7
143.08490	0.7
145.02824	61.9
146.03145	1.1
147.02884	0.9
147.04314	0.9
147.08136	0.4
147.11688	0.7
149.05945	8.4
151.03874	0.7
153.01775	1.0
153.05505	0.4
153.06865	0.6
155.04950	0.8
156.05673	0.5
157.06494	1.3
157.10118	0.9
161.05920	1.1
163.03867	0.7
163.11081	0.6
165.09090	0.8
168.05675	0.5
169.06471	0.8
171.07964	1.0
172.05145	0.5
173.05983	1.0
173.09648	0.4
174.06746	1.1
175.03912	0.4
175.07600	0.7
175.11147	0.5
177.05444	100.0
178.05830	2.3
179.03349	0.6
181.06529	0.5
183.04353	1.1
185.05962	0.6
186.05429	1.8
187.07480	2.6
189.05428	1.2
189.09097	0.6
191.06926	0.6
193.12233	1.5
197.05959	1.1
198.06757	0.4
199.07516	1.9
200.04630	0.9
201.05371	1.9
201.09019	0.4
205.08377	0.5
211.07420	0.5
211.13284	1.0
213.03830	0.9
214.71671	0.4
215.07016	6.0
217.04906	0.4
217.08553	2.4
219.06461	0.6
225.05440	0.8
228.04114	0.7
229.04816	0.5
229.08646	0.5
231.06522	1.1
233.08022	3.6
241.04945	1.3
242.05708	0.5
243.06503	4.3
245.07932	0.8
257.08069	3.5
261.07553	33.4
262.07779	0.7
267.15851	3.0
268.16107	0.9
269.04346	1.1
285.04636	0.4
285.07541	7.3
285.16687	0.5
286.04712	0.9
301.07001	8.7
303.08612	7.9
315.04926	0.6
321.09680	0.7
345.09558	1.2
367.22412	0.8
385.23416	0.9
386.24078	0.7
389.08466	0.6
403.24487	0.4
407.09729	3.9
425.10773	10.3
433.05359	2.0
435.06668	1.1
448.07764	0.5
449.08231	0.7
450.09247	1.1
459.27255	4.2
460.27676	2.9
463.04144	0.6
463.10196	8.3
464.10611	0.8
477.28409	3.9
478.28549	2.0
493.10342	0.4
507.13028	1.8
535.11951	0.6
579.10498	0.4
596.11340	0.9
597.12311	4.6
608.05627	0.5
693.17749	0.8
707.17889	1.2
725.20947	4.5
725.37073	0.6
750.32697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05505	8.8
57.03429	10.5
61.02887	1.0
67.05494	17.1
67.11652	0.7
69.03411	3.1
69.07053	4.7
71.01310	0.7
71.04986	3.5
71.13611	0.9
71.13950	1.4
77.38142	0.7
79.05479	16.9
79.93035	0.7
81.03406	70.7
81.07042	16.8
83.04961	8.4
83.08605	18.2
85.02890	10.3
85.06519	1.8
89.03899	1.4
91.05465	21.3
92.94086	0.6
93.07030	9.5
93.95586	0.7
95.04956	21.8
95.08607	5.6
97.02880	3.8
97.06519	2.8
97.10152	4.0
99.08054	0.7
105.07011	14.1
106.42451	0.8
107.04928	6.9
107.08589	8.0
108.56645	0.6
109.02864	1.3
109.06516	3.5
109.10136	2.8
111.04427	2.4
111.08045	7.6
113.05973	1.6
115.05471	1.2
117.03380	4.8
117.06986	2.4
119.04922	1.2
119.08562	14.2
121.06457	3.4
121.10136	6.2
123.04382	1.0
123.08047	2.6
123.11710	1.2
125.09595	2.8
129.06985	10.5
129.69980	0.7
131.04903	1.5
131.08553	9.2
133.06497	4.0
133.10123	7.4
134.03548	0.9
135.08009	1.1
135.11694	0.9
137.09557	1.4
141.06821	0.8
142.07736	1.9
143.08516	2.0
145.02832	14.9
145.06468	3.1
145.10106	2.6
147.04361	2.4
147.08029	3.9
147.11668	8.2
149.05949	2.3
149.09598	5.9
155.08516	1.5
157.06444	1.2
157.10103	11.3
159.07967	1.0
163.11143	2.1
165.12730	2.1
166.75742	0.9
169.10098	1.1
171.08006	1.8
173.09700	0.8
173.11752	0.9
175.11148	11.3
177.05432	24.8
182.43166	0.7
185.13287	1.0
189.11218	1.2
193.12209	30.5
195.11592	1.1
197.13182	1.0
201.05449	1.1
203.14301	1.1
211.11267	1.5
211.13232	13.7
215.06949	1.3
217.12215	0.8
227.12682	0.8
229.14296	1.9
233.08105	1.2
233.15530	1.2
237.12767	0.9
243.06516	1.2
249.14865	2.1
255.13947	1.5
261.07578	5.8
265.37604	0.7
267.15875	100.0
268.16235	3.4
273.14755	3.7
285.07401	1.2
285.16931	15.5
301.07104	1.2
303.08493	1.8
315.05185	1.0
339.23187	1.3
345.09607	2.1
349.21518	2.6
367.22632	9.3
385.23688	12.3
403.24649	2.7
405.24124	1.2
415.24765	1.1
425.10699	1.9
429.15430	0.7
430.15479	1.0
433.25787	13.4
441.26447	5.9
459.27356	69.5
460.27826	3.4
463.10159	4.8
477.28427	43.2
478.28745	3.0
491.29340	1.0
501.28403	0.8
507.12857	1.1
519.29596	1.6
585.30438	1.0
597.12073	2.0
621.33362	1.3
652.77655	1.0
725.20300	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.05512	16.7
57.03426	14.1
61.02439	4.0
61.02916	3.4
66.93343	3.5
67.05149	4.0
67.05495	56.7
69.07054	8.4
69.52003	32.5
79.05487	34.2
81.03403	61.1
81.07046	49.5
83.04968	6.6
83.08590	16.1
85.02892	7.3
91.05460	35.1
93.07031	33.5
95.04959	26.1
95.08588	34.8
97.02818	5.6
97.06527	4.7
97.10161	4.4
98.20779	8.3
100.01947	3.6
104.34968	3.4
105.07024	16.9
107.04922	6.1
107.08583	18.2
109.06496	6.4
109.10110	18.7
111.08048	7.7
117.07021	6.6
119.08543	18.4
121.06503	4.7
121.10123	21.0
121.13309	3.9
123.11700	8.5
126.29865	3.4
129.06984	15.4
131.08530	14.1
133.10092	9.8
135.11633	10.5
137.09590	4.0
147.11671	7.5
149.09596	5.5
149.13220	8.0
157.10089	8.5
159.11572	4.2
163.14792	4.3
173.13239	5.5
175.11133	7.6
175.14899	3.7
189.11134	4.4
193.12181	26.7
227.12938	3.8
243.21019	4.7
261.22104	18.7
267.15884	100.0
301.24930	5.6
309.17328	4.6
335.21893	7.0
335.25766	93.0
350.68561	3.8
453.33392	6.2
527.37329	41.8
528.37469	4.0
545.38184	15.5
569.38086	7.9
656.88129	4.3
680.64374	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	725.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61799	0.4
55.01626	0.4
55.01880	0.6
55.05509	1.1
57.03425	0.9
61.02908	0.8
63.02368	0.7
65.03931	0.4
67.05489	2.3
68.99791	1.4
69.03405	1.3
69.07060	2.3
69.27594	0.4
69.36279	0.6
69.36678	3.8
71.01350	0.9
71.04978	0.5
71.98015	0.3
74.76000	0.4
75.10255	0.4
78.04680	0.5
79.05492	1.6
81.03409	7.2
81.07055	1.7
83.04977	0.7
83.08607	1.4
85.02897	0.8
85.06538	0.9
87.00816	0.5
89.03899	6.2
91.05453	1.9
92.48539	0.4
93.07050	1.2
95.04961	2.3
95.08591	1.3
95.87975	0.4
96.39830	0.4
97.02882	1.2
97.06519	1.0
97.10148	0.7
98.57445	0.4
103.05457	0.7
105.07008	1.4
106.42501	0.4
107.04958	0.7
107.08578	0.7
109.02859	5.4
109.06527	0.5
109.10130	0.6
111.08078	0.7
117.03357	21.8
117.07070	0.6
119.04960	0.5
119.08549	1.6
121.06504	0.9
121.10139	1.0
123.04404	0.8
125.09629	0.6
127.03896	0.9
128.06236	0.5
129.01805	1.1
129.06985	1.6
131.04880	0.6
131.08542	1.3
134.03592	1.6
135.04405	1.8
137.05946	1.5
141.06967	0.7
143.08490	0.7
145.02824	61.9
146.03145	1.1
147.02884	0.9
147.04314	0.9
147.08136	0.4
147.11688	0.7
149.05945	8.4
151.03874	0.7
153.01775	1.0
153.05505	0.4
153.06865	0.6
155.04950	0.8
156.05673	0.5
157.06494	1.3
157.10118	0.9
161.05920	1.1
163.03867	0.7
163.11081	0.6
165.09090	0.8
168.05675	0.5
169.06471	0.8
171.07964	1.0
172.05145	0.5
173.05983	1.0
173.09648	0.4
174.06746	1.1
175.03912	0.4
175.07600	0.7
175.11147	0.5
177.05444	100.0
178.05830	2.3
179.03349	0.6
181.06529	0.5
183.04353	1.1
185.05962	0.6
186.05429	1.8
187.07480	2.6
189.05428	1.2
189.09097	0.6
191.06926	0.6
193.12233	1.5
197.05959	1.1
198.06757	0.4
199.07516	1.9
200.04630	0.9
201.05371	1.9
201.09019	0.4
205.08377	0.5
211.07420	0.5
211.13284	1.0
213.03830	0.9
214.71671	0.4
215.07016	6.0
217.04906	0.4
217.08553	2.4
219.06461	0.6
225.05440	0.8
228.04114	0.7
229.04816	0.5
229.08646	0.5
231.06522	1.1
233.08022	3.6
241.04945	1.3
242.05708	0.5
243.06503	4.3
245.07932	0.8
257.08069	3.5
261.07553	33.4
262.07779	0.7
267.15851	3.0
268.16107	0.9
269.04346	1.1
285.04636	0.4
285.07541	7.3
285.16687	0.5
286.04712	0.9
301.07001	8.7
303.08612	7.9
315.04926	0.6
321.09680	0.7
345.09558	1.2
367.22412	0.8
385.23416	0.9
386.24078	0.7
389.08466	0.6
403.24487	0.4
407.09729	3.9
425.10773	10.3
433.05359	2.0
435.06668	1.1
448.07764	0.5
449.08231	0.7
450.09247	1.1
459.27255	4.2
460.27676	2.9
463.04144	0.6
463.10196	8.3
464.10611	0.8
477.28409	3.9
478.28549	2.0
493.10342	0.4
507.13028	1.8
535.11951	0.6
579.10498	0.4
596.11340	0.9
597.12311	4.6
608.05627	0.5
693.17749	0.8
707.17889	1.2
725.20947	4.5
725.37073	0.6
750.32697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05274	0.6
55.05503	7.6
57.03429	7.7
57.07058	0.5
59.04971	0.8
61.02911	0.6
65.03922	1.1
67.05494	19.4
69.03410	2.4
69.07059	9.8
70.06571	0.7
70.73135	0.8
70.73477	1.2
71.01354	0.5
71.04987	2.6
73.02856	0.5
79.05479	15.0
80.08335	0.5
81.03405	42.5
81.07043	46.7
83.04964	6.2
83.08171	0.8
83.08611	11.2
83.81522	0.5
85.02878	2.7
85.06545	2.9
87.00794	0.6
89.03912	0.9
91.05466	19.8
93.07037	11.5
95.04957	13.1
95.08594	11.2
97.02892	3.5
97.06506	5.1
97.10143	1.4
97.46607	0.5
99.04425	1.1
99.08060	2.7
101.05980	0.7
103.05418	0.6
105.03341	0.8
105.07013	22.7
107.04939	2.8
107.08578	9.4
109.02872	1.0
109.06501	4.5
109.10133	5.3
111.04424	1.4
111.08073	5.3
113.05978	1.0
115.05432	0.9
115.07552	0.6
117.03349	2.3
117.06993	2.0
119.04906	0.8
119.08562	20.2
121.06498	2.4
121.10130	14.0
123.04402	1.2
123.08051	3.2
123.11684	16.0
125.09579	1.0
127.03874	0.6
127.07507	2.0
129.06999	4.7
131.04942	0.6
131.08554	4.9
133.06462	1.9
133.10094	7.5
135.04492	0.6
135.08032	1.2
135.11665	2.5
137.05946	1.3
137.09572	1.7
137.13237	1.9
139.07545	0.6
141.09087	0.8
142.07759	1.5
143.08449	0.9
145.02831	7.3
145.06544	0.6
145.10083	2.2
147.04387	0.9
147.08002	2.1
147.11661	40.3
149.05919	0.6
149.09590	3.6
149.13231	0.8
151.11131	2.0
157.10103	7.1
159.08005	0.5
159.11693	1.5
161.05959	0.7
161.09601	1.0
161.13245	0.9
163.11162	1.6
163.14647	0.5
165.09085	6.8
165.12732	15.0
171.08009	0.5
171.11728	0.7
173.05826	0.6
175.07428	0.5
175.11157	6.2
177.05444	10.1
178.05925	0.9
181.12209	0.7
183.13852	1.3
191.06992	0.5
191.10768	0.5
193.12209	15.7
203.10773	0.8
205.12155	0.8
209.11682	0.9
211.13229	2.7
215.06929	0.6
223.13197	0.6
229.12323	0.7
229.14227	2.9
231.13860	0.6
233.07967	0.6
243.06544	0.7
249.14746	1.2
253.14249	1.4
261.07639	3.5
267.15872	100.0
268.16339	2.9
269.17285	0.9
271.15323	0.7
273.18552	0.6
283.15573	0.9
285.16910	59.8
286.17236	1.4
291.19476	2.3
301.06897	1.8
303.08743	0.6
309.16974	0.9
315.04752	0.6
345.09705	1.0
365.23123	4.4
377.33197	0.6
385.23782	1.0
403.24673	0.9
425.10828	0.9
433.05447	1.0
440.35773	0.7
441.33371	1.2
449.08621	0.6
451.26852	1.5
454.69974	0.6
458.33487	1.1
459.27344	8.6
463.10349	5.0
469.27664	0.8
477.28406	59.0
478.28720	2.1
495.29187	1.7
507.12958	0.8
509.31342	0.8
519.29529	1.6
527.30103	0.6
597.12158	2.1
725.22034	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	724.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72331	0.6
53.03944	3.2
55.01868	8.1
55.05506	11.2
57.03433	9.7
58.83073	0.7
59.04986	1.3
61.02913	7.1
65.03921	2.0
67.05496	40.3
68.05808	0.7
68.99780	1.1
69.03422	4.8
69.07058	12.4
69.25623	8.3
69.32659	0.6
71.01328	0.7
71.04981	5.7
73.02905	3.6
77.03857	0.7
77.84597	0.6
79.05480	22.4
81.03020	0.8
81.03410	9.8
81.07046	45.1
83.04592	0.8
83.04979	8.1
83.08617	6.1
85.02885	9.6
85.06537	4.4
86.71015	0.6
87.00841	0.8
89.03896	2.7
90.04260	0.7
91.03931	4.4
91.05467	36.3
92.05803	1.2
93.07030	26.7
95.04962	8.9
95.08598	14.7
97.02884	6.4
97.06522	5.5
97.10149	2.6
99.04424	2.4
103.05434	0.9
105.07018	32.0
106.07349	0.9
107.04941	8.1
107.08578	27.3
108.08927	1.0
109.02866	2.5
109.06505	7.4
109.10139	41.1
110.10487	1.1
111.04417	1.5
111.08070	2.4
113.05976	2.6
115.03930	0.7
115.05428	1.4
117.03357	8.1
117.06999	6.3
118.03703	1.8
119.08561	9.1
120.08075	1.4
121.06518	4.6
121.10128	6.4
123.04422	1.3
123.08056	3.1
123.11706	8.2
125.06002	0.7
125.09634	0.9
127.03876	2.3
127.07536	2.1
128.06216	2.0
129.05470	1.6
129.06969	3.0
131.04829	1.4
131.08542	11.0
133.06474	5.1
133.10112	50.1
134.03624	1.0
134.10493	1.2
135.04382	1.0
135.08051	5.5
135.11627	3.8
137.05968	1.2
137.09593	1.9
139.07481	1.9
141.06947	1.3
143.08559	2.4
145.02824	23.0
145.04858	1.5
145.06483	1.3
145.10115	4.3
146.03149	7.1
147.08034	2.8
147.11664	3.8
148.93510	0.8
149.05978	3.2
149.09599	6.8
149.13255	1.0
150.06276	1.0
151.11153	23.0
157.06458	1.2
157.10095	2.4
159.08025	1.6
159.11681	2.9
161.05968	0.8
161.09593	4.3
161.13235	0.8
163.05978	1.4
163.07474	0.9
163.11119	1.7
165.09105	3.9
166.08559	1.4
169.12244	3.7
171.08076	1.3
171.11632	2.5
173.09653	1.1
173.13228	1.1
175.11171	2.3
177.05453	36.6
177.09048	1.8
177.12727	1.3
178.05772	12.7
179.10657	1.4
185.13239	1.4
186.05403	0.8
187.07520	1.0
189.12769	0.8
193.12323	0.8
199.07454	0.9
203.10614	0.9
205.12186	0.8
209.11700	1.2
215.07072	1.6
215.12712	2.4
216.07332	0.8
233.08023	1.5
245.18936	2.9
251.12816	1.2
253.14316	76.4
254.14682	2.5
255.17526	0.9
257.08060	0.8
261.07535	8.5
262.07941	5.8
263.20090	2.5
267.15894	1.9
269.13754	2.0
271.15384	10.9
273.18448	11.4
283.15509	1.1
284.06763	2.1
285.07315	3.5
285.16867	3.5
286.07654	1.7
291.19473	11.5
299.09106	3.8
300.09476	3.4
303.08636	2.7
304.08923	1.8
309.20425	1.5
347.22095	6.6
365.23178	100.0
366.23660	4.3
383.24405	2.1
407.10022	0.7
408.09644	0.8
415.19394	1.0
425.10858	2.3
426.11176	2.3
433.05582	1.3
451.26691	1.5
459.27539	1.3
463.10251	7.1
477.28323	2.6
495.29630	1.0
507.12762	1.7
527.28003	4.0
596.11719	1.0
597.12415	3.3
725.20667	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	724.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18154	0.4
53.03930	0.9
55.01866	2.1
55.05507	7.0
57.03428	2.4
59.04975	0.7
60.05404	0.3
61.02919	3.4
62.88469	0.3
63.02373	0.6
65.03901	0.4
66.68757	0.4
67.05495	10.9
68.99771	1.7
69.03420	6.6
69.06690	0.7
69.07057	10.4
70.40910	0.4
70.41246	1.6
71.01337	0.8
71.04974	1.6
73.02901	0.9
79.05485	9.0
81.03407	7.9
81.07046	10.0
82.03728	0.4
83.04963	2.7
83.08607	5.1
85.02887	4.9
85.06501	0.6
87.00811	0.5
89.03903	5.7
91.03949	2.1
91.05465	7.3
93.07035	7.6
95.01343	0.5
95.04952	4.5
95.08594	4.4
96.05315	0.5
97.02879	7.1
97.06511	1.6
97.10149	5.7
97.68810	0.4
99.04443	0.6
103.05443	1.0
105.07017	6.4
107.04943	3.4
107.08583	6.1
109.02871	5.6
109.06515	2.0
109.10146	4.9
110.03181	0.6
111.04433	0.8
111.08067	1.5
115.05447	0.8
117.03368	22.3
117.06985	3.9
118.03694	1.5
119.04916	1.7
119.08562	4.8
120.08060	0.5
121.06495	2.6
121.10114	2.3
123.04403	0.5
123.08033	1.7
123.11710	0.9
123.24703	0.4
125.09605	4.7
127.03881	2.4
128.06194	1.0
129.01825	1.5
129.07014	2.9
131.04912	3.3
131.08551	4.3
131.31999	0.4
133.06461	2.1
133.10124	4.6
134.03593	1.5
135.04381	1.7
135.08058	1.6
135.11646	1.7
137.05951	1.8
137.09587	1.3
139.05338	0.5
141.06921	1.1
143.08546	1.9
144.05661	0.6
145.02826	66.2
145.06410	1.1
145.10092	2.4
146.03172	6.8
147.02892	1.2
147.04396	1.0
147.08047	2.7
147.11650	1.6
148.05203	2.0
149.05977	8.5
149.09633	1.8
149.13199	0.7
150.06270	0.6
151.03835	0.7
151.11166	1.4
153.01807	1.1
153.06949	0.4
153.09148	0.6
155.04875	0.9
155.08556	0.6
157.06445	1.0
157.10114	1.2
159.04393	0.6
159.08032	0.8
159.11700	1.3
161.05939	1.4
161.09607	1.6
163.03874	0.5
163.06053	0.7
163.07513	0.7
163.11156	1.4
165.09090	1.2
169.06430	0.7
169.12172	0.4
171.08047	1.0
171.10191	0.6
171.11537	0.9
172.05101	0.8
173.05922	1.1
175.03900	1.2
175.07509	1.1
175.11134	1.3
176.04300	0.4
177.05446	100.0
178.05785	11.1
179.03326	0.5
181.12212	0.6
183.04381	0.9
184.05099	0.9
184.07278	0.4
185.02365	0.4
185.05983	0.7
185.13184	0.5
186.05440	2.7
187.07452	2.4
189.05438	1.2
189.09271	0.6
189.11203	2.6
191.06961	0.8
193.12202	3.6
195.13869	0.4
196.76187	0.4
197.05931	0.8
199.07533	1.7
200.04549	0.9
201.05383	1.9
205.04886	0.5
205.12241	0.5
207.06511	1.4
211.03896	0.5
211.07553	0.4
211.13234	1.7
213.03874	0.6
215.06981	6.9
216.07364	1.1
217.04912	0.5
217.08437	1.9
223.13260	8.6
224.13586	0.5
225.05431	0.9
225.35378	0.4
227.12753	2.7
229.04893	0.6
229.08566	0.7
231.06482	1.2
233.08101	4.6
234.08467	0.7
241.04915	1.1
241.08702	0.7
243.06488	4.0
244.06834	0.9
245.08015	1.0
245.13811	0.5
245.19028	0.8
249.14746	1.2
253.04846	0.6
253.14352	1.7
255.17374	0.6
257.08020	3.0
258.08542	0.4
261.07544	34.5
262.07877	5.2
263.20053	0.9
267.06534	1.2
267.15875	2.8
268.06821	0.5
271.15356	0.9
273.18436	5.4
279.23343	0.5
283.05939	0.5
283.15381	0.9
284.06662	1.1
285.07510	7.6
285.16931	7.7
286.07697	0.8
291.19510	42.6
292.19873	1.6
299.09091	9.0
300.09399	8.0
301.06967	7.6
301.09958	0.7
303.05551	0.3
303.08603	8.5
304.08850	1.0
315.04935	0.5
321.09641	0.5
345.09589	0.5
347.22049	2.0
365.23175	70.9
366.23438	2.3
383.24097	0.4
395.88120	0.4
405.24789	0.5
407.09662	4.1
408.10187	0.8
425.10764	8.3
426.11020	1.6
429.21182	1.0
451.26877	0.4
459.27057	1.5
463.10001	2.0
475.26639	0.9
477.27667	2.2
493.11240	0.5
495.29477	0.4
507.12622	0.6
509.27295	1.1
527.28131	2.2
597.11957	1.1
725.19421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.05494	14.2
57.03410	7.2
57.07052	4.1
67.05154	3.9
67.05503	70.8
69.03403	10.9
69.07070	15.6
69.89884	7.0
69.90291	14.2
71.04992	19.9
79.05480	36.2
81.03413	21.7
81.07048	100.0
82.07381	3.9
83.04969	18.0
83.08588	10.2
85.02895	4.9
85.06525	8.5
91.05470	38.0
93.07028	38.7
95.04927	5.5
95.08104	3.0
95.08602	31.5
97.02863	3.7
97.06508	6.1
97.10150	4.2
105.07022	20.1
107.04937	3.9
107.08567	24.9
109.06451	4.1
109.10178	15.7
111.04401	4.4
117.07000	9.0
119.08556	10.5
121.06487	3.2
121.10134	14.5
123.08052	4.2
123.11673	12.6
129.05455	8.0
131.08553	11.2
133.04396	3.3
133.10072	23.1
135.11662	10.8
141.07019	3.5
143.08528	5.2
145.10091	8.8
147.11697	11.6
149.13217	8.6
151.11147	8.1
157.10092	6.3
159.11710	6.7
161.13235	6.0
169.12189	3.0
173.04524	4.6
173.13203	5.0
175.11182	5.2
177.12743	4.7
183.13795	3.8
187.13298	7.3
193.12225	3.6
195.13600	3.0
199.14914	3.3
201.14732	2.9
201.52953	2.9
230.66243	3.2
243.15906	6.5
261.22095	3.6
269.17456	13.4
299.18573	5.0
316.13867	3.4
317.24738	3.8
335.25772	19.0
369.24341	5.7
461.28879	3.7
500.88821	3.6
503.37143	33.7
505.38962	18.0
529.38983	9.6
561.41498	29.8
611.46271	5.1
673.43164	5.9
691.44318	3.4
705.45612	6.5
723.45844	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	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01867	5.4
55.05499	12.4
57.03429	8.0
59.04985	1.1
61.02910	5.9
65.03915	3.1
65.57697	1.1
66.07448	0.9
67.05138	1.8
67.05489	24.8
68.59135	1.0
68.99769	2.6
69.03423	12.3
69.07060	16.8
70.06580	1.1
71.04964	3.4
71.61868	1.7
71.62225	1.3
73.02888	1.6
74.88108	1.0
77.03893	1.6
79.05477	20.4
81.03406	18.4
81.07041	25.6
82.03709	1.6
83.04971	5.1
83.08598	8.2
85.02901	9.1
85.06511	3.5
86.09641	1.5
87.00807	3.0
89.03898	6.0
91.03920	3.6
91.05462	36.2
91.06041	1.9
92.05782	5.8
93.07027	17.1
95.04948	11.6
95.08589	12.5
97.02876	12.5
97.06489	5.2
97.10149	8.9
99.04461	2.1
105.03358	2.0
105.07013	14.3
107.04935	7.1
107.08572	13.2
109.02850	14.3
109.06491	5.0
109.10144	16.5
110.03171	1.2
111.04427	2.1
111.08079	2.7
113.05985	1.4
115.05412	2.7
117.03370	14.6
117.06988	4.0
119.04926	35.3
119.08562	10.7
120.05212	8.6
120.08070	2.2
121.06475	3.4
121.10103	7.1
123.04409	3.1
123.08036	2.9
123.11700	3.7
125.05965	1.3
125.09615	7.2
127.03880	6.1
129.01822	3.4
129.07013	6.2
131.04893	4.7
131.08521	8.0
132.02042	1.2
133.06430	3.8
133.09180	1.4
133.10112	15.1
134.03540	1.8
134.10471	1.3
135.04372	1.5
135.08051	4.4
135.11665	4.5
137.05968	3.0
137.09605	3.8
139.11067	1.3
141.06984	2.6
143.08521	4.2
145.02827	52.6
145.04800	2.6
145.06503	1.6
145.10092	6.7
146.03166	7.1
147.04385	37.3
147.07986	3.2
147.11673	4.9
148.04691	11.0
149.05936	7.9
149.09608	3.1
149.13173	2.4
151.03885	2.4
151.11147	7.2
153.01759	1.9
156.05640	1.6
157.03911	2.5
157.06464	2.2
157.10085	3.0
159.08040	2.2
159.11617	3.1
161.05945	2.7
161.09560	2.3
161.13252	1.1
163.03938	1.9
163.11143	5.6
165.09091	4.4
167.07002	2.0
169.06355	1.7
169.12184	1.7
171.08081	1.4
171.11646	1.5
173.05946	1.6
173.09583	1.7
174.02974	1.3
175.03882	47.0
175.11139	3.0
176.04201	18.8
177.05443	79.6
177.08945	2.3
177.12665	1.5
178.05775	11.3
179.03391	2.3
180.03702	1.4
181.06526	1.4
184.07291	2.4
185.05881	1.9
186.05446	1.6
187.07529	2.6
187.11360	1.2
189.05453	2.0
189.11156	2.9
191.06934	1.7
191.10602	1.7
193.08600	1.4
193.12202	6.5
199.07443	2.0
201.05376	3.3
205.12123	1.9
207.06490	58.6
208.06837	26.2
209.11653	1.6
211.13278	2.5
213.05368	1.2
213.08992	1.7
214.05940	1.3
215.07016	4.0
216.07358	1.4
217.08656	1.9
219.06480	2.7
220.06766	2.5
221.08008	1.5
223.13174	9.3
227.06810	1.2
227.12762	3.9
229.08575	1.5
229.14397	1.6
231.06450	4.2
232.06940	1.4
233.07918	2.3
243.06468	2.0
245.08072	4.0
246.08392	2.5
247.05820	1.7
253.14307	9.0
254.05524	1.8
257.04379	1.3
257.07880	1.8
261.07535	23.7
262.07904	6.0
263.09094	4.2
263.20230	1.5
264.09381	2.5
265.14304	2.2
267.15900	7.8
268.16202	1.3
269.08044	12.0
270.08426	8.4
271.15176	2.4
273.07394	1.5
273.18420	8.5
279.23114	1.9
283.15305	3.1
285.07471	6.4
285.16922	9.6
286.07693	1.2
287.05615	1.6
287.09134	1.8
291.08606	23.9
291.19482	44.5
292.08926	15.0
292.19815	2.8
299.08929	7.5
300.09454	7.2
301.07007	6.2
303.08499	4.7
315.04849	3.2
315.08527	6.5
316.08899	6.9
333.09659	2.5
334.10080	2.6
345.09598	3.9
346.09982	1.8
347.21909	4.2
365.23178	100.0
366.23410	4.1
383.23444	1.5
385.23318	1.3
407.09497	2.2
425.10733	5.2
426.11075	1.6
433.05411	3.7
437.10562	2.1
438.10828	3.5
451.26782	2.0
455.11804	3.4
456.12033	5.3
459.27231	6.7
463.10181	11.2
475.26862	2.4
476.27179	2.2
477.28104	12.6
495.29218	4.5
507.12607	2.1
509.27496	1.9
527.28156	3.2
596.11188	1.6
597.12518	5.9
693.17499	1.2
724.19318	1.6
725.19916	8.7
737.32922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
53.24630	1.6
54.70158	1.6
55.01859	7.4
55.05501	34.2
57.03436	9.9
57.07058	2.5
58.38504	1.8
59.04992	2.0
59.56051	2.0
61.02913	24.3
61.98346	1.6
65.03911	1.8
67.05147	3.9
67.05495	58.2
69.03430	15.3
69.07062	25.4
69.64220	2.1
70.06558	2.6
70.18992	9.3
71.01318	2.2
71.04968	8.6
73.02895	8.5
79.05481	47.0
81.03403	16.0
81.07044	53.2
83.01310	2.3
83.04964	5.9
83.08616	15.9
85.02901	22.3
85.06509	5.7
87.65255	1.7
91.03930	7.3
91.05466	49.0
92.05740	2.7
93.07035	46.2
95.04959	9.4
95.08018	2.9
95.08592	42.2
95.64799	1.9
97.02876	22.2
97.06529	9.8
97.10155	15.3
99.04404	5.0
103.05411	2.1
105.07013	38.2
107.04936	5.9
107.08580	30.4
109.06493	6.5
109.10138	25.2
111.04425	3.1
111.08031	5.9
113.09637	2.2
115.05415	3.0
116.06266	1.8
117.07014	22.9
119.08560	36.1
121.06512	3.0
121.10125	24.1
123.08046	5.4
123.11678	6.5
125.09599	13.1
127.03920	4.5
128.06192	5.8
129.06985	17.6
130.07802	2.2
131.07562	2.1
131.08540	38.3
133.06490	4.7
133.10100	25.3
135.08038	7.0
135.11688	9.8
137.09575	6.1
139.07495	1.8
139.11183	3.7
141.06950	6.2
142.07747	5.9
143.08569	22.3
144.09270	2.4
145.06485	4.0
145.10088	27.3
146.10542	1.8
147.07970	2.3
147.11662	16.7
149.09581	7.1
149.13223	2.8
151.04021	1.9
154.07751	2.1
154.34210	2.2
155.08485	9.5
157.10098	22.9
159.08022	4.2
159.11668	31.2
161.09576	5.2
161.13228	9.7
163.11185	4.7
165.09099	10.5
167.08484	5.1
168.09195	2.0
169.10115	11.1
171.11652	15.6
173.09567	5.5
173.11792	3.6
173.13145	13.7
174.60704	1.9
175.11163	3.7
175.14777	5.8
177.12686	3.3
181.10095	8.0
181.12173	2.0
182.10922	1.9
183.10260	2.6
183.11633	13.4
185.09598	2.2
185.13188	10.5
187.11156	2.2
187.13261	1.8
187.14815	6.6
189.11191	7.3
189.12740	3.4
189.16367	1.8
193.10135	2.4
193.12132	2.5
195.11656	6.6
197.13274	6.8
199.14832	6.5
201.12695	2.8
201.16388	2.1
207.11679	3.8
209.13217	4.6
211.14824	5.5
213.16325	2.6
217.15953	2.8
221.13239	3.9
223.14810	3.8
227.12685	11.0
227.18129	2.7
229.14313	3.8
243.15756	2.0
259.15247	5.3
273.18430	3.4
275.19971	5.3
283.20493	4.5
285.22086	9.0
287.19922	3.3
289.21692	2.7
297.22220	4.6
299.23630	7.0
301.21701	5.7
303.04965	29.4
315.23123	2.6
327.22775	2.5
331.21503	2.0
343.22382	2.8
345.09378	2.6
351.22910	2.6
371.25961	2.3
415.29773	3.8
433.30945	14.6
435.27197	2.1
443.27908	4.3
450.09323	6.5
451.10001	4.4
451.32071	17.0
461.28839	2.7
469.32986	16.0
487.34131	3.3
507.34439	4.8
515.36981	3.1
517.35370	3.7
525.35785	46.1
543.36725	100.0
544.36969	8.3
561.37720	77.3
562.37994	3.2
687.40674	4.3
705.41541	6.9
723.39764	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	723.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03929	3.5
53.56997	0.8
55.01850	2.3
55.05498	7.4
57.03415	2.6
57.07058	1.2
65.03943	1.4
67.05150	1.7
67.05494	25.3
69.03422	7.1
69.07059	7.0
71.04984	2.5
72.01625	0.8
77.03937	1.3
79.05480	21.6
81.03410	13.8
81.07042	21.5
83.04950	3.8
83.08624	4.2
85.02893	4.7
85.06538	1.3
87.04404	0.8
88.37269	0.9
91.05466	25.2
92.05746	0.9
93.07030	23.4
94.04211	1.3
95.04964	10.3
95.08022	1.2
95.08591	15.6
97.02876	4.8
97.06524	2.3
97.10165	1.8
99.04432	1.9
103.05467	1.3
105.06350	1.7
105.07017	20.3
107.04939	4.0
107.08568	10.2
108.05721	2.0
108.46215	1.0
108.67725	0.9
109.02871	2.5
109.06501	13.7
109.10152	6.3
111.04433	2.9
111.08044	1.0
115.05425	1.6
117.07005	9.5
119.04893	1.4
119.08565	14.2
121.06482	6.1
121.10147	9.0
123.04412	80.0
123.08006	1.9
123.11672	2.4
125.06043	1.6
127.03880	2.7
128.06183	1.3
129.05563	1.0
129.06973	5.2
131.08539	13.4
131.77809	0.9
133.06500	1.0
133.10123	11.8
135.04407	2.5
135.08049	2.0
135.11668	6.6
137.05952	10.6
139.07521	3.0
139.11156	1.1
141.06946	1.9
142.07758	1.1
143.08539	5.3
145.06464	1.5
145.10104	9.3
147.04387	21.8
147.05479	1.8
147.08049	1.1
147.11664	7.9
149.05965	16.6
149.09595	1.6
149.13229	3.3
151.07504	2.8
153.05414	1.6
153.09088	1.6
155.07025	6.1
155.08553	2.9
157.10107	4.6
159.08018	1.3
159.11697	6.9
161.05951	2.2
161.09502	1.7
161.13220	3.4
163.03897	2.3
163.07552	1.6
163.11124	1.8
163.14801	1.2
165.05460	2.2
165.09032	1.7
167.07018	100.0
168.07381	1.7
169.08678	1.1
169.10115	2.9
171.11691	4.1
173.13228	4.0
175.11198	1.5
175.14825	1.5
177.05496	1.0
177.12640	1.3
178.06294	1.2
179.07027	9.4
179.08434	2.2
181.08594	11.9
181.10074	1.4
183.11658	2.2
185.09572	1.2
185.13226	2.4
187.14793	1.7
191.07088	2.9
193.08557	5.6
197.13297	1.9
199.14746	1.6
205.08562	1.7
207.10022	1.8
209.08093	3.9
211.14880	1.2
223.09575	1.1
233.08086	1.2
241.19456	1.6
259.20584	6.1
261.22113	2.5
273.22098	1.0
275.09061	3.2
275.20053	1.4
283.05957	3.8
283.15485	1.2
283.20554	1.2
284.06842	0.9
289.10480	1.2
299.09088	18.8
301.10657	28.8
301.21683	2.5
302.11224	1.1
303.12219	17.2
315.12360	5.5
319.23032	1.1
339.23029	1.1
343.11722	3.2
345.13361	3.6
367.22598	1.1
369.24081	1.2
379.25095	1.2
385.23627	3.9
403.24591	4.1
405.26126	1.4
411.14240	1.7
413.21588	1.1
421.25626	3.2
538.25909	1.6
543.36371	1.9
566.25269	2.9
594.24542	3.4
625.26178	4.3
626.26959	3.1
723.37231	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	723.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03933	0.6
55.01862	0.3
65.03936	0.8
66.04705	0.8
67.05484	0.3
69.03410	0.3
71.63475	0.5
79.05466	1.6
81.03384	0.5
81.07038	0.9
83.04898	0.3
91.05466	2.9
93.07002	0.3
94.04168	3.9
94.80286	0.3
95.04951	1.1
95.08592	0.4
97.02871	0.6
103.05457	5.2
105.07025	2.2
107.04928	1.3
107.08574	0.4
109.06498	0.5
115.05441	1.3
117.07001	1.2
119.04924	1.1
119.08549	0.4
121.06468	0.5
122.03632	8.7
123.04382	1.0
128.06192	1.5
129.06999	1.5
131.04907	8.3
131.08539	1.2
131.69125	0.4
133.06480	2.6
135.04370	1.0
135.08047	0.9
136.05151	0.5
137.05957	100.0
138.06303	1.9
141.07008	0.4
143.04878	0.5
143.08557	1.7
144.05666	0.6
145.02832	0.9
145.06451	2.2
147.04382	0.4
147.08018	1.4
149.05972	2.1
151.07530	6.8
157.06491	1.1
159.08051	1.8
160.05154	0.7
161.05939	0.7
163.07521	18.4
165.06990	0.4
165.09122	1.3
167.03477	0.4
167.07016	0.5
169.06477	0.6
171.08031	2.1
172.05135	0.3
173.05901	0.5
174.06781	1.0
175.07535	3.7
177.05496	2.0
177.09085	1.5
179.08582	0.5
181.06450	0.5
187.07527	1.9
188.08305	1.2
189.09055	1.4
191.10655	1.1
195.08066	0.5
197.05855	0.4
198.06734	0.6
199.07640	0.5
201.09142	0.9
203.10628	5.0
205.06458	0.6
205.12271	0.3
207.08044	0.8
207.09962	0.4
208.08736	0.3
209.09734	0.4
210.06804	0.5
211.07541	1.0
212.08220	0.4
213.05565	0.3
213.09042	0.5
219.07979	0.6
220.35994	0.3
221.05882	0.4
221.09641	0.5
221.11688	0.5
223.07515	0.5
225.09102	0.4
226.06219	0.4
227.06970	0.5
232.08778	0.4
233.09550	0.7
234.06715	0.4
235.07558	2.7
235.11203	0.5
237.09056	0.9
239.07039	1.3
239.10699	0.5
241.08600	2.6
245.09627	0.4
247.07552	0.5
248.08054	0.3
249.09067	1.5
250.09886	0.4
251.06976	0.4
251.10672	0.7
253.08618	1.0
255.10121	1.2
256.07376	0.4
261.09079	1.5
263.10632	0.7
264.07849	0.6
265.08588	1.1
267.10162	2.7
269.11597	0.4
271.09631	3.4
273.11313	2.0
275.10605	0.7
277.08670	0.7
277.12222	0.3
278.09232	0.4
279.10077	0.6
281.11581	0.7
283.09567	0.4
285.11139	0.7
287.13062	0.5
291.10077	1.0
293.11594	1.5
295.13321	1.0
297.11334	0.6
299.12711	2.2
305.11694	0.9
307.13199	0.7
312.13290	0.3
313.14264	0.3
315.05008	0.6
316.05380	0.7
317.05704	0.5
319.13513	0.3
322.65393	0.3
323.12769	0.8
325.14355	1.8
331.07703	0.5
332.07697	0.4
345.09848	1.6
346.09949	1.2
347.10220	1.0
382.36615	0.3
397.14206	0.8
413.17184	0.5
415.80856	0.3
425.17596	2.6
429.16870	3.7
431.18594	0.8
443.18323	0.5
455.18570	0.4
457.19989	2.0
461.19528	5.1
462.19836	0.3
479.20441	1.4
481.20712	0.5
487.21262	0.6
489.22662	0.6
513.22742	1.2
515.24072	0.5
527.24011	0.4
531.24042	0.5
545.25531	0.4
587.24268	1.0
617.19043	1.3
619.26898	2.3
620.26636	0.3
651.29242	0.6
669.30200	0.9
723.18604	0.6
723.38159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	5.8
57.03418	0.3
58.85770	0.2
66.36273	0.2
68.96543	0.5
69.03394	0.5
69.49302	1.4
69.49706	0.7
71.95255	0.3
73.02905	0.4
74.48100	0.3
74.97600	0.3
84.96021	3.5
85.02871	1.1
94.06544	0.4
97.02845	0.9
97.96800	0.3
98.97560	28.7
102.97016	0.8
110.97540	6.8
110.98280	0.4
116.98603	20.3
119.01884	0.5
121.02814	0.3
124.99084	0.7
127.03912	0.6
128.98582	12.8
130.85863	0.3
131.00113	0.7
131.01862	0.4
131.51881	0.3
134.99635	7.3
137.65683	0.3
138.05455	0.5
140.00143	0.7
140.98573	2.7
142.99007	0.4
143.00130	6.9
143.01791	0.5
143.99084	0.3
144.98064	0.3
145.00681	0.4
145.01698	0.6
146.99625	10.6
149.01123	0.5
152.00276	0.3
152.98529	1.2
152.99599	1.4
153.00668	0.4
155.00154	0.5
158.01196	0.4
158.99620	15.3
161.01192	10.8
162.00247	0.6
162.99106	0.5
163.02663	0.3
165.00739	1.6
168.00189	1.3
170.01184	0.5
170.99623	15.3
171.04924	0.3
173.01152	1.3
173.02852	0.9
174.00136	0.9
174.02757	0.3
174.99139	1.0
176.01012	0.3
177.00679	18.9
179.02217	1.4
179.50888	0.3
180.00127	0.5
182.97984	0.6
182.99591	9.7
185.01242	0.6
185.02972	0.7
189.00682	20.6
191.02312	0.7
193.00148	0.7
195.01721	0.9
198.01212	1.4
200.02272	1.0
201.00679	44.4
202.01013	0.7
203.02325	0.5
203.03929	0.4
204.01242	0.5
207.01717	2.0
210.01225	0.9
212.02254	1.2
213.00703	3.1
219.01730	40.1
220.02246	0.5
224.02245	1.4
225.00717	0.6
230.99545	0.5
231.01732	6.2
237.02776	16.6
240.02293	2.3
240.52463	0.4
242.03265	1.6
243.01744	17.5
245.05069	1.3
249.02797	0.7
255.01669	0.5
255.04082	0.4
260.04401	0.7
261.02774	81.5
262.03262	1.2
264.02478	0.2
270.03363	0.6
273.02744	6.6
278.56470	0.4
279.03842	44.6
280.04257	0.8
281.06992	0.4
284.04294	1.1
291.03821	13.7
293.05487	0.4
297.04764	0.8
300.04330	1.0
302.05432	4.9
303.03601	1.4
309.04803	1.6
314.05368	0.8
321.04871	32.6
322.05289	0.6
331.03247	0.3
333.04956	3.3
342.98135	0.3
345.04968	0.7
351.05942	8.2
352.06232	0.3
363.05862	2.3
371.59235	0.3
380.60028	0.5
381.06992	25.3
381.57120	0.6
382.07233	0.6
399.08020	20.6
400.08215	0.4
422.09616	2.1
423.08130	0.9
441.09097	100.0
442.09576	2.4
453.09314	2.3
471.10184	0.8
483.09677	0.4
495.10599	0.3
501.11172	1.4
505.99677	0.3
525.10901	0.4
543.11993	1.4
723.18890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.00290	0.4
53.03935	1.1
55.01862	1.6
55.05500	2.2
55.61912	0.3
57.03426	1.6
58.13726	0.3
59.04979	0.4
61.02906	1.8
65.03931	1.8
67.05496	3.4
68.05807	0.3
68.99775	1.7
69.03417	3.5
69.07050	1.1
69.49974	1.5
69.50407	1.0
70.06586	0.4
71.01357	1.0
71.04979	0.5
72.94717	0.3
76.03177	0.3
77.03928	0.9
79.05480	4.2
81.03401	8.5
81.07042	3.8
82.03731	0.7
83.01360	0.4
83.04973	1.7
83.08609	2.3
85.02895	1.7
85.06542	0.5
87.00806	1.0
88.36342	0.3
89.03889	1.3
89.79984	0.3
91.05465	30.9
92.05804	0.6
93.03383	0.4
93.07037	3.1
94.07387	0.3
95.04961	4.0
95.08604	1.9
96.05309	0.4
97.02880	3.0
97.06524	0.9
97.10160	1.1
99.04443	0.6
103.05442	2.2
105.03364	1.4
105.07014	3.3
107.04939	2.2
107.08559	1.7
109.02862	8.1
109.06476	1.0
109.10144	1.8
111.04435	0.7
111.08078	0.9
115.05448	1.1
116.06223	0.4
117.03362	2.0
117.06985	1.3
118.04141	1.3
119.04924	46.2
119.08546	2.2
120.05235	0.8
121.06483	1.1
121.10116	1.4
122.03640	0.4
123.04394	2.0
123.08039	1.0
123.11726	0.4
125.09614	1.1
127.03888	2.1
128.06183	0.6
129.01819	1.9
129.03342	0.7
129.06973	1.9
131.04886	2.9
131.08533	1.4
132.02034	1.4
133.02834	1.0
133.06485	1.5
133.10130	1.5
134.03535	0.4
134.10515	0.3
135.04384	0.9
135.08029	0.7
135.11665	1.1
136.05211	0.6
137.02310	0.5
137.05978	0.8
137.09596	0.5
141.06967	1.6
143.04929	0.3
143.08556	0.4
144.05699	0.8
145.02824	5.8
145.06459	1.3
145.10118	1.5
146.03462	0.3
147.02988	1.6
147.04382	41.3
147.08041	0.9
147.11647	1.0
148.04868	0.9
149.02313	1.1
149.05974	0.9
149.09586	0.6
151.03853	1.4
151.07526	0.4
153.06898	0.7
154.02623	0.4
154.06267	0.7
155.08461	0.5
157.03941	3.8
157.06458	1.8
157.10085	0.9
159.04362	0.6
159.08014	1.2
159.11748	0.5
161.05948	3.3
161.09618	0.5
162.03128	0.5
163.03836	0.5
163.07600	0.4
163.11186	2.0
164.04689	1.1
164.11464	0.4
165.06987	0.4
165.09094	1.0
167.04846	0.3
167.07013	2.8
169.06456	1.3
169.09999	0.4
171.04388	0.3
171.08043	0.8
172.05182	0.8
173.05954	1.0
173.09590	0.6
174.03067	0.3
174.06708	0.6
175.03877	77.2
176.04204	2.0
177.05443	9.8
178.06158	0.7
179.03383	2.2
179.07013	3.9
181.04895	0.7
181.06415	0.5
181.12274	0.4
182.07213	0.3
183.07962	0.4
184.05205	0.8
185.05943	1.4
185.09563	0.4
187.03873	0.6
187.07437	2.1
189.05493	1.6
189.10994	0.3
191.03363	0.4
191.06956	1.8
191.10672	0.5
192.04118	0.6
193.08589	1.7
193.12271	1.7
194.12653	0.5
197.05949	0.8
198.06715	0.5
199.07446	0.5
200.04703	0.5
201.05463	0.6
203.06996	1.1
203.10651	0.4
205.04930	0.6
205.12187	0.5
207.06491	100.0
208.06815	2.2
209.11629	0.5
211.07552	0.5
211.13245	0.3
212.04623	0.7
213.03793	0.9
213.05508	1.0
213.09079	1.2
214.06285	0.5
215.03308	0.6
215.07007	2.1
217.08586	1.3
219.06483	4.0
221.08014	1.9
223.13162	0.4
226.06187	1.1
227.06979	0.7
227.12683	0.7
229.08688	0.6
230.05667	1.0
231.06555	3.5
231.13539	0.3
232.07181	0.7
233.07961	0.4
235.06061	0.6
235.09674	1.0
237.05414	1.1
239.07123	0.3
241.04895	0.9
241.08620	0.4
243.06483	0.5
245.08034	6.1
247.05984	1.3
247.09738	1.5
249.07553	0.9
253.04883	1.1
254.05635	2.0
255.06444	1.1
256.07327	1.3
257.04370	0.7
257.07922	0.4
258.05188	0.4
259.05972	1.3
259.09735	0.5
261.07553	4.1
263.09106	8.3
267.06552	0.4
267.15887	3.9
268.16196	1.4
269.08041	23.2
270.08374	1.0
271.09656	0.7
272.06754	0.7
273.07532	2.7
275.09052	0.6
283.06125	0.5
283.15344	3.0
284.06668	0.3
284.15598	1.0
285.07565	0.6
287.09131	2.6
289.14316	0.4
291.08575	41.2
292.08868	1.2
295.08240	0.4
299.05823	0.3
299.09076	3.9
301.03561	0.4
303.08682	0.8
315.04904	1.0
315.08521	13.4
331.07825	0.6
333.09637	5.8
345.09662	2.3
351.10730	0.6
363.09348	0.3
377.62564	0.3
383.21924	2.2
384.22327	1.2
401.08563	0.5
401.23077	1.1
402.23840	0.4
409.05176	0.4
411.43839	0.3
419.09616	1.1
419.24103	0.4
425.10782	0.6
437.10678	7.0
439.10098	1.1
450.09482	0.6
451.09702	0.4
455.11801	10.2
456.12402	0.3
457.26083	2.0
458.26031	2.5
475.26871	9.3
476.27255	8.3
493.27652	1.2
494.28024	1.2
525.30298	0.4
617.19324	0.5
687.13232	0.3
723.18921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01863	4.6
55.05500	10.2
57.03431	12.2
57.07047	1.6
59.04987	1.3
61.02916	1.5
65.03931	1.2
67.05498	19.0
69.03429	2.3
69.07068	7.1
70.90981	1.8
70.91357	2.1
71.04980	2.7
73.02909	1.5
77.41301	0.9
79.05484	27.6
81.03406	66.3
81.07048	21.5
83.01312	1.4
83.04974	6.4
83.08611	21.9
85.02898	2.5
85.06538	1.2
91.05474	18.7
93.07030	33.3
95.04958	24.9
95.08593	30.4
97.02872	8.1
97.06519	5.5
97.10141	2.9
99.04452	5.7
103.05438	1.4
105.07018	17.3
107.04945	12.1
107.08575	23.1
109.02888	1.5
109.06529	5.1
109.10136	5.3
111.04444	4.2
111.08053	6.6
115.05443	2.4
117.03373	0.9
117.07013	7.5
119.04942	1.1
119.08576	18.1
121.06488	9.1
121.10131	14.6
123.04433	1.5
123.08039	2.7
125.05972	2.7
125.09650	1.7
127.03928	1.6
129.07004	6.1
131.08556	7.8
133.06535	1.7
133.10094	6.7
135.08066	1.7
135.11671	39.5
136.11989	1.3
137.05923	1.9
137.09590	1.8
139.07509	1.6
143.08559	1.9
145.02879	2.8
145.06458	1.3
145.10103	25.4
147.04411	1.5
147.08041	3.8
147.11684	8.4
149.05945	1.2
149.09627	4.2
153.12794	1.4
155.08556	1.2
157.10120	9.8
161.05998	1.4
163.11165	52.0
164.11572	1.2
165.09109	2.5
165.12770	2.1
173.09645	2.4
175.11139	8.3
177.05403	7.6
178.05832	2.0
179.08510	1.0
181.12216	10.2
193.12215	17.9
193.13969	1.3
195.06468	1.5
205.08662	1.0
205.12280	1.3
209.11719	3.0
211.13283	4.1
227.12756	51.6
228.13293	1.0
249.14754	2.0
267.15884	94.8
268.16171	2.8
283.15378	61.5
285.16833	1.5
315.05057	2.7
331.07950	1.6
345.09705	5.4
346.09961	1.5
383.22223	1.6
384.11630	1.9
457.25739	2.4
475.26865	100.0
476.27271	6.3
493.27902	3.7
525.30591	2.3
616.18860	2.1
642.16492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.66017	0.9
53.03934	2.5
55.01859	7.4
55.05504	12.6
57.03428	12.4
58.62157	1.2
59.04980	1.3
61.02914	2.1
65.03928	3.6
67.05491	17.3
68.99774	2.0
69.03419	5.9
69.07051	4.1
69.41267	2.8
69.41684	6.8
71.01350	1.8
71.04977	3.5
77.03919	1.2
79.05482	19.7
81.03405	50.5
81.07047	16.4
83.01320	5.2
83.04967	7.3
83.08164	1.4
83.08608	14.1
85.02892	2.9
86.09711	1.0
91.05467	41.8
93.07033	18.8
95.04955	15.7
95.08600	9.6
97.02889	4.9
97.06509	3.1
97.10159	6.7
99.04410	1.5
103.05454	2.6
105.07016	13.4
107.04937	9.5
107.08574	10.9
109.02860	8.4
109.06516	5.5
109.10114	5.5
111.04436	3.4
111.08053	3.5
115.05441	1.3
117.03383	1.1
117.07013	6.8
118.04140	2.2
119.04923	43.5
119.08562	11.0
121.06509	5.0
121.10141	7.0
123.04412	2.7
123.08078	5.0
125.05988	1.3
125.09615	5.3
127.03887	1.4
128.06140	1.3
129.01802	1.1
129.06969	7.6
130.07820	1.1
131.04898	4.2
131.08571	8.5
132.02023	1.4
133.06485	2.8
133.10115	4.1
135.04366	2.0
135.08051	2.5
135.11678	6.0
137.05925	2.5
137.09604	2.2
141.07005	2.0
142.12502	1.1
143.08569	2.2
145.02817	4.7
145.06435	2.7
145.10098	9.6
147.04388	43.7
147.08031	4.0
147.11682	4.3
149.02379	1.2
149.05942	1.4
149.09624	2.7
151.03897	2.1
153.09047	0.9
153.12741	2.0
155.04945	1.1
157.03905	3.3
157.06534	1.8
157.10071	6.8
159.08067	2.4
159.11601	1.0
161.05963	5.8
161.09587	1.3
163.03867	1.1
163.11156	12.1
164.04736	1.3
165.12704	1.3
167.07013	2.5
169.06444	1.6
171.08022	1.3
173.05965	0.9
173.09573	3.7
175.03879	72.2
175.11151	3.9
177.05443	7.0
179.03400	2.4
179.07076	4.9
181.12149	1.6
183.07957	0.9
185.05963	1.2
187.07555	1.9
189.05492	1.4
189.09041	1.2
189.11272	2.3
191.07001	2.3
191.10609	2.7
193.12230	10.3
197.05952	2.2
205.12248	1.1
206.05714	1.5
207.06496	100.0
209.11729	3.8
211.13261	1.7
212.04770	1.1
213.03813	1.2
213.09076	1.7
215.06981	2.7
219.06537	3.8
221.07986	1.1
223.11076	1.1
226.06154	1.1
227.12788	2.4
231.06512	3.9
231.13629	1.8
237.11201	1.3
243.13733	1.3
245.08058	4.7
247.09674	1.2
249.14865	1.0
254.05817	1.2
256.07401	2.1
261.07574	2.2
263.09137	9.8
265.14102	1.2
267.15863	26.7
269.08044	27.5
269.10815	1.8
269.15332	1.5
271.13416	1.5
273.07614	2.3
273.14642	1.4
283.15381	22.1
287.09164	2.4
289.14417	2.6
291.08591	43.2
299.09143	2.5
315.04965	2.6
315.08603	13.0
330.07239	1.2
331.07684	1.6
333.09558	8.2
345.09720	3.7
355.22549	1.1
365.21075	4.5
383.22165	15.1
401.23169	9.6
419.24445	1.5
431.24045	1.5
437.10660	7.8
439.24777	1.5
452.85046	1.1
455.11850	11.1
457.25781	28.2
458.26022	1.6
475.26859	95.4
476.27151	4.3
493.27667	8.6
517.27954	1.9
616.18451	3.0
642.16351	1.3
683.02478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01863	8.3
57.03423	1.9
57.07067	3.6
59.04981	2.1
61.02933	1.2
65.03947	1.3
67.05491	3.5
69.03413	8.7
69.06734	1.1
69.07052	6.7
70.02942	4.1
71.04968	1.6
71.63700	1.6
71.64092	1.1
72.04506	17.8
73.02917	10.5
78.04700	1.5
79.05468	4.1
81.03406	11.8
81.07046	3.3
83.04976	5.3
84.04472	1.4
84.08129	1.2
85.02888	7.8
85.06516	6.6
86.06039	1.7
86.09692	3.8
87.04470	1.7
87.08083	2.7
90.04997	2.3
90.05544	35.8
91.05487	5.0
93.07027	2.1
95.04966	8.1
96.08128	1.1
97.02882	13.0
97.06515	2.2
98.02399	12.2
99.04440	4.1
100.03973	4.4
103.05463	2.4
103.07577	3.2
105.07011	2.8
107.04925	5.6
107.08540	1.6
109.02863	18.6
109.06515	5.9
111.04433	2.6
111.08053	1.1
112.07584	1.3
113.06004	4.4
114.21731	1.0
115.03878	2.3
115.05408	3.3
116.03454	17.8
117.03354	1.3
117.07022	2.6
119.04907	1.8
121.06481	3.5
121.10174	1.2
122.03622	1.4
123.04392	4.4
124.07575	21.4
124.08429	1.8
125.05982	1.3
127.03897	12.3
129.06982	3.8
130.08737	1.1
130.09715	1.7
131.04918	5.2
131.06982	2.0
131.08537	3.4
132.06551	7.8
132.10158	1.3
133.06464	1.7
133.10156	2.5
136.05182	1.3
137.04944	2.3
137.05956	36.6
138.05429	1.4
139.03897	2.4
141.06987	1.1
142.08627	14.6
145.02885	1.9
145.04935	4.4
145.06439	3.1
147.04387	1.3
149.05954	3.0
151.03854	2.0
151.07477	5.4
153.05460	2.9
153.09149	1.7
154.08553	1.8
156.10172	2.0
157.06508	3.5
159.08072	2.9
160.09692	7.3
161.05956	3.0
163.03882	1.5
163.07501	4.2
166.08618	3.8
167.07024	61.9
169.06473	1.1
172.09662	3.5
173.05933	2.8
173.13231	2.9
174.11243	6.9
175.07635	5.5
177.05476	7.5
179.07054	2.2
181.04944	3.2
181.08568	4.4
184.09653	32.0
187.06003	2.2
187.07532	4.0
189.09074	5.9
191.07005	1.6
191.14365	2.4
193.08629	7.8
193.10112	1.5
195.06451	1.8
195.08066	2.2
198.07610	1.7
199.05957	5.3
199.07597	1.9
201.09065	4.9
202.10724	71.3
203.08586	2.5
203.11285	2.0
205.08563	1.8
209.08008	2.6
209.15294	2.8
211.09644	7.7
212.17339	1.1
216.08652	3.3
217.07007	3.0
217.08766	1.2
219.08008	3.2
219.10152	9.4
220.08684	2.0
220.09645	1.2
220.11809	19.1
221.09686	1.2
221.12021	1.4
221.56024	1.1
223.04227	11.4
223.07591	1.5
226.10760	1.9
230.10243	5.9
231.08063	3.2
234.09708	8.2
237.08958	1.2
244.11755	1.3
247.07596	3.4
248.08228	6.4
249.08994	1.9
249.11212	1.8
251.10645	1.9
253.08743	1.3
262.12875	13.3
263.06982	1.3
263.10669	5.1
271.09610	2.0
276.07846	2.9
277.08411	1.5
279.10123	3.2
281.11658	1.9
291.10098	9.8
295.13165	3.1
308.10019	1.4
309.11176	4.3
310.12793	6.8
312.09335	1.3
313.14294	4.8
313.84332	1.2
323.12674	8.0
325.10406	1.3
328.13864	77.2
329.14114	3.3
331.15347	2.1
341.13773	24.4
345.09586	2.9
346.14902	21.3
355.15314	3.0
359.14758	17.5
364.15970	100.0
365.16238	1.3
373.16299	3.7
382.17123	3.5
496.20236	1.9
565.94672	1.1
572.30341	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	721.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.05502	14.4
57.03419	7.9
57.63538	1.8
59.69072	1.9
67.05497	60.4
67.23317	2.2
69.07069	12.6
69.45139	2.1
71.04982	2.3
73.59843	2.1
75.81385	1.9
79.05486	62.6
81.03397	5.1
81.07051	53.9
83.04978	11.0
83.08605	6.5
91.05472	40.2
93.07034	57.6
95.04961	14.4
95.08595	34.6
97.06486	5.5
97.10143	5.7
98.20679	5.0
99.17342	2.2
105.07023	32.3
106.45650	2.1
107.04946	5.3
107.08584	23.6
109.06500	4.6
109.10139	10.3
117.07009	11.4
119.08559	22.8
121.10137	12.6
123.08099	3.1
123.11700	3.9
125.24099	2.0
126.51955	1.9
129.06985	7.7
131.08528	8.5
133.10098	12.5
135.11670	7.3
143.08549	8.1
145.10103	10.3
147.11694	24.7
148.49568	1.9
159.11668	4.6
161.09570	4.4
161.13249	6.7
171.11653	15.9
175.70450	2.0
189.12680	2.9
207.13811	16.8
258.11746	2.0
261.22180	5.3
275.19974	2.4
281.17493	30.7
335.25787	54.2
336.26065	2.9
405.16330	2.1
419.17422	3.3
434.20703	2.5
448.21844	7.3
449.22208	4.3
475.21078	4.1
476.21664	9.7
477.22052	12.6
478.22269	2.7
536.23590	7.1
537.23993	10.4
541.38837	100.0
542.39124	8.0
549.22998	2.6
563.25452	3.3
564.25720	2.9
622.27112	6.0
623.28021	26.4
624.18787	4.2
624.28479	70.4
625.28357	6.9
721.50385	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	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.2
55.05513	24.3
55.72028	2.2
57.03432	11.0
58.43757	2.7
65.03938	2.9
67.05494	60.1
69.07058	16.0
69.94102	4.5
69.94505	14.3
70.85941	2.6
79.05483	63.8
81.03410	8.7
81.06568	2.9
81.07048	55.8
83.04977	10.9
83.08619	8.8
83.45786	2.4
85.06573	3.1
91.05462	49.8
93.07027	65.3
95.04964	19.3
95.08591	40.4
97.06529	4.7
97.10172	4.2
98.20859	3.8
105.07022	32.1
107.04923	5.7
107.08583	28.1
109.06498	4.9
109.10159	13.7
117.07031	11.8
119.08565	22.4
121.10128	13.8
123.08133	3.3
129.07001	10.1
131.08554	10.0
133.10138	11.9
135.11688	8.0
143.08560	5.4
145.10123	11.3
147.11653	25.9
159.11682	5.7
161.13275	9.3
171.11620	15.6
189.12643	3.8
207.13812	19.0
214.65163	2.8
237.90588	2.8
261.22101	8.2
275.20053	4.1
276.67444	2.5
281.17441	32.6
325.25018	2.7
335.25751	61.3
348.46927	3.2
541.38849	100.0
542.38776	4.5
598.19763	3.0
609.44861	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	722.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01863	8.3
57.03423	1.9
57.07067	3.6
59.04981	2.1
61.02933	1.2
65.03947	1.3
67.05491	3.5
69.03413	8.7
69.06734	1.1
69.07052	6.7
70.02942	4.1
71.04968	1.6
71.63700	1.6
71.64092	1.1
72.04506	17.8
73.02917	10.5
78.04700	1.5
79.05468	4.1
81.03406	11.8
81.07046	3.3
83.04976	5.3
84.04472	1.4
84.08129	1.2
85.02888	7.8
85.06516	6.6
86.06039	1.7
86.09692	3.8
87.04470	1.7
87.08083	2.7
90.04997	2.3
90.05544	35.8
91.05487	5.0
93.07027	2.1
95.04966	8.1
96.08128	1.1
97.02882	13.0
97.06515	2.2
98.02399	12.2
99.04440	4.1
100.03973	4.4
103.05463	2.4
103.07577	3.2
105.07011	2.8
107.04925	5.6
107.08540	1.6
109.02863	18.6
109.06515	5.9
111.04433	2.6
111.08053	1.1
112.07584	1.3
113.06004	4.4
114.21731	1.0
115.03878	2.3
115.05408	3.3
116.03454	17.8
117.03354	1.3
117.07022	2.6
119.04907	1.8
121.06481	3.5
121.10174	1.2
122.03622	1.4
123.04392	4.4
124.07575	21.4
124.08429	1.8
125.05982	1.3
127.03897	12.3
129.06982	3.8
130.08737	1.1
130.09715	1.7
131.04918	5.2
131.06982	2.0
131.08537	3.4
132.06551	7.8
132.10158	1.3
133.06464	1.7
133.10156	2.5
136.05182	1.3
137.04944	2.3
137.05956	36.6
138.05429	1.4
139.03897	2.4
141.06987	1.1
142.08627	14.6
145.02885	1.9
145.04935	4.4
145.06439	3.1
147.04387	1.3
149.05954	3.0
151.03854	2.0
151.07477	5.4
153.05460	2.9
153.09149	1.7
154.08553	1.8
156.10172	2.0
157.06508	3.5
159.08072	2.9
160.09692	7.3
161.05956	3.0
163.03882	1.5
163.07501	4.2
166.08618	3.8
167.07024	61.9
169.06473	1.1
172.09662	3.5
173.05933	2.8
173.13231	2.9
174.11243	6.9
175.07635	5.5
177.05476	7.5
179.07054	2.2
181.04944	3.2
181.08568	4.4
184.09653	32.0
187.06003	2.2
187.07532	4.0
189.09074	5.9
191.07005	1.6
191.14365	2.4
193.08629	7.8
193.10112	1.5
195.06451	1.8
195.08066	2.2
198.07610	1.7
199.05957	5.3
199.07597	1.9
201.09065	4.9
202.10724	71.3
203.08586	2.5
203.11285	2.0
205.08563	1.8
209.08008	2.6
209.15294	2.8
211.09644	7.7
212.17339	1.1
216.08652	3.3
217.07007	3.0
217.08766	1.2
219.08008	3.2
219.10152	9.4
220.08684	2.0
220.09645	1.2
220.11809	19.1
221.09686	1.2
221.12021	1.4
221.56024	1.1
223.04227	11.4
223.07591	1.5
226.10760	1.9
230.10243	5.9
231.08063	3.2
234.09708	8.2
237.08958	1.2
244.11755	1.3
247.07596	3.4
248.08228	6.4
249.08994	1.9
249.11212	1.8
251.10645	1.9
253.08743	1.3
262.12875	13.3
263.06982	1.3
263.10669	5.1
271.09610	2.0
276.07846	2.9
277.08411	1.5
279.10123	3.2
281.11658	1.9
291.10098	9.8
295.13165	3.1
308.10019	1.4
309.11176	4.3
310.12793	6.8
312.09335	1.3
313.14294	4.8
313.84332	1.2
323.12674	8.0
325.10406	1.3
328.13864	77.2
329.14114	3.3
331.15347	2.1
341.13773	24.4
345.09586	2.9
346.14902	21.3
355.15314	3.0
359.14758	17.5
364.15970	100.0
365.16238	1.3
373.16299	3.7
382.17123	3.5
496.20236	1.9
565.94672	1.1
572.30341	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	721.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01847	4.3
55.05241	1.6
55.05499	23.9
57.03425	11.3
57.07053	3.6
59.04979	2.6
59.09367	1.1
59.22707	1.3
61.02916	4.3
64.85295	1.3
65.03912	4.1
67.05495	71.3
68.05815	1.5
69.03419	13.9
69.07062	23.2
71.04981	28.3
71.08612	2.1
71.52425	1.2
73.02895	3.0
79.05030	2.5
79.05483	50.8
81.02959	1.7
81.03407	28.3
81.07044	100.0
83.04970	8.9
83.08620	10.4
85.02882	9.1
85.06512	8.7
86.50528	1.2
91.05466	57.4
93.07034	50.4
94.07339	1.3
95.04953	11.4
95.08595	33.5
97.02866	13.2
97.06503	9.5
97.10146	5.0
98.21503	2.4
99.04406	4.6
99.08049	3.0
101.02364	1.9
103.05452	1.9
105.07014	50.4
107.04908	4.6
107.08582	34.0
109.02845	5.4
109.06515	6.9
109.10138	13.9
111.04414	2.9
111.08044	3.8
115.03902	1.5
115.05446	4.3
117.07005	18.4
119.08567	31.3
121.06502	2.4
121.10120	21.1
123.04436	1.6
123.08027	3.9
123.11678	11.2
125.09615	2.9
127.03857	5.2
128.06171	3.8
129.05482	3.2
129.06989	14.5
130.07700	1.6
131.08543	27.5
133.06544	1.6
133.10112	32.5
135.07997	3.3
135.11659	17.4
137.06000	1.3
137.09610	2.1
139.11194	1.4
141.06961	4.1
142.07701	2.1
143.08525	14.0
145.06476	2.2
145.10110	25.7
147.08026	3.0
147.11668	22.2
149.09579	3.9
149.13243	9.7
151.07503	1.5
151.11169	5.9
153.12732	2.0
154.07755	2.0
155.08537	7.9
156.09334	2.4
157.10120	17.5
159.08006	2.2
159.11673	19.6
161.09583	1.4
161.13268	11.5
163.11099	1.4
163.14783	1.9
165.12698	2.5
167.08536	3.7
169.10121	9.3
171.08127	1.9
171.11667	12.8
173.04411	13.3
173.09669	2.1
173.13199	13.2
175.11136	4.2
175.14780	5.7
177.12709	3.2
179.14255	1.4
181.10095	4.8
183.11720	9.2
183.13089	1.5
185.09586	2.5
185.13231	10.0
187.11136	1.4
187.13286	5.7
187.14839	4.6
193.10078	1.3
193.12228	4.7
195.08058	1.8
195.11606	4.8
195.13814	2.3
197.09573	2.3
197.13248	5.9
199.14783	5.9
201.12874	1.6
201.14693	2.7
201.16422	2.1
207.11659	2.6
209.13202	3.7
211.11191	1.4
211.13058	2.0
211.14790	4.1
213.16270	2.8
215.14406	1.7
223.14787	2.4
225.14626	3.0
227.12576	1.8
227.16389	4.0
239.17877	2.3
241.15761	1.8
241.19495	4.7
243.15851	6.4
243.21013	2.3
257.17218	3.0
259.20853	9.8
261.22192	6.5
267.15811	2.1
269.17282	2.1
271.20459	2.3
275.20029	2.4
277.21655	1.5
283.20651	2.0
285.22098	3.0
297.22119	2.7
301.20309	2.0
313.21664	2.1
315.23166	3.2
317.24728	2.6
323.23712	1.9
325.21713	1.7
333.24408	8.3
335.25784	4.3
337.21445	1.9
339.23093	2.1
345.09799	1.9
349.21252	2.1
353.24951	1.6
367.22583	6.0
369.24033	2.3
411.32175	2.3
413.21582	2.9
435.32996	2.8
441.26297	3.1
453.33344	1.6
485.35999	3.4
501.35657	20.7
503.37241	57.8
504.37396	4.7
509.35922	1.9
525.35004	2.2
527.37244	35.8
528.37579	2.2
533.38232	3.8
541.35236	1.6
543.36841	2.5
545.37701	2.3
559.39294	4.9
609.44708	1.7
615.18262	2.4
635.38910	2.6
653.40289	4.7
667.41876	2.6
671.40942	5.0
689.42389	8.7
703.42847	3.2
721.45758	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	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
51.20658	2.2
53.03934	15.9
55.01864	16.9
55.05507	47.9
57.01603	2.1
57.03431	18.1
60.06754	2.4
61.02906	8.5
65.03917	6.8
67.05149	5.6
67.05496	99.0
68.05802	2.9
69.03049	2.6
69.03422	32.0
69.06760	3.1
69.07063	38.6
69.37501	20.7
69.37917	4.7
71.01354	3.8
71.04990	17.5
73.02892	4.4
77.03922	3.6
79.05487	73.2
80.05824	2.5
81.03407	94.9
81.07045	100.0
82.03731	2.8
83.04971	31.0
83.08610	26.7
85.02902	22.8
85.06525	7.0
87.52637	2.6
91.05466	80.6
91.06035	4.1
93.07035	75.6
95.04951	41.0
95.08597	44.6
96.05252	2.3
97.02872	31.6
97.06523	24.3
97.10155	15.2
99.04482	11.9
99.08024	3.1
103.05423	2.2
103.10795	2.2
105.06347	4.5
105.07021	67.3
105.07722	4.2
107.04951	26.0
107.08582	41.3
107.81847	2.2
109.02859	17.0
109.06493	23.4
109.10145	32.0
111.04426	15.3
111.08083	14.0
113.06023	4.9
115.05464	6.6
115.49802	2.2
117.07011	27.7
119.02069	2.0
119.04867	3.2
119.08554	52.6
121.06474	11.6
121.10136	34.8
123.04392	5.9
123.08062	12.5
123.11713	11.7
125.09595	11.5
127.03876	15.2
127.95013	2.2
128.06206	4.8
129.05479	4.7
129.06996	26.2
131.04929	2.8
131.08553	39.7
133.06465	7.0
133.10103	34.0
135.08023	14.9
135.11674	19.9
137.09604	7.5
139.07478	2.4
139.11162	3.0
141.06950	8.9
142.07779	6.2
143.08556	16.7
145.04889	2.3
145.06442	8.0
145.10092	33.3
147.04385	2.8
147.08020	10.6
147.11690	35.7
149.09595	22.4
149.13214	7.5
151.07491	4.1
151.11124	3.9
153.06917	3.3
153.09187	2.7
155.08516	9.7
156.09282	3.7
157.10107	20.0
159.08008	5.9
159.11687	23.5
161.06035	2.5
161.09602	8.2
161.13219	10.0
163.11137	16.5
165.08983	3.0
165.12813	5.2
167.08499	5.5
169.06490	3.0
169.10130	12.2
171.08055	4.1
171.10292	3.7
171.11665	16.0
173.04459	15.8
173.05731	3.2
173.09599	7.4
173.11789	4.4
173.13260	8.3
175.07529	2.8
175.11143	11.1
175.14781	3.4
177.12711	6.5
181.10039	4.6
181.12129	4.9
183.11684	7.8
185.13258	10.5
187.11125	7.9
187.14825	3.4
189.11194	7.6
189.12724	3.1
191.10728	4.5
193.10448	4.9
193.12218	31.4
195.11668	8.4
197.13261	7.6
201.12691	4.1
203.14340	3.2
209.09621	3.3
209.11609	5.4
209.13333	3.0
211.11275	3.9
211.13237	40.0
211.15025	2.6
213.12665	3.5
215.14293	3.9
219.13690	2.7
221.13249	3.0
227.12740	18.0
229.14227	6.9
229.19521	2.4
239.17937	2.7
247.20470	4.8
257.19025	11.5
259.20578	7.3
266.82584	2.4
267.15811	20.5
273.18448	6.1
275.20041	70.3
276.20474	3.0
283.15408	6.4
285.16882	14.9
287.20102	3.4
291.19559	12.7
293.21042	7.6
299.20297	2.5
313.21643	4.4
315.04858	7.4
330.07355	3.3
331.22595	4.8
345.09653	13.6
349.23764	26.4
411.20020	3.5
429.21100	5.5
431.29233	3.3
449.30557	5.9
466.28189	4.1
467.31262	5.9
479.29773	3.3
523.33923	8.3
531.36584	4.1
541.35242	46.4
542.35022	3.9
559.36127	48.9
583.36151	2.9
585.13641	4.8
615.18280	10.2
616.19031	3.3
641.15674	4.6
667.37701	4.3
685.39392	8.7
703.40442	21.1
709.46185	2.7
721.39355	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01871	10.6
55.05238	2.0
55.05503	23.5
57.03431	22.5
57.07050	3.2
61.02920	3.1
65.03927	8.6
66.04720	1.7
67.05495	75.4
68.05800	2.2
69.03419	16.8
69.07057	15.6
69.96246	9.7
71.04975	9.1
73.02895	2.4
79.05486	45.1
81.02949	2.1
81.03406	29.3
81.07045	62.9
83.04975	14.2
83.08607	15.0
85.02898	8.2
85.06525	11.3
91.04936	3.1
91.05468	44.7
93.07032	51.3
94.07343	1.4
95.04955	69.8
95.08587	25.5
97.02875	13.1
97.06502	9.8
97.10151	6.9
99.04405	5.0
103.03949	2.2
103.05438	2.5
105.07015	32.9
107.04948	12.2
107.08575	35.4
109.02850	6.6
109.06503	57.2
109.10149	11.6
111.04430	2.8
111.08054	6.7
113.05986	30.7
115.05426	4.5
117.07005	21.1
118.07413	1.6
119.08566	21.7
121.06472	8.5
121.10118	13.7
123.04420	3.6
123.08025	5.8
123.11678	5.1
125.09601	4.6
127.03856	7.7
128.06207	4.1
129.05505	2.6
129.06996	13.8
130.07736	2.1
131.08560	24.2
133.06447	4.4
133.10104	19.3
135.07054	2.9
135.08031	43.4
135.11676	9.7
137.05872	2.1
137.09595	2.5
141.06960	3.9
142.07730	2.9
143.08519	13.0
145.06473	3.0
145.10097	18.4
147.07996	6.0
147.11658	10.3
149.02348	2.7
149.09596	9.2
149.13223	11.2
151.07487	2.0
151.11142	1.5
155.08549	3.6
157.10117	10.5
159.08012	3.2
159.11702	17.4
161.09593	9.0
161.13268	3.7
163.11101	5.2
165.12761	1.7
169.10101	6.3
171.08072	2.1
171.11603	8.8
173.04424	2.4
173.09541	2.0
173.13235	4.8
175.11174	6.0
177.12717	7.0
181.10258	2.4
183.11604	3.0
185.13228	4.9
187.11206	2.3
189.11177	2.3
191.10725	1.7
193.04942	2.7
193.12332	1.8
195.11702	2.6
195.13753	6.6
197.03104	1.9
199.14804	3.6
201.12727	2.8
209.13229	1.9
213.14665	2.2
217.15866	12.0
219.13760	1.8
227.12706	5.2
233.15480	1.7
245.19023	1.6
249.14804	1.9
251.16386	2.4
255.17349	5.1
256.26343	4.3
267.15790	3.5
269.17383	8.1
271.20578	1.7
273.18472	38.1
275.19995	4.8
279.15915	3.8
291.19495	100.0
292.19827	2.5
300.28897	2.6
309.20190	2.7
315.05048	2.5
315.23203	2.3
339.17911	5.5
345.09552	2.6
347.22217	11.9
361.91528	1.6
365.05722	1.8
365.23230	15.9
395.20520	4.1
413.21661	26.0
449.30798	2.7
467.31384	1.8
485.32120	2.2
519.56458	1.6
523.34436	3.7
541.35254	33.1
559.36169	39.9
560.36261	2.8
615.18640	2.6
616.18506	2.1
685.38965	3.5
703.40424	20.8
704.40076	2.3
721.38165	5.4
721.56879	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	721.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.3
53.93645	1.7
55.01869	11.8
55.05503	18.4
55.38663	1.9
57.03431	25.6
61.02908	2.5
65.03928	5.9
67.05495	86.9
69.03418	16.1
69.07055	12.7
71.04982	4.1
73.02898	2.1
75.60909	1.6
78.75486	1.8
79.05484	43.7
81.03415	26.4
81.07045	55.6
83.04969	13.4
83.08606	12.4
85.02904	8.7
85.06525	14.4
85.68600	1.9
88.07600	2.6
91.05468	43.6
93.07034	51.7
95.04951	70.4
95.08594	25.4
97.02862	11.9
97.06508	9.3
97.10163	3.2
98.20654	3.3
99.04428	7.0
99.08056	2.5
105.07019	34.4
107.04942	15.6
107.08567	31.3
109.02848	7.1
109.05753	3.1
109.06499	60.1
109.10152	9.2
111.04370	3.2
111.08072	5.7
113.05268	3.2
113.05988	31.5
115.05502	2.0
117.07012	18.8
119.08566	18.5
121.06500	9.8
121.10123	12.1
123.08045	6.2
123.11697	4.8
125.05984	1.8
125.09637	2.8
126.52917	1.7
127.03878	6.5
128.06215	3.9
129.05475	4.0
129.06995	10.0
130.07710	2.2
131.02097	1.6
131.08534	27.4
133.06462	2.6
133.10120	16.2
135.08046	43.9
135.11647	12.3
137.05942	2.1
137.09567	3.2
141.06909	2.6
142.07722	2.9
143.08568	10.3
145.06436	2.2
145.10114	13.6
147.08012	6.6
147.11646	9.8
149.02365	1.8
149.09592	7.5
149.13223	11.9
151.11148	3.0
155.08549	4.5
157.10080	8.9
159.08121	3.1
159.11655	17.1
161.09583	9.6
161.13199	2.0
163.11105	3.7
165.12758	2.1
169.10034	3.1
171.11632	4.7
173.04401	2.3
173.13222	3.3
175.11041	3.3
177.12711	7.0
179.14259	2.2
181.10130	3.2
183.11604	2.8
185.09518	2.2
185.13213	3.3
187.11096	1.7
190.98218	1.7
193.04868	2.3
193.12129	2.0
195.13718	7.5
199.14812	2.4
201.12704	2.1
209.13322	1.8
217.15874	12.8
227.17775	3.0
237.16515	2.3
245.18837	2.7
251.16461	3.8
255.17482	4.3
256.26370	2.3
266.40479	1.7
267.15961	3.4
269.17487	12.0
273.18469	39.4
275.19980	3.2
279.15729	3.8
291.19510	100.0
292.19724	1.9
301.07190	2.8
339.17932	4.9
345.09644	4.9
347.22162	12.6
347.25775	2.0
365.23181	15.2
395.20551	3.8
413.21649	25.5
467.31241	2.1
501.32269	2.0
541.35181	20.1
559.36218	32.4
560.36530	3.7
685.39063	6.6
703.40552	21.0
721.38019	13.4
721.56921	4.7
722.36932	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	721.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83574	0.5
52.83039	0.5
55.01828	0.8
57.03386	0.7
67.05459	0.7
69.42773	5.7
70.06551	0.6
71.04948	0.6
79.05446	1.1
81.03365	1.3
81.06966	0.7
83.04941	0.6
84.08102	0.8
85.02852	0.9
87.02628	0.6
91.05404	1.4
93.06993	1.1
95.04925	0.7
97.02840	1.6
97.06482	1.3
98.20719	0.9
105.06980	1.2
107.04916	1.2
107.08543	0.7
115.05405	0.7
117.03352	1.0
117.06966	0.9
119.04861	1.0
121.06425	0.7
123.04369	0.8
125.05965	0.9
127.03886	0.9
128.06226	1.3
129.06973	1.5
131.08516	1.4
133.06364	0.6
133.10056	1.0
135.04431	0.8
135.08060	0.7
136.05119	1.2
137.05905	2.4
141.06932	0.7
141.72670	0.5
145.02777	2.2
145.06514	0.6
145.10025	0.8
147.04437	3.1
149.05972	1.1
151.07558	3.0
153.01776	2.0
153.05431	1.5
157.06389	1.2
159.07996	0.9
161.02286	0.8
161.05899	1.6
163.03857	1.6
165.09061	0.6
167.06998	1.7
168.07755	1.1
173.05974	0.8
174.06718	2.0
175.03755	0.7
175.07497	1.2
177.05492	5.5
178.06235	7.2
179.06934	1.7
181.08533	2.0
185.05905	0.7
186.06691	0.6
189.01759	1.1
189.09087	2.6
191.03314	2.3
191.06984	3.3
191.10692	0.8
192.07858	0.6
193.08540	0.9
195.06502	1.2
201.05388	1.3
201.09067	1.0
205.04883	2.9
213.05444	1.0
215.07053	0.9
216.04121	1.8
217.08578	1.2
219.10109	9.4
221.97008	0.7
227.03308	0.8
229.04903	1.6
231.06371	1.7
241.04904	1.7
243.06477	1.5
244.07161	1.2
245.08125	0.7
247.09676	1.5
253.04883	0.7
255.02875	8.0
257.04449	1.1
259.05975	1.6
265.04980	0.7
269.04404	2.3
281.04471	1.2
283.02359	1.7
284.06943	0.8
285.03827	1.4
287.05341	7.3
297.03915	2.7
299.05441	2.0
300.02591	3.2
300.06125	0.9
301.06979	1.0
305.04324	0.9
312.06223	1.7
313.06958	2.4
315.04956	42.3
316.05283	1.1
316.09464	1.0
319.06012	1.1
320.06827	0.7
321.03928	1.0
327.04880	0.9
329.06580	1.7
330.07300	20.1
331.07935	1.7
335.05319	0.8
337.07184	1.3
345.09631	100.0
346.09891	2.5
347.05286	0.8
348.05978	0.9
349.07153	1.5
363.05161	1.7
364.05612	0.8
365.06564	2.6
365.10651	1.1
377.08685	2.0
379.07971	0.8
390.79248	0.6
391.04248	1.6
397.09259	0.8
404.05200	0.9
405.05820	1.3
417.02158	5.0
420.08304	1.6
421.09055	2.0
432.04388	1.2
433.05203	1.2
435.10309	0.8
439.08408	0.7
447.07101	9.1
448.08047	0.9
449.06934	0.8
463.10114	0.9
467.07452	0.8
473.12305	0.8
483.06821	1.2
484.08188	0.7
495.06580	0.9
499.10266	1.6
509.09183	1.2
513.08936	1.0
525.07806	1.4
527.09613	3.3
537.08228	0.9
539.13739	0.9
541.10889	1.2
542.12292	0.8
552.10553	1.7
555.08521	4.3
557.14032	5.5
567.13098	1.2
569.11035	2.6
570.11469	0.9
571.15863	1.4
573.13794	0.7
583.11932	3.6
585.13837	36.3
586.14404	0.9
597.14117	0.9
598.14178	0.7
599.15802	3.0
600.16675	1.4
601.13409	1.8
611.11786	2.7
613.17242	1.1
615.18500	95.9
616.19092	3.7
629.15961	1.5
631.17780	2.9
641.16461	37.9
642.16736	1.7
657.15839	11.9
658.16821	1.0
659.17462	19.3
685.15070	5.7
703.16254	3.6
721.17542	9.4
721.37634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
54.26894	0.8
55.01857	2.6
55.05500	10.1
57.03431	8.2
60.55367	0.8
62.60869	1.0
62.69661	0.8
65.03905	1.6
67.03358	0.8
67.05148	1.4
67.05493	26.8
69.03403	2.9
69.07060	8.1
71.01343	1.2
71.04964	2.9
71.61988	1.6
73.02889	1.1
77.11571	0.9
79.05029	1.8
79.05479	36.0
81.03404	41.8
81.07043	25.3
83.04965	8.6
83.08611	11.9
85.02876	3.4
85.06507	1.7
91.03003	0.9
91.05461	32.2
93.07030	36.3
95.04948	21.0
95.08577	14.2
97.02850	3.2
97.06521	5.6
97.10134	3.3
99.04427	0.8
105.07014	25.6
106.07352	1.3
107.04923	6.4
107.08588	11.7
109.02847	1.5
109.06487	5.0
109.10143	6.2
111.04429	1.2
111.08041	3.5
115.05396	1.4
117.06992	5.8
119.04967	1.1
119.08562	18.5
121.06492	3.2
121.10138	5.6
123.04360	1.3
123.08011	4.0
123.11684	1.8
125.09565	1.5
127.03931	1.4
128.06175	1.4
129.06987	13.6
131.08522	7.2
133.06458	2.9
133.10100	10.1
135.08025	1.5
135.11633	2.9
137.05945	1.2
137.09552	1.5
142.07716	1.8
143.08502	5.0
145.10095	7.2
147.08000	3.1
147.11655	19.4
149.09526	5.0
151.11209	1.2
152.10046	0.9
157.10077	6.4
158.10439	1.2
159.11711	1.8
161.09537	3.4
161.13228	6.2
163.11107	1.9
165.09091	1.3
165.12680	1.2
169.10133	1.5
171.11655	12.7
175.11168	4.6
177.05373	2.7
189.11241	1.2
189.12720	5.0
193.12183	10.3
205.12315	1.1
207.13771	13.8
211.13167	1.4
235.13116	1.0
249.14784	1.3
267.15872	37.6
268.16306	1.4
281.17416	41.9
282.17615	1.2
297.86057	1.2
315.04913	3.2
345.09631	5.9
346.09912	1.1
421.25684	2.2
430.74561	1.1
447.27286	1.6
455.27954	1.1
472.34229	1.1
473.28937	100.0
474.29117	5.2
491.29813	1.6
515.29828	1.6
585.14233	1.3
615.18243	3.6
641.16003	1.5
646.73431	1.2
720.40936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.9
67.88931	0.7
69.03352	0.6
70.74702	1.2
70.75035	0.8
79.05482	0.9
81.03398	0.9
81.07001	0.7
83.85040	0.6
91.05423	1.2
93.06989	0.8
95.01282	0.8
97.02826	2.1
101.30907	0.6
103.05422	0.8
105.07027	0.9
106.96618	0.7
107.04890	1.9
121.06423	1.2
121.10176	0.9
123.04341	1.0
125.05910	1.0
127.03920	0.6
131.08527	0.8
135.04311	0.7
136.05090	0.9
137.05913	2.6
139.03957	0.9
141.01785	0.7
145.02795	1.8
147.04355	1.7
149.05867	1.9
151.07495	4.1
153.01758	2.3
153.05391	1.2
157.06436	0.6
161.05908	1.3
163.03842	2.8
164.04538	0.6
167.06958	2.4
177.05431	4.5
178.06227	7.2
179.03398	0.8
179.06900	1.9
181.08543	2.7
189.01817	0.9
189.09172	0.8
190.06169	0.7
191.03343	2.2
191.06964	2.9
195.06459	1.4
201.05444	1.2
202.05974	0.7
205.04912	3.3
213.05411	1.4
215.03221	0.7
217.04764	0.8
219.06447	1.2
229.04947	1.3
230.05313	0.8
231.06425	2.3
241.04901	1.2
243.06497	1.5
244.03674	0.8
245.07913	1.5
247.09608	1.1
255.02846	8.6
259.06012	2.2
263.06866	0.8
269.04456	2.8
276.09860	0.8
281.04333	1.3
283.02362	1.7
283.05811	1.9
284.03165	0.9
284.06696	1.0
285.04010	0.8
285.07437	1.6
287.05435	8.2
291.06558	0.8
297.03839	2.5
299.05463	1.3
300.02603	3.1
300.06091	1.3
301.06842	1.1
305.04517	0.8
307.05923	0.6
311.05185	1.0
312.06207	1.5
313.07108	2.0
315.04950	45.5
315.08316	1.9
316.05258	2.5
316.09106	1.2
321.03833	1.0
323.05554	1.1
327.04700	0.7
328.05731	0.8
329.06555	1.7
330.07288	20.7
331.07761	1.2
334.04498	0.8
335.05386	1.3
337.06915	1.4
344.08905	1.2
345.09634	100.0
346.09903	5.4
347.05270	0.9
349.07068	0.9
357.09830	1.1
359.07788	0.8
361.06918	1.0
363.05020	1.6
365.06274	3.0
377.08374	2.3
389.06857	0.8
391.04382	1.6
393.05829	0.9
395.11243	1.3
404.04947	1.1
405.06061	1.1
417.02072	5.9
420.08206	1.5
421.08957	2.6
431.03653	0.9
432.04657	0.9
433.05289	1.3
435.10886	1.0
447.07141	9.9
448.07498	0.7
463.10376	1.5
467.07825	1.1
473.12692	1.2
484.07962	1.1
497.08823	0.9
499.10260	2.2
509.08722	1.9
523.09863	0.9
525.08008	1.2
527.09460	3.9
528.10443	1.0
537.07916	1.9
539.13361	1.3
541.11646	2.0
542.11951	1.0
552.10339	1.2
553.11981	0.7
555.08545	4.6
557.14355	4.8
567.12207	1.8
569.11658	2.6
570.12213	1.2
574.14331	0.7
583.12701	3.3
585.13757	36.8
586.14063	3.4
597.13574	0.8
598.15063	0.9
599.15778	4.1
600.16107	1.5
601.13354	2.1
608.12836	1.1
611.11359	3.0
613.17450	1.1
615.18512	97.3
616.18939	11.8
625.13226	0.9
631.18182	3.1
641.16425	46.8
642.16791	5.5
657.15967	12.0
658.16034	1.3
659.17456	18.3
660.17993	2.7
685.15381	5.2
703.16357	4.2
721.17395	11.0
721.37708	0.8
722.17847	1.4
738.59259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01862	5.0
55.05265	3.1
55.05505	26.8
57.03431	14.5
57.07069	2.0
57.79000	1.8
61.02924	12.4
63.89306	1.7
65.03928	2.7
67.05494	57.1
68.83748	2.0
69.03419	8.4
69.07059	18.3
69.60123	1.8
71.04977	5.5
71.15587	3.2
73.02901	4.8
79.05486	57.6
80.05794	2.0
81.03410	12.2
81.07044	50.8
83.04987	6.8
83.08601	9.4
85.02897	11.7
85.06525	2.8
87.89156	1.8
91.03941	5.3
91.05466	66.0
91.30579	1.6
93.07031	59.8
95.04959	16.4
95.08595	34.8
97.02332	1.8
97.02840	9.3
97.06500	3.7
97.10154	6.2
99.04455	2.0
99.08092	3.2
105.07018	56.1
107.04942	7.4
107.08577	25.5
109.06490	2.3
109.10133	12.2
111.08080	2.5
115.05450	2.5
117.07011	19.7
119.08561	41.1
121.06468	2.5
121.10134	16.1
123.08051	6.1
123.11703	3.2
125.09637	2.6
127.03881	2.9
128.06187	3.3
129.07002	24.5
131.08545	31.8
133.10106	25.3
135.11665	10.7
137.09615	2.6
139.07391	1.9
139.11206	2.0
141.06918	10.0
142.07666	3.4
143.08545	19.9
145.06500	2.4
145.10097	28.2
147.07965	3.1
147.11662	36.1
149.09654	2.7
149.13248	5.8
151.11113	2.5
155.08525	15.5
156.09416	1.8
157.10107	19.9
159.11693	20.6
161.09610	2.0
161.13229	19.9
163.11192	3.1
163.14821	2.3
167.08546	5.7
168.09233	2.2
169.10089	17.2
171.11667	29.9
173.13214	12.8
175.11237	2.0
175.14699	8.9
181.10025	9.1
182.10814	2.0
183.11688	16.4
185.13235	13.0
187.11111	2.6
187.14803	6.8
189.12692	5.8
193.10077	3.6
195.11714	10.7
197.13246	9.5
199.13002	1.8
199.14830	8.7
207.13768	8.0
209.13246	10.1
211.14833	3.3
213.16399	3.2
215.10548	2.4
219.17577	2.5
221.13203	2.1
223.14812	7.2
225.16351	4.1
231.21039	3.6
237.16389	3.3
241.19473	13.4
244.18585	1.8
257.19003	3.2
259.20587	23.5
265.19537	2.8
275.20169	3.9
279.15811	6.8
281.17395	28.1
295.20737	2.1
297.21954	3.7
315.15067	1.8
315.23212	2.9
321.22089	2.1
323.23694	3.0
325.21625	3.1
333.24286	14.7
344.98126	2.4
355.95386	2.0
402.43091	1.8
402.48660	2.4
419.32883	3.1
429.31400	3.3
434.33871	2.3
437.34164	11.3
447.32489	15.7
455.34952	2.5
465.33633	16.8
483.34698	11.3
511.37665	3.0
521.35968	6.7
527.37488	2.4
529.38715	6.8
539.37231	100.0
540.37354	5.9
557.38251	60.1
558.38751	4.6
598.25311	1.9
701.42572	16.3
702.42834	2.6
719.44043	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	719.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
55.01857	6.0
55.05509	25.7
57.03419	12.2
61.02913	9.4
67.05497	67.0
67.44566	3.0
68.95747	3.6
69.03411	11.5
69.07061	24.7
71.04980	5.4
73.02876	4.4
79.05488	60.7
81.03414	15.7
81.07045	61.9
83.04964	12.2
83.08598	12.9
85.02906	16.0
85.06519	5.8
91.03921	5.0
91.05464	71.9
93.07030	59.3
95.04954	14.5
95.08600	42.6
96.09016	3.2
97.02877	14.3
97.06526	8.9
97.10165	5.8
104.32276	3.3
105.07018	56.0
107.04935	8.4
107.08588	31.7
109.06509	7.6
109.10162	11.5
115.05453	3.7
115.34909	3.9
117.06986	18.9
119.08564	45.3
121.06430	3.7
121.10152	17.8
123.08031	8.7
123.11721	3.9
127.03869	5.5
129.07005	27.8
131.08559	35.6
133.10103	31.6
135.11674	13.2
141.06946	9.0
143.08545	23.9
145.06410	5.4
145.10074	29.1
147.11655	37.4
149.13206	7.3
155.08536	12.7
156.09193	3.5
157.10110	20.6
159.08032	3.5
159.11719	23.3
161.09618	4.1
161.13239	21.3
163.11230	6.4
167.08525	11.4
169.10059	17.4
171.11647	25.8
173.13223	16.3
175.11064	4.5
175.14787	8.6
181.10036	15.5
183.11658	17.2
185.09596	5.1
185.13193	15.8
187.14830	8.2
189.12735	7.6
195.11617	9.3
197.13231	12.1
199.14806	10.8
207.13766	12.2
209.13264	9.1
211.14796	8.4
213.16397	6.7
219.17451	6.3
223.14738	4.8
225.16327	7.0
230.10190	3.4
235.14827	6.1
241.19350	18.1
257.18961	5.4
259.20535	30.8
275.20190	5.8
279.15781	4.9
281.17422	33.1
284.02737	3.1
297.22137	4.6
299.23679	5.2
313.27396	3.6
333.24234	6.4
419.33350	4.2
429.30972	4.5
447.32446	20.3
465.33441	13.0
475.35388	3.7
483.34467	13.6
501.35492	4.3
521.36047	11.7
529.38672	11.6
539.37268	100.0
540.37256	11.9
557.38336	61.4
558.38928	4.8
647.38855	4.7
701.42456	15.8
719.43658	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	719.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53306	0.6
71.53647	0.4
77.82367	0.3
81.07037	0.4
84.12410	0.4
94.06587	0.3
117.05746	0.4
118.06534	0.5
120.08130	0.7
125.52425	0.3
158.09706	0.6
195.09192	0.9
197.10672	0.7
197.83926	0.4
204.06517	0.8
208.07890	0.3
208.09924	0.7
209.10733	1.2
210.11497	0.7
211.12303	0.6
212.13054	0.8
221.10646	0.9
222.11578	0.5
223.08640	0.8
223.12317	1.6
224.13011	0.9
225.10181	0.9
225.13750	3.4
226.14629	1.0
234.11333	0.4
235.12343	0.9
237.13844	2.6
238.14606	1.1
239.15454	0.7
247.12395	0.4
249.06935	0.4
249.13844	1.5
251.08136	2.6
265.13248	0.4
269.12866	0.6
270.13531	0.6
275.15387	0.5
283.14542	0.4
287.10703	0.4
297.08517	0.4
301.12177	0.5
309.08691	0.6
314.12744	0.7
316.14444	0.4
330.16226	0.4
337.12082	0.4
339.13455	0.4
340.10831	0.5
340.14709	0.4
342.16315	0.5
354.16187	0.5
368.13669	0.5
380.13797	0.5
389.17694	1.2
390.18484	0.7
399.19775	0.5
401.18042	0.5
402.14597	0.8
403.15332	1.4
403.19800	0.7
404.15808	0.6
404.20410	0.4
405.20749	1.2
412.16330	0.7
415.15579	0.7
416.16486	0.5
417.16992	4.8
418.17471	3.3
419.18478	1.5
419.23209	0.6
426.96115	0.4
429.17212	0.6
430.18610	0.8
431.18732	2.9
432.19519	3.7
433.20178	4.7
443.18478	0.5
445.16394	1.9
445.21066	0.9
446.20969	1.2
447.21768	11.6
448.22256	1.5
457.19916	0.4
458.17709	1.1
459.16760	0.6
459.21945	1.3
460.18271	0.7
461.19583	1.3
462.20676	0.5
473.19403	0.6
474.20468	0.7
475.21216	24.5
476.21869	4.7
477.23242	0.6
487.21356	0.8
488.18118	0.4
489.23022	1.8
493.22058	0.8
494.22922	0.5
503.20096	3.1
507.23727	1.1
515.20691	0.6
519.23895	1.4
521.25690	0.6
533.25018	0.5
534.26471	0.5
535.23236	16.2
536.23846	1.5
547.23169	2.4
549.24768	1.8
561.24982	7.6
562.25519	4.2
563.26233	3.4
575.22961	0.6
579.25604	0.8
589.24268	0.7
590.24927	1.1
607.25208	1.3
607.43634	0.4
621.27124	10.1
622.27740	100.0
623.28040	9.1
719.34088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01867	0.6
57.03416	0.4
59.40484	0.3
61.02918	6.5
64.36445	0.2
67.05454	0.3
69.03420	1.6
70.95592	0.6
71.01356	0.4
73.02908	1.5
73.44846	0.3
76.97470	0.3
81.03410	1.4
83.04971	0.5
84.08165	0.3
85.02899	5.2
85.07568	0.3
91.03948	2.7
91.05456	0.7
95.04958	0.8
97.02885	3.4
103.05400	0.3
107.01266	0.3
109.02847	0.6
111.04446	0.4
115.03963	0.6
119.04935	0.5
121.02845	1.3
123.04432	2.2
127.03879	1.6
131.04886	0.5
137.02327	34.4
137.03386	2.0
137.05896	0.6
138.02852	0.3
138.15440	0.3
143.04872	0.4
145.02838	0.5
145.06487	0.3
147.04410	1.5
149.02411	0.5
153.01845	0.4
155.04898	0.3
159.50908	0.3
161.02365	0.3
161.05983	1.3
163.03911	2.3
164.74240	0.3
165.01813	0.5
171.04414	0.3
175.03891	0.6
177.05429	0.5
179.07080	0.5
183.04407	0.5
185.05971	0.5
187.03920	0.9
189.05515	1.3
189.07051	0.4
191.03409	1.0
199.03790	0.7
201.05446	0.8
203.03496	0.6
205.04968	0.5
207.02910	0.7
211.03842	0.3
213.05478	1.1
215.03398	1.0
216.04289	0.5
217.04909	0.5
219.03014	0.3
225.05556	0.3
228.04118	0.5
229.04977	2.4
230.05675	1.0
231.06403	0.4
237.05453	0.4
239.03407	0.5
241.04956	1.1
243.02888	0.6
243.92258	0.4
245.04390	0.7
247.07512	0.4
253.04994	0.8
255.02855	0.8
257.04413	2.7
261.04111	0.3
265.05002	0.3
269.04474	1.3
271.02411	1.5
273.03812	1.3
274.04565	0.5
279.02863	0.6
281.04489	1.1
283.02716	0.5
283.05994	0.7
285.03943	0.7
293.07968	0.3
299.05334	0.4
301.03412	1.3
302.04132	2.3
303.04846	6.0
308.06833	0.3
309.03882	0.6
309.07330	0.4
315.06290	0.4
321.04205	0.4
321.07422	0.6
325.03479	0.8
329.07892	0.3
331.06104	0.8
333.07529	1.1
335.05600	0.4
337.07190	0.6
339.05029	0.6
345.07434	0.4
349.07065	1.1
351.08676	1.3
355.05792	0.5
357.07663	0.6
359.05484	0.5
360.06186	0.4
361.07056	1.3
363.04913	0.6
365.06543	1.1
367.08301	0.7
373.07339	0.6
375.08752	0.4
377.06470	3.1
379.08429	0.6
385.07050	0.3
387.04944	0.4
389.06683	1.2
393.05685	1.3
401.06766	0.8
403.08109	1.0
405.05872	3.1
406.06729	2.2
407.07480	5.4
407.12311	0.4
409.05478	0.8
410.06396	0.9
411.10757	2.2
419.07513	1.0
420.08502	0.3
421.05374	7.7
422.05960	0.4
423.06973	3.6
429.06076	1.4
431.07574	1.2
433.05502	3.0
434.06207	0.5
437.43106	0.3
438.09174	0.5
442.39481	0.3
447.06775	1.9
449.08627	1.6
451.06671	0.9
453.07950	2.1
457.05600	1.1
459.07007	1.4
465.08090	1.1
467.09686	27.8
468.09970	1.3
475.06497	7.1
477.08038	2.2
479.06000	1.5
483.08801	0.5
493.07611	4.0
495.09152	0.5
497.07169	1.5
503.06003	3.1
511.08612	3.8
521.07080	4.9
539.08154	8.8
557.09198	100.0
558.09589	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	718.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56041	0.7
53.03924	2.8
55.01865	5.1
55.05504	18.6
57.03425	12.7
57.07055	1.8
57.92777	0.9
59.04996	5.4
61.02913	3.7
63.54186	0.8
65.03912	2.8
67.05494	100.0
68.05820	1.1
68.90387	0.9
69.03421	5.9
69.07059	18.4
69.60898	2.4
69.61316	4.3
71.04990	6.3
71.08592	0.9
75.94243	0.7
77.03916	1.1
79.05482	25.4
80.05834	0.9
80.38509	0.8
81.03030	0.8
81.03415	9.0
81.07044	44.9
83.04977	5.2
83.08605	12.6
85.02888	6.1
85.06535	4.1
87.04453	1.1
91.03938	1.7
91.05466	25.6
93.07034	27.1
95.04957	6.7
95.08591	21.0
97.02896	4.9
97.06506	8.4
97.10162	7.3
99.08058	2.2
101.05980	0.9
103.05467	2.0
105.06339	1.4
105.07014	18.5
106.07370	1.0
107.04908	4.5
107.08579	20.8
109.02857	2.0
109.06512	4.1
109.10139	72.6
110.10443	1.2
111.04460	1.3
111.08070	6.6
115.05431	1.1
117.06982	10.2
119.08553	16.8
121.06499	2.5
121.10136	6.8
123.08035	2.2
123.11682	2.4
125.09596	6.9
127.03899	4.5
129.05473	1.2
129.06955	4.0
131.08556	12.2
133.06548	0.8
133.10109	10.4
135.08034	3.1
135.11685	7.5
137.09605	5.3
141.06931	1.2
143.08551	2.2
145.06413	1.1
145.10101	8.5
147.07991	1.0
147.11674	7.2
148.12039	1.0
149.09621	8.8
149.13222	6.4
155.08556	1.2
155.10629	2.9
157.10081	2.7
159.07999	1.1
159.11642	7.0
161.09578	0.9
161.13208	3.1
163.11159	4.6
165.12715	1.1
169.10138	1.3
171.11653	2.0
172.12012	0.8
173.04436	2.4
173.09541	1.4
173.10057	1.3
173.11731	22.0
173.13278	3.8
177.12714	1.9
179.14314	1.5
183.11661	1.6
187.11133	1.6
189.11191	2.7
191.68512	0.8
195.13792	2.8
197.13202	1.7
199.14801	1.0
211.13191	1.3
227.12753	13.0
229.14317	72.9
230.14716	1.2
239.17932	1.8
247.20432	1.7
253.14473	1.1
255.15793	4.3
257.18958	7.3
267.15921	1.3
269.17429	11.2
275.20016	21.8
325.20001	1.4
331.22495	2.6
345.09586	2.3
349.23682	19.7
350.23990	1.1
367.24603	1.7
383.24313	1.2
399.23706	4.2
407.27750	2.0
407.78323	0.9
409.25806	17.4
413.21448	1.3
423.27365	59.6
424.27792	2.8
463.30493	1.1
485.32913	1.0
503.33591	29.3
504.33871	1.1
521.34979	6.0
556.37207	1.5
567.31384	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	717.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04933	1.9
51.02385	2.1
53.03934	13.8
55.01863	12.4
55.05499	35.2
57.03424	12.4
57.07066	2.2
61.02911	3.1
65.03927	5.9
67.05492	99.3
69.03426	28.6
69.07057	28.7
71.01346	3.7
71.04985	12.8
73.02919	3.1
73.06547	3.8
79.05482	97.0
81.03403	67.9
81.07045	87.0
83.04965	24.9
83.08598	10.3
85.02871	15.4
85.06526	4.8
91.05465	100.0
93.07028	84.8
95.04964	32.0
95.08592	51.9
97.02876	19.8
97.06522	15.3
97.10152	7.8
98.20697	5.7
99.04450	11.7
99.08090	3.5
103.05437	3.5
105.04542	2.9
105.07015	76.2
107.04935	18.1
107.08567	42.6
109.02868	11.4
109.06508	12.8
109.10132	26.9
111.04429	6.1
111.08076	4.6
115.05422	5.2
116.06242	3.0
117.07001	26.0
119.08568	49.5
121.06487	6.3
121.10123	21.2
123.04376	2.5
123.08044	10.5
123.11697	4.1
125.09604	7.1
125.24187	2.0
127.03891	15.1
128.06213	8.5
129.05486	2.9
129.06981	28.3
130.07774	2.2
131.08536	34.8
133.06520	5.2
133.10100	36.3
135.04445	2.3
135.08070	8.7
135.11684	13.5
136.06113	2.1
137.05986	2.0
137.09586	5.9
141.06961	8.2
142.07770	2.9
143.08537	20.2
145.06477	7.8
145.10106	29.3
147.08060	7.7
147.11668	41.5
149.09544	16.3
149.13255	5.8
151.11140	5.9
153.06979	3.4
155.08507	8.4
157.06465	4.2
157.10110	10.9
159.08134	2.8
159.11659	20.3
161.05931	3.7
161.09650	9.5
161.13206	16.0
163.11156	9.9
165.12750	3.1
167.08461	4.3
169.10086	12.2
171.11661	28.5
173.04436	20.7
173.09697	5.4
173.11798	3.2
173.13263	9.0
175.11177	4.4
177.12697	7.2
179.14330	4.1
181.09972	3.6
183.11664	7.9
185.09673	3.0
185.13181	4.5
187.11209	6.5
189.11215	4.1
189.12749	11.0
195.11652	2.6
197.13287	5.9
199.05940	4.1
201.12700	2.8
204.19798	2.3
207.11810	3.7
207.13762	23.8
221.13326	2.6
225.14809	4.1
227.12720	2.5
229.14372	2.9
229.19530	4.7
231.17194	2.2
233.15384	2.2
239.17937	6.9
241.10638	2.7
241.44376	2.2
247.20610	7.4
251.14607	2.4
253.14331	2.4
254.14598	3.1
257.19000	18.4
267.15973	3.0
273.18588	4.1
275.20029	69.2
276.20486	2.5
279.16138	2.8
281.17447	33.6
287.16464	4.5
293.21103	6.8
331.22662	4.3
349.23773	20.7
351.17801	3.2
361.20013	2.5
365.21350	2.2
383.21948	3.0
419.24301	5.0
475.30441	4.3
478.67087	2.5
481.33148	3.0
527.37317	5.1
537.35437	8.4
555.36731	45.1
556.37097	3.5
573.37756	3.9
617.37878	2.4
619.34613	2.4
681.39056	5.0
699.41064	5.5
717.42932	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	716.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01852	3.3
55.05256	1.0
55.05506	18.1
55.45669	0.8
57.03426	9.0
57.07059	1.6
59.04980	3.4
61.02901	2.4
65.03928	1.9
67.05495	79.7
68.05800	1.0
69.03425	9.0
69.06704	1.4
69.07058	21.4
70.32738	2.0
71.04983	3.6
73.02909	0.9
79.05483	16.0
81.03407	4.3
81.07045	21.5
83.04971	3.7
83.08617	10.8
84.08080	0.7
85.02895	2.8
85.06523	1.3
85.47111	0.8
91.03952	1.7
91.05470	16.7
93.07031	15.3
95.04943	6.0
95.08595	13.6
97.02878	9.2
97.06505	3.1
97.10157	8.8
103.05464	1.1
105.07011	12.4
106.21991	0.9
107.04952	4.6
107.08582	11.1
109.02884	1.0
109.06477	2.7
109.10140	66.5
111.04411	0.8
111.08063	4.5
115.05431	0.7
116.40206	0.9
117.06980	3.9
119.04884	1.4
119.08571	13.6
121.06485	2.0
121.10129	5.1
123.08037	2.8
123.11700	0.8
125.09626	7.2
127.04012	0.8
128.06169	1.2
129.06969	3.2
131.08556	7.5
133.06474	2.8
133.10104	6.6
135.08080	3.6
135.11696	2.7
136.06145	1.1
137.09607	4.8
142.07710	1.0
143.08524	1.9
145.10115	4.4
147.08017	5.2
147.11697	2.6
149.09590	1.4
149.13263	1.7
151.11165	1.8
153.09102	1.2
155.10663	2.6
157.10121	1.7
159.11684	2.3
161.09616	2.1
161.13210	1.0
163.11171	1.9
165.09138	1.3
167.08583	0.8
171.11639	1.8
173.11729	19.0
175.11186	1.6
184.17528	0.7
185.13280	0.9
189.11238	4.0
193.12222	1.2
195.13782	0.9
198.14909	0.8
205.12108	1.1
211.13187	1.9
221.11853	1.0
223.13251	15.3
227.12718	3.7
229.14319	72.4
230.14706	1.4
230.51700	0.8
245.19043	1.6
249.14900	2.6
253.14323	3.8
255.17551	1.0
263.19913	1.0
267.15927	1.7
273.18469	13.4
291.19504	94.9
292.19907	3.1
315.05051	1.0
345.09702	1.3
347.22305	2.6
365.23184	37.5
366.23517	0.8
399.23676	1.5
421.25739	1.2
439.26941	3.2
451.27148	1.0
501.32004	2.4
519.33130	100.0
520.33447	5.0
537.34247	1.0
635.70825	1.0
717.25098	4.0
717.45160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.22733	0.6
55.05503	6.5
56.05042	3.9
56.05305	0.8
57.07058	2.5
60.04503	2.2
67.05493	9.5
68.04984	0.9
69.03401	1.2
69.07058	8.3
70.06577	2.0
70.79971	2.5
71.08627	1.4
79.05482	10.9
80.05006	1.7
81.05795	1.6
81.07046	8.7
82.06574	6.5
83.08612	5.5
85.02898	1.8
91.05463	8.7
91.71945	0.6
93.07034	10.5
94.06558	17.7
95.04945	1.5
95.07336	8.4
95.07937	0.8
95.08045	0.8
95.08579	6.4
96.08129	4.7
97.10144	2.5
98.06059	0.9
105.07002	4.7
107.08559	3.6
108.08086	2.4
109.10117	3.0
119.08549	4.7
121.10142	5.0
122.09652	1.9
123.11697	1.5
133.10117	2.8
135.10416	0.7
135.11661	2.4
136.11160	0.8
147.11710	1.2
149.13275	1.1
161.13174	0.7
167.04539	0.7
169.16609	0.7
223.10802	0.7
233.22603	3.8
245.22639	5.3
250.25256	6.4
262.25275	100.0
263.25623	2.5
272.25784	5.7
280.26358	8.2
312.25299	1.1
464.01538	0.8
504.47745	5.8
516.47717	31.1
517.48077	1.8
518.49506	5.1
534.48749	18.1
535.49048	1.6
617.24731	0.8
692.66821	1.0
696.54211	4.1
697.54779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.05507	4.6
55.34236	0.5
56.05043	3.2
57.07065	2.5
58.06572	0.8
60.04530	2.8
60.04779	0.5
65.03911	0.9
67.05146	0.8
67.05497	10.4
68.05013	1.0
69.03397	1.1
69.06762	0.5
69.07066	7.0
70.06565	1.2
70.35402	0.6
70.92488	1.4
71.08619	2.0
75.70188	0.5
77.78366	0.5
79.05484	8.6
80.04999	1.9
81.03417	0.6
81.05775	1.4
81.07046	8.9
82.06561	6.1
83.08590	4.0
83.52068	0.5
85.02884	1.8
85.10155	0.7
88.98640	0.5
91.05474	7.4
93.05774	0.6
93.07036	7.9
94.06557	16.2
95.04948	1.2
95.07339	7.4
95.08594	7.7
95.54155	0.5
96.08121	5.4
97.02874	1.2
97.10165	2.9
100.07635	0.6
103.42626	0.5
105.07016	5.0
107.08572	4.1
108.08099	1.9
109.10145	2.6
111.11716	0.6
119.08562	5.0
121.06489	0.5
121.10143	6.1
122.09621	2.1
123.11675	1.2
124.11233	0.6
133.10127	3.7
135.11702	2.6
136.11194	0.6
137.13199	0.8
147.11659	0.8
149.13225	1.6
161.13182	0.5
166.41017	0.6
191.17828	0.5
193.19449	0.5
205.19432	0.5
226.47191	0.4
233.22537	3.2
234.22232	0.7
245.22577	4.3
250.25267	6.4
253.73857	0.5
254.24719	0.8
262.25269	100.0
263.25748	2.9
272.25836	5.3
280.26312	7.6
305.80328	0.5
312.25409	0.8
314.26675	0.5
504.47800	5.0
516.47717	24.9
517.48181	1.6
518.49109	5.1
534.48773	17.0
535.49426	0.9
696.53821	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	716.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57758	0.1
53.53099	0.1
56.56897	0.1
56.96545	0.2
57.03421	0.1
58.01448	0.6
61.02918	0.1
68.03521	0.1
69.03424	0.5
70.06551	0.1
71.59926	0.2
71.60312	0.1
76.02478	0.3
76.81654	0.1
77.00904	0.2
78.56583	0.1
80.22243	0.1
84.08143	0.1
85.02900	0.7
97.02879	0.6
98.97569	0.3
101.00829	0.1
102.04020	0.1
103.02435	0.3
108.24769	0.1
112.02484	0.2
115.02400	0.4
116.98606	0.2
119.01910	0.7
121.03489	0.2
124.07644	0.1
127.00750	0.2
127.03897	0.5
128.05519	0.1
128.98561	0.2
129.03957	0.7
130.00247	0.1
130.03456	0.8
130.07108	0.7
131.01904	0.2
131.05527	3.9
132.73709	0.1
133.03458	0.7
136.00215	0.1
137.02931	0.1
139.00761	0.5
142.63541	0.1
143.01848	0.8
145.00742	0.6
145.03470	0.6
145.04926	0.3
145.50842	0.2
146.00658	0.2
146.99637	0.2
147.05075	1.2
148.04503	1.8
148.08168	1.6
149.06578	10.1
150.06689	0.3
151.00780	0.3
151.50883	0.2
153.52083	0.1
154.01280	0.4
154.03471	0.3
154.07120	0.1
154.51334	0.1
155.01854	0.6
157.03423	0.3
158.03036	0.4
158.06570	0.7
159.04971	0.2
160.01283	0.5
160.51353	0.3
161.01199	0.2
161.02917	1.4
162.03093	0.2
163.04488	0.1
166.01262	0.4
166.05589	2.1
169.01862	0.2
169.03439	0.2
169.51997	0.2
170.01700	0.2
170.06683	0.3
171.06125	0.3
172.01314	0.3
172.04494	1.1
172.08171	0.2
172.51584	0.1
173.02936	2.0
174.02979	0.1
174.06116	0.7
175.04512	0.2
175.08113	0.2
176.03983	0.6
176.07692	1.4
177.00699	0.3
177.05554	0.3
181.01785	0.5
181.51843	0.4
182.01900	0.2
184.04556	0.7
184.08051	1.1
185.03070	0.6
185.06595	0.4
186.06123	0.2
187.01837	0.2
187.04523	0.3
187.08159	0.2
187.51915	0.2
188.01695	0.2
188.07664	0.6
189.00691	0.3
190.02367	0.3
190.05579	1.8
190.52412	0.2
191.02277	0.2
191.03983	0.4
191.05701	0.2
192.03568	0.1
192.07153	0.6
194.06653	0.2
196.02309	0.4
196.04526	0.3
196.52371	0.2
197.02992	0.3
197.06606	0.3
199.07892	0.2
200.04469	0.1
201.00725	0.2
202.02370	0.4
202.09219	24.1
202.52467	0.3
203.02252	0.2
203.04016	0.4
203.07582	0.4
203.09416	0.8
204.03699	0.2
204.07162	0.3
206.08635	0.3
207.01753	0.2
211.02798	0.5
211.53040	0.2
212.02528	0.2
212.04239	0.2
212.07680	1.3
213.04272	0.2
213.06029	0.3
214.05585	1.9
215.04027	0.3
215.05817	0.1
215.07622	2.7
216.07376	0.2
219.01703	0.1
220.10271	29.1
221.05005	0.2
221.10431	1.1
223.53136	0.2
224.07613	0.2
225.10878	0.2
226.05583	1.6
226.09184	0.2
227.04004	0.3
227.07585	1.1
230.05182	0.3
230.08705	3.2
231.05280	0.3
231.08981	0.2
232.03410	0.7
232.06638	5.5
232.10022	0.6
232.53639	0.5
232.99820	0.1
233.03371	0.4
233.06664	0.2
233.08713	1.2
238.09419	0.2
242.08644	1.8
243.11905	1.3
244.06674	1.3
244.10229	0.2
245.05074	0.9
245.08691	2.2
246.05276	0.3
247.04037	0.3
250.07692	0.1
254.08797	0.1
255.05350	0.3
255.08232	0.3
256.10272	0.1
257.08603	0.2
260.09763	26.8
261.09912	1.1
262.04483	0.3
262.07669	0.8
262.11386	0.2
262.54474	0.2
268.10339	0.2
272.09717	0.7
274.11185	0.8
275.09720	0.6
276.07355	0.2
278.08084	0.2
278.10846	1.2
283.05008	0.2
283.11374	1.7
283.55167	0.3
284.04926	0.1
284.09570	0.2
284.99252	0.1
285.55893	0.1
287.08069	0.2
291.07523	0.3
292.05383	0.8
292.55484	0.7
293.05435	0.7
298.11215	0.2
302.10815	0.6
305.07074	0.1
320.11868	0.2
326.10614	0.1
328.12460	0.3
337.09882	0.2
338.10638	0.3
346.13409	8.0
347.13620	0.4
349.09738	0.1
356.11917	0.2
362.10806	0.2
373.08398	0.3
373.58325	0.5
374.12897	100.0
375.08755	0.3
375.13199	4.7
390.10742	1.1
408.11734	0.1
545.09308	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	714.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01871	0.4
55.05497	0.3
56.19565	0.2
57.03431	0.2
60.88555	0.2
61.02911	1.3
63.02365	0.5
65.03928	0.2
67.05494	0.9
68.46244	0.2
68.99779	1.6
69.03424	1.2
69.07056	0.3
69.42001	1.9
71.01340	0.4
71.04969	0.2
77.03860	0.2
77.35409	0.2
78.04682	0.2
79.05073	0.2
79.05460	1.0
79.53758	0.2
81.03404	1.2
81.07037	1.1
83.01337	0.2
83.08614	0.2
85.02883	0.6
87.00809	0.5
89.03353	0.4
89.03896	4.6
91.05450	1.2
93.07027	0.5
95.04956	0.7
95.08573	0.5
97.02869	0.5
97.06585	0.2
102.71040	0.2
103.05439	0.4
105.07005	0.6
106.04117	0.3
107.04947	0.3
107.08575	0.4
109.02164	0.3
109.02860	3.4
109.06528	0.2
109.10187	0.3
112.69231	0.2
113.06027	0.2
115.05423	0.4
117.03355	17.2
117.06989	0.3
118.03667	0.3
119.04960	0.4
119.08530	0.4
119.59565	0.2
121.06509	0.4
121.10077	0.4
123.04400	2.8
124.05205	0.3
127.03036	0.2
127.03870	1.1
128.06187	0.3
129.01807	1.9
129.04433	0.2
129.06996	0.5
131.04890	0.8
131.08466	0.3
133.10130	0.3
134.03586	1.1
135.04382	1.5
137.05952	5.1
141.06906	0.3
143.08508	0.3
144.05653	0.4
145.02818	51.9
146.03139	1.3
147.02875	0.8
147.04362	1.7
147.11647	0.4
149.05945	6.9
151.03874	0.4
151.07591	0.3
155.04890	0.5
156.05591	0.2
157.06451	0.8
158.05989	0.3
159.04378	0.5
159.08012	0.3
160.05125	0.2
161.05989	0.6
162.03044	0.2
163.03894	0.7
163.07527	0.7
169.06438	0.4
171.04471	0.2
171.08025	0.6
172.05165	0.6
172.87259	0.2
173.05952	0.8
174.06715	0.7
175.03883	0.3
175.07556	0.8
177.05432	100.0
178.05765	2.3
179.03450	0.3
181.06441	0.3
183.04317	0.5
184.05182	0.4
185.05975	0.5
186.05449	2.4
187.07463	1.5
188.07896	0.2
189.05464	1.0
191.06993	0.4
195.06442	0.4
195.08141	0.2
197.05975	0.4
198.06789	0.3
199.07506	1.3
200.04564	0.3
201.05464	1.4
202.06114	0.2
203.06996	0.5
205.08408	0.3
211.03807	0.2
211.07462	0.2
213.03867	0.3
215.06996	3.7
216.07579	0.4
217.08549	1.1
219.06427	1.4
225.05489	0.5
227.07034	0.2
228.04138	0.3
229.04951	0.3
229.08629	0.6
231.02725	0.2
231.06531	1.0
233.08066	2.3
241.08548	0.7
242.05667	0.3
243.06502	2.5
245.08081	0.6
255.06587	0.4
257.08060	1.9
261.07532	24.6
262.07840	0.6
267.16010	0.3
270.05252	0.3
273.11148	0.6
285.07550	4.4
285.10922	0.3
291.08670	0.2
297.11258	0.8
303.08582	5.1
304.08887	0.2
310.91101	0.2
321.09567	0.6
323.12714	1.0
330.07465	0.2
337.10626	0.3
339.12384	0.4
341.10022	0.4
345.09647	0.5
351.12112	0.2
355.11896	0.3
363.11957	0.2
367.11533	0.2
381.13086	0.4
389.08762	0.7
395.09744	0.3
407.09662	4.7
425.10699	47.1
426.11029	1.6
473.15863	1.6
477.15637	0.4
491.17001	0.9
507.19507	0.2
550.63818	0.2
557.17480	0.2
713.36768	0.2
714.36005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82394	0.1
53.03932	0.1
53.04850	0.1
53.59460	0.1
55.01853	0.1
55.05491	0.2
57.03426	1.4
59.04983	0.2
61.02908	0.4
65.03937	0.2
68.99776	0.1
69.03419	1.9
70.06570	0.1
70.27828	0.2
70.28220	0.2
71.01338	0.2
71.04983	4.8
73.02904	0.4
75.04459	0.2
79.05482	0.1
81.03398	0.2
83.04966	0.7
84.08105	0.1
85.02892	6.8
87.04452	1.0
91.03921	0.2
91.05455	0.1
95.04948	0.3
97.02242	0.1
97.02875	2.0
98.58527	0.1
99.04444	0.3
100.76385	0.1
101.02355	0.1
105.03363	0.2
107.04926	0.2
109.02859	0.1
111.04439	0.9
113.02274	0.1
113.05993	0.1
115.03915	1.2
115.05461	0.1
117.05455	0.2
120.58102	0.1
121.02847	2.7
121.03699	0.1
123.04410	0.1
125.02376	0.1
127.03878	0.3
129.05455	1.3
130.55481	0.1
131.04930	0.1
131.22420	0.1
133.02821	0.4
133.04945	1.0
135.04388	0.2
137.02312	2.4
139.03889	0.1
141.06932	0.2
145.04953	0.2
147.04391	0.3
147.06499	0.6
147.07948	0.1
149.02318	1.4
150.05534	0.1
151.03876	0.2
151.07599	0.1
153.05417	0.1
153.06876	0.1
167.03398	0.3
169.05112	0.1
169.06421	0.5
171.06503	0.2
173.05971	0.1
177.05441	0.1
181.06453	0.2
187.07515	0.1
197.05966	1.3
207.06358	0.1
213.05437	0.2
215.07060	0.9
225.05444	0.7
225.07607	0.2
227.06805	0.1
241.04906	0.2
242.05731	0.6
243.06387	0.4
253.04948	0.2
261.09680	0.3
269.04346	0.1
271.05960	100.0
272.06299	2.4
273.03619	0.1
285.07471	0.1
301.07013	1.1
317.06543	0.1
331.07919	0.1
345.09851	0.1
433.11258	3.0
515.57819	0.1
570.27118	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	711.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03932	2.2
55.01854	2.0
55.05494	3.3
57.03419	3.3
60.23465	1.6
67.05499	8.0
68.99780	2.6
69.03423	3.5
69.07040	5.3
69.07391	1.4
69.36127	14.9
69.36544	3.3
70.06576	2.5
71.04982	2.0
79.05485	9.8
81.03401	7.6
81.07052	10.2
83.04948	4.2
83.08594	4.2
85.02905	4.2
89.03906	2.5
91.05459	9.6
93.07022	6.1
94.07349	1.9
95.04935	7.5
95.08575	4.1
97.02872	12.7
97.06530	10.1
99.04436	1.8
103.05411	2.3
105.03371	5.9
105.07006	5.8
107.04915	4.1
107.08554	5.7
109.02866	3.7
109.06483	2.9
109.10133	4.9
111.08066	2.0
115.05431	2.3
117.03359	3.9
117.06966	2.1
119.04936	3.2
119.08557	4.9
121.02831	2.5
121.06512	2.0
121.10103	4.2
123.04397	2.2
124.05127	2.0
125.05914	1.7
125.09597	2.0
127.03917	2.5
131.04945	1.5
131.08450	2.4
133.02921	2.1
133.06468	3.4
133.10107	3.1
135.04358	5.0
135.11641	2.1
137.02303	1.5
137.05942	4.2
137.09566	2.7
139.07526	3.3
145.02832	9.8
145.06429	1.9
146.03084	1.8
147.04402	11.8
147.11661	3.1
148.04987	1.7
149.02313	2.1
149.05984	4.6
151.03845	2.2
151.07494	6.4
153.05424	7.4
157.06512	2.1
157.10156	2.1
161.05934	4.7
161.09602	1.6
162.06680	2.1
163.03839	9.2
163.11060	1.8
164.04648	1.7
165.05476	2.9
165.09097	5.3
167.03355	2.3
167.07024	15.2
168.00525	1.8
168.07759	5.9
171.04446	1.9
173.05925	2.9
174.03079	2.1
175.03828	2.6
175.07497	1.8
175.11098	2.1
177.05440	20.2
178.06247	13.1
179.06982	6.2
180.07959	1.5
181.04962	2.2
181.07068	1.7
181.08511	11.6
185.05843	3.0
186.01518	2.8
189.09215	1.5
191.03345	10.4
191.07004	8.4
193.08617	7.5
193.12120	2.9
194.09280	3.2
194.62427	1.7
195.06494	6.5
195.10072	3.7
199.03859	5.0
199.07463	2.2
201.05424	2.8
203.03423	2.3
204.04193	2.0
205.04886	4.5
207.06371	2.3
208.03622	6.1
210.08900	5.7
211.03828	3.2
211.07553	2.8
213.05334	5.0
215.03387	3.8
215.06985	2.0
225.09090	1.9
227.03339	4.8
229.04924	8.1
229.08595	1.8
241.04875	2.4
241.08598	1.8
243.02878	4.0
244.03555	3.6
245.04308	3.8
253.04802	1.8
255.02702	2.1
257.04422	16.2
259.02371	4.5
259.06012	3.5
260.03015	1.8
261.03677	2.7
261.07446	2.7
267.02893	1.8
269.04526	2.5
271.02322	4.4
271.05972	3.0
273.00357	4.5
273.03922	13.2
283.02448	1.9
283.05954	3.1
285.03839	5.4
285.07507	8.8
286.04883	1.6
286.07852	6.3
287.01950	3.7
287.05319	3.4
287.08383	3.2
288.02545	8.9
289.03366	4.7
290.04062	2.3
297.04013	2.6
297.07233	2.2
299.05453	1.9
301.06915	3.7
305.02936	1.6
306.03717	3.8
313.03366	3.1
315.04745	8.0
316.05670	4.8
329.06564	5.8
330.07089	2.6
331.04428	4.4
331.08020	3.1
344.08951	2.7
345.09711	11.1
346.06772	6.4
355.08072	2.4
359.07339	3.3
359.11310	7.6
361.09177	44.7
362.09500	2.5
385.12753	2.3
421.09158	2.7
425.11804	3.4
432.08127	2.2
433.04999	3.7
435.06686	3.6
437.08594	3.8
449.08737	4.2
450.09106	2.1
451.10135	4.6
452.10922	1.9
463.10330	12.1
464.10980	2.4
465.11594	2.8
466.08762	10.0
467.09238	4.8
481.11270	43.6
482.11813	6.2
493.10803	2.6
495.29745	1.8
505.11307	2.0
507.13205	3.5
511.12161	1.7
525.13812	7.7
552.13324	2.1
555.11292	16.6
579.10876	1.9
595.10156	3.1
596.11517	2.7
597.11902	6.4
603.18512	2.9
613.11859	35.0
614.12604	100.0
615.13354	19.6
621.19226	2.7
675.16473	3.8
693.18152	24.9
693.29291	1.7
694.17853	2.0
711.18671	38.0
711.32343	12.1
712.19104	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	711.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48660	0.1
55.12637	0.1
64.66083	0.1
65.76533	0.0
72.11472	0.0
77.17711	0.1
79.63726	0.1
97.02837	0.1
131.04909	0.1
143.08572	0.1
241.04955	0.1
287.05502	0.8
337.03052	0.8
343.53619	0.1
345.09537	0.1
352.05457	0.5
366.06808	0.1
367.07816	100.0
368.08179	2.6
375.07605	0.1
375.57318	0.1
385.08832	0.6
386.65686	0.1
408.10532	1.5
413.31674	0.1
681.11224	0.1
693.17737	0.2
711.15631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85097	0.4
55.01827	0.6
57.07061	0.8
65.03933	1.0
67.05492	4.2
68.99773	3.1
69.03427	0.8
69.07072	0.8
69.41101	0.6
69.41449	4.9
70.06585	0.9
78.04664	0.5
79.05476	1.4
81.03413	0.4
83.04964	1.3
85.02903	1.1
85.06538	1.0
85.91814	0.5
87.04478	0.4
91.05479	3.9
93.07044	0.9
95.01302	0.6
95.04964	1.8
97.02879	1.3
97.06535	0.9
103.05453	2.1
105.03383	0.6
105.07004	0.7
107.04939	4.1
109.14800	0.4
111.04434	0.9
117.03391	0.5
117.07009	0.5
119.04923	3.6
119.08616	0.5
120.27531	0.4
121.06528	1.4
123.04421	1.7
124.05181	0.5
125.05973	0.9
127.03889	1.1
131.04919	1.9
131.08507	0.5
133.02818	0.6
133.06467	1.7
133.10086	0.5
135.04408	2.1
137.02368	0.6
137.05920	2.1
139.00223	2.4
139.07486	0.6
145.02847	0.7
145.10078	0.5
147.04391	6.0
149.02394	1.1
149.05959	1.8
151.07581	1.7
153.00777	0.4
153.01778	2.4
153.05505	0.6
160.05145	1.0
161.02364	0.6
161.05945	3.9
162.06737	1.5
163.03888	4.3
164.04643	1.0
165.05476	0.9
165.09117	1.4
167.07047	2.8
169.01353	0.9
169.76122	0.5
173.06085	0.6
175.03850	3.5
177.05429	5.4
178.06213	10.3
179.03284	1.0
179.06990	3.0
181.05008	0.7
181.08548	0.7
185.00754	0.7
185.05945	0.7
186.01497	0.6
187.03943	0.5
189.05453	0.5
191.03360	2.7
191.07010	5.5
192.07777	1.1
193.05009	1.8
193.08636	2.0
194.09410	1.0
195.06529	1.2
197.05913	0.6
199.03731	0.5
199.07541	0.6
201.05418	0.8
203.03334	0.5
205.04912	2.1
205.08362	0.6
206.05757	1.1
213.05443	1.4
215.06917	0.8
217.04991	1.0
217.08510	0.5
219.06487	0.7
225.05481	0.8
227.03404	0.6
227.06859	0.6
228.04131	0.6
229.05040	1.9
231.02933	1.9
231.06490	0.5
241.04958	1.2
242.05821	0.7
243.02908	0.7
243.06628	0.7
245.04433	1.0
246.05139	2.7
253.04994	0.8
255.03041	0.9
255.06194	0.5
257.04520	2.0
257.08081	0.5
258.05225	1.2
259.02322	1.2
265.04953	0.7
268.03445	0.6
269.04391	3.0
270.05188	1.6
271.02487	1.1
271.05957	1.0
273.04031	1.7
273.07608	1.5
274.04694	7.3
277.03436	0.6
282.01764	0.8
282.05298	0.7
283.02405	1.4
283.06055	1.3
284.03543	0.5
284.06802	1.1
285.03976	2.7
285.07648	1.5
286.01236	1.0
286.04675	2.0
287.05469	3.7
288.06155	1.1
292.05801	1.1
295.06180	0.7
297.03967	5.8
297.07297	0.8
298.04520	3.0
299.02026	1.7
299.05646	1.5
299.31949	0.5
301.03467	6.3
301.07101	8.9
307.05960	0.5
309.07333	0.6
311.05505	1.2
312.06360	3.9
313.03421	8.0
313.07114	7.5
313.10541	0.6
314.04080	4.2
315.05029	3.7
315.08710	1.5
316.05759	6.1
316.09448	3.2
317.06204	0.7
321.07654	0.8
325.06998	0.7
326.07831	0.9
327.05185	0.8
327.08725	0.6
328.05862	1.8
329.02899	2.3
329.06479	26.6
330.07300	1.0
331.08060	25.6
332.08408	1.1
336.09854	2.6
337.10574	0.6
339.08688	2.4
343.04520	0.7
343.08279	1.8
344.05264	0.8
344.08856	10.4
345.09680	1.3
354.10941	4.8
359.07599	9.5
375.08981	0.5
401.06976	0.5
405.05594	0.5
415.08331	1.0
429.06140	0.5
435.10852	0.6
455.07718	0.9
459.07202	0.6
461.08850	0.6
463.10239	1.3
469.05161	0.5
473.08682	1.9
475.09427	0.7
477.11996	0.7
489.07745	5.2
491.10062	0.7
501.11853	0.6
503.08759	0.5
505.11664	0.7
506.12061	0.7
507.09341	1.5
517.11395	2.1
519.12805	40.6
520.13220	2.4
531.16357	1.1
535.11603	0.6
537.13885	27.6
538.14520	1.5
545.10724	0.6
559.15625	0.7
561.17633	0.6
563.11639	2.8
577.16687	0.7
585.17352	0.7
603.18524	2.7
629.16284	0.9
647.17810	0.8
657.15460	0.6
665.18530	2.8
675.16614	2.2
693.17944	20.6
694.18286	1.9
711.19086	100.0
712.19293	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	710.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11637	2.4
51.60855	2.4
53.03934	4.3
55.01853	3.4
55.05503	20.3
57.03421	9.9
57.07088	3.3
59.01575	2.8
61.02931	12.9
67.05496	41.4
69.03421	5.4
69.07072	19.7
70.06601	3.2
71.04990	5.1
71.39743	6.3
73.02917	3.6
75.04432	3.1
79.05482	38.1
81.03409	12.8
81.07048	39.9
82.07364	4.0
83.04964	8.4
83.08611	9.1
85.02900	22.6
91.03957	9.0
91.05466	39.4
93.07034	57.0
95.04939	8.6
95.08584	24.7
97.02885	15.8
97.06516	6.8
98.97557	5.2
99.08080	5.0
105.07018	38.4
107.04938	5.8
107.08589	27.5
109.02841	4.4
109.06507	3.8
109.10144	21.6
109.98116	2.8
111.08079	4.0
117.03389	3.8
117.07010	12.0
119.08568	29.0
121.10138	22.8
123.11679	5.2
125.09662	4.1
127.03879	8.2
127.04758	2.6
129.06999	11.2
131.00111	4.1
131.08568	14.0
133.10107	29.8
135.04440	3.3
135.11696	22.9
143.08556	5.6
145.02856	5.7
145.04886	4.9
145.10112	16.5
147.04401	7.9
147.11668	21.0
149.09650	4.5
149.13257	11.9
157.10074	8.3
159.11693	10.1
161.05980	4.1
161.13298	17.7
163.06004	4.2
163.11159	3.3
163.14798	4.8
165.06903	3.3
165.09106	9.9
166.09439	3.4
167.06927	3.2
169.06464	3.0
171.11670	9.8
173.13246	9.1
175.14777	4.3
177.05446	8.6
178.06169	6.1
185.13190	6.6
189.00739	3.3
199.14807	4.3
229.14203	5.8
241.19537	19.1
259.20551	39.2
261.07736	3.5
267.15958	5.1
269.17404	9.2
277.21744	5.2
285.07571	3.1
301.06924	3.8
312.06146	4.4
313.06879	3.5
315.04935	10.1
321.04977	3.5
330.07388	6.7
333.24289	7.6
344.08817	6.0
345.09549	17.5
351.25259	100.0
352.25446	4.2
361.08987	11.3
377.13925	2.8
423.27289	6.3
441.26172	4.1
459.27179	4.6
463.10101	3.8
495.29337	12.8
513.33875	3.1
679.20020	16.6
687.17072	8.1
688.17413	10.4
689.17603	3.3
693.17883	7.1
710.16345	24.2
711.20306	22.8
711.34424	7.1
719.15649	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	709.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05499	4.8
60.54621	1.1
64.87988	1.1
66.32127	1.2
66.52148	1.2
67.05494	14.4
69.07053	4.8
71.04958	1.3
71.61920	2.2
73.28500	1.2
79.05486	12.5
81.03424	3.1
81.06609	1.7
81.07045	15.2
83.08611	2.5
85.02876	1.7
91.03926	1.5
91.05466	17.6
91.53017	1.5
93.07037	15.8
95.04952	22.0
95.08591	4.8
97.02866	2.5
97.06519	2.8
102.01485	1.2
103.05484	1.8
105.07014	17.0
107.04945	3.4
107.08572	11.4
109.06512	3.8
109.10143	10.7
111.04430	1.6
111.08070	1.3
115.05441	2.6
117.07019	4.6
119.08559	10.6
121.06464	1.9
121.10133	10.7
123.04410	2.6
128.06192	1.4
129.06978	3.7
131.08557	6.6
133.06541	1.2
133.10117	9.5
135.04433	2.7
135.08020	2.8
135.11711	3.6
137.05974	3.5
141.06952	1.8
142.07777	2.4
143.08554	3.6
145.10112	5.4
147.04402	1.8
147.11696	3.8
149.05971	3.3
149.09767	1.6
151.07535	4.0
153.05510	1.8
155.08530	2.5
156.09410	1.5
157.10095	3.5
159.11617	1.6
161.05934	2.4
161.09636	1.5
161.13248	1.1
162.06645	1.4
163.03879	8.3
163.07593	1.5
165.01842	1.9
165.07037	1.9
165.09111	1.8
167.07063	2.5
167.08475	1.3
168.09323	1.7
169.10176	4.1
169.62099	1.2
171.07939	1.3
171.11714	2.8
173.13240	2.8
175.03839	1.7
175.07576	1.7
177.05460	2.1
178.06226	30.9
178.07748	1.8
178.12859	1.2
179.03352	1.7
179.06851	2.6
181.08560	1.6
181.10106	1.9
182.10849	1.2
183.02878	3.4
183.11650	2.6
185.13216	2.1
191.03336	7.0
191.06984	2.4
193.05054	1.8
193.08548	1.9
195.11758	1.9
197.13315	1.9
203.03499	2.3
205.04906	6.0
223.11380	1.4
243.06621	1.4
249.09183	1.7
251.07060	2.3
253.08727	1.2
253.14355	3.3
255.06389	1.8
259.20483	1.3
265.08490	1.5
267.06464	2.5
269.51056	1.4
271.15375	2.5
279.09833	1.5
281.04468	2.2
281.08032	1.5
291.10092	1.5
293.08102	1.9
297.03964	1.6
299.05557	2.7
301.08713	1.3
303.06845	1.2
307.09427	1.5
313.07086	2.2
315.04935	2.8
319.09521	1.5
324.06503	1.7
325.07214	2.8
326.07996	3.8
327.04944	5.8
327.08685	1.2
330.07321	1.6
339.05118	2.4
341.06528	6.6
342.07437	4.1
345.09741	6.2
347.12979	1.3
353.06497	2.8
355.08002	2.3
356.08868	2.0
357.09601	37.4
358.10330	3.0
365.06558	2.5
367.08136	1.5
369.09738	4.5
371.11264	7.5
382.10580	1.3
383.11295	4.7
385.12811	3.7
391.07919	1.8
395.11240	5.9
396.11951	3.6
405.09833	1.7
409.12888	1.5
415.11938	1.9
419.11050	1.9
421.13168	2.8
423.14642	2.9
433.12762	2.2
435.14526	2.1
445.12943	2.0
447.14450	4.5
449.15958	2.1
455.12155	2.1
457.13171	1.9
458.13281	1.8
459.14584	1.7
461.16373	2.1
471.14029	1.5
473.15988	4.6
475.17398	2.0
485.15930	2.5
487.17633	3.5
489.18558	1.6
491.16772	1.5
497.16135	1.5
499.17343	3.9
501.19281	2.4
511.17386	2.5
515.20129	2.3
525.18756	2.8
527.20441	2.9
529.34857	1.4
533.21796	2.2
539.20563	4.3
541.22040	4.3
547.23047	2.2
549.24670	3.6
551.20648	2.2
553.22040	1.7
555.23938	5.8
557.21490	7.1
559.23175	3.9
560.24072	4.4
561.24634	6.1
571.23138	3.1
572.23340	1.9
573.24622	12.3
574.25897	1.7
599.26434	6.3
600.26697	2.4
673.31219	1.6
681.34235	5.0
691.32678	21.7
692.32776	3.0
709.33478	100.0
710.34125	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	709.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01854	0.5
61.02915	1.1
62.01591	0.3
63.02365	0.6
65.03953	0.2
66.36213	0.1
67.05494	0.6
68.99780	1.8
69.03421	1.7
69.07063	0.2
70.32251	0.4
71.01344	0.7
71.04970	0.2
72.22942	0.2
76.59694	0.2
78.04667	0.2
79.05489	0.4
81.03402	1.6
81.07044	0.4
83.04936	0.2
85.02892	0.4
87.00797	0.6
89.03899	6.7
91.05461	1.0
93.07030	0.3
95.04971	0.6
95.08578	0.3
97.02882	0.8
103.05444	0.6
105.03309	0.2
105.07005	0.3
106.04179	0.4
107.04935	0.4
107.08538	0.2
109.02863	5.1
109.10078	0.2
111.04429	0.2
115.05438	0.5
117.03358	23.8
117.06998	0.4
118.03680	0.3
119.04922	0.5
121.06486	0.7
121.10080	0.2
123.04406	0.3
124.05186	0.3
127.03902	0.8
128.06200	0.6
129.01807	1.5
129.06989	1.3
131.04939	1.0
131.08557	0.2
133.06438	0.3
133.10141	0.2
134.03607	1.7
135.04424	1.5
137.02318	3.2
137.05951	1.0
141.06995	0.8
143.04877	0.2
143.08542	0.5
144.05711	0.5
145.02820	70.0
146.03143	0.9
147.02884	1.2
147.04340	1.1
149.02335	0.3
149.05952	8.2
151.03851	0.8
152.06238	0.2
153.06960	0.5
155.04889	1.0
155.05972	0.2
156.05679	0.5
157.06450	1.7
158.05980	0.3
159.04396	0.3
159.08089	0.4
161.05984	0.6
162.03123	0.3
163.03906	0.6
163.07526	0.3
165.09108	0.4
167.04956	0.2
168.05708	0.2
169.06471	1.0
171.04408	0.3
171.08029	0.9
172.05173	1.0
173.05969	0.7
174.06721	0.9
175.03900	0.7
175.07526	0.6
176.04692	0.3
177.05435	100.0
178.05789	1.4
179.03328	0.6
181.06432	0.9
183.04355	0.8
184.05191	0.7
185.05862	0.9
186.05426	1.8
186.06775	0.3
187.03879	0.2
187.07518	2.6
189.05432	1.0
189.09137	0.4
191.07010	0.5
195.06535	0.4
197.05983	0.9
198.06781	0.3
199.07538	2.2
200.04643	0.8
201.05421	2.2
202.06201	0.2
203.06975	0.4
205.04886	0.3
205.08589	0.3
207.06474	0.2
209.05917	0.3
211.03871	0.4
211.07439	0.4
211.13274	0.3
213.03908	0.5
213.05632	0.3
213.09099	0.3
214.06201	0.5
215.06989	5.8
217.04968	0.3
217.08528	2.2
218.05786	0.2
219.06421	0.4
221.04402	0.2
225.05406	3.2
226.06038	0.2
227.06877	0.2
228.04128	0.6
229.04915	0.3
229.08569	2.1
231.06485	1.3
233.08047	4.4
239.06967	0.6
241.08539	1.0
242.05734	0.7
243.06499	4.5
244.06947	0.2
245.08038	0.6
252.04112	0.6
253.04887	0.5
257.08041	4.3
261.07538	32.9
262.07922	0.7
267.06482	0.7
270.05139	0.4
273.07550	0.2
285.07529	32.0
286.07892	0.7
303.08582	7.4
304.08890	0.2
321.09647	0.6
341.73663	0.2
345.09567	0.6
371.07663	0.2
389.08682	0.8
407.09668	4.1
413.73990	0.2
425.10724	7.7
426.11105	0.2
597.05988	0.2
709.15717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.94210	0.3
55.01863	0.6
55.05511	1.1
57.03432	0.5
61.02930	0.8
63.02378	0.4
67.05479	1.8
68.99786	1.6
69.03097	0.3
69.03413	1.8
69.07076	1.2
69.84076	0.3
70.06561	0.3
70.85206	0.7
70.85539	0.6
71.01358	0.7
71.04981	0.4
73.02927	0.4
78.04718	0.4
79.05482	2.1
80.87926	0.3
81.03412	2.8
81.07034	2.5
83.04983	0.7
83.08602	0.7
84.08154	0.4
85.02885	1.8
87.00819	0.7
89.03902	6.2
91.05467	3.1
93.07026	1.7
95.04932	1.9
95.08600	1.3
97.02886	1.7
97.06524	0.9
99.04456	0.4
99.42223	0.3
99.58184	0.4
103.05459	0.7
105.03349	0.4
105.07018	1.5
106.04134	0.4
107.04935	0.8
107.08575	0.8
109.02858	4.9
109.06553	0.5
109.10139	0.9
111.08098	0.4
115.05443	0.7
117.03363	20.9
117.07008	0.6
118.03725	0.4
119.04939	0.9
119.08579	1.0
121.06470	0.7
121.10149	1.2
123.04380	0.8
125.09525	0.4
127.03902	1.3
128.06190	0.6
129.01826	1.2
129.06984	1.4
131.04922	1.2
131.08546	1.1
133.10121	1.2
134.03616	1.4
135.04393	1.7
135.11676	1.0
137.02321	4.1
137.05963	1.4
137.09622	0.4
141.06952	0.9
143.04842	0.4
143.08549	0.9
144.05675	0.7
145.02826	58.8
145.06439	0.9
145.10068	0.6
146.03169	0.9
147.02844	1.0
147.04384	0.8
147.11626	0.9
149.02322	0.4
149.05956	7.1
149.09636	0.5
151.03880	0.9
152.06204	0.4
153.07027	0.6
155.04904	1.0
157.06456	1.5
157.10123	0.7
158.05988	0.7
161.05991	0.9
162.03043	0.4
163.03918	1.0
163.07521	0.9
163.11157	0.8
165.09099	4.2
167.06981	0.8
169.06456	1.1
171.08026	0.7
172.05173	1.1
173.05965	1.2
174.06757	0.9
175.03882	0.8
175.07536	0.8
176.04755	0.4
177.05443	100.0
178.05794	1.7
179.03374	0.5
181.06557	0.6
183.04430	0.9
184.05215	0.7
184.07385	0.4
185.05942	0.7
186.05402	2.0
187.07471	2.7
189.05457	1.7
189.09052	0.5
191.07114	0.4
193.12247	0.9
195.06459	0.5
197.05930	1.2
198.06677	0.5
199.07498	1.9
200.04706	0.9
201.05450	1.8
203.07008	0.4
205.08551	0.5
207.96312	0.3
211.03952	0.6
211.07460	0.3
211.13206	0.4
213.03857	0.6
214.06247	0.6
215.06999	6.7
217.08569	2.8
225.05441	3.1
227.12650	0.4
228.04190	0.6
229.04933	0.5
229.08640	3.2
231.06465	1.3
233.08058	3.7
239.07010	0.5
241.08563	0.8
242.05701	0.9
243.06516	4.2
245.08047	0.5
252.04230	0.5
253.04906	0.9
257.08005	3.9
261.07547	30.1
262.07806	0.8
267.06445	0.7
267.15787	0.9
270.05142	0.6
283.15329	0.7
285.07535	42.8
285.16534	0.8
286.07852	1.4
303.05420	0.6
303.08591	6.8
304.08801	0.4
315.04865	1.1
330.07336	0.5
331.07962	0.4
345.09631	1.8
389.08475	0.8
397.09079	0.5
407.09677	2.5
422.25974	0.4
425.10663	5.1
461.28424	0.4
476.27090	0.4
493.27594	0.5
494.28012	0.8
580.10559	0.9
581.11670	0.7
691.16077	0.5
709.19763	1.6
709.31879	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	709.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.70932	0.2
55.01873	0.3
55.05501	0.6
57.03425	1.1
61.02919	1.0
63.02375	0.5
65.03917	0.3
67.05495	3.1
68.99783	1.4
69.03421	1.5
69.07051	1.1
69.88860	1.6
71.01353	0.8
71.04985	0.4
78.04710	0.4
79.05484	2.5
81.03401	5.8
81.07050	3.9
82.03748	0.3
82.07362	0.3
83.04962	0.4
83.08607	1.5
85.02895	0.6
85.06514	0.4
87.00809	0.7
88.20917	0.2
89.03905	6.4
91.05479	1.7
93.07041	2.3
95.04951	1.7
95.08581	1.0
97.02886	0.9
97.06515	0.3
98.21471	0.4
101.63151	0.2
103.05461	0.6
103.28988	0.3
105.07024	1.2
107.04951	0.5
107.08577	1.1
109.02869	5.7
109.06444	0.3
109.10170	0.3
110.10586	0.2
111.08092	0.3
112.24449	0.3
115.05460	0.4
117.03364	21.1
117.07010	0.6
119.04930	0.4
119.08579	0.7
121.06438	0.3
121.10105	1.0
123.04391	0.7
124.05135	0.4
127.03889	1.0
129.01842	1.4
129.06995	1.3
131.04907	0.9
131.08577	1.0
133.06519	0.4
133.10092	0.5
134.03629	1.1
135.04405	1.2
135.11691	0.3
137.05960	1.2
141.07033	0.5
143.08575	0.7
144.05685	0.5
145.02826	63.6
146.03189	0.6
147.02881	0.8
147.04486	0.3
147.11661	0.5
149.05963	8.0
149.09682	0.2
149.13255	0.8
151.03925	0.7
153.06873	0.3
155.04857	1.0
156.05711	0.3
157.06413	1.4
157.10089	0.3
158.06032	0.4
159.04448	0.3
159.08057	0.3
159.11678	0.6
161.05927	0.6
162.03154	0.5
163.03915	0.7
163.07576	0.4
167.69612	0.3
169.06473	1.0
171.08067	0.6
172.05243	0.6
173.05983	0.9
174.06747	0.6
175.03860	0.5
175.07545	1.1
175.11131	0.6
177.05443	100.0
178.05826	2.0
181.06503	0.5
183.04437	1.2
184.05185	0.6
185.05954	0.8
186.05435	2.3
186.06883	0.3
187.07491	2.3
189.05447	1.4
189.09157	0.4
189.49472	0.3
190.66711	0.2
191.07039	0.8
193.12219	1.1
194.12584	0.4
195.13823	0.4
197.05945	0.6
198.06662	0.4
199.07515	1.7
200.04637	0.8
201.05443	1.9
205.04926	0.3
205.08531	0.3
211.03841	0.5
211.13364	0.4
213.03812	0.3
214.06142	0.5
215.06987	6.7
217.04892	0.4
217.08539	2.3
219.06483	0.5
225.05428	0.6
228.04228	0.6
229.04985	0.6
229.08633	1.1
231.06383	1.4
233.08093	3.7
241.08551	0.9
242.05797	0.6
243.06523	4.5
245.08136	1.0
253.04942	0.5
257.08032	3.5
261.07550	34.7
262.07904	1.0
267.06622	0.3
267.15897	3.5
268.16269	0.7
269.17432	3.2
270.05212	0.5
270.17743	0.8
285.07532	16.5
286.07922	0.4
303.08591	8.2
304.09012	0.3
321.09689	0.5
389.08670	0.9
407.09686	4.6
425.10696	9.5
426.11081	0.3
435.27780	0.3
461.28934	6.2
462.29294	3.6
479.29852	0.3
511.32651	0.4
596.89203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.5
53.03921	1.5
55.01852	1.6
55.02102	0.4
55.05500	4.5
57.03432	5.3
57.07057	0.7
59.04975	0.6
61.02912	1.4
62.71619	0.4
63.02361	0.9
65.03930	0.6
67.05492	15.5
68.99775	1.7
69.03426	3.0
69.07053	5.8
69.67461	0.9
69.67887	1.9
71.01352	0.9
71.04979	3.1
79.05479	10.8
81.03405	28.5
81.07044	20.1
82.03750	0.4
82.07386	0.6
83.04969	3.1
83.08604	8.0
85.02882	1.5
85.06512	1.4
87.00787	0.6
88.24626	0.4
89.03901	7.0
91.05472	8.7
93.07031	13.0
95.04954	8.3
95.08002	0.6
95.08585	5.2
97.02862	1.9
97.06509	3.8
97.10139	1.4
99.04435	0.6
99.08078	0.8
103.05455	0.9
105.01874	0.5
105.07025	5.4
106.04139	0.5
107.04944	2.4
107.08571	8.3
109.02862	5.9
109.06498	1.5
109.10123	2.3
111.04424	0.8
111.08073	4.1
115.05466	0.8
117.03362	22.1
117.06999	2.4
119.04920	0.6
119.08563	4.9
120.44031	0.4
121.06470	1.3
121.10117	7.3
123.04378	0.6
123.08044	0.5
123.11671	1.2
124.05171	0.5
125.09599	0.7
127.03876	1.1
128.06195	0.7
129.01842	1.2
129.06979	4.2
131.04892	1.2
131.08543	4.5
131.97731	0.4
133.06465	1.2
133.10121	4.1
134.03601	1.1
135.04404	2.1
135.08003	0.8
135.11644	2.2
137.05930	1.5
137.09627	0.7
139.11079	0.6
141.06952	0.8
142.07799	0.7
143.04877	0.5
143.08527	0.5
145.02824	61.8
145.10143	0.5
147.02879	0.9
147.04373	0.8
147.08011	1.2
147.11658	3.2
149.05965	7.8
149.09601	1.5
149.13225	7.4
149.14424	0.4
151.03835	0.6
153.05582	0.6
153.06911	0.7
155.04889	1.0
157.06453	1.5
157.10095	3.3
158.05986	0.6
159.11641	3.8
161.05891	0.7
161.96338	0.4
163.03885	0.9
163.07576	0.6
165.12762	0.9
169.06503	0.4
171.04448	0.4
171.08058	0.8
172.05170	1.0
173.05946	0.8
174.06741	1.0
175.07475	0.8
175.11119	3.3
176.04761	0.4
177.05441	100.0
177.12668	1.2
179.03348	0.5
183.04440	0.9
184.05058	0.6
185.05988	0.9
186.05475	2.2
187.07489	2.1
189.05438	1.3
189.09068	0.4
191.06975	1.3
192.07445	0.5
193.12227	7.6
195.06427	0.4
195.13736	2.2
197.05952	1.1
198.06664	0.4
199.07477	2.3
200.04665	1.0
201.05461	2.0
211.03909	0.7
211.13228	2.3
213.14626	0.6
215.06978	6.7
217.08618	2.0
219.06458	0.5
225.05406	0.9
228.03981	0.5
229.04945	0.5
229.08565	1.3
231.06520	1.3
233.08047	3.8
241.08636	0.8
242.05830	0.5
243.06476	4.9
245.08035	1.1
249.14807	0.7
253.04927	0.6
257.07953	3.1
261.07556	32.8
267.15878	26.8
268.16281	1.3
269.17438	30.9
270.05157	0.9
270.17834	0.8
285.04340	0.8
285.07523	16.0
285.16937	1.1
301.20206	0.7
303.08591	6.8
315.04895	0.4
321.09384	0.6
345.09540	0.7
369.24033	0.7
389.08566	0.8
407.09717	4.4
417.25626	0.4
419.95282	0.4
425.10736	9.2
425.16272	0.4
435.27356	3.2
443.27841	1.1
453.28271	2.7
461.28918	58.3
462.29227	4.3
479.30148	2.8
503.29831	1.0
511.32791	4.2
579.10718	0.9
580.11530	1.0
663.76892	0.4
708.19977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01863	5.1
55.05505	20.3
57.03433	11.0
57.07053	2.7
59.04985	2.5
60.17750	0.9
61.02929	7.4
65.03920	2.1
67.05495	70.8
68.05824	1.3
69.03426	7.1
69.07056	14.0
70.09164	2.5
70.09573	2.8
71.04980	25.8
73.02908	2.7
79.05025	1.8
79.05482	36.3
81.03405	57.0
81.07045	100.0
82.03730	1.4
82.07365	3.2
83.04971	17.8
83.08605	25.2
85.02899	26.4
85.06526	12.1
87.04448	1.3
91.03923	3.4
91.05468	47.4
92.05772	0.9
93.07028	33.1
95.04954	26.4
95.08596	17.7
97.02895	8.3
97.06518	9.7
97.10149	4.5
99.04449	1.8
99.08089	3.3
101.05975	1.4
105.07014	30.0
105.34882	0.8
106.07350	1.3
107.04924	9.8
107.08582	22.5
108.08842	0.9
109.02854	2.1
109.06512	6.3
109.10135	17.4
110.10484	0.9
111.04403	3.0
111.08072	10.2
113.06011	2.9
114.47696	1.0
115.05441	2.1
117.07009	6.5
119.04883	1.4
119.08558	20.5
121.06477	2.6
121.10132	14.6
123.04401	1.1
123.08047	2.8
123.11686	13.9
125.05917	1.0
125.09602	3.8
127.03905	2.3
127.07567	1.6
128.06192	1.3
129.06989	8.9
129.86418	0.9
131.08562	14.4
133.06456	3.0
133.10114	26.6
134.10489	0.9
135.08002	1.6
135.11641	4.6
137.05942	1.4
137.09572	4.2
137.10519	1.0
141.07033	1.0
142.07759	2.1
143.08521	1.5
145.02779	1.7
145.10115	4.9
147.04396	1.9
147.08029	3.4
147.11653	15.9
149.05914	1.1
149.09595	7.8
149.13226	7.3
151.11153	7.2
153.12859	1.5
157.10112	13.3
159.11670	5.0
163.11148	4.0
165.09090	9.9
165.12764	3.3
166.09439	1.8
167.07022	2.0
169.12248	1.6
171.11609	1.0
173.09610	1.2
173.11621	2.3
175.11163	12.8
176.11423	0.9
177.05460	2.6
177.12714	3.0
183.11606	1.4
183.13805	2.6
187.13217	4.5
193.12222	35.7
194.12617	1.5
195.13809	2.5
199.07410	1.0
201.14781	1.8
205.12280	2.1
209.11713	1.4
211.13255	48.1
225.14789	2.9
227.12691	1.9
229.14322	9.6
243.15923	4.1
249.14751	1.6
253.17995	2.8
257.17429	2.3
267.15857	23.0
268.16208	2.0
269.17450	18.6
275.20154	2.2
283.15472	2.1
285.16916	29.1
286.17371	1.9
300.67535	0.9
301.16693	2.0
301.20004	19.5
315.23468	1.0
316.96152	0.9
345.09613	2.4
349.23721	13.3
409.97522	0.9
417.26212	3.4
435.27359	30.2
436.27701	2.0
439.26889	4.8
442.34064	1.6
443.27725	3.0
453.28421	76.9
454.28641	4.0
461.28900	48.2
462.29153	3.0
467.29953	12.8
475.26755	2.2
479.29990	60.1
480.30072	3.8
493.31204	4.1
511.32950	54.9
512.32764	4.3
529.29950	2.1
578.10419	1.0
579.11188	6.5
580.11359	5.1
655.36157	1.6
679.68915	1.0
708.19550	3.6
709.19788	1.6
709.32037	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28119	0.4
55.96558	0.4
69.03373	0.5
70.55341	0.8
70.55733	0.8
73.91253	0.4
82.99852	0.8
85.02882	1.1
97.02895	0.9
98.97562	0.7
101.00856	2.3
109.02892	0.6
114.81591	0.4
119.01910	9.7
120.77086	0.4
122.01339	1.2
127.02437	0.7
131.01878	5.9
131.51984	1.0
133.03534	0.6
134.99635	0.5
137.01855	2.0
137.02924	1.8
137.51900	0.6
143.01869	14.0
145.03452	5.4
147.01302	0.7
152.02379	1.5
152.52484	0.7
155.00717	0.7
155.01883	7.8
157.03467	3.0
158.99582	0.7
161.02931	18.0
163.04466	1.0
167.01862	5.3
167.03030	0.5
169.03448	2.0
171.05003	1.8
173.02950	17.7
173.53104	0.5
174.02892	0.5
175.04498	1.6
177.00674	0.5
179.01865	1.7
182.03415	0.4
184.04544	0.5
185.02937	30.3
186.03110	0.7
187.04512	3.1
189.05983	0.5
191.03993	0.4
194.03471	0.6
196.04649	0.5
197.02940	11.3
199.04495	0.5
203.04002	12.4
203.54036	0.5
209.02969	1.2
215.03969	8.2
219.01903	0.7
221.05052	1.3
227.01866	0.3
227.03951	7.7
232.03455	0.6
233.04869	0.5
239.04077	0.6
245.05040	100.0
246.05249	4.3
251.04327	0.6
257.05020	5.4
263.06088	15.6
264.06387	0.7
275.06055	10.2
276.06479	0.5
279.03815	0.5
284.06573	2.4
286.07730	1.0
293.07169	3.3
304.50754	0.5
305.07129	10.9
306.07190	0.6
317.07101	0.5
335.08148	3.1
347.08395	0.6
365.09271	36.6
366.09445	1.8
383.10400	2.2
400.88205	0.5
406.12469	0.5
415.27689	0.5
425.11362	27.9
426.11392	2.2
437.11435	2.0
455.12186	1.6
584.69891	0.5
707.18054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.3
55.01857	6.6
55.05503	31.2
57.03415	11.4
57.07066	5.7
61.02911	3.1
63.41689	2.9
65.03932	6.1
67.05492	74.6
69.03415	21.2
69.07053	23.2
70.14909	6.3
70.15323	11.3
71.04992	9.8
71.08620	3.5
73.02937	4.1
79.05490	51.7
81.03407	100.0
81.07045	71.6
83.04973	41.9
83.08614	24.5
85.02876	16.4
85.06573	4.9
87.04469	3.3
91.05470	56.5
93.07034	64.0
95.04966	26.8
95.08595	48.5
97.02866	24.7
97.06508	5.7
97.10159	11.4
99.04461	5.7
105.07027	42.0
105.07724	4.6
107.04939	5.6
107.08584	25.3
109.02856	13.4
109.06520	11.3
109.10142	21.8
111.04448	19.7
111.08068	12.7
117.06996	11.0
119.04913	3.5
119.08578	28.5
121.06502	5.0
121.10124	24.7
123.11703	9.6
125.09601	4.4
127.03904	14.0
129.05478	13.2
129.07004	14.0
131.08543	30.5
133.06487	7.1
133.10112	22.0
135.08023	5.5
135.11668	13.9
137.09706	3.4
141.06870	3.7
143.08519	5.3
145.10129	14.8
147.07982	4.7
147.11665	23.8
149.09613	9.3
149.13237	6.8
153.12769	7.3
155.08594	5.2
157.10121	15.6
159.11736	7.4
160.45772	3.3
161.13229	7.5
163.11188	10.6
165.12764	6.9
165.17136	3.3
171.11714	6.4
173.13243	6.6
175.11189	13.2
187.14766	3.6
189.11189	4.0
191.10687	6.9
193.12245	44.2
211.13257	67.1
217.20685	3.3
227.12744	16.9
229.14360	5.9
243.21089	4.3
261.22110	14.5
267.15897	12.2
283.15314	7.2
285.16934	14.4
335.25745	38.7
337.27390	11.8
355.17239	4.0
369.24261	4.9
387.25003	3.6
429.21127	6.3
459.07162	4.1
461.28754	3.3
479.29962	4.2
525.65643	3.6
527.37634	15.0
545.38214	37.5
546.38812	5.3
578.10236	10.0
579.10657	8.6
653.40460	3.7
689.42157	18.1
690.42480	4.0
707.19409	7.9
707.42346	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	707.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41632	0.8
55.01860	2.0
55.05494	2.3
57.03419	1.0
59.04993	7.4
67.05483	3.2
69.03409	1.4
69.07057	25.2
70.06575	0.9
71.04979	1.4
71.65952	1.3
72.08096	0.7
72.63219	0.9
79.05492	3.7
81.03415	3.0
81.07056	3.4
83.04984	1.1
85.02901	1.5
85.06536	6.7
87.04458	1.0
87.08077	1.3
91.05460	2.3
93.07039	2.1
95.04951	2.2
95.08616	1.8
97.02890	2.6
97.06532	5.8
97.31992	0.8
105.07007	2.1
107.04942	1.0
107.08578	1.5
109.06516	1.5
109.10134	2.0
117.03445	0.9
119.04919	1.0
119.08537	1.8
120.41946	0.7
121.10146	1.4
123.04433	0.9
123.11678	0.9
125.05950	0.9
127.03942	1.4
129.07079	0.9
129.09122	1.2
131.08540	1.5
133.10162	1.6
135.04420	0.9
135.08046	0.8
135.11720	0.9
137.05994	1.6
143.08575	0.9
144.18053	0.8
145.02902	2.2
145.10165	1.7
147.04427	2.8
149.06017	1.1
149.09627	0.9
157.10173	1.4
161.02382	1.0
161.05832	0.9
161.09698	0.9
163.03871	0.9
163.11143	1.1
165.01865	2.5
165.09070	4.5
167.07095	1.6
177.05490	5.3
178.06198	1.0
190.08771	0.7
191.07031	1.9
195.06480	1.0
205.04926	2.0
207.06427	1.1
282.05359	0.9
292.03641	0.9
295.05927	1.0
297.03979	1.0
312.06290	1.3
315.05032	1.7
315.08731	1.6
322.04684	0.9
335.05637	1.3
336.06137	1.1
339.05051	0.9
345.09729	3.9
347.05582	2.7
371.05594	1.3
373.07547	1.1
385.07001	2.3
387.08603	1.9
391.04370	1.5
401.06628	1.2
405.06168	1.2
407.07602	1.4
413.06516	2.2
413.12344	2.2
415.08347	1.7
417.06097	1.1
419.03644	1.1
420.04584	8.9
429.05994	1.8
430.06534	0.9
431.07739	3.3
433.05591	3.6
434.06470	2.2
435.06665	3.9
441.06073	2.3
443.07639	1.3
445.09344	2.5
450.09454	15.2
450.14926	0.6
455.07547	1.0
457.04819	3.8
458.06677	1.3
459.06851	14.7
461.08661	4.5
463.10361	2.4
471.06647	1.0
473.08685	4.7
474.09543	1.9
475.06003	1.5
475.11169	1.2
487.10168	3.7
489.11911	12.4
501.08359	1.3
503.06320	3.2
504.10461	19.7
505.07196	8.7
513.04492	1.4
515.09686	1.2
517.07611	2.0
519.08948	6.1
531.05389	11.2
532.10315	4.2
533.10944	3.5
535.12720	2.3
549.06250	9.7
561.10162	9.0
563.07898	1.4
577.09589	3.9
578.10468	81.0
579.11237	100.0
580.11664	3.1
589.12970	1.7
661.17780	1.6
663.16791	1.1
675.16919	11.2
689.17426	2.8
707.19598	65.8
708.19629	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	706.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01858	4.8
55.05506	13.0
55.46980	1.1
57.03425	11.5
59.04993	3.9
61.02900	2.9
67.05151	1.3
67.05496	31.2
69.03414	5.8
69.07059	17.0
69.50636	8.4
69.51057	4.1
71.04972	4.9
79.05478	33.2
81.03407	48.2
81.03886	2.9
81.07043	31.8
82.03712	1.4
82.07369	1.4
83.04968	15.2
83.08603	14.1
85.02877	6.9
85.06538	3.4
87.00787	2.5
91.05467	45.7
92.05802	2.1
93.07033	29.1
94.07372	2.7
95.04958	20.2
95.08588	16.4
96.08892	1.5
97.02884	6.6
97.06504	5.2
97.10149	3.0
99.04417	1.2
99.08086	1.4
99.91141	1.2
103.05427	1.5
104.65361	1.1
105.06333	2.1
105.07012	29.5
106.07333	2.4
107.04934	12.5
107.08587	16.4
108.08929	1.5
109.02877	2.3
109.06519	7.9
109.10141	13.6
110.10462	2.7
111.08072	6.0
115.05434	1.3
117.07024	5.5
119.04999	1.1
119.08567	22.5
120.08907	1.5
121.06504	4.5
121.10146	10.4
123.08045	4.0
123.11657	3.1
125.09614	3.6
126.09945	1.4
127.03910	3.8
129.06955	10.5
131.08551	13.2
133.06424	3.0
133.10114	23.8
135.08002	1.5
135.11668	8.2
137.09593	2.8
142.07744	2.7
143.08589	1.8
145.02847	1.8
145.04958	1.3
145.10120	8.8
147.08028	2.9
147.11674	16.5
148.12044	2.2
149.09605	5.4
149.13284	1.6
153.12759	1.9
157.10098	15.1
158.10504	1.7
159.11629	3.3
160.12100	1.3
161.09644	1.5
161.13260	1.4
163.11172	5.9
164.44279	1.3
165.09109	5.1
165.12753	6.3
166.13010	2.8
169.10109	1.2
171.11742	2.2
172.29123	1.3
173.13123	1.6
175.11177	11.2
177.05420	2.3
178.06293	1.8
189.11208	1.5
193.12201	19.8
193.15816	1.3
201.16391	4.2
202.16759	1.9
203.17958	4.2
204.18246	3.0
213.16371	1.9
221.13249	1.8
227.12689	2.5
229.14316	2.7
232.17740	1.4
249.18552	2.3
267.15866	96.1
268.16043	2.1
269.05829	1.3
269.22559	4.9
270.22992	3.1
283.15390	5.1
315.05145	1.9
316.05426	1.4
345.09671	3.6
403.33389	1.5
404.33966	4.9
420.04623	1.7
421.34570	5.9
422.34949	19.5
433.25650	1.6
440.36188	2.5
450.09476	2.1
459.06842	3.8
459.27374	100.0
460.27872	4.5
477.28467	7.9
489.12244	2.0
501.28638	1.8
504.10269	4.2
509.27444	4.9
519.09772	1.8
527.28210	3.6
531.05719	2.5
561.09528	2.2
567.29578	2.0
578.10535	13.7
579.11273	16.7
613.41449	1.5
675.17084	3.4
707.19287	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	706.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14502	1.7
55.01865	8.0
55.05499	24.5
57.03203	1.5
57.03435	17.3
61.02903	5.9
65.03920	2.4
67.05138	2.5
67.05494	38.9
68.05795	1.4
69.03416	10.1
69.07048	14.0
69.36341	5.3
69.36753	11.3
71.04982	8.3
73.02892	3.8
79.05028	1.8
79.05482	35.7
80.05827	1.7
81.03407	100.0
81.07043	36.8
82.03716	2.1
82.07378	2.6
83.04978	13.2
83.08604	24.5
85.02898	11.0
85.06516	3.6
86.09705	2.6
91.03957	4.7
91.05470	31.9
92.05808	2.6
93.07036	28.2
94.07346	3.2
95.04953	36.3
95.08591	19.0
97.02862	9.0
97.06498	5.3
97.10161	20.0
97.58843	1.5
98.10473	2.4
99.04450	2.3
99.08063	2.0
103.05459	2.2
105.07022	26.2
106.07323	2.2
107.04936	17.3
107.07910	1.9
107.08581	20.9
108.08906	2.8
109.02840	2.8
109.06509	11.9
109.10149	10.4
110.10430	2.1
111.04425	3.6
111.08098	9.6
113.05980	2.5
115.05431	3.5
116.06207	1.7
117.06990	11.2
119.04909	1.7
119.08559	24.8
120.08874	3.5
121.06493	10.7
121.10137	12.4
122.06890	1.8
122.85941	1.7
123.08027	4.1
123.11665	2.7
125.09615	14.7
127.03893	2.0
128.06221	2.3
129.06993	12.6
131.04933	1.5
131.08553	17.9
132.08923	1.8
133.06482	6.8
133.10127	13.3
135.08023	6.3
135.11684	4.4
137.05954	2.8
137.09578	4.0
141.07005	2.2
142.07745	2.7
143.08528	7.5
144.08893	2.4
145.06462	5.5
145.10109	13.5
146.10419	1.8
147.04320	2.0
147.08029	5.6
147.11655	13.2
149.09590	9.6
149.13216	2.3
155.08524	4.4
157.10118	12.9
158.10393	1.9
159.07980	3.1
159.11659	6.4
161.09567	2.8
161.13138	3.5
163.11139	4.8
167.08563	2.0
169.10051	3.5
171.08124	2.0
171.11652	5.0
173.09541	2.9
173.13237	4.9
175.11140	10.8
176.15135	1.6
177.12778	1.6
183.11636	3.6
184.07321	6.3
185.09610	1.8
185.13229	4.6
187.11211	2.2
187.14738	2.6
189.11156	6.3
189.12740	2.1
193.12219	25.0
195.11594	1.8
203.17758	1.5
205.12207	3.3
211.11234	1.8
211.13161	3.9
215.14474	2.0
219.13887	2.7
227.12769	4.6
233.15210	3.2
235.13257	1.9
255.13918	1.8
267.15878	88.3
273.14560	2.1
300.23956	2.0
339.22992	2.4
349.21408	2.5
367.22614	15.6
385.23734	21.6
392.79965	1.7
397.22379	2.0
403.24518	6.8
420.05069	2.0
422.26276	2.6
434.31375	2.2
441.26074	4.6
450.09680	1.9
451.09494	2.1
452.32281	3.0
457.36484	1.5
458.37100	5.8
459.06598	2.7
459.27359	90.9
460.27594	4.0
477.28391	55.0
478.29037	2.5
491.30035	7.2
501.28485	4.7
504.10568	2.3
509.31287	3.0
516.37781	1.7
525.35663	2.0
526.36139	9.3
543.36505	7.0
544.37073	39.2
561.09808	2.2
567.29254	3.3
578.10559	7.2
579.11652	10.2
586.38116	2.2
652.38928	1.7
670.39227	2.2
688.41034	3.2
706.43091	7.9
707.19604	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	705.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.7
53.03947	9.9
55.01873	2.6
55.05508	21.7
57.03431	7.8
57.07073	2.3
57.96497	1.5
60.62893	1.5
65.03936	6.5
67.05499	83.2
69.03419	22.7
69.07053	17.1
69.40682	7.9
69.41116	6.0
71.04985	61.3
71.05392	2.0
77.03923	2.2
79.05483	58.1
81.03409	53.6
81.03893	2.5
81.07049	100.0
83.04959	11.1
83.08600	8.7
85.02897	8.4
85.06539	8.1
86.16967	1.5
87.04462	2.0
91.05473	64.1
92.05795	2.1
93.07037	68.8
95.04960	15.4
95.08592	38.9
97.02885	17.2
97.06523	10.0
97.10158	2.5
98.20712	2.9
99.04459	7.0
99.08096	2.8
105.04498	1.7
105.07018	37.5
106.07331	1.9
107.04953	3.4
107.08580	36.9
107.09259	3.2
109.02863	14.3
109.06535	5.7
109.10146	17.5
111.04431	3.9
111.08069	4.9
117.07013	12.2
119.08578	18.1
121.06479	3.0
121.10128	23.8
123.08094	2.9
123.11705	13.6
125.09600	2.3
127.03894	7.9
129.05461	2.7
129.07011	4.1
130.61679	1.4
131.08559	17.9
133.06487	2.7
133.10117	26.6
135.08037	2.0
135.11658	15.7
141.06943	1.8
143.08595	5.4
145.10100	10.3
147.11688	8.5
149.09642	2.1
149.13237	13.7
151.11177	9.6
155.08574	1.8
155.14214	1.9
157.10175	4.0
159.08063	1.4
159.11681	15.6
161.13297	4.3
163.11130	2.0
163.14857	2.2
165.12752	2.4
169.10133	1.9
169.12277	2.8
171.11745	2.8
173.04485	11.6
173.13301	4.6
175.11249	4.0
177.12695	8.5
179.14299	1.6
181.94527	1.6
183.06615	3.5
183.11690	1.8
183.13791	8.7
184.07347	1.7
185.13272	2.1
187.13281	17.1
187.14763	2.8
193.12268	2.3
195.12244	2.1
195.13780	9.6
197.13445	1.8
201.13046	1.5
201.14883	4.5
203.40593	1.7
213.14780	1.8
257.17557	5.1
261.22266	4.7
269.17499	3.4
277.21655	2.5
321.16968	3.1
323.18613	1.8
335.25995	4.8
339.17966	9.5
341.24762	1.9
349.27213	7.8
351.23209	3.0
369.24377	4.6
395.20804	3.2
427.23392	4.7
435.33157	1.6
443.28000	3.7
461.28979	2.1
475.21255	2.6
501.39282	2.4
503.37344	5.4
517.38898	11.4
529.38770	3.3
557.73077	1.7
561.41663	5.2
608.26654	8.3
655.41638	3.2
673.42786	7.7
674.43463	2.3
705.34650	2.2
705.45667	63.3
706.46259	5.4
712.60223	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	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01861	5.1
55.05503	14.7
57.03433	5.3
57.07067	6.1
60.42654	1.0
61.02914	11.9
65.03933	2.4
65.42377	0.9
65.62646	1.0
67.05492	26.9
69.03415	9.7
69.07062	11.2
69.30616	8.1
69.31046	5.6
71.04982	4.9
73.02915	5.8
73.21108	1.0
76.93324	1.2
79.05484	25.6
81.03400	13.8
81.07045	29.8
83.04973	5.8
83.08589	8.2
85.02893	10.4
85.06516	1.2
87.04458	27.3
91.03951	5.0
91.05466	22.6
93.07027	24.2
95.04955	10.7
95.08590	17.6
97.02868	9.8
97.06533	5.3
97.10148	7.0
98.20698	1.8
99.04440	3.3
101.02406	1.6
102.57277	1.1
105.07014	18.7
107.04946	4.3
107.08579	13.4
109.02873	2.2
109.06507	4.0
109.10161	7.8
111.04426	2.8
111.08070	2.9
117.06995	11.5
119.04951	1.6
119.08564	15.2
121.06509	3.9
121.10144	8.9
123.08042	4.1
123.11681	1.8
125.09598	7.6
127.03912	4.0
128.06241	1.9
129.07004	6.4
131.08549	11.6
133.06490	1.6
133.08554	1.2
133.10132	11.6
135.08070	4.1
135.11684	5.6
137.09572	1.9
141.06947	2.7
142.07730	2.6
143.08543	6.9
145.06441	3.2
145.10092	10.7
147.08026	2.7
147.11665	7.7
149.09589	3.1
149.13235	2.8
151.11122	1.5
155.08546	4.4
157.10104	4.6
159.08017	3.9
159.11649	8.6
161.09621	2.4
161.13252	3.3
163.11188	3.5
167.08554	1.9
169.10124	6.6
171.08002	1.8
171.11708	4.6
173.04407	1.8
173.09601	3.8
173.13255	4.5
175.14955	1.2
181.10114	1.9
183.11679	3.9
185.09488	1.5
185.13199	2.8
187.11192	2.3
189.11183	2.2
195.11649	2.8
195.13686	1.8
197.13243	2.9
199.11084	2.1
199.14839	2.4
201.12717	1.9
203.10687	1.3
209.11682	2.4
209.13419	1.7
210.23586	1.1
211.14903	1.3
219.17451	3.6
225.16266	1.2
227.12840	3.4
233.18936	2.1
235.14856	1.5
259.20502	2.6
267.15915	2.5
275.20035	8.9
277.21490	2.0
291.20187	1.1
293.20511	1.2
299.20135	2.0
299.23642	4.7
313.21725	1.1
329.21130	2.8
349.23749	2.5
357.24176	1.5
363.85413	1.2
403.24805	2.1
413.21613	2.1
421.25616	4.6
433.30832	2.6
435.27591	3.5
451.32034	4.7
469.32831	1.8
507.35178	1.2
519.36859	1.3
525.35596	14.0
541.34961	1.2
543.36743	100.0
544.36920	7.3
567.37201	1.8
608.26025	2.7
651.38684	2.0
669.38928	1.8
687.40906	5.5
705.41943	11.4
706.46179	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	705.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
55.01859	17.3
55.05507	32.5
57.03433	14.9
57.07059	3.2
57.31491	1.9
61.02926	9.6
65.03921	6.4
67.05495	87.8
69.03419	30.2
69.07061	28.9
69.86475	12.1
71.04980	11.8
71.08633	2.0
73.02900	7.8
79.05483	67.9
81.03028	1.3
81.03407	58.9
81.07046	100.0
83.04974	19.3
83.08606	19.9
85.02895	18.3
85.06528	5.4
91.03944	2.3
91.05470	59.7
93.07034	66.8
94.07336	2.0
95.04952	20.9
95.08593	48.8
95.09205	2.9
96.08958	2.1
97.02874	21.7
97.06533	14.6
97.10162	12.4
98.20741	2.5
99.04429	5.7
99.08081	4.0
105.07021	45.8
106.07304	2.8
107.04931	11.2
107.07857	2.2
107.08585	43.3
109.02860	11.3
109.06509	11.8
109.10148	22.1
110.39696	1.9
111.04405	6.3
111.08055	5.8
115.05428	2.6
117.06999	27.0
119.07755	3.1
119.08573	40.0
121.06496	6.0
121.10135	25.1
123.08063	7.8
123.11681	4.1
125.09611	6.2
127.03884	11.3
128.06224	2.9
129.05493	3.6
129.07004	15.6
131.08548	34.3
133.06490	4.7
133.10109	29.2
135.08031	7.4
135.11678	19.0
137.09648	4.1
141.06960	4.9
142.07805	3.0
143.08540	13.4
145.06477	6.8
145.10094	28.5
147.04471	2.0
147.08005	5.6
147.11668	20.5
149.09601	9.4
149.13258	13.4
151.11179	3.9
153.09103	2.8
155.08548	10.9
157.06476	2.8
157.10095	16.6
159.08047	3.8
159.11690	22.7
161.09636	4.7
161.13216	6.8
163.11166	7.5
165.12775	6.0
167.08563	3.7
169.10104	10.7
171.08006	4.2
171.10449	2.1
171.11687	13.2
173.04453	11.8
173.09669	6.1
173.13190	9.8
175.11197	4.3
177.12770	6.9
181.10085	4.1
183.11708	7.9
185.09546	1.9
185.13213	8.3
187.11119	3.3
187.14882	3.3
189.12674	2.3
193.10158	3.2
193.12250	2.7
195.11769	4.4
195.13734	7.9
197.13274	4.7
199.06004	3.2
199.11192	1.9
201.12773	3.4
203.14375	2.2
209.11490	2.6
209.13268	2.2
211.11313	2.8
211.14839	4.4
213.12752	4.2
227.12656	4.2
227.17929	2.3
229.19472	3.0
233.13167	2.1
239.18115	2.5
245.19095	1.8
247.20491	3.0
249.15015	2.4
257.18939	6.3
267.15900	7.3
269.17410	17.2
273.18533	3.0
275.20056	33.1
283.15268	2.3
287.20013	2.4
293.21170	3.7
299.23404	2.7
301.21429	2.3
303.15952	3.6
331.22562	2.0
339.23126	2.5
349.23785	12.7
395.20773	2.5
413.21875	2.5
419.24142	2.5
433.30917	5.7
451.32001	6.0
463.30029	3.7
469.32672	4.7
507.34570	3.0
515.37225	5.9
525.35724	20.0
541.35217	2.6
543.36743	78.7
544.37469	4.6
561.37903	2.2
607.34039	3.1
651.38422	3.2
669.39618	2.4
687.41266	13.7
705.42035	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	705.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.3
53.03937	13.5
55.01858	7.1
55.05283	2.1
55.05503	31.3
57.03412	9.4
57.07073	2.9
59.04977	3.0
61.02902	4.6
63.56248	2.2
65.03935	6.5
65.80537	1.9
67.05495	90.1
69.03418	26.0
69.07054	22.0
71.04977	39.7
71.64063	3.2
71.64414	3.0
73.02888	4.7
79.05028	3.5
79.05482	70.6
81.03406	78.9
81.07043	100.0
83.04970	22.9
83.08611	19.4
85.02894	13.7
85.06515	7.6
87.04423	3.1
91.04922	4.5
91.05466	64.8
91.06032	3.2
93.07034	64.6
95.04951	19.2
95.08596	44.1
96.79986	2.2
97.02873	24.4
97.06519	11.9
97.10136	13.8
98.20742	2.3
99.04436	7.3
104.01528	2.4
105.07010	45.7
107.04957	7.5
107.08578	44.4
109.02883	12.4
109.06489	10.1
109.10125	22.8
111.04451	11.0
111.08082	5.6
117.07011	16.9
119.08560	33.9
121.06482	5.9
121.10136	24.6
123.08026	5.4
123.11674	12.1
125.09615	6.9
127.03889	11.1
128.06248	2.5
129.05481	4.1
129.06978	16.9
131.08566	31.9
133.06448	5.9
133.10101	30.1
133.25023	2.2
135.08052	3.7
135.11662	20.0
136.06189	4.4
137.09499	2.8
139.11226	3.5
143.08537	10.9
145.06442	3.0
145.10080	22.5
147.07971	4.0
147.11668	23.0
149.09579	4.4
149.13248	11.6
151.11162	6.8
153.12718	5.3
155.08507	4.2
157.10112	17.6
159.08002	4.7
159.11678	18.9
161.13223	13.1
163.11098	4.9
165.12703	2.5
169.10133	5.5
171.08005	3.1
171.11647	9.8
173.04440	8.4
173.09596	3.0
173.13211	10.0
175.11157	6.9
175.14815	5.7
177.12704	4.9
179.08452	2.5
181.10141	3.5
181.12155	3.6
183.11653	5.8
183.13678	3.2
185.13202	6.3
187.13245	8.9
187.14830	5.3
189.11185	3.8
191.10683	2.9
193.12253	12.0
195.11845	3.7
195.13776	6.6
197.03876	3.0
197.13258	3.7
199.14856	3.9
201.12822	3.7
201.14726	4.9
211.13181	16.8
213.16486	3.6
225.40651	2.4
227.12714	9.7
241.19511	5.2
256.55038	2.8
259.20532	10.9
261.22244	5.6
267.15836	3.7
269.17294	2.6
271.20490	2.7
283.20480	2.9
285.16916	7.6
299.23593	7.0
301.21481	3.0
333.24179	8.6
335.25784	7.0
339.18121	6.1
339.22998	2.8
341.24576	2.6
349.27124	2.8
369.24332	3.7
397.10071	2.3
421.26669	3.0
429.21002	5.8
451.32010	5.0
475.21143	4.5
517.38507	6.6
525.35834	13.5
543.36737	66.9
608.25818	10.2
651.38562	5.9
669.39227	5.6
673.42865	3.8
687.40576	7.6
705.45227	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36628	0.6
53.03923	2.8
55.01862	4.1
55.05244	1.1
55.05499	18.5
57.03425	6.6
59.04993	1.1
61.02914	12.6
65.03916	1.3
67.05494	25.0
69.03417	8.5
69.07050	9.4
70.48547	1.5
70.48947	1.4
71.01306	1.0
71.04972	2.8
73.02905	5.3
79.05479	20.1
81.03397	9.9
81.07043	22.5
82.07371	0.8
83.04970	4.4
83.08608	7.7
85.02892	10.4
85.06496	0.9
91.03939	4.7
91.05466	18.0
93.07032	18.7
95.04958	7.6
95.08588	15.6
97.02883	8.5
97.06499	2.3
97.10152	8.0
99.04412	2.3
99.08095	0.9
101.02374	0.9
105.07015	15.3
107.04940	3.4
107.08575	12.2
109.02844	1.6
109.06473	3.4
109.10140	10.0
111.04417	1.6
111.08059	1.6
115.05417	1.0
117.07003	11.9
119.08550	12.9
121.06493	4.5
121.10121	7.1
123.04399	1.1
123.08042	2.2
123.11693	1.9
125.09605	8.7
127.03876	2.0
128.06200	2.0
129.07001	7.2
131.04959	0.9
131.08545	14.0
133.06499	2.0
133.10100	9.5
135.08023	4.4
135.11656	3.1
137.09561	1.6
141.06935	3.4
142.07736	1.7
143.08554	8.3
145.04944	0.8
145.06476	3.1
145.10106	12.6
147.08049	2.8
147.11671	5.1
149.09604	2.5
149.13229	1.6
151.11154	0.9
153.09050	2.5
155.08528	6.1
156.09142	0.8
157.06459	0.9
157.10100	9.3
159.08049	2.9
159.11650	9.6
161.09618	2.0
161.13226	2.2
163.11110	1.8
165.07036	0.7
167.08545	2.8
169.10107	5.8
171.08054	1.8
171.11670	7.2
173.09624	2.9
173.13208	5.7
175.11153	1.8
177.12749	1.6
179.08409	0.8
181.10107	3.5
183.08116	1.2
183.11682	4.6
185.09612	2.0
185.13229	4.6
187.11154	1.9
187.13251	1.0
187.14824	2.4
189.09387	0.9
189.11205	4.9
189.12666	1.0
193.10025	1.2
193.12230	1.1
195.11673	3.1
196.12460	0.7
197.09468	1.0
197.13193	4.3
199.11203	1.7
199.14818	3.4
200.20081	0.8
201.12704	1.6
201.16306	1.0
207.11771	1.7
209.13222	2.9
211.11227	1.3
211.13048	1.0
211.14832	1.8
213.12744	1.3
213.16420	1.7
215.14168	0.8
221.13248	0.8
223.14951	1.5
225.16449	1.0
227.12595	5.1
233.15292	1.1
235.14833	0.9
237.12596	0.8
237.16647	0.9
241.19650	0.8
243.15703	1.0
247.16931	0.9
257.18961	1.0
259.20612	2.5
265.19604	0.9
267.15884	1.8
271.16968	0.9
275.20142	2.5
283.20517	2.2
285.18753	0.7
297.18698	0.8
297.22031	2.1
299.20285	1.5
299.23560	7.1
301.21631	1.6
302.21887	0.7
307.20499	0.9
310.05594	0.7
311.20139	1.1
311.23709	0.9
313.21750	1.5
321.22205	0.9
325.21304	1.1
329.21146	1.5
339.23160	1.7
343.22638	1.4
349.23895	0.7
357.24197	1.3
403.24591	1.4
405.31259	1.0
407.24680	0.8
413.21274	0.9
415.29980	2.2
417.26437	1.5
421.25806	5.3
423.32980	0.8
433.31030	5.6
435.27304	5.0
451.32037	6.0
461.29196	0.9
469.32950	4.0
487.34174	1.0
507.34579	1.8
525.35687	22.6
525.43616	1.2
526.36163	0.9
541.35010	1.4
543.36731	100.0
544.37061	5.1
555.37091	1.0
567.36499	1.4
579.36261	0.9
585.37683	1.2
609.37775	1.4
633.38037	1.6
651.38623	2.0
669.39636	2.0
687.40875	4.6
705.41998	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	705.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62361	0.8
55.05499	1.6
67.05495	3.6
69.03401	1.3
69.28197	3.8
69.28630	6.1
71.04988	1.9
76.90086	1.1
79.05488	3.4
81.03403	2.8
81.07040	3.0
83.08617	1.4
83.39478	0.8
84.46624	1.0
91.05458	2.1
93.07045	3.3
95.08605	2.3
96.52387	0.7
97.02875	1.1
98.20760	2.1
105.07039	1.7
107.04948	0.8
107.08558	1.6
111.08060	0.9
115.59155	1.0
133.10104	1.2
163.11139	0.9
174.70836	0.8
184.07286	1.0
210.11545	0.9
221.10730	1.3
222.11467	0.8
223.12355	1.5
224.13013	1.4
225.10202	0.9
225.13892	3.2
226.14577	1.6
237.14163	1.1
251.08105	2.0
315.59131	1.0
399.19446	1.1
403.15048	1.7
417.16843	2.7
418.17752	1.9
419.18704	1.2
431.18750	2.6
433.20172	3.9
445.15973	1.4
447.21906	8.1
458.17505	1.2
460.19119	1.3
461.19540	1.8
475.21274	23.5
476.21902	4.0
503.20728	3.4
504.20001	1.0
533.21570	2.0
535.23419	12.7
547.23254	2.7
548.23859	4.5
549.25208	4.8
576.23602	1.6
607.25372	10.4
608.26233	100.0
609.26447	7.0
705.45007	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	705.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05513	1.1
70.69492	2.0
79.05474	0.6
81.03410	0.8
81.07024	1.2
91.05471	0.8
93.07037	1.5
95.08563	1.2
119.08640	0.8
120.27541	0.6
184.07397	1.0
196.09882	0.6
210.11549	0.8
221.10635	0.7
222.11603	1.2
223.12329	1.3
224.13150	0.9
225.10309	0.8
225.13777	3.5
226.14474	0.9
236.13220	0.7
237.13896	2.1
240.10115	0.6
247.12227	0.7
249.13924	1.2
251.08263	1.5
327.93088	0.6
338.13223	0.9
389.17636	0.8
403.15234	1.2
404.16034	0.8
405.21121	0.9
417.17151	4.5
418.17950	2.0
419.18188	1.3
431.18750	2.3
432.19461	2.2
433.20151	5.6
445.16269	1.2
447.21869	9.0
448.22598	1.2
459.21915	1.0
460.18698	1.4
461.19370	1.0
474.20267	1.1
475.21252	21.1
476.21915	4.5
489.22876	0.7
503.20978	2.3
505.22333	0.8
520.23871	0.7
521.21655	1.2
533.21722	1.5
535.23389	14.5
536.23828	1.1
547.23389	1.7
548.24261	3.1
549.24896	5.9
565.24353	0.9
572.95959	0.6
593.23682	1.4
607.25427	8.8
608.26221	100.0
609.26575	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	705.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	1.6
55.05492	3.4
57.03421	0.9
67.05506	7.4
69.03402	3.0
69.07047	2.3
70.79057	2.4
71.04971	1.5
71.06583	0.8
79.05489	4.9
81.03410	5.3
81.07043	7.9
81.19907	0.9
82.07431	0.8
83.04965	2.5
83.08616	2.0
83.78323	0.8
85.02886	2.2
89.85003	0.7
91.05463	4.5
93.07033	6.0
95.04956	2.3
95.08590	4.7
97.02884	1.6
97.10130	1.4
99.04414	1.0
105.06995	3.6
107.08582	3.8
109.02882	1.4
109.10139	1.5
111.04446	1.0
117.06999	2.6
119.08532	2.6
121.10107	2.4
128.09317	0.8
129.07001	1.8
131.08548	1.9
135.07959	0.9
135.11623	1.1
136.98528	0.8
143.08548	0.9
145.10132	1.9
147.04468	1.2
147.11722	2.2
149.13258	0.9
153.12723	1.4
158.61540	0.9
159.11790	1.4
161.13316	1.0
163.11176	0.9
170.72723	0.9
173.04430	1.3
181.12286	1.2
189.11281	1.0
209.10678	1.0
223.12288	2.3
224.83281	0.8
225.10132	2.0
225.13844	2.1
226.14641	1.1
227.12737	1.5
237.13837	1.7
251.08060	2.2
265.13461	0.8
275.15298	0.9
335.25824	2.0
366.98859	0.9
387.41031	0.9
403.15341	1.2
417.16879	3.7
418.17694	1.8
419.18362	1.0
431.18851	1.8
432.19370	3.0
433.19971	4.5
435.18628	1.0
445.16196	1.4
447.21872	10.6
448.22220	1.5
460.19293	1.6
461.19180	1.5
474.20609	1.1
475.21173	18.6
476.21884	4.9
489.23111	1.0
503.20624	1.8
507.23865	1.1
521.21912	0.9
533.21759	1.5
535.23456	13.1
536.23407	1.5
543.36755	3.3
547.23279	1.1
548.24042	2.5
549.24902	5.2
607.25470	7.5
608.26233	100.0
609.26477	6.7
621.17468	1.0
705.32196	6.2
705.42816	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	705.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69380	0.2
55.01857	0.7
56.00834	0.2
60.08166	0.2
67.02736	0.2
67.05482	0.6
68.99780	1.7
69.03412	0.4
69.07042	1.0
69.47356	0.3
69.47765	1.3
70.06569	0.2
70.88218	0.2
79.05486	1.1
81.07043	0.2
84.08133	0.3
85.02881	0.5
86.09695	0.8
91.05448	0.4
93.07018	0.3
95.04929	0.2
97.02875	1.0
97.06513	5.1
104.10669	0.2
105.03375	0.3
105.07018	0.5
107.04939	0.6
109.02860	0.3
119.04926	0.4
119.08530	0.2
121.06454	0.3
124.99980	0.5
133.02884	0.4
133.06473	0.3
135.04396	0.4
136.07605	0.2
137.05966	0.9
139.00243	1.4
139.03836	0.3
145.02809	0.4
147.04378	1.1
149.05957	0.3
150.06715	0.4
151.03854	0.3
151.07564	0.3
153.01799	0.4
161.05875	0.4
162.06772	0.8
163.03854	1.7
164.04657	0.6
165.05455	0.6
165.09048	0.6
166.99828	0.2
167.03310	0.3
167.07019	0.4
168.00517	0.6
169.01352	0.7
175.28618	0.2
177.05438	1.4
178.06223	5.6
179.03387	0.5
179.06961	1.7
184.07304	1.5
185.00763	1.5
186.01614	1.1
191.03378	0.7
191.07013	0.8
192.07716	0.4
193.04900	0.2
193.08588	1.5
194.09334	0.4
195.06531	0.5
199.04060	0.2
201.05434	0.3
203.03246	0.2
204.07964	0.2
205.04868	0.4
205.08508	0.3
206.05730	0.7
215.06975	0.3
217.04974	0.3
218.05667	0.2
219.06537	0.4
220.07170	0.2
229.05003	0.3
231.02890	0.5
232.03435	0.2
242.05698	0.3
243.06512	0.4
245.04463	0.3
246.05241	2.1
247.05637	0.3
257.04413	0.5
259.02356	0.8
260.06729	0.5
269.04660	0.2
270.05219	0.6
271.06030	0.5
273.03839	0.5
274.04684	5.9
275.05228	0.5
277.03564	0.6
279.39185	0.2
283.02191	0.2
285.03891	0.7
287.01996	0.2
287.05222	0.4
288.06213	0.6
292.05707	0.8
299.05499	0.6
301.03452	1.9
303.04898	0.6
312.06351	0.2
313.03394	0.6
313.06784	0.3
314.04199	0.2
315.04880	1.0
315.08359	0.3
316.05701	3.9
316.09015	0.3
317.06427	0.9
318.13260	0.2
325.10623	0.2
327.04935	0.3
328.05588	1.0
329.02853	1.2
329.06549	1.0
331.04443	2.7
331.08035	21.9
332.08499	0.8
342.07373	0.4
343.08081	0.2
344.05173	0.3
345.06018	1.3
345.09720	0.5
346.06793	3.1
359.07553	16.0
360.08170	1.7
361.09109	4.7
383.07312	0.3
399.10510	0.4
413.12244	0.3
427.10172	7.1
427.16025	0.4
428.10583	0.3
441.11740	0.5
442.12564	1.7
457.14862	100.0
458.15201	4.4
687.13745	0.2
705.19464	0.7
705.36267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89155	0.3
53.03925	0.4
55.01851	0.4
56.94902	0.4
59.43207	0.5
60.99697	0.4
63.02370	0.5
65.03930	7.1
67.05496	2.5
68.48583	0.4
69.03411	1.9
70.06583	0.5
71.04972	0.4
81.03414	0.8
83.04974	0.6
85.02894	2.5
87.00812	1.0
89.03902	4.9
89.39169	0.4
91.05466	1.1
93.03386	8.3
95.04963	1.0
97.02879	98.6
98.03218	1.5
98.20750	1.0
99.04432	0.5
102.22395	0.4
103.05482	0.6
105.01874	2.8
106.04137	0.4
107.04943	0.4
109.02858	1.7
110.03636	1.0
111.04433	1.0
114.05526	0.5
117.03365	15.2
117.04197	0.9
119.04868	0.4
121.02861	3.2
123.04388	0.5
124.05213	0.9
125.02333	1.7
125.05972	1.2
127.03902	3.1
128.06235	1.5
129.06979	7.9
131.04913	0.4
134.03616	1.0
135.04395	1.3
137.06003	1.0
139.03867	1.2
139.05428	0.9
141.01747	0.4
141.06984	2.1
144.06601	0.4
145.02827	45.6
145.04779	1.1
146.03195	1.2
147.04410	0.5
149.02322	10.1
149.05940	5.3
151.03920	2.6
156.05675	0.6
157.06465	10.0
161.06020	0.7
167.03389	50.1
168.03735	1.2
169.06458	2.5
171.08086	0.7
174.06732	1.2
175.07487	0.6
177.05443	100.0
178.05841	2.7
184.05162	1.1
185.05916	2.6
186.05518	1.1
187.07599	1.1
188.08299	1.9
189.05482	2.6
189.09071	9.4
195.04407	1.5
197.05952	0.6
199.07503	7.1
200.04666	0.8
201.09029	0.5
201.30392	0.4
204.83362	0.4
207.06520	2.4
212.04774	0.5
213.05377	1.2
214.06143	0.7
215.06958	1.0
217.08591	8.4
218.08836	0.6
227.07019	7.6
228.98549	0.5
229.08519	0.7
231.04941	1.2
245.08055	13.9
246.08423	0.5
255.06439	1.0
263.09109	0.5
273.07550	3.7
291.08585	39.9
292.08951	2.0
309.09668	9.3
310.10025	0.7
345.09818	0.4
425.10767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.4
55.01864	6.6
55.05507	25.8
57.03434	18.0
57.07053	3.2
57.65549	1.7
59.95052	1.5
60.73418	1.5
61.02908	2.2
65.03931	5.7
67.05500	100.0
68.05829	1.7
69.03421	30.9
69.07063	20.3
71.01376	2.6
71.04988	5.2
73.02881	1.9
73.06496	1.6
77.03927	1.5
79.05487	99.7
80.05853	2.2
81.03411	56.2
81.07049	88.4
83.04578	1.8
83.04986	20.3
83.08616	11.3
85.02898	17.2
85.06525	2.7
85.08301	1.5
87.04450	1.6
91.05471	81.3
93.07036	94.6
95.04955	29.8
95.08595	55.8
97.02883	14.0
97.06506	7.6
97.10155	6.2
98.21503	2.3
99.04444	8.5
99.08097	2.5
103.03928	1.7
103.05460	3.9
105.04523	2.6
105.07015	53.3
107.04945	13.0
107.08581	38.3
109.02876	8.7
109.06499	9.2
109.10153	20.6
109.54781	1.5
111.04437	3.9
115.05435	4.6
117.07014	26.3
119.08559	35.8
121.06512	5.7
121.10131	27.3
123.08045	6.4
123.11738	5.3
125.09640	2.1
127.03916	11.0
128.06227	5.4
129.05476	6.9
129.06995	23.1
131.03410	1.8
131.04918	3.0
131.08548	23.5
133.06458	8.1
133.10120	22.0
135.08075	4.6
135.11664	16.0
137.09550	2.6
141.06995	5.6
143.08556	14.1
145.06477	6.0
145.10120	21.1
147.08029	6.2
147.11682	28.5
149.09641	2.6
149.13245	6.2
152.79538	1.7
155.08551	5.7
157.06430	3.7
157.10126	6.7
159.08035	4.5
159.11696	11.8
161.05962	2.0
161.09613	3.8
161.13239	14.1
163.07535	1.5
163.11171	2.3
163.14830	4.4
164.82622	1.6
167.08530	4.0
169.10109	4.9
171.08078	5.4
171.11671	24.0
173.04439	8.2
173.09622	3.5
173.13235	10.3
175.14890	3.3
177.12747	3.5
179.14294	2.4
181.10106	3.3
183.08041	1.7
183.11653	2.7
185.13266	6.0
187.11095	2.3
187.14822	4.6
189.12740	9.4
195.11635	1.6
197.13219	3.1
199.14824	3.9
201.12700	2.0
201.16443	2.1
203.14323	2.1
207.13748	24.0
209.13263	2.6
219.13834	1.8
221.15446	2.8
223.14847	3.2
225.14743	2.9
227.14490	1.7
229.15927	2.5
241.15836	5.1
243.21002	3.3
251.14282	2.5
259.16901	6.0
259.20462	3.0
261.22134	9.6
269.15387	9.0
279.16013	2.0
281.17444	22.2
287.16431	16.7
295.19009	3.1
297.14658	1.9
305.17407	3.1
315.22839	1.6
333.17035	1.8
333.24139	2.0
335.25772	95.7
336.26141	6.2
351.17841	2.4
361.19897	3.6
363.25247	2.0
379.21204	2.0
405.26385	3.2
407.20251	2.4
425.21753	9.4
537.32184	1.6
541.38824	69.8
542.39032	7.0
555.40045	3.3
558.50159	1.8
590.68628	2.1
591.43817	5.9
593.41400	2.7
621.41040	4.3
685.42804	3.6
703.43896	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	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.9
55.01862	9.0
55.05505	28.0
57.03430	22.3
57.07049	4.2
60.00690	3.3
65.03923	7.1
67.05147	5.6
67.05494	90.7
69.03426	29.6
69.07044	22.3
70.01120	10.2
70.01533	10.3
71.04970	7.6
79.05485	100.0
81.03407	60.8
81.07047	95.6
83.04958	16.0
83.08596	12.9
85.02886	20.5
85.06497	3.8
91.04928	5.8
91.05467	77.7
93.07035	86.2
95.04959	29.2
95.08592	65.0
97.02865	14.0
97.06524	5.7
97.10162	6.4
99.04440	6.6
103.05465	5.5
105.07011	51.1
107.04954	9.0
107.08583	34.6
109.06498	5.9
109.10182	21.1
111.04382	5.1
113.43991	3.6
115.05443	6.4
117.06975	25.3
119.08560	32.6
121.06498	5.9
121.10107	19.4
123.08009	4.7
127.03902	11.4
128.06200	5.1
129.05417	5.5
129.06973	27.1
131.04771	3.6
131.08533	28.2
133.06519	8.7
133.10115	19.9
135.08023	4.1
135.11681	12.5
139.11098	3.7
141.06938	5.7
143.08545	11.1
145.06461	4.6
145.10080	16.9
147.07996	6.0
147.11642	21.4
155.08543	8.2
157.10109	8.5
159.08025	4.7
159.11667	11.2
161.13213	12.6
163.11110	4.0
167.08485	4.6
169.10074	6.6
171.07947	4.7
171.11703	20.2
173.04434	7.9
173.13179	8.9
183.11537	3.5
185.13306	5.0
189.12764	7.3
196.63867	4.3
207.13805	12.7
241.15619	3.7
259.16757	4.1
261.22156	9.2
269.15326	5.7
281.17422	14.8
287.16458	12.1
335.25769	64.0
345.09787	5.5
425.21521	8.2
541.38873	38.0
703.43616	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	703.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05464	0.9
68.99758	1.0
69.03384	0.7
69.07018	1.1
69.55977	3.2
69.56406	1.5
74.50877	0.6
77.23251	0.5
79.05429	2.0
81.07011	1.3
85.02837	0.7
85.24648	0.5
85.89043	0.5
89.03880	0.7
91.05418	2.0
93.06975	0.8
95.01257	0.7
95.04919	1.0
97.02846	1.1
97.06490	0.8
105.06978	1.7
107.04924	1.4
107.08576	0.7
112.79193	0.5
119.08485	1.1
123.04459	0.9
133.02702	0.6
133.09999	0.7
134.03542	0.5
135.04343	1.7
136.05103	0.6
137.05902	1.4
145.02815	1.4
147.04335	1.7
148.05132	0.8
149.05890	1.8
151.03879	0.8
151.07483	2.7
153.01790	1.8
153.05341	1.1
157.10101	0.6
161.05992	1.0
162.06667	0.7
163.03821	2.6
163.07455	0.7
164.23154	0.6
165.05362	0.7
167.06979	1.1
168.07712	1.0
170.02176	0.7
173.02361	0.6
177.05470	4.9
178.02559	1.2
178.06204	7.0
179.03325	1.7
179.06958	1.4
181.08513	1.9
189.01770	0.6
191.03297	2.3
191.06975	2.3
192.07770	0.9
193.04950	0.9
193.08595	0.9
195.06497	2.5
201.05444	0.7
205.04930	3.9
206.05713	0.8
213.05469	1.1
216.04112	1.3
217.04904	1.3
221.07983	0.8
227.03293	0.8
228.04079	0.8
228.07368	0.6
231.06480	1.4
241.04868	1.1
243.06462	1.1
244.03606	0.9
245.04221	1.0
253.04832	0.7
255.02881	6.9
255.05522	0.8
255.06029	0.6
259.06039	2.9
267.06427	0.7
267.15839	0.8
268.16061	1.1
269.04419	3.2
271.05984	1.0
272.03290	0.8
274.04718	1.1
277.05011	0.7
283.02310	1.8
283.05838	1.3
284.03296	0.9
284.06760	1.1
285.04025	1.1
285.07425	1.4
287.05417	6.8
297.03931	2.2
297.07529	0.7
299.05331	1.7
300.02682	3.1
300.06134	0.7
301.06927	0.7
305.04419	0.8
311.05344	0.8
312.06174	3.6
313.03397	1.0
313.06934	2.0
314.07730	0.8
315.04947	43.5
316.05493	1.2
320.06604	0.8
321.07391	0.7
329.06528	2.3
330.07278	20.3
331.08371	2.9
333.03818	1.4
334.04544	0.9
335.05603	1.2
343.08282	1.1
344.08954	1.8
345.09644	100.0
346.09995	1.9
347.05548	1.0
348.06277	1.1
349.07074	1.0
359.07620	2.9
360.08240	1.4
361.03601	1.0
361.08740	0.6
363.04965	1.8
371.07538	1.3
375.04916	1.2
376.05786	0.9
377.06512	1.4
383.07886	0.9
389.02951	1.7
391.04391	2.3
392.09052	0.9
403.04263	1.5
404.05005	2.9
405.05713	1.0
417.02298	11.9
420.08182	1.1
421.09222	4.5
431.03723	1.6
432.04803	1.0
447.07147	14.1
448.07684	1.4
450.05118	0.7
451.07776	0.6
463.02353	0.8
465.07278	0.8
466.08536	0.7
467.09900	1.4
479.07996	0.6
493.07440	5.4
495.10809	0.8
503.12128	0.9
504.39240	0.6
506.21317	0.6
507.07678	1.9
522.09528	0.8
525.08142	1.2
537.12042	0.6
549.08972	0.8
553.07635	0.9
555.12634	2.5
565.10785	1.5
567.09943	1.2
571.12085	0.9
581.06995	0.7
583.12518	4.7
597.13818	1.8
599.12006	2.2
608.12866	1.0
611.11505	4.2
613.16888	4.1
615.18524	2.5
626.13599	0.9
629.16638	1.8
641.16425	44.2
642.16638	2.2
647.16418	3.0
657.15985	7.4
659.17535	1.8
674.15607	3.1
675.16431	4.3
685.15436	37.4
686.15845	2.1
703.16418	27.5
703.25793	1.0
704.15936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1644
Annotation	Podoverine B
Peak:m/z	Relative Intensity
53.03937	0.8
53.99418	0.5
55.05507	1.2
61.02877	0.6
65.03932	0.7
67.05494	3.0
68.99778	1.3
69.03407	1.3
69.07074	1.5
71.62241	0.6
79.05488	2.4
81.03409	1.9
81.07050	3.0
83.08587	0.6
85.02884	1.5
86.09695	0.5
91.05465	2.6
93.07034	2.4
95.04960	1.6
95.08603	2.0
97.02874	2.0
97.06520	1.8
97.10150	0.7
103.05483	0.8
105.07021	2.4
107.04945	1.6
107.08597	1.6
109.02851	1.2
109.06506	0.7
109.10163	0.6
113.46660	0.6
117.07018	0.8
119.08585	1.4
121.06516	0.7
121.10148	1.1
123.08089	0.9
125.05963	0.6
127.03855	0.6
131.08592	0.9
133.06485	1.2
133.10078	0.8
135.04404	1.6
136.05168	0.7
137.05978	1.6
137.09595	0.7
143.08684	0.6
145.02792	1.1
145.10068	0.8
147.04422	2.0
147.11667	0.9
149.05963	1.6
151.07515	3.6
153.05473	0.7
157.10077	0.8
159.11615	0.7
161.09677	0.6
161.13159	0.7
162.06697	1.2
163.03934	2.0
163.11259	0.7
164.04691	1.6
165.09142	0.8
167.07048	1.5
169.01320	1.8
173.06027	0.8
175.03923	0.6
175.07555	0.8
175.11018	0.5
177.05463	3.5
178.06221	5.1
179.03467	1.6
179.07010	2.3
181.08601	3.4
181.17073	0.7
185.00873	0.9
185.06044	0.6
186.01653	0.6
189.01840	0.5
191.03325	1.7
191.06992	4.6
192.07719	0.9
193.04984	1.4
193.07094	1.0
193.08557	4.2
193.12363	0.6
194.05661	0.7
195.06587	0.8
199.07370	0.6
205.04877	3.0
206.05676	0.7
217.01302	0.7
219.06618	0.7
229.04973	1.1
235.44432	0.6
236.06827	0.6
241.04991	1.3
257.04327	1.4
268.03702	0.8
269.04562	1.2
271.05991	0.7
273.07382	0.6
275.20099	0.5
278.09476	0.5
281.04385	0.8
283.02368	0.7
283.05890	0.6
284.06857	1.7
285.04077	1.3
285.07480	0.8
287.05576	1.5
289.07251	0.6
297.04013	1.4
298.04675	0.6
299.05386	1.3
300.06274	0.6
301.07266	0.7
307.05972	0.7
311.05530	0.7
312.06247	6.8
313.03397	1.7
313.06982	1.3
314.04318	1.0
314.07706	1.2
315.04999	6.5
315.08466	1.1
317.06607	3.2
325.07205	1.5
327.04913	1.1
329.06461	5.5
330.07382	3.7
331.04428	0.8
331.08026	1.7
335.05411	0.8
337.07117	0.8
339.05063	0.8
342.07254	1.3
343.08090	1.0
344.08960	0.9
345.05960	2.5
345.09616	13.0
346.06696	0.6
347.05591	0.7
349.06967	1.1
351.05042	0.7
352.05835	0.7
353.06567	1.1
357.09784	0.8
359.07599	0.7
360.08453	3.6
361.09119	2.0
364.98828	0.7
365.02954	1.0
368.08588	0.8
375.04410	0.6
376.05795	2.1
379.04199	0.8
379.08594	0.8
381.06161	1.0
387.05096	1.0
389.02875	2.2
391.04236	1.0
404.05328	1.0
405.06384	0.9
407.03836	1.2
411.07242	1.1
417.02356	1.8
419.03540	1.2
433.05771	1.3
434.06339	1.7
435.03482	1.4
437.04831	2.8
447.07156	1.7
450.05685	1.0
451.06738	0.8
452.07416	1.3
461.05063	1.6
463.02814	6.1
465.08154	0.7
466.08939	1.8
467.09750	3.8
477.04694	0.7
478.05392	2.0
479.06320	2.0
493.07568	30.8
494.07846	1.2
599.11957	1.1
627.10901	0.8
629.16443	0.8
641.16455	4.4
655.10785	2.8
657.15479	1.4
675.17010	1.2
685.15521	4.3
686.15320	0.7
703.16516	100.0
704.16650	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	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88982	1.9
53.03948	2.5
55.01853	5.0
55.05501	47.3
57.03429	13.5
57.07068	10.1
57.35308	2.0
61.02916	2.4
67.05493	66.5
69.03411	9.2
69.07056	14.5
71.04962	3.0
71.08628	4.5
71.61759	3.5
74.70079	2.1
79.05476	36.3
81.03411	5.7
81.07040	54.1
81.07489	3.7
82.03815	1.9
82.07350	2.5
83.04953	4.4
83.08605	30.9
85.02901	6.2
89.06699	1.9
91.05467	13.6
93.07025	37.1
95.04938	2.4
95.08587	29.4
97.02883	5.1
97.06535	3.3
97.10155	70.3
105.07016	8.4
107.08575	35.7
109.10124	23.5
110.10509	2.3
111.08080	3.1
117.07011	6.4
119.08559	10.0
121.10150	9.9
123.11681	5.3
125.09613	61.0
131.08560	8.7
133.10086	6.0
135.08051	6.1
135.11691	10.3
145.10112	8.8
147.11685	6.3
149.13242	4.4
153.09084	5.8
157.10030	2.9
159.11722	2.6
161.13229	5.1
163.11134	3.1
173.11850	3.0
173.13301	4.5
184.07324	3.4
187.14766	2.3
189.11198	50.6
227.12733	74.7
243.21114	6.1
245.13814	100.0
261.22141	26.0
267.66339	2.5
279.23114	4.8
313.27136	3.0
317.24530	3.2
325.68207	2.4
335.25754	76.4
342.52933	2.5
345.09830	2.8
415.94791	2.5
468.37427	14.4
487.34137	6.8
505.35110	36.6
512.23901	2.6
529.38971	3.3
641.16010	3.0
670.25134	2.7
702.44757	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	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88982	1.9
53.03948	2.5
55.01853	5.0
55.05501	47.3
57.03429	13.5
57.07068	10.1
57.35308	2.0
61.02916	2.4
67.05493	66.5
69.03411	9.2
69.07056	14.5
71.04962	3.0
71.08628	4.5
71.61759	3.5
74.70079	2.1
79.05476	36.3
81.03411	5.7
81.07040	54.1
81.07489	3.7
82.03815	1.9
82.07350	2.5
83.04953	4.4
83.08605	30.9
85.02901	6.2
89.06699	1.9
91.05467	13.6
93.07025	37.1
95.04938	2.4
95.08587	29.4
97.02883	5.1
97.06535	3.3
97.10155	70.3
105.07016	8.4
107.08575	35.7
109.10124	23.5
110.10509	2.3
111.08080	3.1
117.07011	6.4
119.08559	10.0
121.10150	9.9
123.11681	5.3
125.09613	61.0
131.08560	8.7
133.10086	6.0
135.08051	6.1
135.11691	10.3
145.10112	8.8
147.11685	6.3
149.13242	4.4
153.09084	5.8
157.10030	2.9
159.11722	2.6
161.13229	5.1
163.11134	3.1
173.11850	3.0
173.13301	4.5
184.07324	3.4
187.14766	2.3
189.11198	50.6
227.12733	74.7
243.21114	6.1
245.13814	100.0
261.22141	26.0
267.66339	2.5
279.23114	4.8
313.27136	3.0
317.24530	3.2
325.68207	2.4
335.25754	76.4
342.52933	2.5
345.09830	2.8
415.94791	2.5
468.37427	14.4
487.34137	6.8
505.35110	36.6
512.23901	2.6
529.38971	3.3
641.16010	3.0
670.25134	2.7
702.44757	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	703.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63481	0.7
55.05468	0.6
65.03901	0.8
67.05467	1.6
68.99765	1.2
69.03394	1.2
70.83640	2.2
79.05443	1.6
81.03395	1.0
81.07000	0.9
84.08101	0.9
85.02856	1.3
91.05424	2.8
93.06986	1.0
95.04920	1.6
95.08558	0.8
97.02824	2.2
97.06478	1.3
103.54823	0.7
105.06971	0.8
107.04907	1.6
107.08540	0.7
109.06431	1.1
109.10080	0.9
119.04861	0.7
121.02821	0.7
121.06444	1.5
121.10046	1.3
123.04353	1.5
125.05965	1.3
127.03838	1.0
131.04868	1.5
134.03632	1.1
135.04355	2.2
136.05165	0.9
137.05893	1.7
145.02861	1.7
145.10081	0.8
147.04340	2.8
149.05957	5.0
151.03839	1.3
151.07545	4.2
153.01747	2.3
153.05373	1.2
159.11589	1.0
161.02376	0.8
161.05930	0.9
163.03912	3.8
164.04555	1.1
165.05380	1.3
165.09105	0.6
167.06975	2.5
175.03833	1.2
177.05453	7.0
178.06223	11.2
179.03314	2.3
179.06927	2.3
181.04860	1.2
181.08522	3.0
183.02904	0.7
185.05867	1.0
189.01700	0.8
191.03357	5.9
191.04904	0.8
191.05434	0.7
191.06963	5.8
192.07663	2.3
193.04958	1.3
193.08524	0.9
195.06473	4.3
201.05418	1.3
203.03447	0.8
205.04929	9.2
206.05562	1.4
213.05396	1.0
215.06937	0.9
216.04143	2.1
217.05083	0.9
219.06474	1.3
227.07150	0.7
229.04980	1.3
231.02782	0.8
231.06395	2.0
241.04951	2.1
243.06371	1.4
245.04456	1.0
253.04716	1.0
255.02829	8.2
259.05942	2.8
265.04858	0.9
269.04544	3.6
269.07297	0.8
271.05920	0.9
273.03583	0.7
273.07535	1.0
274.04819	0.9
283.02377	2.5
283.05756	1.6
284.03027	1.5
284.06812	1.2
285.03955	1.9
285.07489	2.2
287.05493	8.0
295.05762	1.0
297.03970	2.7
298.04596	0.9
299.05383	2.3
300.02664	2.2
300.06134	1.5
301.07217	1.5
305.04260	1.1
309.03885	0.7
311.05371	1.5
312.06296	4.0
313.03503	1.4
313.06985	3.0
314.04099	1.3
314.07535	1.2
315.04953	44.5
316.05472	2.5
316.08990	1.2
319.06009	1.2
328.05679	1.3
329.06653	3.4
330.03625	1.3
330.07306	20.1
331.08041	2.7
333.03900	1.7
334.04431	0.9
335.05072	1.1
337.07040	1.0
342.07523	1.1
343.08093	2.3
344.08923	3.5
345.09644	100.0
346.10013	2.0
349.07257	1.0
350.08093	0.8
359.07504	3.3
360.08344	3.8
361.09229	1.6
363.04907	1.6
365.06750	0.8
371.07529	1.1
376.05701	0.9
377.06439	0.9
379.04248	0.8
383.07681	2.2
384.08075	1.7
385.08215	1.5
389.02802	1.7
391.04297	2.4
404.05124	2.2
405.06155	1.1
417.02283	9.8
421.09244	4.9
431.03732	1.5
432.04575	1.7
437.05270	1.6
447.07211	13.2
448.07986	1.0
451.06540	1.2
465.07495	1.3
466.08990	0.9
467.09363	3.6
483.09760	1.2
493.07236	1.1
507.08496	1.0
525.07788	1.6
535.06439	0.9
539.10297	0.8
553.07880	0.9
555.12494	3.3
565.11285	1.7
567.09314	1.4
583.12311	4.7
599.11975	2.1
608.13300	1.1
611.11670	4.3
613.16602	2.2
615.17609	0.9
626.14423	1.1
627.12726	1.6
629.16449	1.6
631.16962	2.2
637.09460	0.9
639.12042	1.3
641.05658	1.8
641.16437	39.0
642.16724	2.2
647.16180	1.1
655.10931	1.8
657.16034	6.2
659.16913	2.9
660.14569	1.6
671.13812	6.6
674.15118	1.5
675.16626	9.6
685.15369	30.9
703.16455	59.3
703.28888	2.0
704.17175	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	702.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01838	0.4
55.05494	1.2
57.06812	0.5
57.07068	7.1
58.06584	2.2
62.92353	0.3
65.03931	4.3
67.05483	1.1
68.04987	0.4
69.03391	0.9
69.07054	0.8
70.06582	21.0
71.08617	3.0
71.08949	0.5
71.60458	0.4
72.08121	0.7
78.74532	0.4
79.05455	1.0
81.03391	0.6
81.07047	0.8
81.16228	0.3
83.08569	0.5
84.00401	0.3
84.08117	1.2
85.06525	0.3
85.10161	0.8
85.83686	0.3
86.09675	0.9
88.07618	19.7
91.03990	0.3
91.05447	0.9
93.07012	1.0
95.04945	1.2
95.08578	0.7
97.02835	0.5
102.09163	14.9
105.03376	0.5
105.07027	1.0
107.08598	0.6
109.06501	0.6
117.07030	0.5
119.08563	0.8
121.02823	1.7
131.08522	0.6
132.10193	1.7
133.02739	0.5
139.03888	2.1
145.10066	0.5
146.11739	2.3
147.04373	0.8
147.11810	0.4
149.02324	66.3
149.03410	5.3
150.02728	0.5
175.03888	1.5
177.05486	0.6
193.04941	32.2
194.05344	0.4
212.23676	1.1
219.06499	1.4
225.05357	0.8
237.07529	4.8
256.26312	48.5
257.26733	1.1
262.67868	0.4
263.09137	0.9
269.04398	0.6
291.19473	0.6
297.03851	1.4
300.28931	7.9
313.07123	1.1
315.05011	0.6
341.06476	4.7
341.10217	0.5
345.09702	1.1
359.07620	2.2
385.09131	10.7
386.09778	0.4
387.10724	0.9
403.10193	11.6
429.11768	19.6
430.12177	0.8
473.14417	13.2
474.15411	0.4
612.24707	0.4
640.34656	1.5
684.37024	1.7
702.38367	100.0
703.38672	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	702.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01869	0.6
55.05502	5.2
57.03434	2.9
61.02908	1.3
65.03928	0.7
67.05507	3.5
69.03410	0.7
69.07050	2.0
71.04993	0.5
71.60498	0.9
79.05476	3.2
80.04996	4.2
81.03412	1.8
81.05785	1.9
81.07041	4.5
82.06568	24.5
83.04964	1.0
83.08607	1.5
84.08121	1.8
85.02878	1.8
91.03938	1.1
91.05479	3.7
93.07036	2.5
95.04935	1.7
95.08587	2.7
97.02873	4.5
97.06494	1.6
97.10152	1.1
103.47187	0.6
105.07014	2.1
107.08630	1.4
108.08102	7.7
115.05439	1.0
119.04884	0.7
119.08540	1.5
121.02967	0.5
121.10152	0.8
123.04466	0.9
123.09209	0.8
124.03941	1.1
125.09648	0.6
127.03939	0.8
129.07019	1.8
131.04973	1.1
131.08566	0.7
133.06520	0.8
133.10115	1.1
137.05962	1.3
141.06981	2.0
143.04922	1.2
144.05716	1.0
145.02881	0.8
145.06444	1.3
147.04408	1.6
147.11717	0.7
148.05164	1.2
149.09673	0.7
152.06158	0.7
153.07030	1.9
155.08562	1.8
156.05664	0.7
157.06465	1.3
159.04361	1.0
160.05191	2.2
161.05959	9.8
162.06758	1.7
165.06935	4.4
167.08569	2.4
168.05687	0.9
169.06425	3.1
171.08098	1.3
172.05154	3.7
173.05960	12.0
174.06723	5.2
175.03944	1.9
175.07497	1.1
175.11125	0.8
176.04694	1.0
177.05461	2.5
178.06248	0.9
179.08485	0.9
181.06454	7.6
182.07143	1.1
183.04420	0.6
183.08046	3.6
184.07286	0.6
185.05974	4.9
186.06702	3.1
187.03851	0.6
187.07556	2.3
188.08299	0.9
189.05516	1.3
191.07011	0.8
191.08604	1.1
193.06406	3.7
193.08034	0.5
193.10172	0.7
195.08020	6.8
197.05931	5.7
198.06728	1.8
199.07516	9.6
199.09291	0.7
200.08241	1.5
201.05421	1.2
201.09122	2.5
203.03453	1.2
205.06517	1.1
207.08038	2.1
209.05949	3.8
209.09505	0.9
210.06769	1.9
211.07516	17.0
212.08090	0.8
213.05562	3.1
213.09056	10.5
214.09869	1.7
215.06960	1.5
219.08089	2.2
221.05989	1.6
223.07504	5.0
224.08261	1.3
225.05469	3.9
225.09096	2.3
227.07065	3.3
227.10722	0.9
229.04953	0.9
233.04410	2.3
235.07555	2.2
237.05417	4.3
237.08984	2.8
237.12762	1.1
239.07018	5.1
239.10591	1.1
241.04916	3.6
243.06453	0.6
247.07504	1.6
247.11176	0.8
251.07060	4.0
251.10710	1.6
253.04936	1.9
255.06429	3.4
255.13824	1.5
256.14554	13.8
257.04340	1.1
259.05908	0.7
261.09067	1.2
263.07071	1.1
265.04947	1.8
265.08701	1.8
265.12082	1.3
266.12985	4.9
267.06519	4.5
268.08337	0.9
271.06128	1.6
275.06946	0.9
275.14508	0.7
277.12247	0.8
279.06586	2.8
279.13776	1.0
283.05984	22.2
283.13269	1.1
284.14044	15.8
285.07632	1.0
285.12527	1.1
289.12296	0.8
293.07953	1.0
293.15372	2.4
297.07529	1.5
302.15042	4.9
303.13800	2.6
305.15518	1.0
307.13217	1.1
313.12167	1.1
321.14758	7.1
323.16370	1.6
325.14349	0.8
331.13251	2.2
339.15866	4.2
349.14334	7.3
351.12286	0.8
358.17853	1.6
359.12814	2.1
367.15402	7.0
376.18814	0.7
377.13812	13.6
395.14813	11.6
413.15933	7.5
469.18533	4.9
487.19516	16.1
505.20624	100.0
506.20999	3.1
685.19946	1.1
691.86224	0.7
702.25916	1.2
703.21094	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	701.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72934	0.3
57.03430	0.4
63.02367	0.7
66.83875	0.4
69.03403	0.8
70.06582	0.4
70.18469	1.0
70.18879	0.9
78.04716	0.4
78.12613	0.4
79.05488	0.6
81.03410	2.4
84.08108	0.4
85.02879	1.6
89.03900	5.3
91.05455	0.9
92.60297	0.4
93.07018	0.5
93.27895	0.3
95.04944	0.9
97.02880	4.7
98.21449	0.4
103.05449	0.8
105.03346	0.5
105.07011	0.4
109.02874	0.8
111.04393	0.5
117.03358	16.4
119.05016	0.3
121.06437	0.7
122.03636	0.8
129.06874	0.4
131.04887	1.5
133.06450	2.0
134.03619	0.9
135.04416	1.3
135.08043	0.5
137.05960	13.7
138.06299	0.4
145.02827	46.9
146.03169	1.2
149.05962	6.3
151.07561	1.7
153.05438	0.4
157.06393	0.5
161.05908	0.8
163.03888	0.9
163.07533	3.1
174.06693	0.5
175.07544	1.0
177.05444	100.0
178.05783	2.7
179.07008	0.4
186.05510	1.2
187.07462	0.5
189.09062	1.4
195.06491	6.0
203.10536	0.6
219.10181	0.7
247.09557	0.4
295.13220	1.4
303.04944	3.2
310.98929	0.4
321.09659	1.7
327.15768	1.2
339.10739	5.0
345.09833	0.4
351.15958	1.3
413.15793	0.4
505.20731	0.4
539.18713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.3
61.02910	0.7
67.00397	0.2
68.99804	0.4
69.03407	0.9
70.06580	0.3
71.58199	0.2
71.58606	0.4
78.03451	1.2
79.05488	0.2
79.53779	0.2
79.70055	0.2
80.05003	0.4
81.03415	0.3
83.67199	0.2
85.02893	1.5
88.11740	0.2
95.04956	0.3
95.08589	0.2
96.04484	0.4
97.02879	100.0
98.03214	0.6
100.07594	0.2
106.02901	6.7
109.02872	0.4
109.03682	0.2
111.00817	0.4
111.04428	0.3
121.02835	0.5
124.03935	9.9
127.03879	0.7
131.52917	0.2
134.28433	0.2
137.02289	1.2
149.05841	0.2
150.05511	0.5
153.01801	1.7
165.01811	0.7
168.06488	0.3
177.05463	0.3
177.23454	0.2
181.26018	0.3
183.02776	0.3
195.02896	0.2
196.06073	0.4
201.05389	0.9
206.08391	0.2
220.06015	23.2
223.47456	0.2
224.85175	0.2
229.04852	1.5
238.07072	4.0
247.06035	0.3
256.08124	0.4
257.04459	0.7
274.04620	0.3
285.03763	0.5
303.04950	33.7
304.05225	0.7
315.04645	0.3
345.05862	0.3
350.11908	0.2
382.11090	0.3
384.90234	0.2
392.36523	0.2
400.12350	13.6
406.03055	0.3
465.10150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01869	0.6
55.05502	5.2
57.03434	2.9
61.02908	1.3
65.03928	0.7
67.05507	3.5
69.03410	0.7
69.07050	2.0
71.04993	0.5
71.60498	0.9
79.05476	3.2
80.04996	4.2
81.03412	1.8
81.05785	1.9
81.07041	4.5
82.06568	24.5
83.04964	1.0
83.08607	1.5
84.08121	1.8
85.02878	1.8
91.03938	1.1
91.05479	3.7
93.07036	2.5
95.04935	1.7
95.08587	2.7
97.02873	4.5
97.06494	1.6
97.10152	1.1
103.47187	0.6
105.07014	2.1
107.08630	1.4
108.08102	7.7
115.05439	1.0
119.04884	0.7
119.08540	1.5
121.02967	0.5
121.10152	0.8
123.04466	0.9
123.09209	0.8
124.03941	1.1
125.09648	0.6
127.03939	0.8
129.07019	1.8
131.04973	1.1
131.08566	0.7
133.06520	0.8
133.10115	1.1
137.05962	1.3
141.06981	2.0
143.04922	1.2
144.05716	1.0
145.02881	0.8
145.06444	1.3
147.04408	1.6
147.11717	0.7
148.05164	1.2
149.09673	0.7
152.06158	0.7
153.07030	1.9
155.08562	1.8
156.05664	0.7
157.06465	1.3
159.04361	1.0
160.05191	2.2
161.05959	9.8
162.06758	1.7
165.06935	4.4
167.08569	2.4
168.05687	0.9
169.06425	3.1
171.08098	1.3
172.05154	3.7
173.05960	12.0
174.06723	5.2
175.03944	1.9
175.07497	1.1
175.11125	0.8
176.04694	1.0
177.05461	2.5
178.06248	0.9
179.08485	0.9
181.06454	7.6
182.07143	1.1
183.04420	0.6
183.08046	3.6
184.07286	0.6
185.05974	4.9
186.06702	3.1
187.03851	0.6
187.07556	2.3
188.08299	0.9
189.05516	1.3
191.07011	0.8
191.08604	1.1
193.06406	3.7
193.08034	0.5
193.10172	0.7
195.08020	6.8
197.05931	5.7
198.06728	1.8
199.07516	9.6
199.09291	0.7
200.08241	1.5
201.05421	1.2
201.09122	2.5
203.03453	1.2
205.06517	1.1
207.08038	2.1
209.05949	3.8
209.09505	0.9
210.06769	1.9
211.07516	17.0
212.08090	0.8
213.05562	3.1
213.09056	10.5
214.09869	1.7
215.06960	1.5
219.08089	2.2
221.05989	1.6
223.07504	5.0
224.08261	1.3
225.05469	3.9
225.09096	2.3
227.07065	3.3
227.10722	0.9
229.04953	0.9
233.04410	2.3
235.07555	2.2
237.05417	4.3
237.08984	2.8
237.12762	1.1
239.07018	5.1
239.10591	1.1
241.04916	3.6
243.06453	0.6
247.07504	1.6
247.11176	0.8
251.07060	4.0
251.10710	1.6
253.04936	1.9
255.06429	3.4
255.13824	1.5
256.14554	13.8
257.04340	1.1
259.05908	0.7
261.09067	1.2
263.07071	1.1
265.04947	1.8
265.08701	1.8
265.12082	1.3
266.12985	4.9
267.06519	4.5
268.08337	0.9
271.06128	1.6
275.06946	0.9
275.14508	0.7
277.12247	0.8
279.06586	2.8
279.13776	1.0
283.05984	22.2
283.13269	1.1
284.14044	15.8
285.07632	1.0
285.12527	1.1
289.12296	0.8
293.07953	1.0
293.15372	2.4
297.07529	1.5
302.15042	4.9
303.13800	2.6
305.15518	1.0
307.13217	1.1
313.12167	1.1
321.14758	7.1
323.16370	1.6
325.14349	0.8
331.13251	2.2
339.15866	4.2
349.14334	7.3
351.12286	0.8
358.17853	1.6
359.12814	2.1
367.15402	7.0
376.18814	0.7
377.13812	13.6
395.14813	11.6
413.15933	7.5
469.18533	4.9
487.19516	16.1
505.20624	100.0
506.20999	3.1
685.19946	1.1
691.86224	0.7
702.25916	1.2
703.21094	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	701.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
53.08112	0.2
55.05493	0.1
58.66444	0.2
63.05538	0.1
65.03932	0.2
66.21030	0.2
67.05479	0.2
68.99770	0.2
69.03445	0.3
69.07044	0.2
70.02449	0.8
79.05487	0.3
81.03403	0.3
81.07059	0.3
84.41734	0.1
85.02879	0.3
91.05466	0.5
93.07047	0.2
95.04961	0.5
97.02888	0.2
105.07014	0.3
107.04910	0.8
109.02859	0.3
109.06557	0.2
119.04945	0.2
121.06499	0.6
122.03664	0.2
122.20501	0.2
123.04423	0.3
123.08059	0.2
133.02864	0.2
135.04405	0.7
136.05182	0.2
137.06015	0.2
139.07516	0.2
145.02902	0.2
147.04375	1.2
148.05180	0.4
149.02327	0.2
149.05943	1.2
151.03915	0.6
151.07520	1.9
153.05440	0.3
161.02357	0.2
161.05992	0.3
162.03081	0.2
163.03899	1.1
164.04712	0.5
165.01836	0.2
165.05463	0.8
167.03397	0.3
167.07050	0.6
175.03920	0.7
176.04715	0.3
177.01836	0.2
177.05444	1.8
178.06200	1.5
179.03407	1.3
179.06981	1.2
181.05028	0.3
181.08618	0.7
189.01755	1.0
190.06218	0.3
191.03407	1.3
191.06999	3.5
192.07837	0.2
193.04948	1.3
194.09459	0.3
195.06566	0.5
202.02588	0.2
203.03365	0.3
205.04916	3.2
206.05765	0.3
207.02919	0.2
208.07343	0.2
209.08116	0.2
215.03358	0.2
219.06491	0.6
221.04411	0.8
222.05241	0.4
229.01323	0.5
236.06766	0.4
243.06458	0.3
245.00943	0.2
253.04875	0.3
255.02966	0.3
257.00845	0.3
257.04358	0.2
258.01685	0.2
259.02414	0.5
268.03867	0.2
269.04510	0.4
271.02505	0.2
271.05685	0.2
273.04037	0.2
282.05228	0.2
283.06107	0.2
285.03995	0.3
287.01770	0.3
288.02682	0.4
295.05975	0.3
297.04138	0.3
297.07599	0.2
299.05597	0.7
299.08987	0.2
301.07126	0.4
304.07321	0.3
305.04498	0.3
305.08087	0.2
311.05450	0.3
312.06345	0.8
313.07010	0.3
317.03036	0.5
319.06152	0.3
320.06821	0.3
325.07162	0.2
327.05051	0.6
327.08624	0.4
329.06604	1.1
329.10040	0.3
333.04004	0.2
333.07590	0.4
335.05579	0.4
336.06363	0.3
342.07309	0.4
344.09036	0.6
345.03955	0.4
345.09634	0.2
347.05539	0.8
347.09247	0.3
348.06512	0.3
349.03275	0.4
350.07956	0.3
351.04883	0.2
352.05997	0.2
353.06366	0.2
357.09848	0.9
358.04874	0.3
359.05612	0.5
359.11169	0.4
360.06317	0.4
361.07104	0.6
363.04886	0.4
363.08615	0.3
364.05859	0.5
365.02914	0.2
373.03394	0.7
374.04202	0.4
375.04993	0.7
375.09076	0.2
376.05786	0.3
377.02817	0.5
377.06650	0.6
378.07333	0.6
379.08203	0.3
387.04971	0.6
388.05701	0.2
389.02130	0.3
389.06570	3.1
391.03931	0.8
392.05124	0.3
393.05960	0.2
394.06830	0.2
399.05093	0.2
402.03580	0.5
403.04407	0.6
403.08484	0.5
404.04971	0.3
405.05856	1.1
406.07129	0.4
407.07672	1.6
415.04349	0.4
417.05969	3.6
418.06796	0.5
419.03262	0.4
419.07928	0.9
420.04257	1.2
421.09396	2.0
431.07703	0.6
432.08438	1.1
433.05429	0.6
433.10049	0.2
434.06323	0.4
435.06732	3.2
436.07834	0.5
443.03528	0.3
446.09854	1.2
447.02765	0.3
447.07410	0.2
448.07928	0.2
449.08865	2.3
450.09433	3.1
451.10080	0.5
459.07108	0.4
461.04669	3.1
462.06393	0.2
463.05579	0.2
463.11169	0.3
464.11240	1.3
465.11987	2.1
473.08566	0.2
475.06546	0.5
476.07349	0.3
477.08057	1.5
478.08203	0.2
479.09540	0.5
481.11230	0.4
491.09653	3.9
495.08765	0.3
496.09341	0.3
505.10968	0.2
509.10889	0.3
535.06641	0.3
539.09747	0.2
551.09583	0.2
552.07977	0.2
567.09314	0.4
577.08057	0.2
579.08997	0.2
583.12347	0.5
585.10114	0.2
591.08868	0.2
595.08331	0.7
597.13135	0.6
607.09821	0.2
609.12402	0.2
611.11981	0.5
613.09808	0.4
615.14764	0.9
620.08942	0.2
621.10400	0.3
623.07867	1.4
625.13458	1.3
627.11285	0.2
637.13141	0.7
638.10797	0.2
639.11676	0.3
640.13300	0.2
641.09070	0.8
643.14459	1.6
651.15210	0.2
653.12720	3.8
654.13678	0.3
655.14008	2.0
656.11694	0.2
668.15131	0.6
669.16022	0.4
671.13837	4.8
672.13837	0.3
673.19128	0.4
685.14868	0.6
686.16174	0.8
687.49261	0.2
701.18518	100.0
702.18860	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05485	0.5
61.02922	0.4
65.03928	0.4
67.05486	0.6
69.03415	0.8
70.00313	0.5
70.00718	1.5
70.06575	0.7
79.05482	0.4
81.03405	0.8
81.07055	0.5
85.02895	1.1
88.03954	0.3
91.05468	0.7
95.04961	1.5
95.08554	0.5
97.02881	100.0
98.03202	0.8
98.20809	0.4
104.68141	0.3
105.03380	8.0
105.07035	0.7
107.04935	0.7
109.02846	0.6
111.00779	0.7
111.04391	0.5
117.03343	0.7
121.02832	0.8
121.10167	0.5
121.73576	0.4
122.03678	0.4
123.04431	0.8
127.03874	0.7
131.04944	0.4
131.21849	0.3
137.02309	3.4
137.05946	2.0
145.02826	2.4
147.04390	1.1
149.02319	0.6
153.01797	3.7
157.66452	0.4
163.03935	1.1
165.01804	2.0
167.07014	0.5
171.08046	0.4
173.06093	0.4
177.05449	4.8
177.08873	0.3
183.02812	0.7
187.03888	0.5
197.03194	0.4
201.05438	1.4
219.06563	0.9
229.04961	4.7
237.07642	1.1
247.05951	0.8
257.04523	2.7
259.05936	0.4
271.05948	0.4
274.04672	0.6
285.03879	1.2
287.05435	1.5
300.72382	0.4
303.04956	94.8
304.05188	2.5
313.03326	0.8
315.04907	2.4
327.04654	0.4
329.06577	0.6
331.04480	0.5
331.08255	0.4
341.06458	0.5
345.05917	1.6
345.09784	1.3
355.08353	0.5
359.11252	0.4
369.05832	0.8
381.05981	0.4
447.09167	0.9
449.47125	0.4
465.10248	1.5
537.64001	0.4
539.14447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01857	0.5
55.05500	0.9
57.03428	0.4
57.07065	0.4
67.05500	2.2
68.99788	0.7
69.03414	1.4
69.07047	0.9
69.61002	3.1
70.06557	0.4
73.43877	0.3
78.88098	0.4
79.05481	2.5
81.03410	1.5
81.07036	2.2
83.04980	0.4
83.08595	0.7
85.02901	0.6
91.05450	1.9
93.07036	1.7
95.04958	1.5
95.08624	1.0
97.02898	1.4
97.06506	0.6
102.17489	0.3
105.07027	1.8
107.04952	1.1
107.08597	1.3
109.02904	1.1
109.06516	0.6
109.10133	0.9
111.08080	0.4
117.07002	0.4
119.04945	0.8
119.08618	1.2
121.06543	0.6
121.10044	0.8
123.04413	1.2
123.08083	0.5
127.03873	0.7
131.04921	0.9
131.08568	0.8
133.06496	0.5
133.10109	0.9
134.03632	0.5
135.04443	1.1
135.08064	0.4
135.11694	0.5
137.06000	1.1
145.02820	0.9
145.06491	0.6
145.10146	0.7
147.04414	1.1
147.08020	0.5
147.11699	0.4
149.02350	0.9
149.06000	1.1
149.09583	0.9
151.07509	0.7
153.01772	2.6
157.10146	0.5
159.11716	0.5
161.02408	0.6
161.05994	1.1
163.03894	2.4
164.04677	0.6
165.01817	0.5
165.05583	0.5
165.09091	0.5
167.03415	0.9
167.07002	1.0
169.10147	0.5
171.11679	0.4
175.03894	1.0
177.05472	4.2
178.06236	4.2
179.03326	0.8
179.07030	0.5
181.04950	0.9
185.06000	0.8
191.03424	1.3
191.07004	4.8
191.14368	0.5
192.07780	0.8
195.06479	0.6
197.05957	0.6
199.07568	0.6
203.03337	0.6
205.05005	1.7
213.05550	0.6
215.03488	0.5
221.94431	0.4
225.05444	0.6
227.06989	0.6
228.04175	0.7
229.04994	0.8
231.02974	0.5
239.06924	0.5
240.04115	0.5
241.04933	1.1
243.02856	0.5
243.06589	0.7
253.05057	0.8
254.05766	0.5
255.02846	0.5
255.06583	1.1
257.04504	1.0
258.05115	0.7
265.04889	0.5
266.05795	0.6
267.02960	1.0
267.06631	0.6
268.03745	0.9
268.07224	0.5
269.04501	2.1
269.08145	0.6
270.05139	0.6
271.02487	1.0
271.05994	1.0
271.09726	0.6
273.07550	0.6
281.04590	0.6
281.08231	0.5
282.05197	0.7
283.02692	0.9
283.06027	2.5
284.03183	0.7
284.06824	0.9
285.03952	2.1
285.07605	1.1
286.04697	1.0
287.05374	0.7
295.06146	1.0
297.04001	3.1
297.07587	1.3
298.04681	1.6
298.08188	0.7
299.01871	1.6
299.05542	1.8
299.08856	0.9
300.02737	0.5
300.06210	0.5
301.03693	0.7
301.06967	4.1
309.04071	0.8
309.07605	0.9
310.04556	0.5
311.05560	2.1
311.08902	0.6
312.06186	3.4
313.03455	3.8
313.07111	5.8
314.04187	2.3
314.07748	0.7
314.11307	0.5
315.05045	3.0
315.08517	0.9
325.07028	2.1
326.07828	1.1
327.05026	3.7
327.08694	2.2
328.05893	1.1
329.06546	8.3
329.10239	0.9
330.07315	0.8
331.07922	1.5
341.06503	0.7
341.10391	0.8
342.07333	0.8
343.07892	1.9
344.08865	5.9
345.09723	3.1
357.09659	1.4
359.11295	1.1
360.08673	0.5
567.04858	0.4
581.06689	0.5
611.11731	0.5
613.09668	1.3
622.10638	0.4
623.08807	0.6
625.09521	2.0
639.11340	1.0
641.09161	3.2
643.14856	1.9
645.16345	0.5
653.12738	0.7
655.14667	3.2
655.41943	0.4
656.12292	0.7
671.13806	10.3
672.14160	1.5
673.15442	1.0
685.15424	0.7
686.16382	0.8
700.36609	0.6
701.18524	100.0
702.18964	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	701.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
61.40225	1.5
68.99792	2.2
70.55096	5.6
71.99072	1.4
79.05448	2.5
81.03381	2.4
81.07014	1.4
85.02905	1.5
91.05465	3.0
94.52789	1.3
95.04944	2.6
95.55559	1.4
97.02885	2.3
97.06526	2.1
102.85248	1.3
107.04917	3.3
109.06488	2.3
109.10122	1.9
110.41566	1.3
117.03352	1.8
121.06481	1.7
123.04408	1.9
125.05975	2.9
136.05193	1.6
136.06107	1.4
137.05943	6.3
139.07463	1.7
145.02785	2.8
147.04373	4.2
149.05920	3.7
151.03841	4.7
151.07550	7.3
152.04671	2.6
153.05476	7.0
163.03888	3.4
165.05457	3.4
167.06999	4.8
168.07832	7.3
175.03922	1.9
177.05455	10.5
178.06253	6.0
179.07051	2.9
181.04837	2.7
181.08595	3.6
189.05394	2.0
191.03372	2.2
191.06975	5.8
193.04958	6.0
195.06517	52.1
198.05237	3.4
209.08063	2.8
218.77251	1.3
233.72359	1.4
265.04733	2.2
266.05557	1.8
269.04178	2.0
277.04907	2.2
279.06506	1.7
293.04428	1.7
297.03809	1.8
305.04489	2.0
307.05975	2.8
308.06555	2.1
312.06256	2.6
315.08517	1.6
319.05777	1.6
320.06763	1.9
321.03833	2.5
322.04849	1.9
331.08054	3.1
333.03879	3.4
335.05408	5.8
336.06360	2.9
337.07089	1.7
343.08197	7.9
345.03882	2.5
345.09641	4.0
347.05399	3.5
348.06052	1.8
349.03345	3.5
350.08026	1.7
351.04898	2.7
352.05719	2.6
363.04861	6.5
364.05774	2.9
365.06757	2.1
373.03290	2.1
375.04950	3.1
376.05734	5.1
377.02817	5.0
377.06760	2.5
379.04352	4.3
379.08456	2.2
383.07578	5.6
389.02774	5.2
391.04440	7.0
392.05362	2.7
393.05670	3.0
393.10141	2.4
403.04254	2.2
405.01959	2.8
406.07083	2.2
407.08133	6.7
419.03894	6.2
421.05173	3.3
431.03986	3.2
435.07321	17.6
436.07565	1.6
437.09067	8.0
446.06174	6.1
447.02878	8.7
449.03992	15.4
450.05676	2.5
462.05991	2.1
463.02286	2.5
465.08212	10.7
466.08551	2.4
475.03079	4.7
477.08652	9.9
479.09717	20.1
483.07556	1.7
487.06979	1.9
488.30011	1.6
491.05951	18.5
492.06055	3.0
493.07706	17.1
505.00931	2.6
505.07632	33.9
506.07932	3.9
509.07660	8.5
511.06485	1.8
512.07214	1.8
521.04449	2.9
533.06995	13.6
537.06360	1.5
541.10571	2.2
549.04297	2.2
555.08716	2.6
565.07318	3.5
566.08136	2.3
567.05176	2.9
569.07617	2.6
571.12805	1.7
581.11023	6.9
583.08594	8.4
587.11218	2.4
597.09717	4.6
599.11078	5.0
611.07819	4.3
613.13916	6.6
614.10986	2.2
615.10919	4.8
623.11890	2.1
625.10028	1.7
627.07062	16.7
629.14886	4.7
641.13177	10.5
642.09961	10.1
642.88239	1.9
643.10767	12.0
645.15979	94.9
646.16187	8.6
655.14075	5.1
657.12262	32.4
658.13196	7.1
672.14679	90.7
673.15356	100.0
674.16058	9.1
701.14679	33.4
702.14404	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	701.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03414	0.5
61.02916	6.0
61.10710	0.5
63.02407	0.4
65.03932	0.6
69.03405	1.6
69.42841	3.7
73.02926	2.1
81.03404	1.9
85.02898	4.6
89.03902	0.8
91.03949	2.1
91.05456	1.3
96.16552	0.5
97.02871	2.7
109.02842	0.8
110.31651	0.4
119.04916	0.9
121.02834	1.9
123.04409	1.7
127.03896	1.8
133.02771	0.6
135.04402	1.4
137.02333	30.6
137.03395	2.1
139.89395	0.5
143.04927	0.6
145.02837	1.9
147.04388	2.0
149.02350	0.8
153.01833	1.0
159.04388	0.6
161.02274	0.7
161.05946	0.9
163.03857	3.5
165.01811	1.6
170.36873	0.5
171.04362	0.6
173.02371	0.7
175.03926	0.4
176.04713	0.4
177.05350	0.6
185.05994	0.5
187.03859	1.6
189.05486	0.8
191.03401	4.1
199.03944	0.8
203.03510	0.6
205.04892	0.5
207.02914	1.7
211.03940	0.8
213.05415	1.3
215.03386	4.1
216.04153	1.0
217.04913	0.6
219.02856	2.4
221.33482	0.5
223.03931	0.6
225.05444	0.9
227.03389	0.8
229.04932	1.7
231.02975	0.6
237.05362	1.3
239.03377	1.0
241.04834	0.5
243.02878	1.8
245.04367	0.6
247.07668	0.7
253.04953	1.5
255.02892	1.4
255.08374	0.5
257.04459	1.6
261.03958	1.0
263.07016	0.7
265.04993	1.5
269.04474	1.0
271.02423	2.3
273.04001	1.0
274.04578	0.7
275.06918	0.7
279.02820	1.0
279.06726	0.5
281.04382	2.4
283.02408	1.5
285.03937	0.9
287.07153	0.8
291.03116	0.8
293.04297	1.0
295.06180	0.5
301.03525	2.1
302.04156	4.2
303.04807	9.6
307.05823	0.6
309.03961	1.4
311.05334	0.5
315.06049	0.5
321.07578	0.8
327.06479	0.7
329.02945	0.6
329.07355	0.8
331.06088	2.1
335.05469	0.5
337.07053	1.0
339.05435	1.3
345.07532	0.7
349.07141	1.8
353.02753	0.5
355.05643	0.9
359.05518	1.4
361.06915	0.7
365.02811	0.7
365.06931	1.0
371.04300	0.6
373.07019	1.5
375.08731	0.8
377.06552	4.4
382.06778	0.8
383.05157	0.6
385.07236	0.8
387.04834	2.0
389.06625	0.8
391.08167	0.9
393.05981	1.6
401.06622	2.7
403.07996	1.2
405.05936	7.3
407.07867	1.1
409.05286	0.8
410.06357	4.6
413.06607	0.6
419.07425	1.2
421.05527	11.8
422.05930	0.5
429.06018	4.0
430.06384	0.7
431.07489	1.4
433.05490	11.1
434.06003	0.6
447.06958	3.2
449.08511	1.7
457.05472	3.9
458.06207	0.9
459.07004	2.2
461.05115	1.0
465.07953	3.9
475.06476	8.0
476.07129	0.5
477.08182	1.0
479.06015	4.0
485.04929	1.2
493.07498	1.6
503.05997	5.6
521.07117	48.5
522.07434	2.1
539.08148	100.0
540.08472	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	701.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08630	1.5
54.37759	1.6
57.03006	1.7
57.04304	1.8
60.27283	1.6
68.99775	5.9
69.07059	2.1
71.59408	3.7
79.05482	5.2
80.00340	1.7
81.03387	4.4
82.94273	1.8
89.36961	2.2
90.25599	1.5
91.05446	2.8
93.07016	2.6
95.04962	3.4
95.08544	2.2
97.02894	3.8
97.06511	2.7
103.05451	2.1
105.07018	3.5
107.04923	5.6
110.03580	2.0
117.06952	2.6
119.04917	2.1
121.02788	3.1
121.06435	4.7
123.00790	2.2
123.04421	2.0
125.05956	3.3
126.30575	1.7
131.04904	2.3
133.06485	3.4
135.04381	5.6
136.05212	1.8
137.02335	1.9
137.05975	4.5
139.82620	1.7
141.01901	1.7
145.02792	5.2
145.03880	2.2
145.06502	2.2
147.04422	9.0
148.05093	3.3
149.05945	5.9
151.03886	2.6
151.07503	13.3
153.05432	5.0
157.20677	2.2
161.05952	3.8
162.06728	4.3
163.03859	8.3
164.04668	3.7
165.09038	2.0
167.06990	5.4
175.03912	5.9
175.07457	1.8
177.05467	20.3
178.06230	22.9
179.06960	11.2
181.04909	1.8
181.08597	6.4
185.05888	2.3
189.01787	2.2
189.05421	3.8
191.03368	7.2
191.07011	17.0
192.07739	2.7
193.04939	3.5
193.08531	3.9
195.06502	15.3
197.60457	1.8
199.03949	2.2
201.05348	2.7
202.32318	1.7
205.05002	9.9
205.08577	3.5
206.05569	8.5
209.08025	5.0
213.05428	3.6
215.06914	2.1
218.05702	2.1
219.06351	2.7
221.06139	2.4
221.08066	10.1
224.04810	2.4
227.03407	4.5
229.04916	4.2
230.05611	1.9
231.02718	2.6
231.06615	2.5
236.04486	2.0
239.03174	2.6
241.04868	5.4
243.06592	5.7
246.05179	5.5
252.04065	2.2
253.04886	3.6
254.05705	2.2
255.02969	2.4
255.06439	3.2
257.04385	2.8
259.05991	2.7
269.04416	5.4
270.05029	2.2
271.05963	5.8
274.04614	4.5
281.04422	5.3
283.02505	2.7
283.05850	3.7
284.06760	6.2
285.03790	5.0
285.07239	2.4
286.04688	5.3
287.05374	2.6
287.23184	1.8
288.06387	2.4
293.04434	2.9
295.05869	2.7
296.06763	4.6
297.03922	9.3
297.07059	1.9
299.05511	4.1
300.06342	4.5
301.03555	2.4
301.07220	3.4
305.04358	2.3
307.02460	2.3
307.05847	3.1
309.03885	7.0
309.07364	3.4
311.05463	3.5
312.06238	5.4
313.03378	8.7
313.06891	4.5
314.07730	3.2
315.05032	4.0
315.08539	6.7
316.05637	6.4
317.05988	2.0
319.08078	6.4
321.03735	5.0
323.01886	3.7
323.05493	4.7
325.03323	6.8
325.06979	4.1
327.04947	3.5
327.08582	2.4
328.05670	8.2
329.06320	3.3
331.08118	26.9
335.05270	2.7
337.03336	5.9
337.06946	2.6
339.04971	2.5
340.05719	5.2
341.02887	4.9
343.08081	93.5
344.08664	4.1
345.09671	7.5
347.07620	3.5
349.03265	3.9
349.07056	2.5
351.04843	2.6
352.05716	7.9
353.02802	16.7
353.06641	6.4
355.08099	6.4
359.07520	23.8
360.08383	11.4
361.08429	2.0
363.04794	4.7
367.04025	2.1
368.05362	6.9
371.07626	10.9
377.02603	3.5
379.04147	8.8
383.07565	100.0
384.08289	21.0
405.02133	2.8
407.03903	6.3
407.34088	2.2
409.09048	5.2
419.03906	2.7
435.03009	4.9
435.08328	2.4
437.08636	12.9
457.53351	1.9
463.06094	4.4
465.08224	31.7
466.08505	2.4
477.07712	3.1
479.09830	3.2
495.05991	2.3
505.07214	5.1
513.08081	2.6
541.07642	1.8
553.10651	2.7
571.12347	3.3
581.10901	2.8
583.07544	2.7
585.13831	3.3
597.10059	2.7
599.11469	5.7
601.16705	4.8
609.09912	2.8
613.13995	3.9
615.11359	9.2
617.16687	3.3
625.09760	3.1
627.06287	2.9
629.16516	55.5
630.16473	3.3
639.14459	6.1
645.06000	3.3
645.15948	56.6
646.15845	3.8
655.14703	12.4
657.16089	27.4
659.14264	2.5
672.14923	10.8
673.15436	44.2
674.15387	6.9
683.13116	3.7
701.14661	60.9
702.14508	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	698.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01873	2.0
55.05504	32.4
57.03436	10.8
57.07069	18.4
61.02916	22.7
65.03915	1.3
67.05137	2.8
67.05492	36.4
69.03419	3.6
69.06689	2.9
69.07058	50.4
71.05006	1.5
71.08622	12.8
71.64027	2.2
73.02915	8.3
75.49324	1.4
79.05482	19.9
81.03414	6.4
81.07045	50.5
81.99956	1.6
83.08611	36.5
83.52805	1.9
85.02895	28.7
85.10169	6.1
91.03938	23.3
91.05474	4.4
93.07028	29.6
95.04939	2.9
95.08594	48.8
97.02869	14.1
97.06516	10.5
97.10152	24.6
99.08091	3.5
101.90023	1.8
105.07034	3.4
107.08585	16.8
109.10134	26.1
111.08060	8.5
111.11730	8.6
112.95844	1.4
113.09584	1.6
115.03957	1.7
119.08574	2.4
121.10125	41.5
123.11675	9.2
125.09634	4.5
125.13236	2.6
127.03887	10.2
131.08528	2.2
133.10054	1.7
135.11670	32.8
136.06171	69.4
137.13248	4.7
139.11147	2.8
145.04953	11.4
149.13228	12.4
149.53458	1.7
151.14772	3.8
153.12733	2.5
157.12180	1.7
163.05959	18.4
163.14793	6.7
165.16362	4.6
177.16307	4.7
191.17955	3.3
193.85355	1.5
210.51717	1.6
247.24181	33.2
265.25226	91.7
266.25531	4.5
267.15891	2.0
283.26309	19.8
318.37411	1.7
335.25742	3.0
339.28897	100.0
340.29233	4.4
357.29935	46.7
370.50641	1.6
501.33807	4.0
698.44836	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	698.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05503	9.3
57.03410	2.5
59.06120	10.7
59.43499	1.0
60.05640	1.7
67.05508	1.6
68.64236	1.3
68.94269	1.2
68.99784	1.2
69.03405	7.2
70.06575	4.7
71.60200	1.8
81.03396	2.0
83.04974	1.7
83.08602	8.7
84.08148	1.9
85.02892	4.8
86.09669	1.2
87.04449	3.7
97.02883	7.7
100.07603	4.0
100.11241	40.2
101.07987	1.3
101.11575	3.9
107.04913	1.6
111.04443	5.5
112.04807	1.1
115.03913	2.5
117.13879	1.3
121.06501	1.5
123.04433	2.2
125.05970	1.3
127.08609	1.4
128.07043	3.7
133.04930	3.1
137.02338	4.6
137.05881	1.4
139.03847	7.0
139.07542	2.8
139.08649	1.6
140.07071	1.7
145.02855	2.0
147.04391	1.8
151.07489	5.7
153.01810	23.8
153.05431	8.1
154.06219	2.1
162.05550	1.4
163.03922	3.4
164.04631	2.3
165.01796	4.8
165.05515	1.2
167.07037	13.6
168.07787	11.5
177.05389	6.1
178.04916	1.5
178.06241	8.8
179.03343	1.3
179.06952	5.3
180.07292	1.1
181.01289	2.6
181.08623	3.1
182.15392	17.4
183.15770	1.5
191.03258	1.4
191.06990	1.9
192.10059	1.4
193.04950	1.5
194.04463	3.7
194.09480	1.7
195.06509	3.8
195.10130	2.7
199.04002	1.6
205.04955	2.2
205.08612	7.8
206.08865	3.6
207.06508	2.0
209.16478	8.5
210.09105	1.8
210.14851	17.6
210.16692	1.5
211.15158	3.2
213.05431	1.9
217.04964	1.5
218.04424	2.4
219.02768	1.5
220.05959	1.4
220.09636	1.9
224.12825	3.6
226.19043	1.6
227.03284	1.2
227.17570	1.9
228.04170	2.0
229.04930	2.9
230.04480	3.6
231.02917	1.8
231.06445	1.4
234.11124	1.6
236.05447	2.0
241.04913	4.7
242.05678	1.9
243.02917	3.5
243.06194	1.3
245.04390	2.1
246.04810	1.2
251.05829	1.3
255.02829	5.1
255.06718	2.2
256.03354	1.9
257.04309	1.9
258.05173	2.1
260.09134	2.6
268.03513	1.5
268.06027	2.7
269.04388	5.4
269.06903	2.2
270.04941	2.5
271.02484	2.4
271.05884	3.3
273.07617	3.1
280.06018	3.4
282.04678	1.7
283.02380	3.4
283.05685	1.8
284.03116	1.7
284.06384	2.8
284.09308	2.3
285.03802	4.2
286.07220	1.9
287.05356	5.6
294.07510	1.7
295.05789	1.9
296.05832	2.3
297.03836	3.9
297.06393	5.0
298.04608	5.1
299.05392	4.7
300.02499	2.4
300.05664	2.1
300.08713	2.4
301.03625	2.5
301.06952	11.4
303.04953	4.6
305.10208	9.0
308.05688	2.0
310.03946	1.5
311.05460	2.3
312.06018	7.5
312.09216	10.7
313.03372	3.9
313.06686	1.9
314.06665	3.3
315.04950	24.7
315.08411	3.0
316.05356	6.6
317.06549	7.1
322.07300	2.0
323.05463	2.5
324.04865	1.5
325.05887	3.3
326.28052	1.7
327.08554	1.8
328.08163	4.6
329.06387	19.5
330.06989	11.5
331.04379	11.7
331.07977	14.8
332.08682	1.7
333.09662	9.1
336.22836	1.4
339.05161	4.0
340.08206	28.4
342.09372	1.7
343.08090	8.1
343.11661	1.3
343.30777	1.6
344.07968	1.7
344.11578	3.3
345.09628	76.4
346.06674	5.9
346.10016	23.7
354.09628	3.6
355.08124	3.6
356.07584	6.0
358.12939	1.5
359.11169	1.8
360.10800	5.2
361.09094	100.0
362.09290	3.5
369.09692	8.6
370.09119	2.4
371.09674	2.2
372.10754	38.0
386.12302	51.3
386.17358	2.4
387.11151	5.4
388.13342	1.3
402.06943	1.7
403.12253	2.1
404.13736	19.1
414.06866	2.6
414.17453	1.2
429.05933	1.7
430.06332	4.2
445.09137	2.9
446.09354	4.0
450.12790	1.7
457.05606	4.0
458.05771	8.3
464.10269	3.2
472.07813	2.0
473.08200	3.5
488.10400	2.7
505.11304	19.0
506.11566	65.6
507.11755	5.1
524.12567	1.8
566.18372	4.8
624.19360	1.4
666.19763	1.6
697.52203	34.5
698.17645	2.1
698.52435	29.4
698.64594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41525	0.1
69.03398	0.1
72.34174	0.1
81.03380	0.2
81.07053	0.2
91.05441	0.2
98.20737	0.3
105.93536	0.1
107.04929	0.3
111.04412	0.2
117.03344	0.3
135.04399	0.2
137.05952	0.8
140.04688	0.2
145.02829	0.5
147.04385	0.4
149.05890	0.2
151.03888	0.3
161.02336	0.3
161.05927	0.2
163.03891	1.0
167.03365	1.2
167.06993	0.7
177.01825	0.5
177.05434	1.2
178.06219	3.6
184.03627	0.2
192.04112	0.6
193.04939	0.4
197.04437	0.2
201.05386	0.2
204.04204	0.2
205.04865	0.2
213.05338	0.1
217.04854	0.3
227.07045	0.2
229.31459	0.2
230.05716	1.6
231.06580	0.4
241.04930	0.6
242.05649	0.4
243.06459	0.2
245.04376	0.2
245.08075	0.4
255.06468	0.9
256.07120	0.2
257.08133	0.6
258.05212	1.7
259.05841	0.3
267.15549	0.1
269.04404	6.1
270.05005	0.4
271.02826	0.1
273.07541	2.7
283.05920	1.9
285.07562	0.5
286.04733	1.3
287.05453	0.2
292.76212	0.1
295.05939	0.5
297.03885	1.5
297.07535	0.5
298.04642	0.7
298.08206	0.4
299.05661	0.2
300.06049	0.2
301.07022	9.6
302.07346	0.3
303.12143	0.3
307.02402	0.1
311.05429	1.9
312.06348	0.3
313.07022	1.1
314.04172	4.1
315.05005	0.2
315.08749	0.4
316.09158	0.2
325.07217	0.3
326.07755	0.7
327.08566	1.1
329.06512	45.3
330.06830	1.6
331.11652	0.3
343.08054	1.2
344.08856	16.3
345.09335	1.0
359.11194	100.0
360.11533	4.3
697.16809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52903	0.4
52.80599	0.3
53.03936	1.1
55.01874	1.1
55.05506	2.5
56.46664	0.4
57.03437	1.4
61.02912	0.8
63.02365	0.8
65.03922	0.6
67.05495	5.4
68.99789	1.4
69.03426	1.8
69.07066	1.6
70.75842	0.8
71.01340	0.4
71.05003	0.7
77.68378	0.3
78.04705	0.8
79.05488	7.4
81.03409	7.6
81.07054	6.7
83.04971	1.1
83.08620	2.3
85.02895	3.2
85.06548	0.7
86.09692	0.5
87.00806	1.1
89.03903	9.6
91.05465	8.7
93.07041	4.6
94.04179	0.7
95.04953	5.4
95.08577	2.0
97.02875	1.4
97.06522	1.2
97.10220	0.7
99.04466	0.5
103.05468	2.8
105.03396	0.7
105.04461	0.4
105.07023	5.7
106.04176	0.4
107.04961	2.6
107.08572	2.0
109.02866	0.9
109.06499	5.1
109.10153	1.6
111.04428	0.6
111.08065	0.9
115.05453	3.0
116.06258	0.3
117.03367	27.0
117.07001	1.9
118.03705	0.5
119.04936	2.0
119.08566	3.2
121.06479	1.7
121.10136	2.0
123.04421	7.4
123.08054	0.7
123.11696	0.8
124.05177	0.4
125.05954	0.6
127.03905	0.9
128.06230	1.0
129.01822	1.1
129.07019	2.2
131.04900	3.2
131.08566	1.9
133.06487	1.7
133.10110	2.6
134.03618	1.7
135.04391	3.1
135.08018	2.2
135.11684	0.7
136.23723	0.3
137.05960	57.4
138.06308	0.5
141.07014	0.9
142.07718	0.7
143.04930	0.8
143.08560	0.7
144.05679	0.9
145.02832	58.1
145.06453	2.1
145.10123	1.1
146.03250	1.3
147.04393	11.1
147.08051	0.9
147.11681	3.3
148.05185	0.5
149.05965	10.6
149.09607	0.8
150.06689	0.4
151.03859	0.9
151.07532	1.7
153.07002	0.7
155.04971	0.4
155.08533	0.6
157.06474	1.1
157.10126	1.2
159.04410	2.7
159.08022	0.5
159.11626	0.4
160.05179	3.3
161.05962	4.3
162.03123	0.6
163.03908	2.0
163.07526	8.8
163.11179	0.5
165.05499	0.6
165.06982	0.8
165.12683	0.7
167.08604	0.6
168.05640	0.4
169.06458	1.1
171.02864	0.5
171.08084	1.0
172.05234	0.4
173.05972	4.9
173.09738	0.4
174.06715	0.5
175.03903	1.1
175.07532	5.4
175.11130	1.9
176.12039	0.4
177.05446	100.0
178.05899	3.0
178.07472	0.4
181.06445	1.1
183.08052	0.9
184.05185	0.6
185.05954	2.5
185.13246	0.5
186.05467	2.8
186.06543	0.3
187.03848	0.9
187.07526	1.7
187.11070	0.5
189.03882	0.5
189.05452	4.3
189.09119	1.1
191.03383	0.5
191.06961	1.2
191.08577	0.5
193.10638	0.6
193.12198	3.1
195.07983	1.2
197.05949	1.2
199.07521	3.0
201.05409	3.2
201.09081	0.4
203.03397	0.5
203.07051	0.9
205.04929	0.9
207.08102	0.7
209.05975	0.9
210.06830	0.4
211.07513	1.7
211.13258	1.4
213.05408	2.5
213.08980	0.9
215.07002	1.4
217.04916	2.6
219.06447	5.4
219.08107	0.5
221.06068	0.5
223.07536	1.0
225.05472	1.0
225.08951	0.5
227.06956	0.9
229.04927	0.5
229.14384	0.5
231.02809	1.1
231.06451	1.8
235.07471	1.0
239.06935	1.1
241.04910	1.0
241.08612	0.9
243.06439	1.0
245.04416	1.3
247.07512	0.5
249.09096	0.5
249.14687	0.4
251.07001	1.4
253.08572	0.5
255.02774	0.5
255.06485	0.8
256.07242	1.0
257.04391	2.5
257.07886	0.7
259.09668	0.9
261.07471	1.0
263.06970	0.9
264.07761	0.7
265.05078	0.8
267.15881	4.7
269.08154	0.6
271.05975	1.5
273.11145	0.6
277.08536	0.9
278.09061	0.4
279.06683	0.6
279.10104	1.7
280.07419	0.4
281.08047	1.1
283.05902	1.4
283.09491	0.5
284.06818	0.4
285.07495	3.1
285.10812	0.8
285.17014	1.0
287.05212	0.8
293.08109	0.6
295.06293	0.5
295.09512	2.3
297.07788	0.7
297.11136	3.0
301.08664	0.4
303.08505	0.6
305.08066	0.4
307.06073	0.4
307.09521	0.4
309.07565	0.9
309.11096	1.4
312.06134	0.5
315.04950	3.3
323.09000	3.2
323.12701	2.8
327.04752	0.4
327.08499	1.0
330.07211	1.5
337.10559	0.7
339.12057	1.1
341.10065	1.6
341.13687	0.5
344.08768	0.9
345.09589	4.4
349.10532	1.1
349.14346	0.6
351.12234	1.1
353.10254	0.7
363.12091	1.3
367.07709	0.6
367.11621	1.8
367.15564	0.5
369.09317	0.6
369.13354	0.6
377.13742	1.5
378.97781	0.5
381.13120	1.1
389.09341	0.6
395.15060	2.8
397.12701	1.0
399.13876	0.4
407.09946	0.7
413.16425	0.7
425.10657	4.5
427.13678	0.8
459.14056	0.7
460.28333	1.9
467.12753	0.4
469.18634	2.4
473.09531	0.4
473.15927	5.4
477.15494	2.9
485.14200	0.5
487.19321	1.4
491.17004	0.5
505.10919	0.5
531.87311	0.4
539.16687	0.7
559.26959	0.5
569.24628	0.6
587.25787	1.2
607.19531	0.4
661.18756	0.7
661.29706	1.1
665.18597	3.1
679.19183	5.5
679.30566	2.1
696.31866	1.1
697.19989	8.8
697.32349	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	697.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03936	0.4
55.01867	0.5
55.05496	0.9
57.03426	0.2
61.02914	0.9
63.02377	0.2
65.03928	1.4
67.05501	1.8
68.99776	1.8
69.03423	1.3
69.07056	0.7
69.80836	0.9
71.01351	0.3
71.04986	0.4
74.80283	0.2
79.05487	1.9
80.21712	0.2
81.03416	2.2
81.07043	2.3
83.04979	0.6
83.08594	0.5
85.02892	0.7
87.00810	0.4
89.03907	1.2
91.05470	11.4
93.07050	1.2
95.04976	1.5
95.08614	0.9
95.43962	0.1
97.02862	0.6
97.06519	0.3
99.04462	0.3
103.05469	0.5
105.07026	1.5
107.04961	1.3
107.08582	0.6
109.02858	3.2
109.06496	1.2
109.10140	0.8
111.04444	0.2
111.08047	0.3
111.28170	0.2
115.05444	0.5
117.03365	3.1
117.07007	0.8
119.04930	22.6
119.08548	1.2
121.02858	0.4
121.06489	0.6
121.10162	1.1
123.04414	3.0
123.08048	0.4
123.11697	0.3
126.56322	0.2
127.03898	1.0
128.06169	0.3
129.01822	1.4
129.06976	0.7
131.04926	0.6
131.08549	1.0
133.06467	0.9
133.10100	0.8
134.03630	0.3
135.04408	0.4
135.08009	0.3
135.11696	0.2
137.02464	0.2
137.05956	4.7
139.07599	0.2
141.06973	1.0
143.08545	0.3
144.05667	0.5
145.02827	7.9
145.06451	1.0
145.10126	0.3
147.04390	100.0
147.11661	1.1
148.04721	1.0
149.05974	2.0
149.09561	0.4
151.07529	0.5
153.06989	0.4
155.06981	0.2
155.08464	0.2
157.06456	2.3
157.10103	0.6
157.47926	0.1
159.04379	0.4
159.08083	0.4
160.05176	0.5
161.05917	0.7
163.03917	0.3
163.07503	0.6
163.11177	0.2
163.30170	0.2
165.05434	0.6
165.06848	0.3
165.12689	0.4
167.07034	4.1
167.08429	0.2
169.05176	0.2
169.06441	1.3
171.04388	0.2
171.08052	0.4
173.05969	0.8
173.09610	0.2
175.07578	0.8
175.11128	0.3
177.05452	12.6
177.12550	0.2
178.06200	0.3
179.07002	0.3
181.06421	0.6
181.08551	0.7
183.08011	0.3
184.05240	0.2
185.05966	2.6
186.05434	0.4
187.07523	2.7
189.05449	1.4
189.09030	0.2
193.08531	0.3
193.12166	0.5
197.05739	0.2
199.07555	1.1
201.05563	0.8
203.06966	1.5
205.04930	0.2
205.08553	0.3
211.07481	0.8
211.13190	0.2
213.03954	0.3
213.05533	2.2
215.07001	0.6
217.04799	0.3
219.06473	0.6
227.07010	2.0
229.14346	0.2
231.02785	0.6
231.06490	13.9
232.06699	0.2
237.05482	0.2
239.07158	0.2
239.24670	0.2
241.04893	0.3
245.04431	0.4
245.07948	0.3
254.12331	0.2
255.06464	2.0
256.07339	0.2
257.04266	0.4
261.07507	0.3
265.08545	0.3
267.15878	0.9
271.06113	0.4
273.07538	3.5
280.35126	0.2
283.06064	0.3
285.07617	0.3
291.08716	0.2
293.08075	0.2
295.09637	0.2
297.11044	0.5
303.12225	1.5
309.11115	0.3
311.08783	0.2
315.05109	0.3
315.12067	0.2
323.08969	0.3
323.12714	0.5
327.12274	0.3
337.10544	0.6
341.10220	0.2
345.09668	0.2
346.09741	0.2
351.12473	0.2
359.07434	0.5
369.13147	0.7
377.08743	1.4
387.14008	0.2
395.09705	8.4
395.14685	0.4
411.14017	0.3
413.15744	0.4
425.10779	0.8
460.27429	0.2
473.15875	1.2
487.19080	0.3
491.16498	0.6
505.11292	1.1
550.28687	0.2
569.24396	0.2
661.28815	0.3
679.19098	0.4
679.30328	0.6
687.94519	0.2
697.19763	1.4
697.32678	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.34648	0.1
55.01864	0.4
55.05502	0.7
55.78148	0.1
57.03428	0.2
57.07063	0.1
61.02916	1.1
62.25264	0.1
62.45800	0.1
63.02368	0.2
65.03925	0.9
67.05499	1.4
68.99783	1.1
69.03416	1.3
69.07057	0.5
69.91730	0.6
71.01343	0.2
71.04973	0.3
79.05476	1.8
81.03410	1.8
81.07050	1.7
83.04977	0.3
83.08642	0.3
85.02888	0.7
85.06536	0.2
87.00827	0.5
89.03918	0.1
91.05465	10.4
93.07037	1.3
95.04960	1.0
95.08587	0.8
97.02884	0.5
97.06516	0.4
97.10163	0.2
98.21402	0.2
99.04450	0.2
99.08096	0.2
103.05441	0.3
105.07012	1.6
107.04939	1.3
107.08571	0.7
109.02853	3.0
109.06491	0.8
109.10133	0.5
111.04433	0.1
111.08073	0.2
115.05450	0.4
117.03383	0.6
117.07018	0.4
119.04925	22.9
119.08574	1.1
120.05222	0.2
121.02861	0.4
121.06484	0.5
121.07310	0.1
121.10127	0.5
123.04420	1.9
123.08081	0.3
123.11696	0.4
125.05961	0.2
125.09561	0.2
127.03905	0.9
128.06203	0.3
129.01825	1.3
129.06993	0.7
131.04901	0.7
131.08566	0.7
133.06483	0.7
133.10143	0.6
135.04373	0.2
135.08043	0.3
135.11774	0.1
137.05928	1.3
139.03906	0.1
139.07481	0.2
141.06950	1.1
143.08569	0.2
144.05734	0.3
145.02838	1.3
145.06464	0.9
145.10109	0.4
147.04385	100.0
147.11613	0.8
148.04713	1.2
149.05959	0.9
149.09561	0.5
151.07542	0.4
153.06978	0.2
153.09064	0.1
155.07027	0.2
155.08536	0.2
157.06470	1.6
157.10130	0.5
159.04353	0.3
159.08054	0.5
159.11684	0.2
160.05188	0.2
161.05908	0.4
161.09634	0.2
163.07472	0.1
165.05461	0.5
165.06870	0.3
165.12724	0.2
167.05595	0.2
167.07018	4.3
169.06448	1.5
171.04350	0.2
171.08076	0.4
173.05948	0.6
175.03868	0.2
175.07513	0.5
175.11128	0.3
177.05437	2.3
179.06993	0.3
181.06502	0.4
181.08525	0.8
183.08101	0.2
185.05936	2.4
187.07506	2.5
189.05504	1.0
189.08942	0.1
191.03410	0.2
191.07178	0.1
193.08595	0.3
193.12227	0.4
197.05962	0.2
199.03951	0.1
199.07494	0.8
201.05415	0.4
201.09229	0.2
203.03323	0.2
203.06996	1.3
205.08585	0.2
211.07573	0.8
213.03810	0.3
213.05531	1.9
215.06956	0.6
227.06984	2.0
231.02751	0.4
231.06483	14.3
232.06819	0.2
237.05496	0.2
241.04875	0.2
245.04495	0.3
249.09093	0.1
254.78366	0.1
255.06488	1.9
256.14212	0.1
257.04425	0.4
267.15930	0.9
271.06076	0.2
273.04575	0.3
273.07498	3.6
290.17691	0.1
291.08600	0.2
303.12250	1.8
309.11276	0.2
313.06519	0.1
315.04828	0.2
315.08524	0.1
315.12241	0.2
325.86987	0.1
327.12000	0.2
337.10587	0.3
345.09656	0.3
351.12354	0.2
359.07529	0.7
369.13199	0.4
377.08554	1.5
393.13104	0.2
395.09689	8.3
395.14453	0.3
396.10080	0.2
413.15637	0.2
425.10684	0.2
460.27859	0.2
467.12103	0.2
467.18350	0.2
472.07642	0.2
473.15729	0.8
487.19125	0.3
491.16577	0.6
505.11380	0.9
516.28809	0.2
517.29694	0.2
587.25641	0.2
661.29590	0.2
679.19470	0.4
679.30890	0.4
697.19330	1.4
697.32739	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	697.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
57.03392	0.6
63.64691	0.4
67.05458	0.8
69.03390	0.6
70.06557	0.6
71.62160	0.4
71.62550	0.4
79.05447	0.5
80.72039	0.3
81.06989	0.4
81.70634	0.3
83.04943	0.6
83.08578	0.3
85.02872	0.5
90.80807	0.3
91.05428	0.5
95.04972	0.5
96.93088	0.3
97.02846	1.0
100.11201	1.0
105.06948	0.4
107.04893	0.9
107.90236	0.3
121.06480	0.7
123.04340	0.5
125.05882	0.4
127.81516	0.4
131.04842	0.4
133.06445	0.4
135.04417	0.8
136.05139	0.5
137.05940	0.7
145.02844	0.5
147.04356	1.2
148.05063	0.8
149.05927	1.1
151.07513	3.9
153.01749	1.1
159.04306	0.6
161.05980	1.5
163.03902	1.8
163.07588	0.3
164.04604	0.4
167.06992	2.3
168.07790	0.4
174.06653	0.5
175.03859	0.7
177.05414	1.5
178.06244	5.0
179.06995	3.5
183.04289	0.5
187.03900	0.4
189.05420	0.5
191.07112	0.4
194.09346	1.4
195.06477	1.2
197.05936	0.6
199.03911	0.4
201.05498	0.3
202.06244	0.5
203.03267	0.4
203.06981	0.5
205.04962	2.1
205.08566	9.3
207.06412	0.8
210.14838	0.4
213.05437	0.9
216.04146	0.9
217.04895	0.6
227.03360	0.5
227.07019	0.4
229.04945	0.8
231.02834	1.3
231.06541	0.9
232.58905	0.4
233.08014	1.1
237.05519	0.5
239.03177	0.4
241.04976	1.2
243.06383	0.5
244.03636	0.5
245.04428	2.5
246.05208	0.9
253.04922	0.7
255.02826	6.3
255.06490	0.5
257.04288	0.8
259.06042	1.4
261.07553	0.5
265.05038	0.5
268.03699	0.5
269.04324	3.1
270.01495	0.4
271.02527	0.4
281.04398	1.3
282.05292	0.5
283.02319	1.5
283.05939	1.1
284.03125	0.6
285.03833	0.5
287.05383	6.1
297.03815	1.7
299.05432	0.7
300.02701	2.1
303.06351	0.4
309.03873	1.2
311.02127	0.4
312.06256	1.3
313.07101	0.5
315.04922	35.7
316.05267	0.9
317.06708	0.4
329.06866	1.2
330.07285	17.6
331.07657	0.7
345.09631	100.0
346.09885	3.6
357.07413	0.4
358.04556	0.5
370.04590	0.7
373.07077	1.0
374.08099	0.5
383.05298	0.5
385.07059	1.6
386.03909	0.4
387.04794	0.5
388.09485	0.5
391.08142	0.7
399.08801	0.5
401.06418	1.8
405.05734	0.5
413.06577	3.8
415.04266	2.5
418.10370	0.6
419.07553	1.0
427.08295	0.6
428.09073	0.5
429.05984	4.3
430.06567	0.4
431.11398	1.2
433.04898	0.7
435.10889	0.8
436.68835	0.4
443.11569	1.8
444.08356	1.0
445.09116	5.9
446.09641	0.6
447.06839	0.7
449.12363	1.4
455.07892	0.6
457.05463	13.3
458.05957	0.8
459.10733	1.1
463.10077	3.6
472.07925	5.5
473.07858	0.6
475.06503	0.5
477.11703	1.2
487.10083	3.0
505.11200	89.2
506.11444	4.5
523.12341	1.0
641.53174	0.4
679.16602	1.9
691.33557	0.4
697.16211	4.3
697.51813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
65.03925	0.7
67.05466	0.8
69.03389	0.6
70.06551	1.0
71.66183	0.6
79.05470	0.5
83.04911	0.7
85.02866	0.7
92.18159	0.3
95.04881	0.4
97.02875	0.9
100.11205	1.2
104.00421	0.3
107.04942	0.6
111.04424	0.8
119.04901	0.4
121.02757	0.4
121.06491	0.5
123.04342	0.6
131.04875	0.4
135.04393	0.8
136.05188	0.8
137.05939	0.7
139.07526	0.8
145.02849	0.4
146.07162	0.4
147.04347	1.5
148.05139	0.4
149.05919	1.1
151.07527	4.8
153.01814	1.1
153.05473	0.5
159.04225	0.4
161.05934	1.5
162.06677	0.4
163.03957	1.7
167.06999	2.9
168.71481	0.4
169.06345	0.4
171.04442	0.5
175.03792	0.6
177.05429	1.1
178.02560	0.5
178.06223	5.8
179.03459	0.7
179.07016	3.9
181.06416	0.7
183.04401	0.4
184.89314	0.4
185.06007	0.5
186.03024	0.3
189.05495	0.7
191.07056	0.8
194.09341	1.2
195.06458	1.0
197.05913	0.8
199.03885	0.4
201.05472	0.4
202.06161	0.5
204.04161	0.4
205.04987	2.7
205.08583	9.6
206.08884	0.5
207.06540	1.2
209.06015	0.5
210.14760	0.6
211.07468	0.5
213.05339	0.6
216.04158	1.0
217.04900	0.5
219.06602	0.4
225.05490	1.0
227.03378	0.5
227.06993	0.7
228.04152	0.4
229.04892	1.5
231.02907	0.9
231.06531	0.6
233.08046	1.1
237.05418	0.6
239.03371	0.5
241.04933	1.3
243.06395	0.8
244.03702	0.4
245.04399	3.1
246.05183	1.4
253.04976	1.2
255.02863	6.0
255.06572	0.6
257.04242	0.8
259.06076	1.7
261.07520	0.5
265.04916	1.1
267.02756	0.5
268.03638	0.9
269.04398	3.0
270.01535	0.5
271.02173	0.6
281.04385	1.4
282.05228	1.1
283.02344	1.8
283.05899	1.2
284.03107	0.5
285.03833	0.6
287.05438	5.9
297.03891	1.9
299.05414	0.7
300.02621	2.1
309.03922	1.4
311.05283	0.8
312.06216	1.5
313.07022	0.7
315.04947	35.1
316.05313	1.4
329.06662	0.7
330.07315	15.3
342.09021	0.4
344.09396	0.5
345.09656	86.5
346.09958	3.5
355.05887	0.5
357.07458	0.5
358.04736	0.7
359.05392	0.5
370.04678	1.1
371.05212	0.7
373.07062	1.4
374.07996	0.5
375.08701	0.8
380.02319	0.4
383.05630	0.9
385.06790	2.2
386.03998	0.5
387.04590	0.6
391.08102	0.5
401.06439	1.9
402.07123	0.5
403.08011	0.8
405.06030	0.9
413.06519	5.4
415.04016	2.9
416.09232	0.7
419.07574	0.9
427.08307	0.6
428.09155	0.7
429.05908	5.1
429.15109	0.4
430.06793	1.2
431.06714	0.5
431.11673	0.9
435.10583	1.1
443.11630	2.2
444.08475	0.5
445.09146	5.9
446.09567	0.6
449.12259	1.6
455.07697	0.8
457.05508	12.7
458.05814	1.0
459.10593	1.3
461.12411	0.7
462.09439	0.4
463.10229	4.2
472.07852	7.6
473.08850	0.8
475.06870	0.6
477.11746	0.7
487.10150	2.8
490.08914	0.5
505.11230	100.0
506.11560	6.7
523.12378	1.7
565.16058	0.5
566.23993	0.4
593.23395	0.5
679.16925	2.3
688.79968	0.5
697.16418	5.2
697.51794	0.9
698.16931	0.4
718.10583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1715
Annotation	Terrestrin G
Peak:m/z	Relative Intensity
51.71768	0.2
55.05468	0.8
55.05715	0.2
57.03409	0.3
67.05496	1.7
69.03413	0.2
69.07019	0.8
69.72053	1.5
70.06535	0.3
71.04990	1.1
73.02899	0.2
79.05499	1.2
81.03400	1.3
81.07037	1.8
83.04930	0.3
83.08571	0.8
85.02892	2.0
85.06525	0.3
91.05456	1.5
93.07024	1.5
95.04906	0.9
95.08595	2.0
97.02866	0.3
97.06496	0.2
98.20746	0.4
101.02322	0.6
105.07018	1.8
107.04939	0.3
107.08596	1.3
109.06486	0.3
109.10116	1.3
116.06042	0.2
117.06970	0.3
119.08525	0.9
121.06503	0.4
121.10132	1.3
123.08038	0.4
123.11636	0.4
127.03903	0.5
127.45667	0.2
129.05460	0.5
129.06924	0.2
131.08522	0.7
133.06436	0.4
133.10065	0.8
135.11633	0.4
145.04935	1.1
145.10086	0.7
147.08029	0.2
147.11630	0.6
149.09546	0.3
149.13196	0.3
151.07455	0.4
157.10083	0.6
159.07904	0.2
159.11652	0.4
161.02310	0.2
161.09627	0.2
161.13182	0.4
163.03860	0.4
167.06990	0.3
175.11087	0.3
175.14809	0.4
177.05467	0.4
177.16342	0.2
177.49312	0.3
178.06198	0.6
189.16339	0.4
193.12175	0.3
199.07732	0.2
201.16252	0.3
203.17865	0.2
213.05426	0.2
217.19453	0.7
229.14107	0.3
231.02757	0.3
245.04478	0.4
267.15930	0.6
271.06302	0.2
273.97229	0.3
281.02368	0.3
284.06555	0.2
302.03964	0.3
313.05121	0.6
334.06430	0.4
341.04565	1.6
355.06369	0.3
356.06595	0.3
362.05923	5.6
371.09286	0.7
376.07635	0.6
377.08157	1.5
391.10962	0.3
392.10587	9.5
393.10657	0.3
407.36667	1.9
417.07788	0.3
420.10150	0.4
432.06537	0.4
445.07327	0.6
446.04364	0.6
447.04822	0.3
453.20822	0.3
474.03964	1.0
475.11826	0.5
476.09027	1.7
482.08264	0.3
487.19559	0.3
492.05057	0.3
494.08401	0.3
500.05548	0.4
504.08365	1.3
505.09558	0.3
510.07584	0.8
511.08389	0.3
522.08740	0.7
525.09448	0.5
535.08240	0.8
538.06989	1.4
539.08160	0.3
549.06030	0.5
550.07153	0.8
553.09491	1.5
554.09900	0.3
563.07892	1.0
565.09369	0.3
566.06604	1.7
567.07062	0.3
567.31415	0.5
580.11310	0.3
581.08765	2.9
583.13818	0.3
591.07330	0.6
593.11493	0.3
594.06213	0.7
595.10962	0.7
596.11249	0.2
597.12512	0.4
606.06311	0.3
607.07013	0.5
609.08215	3.6
611.13647	2.2
621.11432	0.2
623.09833	0.8
624.10834	0.6
625.31824	1.8
635.10120	0.4
636.09015	0.2
637.07745	10.6
638.08057	0.8
639.12927	4.7
640.13275	0.3
641.18182	0.8
651.09296	1.5
652.09918	1.7
653.14478	0.7
665.14050	0.4
666.13397	0.6
667.12494	35.2
668.12805	2.8
679.21216	0.4
679.31451	0.3
681.13696	2.2
682.14240	1.7
697.17157	100.0
698.17432	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	696.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01841	1.4
55.05503	15.7
57.03431	6.4
57.07064	10.0
60.44400	0.8
61.02619	1.2
61.02917	18.2
65.03925	1.5
67.05493	66.5
69.03409	3.0
69.06693	1.7
69.07054	23.4
71.04974	2.3
71.08618	4.5
71.60574	1.2
73.02905	7.4
79.05481	17.5
81.03400	1.9
81.07043	83.8
83.04962	1.9
83.08607	20.8
85.02395	1.7
85.02893	29.3
85.06525	1.9
85.10162	3.7
91.03371	1.2
91.03945	24.0
91.05460	13.5
93.07034	23.6
95.04955	2.0
95.08593	69.6
97.02871	12.1
97.06516	7.1
97.10155	12.8
99.04426	2.8
99.08064	4.1
103.03935	1.3
105.07015	11.9
107.08586	15.1
109.06483	1.6
109.10136	32.4
111.08067	3.9
111.11682	3.5
113.09631	2.4
115.03926	2.8
115.07543	1.0
117.06966	1.2
119.08566	12.5
121.10127	24.1
123.08040	2.5
123.11687	21.5
125.09613	1.8
125.13232	1.1
127.03903	10.5
127.11186	2.0
131.08557	1.7
133.10121	16.2
135.11671	9.8
137.09601	1.5
137.13228	8.9
139.11150	1.4
141.12712	3.7
145.04944	10.7
145.10133	1.0
147.11655	11.2
149.13258	10.0
151.14796	6.2
153.12677	0.9
155.14268	3.5
159.11629	1.2
161.13225	12.8
163.06004	16.4
163.14795	9.7
165.12701	1.3
165.16365	9.4
167.14265	2.0
175.14815	9.9
177.16360	2.8
179.14349	1.4
179.17926	8.1
181.15822	1.6
189.16379	4.7
193.15764	1.7
203.17941	1.8
217.19438	2.0
245.22617	68.1
246.22946	2.0
257.58856	0.9
263.23660	100.0
264.24023	2.2
265.25174	2.5
279.04257	0.8
281.24707	2.4
298.73694	0.9
337.27313	69.8
338.27597	2.2
355.28369	15.4
416.34763	0.9
479.85980	0.9
481.31586	0.9
499.32431	4.8
582.88550	1.0
696.35999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19124	1.1
55.01850	1.4
55.05501	12.8
56.73256	1.0
57.03416	5.5
57.07067	10.9
61.02919	24.6
65.03930	1.7
66.57355	1.4
67.05493	58.8
69.03413	4.6
69.07054	21.5
71.04973	2.3
71.08611	5.7
71.21236	1.6
71.21568	2.4
73.02903	9.2
79.05485	15.7
79.11236	1.2
81.07044	79.5
83.08611	16.3
85.02403	1.5
85.02894	28.6
85.06527	3.5
85.10195	1.6
91.03937	27.0
91.05460	14.3
93.07030	20.2
95.08592	65.7
97.02884	14.2
97.06504	5.5
97.10151	11.9
99.08060	4.3
105.07028	8.8
107.08570	15.6
109.02857	1.5
109.06480	2.6
109.09412	2.1
109.10140	33.8
111.08058	3.4
111.11698	2.5
113.09579	2.2
114.53838	1.3
115.03862	1.5
119.08562	13.2
121.10123	24.1
123.11691	19.3
125.09570	2.7
125.13226	1.5
127.03926	7.8
127.11149	2.3
133.10106	16.2
135.11661	12.4
137.13225	4.0
139.11121	1.4
141.12689	3.4
145.04938	12.7
147.11642	10.4
149.13240	11.3
151.14769	8.4
155.14240	3.2
161.13205	11.4
163.05989	21.4
163.14792	10.6
165.12686	2.2
165.16393	9.8
167.14252	1.6
175.14787	12.2
177.16304	1.5
179.14209	1.9
179.17932	8.5
181.15947	2.0
189.16344	5.2
194.40742	1.2
203.18016	1.7
217.19391	2.5
218.52180	1.5
245.22618	73.4
246.22925	2.3
248.15678	1.5
263.23657	100.0
264.23990	2.9
265.25214	3.3
281.24521	2.2
315.04837	1.8
337.27304	46.0
348.17126	1.4
355.28409	8.5
499.32474	2.2
554.78180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.36581	0.5
55.01869	0.9
55.05501	12.5
57.03430	6.7
57.07065	4.5
61.02918	26.3
65.03928	1.7
67.05495	69.0
69.03417	4.1
69.07058	13.2
70.23416	2.6
71.04977	2.8
71.08630	1.4
73.02908	10.5
75.04468	1.8
77.03907	0.9
78.04721	0.5
79.05482	38.3
81.03397	1.8
81.07045	80.1
82.07404	1.3
83.04971	1.7
83.08609	7.9
85.02894	27.7
85.06531	2.2
86.03184	0.4
91.03942	24.9
91.05466	18.7
93.07031	50.8
93.28314	0.4
94.07390	0.9
95.04948	2.4
95.08591	63.0
96.08952	0.7
97.02878	13.3
97.06499	3.9
97.10153	5.3
99.04449	1.4
99.08086	2.5
103.03962	0.7
105.04530	0.7
105.07012	16.4
106.29621	0.5
107.08578	35.8
109.02860	1.5
109.06486	1.1
109.10143	34.2
111.08070	2.2
111.11677	0.7
113.09636	1.2
115.03935	1.1
115.05447	0.6
117.07011	7.4
119.08560	15.3
121.10129	33.5
123.08062	1.6
123.11686	19.2
125.09624	1.3
127.03893	9.0
127.11201	0.7
129.06976	0.7
129.19534	0.8
131.08551	19.6
133.10104	13.4
135.11674	29.5
136.12064	0.7
137.09595	2.0
137.13242	8.3
138.72530	0.6
139.11165	2.1
143.08542	0.6
145.04935	12.3
145.10091	15.3
147.11664	12.0
149.09656	0.7
149.13234	19.8
150.13510	0.6
151.11140	2.1
151.14793	2.5
153.12714	1.5
159.10365	1.0
159.11682	13.4
161.13239	11.3
163.05998	17.7
163.14806	14.8
165.12735	2.9
167.14177	0.7
173.11876	0.8
173.13232	13.7
175.14795	3.5
177.12714	1.6
177.16342	5.9
179.14256	2.9
187.14810	10.7
187.16379	0.5
189.16368	0.9
191.14252	1.9
195.13835	0.6
201.16394	3.8
205.15903	2.6
215.17906	1.7
219.17456	0.5
220.98343	0.7
233.22673	3.0
243.15843	0.7
243.21045	36.2
261.22107	100.0
262.22394	3.9
263.23645	2.1
279.23108	5.2
317.24637	1.5
335.25745	33.1
336.26025	0.8
353.26813	51.8
354.27124	1.9
479.29684	0.8
497.30942	6.5
694.18127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01856	0.4
61.02906	0.6
63.02361	0.5
67.05489	0.6
68.99780	1.3
69.03431	1.3
69.07014	0.2
69.72876	1.4
71.01337	0.6
73.02868	0.2
78.04720	0.4
79.01897	0.3
79.05480	0.6
81.03396	1.8
81.07049	0.6
83.08643	0.3
85.02888	0.4
87.00815	0.8
89.03905	5.5
91.05459	0.9
93.07034	0.4
95.04955	0.6
95.08611	0.3
95.10396	0.2
97.02877	0.6
98.20751	0.2
103.05458	0.5
105.03368	3.8
105.07013	0.6
106.04198	0.2
106.37979	0.2
107.04986	0.3
107.08589	0.4
108.09045	0.2
109.02869	5.1
109.10107	0.3
112.03921	0.2
115.05413	0.3
117.03362	21.7
117.06975	0.4
118.03651	0.6
119.04938	0.3
121.06486	0.2
121.10104	0.2
123.04412	0.3
124.05171	0.4
125.09637	0.2
127.03879	0.7
128.06226	0.4
129.01825	1.8
129.06984	0.9
131.04912	0.9
131.08546	0.3
134.03644	1.3
135.04384	1.6
137.05927	1.2
141.06970	0.8
143.08543	0.7
144.05669	0.5
145.02824	63.1
146.03166	0.9
147.02872	1.1
147.04344	0.4
149.05960	8.4
151.03886	7.6
153.06976	0.2
155.04918	0.9
156.05710	0.5
157.06468	1.3
158.06042	0.6
159.04376	0.6
159.07927	0.2
161.05972	0.7
163.03885	0.8
163.07538	0.4
167.05008	0.3
168.05653	0.3
169.06441	0.9
171.08023	0.9
172.05180	1.0
173.05963	0.5
174.06761	0.7
175.07521	0.9
177.05443	100.0
178.05745	2.1
179.03378	0.3
181.06464	0.6
183.04433	0.5
184.05188	0.5
185.05978	0.4
186.05476	2.7
187.07515	2.0
189.05473	1.2
191.07036	0.7
195.06435	0.3
197.05963	0.8
198.06609	0.3
199.07520	2.0
200.04620	0.7
201.05443	1.9
201.09123	0.3
203.07001	0.3
205.04909	0.3
205.08647	0.4
207.06444	0.2
211.03844	0.4
213.03828	0.4
214.06186	0.4
215.07005	5.9
217.05074	0.4
217.08557	2.1
219.06392	0.3
225.05487	0.6
226.06152	0.2
228.04123	0.6
229.08513	1.2
231.06479	1.2
233.08080	3.7
241.08592	0.7
242.05733	0.5
243.06517	3.5
245.08015	0.5
257.08057	3.0
261.07550	35.1
262.07852	1.1
271.09622	4.3
285.07541	6.3
291.08829	0.4
303.08575	7.9
304.08923	0.3
321.09613	0.4
371.07919	0.2
389.08578	0.9
407.09637	5.3
425.10724	10.8
426.11041	0.4
433.37277	0.2
695.17902	0.7
695.36414	1.3
696.17285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60488	0.7
55.01855	1.0
55.05499	1.7
57.03394	1.2
57.07055	2.8
65.03907	1.8
66.23371	0.8
67.05495	11.3
68.99770	1.3
69.03416	2.7
69.07052	1.8
70.06585	0.7
71.04948	1.0
71.63656	1.4
72.08142	0.8
79.05476	2.5
80.69218	0.8
81.03407	1.4
81.07039	2.7
83.04957	1.2
84.08121	0.9
85.02887	2.9
85.06530	3.4
86.03230	0.8
87.04507	0.9
91.05476	3.2
91.19158	0.8
92.58419	0.7
93.03371	0.7
93.07040	1.4
94.06528	1.0
95.04966	5.1
95.08591	1.4
97.02867	3.6
97.06513	3.0
99.08105	1.2
105.07006	2.1
107.04956	3.8
107.08620	1.3
109.02737	0.8
109.06512	1.4
110.03673	0.7
111.04444	1.1
113.06007	1.1
115.03888	1.0
117.03368	0.7
119.04940	2.4
121.06467	1.2
121.10129	1.1
125.05959	2.1
127.03910	2.4
131.04887	1.3
133.04936	0.7
133.06476	1.6
133.10196	1.0
135.04428	1.3
136.05156	1.6
137.02370	1.0
137.05983	2.5
139.03935	1.0
139.07530	1.4
145.02832	1.9
145.10118	0.8
147.04359	6.5
149.05928	3.9
150.06612	1.1
150.43312	0.7
151.03986	1.2
151.07530	5.9
153.01814	1.2
153.05460	2.4
157.06445	0.8
161.05980	2.1
162.06729	1.1
163.03883	4.1
164.07034	1.3
165.01784	0.8
165.05492	1.3
165.06915	1.0
165.09048	1.1
166.06218	1.0
167.03375	1.1
167.07031	6.2
167.08263	1.1
168.07811	1.5
169.06451	1.0
173.05959	1.2
175.03993	0.9
175.07584	0.8
176.04694	1.3
177.05423	7.7
178.06247	9.8
179.03381	1.3
179.07103	3.6
181.04965	1.9
181.06459	1.4
181.08575	3.9
185.05942	1.7
187.04002	0.7
189.05455	0.9
191.03442	1.5
191.07019	9.8
192.07610	1.1
193.04979	1.8
193.08571	1.3
194.09418	3.2
195.06483	3.6
195.08012	1.5
197.05998	1.4
199.07530	1.2
201.05473	1.0
203.03346	1.0
203.07037	0.8
205.04926	8.9
209.05994	1.7
211.07603	1.1
213.05440	3.2
213.09151	1.1
215.06894	1.0
219.06447	1.4
221.06000	1.3
223.07553	1.0
225.05382	0.9
227.03503	1.3
227.07013	1.3
227.58755	0.8
229.04932	1.2
235.07553	1.2
237.05321	1.4
239.06920	1.1
240.07813	1.1
241.04939	1.4
241.08842	0.8
243.06577	0.9
250.06093	0.8
251.03322	1.3
253.04854	1.3
255.02827	1.5
255.06480	1.3
257.08136	0.9
261.09225	1.0
262.06342	1.1
263.06888	1.4
265.04910	2.2
265.08502	1.1
267.03299	1.0
267.06467	1.9
269.04245	1.8
277.08481	1.1
279.03003	1.1
279.06485	0.9
281.04480	1.6
282.05130	1.3
283.06042	1.1
284.06561	1.0
287.07077	1.1
289.08350	1.0
291.06961	0.8
291.10284	1.4
293.04385	1.6
293.07996	1.1
295.06256	1.6
297.03870	2.4
298.04556	1.6
299.05420	1.0
301.03595	1.5
301.06686	4.3
303.06384	1.6
305.08176	1.1
306.05200	1.2
307.05862	1.1
309.03867	1.2
311.05566	1.6
312.06247	7.7
313.03622	1.4
313.07083	4.1
315.05035	3.5
317.08078	1.6
319.05994	1.4
319.09763	1.1
321.04089	1.0
325.03564	1.3
325.11038	0.9
327.05157	1.2
329.07004	1.2
330.07321	2.3
331.06097	0.8
332.06558	1.2
333.07773	1.4
337.10794	1.2
341.07959	1.4
344.08954	4.2
345.09796	6.8
347.09253	1.0
357.10016	1.2
385.06937	1.2
387.08633	1.2
397.11124	1.3
399.10693	7.5
401.10312	1.2
403.08243	1.0
409.06512	1.2
409.11319	1.2
410.07294	1.1
412.09702	1.3
413.10590	1.2
415.07874	1.2
419.09360	1.0
423.08557	1.7
425.05948	1.0
427.26816	2.7
431.07672	1.0
440.08838	1.5
441.05597	1.7
442.05750	1.0
443.07602	1.5
446.09662	0.9
451.08148	1.0
455.07660	3.4
456.07852	1.2
457.08679	1.2
459.06589	1.2
461.11639	1.8
463.11276	2.0
465.09662	1.5
467.11081	1.7
469.09464	3.0
471.07129	2.9
483.10687	4.2
484.11575	1.2
485.12683	1.5
489.11554	2.6
491.12057	0.9
493.09396	2.7
495.10623	1.5
497.15683	1.4
498.13232	1.5
499.10013	2.7
499.14960	1.9
500.14508	1.2
501.11673	1.4
503.13281	1.5
505.14395	1.4
507.12979	1.5
509.12759	2.9
510.13071	1.1
511.09940	1.8
513.15729	5.1
515.16931	2.5
517.10443	10.4
519.12756	9.7
523.14142	2.0
525.15778	1.4
527.13104	1.5
528.14130	1.2
529.15387	1.8
531.16882	6.8
535.11646	1.6
537.11804	2.4
539.17841	0.9
541.14941	5.4
543.16132	3.1
545.10175	5.9
549.17059	1.4
557.13989	2.1
559.15955	12.8
560.16687	1.2
561.17523	4.8
563.11792	34.7
564.12213	1.8
567.16516	3.6
569.14520	1.3
571.15729	1.1
575.18201	1.1
583.13495	0.9
585.17566	11.8
587.15240	3.9
601.16650	2.6
603.08862	1.5
603.18536	28.8
604.19312	1.1
611.15216	3.5
613.16925	2.2
615.15546	1.1
621.19556	2.1
629.16455	46.2
630.16815	2.3
631.18079	1.5
633.16083	3.7
639.14722	1.1
647.17792	9.1
657.15729	6.3
665.18738	2.1
675.17023	29.8
676.17035	1.9
693.17944	100.0
694.17773	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	693.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64803	0.2
53.03944	0.3
55.01857	0.6
55.05508	0.4
57.03436	0.2
60.87992	0.2
61.02905	0.9
63.02377	0.5
66.46632	0.2
67.05496	1.2
67.41421	0.2
68.99780	1.3
69.03423	1.7
69.07056	0.3
70.71164	0.2
70.71509	0.6
71.01334	0.9
71.04986	0.3
74.92869	0.2
77.03948	0.2
78.04699	0.3
79.05486	1.0
80.18172	0.2
81.03407	2.2
81.07043	1.1
83.04961	0.4
83.08591	0.4
85.02883	0.8
87.00805	0.6
88.27116	0.2
89.03902	7.5
89.04455	0.4
91.05479	1.5
93.07035	0.8
95.04952	0.8
95.08596	0.8
97.02872	0.6
97.06530	0.4
99.04433	0.2
103.05468	0.9
104.76898	0.2
105.01900	0.2
105.03378	0.4
105.06995	0.5
106.04187	0.3
107.04945	0.7
107.08579	0.3
109.02863	5.8
109.06499	0.2
109.10148	0.5
115.05444	0.4
117.03363	23.7
117.06985	0.4
118.04225	1.0
119.04938	0.5
119.08575	0.4
121.06461	0.2
121.10110	0.2
123.04456	0.5
124.05164	0.3
127.03909	1.0
128.06183	0.8
129.01820	1.6
129.07019	0.9
130.11414	0.2
130.14972	0.2
131.04897	1.3
131.08539	0.4
133.06467	0.3
133.10104	0.3
134.03638	1.7
135.04420	1.6
137.02324	0.5
137.05959	1.0
137.09590	0.5
141.06964	0.8
143.04910	0.5
143.08537	0.8
144.05681	0.8
145.02824	63.3
146.03120	1.1
147.02850	1.0
147.04376	0.7
147.11649	0.5
149.05957	8.6
149.09566	0.2
151.03865	0.6
152.06244	0.3
153.07016	0.5
154.02583	0.6
155.04886	1.1
156.05684	0.5
157.06459	1.8
157.10104	0.3
158.06035	0.3
159.04420	0.5
159.08086	0.3
160.05113	0.3
161.05966	0.9
163.03894	0.9
163.07515	0.6
163.11157	0.2
165.09094	3.6
165.12785	0.3
166.09453	0.3
167.04906	0.3
167.07022	0.3
168.05681	0.4
169.06540	1.1
170.07309	0.3
171.04353	0.4
171.08060	1.0
172.05150	0.7
173.05917	1.0
174.06778	0.9
175.03966	0.3
175.07574	1.0
176.04666	0.3
177.05443	100.0
178.05766	1.5
179.03401	0.6
181.06450	0.9
183.04408	1.0
184.05142	0.5
185.05943	0.9
186.05446	2.4
187.07515	2.5
189.05484	1.0
189.09074	0.6
191.07010	0.6
193.12196	0.5
195.06493	0.3
197.05920	1.7
198.06766	0.4
199.07516	2.1
200.04681	0.8
201.05368	2.1
201.09111	0.3
202.06181	0.3
203.07043	0.4
205.04979	0.3
205.08640	0.2
209.06035	0.4
211.03860	0.6
211.07574	0.4
211.13229	0.5
213.03920	0.5
213.09076	2.5
214.06236	0.4
215.06978	6.5
217.05032	0.5
217.08568	2.5
219.06519	0.5
225.05399	0.6
226.06261	1.1
228.04152	0.7
229.05000	0.5
229.08568	0.9
231.06535	1.4
233.08061	4.1
237.05434	1.8
241.08559	1.0
242.05783	0.5
243.06509	4.7
245.08028	0.6
253.04884	1.7
254.05698	1.9
257.08078	2.8
261.07553	30.7
262.07825	0.5
267.15997	0.6
269.08057	30.5
270.05426	0.2
270.08408	0.9
285.07523	6.2
285.10571	0.4
285.16888	0.4
301.07016	0.2
303.08597	7.1
315.05338	0.3
321.09744	0.4
345.09634	0.7
389.08377	0.5
405.26398	0.2
407.09717	3.0
425.10736	5.1
433.05557	0.6
459.06424	0.3
459.27151	0.3
463.10025	1.5
477.28146	0.3
478.28781	0.2
489.12131	0.2
495.29514	0.6
496.29559	0.3
579.10858	0.3
673.14160	0.2
675.16608	0.4
693.18011	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	692.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01868	3.6
55.05503	21.8
56.05838	0.8
57.03430	12.7
57.07055	2.4
59.04991	1.6
61.02914	5.8
65.03941	3.0
67.05494	89.3
68.05840	1.6
69.03419	3.1
69.07054	18.5
69.50395	0.9
70.69009	2.6
71.04981	17.5
71.05334	0.7
71.08607	1.0
73.02911	3.4
76.55070	0.9
77.03930	0.8
79.05028	1.9
79.05481	32.9
79.05939	2.0
81.03413	6.8
81.07044	100.0
82.07372	1.4
83.04965	8.2
83.08611	16.8
83.42251	0.8
85.02892	8.2
85.06529	9.0
87.04454	2.2
91.03988	1.1
91.05466	28.2
93.07029	49.0
95.04944	8.1
95.08595	21.9
95.09205	1.6
97.02877	2.6
97.06523	13.7
97.10161	7.9
97.26733	0.8
99.08079	3.1
103.03902	1.2
105.07018	12.6
107.04944	1.5
107.08572	31.1
109.06507	3.0
109.10136	24.3
111.08065	6.6
117.06985	9.2
119.08582	4.8
121.06522	2.2
121.10127	16.8
123.08064	1.1
123.11701	11.6
125.09624	5.5
127.03892	1.3
129.05484	1.3
129.06964	1.5
131.08534	7.6
133.10110	17.5
135.08041	1.4
135.11678	8.4
137.05901	1.2
137.09633	1.4
139.11177	1.3
143.08516	1.1
143.10626	1.3
145.10129	2.1
146.10574	0.8
147.11674	4.7
149.09607	1.6
149.13234	22.8
151.11156	5.6
159.11655	12.9
163.11171	3.4
165.12744	1.0
173.11731	5.7
177.12729	6.0
183.13788	2.3
187.13249	2.9
187.14906	1.1
189.11134	1.0
191.10612	1.4
193.12181	1.4
195.13763	10.1
199.13310	2.9
209.11717	1.6
211.13190	1.3
213.14839	1.8
225.14984	1.3
227.12825	2.3
229.14314	18.0
257.17383	1.5
267.15887	2.4
269.17435	37.4
283.15430	1.2
297.16949	1.2
301.16412	4.9
301.20084	6.8
345.09772	1.2
411.27426	1.9
423.27283	14.2
424.28601	1.1
437.28906	39.0
438.29456	1.8
451.30399	6.8
452.30823	1.9
463.10086	3.7
463.30496	89.2
464.30759	4.4
477.28464	1.4
477.51318	1.2
495.33923	22.8
513.30438	5.3
693.17761	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00052	0.7
53.03925	3.0
55.01869	7.2
55.05505	34.2
57.03423	20.0
57.07060	2.4
59.04987	3.9
61.02920	8.6
63.44734	0.6
65.03931	2.8
67.05495	100.0
68.05811	0.8
69.03424	5.0
69.07057	19.3
71.01340	1.7
71.04980	6.3
71.63866	0.8
73.02901	5.2
79.05483	45.3
81.03408	14.5
81.07044	78.4
82.07417	0.7
83.01317	1.0
83.04974	10.4
83.08611	23.4
85.02893	18.5
85.03399	1.1
85.06528	5.5
87.04465	6.1
90.86001	0.6
91.03925	3.3
91.05466	29.6
93.07031	43.2
94.07350	0.8
95.04957	9.4
95.08596	22.9
97.02876	7.7
97.03469	0.7
97.06518	12.0
97.10159	17.7
99.04458	1.9
99.08100	2.2
103.03947	1.6
105.07015	13.4
107.04957	5.0
107.08579	31.2
109.02869	1.3
109.06483	3.3
109.10139	53.9
110.10476	1.4
111.04453	2.0
111.08058	7.3
112.45082	0.6
113.06014	0.9
116.04703	1.0
117.07014	8.8
117.07788	0.7
119.08563	10.3
119.09417	0.8
121.06474	3.5
121.10133	12.6
121.47059	0.7
123.04407	0.6
123.08047	3.3
123.11665	3.7
125.09617	17.2
125.10503	1.2
127.03931	2.4
129.05481	5.3
129.07021	2.2
131.08543	9.7
133.10107	13.1
135.08084	2.2
135.11671	12.2
137.06018	0.7
137.09583	3.4
143.07040	1.0
143.08545	1.0
143.10709	2.8
145.04892	0.8
145.10085	5.2
147.08086	1.1
147.11674	4.6
149.09616	1.9
149.13248	14.2
151.11160	1.9
153.12735	2.4
155.08510	0.7
155.10643	3.8
157.08580	1.0
157.10159	2.2
157.53497	0.7
159.10277	0.8
159.11670	7.2
163.11163	9.8
165.09071	3.8
165.12782	2.9
167.14328	0.9
171.10216	1.0
173.09618	1.5
173.11707	17.6
175.11235	2.2
177.12762	5.4
179.14299	0.9
181.12195	3.6
185.11711	1.0
189.11250	1.1
191.10663	3.3
193.12190	4.8
195.13782	16.6
199.13277	8.8
199.14917	1.0
209.11693	7.7
210.12039	0.6
211.13275	5.0
213.14873	2.7
227.12769	9.5
229.14322	54.9
230.14629	1.1
234.90019	0.7
239.16354	3.0
257.13934	2.3
261.14832	0.6
265.14346	1.0
267.15854	10.3
269.17444	58.0
270.18011	1.2
283.15408	6.9
285.17157	0.8
295.19043	0.7
297.17029	1.5
301.16400	18.9
302.16989	0.9
313.16599	1.1
323.18591	1.3
332.22842	0.6
353.19690	0.8
357.24319	1.6
389.18802	0.8
393.26526	2.7
411.27405	5.3
423.27368	34.3
424.27985	1.8
431.28134	0.9
463.10574	2.0
477.28629	2.3
495.29471	55.5
496.29846	4.0
513.30554	24.2
513.38263	1.4
514.31006	1.1
693.18182	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70498	0.7
53.03924	2.0
55.05500	20.4
57.03162	1.0
57.03425	15.9
59.04971	1.3
61.02914	4.1
65.03917	1.7
67.05490	30.3
69.03420	6.3
69.07052	9.2
71.01306	0.8
71.04974	6.7
73.02909	2.3
79.05478	31.3
81.03403	87.8
81.07040	36.6
82.03741	0.7
83.04964	21.5
83.08608	26.5
85.02888	37.0
85.06505	1.9
87.26150	0.7
90.55219	0.7
91.03916	2.6
91.05462	45.3
93.07029	22.2
95.04950	37.5
95.08588	14.8
95.80320	0.7
97.02861	8.8
97.06521	7.7
97.10132	5.5
99.04453	0.8
99.08069	1.9
103.05412	1.0
105.07008	30.5
106.07297	0.9
107.04935	9.3
107.08574	8.9
109.02898	0.8
109.06498	7.1
109.10130	4.5
110.48376	1.0
111.04417	3.0
111.08061	11.8
113.05983	4.4
115.05413	2.5
117.03364	0.9
117.06996	2.4
119.04904	1.0
119.08558	27.2
121.06448	2.8
121.10114	12.7
123.08031	4.1
123.11698	2.6
125.05959	1.3
125.09619	1.9
127.07551	1.0
128.06171	0.9
129.05486	0.8
129.06979	15.4
131.08543	17.1
133.06465	5.3
133.10104	15.2
135.08040	1.1
135.11632	1.3
137.05951	1.0
137.09586	2.7
137.13248	0.8
142.07739	3.7
145.02809	1.1
145.06372	1.1
145.10098	2.6
147.04399	1.4
147.07990	5.3
147.11655	21.1
148.11926	0.8
149.05981	0.8
149.09583	9.1
151.07529	1.1
151.11177	1.1
155.08514	0.9
157.10103	19.7
158.10539	0.7
163.11189	1.5
165.09137	1.4
165.12698	4.6
167.06979	0.8
171.07999	0.7
171.11584	0.9
175.11157	21.4
177.05444	2.6
178.06149	1.3
191.07001	1.2
193.12204	65.6
194.12529	1.4
209.15401	1.0
211.13251	100.0
212.13548	1.9
229.14157	0.8
249.14793	1.4
267.15863	40.4
285.16904	85.0
286.17227	1.6
315.04910	1.9
330.07535	0.9
344.08936	0.8
345.09674	3.6
367.22617	3.0
385.23462	4.3
403.24673	1.8
433.25989	1.2
441.25903	1.5
453.90427	0.7
459.27377	22.8
463.10028	1.9
477.28372	25.5
478.28226	1.0
495.29449	68.5
496.29568	2.7
504.09891	1.0
578.10010	1.5
579.11194	1.6
657.15613	0.9
675.16821	6.4
692.18414	2.2
693.17987	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01867	3.9
55.05502	15.5
57.03426	12.1
61.02917	2.4
65.03941	1.6
67.05496	22.4
69.03431	6.6
69.07055	8.3
71.04977	4.5
79.05482	27.5
81.03408	82.2
81.07050	30.1
83.04973	20.1
83.08612	28.0
83.09097	2.2
85.02895	28.4
85.06544	2.7
91.03933	1.1
91.05473	31.8
93.07039	20.4
95.04957	32.5
95.08604	10.7
97.02892	8.7
97.06522	10.1
97.10151	5.0
98.20677	2.6
99.08089	1.5
105.07023	25.6
107.04939	8.7
107.08566	8.3
109.02895	1.6
109.06499	7.6
109.10146	3.2
111.04435	4.8
111.08055	11.0
113.05980	2.2
115.05437	2.5
117.03363	1.8
117.07025	1.5
118.09477	1.1
119.04916	2.5
119.08562	24.6
121.06493	5.5
121.10149	10.5
123.04436	1.8
123.08039	4.1
123.11646	2.9
125.05956	1.4
125.09642	2.6
127.03880	1.8
129.06987	12.8
131.08557	14.2
133.06477	5.2
133.10120	11.6
135.04433	1.3
135.08026	1.2
137.06017	1.8
137.09605	1.7
139.07541	1.9
142.07776	3.5
145.02840	4.4
145.10046	1.8
147.04379	4.6
147.08051	4.4
147.11667	18.5
149.09555	7.7
151.07532	4.2
151.11252	1.3
153.05508	2.7
155.08551	1.2
157.10091	17.9
159.11656	1.3
161.05956	1.4
163.03899	3.8
163.11111	1.4
165.09082	1.4
165.12733	4.4
167.07013	4.2
168.07820	1.7
175.11153	18.8
177.05446	10.3
178.06238	6.5
179.07014	3.7
181.08601	6.1
184.07397	1.3
191.07014	6.8
191.08470	1.3
193.08589	5.5
193.12213	54.8
194.09389	2.3
195.06502	10.7
195.10141	1.6
197.06125	1.4
199.07581	1.4
201.05418	1.5
205.04988	2.1
210.08846	23.1
211.13277	82.0
212.13698	2.2
213.05484	3.5
215.03336	2.3
219.06427	1.4
221.04454	1.5
236.06900	1.4
239.03331	1.2
240.04059	1.4
241.05070	2.4
245.00664	1.9
246.01588	3.7
253.04959	2.1
255.02806	1.7
261.07654	2.2
267.02899	1.1
267.15891	42.7
268.03754	2.1
269.08176	2.4
271.05975	1.3
272.03122	1.4
273.00278	13.6
274.01028	4.8
281.04523	1.7
285.04425	1.4
285.16934	70.6
286.17218	3.0
292.02130	4.5
295.02374	1.9
296.03418	1.6
297.03876	5.3
309.03912	1.5
315.05054	2.2
316.05383	1.4
323.01462	1.3
325.03592	2.2
339.01407	1.4
342.03607	1.6
344.09100	1.5
345.09644	4.6
346.09915	2.1
367.22446	2.0
385.23721	4.0
403.24564	1.9
417.06320	1.7
419.03564	1.9
426.08557	1.6
433.05609	3.9
435.06940	2.5
441.26062	2.2
459.27362	31.3
460.27408	1.3
463.10083	7.9
466.09134	5.8
467.09702	17.5
473.08691	1.6
477.28448	33.4
478.28998	1.5
487.10336	1.3
489.11761	4.0
495.29504	100.0
496.29688	5.6
529.07373	1.3
533.11279	1.7
577.09888	6.1
578.10315	2.4
579.10797	7.8
595.11188	11.5
596.11487	37.6
597.12244	6.5
657.15948	6.0
675.17004	29.9
692.18011	5.4
692.33307	1.7
693.18005	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05503	11.6
57.03431	9.6
57.07071	1.1
59.04996	1.4
61.02909	3.5
65.03933	1.4
67.05138	1.8
67.05493	31.6
69.03424	2.4
69.07058	16.5
69.40292	9.8
71.04972	4.2
73.02912	0.9
79.05479	19.6
81.03406	5.2
81.07043	86.2
83.04978	9.2
83.08604	10.7
85.02901	4.4
85.06525	7.0
85.06949	1.1
91.05463	27.3
93.07036	17.2
95.04963	3.5
95.08595	23.0
97.02866	4.0
97.06511	8.3
97.10149	2.0
98.20717	1.4
99.04430	1.0
99.08089	4.8
101.06038	1.1
105.07013	35.1
107.04941	3.1
107.08571	15.8
109.06503	6.7
109.10144	3.7
111.08062	2.4
113.06026	1.7
115.05421	0.9
117.07007	2.6
119.08573	28.0
121.10119	23.2
123.08053	4.7
123.11687	34.2
125.09616	2.6
127.07544	4.0
129.06982	1.8
131.08537	3.1
133.10121	4.1
135.11658	3.1
137.09598	1.2
137.13222	2.0
141.09084	2.2
145.10078	2.4
147.11664	77.8
148.11902	1.0
149.09599	1.3
149.13150	1.1
153.12611	1.1
157.10162	1.8
159.11626	1.0
163.11154	3.5
165.09029	1.1
165.12737	30.6
165.14050	1.7
167.80286	1.0
175.11165	3.3
177.05420	1.4
177.12856	0.9
183.13763	3.9
191.10754	1.1
193.12292	2.5
209.11639	1.1
229.14351	9.5
265.14032	1.2
267.15875	87.5
268.16174	2.4
269.17468	3.7
285.16916	100.0
286.17316	1.1
301.16489	1.8
459.07474	1.1
459.27258	4.3
463.10165	3.1
477.28430	22.2
495.29483	83.6
496.29944	2.6
513.30511	1.3
621.32336	2.1
639.33606	2.4
671.49048	1.0
692.26007	1.8
693.17456	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	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01866	6.3
55.05503	34.4
57.03424	20.0
57.07063	2.9
59.04986	4.0
61.02911	8.3
65.03925	3.7
67.05492	100.0
69.03435	4.8
69.07059	19.0
70.81022	1.0
71.01342	1.9
71.04993	6.5
71.35358	2.8
73.02899	4.3
79.05481	38.3
81.03406	17.0
81.07043	78.1
83.04964	10.6
83.08601	24.0
83.09086	1.9
84.09022	0.9
85.02890	18.4
85.06532	4.0
87.04471	5.2
91.03931	5.0
91.05467	27.1
93.06429	2.2
93.07029	44.5
95.04967	9.2
95.08587	23.1
97.02877	9.6
97.06509	10.6
97.10151	13.9
99.04435	2.0
99.08055	2.6
105.07014	14.3
107.04908	5.7
107.08578	29.2
109.06502	4.8
109.10136	48.4
111.04447	1.4
111.08044	7.0
113.05981	1.1
117.07004	8.3
119.08551	9.7
121.06498	3.2
121.10135	12.9
123.08048	3.3
123.11716	4.6
125.09614	12.6
127.03877	2.3
129.05444	6.7
131.08554	10.8
133.10107	13.6
135.08011	2.8
135.11661	11.3
137.05952	1.3
137.09601	4.3
139.11183	1.4
141.36951	1.1
143.10666	2.8
145.10106	6.0
147.11681	5.4
149.09645	1.3
149.13255	12.0
151.11172	1.5
153.12772	3.4
155.10677	3.5
157.10135	1.1
159.11641	9.1
162.27481	1.0
163.11148	9.8
165.09154	2.0
165.12729	2.3
171.11734	1.6
173.09532	1.6
173.10278	1.3
173.11723	15.8
175.11131	1.8
177.12712	5.0
181.12225	3.7
191.10643	2.2
193.12222	3.1
195.13779	14.3
199.13283	6.3
209.11743	5.4
211.13258	2.1
213.14883	1.7
227.12799	7.6
229.14305	44.8
239.16402	2.5
257.13849	2.9
267.15820	8.3
269.17429	54.3
283.15396	3.6
285.16983	1.6
297.17041	1.2
301.16455	14.3
339.23438	1.1
364.93289	1.2
393.26331	1.4
411.27347	5.1
423.21680	1.5
423.27383	28.1
449.28787	1.2
463.10162	3.8
463.29123	1.0
477.28735	2.1
495.29462	49.5
496.29968	3.2
513.30511	20.5
514.31024	1.3
552.01489	1.1
561.10455	1.2
693.17285	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	692.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.7
53.03934	2.5
55.01861	3.5
55.05508	4.0
57.03434	2.8
64.21283	1.4
65.03938	1.6
67.05492	7.9
67.37531	1.2
69.03425	12.7
69.07058	16.9
69.46425	7.9
69.46853	4.5
70.06575	1.8
71.04978	5.6
73.02894	1.9
75.15544	1.3
79.05476	14.4
81.03403	7.3
81.07043	12.3
83.04970	34.7
83.08610	2.0
85.02886	17.3
85.06529	2.4
91.05457	15.7
93.07039	12.5
93.76714	1.3
95.04959	15.2
95.08582	4.1
97.02882	100.0
97.06518	43.0
99.04440	8.1
103.05470	2.4
105.07021	29.9
107.04947	5.3
107.08578	11.0
109.02839	2.3
109.06513	8.4
109.10101	1.7
111.04422	3.3
111.08115	2.3
113.05994	10.4
115.03934	3.9
115.05434	2.6
117.07013	7.7
119.04928	4.8
119.08543	10.0
121.02860	1.7
121.06483	18.6
121.10143	3.5
123.04450	3.1
123.08071	1.8
125.05979	43.7
125.09669	1.7
127.03889	6.0
128.06200	3.3
129.06998	6.4
130.07788	2.4
131.04863	2.0
131.07031	42.9
131.08507	17.9
133.06491	8.7
133.10104	7.6
135.04411	3.8
135.08064	2.9
135.11609	2.0
137.02338	1.3
137.05966	7.5
137.17409	1.3
139.07524	4.3
141.06987	2.9
142.07750	1.6
143.07008	32.8
143.08559	5.7
144.09305	2.3
145.02814	3.9
145.04951	4.8
145.06407	7.6
145.10103	57.2
147.04402	4.9
147.08035	3.9
147.11671	3.7
149.05939	4.6
149.09607	2.2
151.03836	2.9
151.07509	10.5
153.01830	2.1
153.05577	1.9
153.06932	2.2
155.07074	1.6
155.08514	3.2
156.09435	1.9
157.06461	2.8
157.08675	1.6
157.10135	5.4
158.07233	4.1
159.08034	8.8
159.11667	23.5
161.05988	2.6
161.09555	2.6
163.03868	4.5
163.06049	2.0
163.07449	1.8
163.11157	7.8
165.05431	1.6
165.09154	1.9
167.03442	1.6
167.07043	2.4
167.08473	1.7
169.10086	8.7
171.07990	2.5
171.11627	2.3
172.08820	3.6
173.05992	1.9
173.09604	35.9
175.07535	10.9
175.11076	2.0
177.05473	11.6
177.09015	2.1
177.12743	8.2
178.06207	5.4
179.06943	5.2
179.08427	1.7
181.08519	1.9
185.09663	2.0
186.10443	1.8
187.07509	5.8
187.11156	35.6
189.09079	3.7
189.12723	2.7
191.03513	2.1
191.06979	7.0
191.10616	12.9
193.04887	2.0
193.08575	4.0
193.12277	1.8
195.06505	23.8
195.08167	2.0
195.11658	2.1
196.06944	7.0
196.08669	1.4
197.09659	5.5
198.05208	2.3
200.04799	1.3
201.09079	3.2
203.06956	3.7
203.10612	3.1
205.04927	3.2
205.08621	5.2
205.12196	39.8
209.09860	1.5
209.11697	5.7
211.07513	2.6
212.16347	1.5
213.09056	3.0
215.10646	39.1
217.08624	1.6
220.11955	1.6
221.08075	4.3
223.11179	2.2
223.13293	2.7
227.10692	2.4
229.08685	1.7
233.08131	1.8
233.11681	46.0
239.09132	6.0
241.04684	1.5
241.12283	3.8
243.06398	1.6
246.05182	1.4
249.11458	1.6
251.10629	2.1
251.12801	17.1
254.34755	1.7
255.02974	2.6
259.13367	3.0
265.12094	2.5
267.15866	4.3
269.04544	2.0
269.11627	4.5
269.14197	3.0
283.13278	10.2
285.14572	2.1
287.12875	2.6
293.11884	6.0
300.05966	2.0
301.06931	2.8
301.14371	6.1
302.00522	2.0
302.04239	2.7
303.00903	2.3
305.13828	1.8
311.12692	11.9
312.06064	3.8
313.06833	3.4
315.04858	8.7
315.08215	2.1
316.05289	3.5
317.05399	2.4
329.06357	1.5
329.13828	14.3
330.07324	4.1
331.07794	3.3
344.08984	2.5
345.09653	25.0
346.10031	26.0
347.10153	19.5
347.14841	17.1
348.10410	11.3
360.08426	1.8
365.15887	7.7
377.07333	1.7
383.16907	19.9
389.05847	1.8
399.10809	8.9
417.05515	1.9
429.06021	1.7
437.08731	1.7
438.09222	2.9
450.09396	3.3
457.05478	2.4
459.27704	2.0
463.10159	4.8
473.08633	1.8
474.09143	1.9
477.28482	2.8
504.10266	1.6
505.11444	1.6
564.08752	2.7
578.10443	5.3
579.11066	6.1
603.18567	3.4
605.20050	2.0
629.16370	5.0
631.17712	3.2
647.17084	2.3
657.15558	4.5
674.15729	10.4
675.17041	26.9
692.16650	7.5
693.18024	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01858	2.8
55.05505	5.5
57.07066	2.1
63.86763	1.5
67.05489	10.5
69.03419	7.8
69.07056	11.7
71.01328	1.9
71.04977	3.7
71.58683	2.8
72.19260	1.5
79.05488	10.1
81.03376	2.1
81.07035	6.7
83.04973	26.1
84.08138	2.0
85.02905	5.3
85.06542	3.2
86.06087	2.0
91.05459	11.1
93.07022	11.2
95.04950	8.7
95.08596	3.0
97.02882	100.0
97.06513	26.1
98.03222	1.7
99.04444	6.7
105.07024	24.3
107.04961	4.8
107.08579	7.0
109.02850	1.9
109.06512	5.0
109.10133	1.9
111.04399	2.3
113.06004	2.7
117.06987	2.9
119.04984	2.0
119.08556	6.2
121.02856	1.8
121.06490	17.8
121.10095	1.9
123.04414	2.3
123.08126	2.0
125.05976	39.0
128.06190	2.3
129.06998	5.7
130.07849	2.7
131.06970	2.9
131.08533	11.4
133.06490	5.9
133.10098	3.3
135.04425	2.7
135.07991	3.1
137.05975	6.3
141.06932	2.3
143.07028	28.6
143.08572	7.0
144.09358	2.2
145.02888	3.6
145.06490	6.0
145.10103	34.6
147.04387	3.3
147.08023	4.4
147.11661	2.8
149.05988	5.0
149.09654	1.7
151.07535	8.0
153.05513	2.6
155.08546	3.5
157.10103	3.8
158.07219	3.3
159.07968	7.2
159.11670	13.1
161.06044	2.6
161.09602	2.4
163.03912	2.3
163.07545	4.6
163.11163	4.5
165.06984	2.5
167.07031	6.2
167.08452	1.7
169.08791	2.0
169.10150	3.9
171.04466	1.5
171.08087	3.9
172.08807	3.0
173.06012	2.3
173.09607	28.4
174.10065	2.2
175.07570	3.3
177.05495	8.3
177.09062	2.2
177.12723	4.1
178.06061	5.1
179.07007	2.6
179.08534	2.1
180.09259	2.1
181.08577	2.2
183.08040	1.7
183.11758	1.9
184.07286	2.2
185.08069	2.3
185.09625	4.3
187.07545	5.6
187.11176	20.6
189.09030	4.1
191.07034	5.5
191.10669	11.8
195.06483	2.3
195.11745	2.9
196.08791	1.9
197.09554	3.5
199.11197	2.2
201.09071	2.1
203.10739	2.3
205.04939	2.4
205.08623	6.0
205.12166	20.7
207.10065	1.9
209.11598	7.7
213.05493	1.9
213.09155	2.6
215.07053	4.0
215.10646	20.6
217.08649	1.9
223.11166	3.3
227.10577	1.8
229.08557	2.6
231.13742	2.2
233.08115	3.6
233.11705	23.4
237.12712	2.9
239.09108	2.3
241.12219	3.7
251.12837	6.9
255.13870	2.4
259.13232	4.4
265.12164	3.5
269.11713	4.9
283.13205	9.8
285.14905	2.6
287.12762	5.1
293.11801	6.2
301.14371	7.5
311.12701	14.8
312.06042	3.2
313.03476	2.6
315.05051	3.2
316.05197	1.8
317.06586	2.2
319.15335	3.2
329.13776	21.9
330.07141	1.7
345.09753	7.3
345.44543	1.7
346.09949	2.7
347.14859	31.8
365.15961	2.8
383.16891	19.8
399.10568	5.5
455.07449	2.9
467.11002	2.1
477.28134	2.6
485.12109	2.6
487.10770	1.6
495.10638	1.9
503.13364	3.4
517.11304	5.8
519.12079	1.8
541.15790	1.5
543.16107	4.4
559.15973	2.4
563.12000	4.1
585.17303	10.8
603.18579	20.5
629.16113	7.2
647.17487	3.5
657.16125	3.4
674.15131	2.7
675.16956	14.9
693.18085	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	692.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25216	0.5
53.03933	1.2
55.01860	0.9
62.62031	0.5
65.03916	1.1
66.04713	0.8
67.05455	0.6
69.03410	1.0
70.06574	2.1
71.60564	0.8
74.28862	0.7
78.04695	0.7
79.05473	2.7
81.03397	1.1
81.07037	1.0
83.04966	0.6
85.02872	1.1
87.04396	0.7
89.03893	0.6
91.05457	6.7
93.03402	1.2
93.07037	1.4
94.04177	3.4
95.04945	2.2
97.02875	2.4
97.06520	1.2
97.26678	0.6
103.05448	5.1
104.06342	0.6
104.07091	0.9
105.03386	0.9
105.06995	4.1
106.04153	2.4
107.04952	4.3
109.02875	0.7
109.06502	1.1
111.04460	1.2
115.05425	2.5
115.54741	0.5
117.07002	1.9
118.04196	0.6
119.04926	2.2
121.06487	5.2
122.03625	5.7
123.04385	2.7
123.08031	0.6
124.05226	0.7
125.05958	1.0
127.03898	0.9
128.06213	1.2
128.07080	0.6
129.06982	2.3
131.04912	7.9
131.08546	1.7
132.05641	1.8
133.06462	5.9
134.03662	1.0
135.04381	2.9
135.08041	2.1
136.05222	0.7
137.05957	100.0
138.06340	1.7
143.04889	0.8
143.08524	1.8
144.05670	1.2
145.02814	0.7
145.06439	2.6
147.04382	2.2
147.08014	1.2
148.05161	1.1
149.05959	5.5
151.03835	1.0
151.07526	8.4
152.04683	0.8
152.07864	0.6
153.05396	0.9
153.09077	1.2
155.06990	0.8
157.05286	0.6
157.06461	2.7
159.04408	0.6
159.08005	1.1
160.05205	2.0
161.05963	15.2
161.09637	1.6
162.06529	0.5
163.03928	1.4
163.07535	11.0
165.05486	1.7
165.09091	1.4
167.07022	24.9
167.08325	1.1
169.06378	1.0
171.08051	1.9
173.06007	1.2
174.06735	2.0
175.07535	19.0
176.07799	0.7
177.05469	4.5
177.09087	1.8
178.05971	0.7
178.07750	0.6
179.07051	3.0
180.07823	0.9
181.06439	1.5
181.08563	11.8
181.10136	0.8
182.07253	0.8
183.08043	0.8
187.07532	5.4
188.08237	0.9
189.09091	7.6
190.00856	0.7
190.07724	0.5
191.07007	10.0
191.08690	1.0
191.10603	0.8
192.07742	2.2
193.08569	7.0
195.06424	0.8
195.08022	1.4
196.08879	0.9
197.05960	0.8
198.06808	0.7
199.07483	1.2
201.09120	4.1
203.08670	1.2
203.10638	4.2
205.06662	0.7
205.10135	1.5
206.07188	0.9
207.08131	0.8
207.10294	0.5
208.01840	0.9
209.06145	0.5
209.08046	12.7
211.07626	1.1
212.08252	1.0
213.09058	3.1
215.08626	1.2
215.10658	1.1
218.07268	1.7
219.08163	1.0
219.10141	1.7
221.05859	1.1
221.09616	0.9
223.04213	8.1
223.07439	0.6
224.08275	1.0
225.09048	1.5
227.07077	0.8
227.10583	3.6
229.08641	0.6
229.12303	0.7
231.08022	0.7
232.08813	0.8
233.05966	1.6
233.09560	6.0
233.11604	0.8
234.10338	0.6
235.07500	1.3
237.09448	0.7
239.07045	0.6
239.10736	2.0
240.07660	0.5
241.08513	1.0
241.12279	0.8
245.11755	1.1
246.06879	0.9
247.07457	0.8
249.09081	2.3
250.09921	0.9
251.07037	0.7
251.10674	1.3
253.08537	1.0
255.09932	0.6
257.11771	2.1
260.08301	0.7
261.09015	5.2
265.09116	1.2
265.12201	1.6
267.10220	0.8
269.08438	0.6
275.10648	1.7
277.08633	0.9
278.09525	1.0
279.10022	0.6
281.11719	1.0
283.09766	1.0
283.13159	1.5
285.11307	1.8
293.09039	0.9
293.11786	4.6
295.09741	1.8
297.11264	0.8
299.12869	0.9
303.13550	0.7
309.11264	0.7
311.09497	0.8
311.12766	8.8
312.08987	1.7
315.12112	2.9
317.13846	4.7
319.13235	0.9
321.08316	1.0
323.12827	0.8
325.14322	2.0
327.12173	1.3
329.06555	0.7
329.13800	6.3
330.14078	0.7
337.14322	0.7
339.09677	0.9
343.15253	1.4
345.13248	1.1
349.14236	2.2
351.15906	12.7
352.16028	0.6
355.15503	0.7
359.11658	0.6
363.15820	3.7
369.16901	8.5
381.16852	4.4
389.13306	1.6
399.10837	1.0
399.17868	0.7
427.63046	0.6
441.16211	0.6
443.13046	1.9
444.13666	5.5
473.19870	0.7
487.54419	0.6
505.22214	3.1
523.23425	5.0
535.23474	1.1
550.75195	0.7
657.15729	0.9
693.18274	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	691.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.2
53.03936	9.6
55.01849	5.3
55.05275	2.2
55.05506	28.1
55.30574	1.7
57.03434	11.7
57.07066	2.9
57.17069	1.7
58.31081	1.9
65.03923	5.2
67.05495	86.2
69.03422	23.1
69.07051	19.8
71.04966	6.8
73.02920	2.5
79.05482	56.5
81.03405	40.7
81.07046	100.0
83.04963	20.6
83.08593	11.8
85.02878	9.6
85.06545	3.1
85.48415	1.7
91.05464	45.2
93.07034	68.1
95.04952	12.7
95.08591	53.8
97.02876	13.6
97.06532	12.4
97.10153	5.1
98.21587	2.2
99.04448	6.3
99.08086	2.8
103.03915	3.0
105.07018	36.1
107.04936	6.2
107.08576	34.6
109.02850	8.5
109.06498	7.5
109.10133	18.4
111.04420	6.6
111.08053	7.0
115.05442	2.3
117.07000	20.5
119.08569	26.1
121.06487	4.9
121.10117	26.7
123.08044	4.4
123.11695	9.3
127.03896	7.2
128.06184	3.0
129.05450	7.9
129.06992	6.9
131.04909	1.8
131.08560	26.3
133.06470	3.6
133.10098	22.4
135.08041	4.0
135.11658	13.6
137.09593	2.4
139.11145	2.7
141.06940	3.4
143.08562	7.0
145.06442	2.4
145.10085	16.1
147.08011	5.4
147.11658	17.2
149.09633	4.0
149.13234	15.8
155.08519	5.6
156.09250	2.0
157.10126	5.7
159.08093	2.3
159.11685	19.0
161.09581	2.6
161.13235	8.1
163.14757	2.3
165.12720	4.9
169.10101	5.6
171.11650	10.3
173.13252	5.5
175.11122	2.6
175.14783	2.5
175.44867	1.8
177.12773	5.1
183.11676	4.8
185.13239	3.0
187.11218	2.2
187.14801	4.0
189.12743	3.0
195.13763	10.1
197.13199	6.0
199.14850	4.2
201.12779	2.9
201.16331	1.6
203.10600	1.7
209.13185	2.3
213.16489	2.4
231.13774	2.5
231.22685	2.6
259.20526	3.1
261.14859	1.9
261.22089	9.0
267.15912	9.4
269.17401	29.9
301.21661	4.5
317.24661	2.0
327.23019	2.3
335.25806	23.3
337.27368	3.0
339.17792	4.3
341.24747	2.2
351.23120	3.3
369.24176	7.9
371.26224	2.1
387.25156	4.3
405.26120	3.3
413.21490	4.3
437.34155	3.7
443.27670	4.3
455.34763	2.2
461.29172	2.7
479.29935	6.0
529.38849	46.0
571.39642	2.2
619.40186	1.9
637.40424	4.8
655.41418	3.9
673.42883	10.7
691.43793	13.3
708.78009	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68114	1.7
53.03932	9.5
55.01859	6.2
55.05508	24.1
57.03427	13.3
57.07060	3.6
59.57033	2.1
65.03931	5.3
67.05497	81.3
69.03413	22.3
69.07070	22.0
69.93073	2.0
70.29075	5.7
70.29479	4.0
71.04982	8.4
73.02893	4.1
73.24934	1.9
76.64588	1.8
79.05489	56.0
81.03411	51.2
81.07049	100.0
82.07383	2.5
83.04968	20.5
83.08616	17.8
85.02888	8.6
85.06523	6.1
87.04472	2.8
91.05471	43.3
93.07037	61.0
94.07330	2.8
95.04954	13.6
95.08600	47.1
97.02892	18.3
97.06527	9.0
97.10138	6.8
99.04425	7.5
99.08070	3.3
103.05484	3.4
105.04531	2.1
105.07015	33.2
107.04961	5.4
107.08581	34.3
109.02851	8.0
109.06516	4.7
109.10145	18.0
111.04431	7.1
111.08089	5.4
115.05441	2.5
117.07009	17.4
119.08582	22.1
121.06506	4.6
121.10136	28.7
122.10438	2.8
123.08057	4.3
123.11731	9.9
125.09661	3.3
127.03894	8.1
128.06270	3.3
129.05460	9.1
129.06979	8.3
131.08556	19.5
133.10124	22.0
135.08026	3.3
135.11676	16.0
137.09601	3.2
138.36555	2.0
139.11221	2.2
141.06923	3.0
143.08528	7.2
145.06448	2.3
145.10094	14.2
147.11681	12.9
148.16177	2.2
149.13225	17.5
157.10114	8.3
159.11711	20.9
161.13193	6.1
163.11075	2.8
163.14775	3.4
165.12727	4.1
169.10109	5.6
171.11693	6.3
173.04498	10.0
173.09537	3.6
173.13217	8.7
177.12724	9.9
187.11086	2.7
187.14798	5.7
195.13742	10.4
197.13336	2.8
199.11134	2.7
199.14702	2.6
201.16344	2.5
211.14894	2.4
213.14633	2.7
227.12720	2.5
243.16026	2.5
243.21133	2.2
259.20419	3.0
261.22260	3.9
267.15735	5.2
269.17395	17.7
275.16507	2.4
301.21436	2.2
317.24707	2.5
335.25854	18.6
337.27356	3.9
339.18030	4.8
344.16318	2.2
369.24216	5.3
387.25424	3.2
413.21753	3.6
443.27994	3.0
461.29050	4.5
479.29645	4.5
503.37582	10.2
519.36725	5.2
529.38995	21.5
547.40063	3.8
655.41205	3.3
673.42194	7.2
691.43976	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	691.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.6
55.01859	6.4
55.05501	28.1
57.03434	13.0
57.07058	3.7
65.03921	6.0
67.05495	100.0
69.03416	22.0
69.07056	25.9
69.31455	21.6
69.31871	6.4
71.01354	2.5
71.04971	16.8
73.05997	2.1
79.05486	54.0
81.03404	54.2
81.07047	99.9
83.04975	26.8
83.08598	13.3
85.02872	7.2
85.06543	3.5
91.05470	47.2
93.07030	71.1
95.04958	18.1
95.08018	3.7
95.08592	57.9
97.02892	17.1
97.06509	7.0
97.10152	5.6
99.04426	6.6
105.07014	35.8
107.04958	5.7
107.08574	35.3
108.43705	2.5
109.02853	9.8
109.06487	5.9
109.10146	24.8
111.04432	7.7
111.08042	7.4
117.06995	15.5
119.08561	23.1
121.06438	3.4
121.10131	24.5
123.07994	4.7
123.11670	10.9
127.03870	6.6
127.07564	2.9
129.05455	9.2
129.06967	9.3
131.08537	20.0
133.06425	4.9
133.10112	24.7
133.64519	2.4
135.08022	6.2
135.11659	17.5
135.12498	2.5
137.09579	4.4
137.13286	2.2
141.06946	3.3
143.08524	9.0
145.06445	6.0
145.10091	18.9
147.11676	23.1
149.13235	20.2
151.11131	4.0
157.06430	2.4
157.10091	6.9
159.07999	4.5
159.11697	17.1
161.13231	8.4
163.14854	2.6
165.12700	6.3
169.10045	5.0
171.11595	6.2
173.09612	3.6
173.13243	7.9
174.31239	2.4
175.11145	3.7
177.12726	3.7
183.11615	3.6
185.13225	6.9
187.14755	3.2
193.10240	2.7
195.13737	10.1
199.14766	2.7
229.14212	2.9
261.22113	9.7
267.15845	8.9
269.17432	20.9
291.19617	2.7
301.21683	3.6
317.24518	2.8
335.25803	22.2
337.27240	6.1
351.23230	4.2
353.24716	3.2
369.24069	8.8
398.54523	2.8
403.76495	2.9
405.26096	2.8
413.21585	4.1
529.38873	26.5
530.38666	3.8
547.39966	6.8
655.42035	4.0
673.43188	12.0
691.43365	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
55.01862	5.0
55.05508	26.3
57.03440	12.6
57.07073	3.0
63.04028	2.0
65.03924	5.9
67.05497	80.8
67.35634	2.1
69.03427	20.3
69.07060	24.4
71.04976	8.8
71.63989	4.0
73.02882	2.4
79.05487	52.5
81.03410	54.8
81.07047	100.0
83.04974	33.5
83.08600	12.5
85.02891	11.0
85.06537	3.7
91.05473	46.0
93.07037	59.9
95.04961	15.7
95.08595	55.1
95.09203	2.9
95.66044	2.1
97.02879	20.4
97.06509	8.4
97.10139	5.5
99.04456	6.3
99.08090	3.5
105.07021	36.3
107.04945	8.8
107.08580	34.8
109.02840	10.5
109.06511	7.6
109.10149	19.0
111.04432	8.9
111.08078	5.4
117.07013	17.1
119.08563	25.5
120.90942	1.9
121.06417	2.5
121.10133	21.8
123.08048	2.3
123.11687	13.5
127.03920	9.3
129.05475	12.6
129.06952	11.4
131.04930	2.1
131.08551	24.2
131.95174	2.2
133.06491	4.4
133.10124	20.9
135.04391	2.4
135.08041	4.2
135.11678	15.1
137.09584	3.2
137.13232	3.4
143.08545	8.2
145.10101	16.1
147.11676	20.6
148.68289	2.3
149.09586	5.7
149.13222	19.4
151.11217	2.2
155.08586	5.5
157.10118	4.6
159.11702	14.3
161.13229	6.9
162.07616	3.2
163.14767	4.2
165.12730	7.4
169.10152	5.0
171.08023	2.6
171.11688	7.5
173.13225	5.2
175.11041	2.3
177.12715	5.0
183.11641	2.4
185.13141	2.3
187.14822	3.7
193.10251	2.5
193.12099	2.7
195.13797	7.4
197.13118	2.4
199.14833	2.8
203.10846	2.7
213.14749	2.3
259.20621	2.3
261.22125	7.4
263.23645	2.6
267.15903	10.4
269.17474	19.6
277.21729	3.3
301.21680	2.9
335.25815	22.7
337.27322	8.7
369.24289	7.4
387.25323	4.6
405.26392	2.5
411.20480	3.2
413.21765	5.6
461.29068	3.3
479.29318	2.9
529.38806	33.0
530.38458	2.1
547.39313	2.2
595.39886	2.9
637.41138	3.5
655.41669	6.2
671.87329	2.5
673.43311	12.5
691.44452	21.5
710.20911	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	690.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
52.54079	1.1
53.03926	4.0
53.83005	1.0
55.01863	7.1
55.05509	21.2
57.03431	11.5
59.04985	1.4
61.02914	4.7
65.03928	1.5
67.05154	1.7
67.05496	25.2
67.53896	1.1
69.03418	8.4
69.07062	8.2
69.49806	7.5
69.50213	2.1
70.06575	1.5
71.01334	1.4
71.04984	7.9
71.08607	2.9
72.08138	1.5
73.02906	2.1
79.05483	29.1
81.03406	48.6
81.07043	33.5
83.01341	3.5
83.04972	14.8
83.08603	21.6
85.02396	1.8
85.02894	21.6
85.06532	1.6
86.06056	13.6
87.00818	1.6
87.04482	1.1
91.03951	1.6
91.05464	29.8
93.07034	29.6
95.04954	22.1
95.08597	14.1
96.08157	1.7
97.02871	10.0
97.06518	6.5
97.10155	5.3
98.09678	3.3
98.20706	1.4
99.04437	4.5
99.08073	3.2
103.05428	1.7
105.07016	20.2
107.04945	11.9
107.08591	15.2
108.08094	1.2
108.08793	1.2
109.02858	3.1
109.06503	6.6
109.10115	4.6
110.01397	1.0
111.04448	3.1
111.08050	6.3
113.06015	1.4
115.05445	1.4
116.10717	32.0
117.06994	5.5
119.08546	18.3
120.47464	1.0
121.06472	5.6
121.10120	10.7
122.09708	1.5
123.04369	1.2
123.08048	6.6
123.11665	1.6
124.07592	1.1
125.05927	1.0
125.09608	3.2
127.03887	6.0
129.07010	8.7
130.07710	1.2
131.04938	1.2
131.08556	8.5
133.06488	1.6
133.10098	9.1
135.11667	10.9
137.05969	2.6
137.09612	2.7
138.42909	1.1
142.07672	1.7
143.08504	1.4
145.02844	1.7
145.10098	13.6
147.08000	4.0
147.11662	10.1
149.09590	5.1
151.11223	2.0
155.08501	2.4
157.10114	8.1
163.11157	18.0
165.09091	3.2
165.12720	2.4
173.09500	2.8
175.11197	9.2
177.05447	3.5
177.31491	1.1
181.12288	1.2
189.09184	1.4
189.11186	2.2
191.10640	2.3
193.12216	27.2
193.37354	1.1
195.06387	1.5
209.11707	3.9
211.13255	43.0
214.18004	3.3
227.12695	10.5
228.13135	1.8
231.04939	1.5
235.93436	1.1
267.15891	14.2
282.24185	3.1
283.15366	47.8
284.15652	2.1
284.22137	1.6
285.16919	35.6
308.22250	2.5
315.04935	2.0
326.22958	2.7
329.12109	1.3
330.07211	1.6
344.08453	1.2
344.24265	34.3
345.09750	5.5
346.10007	2.9
383.22122	3.6
442.31799	7.9
457.25769	2.4
462.23166	2.2
475.26852	16.9
493.27863	100.0
494.28076	3.3
506.29199	1.4
518.11572	1.3
592.29504	22.1
593.29449	1.4
673.14929	1.5
690.18054	9.3
690.36420	4.4
691.16870	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	690.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67503	0.7
52.68469	0.7
53.03944	2.0
55.01868	3.7
55.05503	12.5
57.03425	10.1
61.02915	1.8
65.03934	1.7
67.05496	19.2
69.03422	4.9
69.07053	8.7
70.06558	1.2
71.04994	3.9
73.02894	2.2
79.05482	26.2
81.03404	38.0
81.07040	26.3
81.79849	0.8
83.04515	1.2
83.04967	8.9
83.08604	17.0
85.02891	20.2
85.06534	1.7
86.06055	2.8
90.43604	0.8
91.05466	22.2
93.06441	1.8
93.07030	35.4
94.11117	1.0
95.04350	0.8
95.04955	18.6
95.08591	31.2
97.02876	7.4
97.06527	5.5
97.10158	2.9
98.09691	0.8
99.04440	3.6
99.08076	1.9
103.05483	1.8
105.01830	0.7
105.07011	18.2
107.04935	11.2
107.08582	22.9
107.91782	0.9
109.02874	2.6
109.06509	4.6
109.10133	4.0
111.04432	2.6
111.08080	5.1
113.06014	2.6
116.10700	5.8
117.06997	8.6
119.08562	19.4
121.06491	4.6
121.10134	14.9
123.08033	2.0
123.11679	1.2
125.05982	2.9
127.03915	3.3
127.91167	0.8
129.07002	6.3
130.07797	1.1
131.04938	1.0
131.08548	6.9
133.10114	8.3
135.04434	0.9
135.08058	1.7
135.11670	39.5
136.12057	1.2
137.05963	1.7
137.09592	1.7
139.07510	2.3
142.07755	1.7
143.08549	1.1
145.02792	1.1
145.06522	0.9
145.10101	23.5
146.10414	0.9
147.04398	1.5
147.08037	2.0
147.11662	9.9
149.09547	4.4
151.07532	1.1
153.12708	1.0
157.10097	9.5
163.03899	1.0
163.11159	51.7
164.11522	1.0
165.09103	2.5
165.12740	2.7
167.07112	1.6
173.09573	1.4
175.11137	8.3
177.01945	1.0
177.05472	2.5
178.06282	2.3
179.06978	1.2
181.12201	9.4
193.12213	26.0
194.09201	1.1
195.06357	0.9
209.11693	2.5
211.13258	37.5
212.13667	1.5
214.17961	2.0
227.12749	64.1
228.13145	1.4
229.34836	1.2
242.75658	1.0
255.02896	1.5
257.88556	0.8
259.06256	0.9
267.15891	28.5
278.05655	1.1
283.15353	62.8
284.15723	2.2
285.07523	1.0
285.16913	51.5
286.17218	2.0
287.05475	1.4
312.05847	0.8
315.04837	7.7
326.23206	1.8
330.07297	3.0
338.07614	1.0
344.08936	1.2
344.24426	3.9
345.09604	14.4
346.10132	2.8
361.09311	1.2
363.08737	1.0
364.05496	4.1
379.08112	2.8
397.09271	2.4
401.23135	0.9
422.18341	0.8
425.08704	5.9
438.08636	0.9
442.31619	1.2
475.26852	33.1
476.27200	2.0
493.27899	100.0
494.28207	4.2
574.28448	1.4
592.29456	3.4
673.14624	1.0
681.82532	0.9
690.17944	19.7
691.17200	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01849	6.0
55.05497	26.5
56.29759	2.0
57.03425	11.0
57.07058	5.2
59.20373	2.2
61.02919	8.7
65.03925	5.1
67.05493	66.3
69.03422	27.2
69.07059	22.2
71.04966	10.1
73.02892	6.6
79.05479	47.2
81.03404	72.1
81.07038	73.5
81.60902	1.9
83.04960	18.0
83.08601	14.0
85.02881	13.1
85.06509	3.1
91.03950	3.0
91.05457	48.8
93.07027	53.0
95.04951	11.7
95.08593	42.8
97.02873	26.4
97.06515	8.5
97.10147	5.5
99.04435	8.2
104.16222	1.8
105.07017	46.9
107.04947	3.9
107.08569	25.9
109.02861	12.0
109.06488	5.8
109.10129	14.2
111.04399	6.4
111.08073	4.6
112.91240	1.8
115.05388	3.1
117.07008	22.0
119.08556	35.4
121.06501	3.6
121.10110	26.2
123.08069	4.2
123.11668	7.6
127.03924	13.0
128.06195	4.9
129.05446	7.3
129.06978	20.1
130.07767	3.3
131.08542	32.5
133.06432	3.4
133.10104	22.4
135.08047	3.5
135.11653	16.5
141.06969	7.9
142.07712	5.3
143.08528	26.2
145.06508	2.2
145.10077	30.9
147.11656	26.4
149.09634	3.0
149.13287	10.2
154.07695	3.2
155.08536	12.5
156.09210	2.0
157.10114	23.7
159.08052	3.1
159.11626	22.3
161.09691	4.2
161.13248	10.6
163.11134	2.3
163.14809	2.9
164.27118	1.7
165.12740	7.6
167.08568	6.3
168.09372	3.0
169.10112	19.0
171.08063	2.7
171.11656	19.8
173.04446	14.4
173.09642	3.6
173.13220	13.3
175.11206	2.0
175.14824	4.6
177.12715	3.1
179.14345	1.9
181.10088	9.6
183.11638	14.8
185.09526	3.5
185.13277	15.0
187.11266	4.8
187.14760	7.0
193.10150	4.3
193.12183	3.6
195.11665	9.1
195.13585	3.1
197.13268	9.7
199.11134	3.5
199.14809	6.6
201.12611	2.8
201.16505	2.0
207.11739	2.1
209.13206	5.2
211.14818	7.2
213.16493	3.0
221.13177	2.8
223.14786	6.1
225.16402	2.7
227.14299	2.2
227.16229	2.3
237.16237	2.3
239.17989	2.3
241.19463	6.8
259.20529	9.7
267.15924	7.5
269.17426	9.7
275.20163	1.9
295.20468	3.9
301.21637	3.6
311.23532	3.5
313.21609	2.2
333.24304	5.0
335.25784	5.8
351.23099	3.3
367.22546	4.0
411.20099	3.5
417.31232	3.5
435.32675	14.7
453.33459	8.1
471.34427	6.0
473.33679	2.2
509.36267	11.5
515.36444	2.4
517.39252	3.3
525.35345	6.6
527.37262	100.0
528.37598	9.0
529.38690	4.9
539.37061	3.0
543.36188	2.7
545.38116	7.5
561.35968	2.6
569.38116	5.2
623.38812	2.7
635.39069	6.3
653.40125	5.9
671.41797	10.9
689.42474	48.2
690.42682	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.5
53.03951	8.4
53.04154	1.4
55.01850	5.4
55.05284	1.9
55.05504	26.1
57.03435	14.8
61.02923	13.6
65.03925	5.1
67.05497	69.1
68.05820	2.1
69.03423	26.1
69.07060	21.2
69.29495	19.5
71.04975	7.4
71.36446	1.8
73.02905	9.7
79.05035	3.1
79.05481	50.6
81.02958	3.9
81.03408	55.6
81.07049	70.7
82.07375	2.9
83.04973	14.0
83.08606	16.4
85.02900	19.2
85.06529	3.9
87.04465	2.0
91.03924	6.8
91.05471	48.1
92.05786	1.9
93.07029	54.5
95.04953	16.5
95.08599	37.7
96.08908	1.8
97.02885	27.2
97.06507	7.9
97.10143	7.3
99.04446	7.5
99.08105	2.1
103.03887	2.2
103.05435	2.8
105.07018	49.0
107.04957	8.7
107.08581	29.9
109.02850	7.7
109.06503	9.5
109.10141	15.3
111.04393	4.2
111.08075	4.0
115.05450	5.2
117.07006	25.3
119.08573	33.8
121.06489	6.1
121.10126	22.5
123.04403	5.0
123.08052	5.6
123.11688	12.0
125.09628	5.0
127.03923	10.0
128.06183	7.6
129.05444	6.2
129.06982	24.5
131.08554	34.6
133.06494	3.3
133.10124	21.9
135.08052	2.9
135.11661	10.9
137.09570	3.7
139.11046	2.3
141.06989	7.9
142.07813	4.4
143.08549	23.1
145.04987	1.7
145.06490	2.6
145.10110	28.2
147.08015	3.8
147.11673	24.2
149.09604	3.4
149.13216	11.1
153.07004	2.7
155.08548	11.3
157.10107	24.8
159.08046	2.3
159.11656	23.2
161.06032	2.2
161.09619	4.0
161.13228	8.7
163.11192	3.0
163.14833	1.9
165.12726	7.0
167.07088	1.8
167.08554	4.8
168.09396	2.1
169.10106	13.9
171.07990	1.8
171.11671	20.3
173.04506	9.4
173.05841	1.8
173.09677	1.9
173.13283	11.7
175.11140	2.3
175.14818	3.2
177.12781	4.3
179.08484	2.2
181.10107	7.3
182.10587	2.6
182.46172	2.1
183.11665	15.5
185.13301	13.2
187.14775	6.7
189.12744	2.8
193.10048	3.8
195.11647	7.5
195.13545	1.9
197.13240	11.0
199.11093	2.9
199.14789	6.6
207.11719	2.9
209.13249	4.8
211.14796	5.5
212.45087	1.8
213.12794	1.9
213.16353	4.3
223.14859	3.2
225.12503	2.1
225.16364	3.9
237.14061	3.8
241.19493	6.6
243.17563	1.9
243.20882	2.0
251.17694	1.9
253.19511	1.8
255.20973	2.0
257.19025	2.7
259.20599	9.7
261.22049	3.1
267.15823	6.0
269.17416	6.2
271.20490	3.2
283.20486	2.1
299.20215	1.8
301.14450	2.6
301.21539	3.2
309.22144	2.9
315.23181	4.0
323.23920	1.9
325.21765	2.4
327.23154	2.0
333.24280	4.1
335.25745	7.4
339.23010	3.5
345.24188	2.3
349.21222	3.4
351.23010	3.2
367.22348	4.9
369.24341	2.6
385.23495	2.8
387.25446	2.9
411.20053	2.5
413.21500	3.7
417.31528	3.4
435.32312	11.8
453.33554	4.7
471.34814	3.0
509.36191	9.0
525.35419	3.0
527.37286	100.0
528.37439	9.6
529.38507	2.8
531.41907	2.2
539.37195	2.9
543.36432	2.6
545.37933	6.3
551.37079	2.8
569.38544	3.2
608.29053	2.3
617.37866	1.9
625.29950	2.3
635.39264	5.9
639.24384	24.9
640.24622	6.5
653.40302	9.1
671.26776	3.7
671.41107	12.6
689.17084	5.0
689.42346	35.5
690.42548	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.93530	1.2
53.03940	9.1
55.01870	6.7
55.05509	23.9
56.00224	1.2
57.03434	12.1
57.07066	3.6
61.02913	8.8
65.03917	3.8
67.05498	60.9
69.03419	21.9
69.07061	18.2
69.63670	10.5
71.01332	2.3
71.04974	10.3
71.21246	1.4
73.02918	6.6
79.05480	42.8
81.03410	59.1
81.07049	71.8
83.04973	16.1
83.08609	11.5
85.02896	16.0
85.06548	3.3
87.04443	1.6
88.41413	1.4
91.03928	4.1
91.05468	40.0
93.07033	47.3
95.04964	9.5
95.08597	42.9
97.02884	27.4
97.06503	9.3
97.10156	6.2
99.04422	6.7
99.08086	2.9
101.02380	2.1
102.13207	1.2
103.05453	1.9
105.07020	42.9
105.07735	2.1
107.04958	4.9
107.08588	27.5
109.02872	7.9
109.06517	5.1
109.10133	12.2
111.04449	4.0
111.08057	5.0
115.05465	4.1
117.07024	17.8
119.08567	31.6
121.06501	2.8
121.10125	19.9
123.08031	4.4
123.11718	5.4
125.09630	4.3
127.03916	11.6
127.07572	2.3
128.06207	5.0
129.05498	7.1
129.06975	14.9
131.08549	32.3
133.06487	3.5
133.10110	17.7
135.08046	3.0
135.11685	12.0
137.09578	3.2
137.13232	2.3
141.06979	4.9
142.07751	3.3
143.08560	17.9
145.06456	2.0
145.10109	28.0
147.08009	2.9
147.11676	22.4
149.09628	3.1
149.13251	7.6
151.11160	2.7
153.07002	1.6
155.08519	13.0
156.09328	3.7
157.10114	21.5
159.08076	2.0
159.11673	22.4
161.09579	2.0
161.13235	7.5
165.06905	1.5
165.12746	6.6
167.08553	5.1
168.09352	1.6
169.10094	15.2
171.08012	2.8
171.11659	16.4
173.04425	10.5
173.09563	2.7
173.13268	12.4
175.11169	3.3
175.14821	4.8
177.12634	2.0
179.08562	2.8
181.10072	9.4
183.08061	2.2
183.11665	14.8
184.07309	3.0
185.13245	12.3
187.11203	3.3
187.14806	4.7
191.14307	1.4
193.10138	2.2
195.11661	8.1
195.13759	4.1
197.13245	11.5
199.11249	2.4
199.14798	5.6
201.12639	2.3
201.16353	2.5
207.11795	3.5
209.13272	4.2
211.11177	1.6
211.14809	6.3
213.16447	3.7
221.13284	4.0
223.14824	4.3
227.14252	1.6
227.18094	1.4
235.14781	3.5
237.12807	1.6
237.16432	2.1
239.17918	1.6
241.19531	4.4
243.21036	2.8
249.16507	1.9
253.19582	2.0
257.18958	2.2
259.20621	9.4
261.22150	5.2
265.19751	2.0
267.15884	7.0
269.17529	4.7
271.17480	1.5
271.20557	3.5
272.48700	1.4
277.19226	1.6
283.20535	2.6
285.16946	3.0
285.22275	1.7
289.21756	1.8
295.20612	3.1
297.21985	1.7
299.20026	3.1
301.21594	1.8
311.23743	2.2
323.23621	2.4
325.21777	1.7
333.24188	5.9
335.26056	6.7
337.16525	1.7
337.25134	1.9
339.23431	1.4
341.24323	1.5
349.21780	1.7
351.23077	3.3
353.24820	2.1
367.22513	2.2
385.23563	2.6
411.20142	2.2
413.21875	3.0
417.31470	4.8
433.31168	1.7
435.32681	12.5
453.33585	6.1
471.34637	2.7
503.37665	1.7
509.36282	6.5
517.38739	3.0
525.35107	3.1
527.37262	100.0
528.37451	4.8
529.38678	2.6
539.37195	2.4
543.35956	2.2
545.38214	8.6
551.36871	3.0
569.38519	2.5
623.39874	1.5
635.38757	4.6
653.40070	8.7
671.41266	10.2
689.17084	1.7
689.42426	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00275	1.6
51.02359	2.2
53.03935	11.9
55.01868	8.8
55.05505	28.9
56.76283	1.8
57.03438	11.4
57.07067	2.7
61.02912	7.0
65.03929	5.2
67.05498	70.9
69.03423	32.8
69.07059	20.0
71.01327	2.6
71.04987	10.9
73.02895	2.9
79.05022	3.4
79.05482	61.9
81.03408	100.0
81.07045	78.3
83.04980	23.9
83.08614	19.6
85.02895	17.6
85.06534	4.0
91.05467	56.6
92.05783	2.2
93.07036	63.1
95.04956	22.6
95.08591	47.3
95.18528	1.8
97.02869	30.1
97.06500	9.6
97.10146	6.7
98.21443	7.1
99.04459	10.0
99.08058	3.9
103.05502	2.3
105.04504	1.9
105.07023	47.4
107.04949	7.1
107.08586	35.9
109.02880	16.9
109.06513	7.6
109.10155	13.5
111.04424	9.5
111.08090	8.0
113.05999	2.6
115.05425	3.1
117.07005	21.6
119.08565	32.3
121.06526	5.6
121.10131	23.6
123.04422	2.4
123.08079	6.1
123.11714	9.8
125.05986	2.1
125.09612	2.6
127.03899	12.6
128.06216	4.8
129.05472	6.2
129.06964	16.2
131.08548	27.1
133.06468	3.5
133.10114	24.0
135.08063	4.7
135.11684	11.9
139.42046	2.0
141.07002	4.1
142.07784	3.5
143.08556	16.3
145.06569	2.1
145.10097	25.4
147.08018	4.5
147.11665	22.1
149.09613	4.8
149.13261	7.5
151.11121	2.0
153.85509	1.6
154.07742	1.9
155.08549	8.8
157.10094	17.9
159.11664	17.4
161.09625	3.6
161.13214	8.6
163.11191	4.4
165.07013	3.2
165.12759	10.8
167.08559	6.8
169.10132	11.9
171.08002	3.0
171.11667	12.9
173.04431	13.6
173.09680	1.9
173.13271	11.7
175.11208	7.2
175.14819	4.3
181.10126	4.3
181.12149	2.7
183.11694	7.4
185.13274	7.4
187.11256	2.4
187.14743	3.4
189.12718	2.4
191.10704	4.2
193.10287	3.6
193.12186	24.4
195.11783	5.5
195.13762	3.6
197.13268	9.3
199.06068	2.3
199.11212	2.6
199.14854	5.6
203.79927	1.8
207.11794	2.0
209.13336	5.4
211.13219	35.5
213.12807	2.2
213.16460	2.2
221.13385	2.8
223.14851	2.4
225.12648	2.8
225.16296	2.3
227.12613	2.6
229.14357	3.1
237.16284	2.7
241.19540	3.1
243.21230	2.0
243.39833	1.7
259.20654	5.3
261.22116	6.1
267.15915	9.5
269.17621	3.1
273.22025	1.8
283.20538	2.7
285.16998	5.2
291.19772	2.3
297.21915	2.0
301.21649	2.2
309.22241	2.7
313.21472	2.5
315.84985	2.0
323.23715	2.2
331.66278	2.1
333.24243	5.7
335.25827	14.6
341.24677	2.0
345.24228	2.0
351.23386	2.7
355.17587	4.9
369.24271	6.9
387.25348	2.2
403.24509	2.1
411.20349	3.0
413.21750	4.0
415.29324	1.9
417.31345	2.7
425.34061	2.4
435.32791	8.8
453.33667	6.0
461.29218	2.5
471.34741	3.2
509.36310	4.8
517.39148	2.9
523.98364	2.1
525.35553	2.1
527.37262	57.5
528.37830	3.3
529.38959	2.2
545.38422	9.9
635.39703	4.3
653.40625	5.9
654.41095	1.9
671.41364	8.4
672.41663	2.8
689.17761	3.9
689.42493	67.4
690.42932	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21064	1.5
53.03941	12.7
53.52575	1.6
54.83849	1.8
55.01862	7.8
55.05507	27.5
55.74914	1.8
57.03424	11.5
57.07063	5.6
61.99265	1.6
65.03933	5.8
67.05493	74.7
69.03421	38.2
69.07056	19.8
71.04976	8.3
79.05482	62.9
79.33472	1.8
81.03407	100.0
81.07043	72.7
83.04977	22.0
83.08606	27.3
85.02905	19.6
85.06525	4.5
85.10168	2.1
87.04474	3.9
89.06027	9.2
91.05467	67.3
92.05845	1.7
93.07032	68.5
94.07353	1.8
95.04956	39.0
95.05517	3.1
95.08585	42.6
95.09193	2.3
97.02880	20.3
97.06514	9.0
97.10169	8.9
97.10756	1.6
99.04446	6.2
99.08080	2.5
103.03901	1.9
105.04462	1.9
105.07014	43.3
105.07720	2.3
107.04949	10.0
107.08590	34.7
109.02864	14.1
109.06493	9.3
109.10136	14.1
111.04442	15.4
111.08054	11.8
115.05413	2.6
117.06995	16.2
119.08566	39.4
120.08919	2.0
121.06519	4.5
121.10118	27.6
123.04434	2.6
123.08062	3.7
123.11704	6.5
125.09648	5.3
127.03904	11.0
128.06180	3.8
129.06961	14.2
131.08533	28.6
133.06519	5.3
133.08603	2.5
133.10123	20.7
135.08081	4.1
135.11673	16.0
137.09595	4.2
138.48601	1.8
141.06989	2.4
142.07755	4.4
143.08556	5.7
145.06503	3.3
145.10075	16.0
147.08086	4.2
147.11678	23.8
149.09612	7.4
149.13269	5.9
151.11249	3.5
153.12781	4.1
155.08591	5.3
157.10098	15.2
159.08038	2.6
159.11668	11.2
161.09622	2.5
161.13293	4.4
163.11192	7.2
163.14903	2.7
165.12767	4.5
169.10126	3.2
171.11687	4.9
173.09641	3.6
173.13289	6.2
175.11168	17.6
175.14760	2.3
181.10149	2.0
181.12239	3.6
185.13222	3.5
191.10698	5.6
193.12216	54.7
195.11678	2.1
197.13318	2.4
211.11238	4.1
211.13264	82.4
212.13583	1.9
227.12833	7.3
229.14404	5.3
249.14990	2.7
259.20538	2.8
261.22180	5.9
267.15900	4.7
277.21506	2.9
280.01395	1.7
285.16806	9.6
289.21655	2.5
291.19562	1.8
301.21616	5.9
315.23306	3.7
335.25739	5.2
337.16486	2.5
351.23297	6.7
355.17456	10.6
369.24301	8.2
387.25299	5.8
405.26584	2.8
411.20190	3.0
443.28284	2.6
461.28915	3.4
525.42523	2.2
545.37891	4.6
653.40216	5.2
671.41638	6.5
689.17566	3.5
689.42456	71.4
690.42548	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	689.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60016	0.6
55.05513	0.8
65.85083	0.7
71.13587	0.7
96.71121	0.6
98.21546	1.5
120.08128	0.7
129.16492	0.6
138.28999	0.6
143.90549	0.7
229.75667	0.8
326.20648	0.7
345.09375	0.8
427.19092	1.1
436.17535	0.7
441.21100	1.3
445.20139	1.3
454.17941	0.9
455.18640	2.5
456.23773	1.1
457.24115	1.1
459.21912	4.5
460.22501	1.4
468.19449	1.3
469.19589	4.9
470.21274	2.3
471.21500	1.1
483.21732	18.5
484.22568	8.5
485.23007	3.8
497.23560	1.0
499.24902	1.4
511.24844	0.8
519.23688	0.9
533.25635	2.5
543.23779	1.2
556.25085	1.1
557.25360	2.4
565.54822	0.9
571.27509	1.0
587.26788	2.0
588.24231	0.8
592.26831	4.6
601.29254	0.9
616.26709	11.9
617.27472	6.1
629.31586	2.4
631.29248	1.3
689.33252	100.0
690.33630	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	689.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05474	0.2
57.03432	6.9
59.04998	0.2
59.95325	0.2
62.52979	0.2
68.99776	0.9
69.03399	0.7
69.33423	1.8
69.33841	0.9
81.03400	0.4
81.07044	0.3
83.04964	0.4
85.02864	0.4
86.09679	0.6
87.04444	0.3
91.05450	0.6
92.03397	0.2
93.07029	0.3
96.04485	0.3
97.02867	1.0
102.21979	0.3
103.05428	0.4
104.10716	0.6
107.01287	0.6
109.10170	0.3
115.05443	0.4
123.04351	0.3
124.99959	0.5
125.36457	0.3
128.06244	0.2
129.06969	0.5
131.04895	0.4
133.06471	0.8
137.02292	0.4
137.06004	1.2
139.03940	0.3
141.06956	1.3
142.07764	0.3
147.04425	0.3
151.03891	1.1
152.06157	0.4
153.01810	13.7
153.06996	0.9
154.02200	0.2
155.08548	3.7
155.64648	0.3
157.06503	0.4
163.03867	0.4
163.07570	0.4
164.00739	0.2
165.05688	0.4
165.06894	1.2
167.07068	0.3
167.08504	0.3
169.06458	0.4
170.07173	0.5
177.05501	0.6
179.03453	0.3
181.06442	1.7
181.10013	0.4
182.07140	0.3
183.08012	3.0
184.07321	2.9
185.05846	0.3
187.07503	0.3
189.06969	0.4
190.07718	0.3
191.06981	1.2
191.08556	0.6
192.07339	0.5
193.06407	0.5
193.10065	0.5
195.07965	0.3
197.05969	0.3
197.09509	0.3
198.06622	0.5
199.07397	0.3
202.07852	0.3
203.08522	0.4
205.06502	0.7
205.10095	0.8
206.07253	0.3
207.07985	0.3
209.05992	0.5
209.09543	0.7
210.06589	0.3
211.07544	2.1
212.16394	0.3
213.09090	0.3
215.08594	0.6
215.10646	2.5
218.07320	0.4
219.08006	1.1
221.05969	0.4
221.09572	0.5
223.07552	0.3
226.06067	0.3
227.06995	0.3
228.07750	0.5
231.08150	0.3
233.06053	0.5
233.09612	1.7
234.06766	0.4
235.07553	0.5
236.08308	0.4
237.05502	1.3
237.09047	1.0
238.06198	0.4
239.06830	0.5
239.52254	0.3
241.08331	0.4
243.08049	0.9
247.07539	0.9
249.09114	0.5
250.06332	1.4
251.06975	1.1
251.10793	0.5
255.06464	0.9
261.05624	1.4
261.09042	2.9
263.06851	1.2
264.07797	0.8
265.04803	0.4
265.08542	1.7
266.05719	5.2
267.06451	3.1
269.08041	0.3
271.07498	0.9
272.18457	0.4
273.09100	0.4
274.06238	0.5
275.06943	0.8
276.07635	0.4
277.08710	0.6
278.05695	3.0
278.09052	0.5
279.06491	5.1
279.10092	2.6
280.07187	0.6
281.04645	0.3
281.07947	0.6
283.09604	4.6
288.07779	0.4
289.05054	0.9
289.08475	5.1
290.05750	4.0
290.09045	0.6
291.06482	2.0
291.10114	1.0
292.04327	0.3
292.07306	1.6
292.10614	0.6
293.04471	1.1
293.08057	5.3
294.05481	0.3
294.08813	5.2
295.09613	8.6
296.10281	0.4
297.11148	0.6
299.06943	0.3
301.08597	0.3
302.05630	0.6
303.06564	4.1
304.07266	0.7
305.04459	0.5
305.07889	0.6
306.05173	1.4
306.08676	0.5
307.06241	0.6
307.09583	9.9
308.10287	0.3
309.07535	4.0
315.05051	0.2
316.07364	0.6
317.04651	0.3
317.08118	3.4
318.08795	2.3
319.05933	1.1
319.09616	3.7
320.06747	0.6
320.10336	1.2
321.07541	2.3
323.05612	0.4
329.04715	0.3
331.06036	0.5
334.04684	10.1
334.08057	0.4
335.05386	5.4
335.09131	8.9
336.05960	0.5
336.09738	1.1
339.12231	4.7
345.07318	2.6
346.08340	1.2
347.05402	3.1
347.09280	0.5
348.06247	5.5
349.06952	0.6
349.10699	1.1
351.05515	0.4
351.12234	7.7
352.09183	0.5
361.06915	0.5
362.07764	2.1
363.08588	100.0
364.08948	3.2
367.11725	32.7
368.12238	1.5
377.10156	10.0
378.10522	0.5
395.11212	64.0
396.11713	2.6
508.26999	0.3
557.16479	0.3
689.20917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.1
67.01905	0.3
68.99785	0.8
69.03395	0.6
69.25566	3.6
79.01828	0.4
82.94842	0.3
85.02882	0.5
86.09679	0.8
91.05459	0.5
94.57676	0.3
94.64520	0.4
95.82519	0.3
97.02836	0.6
98.21472	0.6
105.07061	0.3
115.05454	0.3
124.99957	0.7
125.02277	0.4
127.03883	0.4
133.06488	0.7
137.02287	0.4
137.05952	0.9
141.06967	1.1
142.07629	0.3
153.01807	10.8
153.06969	0.8
155.08519	3.0
158.07259	0.4
163.03912	0.4
165.01790	0.3
165.06981	0.7
167.08467	0.3
169.04951	0.4
169.06458	0.5
177.05479	0.5
179.03297	0.4
181.06442	1.5
183.08041	3.0
184.07295	2.7
185.07597	0.4
189.09081	0.5
191.08490	0.4
193.06497	0.5
193.10121	0.5
194.07353	0.3
195.07988	0.4
197.05917	0.5
198.06779	0.3
201.28268	0.3
205.06462	0.9
205.10083	0.3
209.06006	0.6
209.09549	0.8
210.06729	0.4
211.07510	1.8
215.08594	0.8
215.10660	1.8
218.07129	0.5
219.08009	0.9
221.05940	0.7
225.09161	0.4
228.07727	0.5
233.06055	0.5
233.09613	1.8
234.06813	0.7
237.05492	0.7
237.09084	1.2
239.06985	0.9
239.10556	0.5
243.08011	0.6
247.07516	0.9
248.04463	0.3
249.09084	0.8
250.06218	1.1
251.06927	0.9
253.08318	0.3
255.06409	0.8
261.05557	1.4
261.08957	2.1
263.06921	0.9
264.07840	0.8
265.05930	0.4
265.08545	2.8
266.05692	4.9
267.06479	2.9
269.07861	0.5
271.07553	1.0
274.06320	0.4
275.07025	0.7
276.07721	0.5
277.08450	0.6
278.05685	2.9
278.08667	0.5
279.06503	4.9
279.10129	2.4
281.08151	0.4
282.08807	0.6
283.09586	4.3
289.05374	0.6
289.08545	4.2
290.05670	4.2
291.06500	1.0
291.10159	0.9
292.07263	1.3
292.10535	0.6
293.04440	1.0
293.08063	4.8
294.08789	4.7
295.09641	6.7
297.11136	2.0
299.06995	0.4
302.05716	0.4
303.06482	2.9
304.07303	0.6
305.04526	0.5
305.08020	0.3
306.05124	1.2
306.08511	0.5
307.06143	0.8
307.09576	9.6
308.10098	0.6
309.07614	3.7
317.04633	0.5
317.08072	2.6
318.08759	2.2
319.05963	0.9
319.09589	3.3
320.06998	0.5
320.10446	1.0
321.07495	2.1
321.11032	0.6
327.06458	0.4
331.05615	0.4
334.04657	8.4
335.05392	4.4
335.09125	8.0
336.09793	0.9
339.12228	4.6
345.07413	2.5
346.08298	1.1
347.05383	2.8
348.06189	4.4
349.06808	0.9
349.10773	0.9
351.12241	7.5
352.08960	0.3
361.07172	0.5
362.07651	2.3
363.08578	100.0
364.08875	2.9
367.11716	32.7
368.11801	0.5
377.10162	10.7
395.11203	69.6
396.11584	1.7
689.19629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.6
67.05489	0.3
68.99791	1.1
69.03403	0.4
69.70663	1.3
69.71079	0.4
81.03399	0.3
83.04931	0.3
85.02867	0.4
86.09669	0.4
97.02880	1.2
105.06957	0.3
107.01277	0.5
115.05424	0.3
120.61362	0.2
124.99967	0.4
125.02296	0.5
129.06940	0.6
133.06474	0.4
137.02248	0.3
137.05934	0.7
141.06964	1.1
147.04376	0.3
152.06181	0.4
153.01805	12.1
153.06952	0.9
154.02251	0.3
154.07700	0.4
155.08540	3.8
157.10153	0.3
165.01744	0.3
165.06947	1.5
169.06415	0.3
170.07213	0.3
171.08075	0.3
177.05389	0.4
181.05011	0.3
181.06401	1.7
181.10234	0.2
182.06972	0.3
183.08049	2.7
184.07301	1.6
185.09407	0.3
189.09087	0.2
190.07678	0.3
191.08501	0.5
193.06416	0.5
193.10100	0.4
195.07979	0.5
197.05992	0.5
199.07550	0.3
202.07764	0.3
205.06451	0.7
205.10083	0.4
207.08075	0.3
208.05133	0.3
209.05962	0.5
209.09630	0.6
210.06773	0.4
211.07494	1.6
215.08499	0.8
215.10652	2.2
217.10081	0.3
218.07224	0.4
219.08043	1.3
221.05911	0.4
221.09509	0.4
222.06712	0.2
223.07396	0.3
225.05330	0.3
225.09000	0.3
226.06148	0.2
227.07007	0.3
228.07860	0.3
233.05891	0.3
233.09584	1.7
234.06642	0.4
235.07632	0.3
236.08357	0.3
237.05388	0.8
237.09088	1.3
238.06013	0.4
239.07014	0.5
243.08014	0.9
245.09624	0.4
247.07538	0.9
249.05444	0.4
249.08894	0.4
249.23737	0.2
250.06178	1.8
251.06982	1.3
251.10596	0.5
253.08353	0.3
254.05617	0.2
255.06476	0.8
257.05832	0.4
260.08362	0.4
261.05566	1.2
261.09048	2.5
262.06354	0.2
263.07040	0.8
263.10867	0.2
264.07666	1.0
265.08551	2.4
266.05685	5.1
267.06479	3.1
267.09653	0.4
267.10144	0.4
269.08145	0.4
271.07532	0.8
274.06143	0.4
275.06891	0.5
277.04996	0.2
277.08524	0.9
278.05695	2.7
279.03467	0.3
279.06479	5.2
279.10089	2.5
280.06979	0.5
281.08090	0.4
283.06531	0.2
283.09641	4.6
289.04959	0.9
289.08551	4.1
289.74069	0.2
290.05737	3.9
290.08865	0.4
291.06427	1.1
291.10062	1.1
292.07214	1.9
292.10483	0.3
293.04431	1.0
293.08014	4.9
294.08810	4.8
295.06268	0.5
295.09586	7.5
296.10095	0.3
297.11270	1.6
299.06949	0.5
301.08298	0.2
302.05734	0.6
303.06519	3.7
304.07159	0.4
305.04361	0.8
305.07999	0.7
306.05148	1.2
306.08435	0.4
307.06183	0.7
307.09583	10.0
308.10071	0.3
309.07565	3.5
310.04861	0.3
311.09314	0.3
317.04428	0.5
317.07965	3.0
318.08795	2.1
319.05978	1.0
319.09579	3.8
320.06638	0.7
320.10413	1.2
321.07593	2.2
321.11053	0.5
330.05173	0.2
331.05902	0.5
333.07443	0.4
334.04672	9.1
334.08118	0.4
335.05365	4.8
335.09113	8.3
336.09763	0.7
339.12219	4.8
345.07364	2.8
346.08215	0.9
347.05460	3.6
348.06238	4.7
349.06885	0.5
349.10730	0.7
351.12222	7.5
352.09009	0.4
352.12823	0.3
361.06973	0.3
362.07867	1.7
363.08572	100.0
364.04550	0.4
364.08871	3.7
367.11716	32.9
368.11984	1.2
377.10141	10.7
378.10373	0.3
395.11200	64.5
396.11551	1.6
557.16412	0.4
689.20361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64946	0.5
57.25705	0.5
58.89648	0.5
60.00285	0.5
62.01658	0.5
70.41333	0.5
70.41666	1.6
79.05450	0.6
88.35564	0.5
91.05460	0.8
100.09863	0.5
107.04947	0.5
121.06524	0.6
123.27691	0.5
133.02876	0.6
134.03596	0.5
135.04396	1.3
136.05206	0.5
137.05977	0.9
139.07550	0.6
147.04399	1.1
149.02310	0.5
149.05962	2.2
151.07521	3.4
153.05478	0.6
161.02351	0.6
163.03897	2.5
165.05527	1.1
167.07028	1.2
176.04654	0.7
177.05457	2.1
178.06210	4.7
179.03339	1.4
179.07033	2.6
181.08614	1.1
189.01788	1.2
191.03391	2.0
191.06998	4.9
192.07808	0.8
193.04985	2.3
195.06409	0.9
203.03366	0.7
205.04886	4.1
219.06435	0.6
221.04457	2.1
229.01237	1.1
236.06851	0.6
241.04901	1.0
255.02933	1.4
258.01611	1.2
259.02588	0.7
259.05960	0.6
269.04468	1.8
279.06323	0.6
284.06674	1.1
285.07507	1.4
287.05667	0.7
297.04050	0.9
297.07529	0.6
301.07153	1.1
311.05386	0.7
312.06238	3.0
313.06979	1.4
315.04956	3.4
317.04486	0.7
319.05969	1.1
329.06503	0.6
330.07422	1.4
331.06021	0.6
334.04788	0.8
335.05423	1.0
337.07108	0.7
344.08820	2.6
345.09656	1.6
347.05554	1.6
361.07083	1.1
363.04984	1.6
369.09842	0.6
374.04141	0.7
375.04980	2.8
377.06738	0.7
378.03616	1.1
379.08136	0.8
389.06693	1.4
391.04404	1.8
402.03546	1.6
403.04349	3.3
404.05002	1.1
405.06165	1.9
406.03107	0.8
407.08029	1.2
417.06213	0.8
418.06796	9.5
419.03326	0.7
419.08102	0.8
420.04773	1.8
421.05173	4.4
422.06097	0.8
432.07977	0.6
435.07333	2.5
436.07919	10.1
447.02945	2.9
450.09424	7.1
451.10406	2.7
461.04980	0.7
463.06558	1.5
465.07742	0.6
477.08112	6.2
563.06506	0.9
581.07159	1.0
601.13007	0.9
609.06219	0.9
611.11310	1.8
623.11597	1.7
624.09332	0.6
629.12701	1.1
639.11157	4.5
641.12872	1.4
654.13513	1.7
657.12573	3.3
659.17090	0.7
687.16956	100.0
688.17212	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	688.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32272	1.1
52.25155	1.0
53.03928	3.6
55.01864	2.4
55.05504	9.9
57.03432	6.2
57.07055	1.2
61.02909	1.5
67.05150	1.5
67.05493	22.8
68.99780	1.7
69.03419	2.0
69.07060	20.0
71.04984	2.1
71.60231	1.6
72.08148	1.8
79.05480	29.9
80.05750	1.0
81.03403	24.9
81.07043	21.3
82.07343	1.2
83.04961	6.8
83.08615	9.1
85.02891	8.2
85.06522	2.0
86.09711	1.3
91.04927	2.2
91.05460	28.1
93.07036	27.7
95.04955	13.6
95.08590	11.6
97.02885	3.6
97.06533	1.8
97.10152	2.7
105.04487	1.6
105.07012	19.0
106.07349	1.1
107.04927	4.6
107.08579	8.2
109.02871	2.8
109.06489	4.6
109.10142	4.8
111.08057	3.4
111.11706	4.9
113.05972	1.5
115.05474	1.3
117.07013	5.1
119.08556	11.5
120.08107	2.0
121.06461	3.0
121.10137	5.2
123.04414	3.7
123.08053	3.2
123.11676	1.2
125.06001	1.5
125.09628	1.5
129.06975	6.8
129.12766	7.6
131.08574	4.1
133.06516	1.8
133.10123	7.9
135.04399	2.1
135.11726	1.6
137.06013	1.4
137.09636	1.9
142.07736	1.6
143.08565	2.9
144.44910	1.2
145.10115	5.6
147.04419	1.6
147.08046	2.2
147.11662	15.7
149.02321	6.5
149.05966	2.7
149.09631	1.8
151.07545	1.4
151.11139	1.4
153.01802	1.7
157.10135	4.4
161.13257	3.8
163.02541	1.1
163.03929	3.1
164.04337	1.2
165.09090	2.7
165.12738	1.5
167.03391	2.5
167.07132	1.3
171.11633	7.6
175.11221	3.8
177.05417	2.9
178.06174	7.7
179.03415	1.3
179.06931	7.5
181.08696	1.5
189.12773	2.4
191.03300	1.2
191.07021	4.0
192.07466	1.7
193.08553	3.0
193.12209	10.8
205.04915	2.0
206.05383	1.6
207.13786	11.6
211.13272	11.4
225.14908	1.2
249.14885	1.2
251.79922	1.1
255.02791	1.5
257.07721	1.1
258.08096	1.1
267.15903	14.7
268.03436	1.4
269.04147	2.6
273.07458	1.1
281.17432	36.4
283.02686	1.2
283.05917	2.5
284.06580	2.1
285.03949	1.5
285.07471	3.9
285.16876	11.5
286.04666	2.1
286.07977	3.7
297.03961	2.0
298.04214	1.5
301.06924	2.7
312.06204	4.9
313.06754	8.9
314.04047	2.2
314.07510	3.3
315.04800	6.2
315.12311	3.1
316.05304	3.6
329.06314	3.5
330.07132	5.2
331.07794	2.5
332.08432	1.2
343.08167	1.7
344.08902	9.5
345.09424	13.8
346.09988	7.1
419.07245	1.4
422.05905	1.4
437.08176	2.0
451.10306	2.1
473.28949	32.7
473.35394	2.3
474.29309	1.8
478.08505	1.7
491.29980	34.1
492.30450	2.5
640.11108	2.3
658.12921	1.4
688.17285	100.0
689.17609	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71434	0.4
65.03955	0.4
68.99792	1.7
69.60908	2.6
69.61317	0.8
95.01321	1.0
103.05429	0.4
107.04926	3.6
121.02817	0.4
121.06506	0.9
123.00797	1.4
123.04403	0.8
134.03642	0.9
135.04414	2.1
135.08076	0.5
139.89030	0.4
147.04417	1.7
149.06007	1.6
150.03186	0.6
150.06714	0.5
151.07593	0.6
153.01801	5.5
161.06003	1.9
161.98508	0.5
162.06746	0.9
163.03891	8.9
165.01897	0.5
167.07037	1.7
169.01314	0.7
171.04375	0.5
175.03903	0.8
176.04697	0.6
177.05470	3.3
178.06226	29.5
179.03423	1.4
179.07016	0.9
181.04985	0.9
184.05106	0.6
185.06012	1.0
186.06680	0.6
187.03857	0.5
189.05501	0.6
190.06238	0.5
191.03445	1.9
191.06987	7.1
191.08492	0.6
192.07753	2.5
193.04976	0.7
193.08597	0.7
197.06006	0.7
198.06862	0.5
199.03928	0.5
199.07443	0.4
201.05440	0.5
203.03497	0.6
203.07056	0.9
205.04958	1.7
206.05772	1.2
212.04753	0.6
213.05438	3.0
215.03365	0.9
215.07002	1.0
216.04211	1.4
217.04974	0.7
217.08676	0.6
219.06465	1.0
221.07965	0.6
222.05284	0.7
225.05455	0.8
226.02750	0.5
227.03352	0.7
227.07005	1.2
229.04944	2.1
229.08603	0.8
230.05759	0.5
231.02829	0.9
231.06529	1.7
232.07382	0.5
233.08142	0.7
239.03276	0.8
239.07011	0.6
240.04135	0.9
241.04933	4.1
242.05765	0.8
243.02917	0.9
243.06560	1.2
244.03673	1.0
245.04431	0.8
245.08102	1.5
246.08864	0.6
251.03351	0.6
252.04224	0.7
253.04944	1.2
254.02121	1.1
255.02838	4.3
255.06476	1.7
256.03607	0.6
257.04529	1.1
257.08047	4.3
258.05334	1.7
259.06094	2.4
267.02893	0.5
268.03635	2.6
269.04410	6.8
270.01599	0.6
270.05301	1.8
271.02432	2.2
271.05948	1.1
272.06824	0.7
273.04434	0.6
273.07440	2.7
275.09146	0.6
281.04529	0.9
282.01602	0.8
282.05298	1.5
283.02423	2.0
283.06046	5.2
284.03455	0.6
284.06647	4.8
285.04016	3.4
285.07611	11.9
286.04675	2.4
287.05438	4.9
296.03210	0.8
297.03949	7.1
297.07483	1.2
298.01678	0.7
298.04642	3.1
299.02109	0.9
299.05533	2.9
299.08896	0.8
300.02695	2.1
300.06290	1.5
301.07053	8.4
311.05542	2.7
312.06219	15.6
313.03461	3.7
313.06924	21.4
314.04257	3.7
314.07584	0.8
315.04987	20.9
315.08545	2.9
316.05978	0.8
316.09595	1.5
325.07095	0.7
326.07700	1.0
327.08661	1.7
328.05832	1.7
329.06509	14.8
329.09656	0.8
330.07306	10.6
331.08072	1.9
343.08136	4.3
344.08856	50.2
345.09619	29.0
346.10074	0.8
627.07947	1.1
629.12671	0.9
639.12085	0.7
657.12177	3.9
672.14752	1.2
687.16968	100.0
688.17255	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	687.1691
Annotation	Podoverine C
Peak:m/z	Relative Intensity
56.22945	0.3
62.46845	0.3
71.16439	0.8
72.49967	0.3
79.05452	0.3
91.05489	0.5
92.44875	0.3
95.01314	0.3
103.05514	0.3
107.04956	1.2
120.02072	0.3
121.06512	0.6
123.00735	0.5
123.04424	0.5
124.78593	0.3
131.04912	0.4
134.03650	0.4
135.04416	1.3
136.05106	0.4
137.05974	1.2
138.06613	0.3
139.07536	0.6
147.04355	1.8
148.05243	0.4
149.05975	2.6
151.03957	0.4
151.07509	1.7
153.01817	1.2
153.05418	0.3
160.04944	0.4
161.06007	0.8
162.03169	0.5
162.06789	0.9
163.03874	5.3
164.04681	0.5
165.09271	0.3
167.07002	0.9
175.03877	0.5
176.04729	0.8
177.05449	3.2
178.06227	10.1
179.03329	2.4
179.07022	1.4
181.08585	0.8
185.05946	0.5
189.01874	0.3
190.06195	0.9
191.03360	5.9
191.06981	4.8
192.07782	1.0
193.04999	0.4
193.08626	0.5
194.09378	0.6
195.06552	1.1
205.04950	5.2
206.05733	2.2
207.02937	0.5
213.05370	0.8
215.06987	0.3
217.08505	0.4
219.06448	0.6
221.08136	0.6
222.05304	0.6
227.06981	0.4
229.04935	0.6
229.08621	0.4
231.06396	0.4
241.04968	1.4
242.05649	0.4
243.06587	0.6
245.07988	0.5
246.08810	0.4
255.02852	1.1
255.06648	0.6
256.07382	0.4
257.08102	1.3
258.05325	0.4
259.06088	0.7
268.03699	1.4
269.04514	2.1
269.07065	0.3
270.05286	0.4
273.07523	0.7
282.05231	0.4
283.02951	0.5
283.05942	2.3
284.03641	0.3
284.06647	1.4
285.04547	0.3
285.07578	4.1
286.04611	0.4
287.05545	0.9
296.03110	0.4
297.03961	1.9
298.04791	0.8
299.05530	0.6
300.02969	0.3
301.06918	1.7
311.05530	1.4
312.06241	5.8
313.06973	7.8
314.04230	1.0
314.07449	0.5
315.04980	5.6
315.08481	0.6
316.09369	0.8
325.07138	0.7
329.06619	3.9
330.07275	2.9
335.05444	0.4
339.04959	0.5
343.08224	0.7
344.08878	11.3
345.09653	5.1
347.05511	0.4
361.07193	0.4
363.04996	0.5
365.06744	0.4
375.04922	0.4
379.08276	0.5
391.04535	0.5
397.08847	0.5
403.04321	0.4
418.07040	1.0
419.03397	0.5
421.05591	1.4
433.05481	0.6
434.06219	0.4
435.07190	0.7
436.08121	0.5
437.05154	1.3
447.02838	1.5
449.08871	0.7
450.09473	1.3
451.10172	1.3
463.06766	1.2
466.08734	0.8
467.09607	3.1
477.08163	1.3
535.07025	0.4
551.09906	0.4
553.07745	0.5
567.13568	0.4
581.07153	0.6
583.12347	0.7
585.13586	0.7
591.05695	1.5
607.09271	0.7
609.06885	1.1
611.11627	1.7
621.10205	2.4
623.11530	1.1
625.09570	0.5
639.11218	5.6
641.13104	1.4
654.13538	1.1
655.13483	1.5
657.12427	1.4
669.15924	1.1
672.14734	0.4
687.16949	100.0
688.17310	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	687.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56121	0.3
55.01862	0.3
57.32765	0.3
60.43840	0.3
68.99790	0.9
70.84408	0.8
70.84752	0.4
87.42259	0.3
95.01314	0.7
100.97044	0.3
107.04954	1.3
121.06490	0.7
123.00804	0.8
123.04430	0.6
125.44988	0.3
131.47679	0.3
133.02884	0.4
134.48599	0.3
135.04405	1.2
144.05847	0.4
147.04437	0.8
149.02191	0.4
149.05969	0.5
150.06798	0.3
151.07521	0.4
153.01816	4.5
153.05522	0.5
161.02287	0.5
161.05984	1.0
162.06787	0.7
163.03896	4.7
164.04640	0.8
165.05414	0.4
167.07040	0.8
169.01251	0.5
171.04529	0.4
174.06711	0.4
176.04709	0.4
177.05455	2.4
178.06238	14.2
179.03386	0.8
179.06903	0.7
181.05014	0.6
185.05954	1.0
187.03897	0.4
191.03406	1.1
191.07028	4.9
192.07782	1.4
193.08606	0.9
193.28696	0.4
197.05928	0.5
198.06779	0.5
199.03949	0.5
201.05545	0.7
203.03389	0.5
203.07014	0.5
204.04181	0.4
204.07936	0.3
205.04959	1.3
206.05736	0.9
211.03845	0.5
213.05487	1.5
215.03493	0.7
215.07050	0.6
216.04199	1.1
219.06421	0.6
221.08235	0.4
227.03436	0.5
227.06989	0.7
228.04185	0.6
229.05048	1.3
229.08540	0.8
230.05611	0.7
231.02899	0.6
231.06589	0.9
234.89307	0.3
239.03441	0.8
239.07018	0.4
240.04269	0.8
241.04929	3.3
242.05692	0.8
243.02942	0.6
243.06511	1.0
244.03648	1.0
245.04626	0.5
253.04918	0.8
255.02864	2.6
255.06529	1.3
256.07370	0.6
257.04477	1.4
257.08115	2.6
258.05289	1.1
259.06140	1.6
267.02930	0.7
267.06519	0.5
268.03647	2.2
269.04446	4.4
270.05197	1.1
271.02441	1.8
271.06030	1.0
272.06671	0.5
273.04971	0.4
273.07535	1.7
274.04623	0.5
281.04468	0.7
282.05188	0.5
283.02411	1.3
283.06039	3.2
284.03558	0.6
284.06757	4.2
285.04031	2.4
285.07614	6.3
286.04745	1.5
287.05435	2.3
293.04785	0.3
295.05859	0.4
296.03336	0.6
296.06699	0.8
297.03958	4.2
297.07388	0.8
298.04651	2.7
299.01859	1.1
299.05548	2.3
299.08759	0.6
300.02679	1.1
300.06305	1.1
301.03735	0.5
301.07025	6.0
311.05423	2.4
312.06253	11.2
313.03485	3.1
313.07108	14.9
314.04214	3.3
314.07822	1.1
315.05020	13.3
315.08621	2.4
316.05566	0.8
316.09402	0.8
325.07193	0.5
326.07971	1.1
327.08685	1.4
328.05865	1.2
329.06534	10.7
330.07303	6.6
331.08087	2.3
343.08112	3.1
344.08865	31.1
345.09622	17.7
346.10001	0.6
359.07693	0.9
360.08142	0.6
611.11487	0.4
627.07758	1.6
629.12946	0.6
639.11426	0.8
641.12744	0.5
642.10120	0.4
657.12463	5.1
672.14545	1.4
687.16992	100.0
688.17261	6.7
688.28009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
54.20395	0.6
55.01857	1.1
55.05503	11.3
57.03169	1.0
57.03429	12.0
57.07056	1.8
59.04985	4.4
61.02910	3.8
65.03921	2.2
65.87080	0.7
67.05495	90.5
68.05810	0.7
68.62807	0.6
69.03420	1.6
69.07063	6.9
69.43605	5.2
69.44019	1.2
71.04978	3.6
71.08624	1.0
79.05479	16.9
81.03425	0.7
81.07043	32.4
83.08615	7.8
85.02878	4.1
85.06521	2.5
91.03934	1.7
91.05466	12.2
93.07031	20.8
95.04954	1.5
95.08594	25.2
97.02879	1.8
97.06491	1.4
97.10148	1.5
98.21507	1.3
99.08076	0.8
105.07008	5.7
107.08575	12.7
109.06511	0.9
109.10139	75.8
110.10471	1.5
111.08041	3.7
117.06998	1.7
119.08563	9.8
121.10119	10.5
123.08015	0.7
123.11709	3.8
125.09591	2.3
127.03824	0.7
131.08542	5.2
133.10088	4.6
135.08052	0.9
135.11673	6.8
137.09604	4.6
137.13264	1.4
139.11160	0.9
145.10054	4.1
147.11652	2.7
149.13261	3.3
155.10660	4.8
159.11661	3.9
161.13268	3.7
163.14786	2.4
173.11731	23.1
173.13223	2.9
175.14742	1.1
177.16298	0.8
187.14763	2.2
189.11171	0.9
189.16333	0.8
227.12753	3.7
229.14319	100.0
230.14595	2.2
241.23747	0.8
243.21033	5.6
261.22104	16.6
270.18121	0.7
296.27695	0.8
317.24612	2.6
335.25748	67.7
336.25995	1.7
397.31277	1.0
415.31958	1.3
489.35657	36.5
490.36121	2.9
507.36841	4.0
646.92615	0.7
673.47308	0.7
687.17139	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	684.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01859	1.2
55.05506	10.7
55.46853	0.9
55.95048	0.9
57.03434	5.5
60.41936	0.8
65.03915	2.6
67.05500	34.9
69.03407	1.6
69.07060	7.1
70.06571	1.0
70.59280	0.8
70.75430	2.0
70.75813	1.3
73.06516	1.0
79.05488	49.5
81.03413	5.8
81.07044	27.1
83.04963	9.2
83.08613	5.4
85.02859	1.1
85.06528	2.5
88.00858	0.9
91.05460	38.4
93.07033	47.0
95.04955	16.0
95.08596	18.4
97.02883	2.0
97.06504	3.2
97.10138	3.1
105.06337	1.9
105.07018	31.5
107.04945	4.6
107.07919	1.1
107.08584	12.1
107.19657	0.8
108.08839	0.9
109.06497	4.1
109.10132	4.5
111.08035	1.4
115.05471	1.0
116.38172	1.0
117.06992	7.2
119.08572	17.2
121.06492	2.4
121.10124	4.4
123.08057	4.1
123.11617	1.0
127.03918	1.3
128.06209	2.5
129.06984	13.5
131.08517	2.9
133.06462	1.4
133.10106	7.9
135.11595	1.4
143.08539	6.1
145.10115	8.8
147.08000	2.0
147.11671	26.7
161.09540	2.2
161.13266	7.5
163.11168	1.6
167.07013	1.1
171.11668	18.2
177.12714	1.1
187.14844	1.1
189.12718	8.6
207.13789	22.8
225.14833	2.6
263.16553	1.1
281.17450	49.1
282.17682	2.0
382.81445	0.9
447.06854	1.0
469.29495	2.6
487.30508	100.0
488.30862	6.3
547.24353	1.1
589.67163	1.1
684.27679	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	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05503	11.6
57.03432	13.8
57.07061	1.6
59.04983	3.2
61.02922	5.2
65.03922	2.5
67.05497	100.0
69.03428	1.8
69.07065	7.6
69.43790	7.5
71.04971	3.6
72.96449	0.7
73.02900	1.3
79.05483	19.3
79.95576	0.8
81.07047	38.9
83.04985	1.4
83.08611	8.1
83.22273	0.8
85.02894	4.5
85.06522	3.8
86.82024	0.8
91.03928	1.4
91.05466	15.6
93.07035	28.0
93.88081	0.8
95.04952	1.9
95.08597	26.5
97.02895	2.1
97.06490	0.9
97.10151	2.0
99.08069	0.9
105.07030	7.7
107.08587	14.3
109.06482	1.1
109.10144	73.8
110.10459	1.7
111.08074	3.9
117.06993	3.6
119.08556	11.5
121.10125	11.9
123.08051	0.9
123.11743	3.8
125.09546	1.0
127.03922	0.9
131.08562	5.2
133.10104	5.5
135.11681	6.9
137.09608	3.0
137.13194	1.1
145.04921	1.0
145.10088	3.5
147.11702	2.7
149.13229	4.6
155.10608	4.0
159.11668	2.7
161.13213	2.5
163.14813	2.4
166.73041	0.8
173.11763	20.7
173.13237	3.3
175.14777	0.9
177.16298	0.9
187.14703	1.9
189.11185	0.9
227.12810	3.9
229.14333	84.0
230.14574	1.9
233.22646	1.2
243.21115	5.1
261.22137	19.8
276.29211	0.9
317.24710	2.8
335.25766	79.8
336.26056	4.2
397.30878	1.5
489.35696	59.8
490.36221	4.5
507.36691	2.3
687.16467	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	683.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18180	0.1
71.63623	0.2
79.05488	0.2
81.07023	0.2
91.05478	0.3
93.07021	0.1
97.02874	0.3
97.06513	0.2
98.46745	0.1
102.03914	0.1
103.15025	0.1
105.07003	0.2
111.04411	0.2
117.03380	0.2
117.77015	0.1
121.02826	0.3
127.03970	0.2
137.05948	1.2
144.35985	0.1
145.02827	0.8
147.04378	0.4
149.02315	2.9
149.05994	0.2
151.07510	0.2
152.00984	0.1
153.05397	0.6
163.03922	0.2
164.04640	2.1
167.03365	14.0
168.03754	0.3
176.04778	0.2
177.05432	1.7
178.06126	0.2
179.06857	0.1
184.03752	0.1
193.04938	0.2
201.05418	0.2
213.05435	0.4
214.06299	0.2
217.04927	0.6
219.06462	1.6
227.03424	0.5
227.06935	0.2
228.04169	0.1
231.06494	0.5
241.04901	0.7
241.08614	0.1
242.05695	2.6
243.06174	0.2
245.04407	4.6
246.04906	0.1
253.04984	0.2
255.02895	0.4
255.06377	0.1
257.08066	0.3
259.05972	1.5
269.04474	0.4
270.05157	2.4
270.08090	0.1
271.05972	0.7
281.04184	0.2
283.02606	0.1
285.07489	1.7
287.05435	8.2
288.05795	0.5
289.10641	0.4
297.03964	0.4
298.04648	2.4
299.05328	0.9
300.02563	0.2
302.07886	0.2
313.06995	2.3
314.07394	0.1
315.04929	31.9
316.05264	1.3
317.10153	0.2
329.06656	0.2
330.07263	13.5
331.07568	0.5
345.09610	100.0
346.09940	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	684.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14737	0.5
53.03941	4.3
55.01860	4.1
55.05521	0.7
57.03413	1.9
57.08886	0.6
61.02896	1.4
63.79836	0.6
68.99779	1.5
69.03418	11.1
69.34244	7.0
71.05002	3.2
73.02905	2.9
78.04682	0.7
79.05479	4.7
80.12110	0.6
81.02949	1.2
81.03405	20.5
83.60412	0.6
85.02891	27.7
87.00812	10.5
87.04462	0.6
91.03925	1.1
91.05446	2.8
93.07052	0.7
94.04153	0.9
95.04951	1.5
97.02875	15.0
99.04447	6.2
102.21893	0.6
103.05444	3.0
105.01852	7.4
105.06996	1.7
107.04935	9.6
108.04433	2.5
109.02865	12.0
115.03947	0.7
115.05447	6.8
117.01842	1.7
117.07001	14.3
119.08527	1.4
123.04411	3.1
124.05173	2.2
125.05988	1.0
126.05497	0.7
127.03899	20.8
128.06189	1.2
129.01828	2.1
129.06987	2.9
130.04111	0.9
131.04913	1.5
131.08559	2.9
133.06451	1.0
135.04346	0.6
137.05952	1.1
141.06932	1.5
143.04892	0.8
144.05670	2.8
145.04944	7.1
145.06448	39.0
146.06825	1.0
147.02820	0.9
147.04407	0.9
147.07993	1.8
151.03889	1.4
152.04651	1.9
153.05440	0.6
155.05977	3.6
155.07071	0.6
156.05658	6.5
157.06482	1.8
159.01765	0.8
159.02893	7.1
159.08040	6.3
161.05962	3.3
161.17552	0.6
163.03864	0.9
167.07016	49.9
168.07413	1.2
172.05142	0.9
173.05962	61.1
174.06425	1.4
175.03830	0.7
175.07512	2.3
177.05428	1.7
179.06868	0.9
179.64023	0.7
181.04916	1.8
181.08496	0.7
184.05190	2.5
185.05757	0.7
186.06609	1.1
187.07516	6.8
190.06215	35.7
191.06808	1.9
191.08470	0.6
193.08507	1.8
195.06523	1.0
197.05965	0.7
202.06197	5.0
203.06984	5.7
203.08517	0.8
204.07666	1.0
205.08568	100.0
206.08896	3.5
207.06502	1.7
207.10052	0.8
208.05305	0.8
211.07416	0.8
215.07004	1.3
217.08572	44.4
218.09021	1.4
219.07991	1.7
219.10130	4.6
223.09612	2.6
231.04980	3.6
231.07925	1.0
233.09555	1.5
235.09598	29.0
236.07999	0.8
236.10112	0.8
247.07477	1.5
247.09691	7.8
248.07904	3.3
249.11227	1.2
254.05757	0.7
263.10620	1.4
264.07779	1.0
265.10693	35.0
266.11102	1.1
269.08047	2.5
271.09558	2.2
276.07697	1.6
277.08640	1.2
279.10138	1.2
281.08160	0.7
285.07660	0.8
290.09335	0.8
291.10114	2.3
293.08258	0.9
294.96484	0.6
299.09097	1.0
303.04950	2.6
307.09595	1.6
315.08533	8.2
316.08826	0.8
319.09885	0.8
323.12729	1.9
330.10934	13.5
331.11630	3.9
337.10663	1.1
339.12161	1.9
343.11749	1.8
351.12277	5.0
352.12836	0.9
368.12399	0.9
369.13181	1.9
371.14899	3.2
383.14838	15.0
384.15231	1.0
385.16376	0.8
401.15897	17.8
402.16354	1.5
445.13281	0.7
652.19763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91024	0.2
54.37040	0.3
61.82584	0.2
61.99357	0.2
63.02374	0.5
67.92745	0.3
69.03419	9.6
70.06560	0.3
70.84159	0.4
70.84562	0.6
79.05484	0.5
81.03403	0.4
81.07014	0.6
82.35612	0.2
88.46687	0.2
89.03898	3.5
91.05476	0.7
95.04982	0.4
97.02883	1.5
98.49609	0.2
99.04455	0.6
103.05446	0.3
107.08572	0.3
109.02884	0.5
117.03359	12.8
127.03895	4.0
134.03613	0.8
135.04391	1.0
137.05942	0.8
145.02823	41.4
146.03145	0.7
147.04408	0.4
149.05948	4.7
151.03856	0.3
153.01752	0.3
158.06023	0.4
161.05908	0.3
163.03879	0.6
166.49940	0.2
167.06967	0.3
175.07582	0.3
176.85583	0.2
177.05443	100.0
178.05814	1.5
184.02914	0.3
186.05505	1.0
187.07568	0.4
195.06465	0.8
205.04965	0.3
207.06487	0.3
215.06955	0.3
217.08492	0.3
233.07993	0.5
246.43623	0.3
255.02838	0.6
261.07501	1.1
287.05457	0.8
299.05334	0.5
303.08923	0.3
312.06046	0.3
315.04929	4.8
321.09647	9.0
330.07239	2.3
339.10703	10.4
345.09647	12.8
345.13895	0.6
549.35406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22968	0.1
57.03441	0.1
67.05475	0.2
69.03415	0.3
69.07037	0.2
75.93153	0.2
79.05487	0.1
81.07057	0.2
89.03880	0.3
91.05450	0.3
93.07024	0.3
97.02902	0.2
97.06483	0.3
98.21474	0.3
105.07033	0.2
107.04923	0.4
109.10163	0.3
117.03365	0.8
118.06513	0.2
119.04961	0.2
121.02930	0.1
123.04395	0.4
127.03869	0.2
135.04401	0.2
137.05904	0.2
137.09517	0.2
142.46289	0.1
145.02820	2.5
147.04346	1.0
148.04678	0.2
149.05948	0.3
151.03804	0.1
151.07576	0.1
153.01813	1.4
157.26231	0.1
159.11761	0.2
159.45964	0.1
161.02324	0.2
161.06006	0.1
163.03902	0.9
167.03412	0.2
167.07008	0.8
170.02106	0.3
177.05455	5.0
177.07007	0.3
178.02603	0.4
178.06218	3.6
179.03368	0.4
183.02960	0.2
203.03391	0.3
204.04199	0.3
213.05498	0.2
215.07286	0.2
216.04100	1.0
217.04959	0.5
221.08018	0.3
227.03275	0.3
227.07210	0.2
228.04181	0.4
230.15356	0.2
231.02820	0.3
231.06526	0.9
239.03288	0.1
239.18387	0.2
241.04936	0.8
243.06560	0.6
244.03654	0.9
245.04131	0.3
255.02831	6.6
256.03345	0.4
259.05954	1.5
269.04388	2.1
270.05133	0.2
271.06015	0.2
272.03195	0.4
281.04483	0.3
283.02332	1.6
283.05942	0.5
284.03125	0.6
284.06750	0.5
285.03714	0.3
285.07327	0.2
287.05460	7.7
288.05835	0.3
289.10822	0.2
292.18915	0.3
293.19449	0.2
297.03815	1.8
298.04608	0.4
299.05515	0.9
300.02640	3.1
300.05777	0.2
301.03107	0.2
301.07053	0.3
302.07755	0.4
311.05399	0.4
312.06308	1.2
313.07022	0.9
314.07727	0.2
315.04935	41.9
316.05304	2.1
321.09567	0.2
329.06635	1.0
330.07278	19.3
331.07587	1.1
339.10690	0.2
345.09622	100.0
346.09961	5.4
392.49872	0.2
665.18127	0.3
683.19373	0.6
683.38312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13992	0.1
55.05504	0.2
67.05499	0.2
69.03419	0.3
69.07066	0.3
71.63352	0.1
75.78392	0.1
77.03963	0.1
79.05486	0.5
79.64971	0.1
81.03412	0.6
81.07047	0.6
83.04946	0.2
85.02893	0.3
89.03892	0.7
91.05473	0.6
93.07047	0.4
95.04948	0.3
95.08581	0.2
95.67751	0.1
97.02883	0.4
97.06507	0.5
105.07021	0.4
107.04951	0.2
107.08578	0.3
109.02865	0.2
109.06505	0.2
109.10153	0.2
111.08083	0.2
115.05421	0.2
117.03371	2.3
119.04910	0.3
119.08568	0.4
121.06509	0.2
121.10152	0.2
123.04410	0.6
123.08064	0.2
126.03153	0.1
127.03905	0.2
131.04887	0.2
133.10075	0.2
134.03543	0.1
135.04399	0.4
137.05962	0.4
139.03938	0.2
139.07538	0.2
143.08553	0.1
144.09373	0.1
145.02827	5.2
147.04376	0.7
148.04924	0.1
149.05977	0.8
151.07526	0.3
153.01807	1.2
154.99799	0.1
161.02341	0.3
161.06018	0.3
163.03877	1.0
167.06995	1.0
170.02072	0.4
175.07481	0.1
177.05444	11.5
178.02608	0.3
178.06232	3.4
179.03416	0.4
183.02870	0.3
189.05537	0.1
199.13298	0.2
203.06975	0.2
204.04147	0.4
205.04919	0.3
213.05486	0.2
216.04083	1.1
217.04962	0.6
227.03452	0.4
228.03969	0.3
231.02928	0.4
231.06491	1.0
241.04976	0.8
243.06488	0.5
244.03664	0.8
245.04495	0.3
255.02843	6.3
256.03378	0.3
259.06012	1.7
269.04395	2.1
271.06064	0.3
272.03085	0.4
273.07413	0.2
281.04395	0.4
283.02325	1.6
283.05972	0.8
284.03134	0.5
284.06445	0.3
285.07452	0.2
286.04794	0.2
287.05453	7.2
288.05927	0.2
289.10727	0.2
297.03879	1.8
298.04590	0.2
299.05469	1.3
300.02600	2.5
301.03513	0.2
301.07089	0.4
311.05469	0.5
312.06226	1.1
313.07004	1.0
315.04941	42.6
316.05310	1.8
317.10355	0.2
321.09760	0.2
329.06534	1.1
330.07275	20.2
331.07645	0.8
345.09625	100.0
346.09967	3.9
507.14914	11.3
508.15051	0.6
665.17834	0.4
683.19647	2.0
683.30920	0.3
684.19391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98071	0.2
57.21587	0.2
57.71619	0.2
58.83797	0.2
69.03409	0.3
74.95879	0.2
89.03923	0.2
97.02877	0.4
117.03367	0.9
145.02808	2.7
149.06001	0.2
153.01782	1.0
161.06061	0.2
163.03932	0.6
167.07025	0.7
177.05450	6.1
178.02621	0.4
178.06226	2.7
204.04167	0.2
211.65376	0.2
214.28531	0.2
216.04167	0.8
217.04955	0.3
227.03442	0.3
228.04227	0.3
231.02980	0.2
231.06601	1.0
241.04900	0.6
243.06586	0.3
244.03613	0.7
249.22517	0.2
255.02861	5.1
255.56516	0.2
259.05988	1.2
269.04410	1.5
272.02945	0.3
281.04456	0.6
283.02316	1.2
283.05978	0.7
284.03302	0.3
284.06726	0.5
287.05475	5.4
297.03915	1.9
299.05521	1.0
300.02625	1.8
302.08099	0.2
312.06299	1.0
313.07043	0.9
314.07523	0.2
315.04953	36.1
316.05392	0.8
321.09457	0.3
329.06558	1.3
330.07294	18.9
331.07730	0.2
335.84052	0.2
339.10632	0.3
345.09637	100.0
346.09998	2.4
507.15359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	0.8
57.03430	1.7
59.04982	0.4
61.02918	0.5
67.05476	0.3
68.99786	1.0
69.03423	10.0
69.58630	1.8
70.06575	0.5
71.04985	0.6
73.02900	1.0
75.04491	0.2
76.77195	0.2
79.05486	0.3
81.03406	4.7
83.04948	0.4
84.08125	0.7
85.02894	8.4
85.87435	0.2
86.09696	0.3
87.00327	0.4
87.00819	4.6
87.04449	2.3
87.09203	0.2
91.03939	0.5
93.03385	0.3
95.04936	0.5
97.02881	9.2
97.06513	0.3
99.04443	1.7
103.03940	0.2
103.57475	0.2
105.01848	2.4
109.02164	0.3
109.02862	3.9
109.06388	0.2
111.00799	1.1
111.04406	0.3
111.54364	0.2
115.03909	2.0
117.01842	0.7
119.04947	0.3
121.02819	0.8
123.04411	0.9
125.02347	0.3
127.03894	6.4
128.49916	0.2
133.04944	1.1
137.02333	3.0
137.05984	0.5
139.03848	0.3
145.02919	0.3
145.04942	2.3
145.06180	0.3
147.02902	0.2
147.04364	0.4
149.02280	0.5
151.03894	0.3
153.01807	3.2
159.02878	3.5
161.06004	0.4
163.03903	0.5
165.01820	2.0
165.05505	0.2
167.07112	0.6
173.05919	0.4
177.04105	0.3
177.05482	1.0
178.06189	0.3
181.04837	0.3
183.02869	0.9
183.04358	0.4
189.03932	0.4
189.05470	0.3
190.02577	0.2
193.50500	0.2
195.02934	0.2
201.03854	1.0
201.05479	1.5
205.04977	0.5
213.03943	0.4
223.05936	0.3
229.04926	3.7
231.04988	3.3
241.07083	0.5
247.06007	0.7
249.05984	0.3
253.59805	0.3
257.04404	2.4
269.04483	0.4
273.38062	0.2
274.04651	0.7
275.05219	0.3
275.37018	0.2
285.03925	1.2
287.05551	0.4
299.05151	0.3
301.06964	0.6
303.04953	100.0
304.05255	3.4
315.04962	0.9
329.06561	2.0
344.08896	0.9
345.06006	1.0
345.09033	0.3
359.11209	4.2
369.06036	0.6
411.07108	0.5
417.15350	0.3
435.09213	0.9
533.09070	0.4
551.10315	0.5
572.34210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.2
53.03939	0.7
55.01871	0.5
57.03410	0.3
61.02916	0.2
63.02387	0.3
65.03934	1.9
67.05497	0.9
68.99792	0.2
69.03427	1.6
69.81620	0.6
69.82031	0.4
70.06601	0.2
71.04996	0.2
73.02892	0.4
81.03412	1.8
83.04965	0.2
85.02895	2.9
87.00819	1.5
89.03908	1.7
91.05439	0.3
93.03386	2.3
97.02880	24.7
97.06462	0.2
98.03222	0.3
99.04445	0.8
105.01846	1.1
109.02844	2.2
110.03658	0.2
111.04406	0.3
115.05423	0.2
117.03362	5.0
120.58685	0.2
121.02863	0.8
124.05166	0.2
125.02324	0.7
125.05984	0.6
127.03898	100.0
128.04237	1.3
128.06192	0.6
129.06976	1.8
133.06430	0.2
134.03600	0.5
135.04391	0.2
137.05977	0.4
139.03893	0.4
141.06950	0.8
145.02829	15.1
145.04884	1.0
146.03157	0.3
147.04350	0.2
147.47975	0.2
149.02307	2.1
149.05965	1.8
151.03882	0.8
153.05396	0.2
157.06491	2.4
159.02888	1.3
160.54797	0.2
161.06026	0.2
163.03896	0.2
163.07545	0.2
167.03392	11.7
167.04831	1.1
169.06401	1.0
173.05914	0.2
174.06764	0.4
175.07536	0.2
177.05447	27.8
178.05827	0.3
185.05956	0.7
186.05493	0.2
187.07538	0.4
188.08246	0.7
189.05542	0.4
189.09081	2.4
191.06943	0.2
199.07533	2.1
201.09059	0.2
207.06456	0.7
213.05489	0.4
215.07002	0.4
217.08578	2.0
227.07002	1.8
231.04916	0.5
245.08064	5.1
255.06403	0.4
261.07449	0.3
273.07538	0.9
291.08588	7.6
292.08804	0.2
305.10947	0.2
309.09610	1.3
315.04791	0.4
315.13306	0.2
330.07281	0.5
345.09628	1.7
346.09686	0.2
375.09164	5.5
376.09366	0.2
389.12155	0.2
425.10263	0.3
491.09399	0.8
519.99695	0.2
619.71246	0.2
655.41400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31416	0.3
55.01872	0.4
55.05519	0.4
57.03445	0.3
63.02357	0.4
65.03944	0.6
67.05505	0.5
69.03410	2.8
69.07068	0.3
70.78692	0.8
70.79045	0.3
73.02887	0.3
79.05492	0.6
81.03434	0.7
81.07051	0.6
83.04974	0.6
85.02897	1.2
87.00832	0.5
89.03906	4.3
91.05470	2.8
91.05985	0.4
93.03359	0.3
93.07040	0.6
95.04952	0.4
95.08615	0.3
96.91908	0.3
97.02878	13.4
97.06516	0.6
103.05505	0.4
105.07005	0.6
107.04951	0.4
107.08651	0.3
109.02873	0.9
109.10103	0.4
111.04438	0.7
114.05508	0.3
117.03362	15.3
118.03647	0.5
118.06528	1.1
119.04911	0.3
121.02757	0.4
121.06558	0.3
124.05180	0.3
125.02395	0.4
125.05945	0.3
127.03902	1.1
129.07011	0.5
131.04974	0.3
133.06438	0.4
134.03632	1.1
135.04414	1.5
137.05998	0.4
142.24077	0.3
145.02826	43.7
145.10063	0.3
146.03149	1.4
147.04376	1.0
149.02299	0.8
149.05959	6.0
150.06255	0.3
151.03833	0.5
153.01782	0.8
157.06459	0.5
158.21449	0.3
161.05977	0.4
162.09071	1.3
163.03896	0.6
167.03401	3.9
175.07535	0.7
177.05444	100.0
178.05786	4.2
185.05823	0.4
186.05489	1.6
188.30769	0.3
189.05458	4.1
189.09023	0.6
191.07076	0.3
199.07536	0.9
200.04472	0.4
207.06499	0.7
213.05449	0.4
215.06996	1.2
217.08531	0.6
227.06931	1.0
230.15382	2.2
245.04430	0.3
245.08090	1.3
255.02904	0.7
255.06496	0.6
267.10144	0.6
269.04404	0.5
273.07550	2.8
281.04120	0.3
283.05975	0.7
284.06720	0.3
285.07385	0.4
287.05377	0.7
291.08572	4.3
292.19034	4.9
297.03821	0.5
299.05331	0.5
301.06992	0.4
309.09872	1.4
311.05353	0.8
312.06161	0.8
313.78537	0.3
315.04959	3.1
321.09610	1.2
325.08945	0.4
329.06577	0.5
330.07214	1.4
339.10577	0.7
345.09644	16.9
370.17578	0.4
425.10596	0.5
510.26514	0.8
520.32153	0.4
539.13892	0.3
557.14880	1.7
682.18756	0.5
682.37921	7.2
700.92633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71012	3.1
54.91049	2.8
55.01868	3.3
55.05507	23.3
57.03422	3.7
57.07063	12.9
67.05496	12.4
68.86596	3.0
69.07061	31.5
71.08622	5.0
71.13523	8.7
79.05484	15.2
81.07043	18.7
83.08616	27.1
85.10149	4.3
91.05472	25.1
92.70172	2.8
93.07034	14.3
95.08597	14.2
97.10154	14.0
105.07025	24.3
107.08576	11.9
109.10136	5.4
111.11722	4.3
112.04391	2.7
112.90910	2.9
112.99992	30.8
117.07010	9.8
119.08566	27.6
121.10128	8.8
129.06996	8.3
131.08560	17.7
133.10109	21.8
134.21928	3.9
135.11688	7.0
141.05231	3.0
143.08574	8.6
145.10120	11.5
147.11655	21.9
149.13300	6.8
157.10115	6.1
159.11656	11.5
160.73975	3.3
161.13286	20.7
169.02600	11.1
171.11688	10.9
173.13239	10.1
175.14836	12.1
185.13177	6.9
187.14877	4.4
199.14804	4.4
215.17949	6.7
217.19528	7.3
241.19479	37.9
257.19009	7.1
259.20520	29.6
265.84167	3.4
311.25766	45.2
313.21588	9.0
313.27390	8.1
315.23148	13.7
333.24377	7.1
427.22415	4.3
495.41812	3.0
564.69983	3.2
569.45612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31416	0.3
55.01872	0.4
55.05519	0.4
57.03445	0.3
63.02357	0.4
65.03944	0.6
67.05505	0.5
69.03410	2.8
69.07068	0.3
70.78692	0.8
70.79045	0.3
73.02887	0.3
79.05492	0.6
81.03434	0.7
81.07051	0.6
83.04974	0.6
85.02897	1.2
87.00832	0.5
89.03906	4.3
91.05470	2.8
91.05985	0.4
93.03359	0.3
93.07040	0.6
95.04952	0.4
95.08615	0.3
96.91908	0.3
97.02878	13.4
97.06516	0.6
103.05505	0.4
105.07005	0.6
107.04951	0.4
107.08651	0.3
109.02873	0.9
109.10103	0.4
111.04438	0.7
114.05508	0.3
117.03362	15.3
118.03647	0.5
118.06528	1.1
119.04911	0.3
121.02757	0.4
121.06558	0.3
124.05180	0.3
125.02395	0.4
125.05945	0.3
127.03902	1.1
129.07011	0.5
131.04974	0.3
133.06438	0.4
134.03632	1.1
135.04414	1.5
137.05998	0.4
142.24077	0.3
145.02826	43.7
145.10063	0.3
146.03149	1.4
147.04376	1.0
149.02299	0.8
149.05959	6.0
150.06255	0.3
151.03833	0.5
153.01782	0.8
157.06459	0.5
158.21449	0.3
161.05977	0.4
162.09071	1.3
163.03896	0.6
167.03401	3.9
175.07535	0.7
177.05444	100.0
178.05786	4.2
185.05823	0.4
186.05489	1.6
188.30769	0.3
189.05458	4.1
189.09023	0.6
191.07076	0.3
199.07536	0.9
200.04472	0.4
207.06499	0.7
213.05449	0.4
215.06996	1.2
217.08531	0.6
227.06931	1.0
230.15382	2.2
245.04430	0.3
245.08090	1.3
255.02904	0.7
255.06496	0.6
267.10144	0.6
269.04404	0.5
273.07550	2.8
281.04120	0.3
283.05975	0.7
284.06720	0.3
285.07385	0.4
287.05377	0.7
291.08572	4.3
292.19034	4.9
297.03821	0.5
299.05331	0.5
301.06992	0.4
309.09872	1.4
311.05353	0.8
312.06161	0.8
313.78537	0.3
315.04959	3.1
321.09610	1.2
325.08945	0.4
329.06577	0.5
330.07214	1.4
339.10577	0.7
345.09644	16.9
370.17578	0.4
425.10596	0.5
510.26514	0.8
520.32153	0.4
539.13892	0.3
557.14880	1.7
682.18756	0.5
682.37921	7.2
700.92633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41909	1.2
50.51595	1.3
53.03938	1.6
55.01856	2.5
55.05501	3.0
57.03419	2.0
65.03938	6.6
67.05498	5.9
68.99727	1.2
69.03431	14.7
69.07060	1.9
70.06581	2.1
71.58414	1.3
71.58794	1.9
79.05482	5.3
80.24807	1.2
80.32230	1.2
81.03408	4.8
81.07040	6.5
83.04964	3.8
83.08625	2.8
85.02878	7.0
87.04491	1.9
89.03912	5.2
89.25783	1.1
91.05461	8.8
93.03398	4.8
93.07040	5.3
94.06573	1.3
95.04942	3.7
95.08574	3.0
96.08123	2.9
97.02883	96.2
97.06503	5.3
103.05453	2.3
105.07022	4.7
107.04937	4.7
107.08573	4.2
108.08085	2.3
108.63223	1.3
109.02858	2.6
109.06497	4.2
109.10168	2.2
110.09669	4.1
111.04441	2.6
115.03921	3.3
117.03371	15.7
117.07018	1.6
119.04948	8.5
119.08557	3.7
120.08094	3.9
121.02853	2.3
121.06506	1.4
121.10133	4.0
123.04413	1.4
124.99928	1.3
125.02318	1.9
125.05959	2.5
127.03901	14.4
128.06252	2.5
129.06985	6.1
129.59760	1.4
131.04890	2.5
131.08533	2.5
133.10095	17.5
134.03647	1.8
135.04404	2.5
135.08035	2.8
137.02361	1.5
137.05949	3.5
137.09570	11.3
138.09145	4.9
139.09453	2.0
141.06900	2.2
145.02824	45.1
145.06517	1.3
145.10098	2.6
147.03195	1.9
147.04388	37.6
147.11690	2.2
148.04787	2.7
148.65254	1.3
149.02307	7.6
149.05934	8.7
149.13264	2.9
151.03922	2.6
151.11172	2.4
153.05531	2.8
157.06494	5.8
159.08156	1.8
160.05183	1.5
161.05949	2.9
163.03883	3.0
165.05426	1.5
166.08669	4.1
167.03394	39.9
167.04831	2.7
167.07043	19.6
169.06480	2.5
173.06015	2.6
173.13181	1.3
175.03839	2.7
177.05446	100.0
178.06108	2.5
181.06395	2.0
184.07239	2.7
185.05969	3.3
186.05542	1.9
187.07513	2.9
187.11134	1.3
189.05524	2.1
189.09050	6.6
190.93025	1.3
191.03336	1.5
191.07011	3.4
191.14281	9.2
193.12164	2.4
195.06465	1.9
199.07545	4.6
201.05429	16.3
207.06471	3.9
209.15308	2.6
213.05490	8.1
215.06924	2.2
217.08611	6.4
219.06430	1.9
227.07051	5.0
231.06476	11.0
235.07578	3.7
245.08037	10.8
247.07434	3.0
257.04456	2.3
263.07025	2.8
265.04919	1.4
265.08551	2.1
267.10370	1.4
267.15988	2.2
269.08054	4.4
269.12775	1.9
270.05325	1.6
273.07501	5.2
275.07047	1.8
283.05835	1.5
285.07462	6.6
287.05490	2.1
291.08621	33.6
292.07275	1.8
293.08081	1.4
295.09610	2.9
297.12354	1.9
299.05591	1.6
303.06396	4.2
305.04370	1.8
307.09665	3.0
308.06793	1.7
309.09637	4.5
315.04965	7.4
316.05453	3.3
320.06723	2.6
323.08777	1.8
329.10095	2.7
330.07245	2.5
331.07773	2.6
335.09103	7.8
337.10797	2.2
345.09637	14.6
346.09946	5.4
347.10339	3.0
355.11697	29.7
365.10294	1.4
367.07629	1.9
367.11725	18.5
373.12802	2.2
385.12930	3.5
395.14633	2.8
396.15103	2.1
417.16272	1.5
418.16953	2.2
447.17255	2.8
448.17496	3.7
499.15851	2.4
514.21259	1.7
517.16577	3.9
529.17090	2.4
547.18042	1.5
576.60266	1.4
601.16516	2.0
601.25342	4.6
619.27026	2.6
629.24786	3.2
643.26709	2.2
647.26422	9.4
661.17755	16.0
661.28375	3.6
679.17664	10.1
679.29590	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	679.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	0.5
65.03948	0.4
67.05514	0.7
68.99785	1.5
69.03434	2.1
69.07061	0.5
70.06554	0.4
70.28095	1.3
71.01359	0.6
71.04997	0.4
79.05467	0.9
81.03423	2.5
81.07062	1.0
82.09296	0.3
85.02878	0.8
85.86010	0.4
87.00838	0.5
89.03902	6.4
91.05476	1.7
93.03428	0.4
93.07038	0.9
94.06542	0.4
95.04961	1.0
95.07332	0.4
95.08607	0.7
96.08151	0.6
97.02877	3.3
97.06493	0.8
99.04434	0.4
101.57999	0.3
103.05454	0.5
105.03352	0.5
105.07027	0.6
107.04903	0.6
107.08569	0.6
108.08101	0.4
109.02859	5.8
109.06503	1.4
109.10147	0.4
110.09666	1.1
117.03360	20.2
117.07037	0.6
118.03691	0.6
119.04929	2.5
119.08584	0.7
120.08079	0.6
121.10105	0.7
127.03884	1.8
128.06233	0.8
129.01820	1.7
129.06990	1.2
130.60193	0.4
131.04916	1.2
133.10088	0.6
134.03641	1.3
135.04370	1.8
136.07539	0.7
137.02344	0.7
137.05975	2.2
138.09099	0.9
141.06999	1.1
143.08572	0.8
144.05713	0.7
145.02824	62.5
146.03178	1.6
147.02847	0.8
147.04387	5.7
149.05959	7.1
151.03865	0.9
153.06963	0.8
155.04883	0.6
157.06470	2.3
159.04401	0.7
159.08025	0.4
163.03876	1.0
166.08653	0.8
167.03378	0.8
167.07039	0.6
167.08939	0.8
169.06450	1.0
171.04443	0.5
171.08022	1.3
172.05092	0.9
173.05913	0.8
174.06792	0.9
175.03899	0.8
175.07573	0.6
177.05440	100.0
178.05824	3.4
181.06458	0.5
183.04373	0.9
184.05194	0.5
185.05948	1.3
186.05478	1.7
187.07466	2.1
189.05443	1.1
189.09061	0.7
191.03290	0.5
191.06981	0.8
195.06505	0.7
197.05971	1.0
198.06787	0.4
199.07516	3.2
201.05414	2.4
205.04904	0.5
207.06496	0.7
209.05951	0.6
211.07536	1.1
213.05568	0.4
215.06985	5.5
217.04956	0.5
217.08522	2.0
225.05487	0.5
227.06926	1.0
228.04074	0.6
229.05016	0.4
229.08701	0.6
231.06451	2.1
233.07994	4.2
234.06534	0.4
237.05371	0.5
239.06993	1.0
242.05870	0.5
243.06502	3.1
245.08049	0.7
251.87047	0.4
255.06482	16.9
256.06830	0.6
257.08075	2.9
261.07535	30.7
262.07797	1.4
285.07529	6.7
287.05582	0.4
291.08517	1.2
303.08603	7.3
315.04819	1.0
321.09647	0.7
331.07962	0.4
345.09671	2.1
347.10101	0.6
355.08099	0.9
370.10577	0.6
385.12619	1.6
389.08649	0.8
407.04913	0.4
407.09729	3.8
416.15527	0.4
425.05582	0.5
425.10770	8.7
426.10983	0.4
448.17770	1.0
583.24011	0.7
601.25220	0.6
619.26978	0.4
647.25238	1.2
661.17157	3.9
661.28351	0.8
679.18140	3.1
679.29303	1.5
679.49463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55469	0.2
53.03915	0.5
53.30160	0.3
55.01849	0.8
55.05473	0.7
57.03407	0.4
60.26085	0.3
61.02887	0.9
63.02350	0.3
67.05495	2.0
68.11178	0.3
68.99773	1.6
69.03423	1.9
69.07024	1.2
70.00692	1.4
71.01330	0.7
71.04951	0.4
73.06519	0.3
79.05485	1.9
80.53480	0.3
81.03412	2.6
81.07037	1.7
83.04946	0.9
85.02895	0.7
87.00810	0.4
89.03899	5.9
89.34061	0.3
91.04996	0.3
91.05470	2.5
93.07010	1.2
95.04917	1.1
95.08578	0.7
95.44607	0.3
97.02841	0.8
97.06484	1.1
98.20819	0.4
99.04398	0.5
99.08047	0.3
103.05433	1.2
105.03358	0.4
105.07015	1.6
107.04905	1.0
107.08575	0.9
109.02866	4.8
109.06479	0.6
109.10127	0.6
115.05417	1.9
117.03355	20.3
117.06972	0.6
119.04913	0.6
119.08558	0.9
121.06465	0.9
121.10126	0.7
123.04391	0.5
123.08021	0.3
124.05158	0.3
127.03870	1.1
128.06187	1.0
129.01802	1.7
129.06970	1.4
131.04892	1.3
131.08513	1.0
133.06441	1.0
133.10077	0.9
134.03589	1.5
135.04413	2.0
135.11659	0.3
137.05925	1.6
141.06949	1.0
143.04880	0.5
143.08536	0.7
144.05663	0.8
145.02820	62.0
145.06448	1.6
145.10100	0.4
146.03152	1.5
147.02844	0.9
147.04388	1.7
147.11661	0.4
149.05959	7.7
151.03844	0.7
151.07500	0.5
152.06161	0.6
153.01851	0.8
153.06960	0.8
155.04919	1.0
156.05634	0.7
157.06480	2.0
157.10063	0.5
158.05975	0.5
159.04442	0.3
159.08022	0.4
160.05202	0.7
161.05954	4.0
162.03159	0.4
163.03885	1.6
163.07512	0.4
165.06934	0.5
167.08531	0.6
168.05582	0.3
169.06448	0.9
171.08029	0.8
172.05168	0.8
173.05954	1.5
174.06674	1.4
175.03891	2.6
175.07509	1.0
175.11107	0.7
176.04707	0.8
176.08311	0.7
177.05437	100.0
178.05968	3.2
179.03310	0.5
181.06462	0.8
183.04391	0.9
183.08034	0.5
184.05032	0.4
185.05891	0.9
186.05432	3.2
187.03925	1.0
187.07481	2.4
189.05466	1.4
189.09073	0.5
191.06967	1.4
193.04979	0.4
195.06456	0.6
195.08089	1.0
197.05992	1.1
198.06706	0.7
199.07515	2.7
200.04666	0.9
201.05435	2.4
203.03419	0.9
204.04204	0.3
205.04843	0.5
205.08400	0.4
207.06480	0.5
209.06020	0.4
211.03813	0.7
211.07562	1.0
213.03810	0.8
213.05540	0.6
213.08916	0.7
215.07001	6.0
216.04214	0.4
217.04932	0.8
217.08548	2.2
219.06456	0.7
223.07512	0.5
225.05440	0.8
227.06949	0.6
228.04147	0.6
229.04926	0.5
229.08600	1.0
231.02927	0.3
231.06645	1.5
233.08035	3.8
239.06982	0.9
241.04884	0.5
241.08589	1.1
242.05649	0.6
243.06493	4.5
245.08084	0.8
253.05029	0.4
255.02951	1.1
255.06480	14.0
256.06894	0.8
257.04401	0.7
257.08020	3.6
259.09940	0.3
261.07544	32.3
262.07916	1.0
263.05429	3.6
267.06332	0.6
267.15918	1.0
269.04315	0.6
269.08142	0.5
269.17459	0.5
270.05093	0.4
283.02283	0.4
283.05881	0.6
284.06854	0.8
285.07547	7.0
287.05478	1.4
293.08325	0.4
296.06824	0.4
297.04117	0.6
297.07474	0.5
303.08578	8.0
309.07391	0.3
311.05646	0.4
312.06323	0.9
313.06964	0.6
314.07709	0.6
315.05002	6.2
315.08450	0.7
316.05362	0.7
317.05615	0.6
321.09756	0.6
328.09369	0.6
329.06525	0.4
330.07224	2.8
339.08615	0.4
341.10266	0.3
343.08115	0.8
344.08951	0.8
345.09613	6.3
346.09897	1.4
347.10181	1.3
353.06534	0.6
355.07779	0.3
367.08054	1.3
369.09375	2.2
377.13669	0.4
382.10141	0.5
383.11505	0.4
384.11911	0.5
389.08679	0.6
395.15182	0.4
397.12827	1.6
399.14297	0.7
404.04938	0.3
407.09552	4.0
408.10382	0.3
425.10699	8.6
426.11234	0.4
550.29272	0.6
629.16089	1.8
631.13147	0.4
647.17395	3.6
661.19061	13.0
661.29108	0.5
662.18585	0.5
679.20135	16.5
679.31976	1.2
680.20245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15229	0.9
53.03939	2.6
55.01853	1.7
55.05275	1.0
55.05507	13.0
57.03423	7.8
57.07061	4.1
60.40422	0.9
61.02619	1.2
61.02921	18.3
65.03935	1.6
67.05496	74.5
69.03426	4.6
69.07056	13.2
71.04969	3.6
73.02912	6.0
75.04460	1.5
79.05021	2.0
79.05484	42.8
81.03389	3.6
81.07046	90.2
82.07388	1.5
83.04966	2.2
83.08609	8.0
85.02893	21.8
85.06532	2.8
91.03944	16.9
91.05468	25.7
93.07032	61.9
95.04958	6.4
95.08595	71.9
96.08940	1.6
97.02871	9.8
97.06516	4.2
97.10158	4.4
98.20698	2.9
99.04442	2.2
99.08089	3.5
105.07016	20.3
107.04913	1.1
107.08580	40.4
109.06496	2.5
109.10142	39.5
111.08077	1.7
115.03888	1.3
117.07001	9.4
119.08559	17.7
121.09261	2.4
121.10130	38.4
123.08061	2.0
123.11698	20.9
125.09623	2.6
127.03906	6.0
129.05463	1.2
131.08559	21.8
133.10098	15.4
135.08093	1.0
135.11671	27.6
137.09654	1.2
137.13217	7.6
139.11108	2.3
145.02818	0.9
145.04948	9.5
145.10097	17.1
147.11678	13.2
149.09622	2.0
149.13240	23.0
149.89693	1.1
151.11153	2.3
151.14799	2.2
153.12701	1.8
159.11673	17.8
161.13231	10.6
163.05998	10.1
163.14801	18.7
165.12735	2.7
165.99495	1.1
173.13239	15.7
175.14833	3.8
177.12721	2.1
177.16354	5.3
179.14322	2.3
187.14806	10.5
189.16365	2.2
191.14253	1.8
201.16383	4.4
205.15936	2.2
215.17818	1.6
219.17334	1.3
233.22652	3.4
243.21046	35.6
244.21443	1.1
261.22110	100.0
262.22449	3.0
263.23462	1.1
269.15204	1.1
274.71106	1.2
279.23163	5.8
315.05045	1.2
317.24823	1.3
335.25748	32.8
336.26337	1.8
345.09488	2.1
353.26819	30.4
354.27115	1.7
369.24023	1.8
396.82599	1.1
431.12256	1.6
479.29929	1.0
497.31210	5.2
541.45306	1.1
677.17212	1.7
677.34424	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	677.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	4.8
57.03428	3.3
69.03405	7.3
70.29802	5.2
70.30199	3.2
73.02863	1.8
84.96009	3.3
85.02876	12.1
94.06554	2.2
97.02870	7.5
98.97551	16.3
101.00881	4.1
107.31923	2.0
109.02848	2.1
110.97536	2.0
113.00811	1.8
115.03934	1.8
116.98586	14.9
119.01900	19.7
121.01655	4.0
121.02872	4.3
122.01382	5.1
127.03897	5.1
128.98590	6.0
131.01906	17.7
131.51898	1.8
132.01982	2.4
133.03448	3.7
134.99638	4.4
137.01866	9.3
137.02876	3.3
138.05522	3.6
143.01891	24.9
143.51923	1.8
145.01675	4.4
145.03462	11.9
145.04431	1.6
145.04898	1.6
146.99675	3.4
147.01395	1.9
147.03185	4.4
147.04216	3.3
149.01074	1.9
151.00589	2.0
152.02377	6.8
155.01886	14.6
157.01601	2.7
157.03448	6.1
158.02403	9.7
158.99608	6.5
161.01349	3.9
161.02922	32.0
163.02733	7.9
167.01894	6.7
169.01816	3.4
169.03447	4.9
170.99641	6.4
171.04982	4.3
173.01424	2.0
173.02937	32.9
173.52945	2.6
174.03014	2.9
174.99147	2.1
175.02695	6.4
175.04507	4.9
177.00652	9.9
177.05461	2.2
179.03018	4.2
182.03448	1.9
183.01573	2.4
185.02942	48.2
186.02966	3.9
187.02792	3.9
187.04491	4.9
189.00696	6.7
191.03966	3.0
197.02896	15.6
197.04533	2.4
199.04460	2.1
201.00697	7.3
203.02217	2.8
203.03998	29.8
203.54161	3.3
204.04172	2.4
205.03796	4.4
206.00754	2.7
207.01859	2.1
212.04424	2.7
215.03996	15.7
215.05853	2.4
217.03186	2.6
218.04576	2.4
219.01762	23.0
219.05214	2.7
220.04465	3.3
221.03110	2.3
221.05042	7.8
222.05220	3.5
223.02776	2.6
223.04768	15.5
227.03943	10.2
228.05437	2.1
229.03551	2.4
232.03394	2.2
233.01257	2.4
233.03223	3.4
237.02780	28.7
239.01112	2.1
239.05046	5.7
243.01791	2.4
245.05042	100.0
246.05188	8.8
247.04663	9.7
249.06363	2.6
251.04234	5.5
254.05539	3.3
255.07201	2.4
257.04797	3.8
257.07117	4.2
261.02863	6.9
263.06171	15.6
265.05658	3.0
267.07321	2.1
269.06006	6.1
269.56052	2.5
273.08133	5.0
274.08466	2.2
275.06003	9.8
275.08652	10.1
279.03793	3.9
284.02811	4.7
284.06598	4.3
284.52725	1.9
284.56741	3.7
286.07730	2.1
289.05881	7.9
289.09528	7.1
290.06320	2.6
304.15329	2.4
305.07199	20.8
307.06931	20.9
307.10474	3.8
326.11960	2.8
333.10321	3.8
334.10544	3.0
335.06122	8.4
335.10419	20.7
344.05026	6.6
344.55054	3.5
350.08737	4.1
352.11322	2.2
353.07413	29.9
353.11285	13.3
365.05136	2.4
365.09317	42.2
365.59528	2.8
366.09497	3.8
367.10797	4.9
371.08508	6.8
376.12369	2.5
377.11719	3.8
383.09869	3.1
395.08282	17.9
395.12222	3.6
425.10782	6.6
437.10675	5.4
455.10754	6.1
465.10876	40.1
466.10986	2.5
497.11807	4.2
515.12756	4.3
677.17786	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01851	2.9
62.02089	2.5
65.03916	3.3
67.05502	8.4
69.03419	4.5
69.07053	4.2
69.92277	7.8
69.92701	6.9
79.05487	11.5
80.04955	3.3
81.03388	3.5
81.05799	4.3
81.07058	4.2
82.06581	4.7
83.04981	2.6
85.02915	3.6
91.05471	12.4
93.07034	22.6
94.06559	26.3
94.97527	2.3
95.04968	4.6
95.07339	24.6
96.08121	47.9
97.02909	3.6
97.06505	23.3
98.20758	3.3
103.05450	6.0
105.07005	5.6
107.04945	3.6
107.99361	2.3
108.04449	11.9
108.08096	30.6
109.06468	3.0
109.08881	2.9
110.06080	2.7
110.09668	86.4
117.03379	4.8
119.08544	2.7
120.04438	18.3
120.08093	56.7
121.06522	4.1
122.06030	8.2
123.04398	2.4
123.06870	2.9
126.05502	3.1
134.05986	4.6
136.07582	14.9
137.02322	2.5
138.09128	97.6
145.02858	17.7
146.05994	3.0
147.04387	5.8
148.07561	12.6
149.06032	4.4
150.05440	3.0
150.14099	2.5
153.01808	3.5
160.07594	3.0
163.03825	3.0
163.07454	2.9
164.07072	6.9
166.08627	87.0
167.07065	3.9
177.01802	3.7
177.05441	34.4
178.06262	8.6
187.11130	3.1
190.04976	3.0
191.07016	4.2
195.02856	7.2
199.08791	5.8
204.06464	6.0
205.04945	5.0
209.10779	5.0
211.08629	5.4
212.09369	3.6
213.10277	5.6
219.03108	4.6
223.08710	5.8
223.12268	5.4
224.09235	3.8
225.06575	7.1
225.10219	9.1
227.11780	5.8
233.87489	2.4
235.08786	6.6
236.09483	9.3
237.10196	15.0
238.10861	4.9
239.11804	11.2
241.05009	3.3
245.12808	3.2
249.10228	23.3
250.10913	7.4
251.08157	3.1
251.08939	2.9
251.11816	37.5
252.12468	6.0
253.05302	2.6
253.09727	8.8
253.13344	5.5
255.02959	3.3
257.09113	3.1
257.12915	4.3
261.10239	3.2
263.08316	3.8
263.11755	15.2
264.12512	4.0
265.09735	10.8
265.13373	7.1
266.10321	2.7
267.11273	5.8
269.12814	43.5
273.12308	5.7
277.09738	5.9
279.11230	11.0
281.12592	3.4
282.09689	2.9
283.10733	7.6
285.07477	3.9
285.12311	11.6
293.12668	2.9
295.10925	6.2
297.12189	13.5
299.05615	2.8
299.10532	2.6
299.14108	4.5
300.15021	3.3
302.13095	2.9
309.12164	5.8
311.10376	4.5
311.13873	7.0
312.06216	7.1
313.07059	4.1
314.13113	4.1
314.16461	8.8
315.05060	18.1
316.14478	4.7
323.10132	3.9
325.11880	5.3
327.13419	4.5
328.14505	6.7
329.06439	2.9
329.11612	4.1
329.15427	2.6
330.07269	8.3
330.12433	9.4
330.16080	5.2
332.14005	4.3
341.15259	3.5
342.12433	6.3
342.16132	3.6
343.13248	8.0
344.09885	3.1
344.13904	13.3
344.17630	3.7
345.09665	24.4
345.14297	5.1
346.15549	5.4
355.13257	4.0
356.13766	8.7
356.17758	4.6
357.14694	8.1
358.15546	12.5
359.16254	8.4
360.17148	3.4
362.14944	3.8
368.13971	4.0
370.15515	6.3
371.16327	6.5
372.12933	4.7
372.17145	8.9
373.14554	4.7
374.14877	7.7
382.15552	4.4
384.16928	8.7
385.13940	3.3
386.15042	9.7
387.16052	11.6
388.16763	12.6
398.14951	3.9
400.16519	20.5
401.14020	2.5
402.18118	9.0
406.17581	5.4
412.16867	3.9
414.13995	3.0
416.15991	47.9
418.17871	11.5
420.15796	2.9
421.05133	6.1
421.15494	3.1
428.15991	18.7
430.17551	7.7
432.15244	2.7
434.17078	55.8
436.18491	5.3
444.15649	8.3
446.17099	96.8
447.17087	4.5
448.18399	4.0
451.10327	8.1
452.17853	12.6
456.15533	8.7
462.16626	16.3
463.14948	2.7
464.17944	14.2
474.16507	9.2
480.17545	16.3
489.12140	2.9
492.17160	2.8
494.19211	14.2
506.19363	16.6
512.20209	38.3
524.20093	17.2
553.24438	9.1
562.10895	3.6
571.25330	3.9
581.23792	26.6
583.24988	4.4
599.25037	82.9
600.25153	4.8
609.23389	11.8
615.14636	5.2
617.26056	20.3
627.24396	26.9
629.12927	4.5
641.26190	14.6
645.25470	100.0
646.25525	3.4
659.17535	94.0
659.27185	13.2
660.17548	8.9
677.17932	33.9
677.27972	75.8
678.19110	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	677.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
54.11205	1.2
55.01871	1.7
57.03429	1.5
61.85220	1.3
67.05495	4.7
68.99779	2.5
69.03445	2.0
69.07038	2.8
69.94605	4.8
69.94995	3.3
79.05487	8.3
80.04999	1.6
81.03378	3.8
81.07046	2.1
85.02892	4.3
91.05457	7.8
93.07050	8.8
94.06541	4.9
95.04967	2.7
95.07343	6.2
95.08607	2.1
96.08112	13.9
97.02879	2.7
97.06522	14.9
103.05484	2.7
105.07064	2.3
106.06561	1.8
107.04948	4.2
108.04473	4.1
108.08114	8.8
109.02863	1.7
110.09662	24.7
110.10398	1.1
117.03348	2.3
119.04940	3.2
119.08573	2.9
120.04453	5.8
120.08081	18.2
121.02916	1.9
122.06008	3.9
123.04391	3.4
129.06909	1.5
134.06033	1.6
135.04378	2.4
136.07588	4.2
137.05952	1.7
138.09114	26.7
143.08553	2.0
145.02823	5.3
146.06001	1.5
147.04414	4.2
148.07532	9.4
149.06013	2.8
151.03940	2.1
151.07544	1.9
153.01836	4.3
156.05054	1.6
161.05917	3.5
162.06761	2.1
163.03923	4.9
165.01794	3.0
165.05440	1.6
166.08621	21.6
167.07062	3.4
175.03870	1.8
177.01855	5.9
177.05475	12.9
178.06253	10.4
179.07016	3.2
181.04846	1.5
181.06433	1.7
183.02876	2.4
189.05548	1.7
191.03360	4.4
191.07047	7.9
192.07855	2.9
193.08621	3.9
195.02818	9.2
204.06531	3.0
205.04956	3.3
206.05635	1.5
213.05478	1.9
217.04938	1.9
219.02876	4.0
225.10355	2.4
227.03444	2.1
229.05029	1.5
231.06467	2.3
235.08702	1.6
237.10187	5.6
239.11748	2.2
241.04970	3.6
243.06583	2.0
244.03833	1.8
249.10246	6.2
250.11049	2.0
251.07199	1.4
251.11801	9.5
252.12535	3.2
253.13252	2.9
255.02882	6.8
255.11234	1.7
257.04483	1.9
259.06009	2.6
261.03870	1.8
263.11902	3.0
265.09668	2.2
265.13412	2.4
267.11209	2.2
269.04364	5.4
269.12854	11.7
270.04898	2.5
271.05795	2.4
273.12338	1.8
279.11172	2.0
281.04611	1.4
283.02505	3.6
283.10681	2.6
284.06665	1.8
285.04041	2.4
285.07523	2.6
285.12305	2.9
287.05368	8.2
293.04355	1.8
295.06076	2.3
297.06384	2.3
297.12354	3.5
299.05377	3.9
300.02567	4.0
300.06003	1.7
301.12665	1.6
311.05640	2.1
311.13986	1.9
312.06192	5.3
313.03452	2.6
313.06885	3.3
313.11725	1.5
314.12970	2.4
314.16440	2.0
315.04962	47.7
316.05295	3.8
317.06400	2.8
327.13843	1.8
329.06277	8.7
330.07288	21.6
330.11591	2.0
330.15826	3.5
331.07996	3.8
342.12448	1.9
344.08820	8.8
344.13651	2.7
345.06094	3.0
345.09644	67.5
346.09982	4.9
356.13892	2.5
357.14749	2.2
358.15536	3.4
359.07755	2.2
360.08292	4.9
367.07870	3.1
371.16248	2.3
372.13348	2.2
372.17392	2.4
384.17136	3.2
386.14810	3.6
388.16415	4.7
397.12933	2.2
400.16507	5.9
402.18274	3.1
405.17264	1.9
416.16061	13.9
418.17679	4.0
421.05472	2.4
428.16010	5.2
434.16974	12.0
436.18719	2.4
446.16995	26.4
447.17484	2.4
448.18625	2.2
451.10376	8.5
452.18253	3.8
462.16394	4.1
464.18063	4.3
474.16150	3.5
480.17447	2.5
494.19180	3.5
506.19138	3.7
512.20135	11.9
517.10803	2.9
521.18500	1.9
553.24463	2.7
562.10876	5.3
563.22485	3.4
581.23883	10.8
599.24969	25.4
609.23077	5.0
613.17139	2.0
615.17444	2.1
617.25751	4.3
627.24542	10.6
641.16168	5.8
641.26031	3.5
645.15265	2.2
645.25452	29.7
659.17523	100.0
659.27234	5.2
660.17944	16.1
677.18042	52.1
677.28253	25.7
678.18774	8.9
678.28754	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	677.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05500	0.5
55.66134	0.5
57.03430	0.4
67.05487	0.8
67.16904	0.4
69.03422	1.1
69.07060	1.8
70.06593	0.5
71.04979	0.5
71.66202	0.6
79.05472	1.6
81.03396	0.8
81.07045	0.9
83.05003	0.6
84.08131	0.5
85.02888	1.6
87.04470	0.4
91.05469	1.3
93.07042	0.5
95.04939	1.0
95.08566	0.6
97.02901	2.7
97.06499	3.1
103.05483	0.4
105.07014	0.6
107.04957	1.7
109.02847	0.5
109.06491	0.8
109.10142	0.6
117.03374	0.6
119.04926	0.8
119.08585	0.4
120.08062	0.7
121.06467	0.8
123.04408	1.4
125.06010	0.6
127.03898	1.1
131.04915	0.4
135.04407	1.3
136.05185	0.4
137.02356	0.7
137.05914	2.0
139.07539	1.0
145.02849	1.4
145.10057	0.5
147.04425	3.9
149.02338	0.7
149.05951	3.8
151.03937	0.6
151.07542	2.3
153.01811	1.0
153.05473	1.4
161.05960	1.2
162.06723	0.5
163.03893	2.9
163.07564	1.1
163.30289	0.4
165.01907	0.5
165.05536	0.8
165.06992	0.6
165.09161	0.9
166.06219	0.4
167.06984	2.3
168.07796	0.7
171.07999	0.6
175.03987	0.9
175.07536	0.6
176.04657	1.0
176.36626	0.4
177.01849	0.4
177.05453	8.0
178.06215	3.5
179.03398	1.2
179.06999	1.7
181.04959	1.1
181.06493	0.6
181.08609	1.3
187.04033	0.7
187.07475	0.6
191.03442	1.7
191.07011	9.5
192.07825	1.1
193.05003	1.1
193.08623	0.9
194.09386	0.6
195.02980	0.6
195.06549	0.9
195.08131	0.5
197.05965	0.6
201.05501	1.1
203.03432	0.7
203.07039	0.5
205.04895	3.8
207.06480	0.7
211.07498	0.6
213.05522	1.2
215.06892	0.6
219.02965	0.5
219.06500	1.1
222.05243	0.6
223.03922	0.6
225.05418	0.8
227.03391	0.7
229.04823	0.5
241.04918	1.0
242.05635	0.7
251.06973	0.6
253.04999	0.6
255.03270	0.5
255.06300	0.7
257.04410	0.7
264.04117	0.5
265.05005	1.7
268.03738	1.0
269.04498	1.6
277.08530	0.6
279.06580	0.8
281.04578	0.7
284.06879	0.7
285.03979	1.1
285.07547	1.2
293.04514	1.0
293.08066	0.8
295.06024	1.3
297.03738	2.1
302.05927	0.8
303.04886	2.6
304.14124	0.5
305.04535	0.8
305.08047	0.5
309.04016	0.8
311.05417	0.8
312.06235	4.2
313.07153	1.5
315.04974	1.0
319.05951	0.6
327.05447	0.7
330.07285	0.8
333.07526	0.6
335.05569	0.5
344.08810	2.2
345.09702	3.0
363.08994	0.5
375.04892	0.8
383.11340	4.9
389.06732	1.0
393.06512	1.1
397.06955	0.8
405.06192	0.6
409.06989	0.8
413.06256	0.8
418.07111	1.1
421.05447	10.6
421.10440	0.8
422.05899	0.6
425.06549	1.4
427.12051	0.5
429.09903	0.7
431.08105	0.6
435.07346	1.0
436.08029	1.2
439.08032	0.7
441.05859	0.7
443.07706	0.6
445.09677	0.6
450.09421	0.7
451.10220	18.9
451.15491	0.7
452.10318	0.6
453.10300	0.6
455.11526	1.0
457.09256	1.1
465.09833	0.6
469.05701	0.9
469.13327	0.6
471.11502	0.6
473.12555	0.6
477.09702	0.6
479.16895	0.5
483.11050	1.7
485.08771	0.9
489.11972	0.5
491.12405	1.0
493.13364	0.6
497.12289	1.4
498.13379	0.7
499.14865	2.0
501.11771	1.4
509.12271	0.7
511.13840	0.6
512.13843	2.3
512.21045	0.9
513.08392	0.6
513.15576	2.8
515.05902	0.8
517.10992	1.2
519.11035	0.6
530.15057	4.5
530.21820	1.1
531.09460	4.1
531.16492	0.7
537.11816	0.9
541.14856	0.7
544.10187	1.0
545.10999	1.4
547.10522	0.8
562.11017	11.3
563.11646	7.3
564.11853	0.6
565.11389	0.6
567.16492	0.7
569.18188	1.0
577.14972	0.7
585.17352	1.9
595.15991	1.0
599.15674	0.8
613.06549	1.1
613.16968	3.2
615.15540	0.5
623.15259	1.2
631.17950	0.8
634.10345	0.6
641.16498	6.0
642.17261	0.5
659.17535	100.0
660.17737	8.3
677.18213	4.9
678.19519	0.7
703.01721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03414	0.5
65.03925	0.6
66.08353	0.3
67.05487	0.6
68.97002	0.4
68.99797	0.7
69.03410	0.9
69.07052	1.9
71.04968	0.5
79.05486	1.6
81.03426	0.7
81.07043	0.6
85.02897	1.4
91.05473	1.6
93.07007	0.8
95.04948	1.2
97.02894	2.0
97.06502	3.3
98.21497	0.6
103.24318	0.4
105.03408	0.6
105.07036	0.8
107.04957	1.2
107.08589	0.6
109.02845	0.6
109.06524	0.5
111.04430	0.5
115.05442	0.6
117.03352	0.7
117.07015	0.6
119.04940	0.9
121.02852	0.9
121.06512	0.9
123.04455	0.6
125.05959	0.7
127.03903	0.9
131.04887	0.6
133.06459	0.5
135.04398	0.8
137.02376	1.1
137.05994	1.5
138.09151	0.5
139.07527	1.0
145.02808	2.6
145.06473	0.4
147.04393	3.8
148.05199	0.6
148.07552	0.8
149.02370	0.4
149.05974	2.4
151.07544	2.6
153.01833	1.4
153.05457	1.5
153.06985	0.4
159.08023	0.8
161.05983	0.8
162.06776	0.5
163.03902	2.5
163.07509	0.6
164.04683	0.6
165.01770	0.5
165.06949	0.5
165.09175	0.5
167.07072	2.2
168.07806	0.8
173.05948	0.9
173.13213	0.5
175.03909	0.7
175.07518	0.6
176.04724	0.8
177.01840	0.6
177.05457	6.6
178.06276	3.4
179.03419	1.3
179.07016	1.5
181.05014	1.0
181.06516	0.7
181.08609	1.8
185.05849	0.6
187.03969	0.6
187.07562	0.6
189.12810	0.5
191.03416	1.7
191.07008	9.5
191.08694	0.6
192.07765	1.4
193.04993	1.2
193.08568	0.7
194.09399	0.5
195.02914	0.9
195.06538	1.9
197.05975	0.5
205.04935	3.5
205.06679	0.5
207.06522	1.0
213.05394	0.9
213.09145	0.5
215.07056	0.5
219.06561	1.3
221.06064	0.6
222.05228	0.6
223.07527	0.4
226.06184	0.6
227.07115	0.7
229.04979	1.1
241.04962	0.9
253.04921	0.9
253.08884	0.4
258.01630	0.5
261.09256	0.5
263.07178	0.7
265.05045	1.0
267.06503	0.6
268.03723	0.5
269.04413	1.1
273.09225	0.4
275.07047	0.6
277.05011	0.5
279.02734	0.7
279.06424	0.4
281.04492	1.3
282.05246	0.5
283.06110	1.2
284.03345	0.5
284.06711	1.2
285.04056	1.1
285.07593	1.0
287.05670	1.4
293.04639	0.6
295.06128	0.4
296.03384	0.8
297.04047	1.6
299.05600	0.5
302.05646	0.5
303.04929	4.7
304.05258	0.8
305.04608	0.5
309.03983	0.6
309.07758	0.5
311.05325	0.6
312.06247	3.7
313.06940	1.1
315.05063	1.7
317.04666	0.6
319.05927	0.7
321.04111	0.6
322.04761	0.5
323.05740	0.7
327.04977	0.6
330.07346	0.8
333.07648	0.7
336.06299	0.5
339.09332	1.2
341.07755	0.5
343.05768	0.5
344.09076	1.4
345.09851	2.7
347.05759	0.5
357.07486	0.8
359.09143	0.8
369.07547	0.5
371.09317	0.7
375.04785	0.6
383.11337	5.7
385.07031	0.7
387.08777	0.7
393.06451	1.3
397.06799	0.7
413.06299	1.0
413.11075	0.5
418.06589	0.6
421.05450	10.2
421.10471	0.9
425.06003	0.9
427.12506	0.7
429.09842	0.6
433.10385	0.6
435.07370	0.9
436.07898	1.0
437.10529	0.6
439.07996	0.6
441.05930	0.7
443.07245	1.1
445.09464	0.6
451.10211	18.4
451.15894	0.6
452.10370	0.8
453.05579	0.6
457.09253	1.2
469.04919	0.8
471.06351	0.7
471.11005	1.4
473.12549	0.9
475.11063	0.5
477.09064	0.6
481.13376	0.6
483.10501	2.3
487.09903	0.6
487.14133	0.6
489.11465	0.8
493.13129	0.6
497.12415	0.9
498.13080	0.8
499.14154	1.3
501.11691	0.5
509.12265	0.6
511.13980	0.9
512.13849	2.5
512.20538	1.6
513.15234	2.4
515.13092	0.9
517.12097	0.9
521.12201	0.9
523.13013	0.6
528.13934	0.5
530.14948	4.6
530.22449	1.0
531.09332	3.5
531.16400	0.8
533.15039	0.8
544.10144	0.7
545.11121	1.2
559.15936	1.0
562.10986	10.5
563.03516	0.3
563.11737	8.1
563.19952	0.8
567.16400	1.1
569.17157	0.5
577.15186	0.7
580.11206	0.7
585.18011	1.9
587.19312	0.5
595.15930	1.2
597.16376	0.5
613.16901	3.4
615.14886	0.7
623.15741	1.1
631.18097	0.9
632.49750	0.5
641.16339	6.1
642.16614	0.7
659.17535	100.0
660.17920	7.9
677.18384	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	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01861	4.1
55.05499	12.3
57.03431	12.0
57.07067	1.5
61.02903	3.0
63.56741	0.9
67.05493	36.3
69.03410	3.9
69.07050	13.2
69.44754	1.1
71.01340	1.2
71.04978	4.5
71.63965	1.0
73.02921	1.0
79.05477	26.4
80.05798	1.7
81.03401	37.6
81.07039	44.2
83.04961	9.3
83.08601	21.2
83.78299	1.1
85.02351	1.5
85.02879	13.9
85.06522	2.3
85.18529	0.9
91.05460	22.1
93.07026	30.5
94.07357	1.4
95.04948	17.2
95.08585	13.1
97.02869	5.9
97.06510	8.4
97.10157	3.7
99.02758	1.1
99.08049	2.4
103.57597	1.0
105.07006	12.4
107.04941	3.9
107.08566	23.0
109.02894	1.4
109.06490	3.9
109.10156	5.0
111.04465	2.0
111.08060	9.1
113.06004	2.2
117.07008	5.0
119.04943	1.2
119.08580	9.2
121.06465	2.5
121.10121	14.7
123.04453	1.2
123.08052	2.2
123.11673	3.4
127.03873	1.7
127.07517	1.1
129.06982	5.8
131.08557	9.0
133.06471	1.4
133.10104	9.1
135.07999	1.7
135.11658	5.1
137.09634	3.1
139.31288	1.1
145.06461	1.3
147.08063	1.7
147.11636	8.2
149.09602	4.1
149.13222	15.5
157.10098	5.4
159.11661	8.2
163.03883	1.4
163.11125	1.9
165.09085	9.3
166.09413	2.2
167.07019	2.8
175.07643	1.2
175.11148	8.0
177.05354	1.9
177.12704	3.6
178.06250	4.2
178.90131	1.0
183.02904	1.1
191.07030	1.3
193.12206	21.7
194.12526	1.6
195.13794	4.7
211.13260	26.2
212.13615	1.2
216.06348	1.1
219.02821	1.3
226.90509	1.1
231.02937	1.5
249.14772	1.2
255.02771	5.7
259.05969	3.0
267.15881	20.7
267.18484	1.9
269.04407	2.4
269.17429	65.4
270.17694	2.5
283.02618	1.6
283.05966	1.6
285.16931	15.7
287.05502	5.0
299.05228	1.7
312.06284	1.7
313.07004	1.3
315.04922	32.8
329.06644	1.4
330.07330	14.0
345.09607	71.5
435.27878	1.2
441.97076	1.0
461.28903	41.7
462.29382	2.8
464.10498	1.4
469.14899	1.7
470.15036	3.2
476.10324	1.9
479.29947	100.0
480.30435	7.1
482.15402	1.4
483.16022	7.2
484.16867	5.1
485.16739	1.5
497.17725	4.3
498.18433	17.7
499.18256	4.2
505.10696	1.8
511.19339	2.5
512.20123	2.5
513.19824	1.3
558.20087	2.5
578.10309	1.5
579.10455	4.3
580.11127	1.5
644.23755	3.1
645.24634	3.5
646.24396	1.5
658.25562	2.4
659.16882	1.6
676.16705	10.5
676.26581	43.2
677.16077	4.9
677.27515	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	676.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01868	4.0
55.05505	14.0
57.03188	1.9
57.03427	13.7
61.02921	3.7
67.05151	3.1
67.05493	40.6
69.03433	2.8
69.07059	18.2
71.04992	7.2
71.40036	3.9
73.02905	2.5
79.05486	31.1
80.06275	1.5
81.03408	37.4
81.07044	55.4
82.90983	1.9
83.04980	13.8
83.08614	24.5
85.02890	16.4
85.06534	3.0
91.03964	2.1
91.05470	25.2
92.04651	1.6
93.07034	42.0
95.04955	20.4
95.08588	20.4
97.02866	5.3
97.06515	15.2
97.10180	2.2
99.08069	3.5
101.09660	1.5
105.07005	14.2
107.04927	4.3
107.08582	23.0
109.06503	6.0
109.10125	6.4
111.08070	12.5
113.05996	2.3
116.73643	1.5
117.06984	5.3
119.04867	1.9
119.08553	14.7
121.06519	3.0
121.10142	13.8
123.04429	1.7
123.08050	1.8
125.09590	2.2
127.03911	2.2
129.06970	6.4
131.08546	10.1
133.06432	2.6
133.10100	10.9
135.11659	5.8
137.06012	1.6
137.09653	1.8
142.07739	1.9
145.02942	1.6
145.10066	3.7
147.04352	4.3
147.08043	1.6
147.11668	11.6
149.06041	2.1
149.09616	4.7
149.13229	20.0
151.11127	1.8
153.01802	2.0
157.10094	9.8
159.11678	8.3
163.03851	2.5
165.12720	2.6
167.06900	1.7
173.05927	1.9
175.11133	9.6
177.05466	3.8
177.12779	4.7
178.06253	7.8
183.59398	1.7
191.03445	3.1
191.06972	2.9
191.42288	1.9
193.08502	1.7
193.12222	26.5
195.13759	8.0
202.05618	1.6
211.13258	36.9
212.13609	1.7
213.05435	2.1
239.83612	1.8
241.05057	2.4
255.02837	3.9
267.15912	20.0
269.04340	2.4
269.17441	83.7
282.04913	2.1
283.02292	1.6
285.07428	2.1
285.16895	27.6
287.05411	2.6
297.03799	2.5
300.02612	1.9
312.06235	4.5
313.06842	2.7
315.04935	29.1
330.07391	11.5
331.07712	1.8
343.07867	4.9
344.08688	5.2
345.09641	58.3
346.09790	3.8
446.05496	2.3
450.09531	2.4
461.28995	42.1
462.28992	2.7
464.10318	4.6
476.10431	3.8
479.29984	100.0
480.30170	4.1
503.06268	2.3
505.10645	2.2
519.15625	2.0
533.10809	4.2
547.15344	5.8
569.25238	2.2
578.10101	2.8
579.10876	11.3
580.11102	2.5
587.26019	2.6
605.27362	2.2
611.11487	3.0
641.16016	5.0
658.16052	4.0
659.17389	35.2
676.17224	21.3
677.18475	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48772	0.3
53.03902	0.4
55.05463	1.3
57.03404	0.7
61.02904	0.5
67.05492	1.6
69.03367	1.0
69.07028	0.9
70.83618	0.9
76.21159	0.3
77.16418	0.4
79.05457	2.0
81.03358	1.2
81.07043	2.1
83.04969	0.6
83.08580	0.7
85.02888	1.7
85.06496	0.4
91.05459	1.7
93.07036	1.7
95.04945	0.8
95.08549	1.5
97.02841	0.9
97.06483	1.1
99.07997	0.5
105.01839	0.3
105.06969	1.3
106.11072	0.3
107.04877	0.7
107.08509	0.4
109.02801	0.8
109.06467	0.7
109.10094	1.0
117.06962	0.5
119.08508	1.6
121.06460	0.4
121.10102	1.2
123.04372	0.5
127.03828	1.2
129.06937	0.5
131.08519	0.7
133.10069	0.7
135.07999	0.5
135.11578	0.4
137.09598	0.8
145.04941	0.4
145.10040	0.5
147.04332	0.4
147.11635	0.7
149.05946	0.4
153.01703	0.6
159.02890	0.4
159.11600	0.6
162.27521	0.4
163.03865	0.6
165.01817	0.6
165.09106	6.8
167.07039	0.6
177.01759	1.3
177.05440	0.5
178.06200	0.5
179.14194	0.5
191.03244	0.5
193.12111	0.3
195.02823	1.5
205.12244	0.7
216.40460	0.3
219.02847	1.4
231.02922	0.5
277.21509	0.5
291.19537	0.5
315.05063	0.8
330.07379	0.7
344.08929	1.3
345.09564	2.2
351.25455	0.4
433.05762	0.4
439.14117	0.7
445.05295	0.8
453.15820	0.9
454.16296	1.2
455.13086	0.8
459.07401	0.6
460.27411	0.5
463.10098	0.8
467.13409	1.2
468.13593	3.0
469.14780	9.4
470.15564	2.8
473.09421	0.4
475.10205	1.5
478.28949	0.5
479.17084	0.7
481.14594	2.5
482.15799	12.9
482.22723	0.8
483.16559	12.2
484.17389	3.0
485.17889	0.7
493.18823	0.4
495.16440	1.3
496.17563	6.8
497.18176	50.7
498.18640	7.6
499.19839	0.7
500.16739	0.9
501.17459	0.5
504.10373	1.4
510.18860	3.1
511.19720	6.6
512.20447	1.8
515.19342	2.9
518.15570	0.6
523.16321	0.9
524.17035	0.7
525.16858	0.5
527.15759	0.5
528.16302	3.2
529.16553	0.4
538.20532	1.5
541.17078	1.4
542.17780	3.0
543.17920	0.4
546.15442	1.3
555.18195	1.9
556.19574	3.7
557.20190	3.7
569.20032	1.2
570.20898	0.4
571.20728	0.6
578.10498	3.1
579.11115	0.8
587.21478	0.4
616.21448	1.5
617.21991	0.6
629.22894	0.8
643.23853	7.4
644.24683	8.2
645.25238	1.6
657.15656	0.8
657.25433	7.7
658.25922	1.2
675.17175	5.6
675.26538	100.0
676.16882	0.5
676.26831	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	675.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01110	0.2
53.03945	1.1
55.01866	1.6
55.05500	1.4
55.46318	0.2
57.03408	1.0
57.07053	0.6
61.02895	0.7
65.03917	0.3
67.05495	5.1
68.99776	0.5
69.03423	3.7
69.07057	2.7
71.04982	0.5
71.59550	0.3
73.02911	1.1
77.03854	0.2
79.05474	1.9
81.03405	4.2
81.07046	6.1
83.04974	1.2
83.08591	1.3
85.02401	0.4
85.02893	8.1
87.00821	3.5
87.04453	0.3
91.05467	2.2
93.07037	2.9
95.04955	1.2
95.08595	4.2
97.02882	4.9
97.06514	2.2
97.10140	1.0
99.04424	1.6
103.03955	0.2
105.01836	1.8
105.07021	2.3
107.04938	0.8
107.08575	2.0
109.02863	2.9
109.06481	0.7
109.10147	6.6
111.04389	0.4
111.08055	0.2
111.11698	0.5
115.03893	0.3
117.01836	0.6
117.07009	0.8
119.04904	0.2
119.08563	4.2
121.06469	0.6
121.10117	1.9
122.07285	1.8
123.04410	0.7
123.08052	0.4
123.11684	1.5
125.05946	0.6
125.09584	0.3
127.03902	5.0
129.01794	0.6
129.05519	0.4
129.06915	0.3
131.04913	0.3
131.08542	0.9
131.67044	0.2
133.10086	1.0
135.04349	0.2
135.08017	0.8
135.11685	1.1
137.02240	0.3
137.06004	0.4
137.09595	11.2
137.13229	0.9
141.05623	0.3
143.08572	0.6
145.02916	0.3
145.04938	2.4
145.10100	0.9
147.02869	0.5
147.04405	0.4
147.11682	0.8
149.05983	0.5
149.09578	2.5
149.13255	1.2
151.07509	0.8
151.14787	0.3
153.05499	0.2
155.08521	0.5
157.10187	0.4
159.02895	2.1
159.08006	0.3
159.11710	0.8
161.05919	0.3
161.09605	0.7
161.13217	0.5
163.03883	0.4
163.07494	0.3
163.11159	0.6
163.14819	0.7
165.09091	100.0
166.09457	1.8
167.07068	0.4
171.11729	0.3
173.09612	0.6
173.13284	0.6
174.40425	0.2
175.07539	0.3
175.11189	0.9
175.14812	0.4
176.08426	0.3
177.05420	1.1
177.09064	1.7
177.12614	0.2
178.06207	0.7
179.07018	0.3
179.10645	1.6
181.08621	0.3
187.11130	0.3
187.14876	0.6
189.09119	1.1
189.12706	0.5
190.09833	0.5
191.06952	0.4
191.10655	0.9
191.18015	0.3
193.12177	0.4
195.06474	0.4
201.12700	0.3
203.10583	1.9
203.14319	0.4
204.07756	0.3
205.04901	0.4
205.12224	8.0
213.16408	0.3
217.12180	0.5
217.15765	0.2
219.13832	0.3
226.79262	0.2
229.12225	0.3
231.04961	0.9
231.13770	0.5
233.15454	0.3
241.05028	0.3
245.15289	0.4
253.14517	0.2
255.02777	0.2
257.22952	0.4
283.05957	0.2
287.05463	0.3
312.05814	0.3
315.04874	1.6
327.39114	0.2
330.07538	0.7
344.08844	0.6
345.09641	3.4
351.25308	0.5
357.07831	0.3
383.29507	0.3
405.05661	0.3
413.06348	0.3
427.35886	1.3
433.05499	0.8
434.06042	0.3
445.05023	1.1
457.05469	0.5
461.08401	0.3
463.10086	1.4
464.10938	0.4
471.11093	0.3
475.10522	1.1
487.09985	0.6
488.09875	0.3
489.11887	0.3
490.12521	0.3
504.10666	1.6
505.10986	0.4
515.29883	0.2
517.15619	0.2
517.36829	0.7
518.15948	0.6
523.32843	0.7
532.09644	0.3
533.10394	0.5
535.37732	0.5
546.14917	1.1
578.10663	3.5
579.11017	1.3
611.15289	0.5
613.16638	0.3
629.16425	0.9
631.17853	0.6
657.15912	3.1
658.16187	0.4
675.16864	7.9
676.16956	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	675.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.2
55.01849	4.8
55.05511	9.9
57.03414	7.0
61.02913	20.2
64.75609	1.4
67.05495	30.7
69.03423	10.3
69.07056	14.9
70.06564	1.5
71.04964	2.2
71.60260	2.0
71.60622	2.1
73.02901	8.4
75.04468	1.7
79.05476	30.9
81.03392	9.2
81.07043	32.5
82.56551	1.4
83.04967	4.9
83.08600	6.3
85.02893	22.8
85.06519	3.1
89.03915	1.9
91.03938	11.0
91.05464	32.1
93.07028	42.0
95.04958	9.0
95.08593	24.9
97.02881	15.4
97.06510	19.8
97.10151	4.3
99.04445	2.7
99.08092	3.5
103.05448	2.2
105.07008	33.4
107.04952	4.8
107.08566	24.7
109.02865	4.1
109.06502	4.9
109.10138	11.3
111.08054	3.0
117.03357	4.9
117.06979	8.8
119.04900	1.4
119.08561	25.8
120.08125	2.1
121.06484	4.1
121.10130	20.6
123.04426	2.9
123.08042	2.8
123.11694	3.5
125.55658	1.5
127.03893	7.8
129.06969	7.7
131.08551	12.8
133.06508	2.9
133.10106	20.5
135.04456	1.6
135.08044	2.9
135.11688	14.5
137.05930	2.6
137.09605	4.8
137.13365	1.7
141.07021	2.3
142.07732	2.5
143.08562	6.9
145.02837	11.4
145.04941	3.7
145.06447	1.8
145.10091	15.5
147.04393	1.8
147.11638	18.4
148.07549	1.9
149.05962	5.0
149.09624	3.1
149.13263	10.0
151.07521	4.2
151.11147	1.7
153.01804	2.4
155.08528	3.4
157.06464	1.6
157.10112	8.5
159.08034	1.6
159.11633	12.2
161.09601	4.1
161.13234	16.2
162.06628	2.2
163.03899	3.4
163.06023	4.7
163.11194	3.0
163.14813	5.8
165.01889	2.1
165.05431	1.7
165.09084	24.3
167.07118	2.1
167.08577	2.8
169.10167	2.2
171.11693	10.0
173.11787	1.5
173.13196	7.3
175.11215	3.4
175.14803	7.6
177.05440	23.9
177.12651	1.9
178.06232	8.5
179.06995	3.6
181.06456	1.9
181.08588	1.8
183.08168	2.1
183.11580	2.3
185.09612	1.5
185.13223	9.1
187.11241	1.6
187.14804	1.7
189.12708	2.4
191.03313	1.6
191.07005	6.0
193.12292	2.1
195.06511	3.3
195.08133	2.0
197.13390	2.2
198.54333	1.5
199.14796	4.8
205.04926	5.1
209.09605	2.1
211.07480	2.3
231.13838	2.0
239.03511	2.1
239.06755	1.8
241.19481	10.4
255.02917	3.9
258.69684	1.5
259.20529	35.7
269.04510	2.0
271.20691	1.6
277.21646	6.7
283.06085	1.9
283.10785	1.9
287.05417	3.7
293.04227	1.6
295.02463	2.2
299.05295	1.8
300.05798	1.9
302.92679	1.8
312.06152	2.3
313.06964	2.9
314.07550	2.0
315.04984	16.1
315.08667	2.3
316.05289	2.8
325.21692	2.5
330.07330	8.7
331.08023	4.4
332.08212	2.5
333.24200	6.0
344.08926	5.7
345.09644	35.9
346.10034	5.4
349.23737	4.3
351.25232	77.0
352.25513	2.9
355.05862	1.6
363.25226	3.4
367.22488	2.7
373.06802	2.2
375.25388	3.6
385.07129	2.0
393.26685	1.6
399.08591	2.1
401.06360	3.4
405.06143	3.3
411.04858	2.1
413.06577	4.3
429.05722	2.3
431.07843	2.2
433.05511	6.5
434.05750	2.4
439.04370	2.8
441.05740	2.3
441.26395	6.4
443.07486	2.5
444.08429	2.0
445.04782	7.1
450.09607	3.2
451.10345	4.8
457.05621	5.4
459.06686	3.2
459.27432	5.3
461.08560	4.3
463.10126	13.0
464.10730	5.4
469.09433	1.9
471.11099	2.2
472.08142	2.1
475.10455	14.3
477.28342	7.6
487.10895	8.2
488.11047	2.5
489.11874	2.0
490.12253	3.3
495.29340	7.3
503.09772	5.0
504.10406	12.9
505.11041	5.1
517.11279	2.7
518.08667	2.0
518.15582	6.6
532.10095	4.0
533.10486	2.8
534.11627	2.7
543.09241	1.8
546.15131	9.9
559.16241	2.6
561.10309	1.9
577.09100	1.9
578.10492	37.7
579.10815	15.7
580.11450	2.0
583.15613	4.2
585.17163	2.2
601.16840	5.7
611.15125	2.6
612.17426	1.7
613.17261	3.1
629.16309	13.6
630.16467	4.3
631.17908	5.4
632.18347	2.4
647.16919	2.1
657.16016	24.9
658.16467	6.1
675.16766	100.0
676.17010	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83002	1.2
55.01844	1.7
55.05490	4.7
55.68640	1.2
57.03421	2.0
57.07063	7.3
58.07394	1.5
61.02910	3.7
67.05498	9.5
68.05823	1.3
69.03416	2.8
69.07062	3.7
70.38132	2.6
70.38533	2.2
71.04974	1.4
71.08613	5.4
72.08961	1.4
76.67234	1.2
79.05482	5.5
81.03397	4.3
81.07043	8.0
83.04971	2.0
83.08617	2.4
85.02892	3.8
85.10162	2.3
91.05451	4.2
93.07017	4.3
95.04937	1.5
95.08593	6.8
96.08908	1.9
97.02880	4.9
97.06494	1.3
97.10107	2.0
98.20738	1.5
98.97583	1.5
105.07040	3.6
107.08606	2.3
109.06532	2.0
109.10136	3.6
114.14323	1.3
117.07014	2.5
119.08531	2.6
121.10107	1.5
131.08574	2.0
133.10088	3.0
133.51930	1.2
135.11668	1.4
145.10071	1.6
149.01228	1.4
149.02283	1.3
169.10065	1.5
173.13376	1.4
212.45065	1.2
227.12767	1.5
239.23799	1.8
275.19894	1.8
295.20499	1.3
313.27396	6.4
314.27527	6.7
315.27957	3.7
332.28741	2.4
345.09631	3.1
347.17184	6.5
347.67255	4.1
348.17468	1.4
370.10562	1.6
374.41632	1.3
384.12296	3.6
385.12973	13.4
386.13873	6.7
397.12903	1.9
398.13861	7.0
399.14526	22.4
400.15311	63.0
401.15671	5.0
411.14230	2.2
412.15546	6.4
413.16089	18.9
414.16748	24.0
415.17441	4.2
416.15482	1.8
424.14734	1.5
425.15991	1.7
427.18155	10.7
428.18616	15.6
429.12750	2.2
429.19247	45.2
430.19678	2.8
433.04880	1.5
440.15051	1.7
442.16037	6.6
443.13318	4.0
444.14395	10.3
445.05508	2.1
447.20090	3.0
455.17038	16.2
456.17749	6.9
457.19077	3.4
458.15851	5.8
459.16458	4.7
463.10046	3.1
469.19138	2.3
472.17303	6.5
473.18256	19.3
474.18637	2.2
475.10074	4.3
481.14807	2.1
483.16504	12.7
487.16095	6.1
495.16293	1.9
499.15869	3.1
500.16864	1.4
501.17294	8.3
502.18100	4.3
504.10602	2.1
511.19495	3.7
513.35461	4.4
516.23688	12.0
518.15985	2.5
519.19214	1.5
523.15759	2.6
527.15454	5.5
534.82581	1.5
539.19165	11.2
540.19507	6.5
543.22437	13.6
544.23181	33.4
545.23071	1.6
546.14728	1.4
555.18567	2.7
559.21503	1.6
560.22662	13.6
569.19629	1.7
570.20837	2.1
571.21851	51.3
572.22351	14.3
573.19818	3.5
575.24786	3.1
578.10370	8.8
579.10895	2.1
587.21417	6.8
588.22089	100.0
589.22321	7.2
593.83594	2.4
597.19867	1.5
601.22742	3.8
603.24152	6.0
615.20563	8.4
616.20947	6.0
619.23486	3.3
629.22449	15.8
631.24182	7.0
647.22961	5.7
657.22180	18.2
675.16931	14.2
675.22754	5.8
675.35419	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72994	1.1
55.01867	1.5
55.05499	1.7
57.03403	1.0
65.03931	1.2
67.05497	3.3
69.03437	1.5
69.07053	2.0
71.59200	1.8
79.05477	3.2
81.03404	3.6
81.07031	4.5
83.08610	1.2
84.04439	1.1
84.08133	2.3
85.02908	2.2
91.05501	3.0
93.07043	3.5
95.04969	2.6
95.08607	2.0
97.02890	1.8
97.06527	4.8
105.07013	3.6
107.04957	1.3
107.08611	1.4
109.10133	1.5
115.73533	1.2
117.07006	1.4
119.04930	1.6
119.08582	3.4
121.10191	2.0
123.04427	1.3
129.06970	1.4
129.22523	1.2
133.10069	2.1
135.04344	1.2
139.03897	1.2
142.14594	1.2
145.06436	2.5
147.04396	1.8
147.11717	1.8
149.05910	1.7
151.07495	2.1
157.10052	1.6
161.05898	1.4
163.03882	1.8
165.01901	1.3
165.09160	1.4
167.07042	3.1
167.08432	1.2
168.07806	1.5
175.03908	1.3
177.05499	3.6
178.06213	7.1
181.08649	1.7
191.07037	4.7
192.07802	1.3
193.05008	2.1
195.06529	2.6
201.05516	1.6
205.04926	2.4
213.05357	1.6
216.04219	1.7
219.02866	2.3
239.07060	1.7
241.04916	2.1
255.02901	6.3
259.05966	1.9
267.06897	1.3
267.15939	2.0
269.04413	2.9
285.07495	2.8
287.05426	6.5
294.05405	1.3
297.04156	1.8
299.05591	2.2
300.02658	1.9
303.13348	1.5
312.06262	1.9
313.07010	2.9
315.04941	38.6
315.08517	2.3
329.06714	1.8
330.07278	22.4
331.08255	7.6
344.08908	3.1
345.09656	77.2
346.09973	3.2
387.09161	1.8
405.05893	1.8
433.05612	3.0
436.07468	1.2
445.05515	5.0
446.72461	1.3
455.07620	1.7
457.04544	1.5
459.27731	1.8
460.27658	2.1
463.10239	5.7
464.11099	2.6
473.08636	2.7
475.10461	6.0
477.28543	2.2
487.10373	4.7
488.10522	1.5
489.11639	2.5
490.12918	1.5
504.10330	7.5
518.15369	6.3
532.09991	1.9
533.11060	1.9
546.15442	6.1
561.10242	1.3
578.10535	26.5
579.11383	7.5
617.12628	1.6
629.16443	4.7
657.15851	11.8
674.37317	1.9
675.16888	100.0
676.17151	3.3
685.06049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.2
55.05473	0.3
57.03403	0.3
63.28347	0.2
65.03882	0.2
67.05493	1.0
68.99734	0.2
69.02216	0.2
69.03400	0.4
69.07013	0.5
70.06549	0.2
73.21432	0.2
77.94366	0.2
79.05464	1.0
81.03388	0.9
81.07048	0.9
83.01276	0.2
83.04925	0.3
83.08572	0.3
84.08076	0.6
85.02845	0.4
91.05463	1.1
93.06976	0.6
95.04893	0.6
95.08562	0.4
95.20602	0.2
97.02819	0.5
97.06515	1.0
97.10088	0.2
99.05196	0.2
105.03343	0.3
105.06949	0.7
107.04904	0.7
107.08546	0.4
108.08095	0.2
109.02827	0.3
109.06429	0.3
109.10109	0.4
119.08514	0.4
120.07981	0.2
121.06450	0.3
121.10082	0.2
123.04359	0.4
126.21025	0.2
127.03877	0.3
128.06163	0.4
131.08499	0.2
135.04373	0.3
137.05923	0.3
143.08545	0.3
145.06487	0.2
145.10083	0.3
147.04297	0.6
147.11566	0.3
149.02205	0.2
151.03902	0.2
151.07489	0.3
152.06085	0.4
153.01768	1.3
155.08498	0.3
157.06459	0.2
157.10138	0.2
161.02267	0.3
163.03888	0.9
165.01764	0.3
165.06914	0.5
165.09059	0.2
167.06961	1.2
167.08517	1.4
169.06410	0.3
170.02005	0.3
172.03871	0.2
173.05862	0.5
174.06718	1.2
175.03754	0.3
175.07484	0.4
175.11203	0.2
177.05394	0.8
178.02521	0.4
178.04750	0.2
178.06239	4.0
179.03252	0.3
183.07957	0.2
184.30795	0.2
187.03932	0.3
187.07376	0.2
189.05380	0.3
191.03343	0.4
191.06926	0.7
193.06471	0.3
193.12196	0.3
195.06464	0.3
195.08018	1.9
198.06685	0.4
201.05443	0.4
202.06134	0.2
203.06932	0.4
204.04161	0.3
205.04897	0.4
211.03911	0.2
211.07492	2.1
213.05452	0.3
213.09045	1.0
215.06944	0.3
216.04077	1.1
217.04860	0.4
219.02831	0.6
227.03391	0.4
228.04071	0.3
229.04829	0.3
229.08575	0.6
231.02914	0.2
231.06598	0.9
239.06978	1.5
241.04871	0.7
241.08569	0.8
243.06589	0.9
243.11290	0.3
244.03604	0.8
244.11601	0.5
245.04286	0.3
249.05486	0.3
255.02858	6.2
256.03296	0.3
257.08005	1.4
259.06012	1.7
267.06345	0.4
269.04388	1.7
270.04910	0.2
271.05780	0.3
272.03125	0.3
281.04440	0.4
283.02304	1.6
283.05807	0.8
284.03278	0.5
284.06845	0.5
285.04437	0.2
285.07510	1.4
285.12250	0.5
286.12573	0.2
287.05457	7.0
287.08701	0.5
297.03943	1.7
298.04633	0.5
299.05432	1.2
300.02612	2.7
301.03711	0.2
301.07108	0.6
303.08545	0.7
311.05417	0.5
312.06274	1.5
313.03705	0.4
313.06964	1.9
314.04300	0.3
315.04938	41.3
316.05161	0.9
317.10223	0.3
325.07162	0.2
329.06323	1.2
330.07281	19.4
331.08044	1.9
344.08820	1.4
345.09625	100.0
346.09909	2.3
413.06372	0.2
433.05133	0.4
445.05533	0.3
457.05341	0.3
459.06964	0.5
459.27188	0.6
460.27628	0.4
463.10193	0.9
464.11279	0.2
469.09570	0.2
473.08441	0.3
475.10190	0.8
477.28455	0.6
478.28870	0.5
487.10239	0.4
504.10159	1.0
513.11981	0.2
517.11163	0.3
518.15491	0.4
533.10608	0.3
546.15222	1.0
560.08832	0.3
578.10449	2.5
579.11127	0.9
601.17499	0.3
613.16290	0.3
629.16187	1.1
657.16040	2.3
674.34650	0.3
675.16870	10.7
676.16852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
53.46199	0.3
55.05481	0.3
55.23016	0.2
57.46202	0.3
58.19989	0.3
67.05472	0.4
68.99755	0.3
69.49781	2.2
79.05460	0.6
81.03376	0.6
81.07014	0.4
85.02846	0.3
91.05425	0.5
93.07008	0.6
95.04968	0.4
95.08588	0.4
97.02821	0.4
97.06469	1.1
105.06978	0.3
107.04930	0.4
109.10139	0.4
119.08632	0.3
123.04350	0.5
133.10030	0.3
135.04413	0.3
137.05911	0.3
145.02733	0.4
145.06425	0.5
147.04352	0.6
149.05916	0.5
151.07529	0.4
153.01782	1.3
154.81845	0.3
160.65817	0.3
163.03859	1.2
163.07468	0.5
165.06920	0.3
165.09117	0.5
167.06958	0.8
167.08496	1.0
171.60951	0.3
173.05940	0.4
174.06761	0.8
175.03967	0.3
177.05429	0.8
178.04761	0.3
178.06244	6.0
179.03413	0.3
179.06970	0.3
185.05963	0.4
187.03894	1.6
190.07574	0.3
191.06993	0.9
193.06519	0.4
195.06439	0.3
195.07954	1.4
199.07484	0.3
201.05376	0.5
202.06200	1.7
203.06815	0.3
205.04854	0.4
211.07527	1.5
214.29915	0.3
216.04163	0.7
217.05017	0.4
219.06639	0.3
231.06512	0.8
239.06999	0.8
241.04822	0.9
241.08604	0.4
243.06570	0.7
244.03777	0.6
255.02827	5.8
257.08163	1.4
259.06061	1.6
267.06488	0.5
269.04382	2.3
270.05099	0.4
281.04498	0.6
283.02267	1.4
283.05991	1.1
284.03204	0.6
284.06653	0.4
285.04550	0.4
285.07562	2.3
287.05441	6.3
295.05957	0.5
297.03891	2.0
298.04865	0.5
299.05524	1.2
300.02686	2.2
301.07089	0.6
311.05499	0.7
312.06308	0.6
313.07019	2.2
314.55438	0.4
315.04938	37.9
316.05457	0.7
329.06641	1.3
330.07297	18.4
331.07825	1.2
343.07880	0.5
344.05743	0.2
344.08862	8.2
345.09641	100.0
346.10010	2.9
351.25348	0.4
351.90729	0.4
385.44818	0.3
399.11627	0.5
445.05746	0.5
463.10260	0.5
475.10187	0.5
477.28708	0.3
487.09891	0.4
504.10590	0.7
546.15228	1.5
578.10522	1.3
579.10870	0.4
629.16235	0.4
631.17627	0.3
657.16113	1.4
675.16919	15.7
676.17676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.7
55.05507	11.0
57.03200	1.4
57.03427	10.6
61.02910	3.9
64.81706	1.2
67.05497	18.9
69.03406	4.1
69.07056	6.6
70.06567	1.3
71.04977	3.4
71.33611	1.6
71.33940	1.7
73.02896	1.5
79.05485	18.6
81.03408	87.6
81.07044	23.0
83.04964	8.4
83.08611	18.3
85.02899	12.1
85.06555	2.0
88.07606	1.4
91.03946	1.2
91.05473	25.3
91.29009	1.0
93.07025	14.8
95.04962	27.5
95.08604	9.8
97.02879	5.5
97.06535	4.1
97.10149	3.2
105.07024	19.7
107.04952	8.8
107.08585	8.4
109.06506	5.7
109.10130	5.7
111.04469	1.6
111.08049	7.6
113.05968	1.2
115.05442	1.5
117.06982	4.3
119.08565	15.7
121.06493	2.9
121.10121	9.2
122.10426	1.1
123.04404	2.1
123.08043	3.2
123.11716	1.6
125.09618	2.8
127.03886	1.9
129.07016	8.6
131.04933	1.0
131.08556	11.6
133.06412	2.6
133.10120	7.3
135.11617	2.0
137.09589	1.9
141.06992	1.2
142.07770	3.3
145.06474	3.9
145.10118	2.9
147.08035	3.3
147.11676	10.8
149.02286	3.3
149.09602	4.3
157.10100	11.1
161.05833	1.4
163.11169	3.7
165.12711	1.3
167.07033	2.4
171.11821	1.1
175.11179	9.4
193.04967	2.6
193.12219	31.2
193.14008	2.0
195.13666	1.5
197.26808	1.7
203.51253	1.2
205.12033	1.3
211.13260	19.2
223.24080	1.2
228.23204	2.0
239.06795	1.3
249.14838	3.4
267.15881	100.0
268.16229	1.9
269.17395	3.1
273.14828	3.4
283.15369	4.8
285.16904	19.1
303.12152	1.6
339.23413	1.2
345.09567	1.4
349.21320	2.8
364.14471	1.4
367.22620	10.6
385.23718	9.8
403.24817	2.6
433.25632	9.4
441.26260	3.0
459.27390	46.5
460.27606	1.5
463.09961	2.1
475.10046	3.3
477.28433	50.1
489.08194	1.6
504.10400	2.0
518.15637	1.9
519.29016	1.6
543.44110	1.3
546.15198	1.8
578.10382	7.2
579.11401	1.9
655.05084	1.3
674.35071	8.0
675.16986	11.8
675.26819	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	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95848	2.0
53.03930	4.9
55.01873	2.9
55.05504	14.0
57.03432	13.1
61.02910	3.9
66.21829	1.9
67.05495	26.0
69.03411	6.7
69.07051	7.3
70.06573	5.7
71.04984	3.1
71.21204	4.3
79.05479	22.9
81.03410	93.5
81.03895	5.0
81.07053	26.9
83.04974	12.3
83.05361	1.9
83.08603	25.1
85.02895	17.6
85.06538	3.1
88.07604	3.1
91.05476	32.0
93.06611	1.7
93.07037	18.6
95.04958	33.9
95.08585	13.7
97.02885	6.8
97.06518	5.4
97.10137	6.3
105.07014	24.8
107.04912	7.9
107.08570	6.6
109.06503	6.4
109.10102	5.0
111.04447	3.6
111.08054	8.8
113.05942	2.8
115.05431	2.2
119.08576	18.0
121.06477	3.2
121.10120	11.3
123.08038	4.1
125.09620	3.2
129.06987	14.0
131.08542	13.6
133.06450	5.6
133.10101	10.3
135.11630	2.6
137.09634	2.6
142.07687	3.1
143.08527	2.4
145.06453	2.2
145.10168	3.0
145.97493	2.1
147.08005	5.8
147.11688	13.3
149.02332	5.9
149.09583	7.9
151.11224	2.7
157.10095	10.0
159.11862	2.2
159.66864	2.1
175.11189	13.8
193.04974	2.4
193.12236	45.7
211.13239	27.1
222.10103	2.4
228.23248	4.9
235.19324	2.1
267.15884	100.0
268.64999	2.1
273.14838	6.4
285.16895	25.3
335.05591	2.3
341.20944	2.0
345.09805	2.2
349.21530	4.9
367.22696	11.4
385.23718	8.3
433.05441	2.9
433.25821	13.2
441.26395	7.7
459.21069	4.2
459.27380	51.2
460.27573	3.5
463.10095	4.3
475.10098	4.9
477.28391	40.1
504.10577	6.6
578.10522	15.6
585.30518	3.0
674.15509	2.9
674.34796	9.5
675.17023	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	675.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90616	0.5
55.01874	0.6
55.05510	0.9
63.75329	0.5
63.86752	0.5
67.05492	1.2
69.03391	0.7
69.07061	1.1
70.87032	1.0
70.87406	0.8
71.66301	0.5
78.96609	0.6
79.05493	1.6
80.84423	0.6
81.03416	1.2
81.07039	2.1
83.04987	1.1
85.02876	1.1
91.05477	1.4
93.07042	1.0
95.04935	0.9
95.08592	0.6
95.44144	0.5
97.02885	1.5
97.06547	1.9
101.49621	0.5
102.00074	0.6
105.03439	0.6
105.07020	1.0
107.04964	0.8
107.08631	1.0
109.02905	0.7
109.06534	0.7
109.10140	0.7
110.09647	0.7
111.44153	0.5
115.03941	0.6
119.04938	0.5
119.08620	0.9
120.08089	1.2
121.10134	1.3
125.05965	0.7
127.03916	0.8
131.04988	0.5
131.08556	0.9
133.06586	0.5
133.10120	0.8
135.04411	1.1
136.07617	1.0
137.02362	0.7
137.05977	1.4
138.09077	0.8
145.02876	0.7
145.10106	0.6
147.04411	2.7
147.11731	0.8
149.06009	0.8
151.07529	0.6
161.05894	0.5
163.03891	0.9
165.01859	1.1
165.09181	0.7
166.08665	0.8
167.07133	1.0
175.03972	0.7
177.05467	2.7
178.06274	1.6
179.03259	0.6
179.06950	1.1
189.05341	0.5
190.58987	0.6
191.03334	1.1
191.07076	1.9
195.06404	0.9
204.06505	0.6
205.04953	0.9
207.06448	0.6
213.05515	0.8
215.03360	0.7
219.02924	0.9
237.10432	0.7
257.12772	0.8
258.13379	0.7
267.06433	0.6
268.03482	0.7
269.04407	0.9
283.02344	0.8
283.10849	0.6
285.07632	1.0
287.05737	0.7
287.13834	0.8
295.06091	1.0
307.06104	1.0
311.05182	0.7
312.06345	1.5
313.06992	1.1
314.03790	0.7
315.04794	5.5
319.06006	0.9
329.06668	1.8
330.07370	2.2
331.08289	1.2
339.09186	0.7
339.13147	2.6
344.08926	1.3
345.09729	8.3
355.12952	1.1
361.07001	2.0
367.13147	1.3
373.07016	0.7
375.08752	1.2
377.06577	1.7
404.04901	1.1
405.06070	5.7
413.06601	0.9
417.05832	1.0
423.09000	0.7
425.16043	3.1
426.16183	3.2
427.08142	1.3
427.16217	4.3
429.05594	1.0
433.05475	7.2
434.06058	1.3
435.10858	2.1
443.07571	0.9
445.05441	11.7
446.06259	0.8
447.07275	1.7
448.08078	0.9
449.09015	1.6
450.09689	1.0
455.07715	1.4
457.05252	2.8
459.06436	3.0
460.07648	0.7
461.08420	1.3
463.10187	20.4
464.10913	5.8
471.06586	0.9
473.04517	0.8
473.08804	1.1
475.10196	20.9
476.10895	1.5
485.05032	1.2
485.12375	0.7
487.10675	3.2
489.11560	2.2
490.12564	2.8
495.09650	1.0
495.16800	1.1
497.08521	0.8
503.13101	2.8
504.10461	6.1
505.11127	1.1
513.17816	1.2
517.14716	2.4
518.15625	13.9
520.20825	1.2
527.13885	0.7
528.14990	0.7
529.15112	0.9
532.09747	1.1
533.10852	2.4
537.12189	0.6
545.11060	0.6
546.15222	9.6
549.10620	0.9
552.23315	14.2
560.09283	0.9
561.10254	1.3
577.09845	1.2
578.10449	9.8
579.11230	1.6
599.11938	1.2
601.16998	0.8
611.15381	0.9
611.24445	0.9
613.16296	0.7
629.16528	3.2
639.14587	0.8
647.17267	2.4
657.15857	8.0
657.25897	0.8
675.16986	100.0
676.17072	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.9
53.03934	8.2
55.01854	7.4
55.05505	26.5
56.61766	1.4
57.03426	10.7
57.07051	2.8
58.10257	1.5
65.03927	4.4
67.05493	89.6
68.05816	2.6
69.03419	36.3
69.07054	25.1
71.04987	7.9
71.64072	2.9
79.05477	62.6
81.03405	28.5
81.07045	100.0
83.04982	13.4
83.08607	18.0
85.02893	6.9
85.06529	5.6
87.04462	2.4
91.05465	64.7
91.06043	3.1
93.07027	69.0
95.04953	24.6
95.08589	46.3
97.02878	8.1
97.06512	8.9
97.10118	4.2
99.04426	1.9
99.08078	5.0
103.05479	2.8
105.07011	47.2
107.04966	8.1
107.08575	42.9
109.02863	6.8
109.06496	10.8
109.10147	16.6
111.04414	7.8
111.08051	4.0
113.06041	3.6
114.35159	1.7
115.05463	3.9
117.07003	26.7
119.04916	1.7
119.08568	28.2
121.06477	6.8
121.10131	25.0
123.04472	2.3
123.08039	4.0
123.11700	7.7
125.09615	2.3
127.03897	5.3
128.06198	3.1
129.06973	14.5
131.04965	2.3
131.08562	32.8
133.06459	6.4
133.10106	26.6
135.08023	10.9
135.11665	19.8
137.09598	4.1
137.13289	1.6
141.06982	5.0
143.08554	12.7
145.06485	6.0
145.10077	18.5
147.08055	5.0
147.11679	18.4
149.05962	2.7
149.09605	5.1
149.13222	16.2
151.11179	2.9
155.08549	5.5
157.10129	11.4
159.08005	3.5
159.11670	20.0
161.09593	4.6
161.13242	7.5
163.11153	4.7
165.12672	2.3
167.08575	4.0
169.10112	7.2
171.08066	2.9
171.11670	6.9
173.09618	1.9
173.11908	2.2
173.13173	8.0
175.11148	6.8
175.14754	2.7
177.12692	8.3
181.10129	2.0
183.11659	4.1
184.07356	2.0
185.09579	2.9
185.13297	4.9
187.11095	3.9
187.14775	3.0
189.12724	2.4
191.14249	2.0
195.11809	3.7
195.13806	10.1
197.13257	5.6
199.11227	3.1
199.14819	3.7
201.12648	2.7
203.14111	1.9
207.11676	1.9
209.13293	2.8
211.14850	2.7
213.14754	3.0
219.13844	2.1
223.14828	2.0
229.14233	2.1
259.20584	4.3
261.22101	3.9
269.17407	19.4
273.22037	1.7
275.16541	1.8
275.23569	1.6
277.21585	5.2
283.20242	1.7
285.17065	2.4
291.19394	8.5
301.21500	8.5
315.23227	2.1
319.22656	4.1
327.23032	2.5
335.25662	3.7
339.18002	5.2
339.22775	1.7
341.24780	2.9
345.24423	2.0
351.23062	6.4
353.24771	1.8
369.24182	10.2
387.25195	7.0
393.26300	3.1
395.20700	3.0
443.27679	4.4
461.28928	7.9
510.40814	1.8
625.39606	1.9
637.40698	9.1
655.41742	13.3
657.98468	1.8
673.31256	2.7
673.42914	46.2
674.42688	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	673.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01865	5.7
55.05502	24.0
56.22456	1.3
57.03428	9.6
57.07057	3.5
61.14007	1.4
65.03932	6.2
67.05496	84.6
67.08745	1.5
69.03423	34.5
69.07056	24.1
70.05197	8.0
70.06888	1.5
71.04974	7.3
73.02946	1.6
79.05482	66.1
81.03408	30.4
81.07044	100.0
83.04970	13.0
83.08613	19.5
85.02897	6.5
85.06536	5.2
91.05469	58.9
93.07030	71.3
95.04955	21.3
95.08592	43.3
97.02896	6.3
97.06519	12.1
97.10167	4.4
99.04442	4.1
99.08066	3.0
103.05461	3.1
105.07016	42.7
107.04947	7.4
107.08578	45.4
108.50945	1.4
109.02888	6.0
109.06496	9.5
109.10130	16.9
111.04414	8.2
111.08087	5.3
115.05470	3.8
117.07004	27.2
119.08567	24.3
121.06491	8.8
121.10123	30.0
123.08092	5.0
123.11695	7.4
125.09636	2.6
127.03857	4.1
127.07510	2.3
128.06204	4.3
129.05501	1.5
129.06975	11.8
131.04939	1.5
131.08553	26.2
133.06500	7.2
133.10107	30.4
135.08044	6.8
135.11659	17.9
137.09595	3.5
139.11186	2.8
141.07007	2.5
142.07777	3.0
143.08546	9.8
145.06496	4.9
145.10110	19.0
147.08040	4.1
147.11690	15.0
149.09624	5.3
149.13237	18.1
151.11172	2.9
153.07031	2.1
153.09138	2.1
155.08560	6.2
157.06497	3.2
157.10088	9.0
159.08032	4.4
159.11665	20.3
161.09631	4.7
161.13258	7.1
163.07541	2.3
163.11182	3.0
163.14812	2.1
165.12766	4.4
167.08607	4.7
169.10106	6.7
171.08063	3.0
171.11642	8.7
173.09645	3.6
173.13225	10.6
175.11221	4.5
175.14818	3.0
177.09219	1.6
177.12665	7.2
177.16504	2.0
181.10152	2.4
183.11705	5.5
185.09628	3.6
185.13252	5.4
187.11226	4.7
187.14804	2.5
189.12737	4.2
191.10626	2.0
193.12233	2.9
195.11754	5.2
195.13824	13.2
197.13283	5.3
199.11223	2.1
199.14859	2.8
201.12634	2.0
203.14297	2.0
205.12221	1.7
208.12599	1.7
209.13263	2.3
211.14931	2.2
213.12846	2.7
213.14760	3.4
215.14339	2.5
219.13791	2.5
225.12900	1.9
233.15399	2.3
244.28778	2.2
251.16408	2.0
259.20737	3.9
261.14944	1.7
261.22104	3.2
269.17447	21.0
275.16406	2.2
277.21616	4.5
301.21616	8.7
303.15918	2.1
303.23233	2.3
317.24869	1.9
319.22751	3.5
321.17123	3.8
327.23166	3.2
331.22867	1.9
335.25845	5.4
339.17856	3.6
341.24634	2.2
345.24356	2.7
351.23080	8.6
353.24844	2.2
357.24228	2.8
369.23975	11.5
387.25278	6.7
395.20554	5.3
405.26642	4.2
425.26950	2.7
427.28696	2.1
443.27841	5.2
461.29028	6.6
529.38733	4.4
595.40033	2.7
599.39319	2.0
619.40002	1.8
625.40979	1.8
632.34137	1.8
637.41309	7.9
655.41864	11.3
673.42987	49.8
673.53735	3.1
674.43353	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	673.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01869	7.2
55.05504	24.4
57.03422	6.6
57.07053	4.0
59.04978	1.8
65.03923	6.6
67.05494	83.7
69.03422	40.8
69.07056	25.5
69.97292	7.2
71.01328	2.5
71.04977	5.4
77.03910	1.9
79.05482	67.4
79.89254	1.3
81.03406	29.2
81.07043	100.0
83.04971	12.0
83.08605	18.0
83.52560	1.4
85.02879	5.3
85.06529	3.6
87.04479	1.7
91.05469	56.0
93.07034	69.7
95.04953	20.4
95.08592	45.8
95.09202	2.5
97.02865	6.0
97.06505	7.3
97.10181	3.6
98.21444	1.4
99.00854	1.3
99.04443	4.7
99.08076	1.9
103.05480	1.4
105.07014	41.4
107.04961	6.0
107.08581	39.9
109.02888	6.1
109.06496	9.8
109.10155	15.5
111.04422	6.5
111.08068	5.5
113.06037	1.4
113.09536	1.4
113.11582	1.4
115.05409	3.0
117.07002	24.2
119.08563	27.2
121.06487	7.3
121.10124	26.4
123.08048	6.6
123.11687	7.0
125.09649	1.8
127.03885	4.1
128.06174	3.0
129.05450	1.7
129.06969	13.3
131.04945	2.6
131.08545	29.1
133.06465	4.4
133.10118	26.2
135.08049	4.4
135.11656	17.8
137.09622	3.3
139.07526	1.4
139.11110	1.4
141.06982	3.8
142.07770	2.3
143.08542	12.3
145.06468	3.7
145.10103	16.6
147.08064	4.9
147.11667	18.3
147.12735	2.1
149.05928	2.0
149.09654	3.2
149.13237	17.9
151.07533	2.8
151.11208	2.7
155.08545	5.9
157.06519	2.1
157.10126	12.5
159.08049	4.0
159.11667	20.9
161.09601	3.8
161.13190	8.2
163.07454	1.8
163.11186	3.5
165.06941	1.5
165.09225	1.6
165.12808	2.2
167.08546	2.6
169.10101	5.4
171.08075	2.7
171.11667	8.1
173.09677	3.7
173.13252	8.8
175.11191	5.1
175.14766	2.2
177.12769	5.8
181.10135	2.5
183.11696	5.5
185.09680	2.8
185.13222	4.8
187.11143	3.0
187.14793	3.3
189.12730	3.3
191.10660	1.7
193.10147	1.3
193.12178	1.9
195.11911	2.8
195.13776	15.0
197.13266	4.6
199.11243	2.3
199.14758	3.1
201.12737	2.4
203.14265	2.1
207.11731	1.3
207.13863	1.5
209.13329	3.1
211.11116	1.4
211.14769	1.7
213.12764	2.1
213.14673	2.1
215.14253	1.6
219.13771	2.0
225.16429	2.4
227.14348	2.1
233.15326	2.8
241.15961	1.7
241.19487	2.0
250.80009	1.4
257.15286	1.5
259.20633	3.2
261.22073	2.6
267.16019	4.5
269.17435	20.1
273.18530	1.6
277.14767	1.5
277.21713	5.1
287.19983	1.7
289.21768	3.0
291.23352	1.6
299.20135	1.9
299.23605	1.5
301.21631	10.2
303.23334	1.9
313.21646	1.4
317.24649	1.5
319.22675	4.1
323.23810	2.3
327.23141	3.9
333.21783	1.5
335.25671	1.9
339.18121	2.3
341.24716	2.5
345.24258	2.4
351.23138	6.1
353.24762	2.6
357.24008	1.9
369.24396	13.5
387.25247	7.0
395.20645	2.5
405.26392	3.2
425.27121	1.9
443.27994	5.5
461.28894	7.6
529.38855	3.9
637.40991	6.8
655.41827	8.7
673.42993	42.2
674.43359	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	673.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.2
55.01862	7.9
55.05502	23.0
55.78387	2.1
57.03425	8.8
57.07066	2.8
65.03941	5.8
67.05497	84.1
69.03424	39.3
69.07061	28.8
71.01348	3.3
71.04978	9.5
71.58589	3.6
74.24878	1.8
79.05484	66.8
81.03410	29.2
81.07047	100.0
83.04976	14.4
83.08620	18.3
83.22271	1.9
85.02901	5.8
85.06544	6.0
91.05470	58.9
93.07032	71.2
95.04948	22.7
95.08593	46.8
97.02906	10.6
97.06519	12.6
97.10153	4.7
99.04462	3.9
99.08073	2.7
103.05463	2.9
105.07023	45.3
107.04945	5.9
107.08578	42.4
109.02849	7.3
109.06499	8.8
109.10139	15.6
111.04397	5.8
111.08051	5.2
115.05427	2.9
117.06992	22.6
119.08566	30.9
120.08041	1.9
121.06485	8.1
121.10137	27.4
123.04416	2.1
123.08082	7.0
123.11696	6.5
125.09625	5.0
127.03920	3.7
128.06187	3.3
129.06956	10.6
130.07790	3.0
131.08562	28.3
133.06465	4.7
133.10124	26.8
135.08055	7.3
135.11688	16.2
137.09633	6.0
137.13266	2.7
141.06958	5.2
142.07747	4.4
143.08521	11.3
145.06490	5.0
145.10092	19.2
147.08015	5.1
147.11664	15.6
149.09633	6.1
149.13210	15.1
151.11214	3.7
155.08536	7.8
157.10129	11.1
159.11684	20.2
161.09583	5.9
161.13237	5.9
163.11154	3.2
165.12686	3.3
166.24347	2.3
169.10130	6.0
171.11617	5.6
173.09453	2.8
173.13249	8.0
175.11137	5.1
175.14880	4.6
177.12738	10.1
181.10086	4.7
183.08057	2.3
183.11630	7.0
185.09590	2.9
185.13264	6.2
187.11288	2.9
187.14813	4.2
189.12717	2.6
195.11858	4.5
195.13797	14.7
197.13229	4.7
199.14781	3.6
201.12727	4.3
205.15840	2.1
209.13261	2.6
209.27711	2.1
211.14810	3.0
213.14726	3.0
232.42699	1.9
239.14236	2.5
243.21149	2.1
259.20538	2.5
261.22021	3.3
262.13144	2.0
267.15778	2.6
269.17462	17.0
275.16663	3.8
275.19894	3.0
277.21597	3.5
291.19760	2.8
301.21603	6.9
303.15894	2.4
319.22598	4.0
327.23370	2.6
335.25842	4.7
339.18030	3.5
341.24728	4.2
351.23209	7.3
369.24304	10.0
387.25211	8.1
395.20319	5.4
405.25995	3.8
443.27740	6.0
461.28928	5.6
529.38617	3.7
637.40729	5.7
655.42340	11.0
673.43005	48.6
674.42828	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	673.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09188	0.4
53.03930	0.4
55.01846	0.7
57.03416	1.3
61.00528	0.4
61.02900	1.2
69.03422	6.0
70.72729	1.4
70.98927	0.4
71.04982	0.7
73.02879	1.3
76.61205	0.4
79.05469	0.8
81.03404	2.1
84.08097	0.5
85.02888	5.1
87.04445	0.8
91.05457	0.9
97.02883	3.0
107.04936	1.0
109.02869	1.4
119.04935	0.8
121.06483	0.5
125.06010	0.4
127.03925	0.9
129.33748	0.6
135.04462	0.5
136.07518	0.7
137.05943	0.8
139.07574	0.5
145.02890	0.7
147.04362	0.9
149.05960	1.0
151.07532	0.6
153.05511	0.5
153.95630	0.4
159.08037	0.8
161.05989	0.7
163.03906	1.7
167.07036	3.1
168.07744	0.8
169.06464	0.5
171.08015	0.6
172.05196	0.6
173.06029	0.9
175.03897	1.1
177.05443	3.4
178.06227	4.0
179.07031	1.1
181.05084	0.5
181.08611	0.5
185.05980	0.7
187.07576	0.6
191.07002	1.2
192.07732	0.6
193.04968	0.6
194.09387	1.6
195.06500	1.6
197.05983	1.0
201.05481	0.8
205.04869	3.3
207.06509	0.8
213.05396	1.4
215.07072	0.7
216.04219	0.5
225.05284	0.4
227.06970	0.6
229.04919	0.9
241.04890	1.2
243.02837	0.5
243.06549	1.3
244.03741	1.1
245.04250	0.5
257.04294	1.0
259.05966	0.9
269.04550	1.3
271.02286	1.2
271.06256	0.4
299.05426	0.6
305.08191	0.7
307.06033	0.5
315.05252	0.7
319.06021	0.7
320.06906	0.6
321.07547	0.6
323.08954	0.5
325.03473	0.8
333.07516	1.8
335.08914	0.6
340.05493	0.7
345.07312	1.1
347.05405	0.8
347.08997	0.6
351.08865	1.3
358.55460	0.5
359.08981	0.7
361.06906	1.9
362.07803	0.8
363.08661	1.4
364.05634	0.5
365.06726	0.9
373.06842	1.1
375.08749	1.0
376.09387	0.8
377.10178	1.3
379.08038	3.6
387.08630	0.6
388.09790	0.7
389.06284	3.9
391.07785	2.3
394.10458	0.6
401.06351	0.6
403.08075	0.9
404.08905	1.2
405.09900	2.0
407.07349	4.3
409.12762	3.1
415.08295	0.7
416.08841	0.7
417.05981	1.9
418.06583	0.9
419.07217	9.2
422.09842	1.2
431.07376	0.8
432.08429	1.8
433.09198	3.7
434.09781	1.9
435.06961	14.0
437.12259	5.4
445.05286	0.5
447.10880	1.9
448.11115	0.9
450.09210	3.5
463.06372	7.4
465.11752	44.7
466.12045	3.0
477.07919	1.0
478.08777	3.1
489.12137	0.5
493.11206	100.0
494.11554	5.7
511.12292	86.7
512.12604	4.3
535.11865	0.9
612.14307	0.6
655.16437	2.3
673.16010	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	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.4
53.00297	1.5
53.03934	7.3
55.01863	7.2
55.05502	27.5
56.32777	1.2
57.03424	9.6
57.07059	2.9
59.04987	1.4
65.03922	5.7
67.05495	90.5
69.03420	37.4
69.07059	25.5
69.47663	13.2
71.04971	8.0
73.02913	2.1
76.48698	1.3
77.03911	2.6
79.05482	74.7
80.05820	1.7
81.03403	32.9
81.07045	100.0
82.07387	1.7
83.04962	12.6
83.08604	16.4
85.02878	4.6
85.06521	6.6
87.04464	1.4
91.05470	69.1
93.07031	74.6
94.07348	1.5
95.04957	30.0
95.08002	2.8
95.08591	45.8
97.02879	6.8
97.06514	11.2
97.10136	4.5
98.20719	3.3
99.04435	4.2
99.08088	2.3
99.87747	1.3
103.05450	3.7
105.04520	1.9
105.07011	45.8
107.04957	9.3
107.08578	41.2
107.09193	1.0
109.02857	6.5
109.06502	13.3
109.10140	15.5
111.04414	5.8
111.08060	7.0
113.05981	5.3
115.05439	5.2
117.07005	23.9
119.08560	30.5
121.06485	7.9
121.10114	24.8
123.04414	3.1
123.08052	5.8
123.11683	8.3
123.12422	1.3
125.09618	3.3
127.03895	3.9
128.06180	2.9
129.05457	1.9
129.06975	12.8
131.04883	2.9
131.08549	31.2
133.06493	5.3
133.10104	31.1
135.08052	12.0
135.11685	15.6
137.05946	2.5
137.09612	3.8
139.11192	2.4
141.06992	5.2
142.07744	3.1
143.08548	13.4
145.06473	4.2
145.10103	20.4
147.08003	3.8
147.11653	16.4
149.05901	2.1
149.09627	5.1
149.13255	16.7
151.11214	2.4
153.09038	1.5
155.08527	6.4
157.06468	2.5
157.10083	9.6
159.08061	3.7
159.11678	20.5
161.09544	5.4
161.13290	7.4
161.14384	1.3
163.11156	3.1
165.12695	1.8
167.08553	3.9
167.14290	1.7
168.09145	1.9
169.10085	6.0
171.08098	2.5
171.11653	7.1
173.09665	2.4
173.13190	8.6
175.11157	3.2
175.14909	2.8
177.12723	8.1
181.10054	3.1
183.11708	5.8
185.09616	2.6
185.13264	6.3
187.11156	3.2
187.14816	2.9
189.12680	1.9
191.06752	1.4
195.11954	2.5
195.13768	11.0
197.13234	4.2
199.11160	1.8
199.14798	3.5
201.12654	1.6
203.14392	2.6
209.13234	3.1
211.14845	2.6
213.12830	3.0
213.14746	2.0
217.15825	1.7
221.13339	2.0
225.12718	1.7
229.15935	1.8
231.13792	1.8
233.15329	2.8
249.14772	1.6
259.20526	3.0
261.22131	4.0
267.15878	2.4
269.17432	17.0
273.18454	3.4
275.16391	1.8
275.19977	3.5
277.21567	3.8
282.44016	1.5
291.19504	10.6
301.21646	7.7
303.23038	3.3
313.21536	2.5
315.23074	1.6
319.22589	3.7
327.23395	1.8
331.22675	1.7
335.25699	4.0
339.17938	5.9
341.24384	2.9
345.24100	3.2
351.23267	4.3
369.24200	12.5
371.25824	1.6
375.25360	2.8
387.25259	5.6
395.20654	4.2
405.26260	2.9
433.88559	1.5
443.27951	5.0
461.28793	7.1
529.38824	2.3
597.58307	1.7
637.40955	6.9
655.41864	7.8
673.15521	1.5
673.30682	4.5
673.42804	40.6
674.43292	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	673.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01859	1.7
55.05497	1.8
57.03417	1.1
61.02917	3.8
67.05494	4.6
68.99780	4.0
69.03422	2.6
69.03734	0.4
69.07067	2.4
71.04964	0.6
71.39686	1.0
73.02905	1.6
76.34407	0.5
79.05485	3.8
81.03410	3.8
81.07046	6.0
83.04973	1.2
83.08600	0.7
85.02884	4.9
85.06542	0.6
86.09680	0.9
91.03943	1.8
91.05470	5.2
93.07034	3.9
94.06544	0.6
95.01354	1.0
95.04944	2.1
95.08591	3.5
97.02872	3.9
97.06519	3.2
97.10169	0.8
99.04410	0.5
101.02382	0.5
103.05452	1.0
105.07015	6.3
107.04958	2.8
107.08566	2.5
109.02875	1.4
109.06500	1.2
109.10144	1.7
111.04404	0.7
111.08044	0.7
115.05457	0.4
117.07004	2.2
118.04146	0.6
119.04919	0.9
119.08561	4.4
120.08090	0.6
121.02840	0.7
121.06487	1.8
121.10133	1.5
123.04418	3.8
123.08030	0.5
123.11683	0.8
124.01543	1.4
124.07582	0.7
127.03899	2.5
128.06235	0.5
131.04890	0.6
131.08560	2.2
133.06483	1.5
133.10120	4.1
134.03633	2.5
135.04445	1.4
135.08046	0.9
135.11691	1.2
136.07584	0.6
137.05952	0.8
137.09557	0.9
139.00256	1.5
139.03900	0.9
143.08571	0.9
145.04947	0.7
145.06435	0.5
145.10127	2.7
147.04437	2.6
147.11679	1.0
148.05170	3.5
149.02361	1.2
149.06000	4.0
149.09596	0.6
149.13246	0.6
150.03136	0.5
150.06741	0.9
151.03888	0.8
151.07516	1.0
153.01811	13.6
157.06477	0.6
157.10161	0.9
159.04388	0.6
159.08025	0.5
159.11714	1.5
161.02332	0.5
161.05951	3.4
161.13283	0.6
162.06775	2.0
163.03850	4.4
163.07512	0.5
164.04636	0.6
165.01830	0.9
165.05414	0.5
165.09088	5.1
167.07018	0.6
169.10121	0.6
170.02061	1.7
171.04440	1.0
172.03928	1.0
173.13228	0.7
175.03851	1.2
177.01797	1.6
177.05440	3.5
178.06223	5.6
179.03346	0.9
179.07007	1.6
179.14310	1.1
183.02919	1.3
183.06570	0.5
185.05965	0.9
185.13080	0.5
187.03871	1.0
189.05534	1.0
191.03410	3.5
191.04871	0.5
191.05409	0.4
191.07022	3.7
191.10677	0.5
192.07751	0.8
193.08629	1.8
193.12303	0.5
195.02980	0.5
195.06520	0.9
199.03789	0.9
200.04735	0.7
201.05499	1.3
202.02647	0.5
202.06178	0.5
203.03331	1.0
204.06476	1.2
205.05046	2.1
205.12190	0.8
206.05676	0.7
213.05534	2.2
214.06186	0.5
215.03435	1.1
215.07141	0.8
216.04237	1.7
217.04909	3.4
219.02870	1.4
227.03438	0.9
227.06841	0.7
228.04167	3.0
229.04939	8.3
230.05748	1.7
231.02911	2.3
231.06537	0.6
240.04146	1.3
241.04927	8.1
242.05742	1.2
242.10556	0.8
243.02892	1.3
243.06628	1.0
243.11444	0.7
245.04329	1.0
245.08075	0.9
246.05197	4.1
249.03807	0.7
253.05045	1.5
255.03030	1.4
255.06621	0.8
256.03650	0.9
256.12183	0.6
257.04440	4.5
257.08078	1.2
257.12726	0.6
257.19220	0.7
258.05151	2.1
259.02405	2.0
259.06070	0.7
260.06827	1.1
261.03888	0.9
267.06549	0.7
268.03696	2.6
269.04413	4.2
269.07306	0.6
270.05234	1.9
271.02417	8.4
271.05951	1.8
273.04111	0.8
273.07626	1.7
274.04706	7.1
275.20053	9.8
275.23026	0.6
277.03464	1.5
283.02432	2.3
283.06030	7.9
284.03183	1.4
284.06329	0.6
285.03928	7.2
285.07422	1.6
286.04645	8.6
286.07568	0.7
287.05444	1.4
288.06335	1.0
292.05771	1.9
293.21429	0.5
295.06113	0.6
296.06909	1.0
297.03943	3.4
297.07010	0.7
298.04712	2.0
299.02090	0.7
299.05429	3.5
300.06177	5.5
301.03607	1.9
301.07010	51.2
302.07446	1.6
311.05292	0.6
312.06253	2.3
313.03452	2.6
313.07095	4.3
314.04037	0.7
314.07626	1.0
315.04980	2.7
315.08673	8.5
316.05713	7.0
316.09113	0.5
317.14896	6.7
325.11682	0.9
326.07791	0.9
327.05118	0.9
328.05811	1.1
329.03156	0.7
329.06522	19.4
330.07220	1.4
331.08090	25.0
332.08575	1.4
343.08261	0.9
344.08902	3.9
345.09637	2.5
346.10037	0.8
349.23553	3.8
351.09454	0.5
357.09637	0.8
359.07596	11.6
360.07928	0.5
377.23248	0.6
425.16159	0.8
479.16891	1.0
493.28064	1.6
515.14044	0.6
544.14337	1.1
627.11780	1.2
641.12970	1.4
655.14258	0.9
673.15424	100.0
674.15686	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	673.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01862	0.7
55.05495	0.6
57.03427	0.3
61.02907	0.2
65.03947	0.3
67.05498	0.9
68.99781	2.1
69.03417	0.6
69.07066	0.4
70.84019	0.2
71.01318	0.2
79.05482	1.0
81.03403	1.2
81.03817	0.2
81.07056	1.0
82.00529	0.3
83.04928	0.3
85.02895	1.0
89.03936	0.3
91.05474	1.4
93.07024	1.0
95.01324	0.6
95.04976	0.7
95.08591	0.8
97.02875	1.2
97.06521	0.5
98.20666	0.5
99.04451	0.3
103.01321	0.2
103.05481	0.3
103.72814	0.2
105.07009	0.9
107.01324	0.4
107.04947	1.4
107.08590	0.6
109.02858	0.6
109.06522	0.7
109.10169	0.5
111.04424	0.3
115.05471	0.4
117.07012	0.3
119.04946	0.6
119.08564	0.5
121.02842	0.5
121.06512	1.0
121.10108	0.4
123.00787	1.0
123.04434	1.3
123.11748	0.3
124.01595	0.3
125.05971	0.4
127.03933	0.5
128.06218	0.4
129.06993	0.5
131.04916	0.5
131.08548	0.4
133.02852	0.7
133.06467	0.5
133.10123	0.5
134.03612	1.5
135.04454	1.3
135.08125	0.4
135.11720	0.3
136.05180	0.2
136.07495	0.3
137.02332	0.6
137.05969	0.5
138.09125	0.3
139.00272	0.6
139.03949	0.3
141.01753	0.2
145.02823	0.3
145.06470	0.5
145.10095	0.3
147.04384	1.9
148.05159	2.6
149.02319	3.8
149.05988	1.2
149.19800	0.2
150.03098	0.5
150.06738	0.3
151.03870	0.4
151.07527	0.6
153.01814	11.8
153.05453	0.8
154.02193	0.4
154.06248	0.3
155.04886	0.4
157.06496	0.4
157.10120	0.4
159.04428	0.5
159.11610	0.3
160.05203	0.2
161.02324	0.2
161.05957	2.6
162.03160	0.4
162.06755	1.4
163.03877	4.9
163.05153	0.3
164.04663	8.7
165.01790	0.3
165.05330	0.5
165.09122	0.7
166.02579	0.3
166.04977	0.3
167.03436	0.3
167.07068	1.0
169.01364	0.8
170.02089	2.3
171.04396	0.6
172.03928	0.4
173.06017	0.5
174.06757	0.3
175.03908	0.9
175.07536	0.6
177.01897	0.5
177.05460	4.2
178.02629	0.3
178.06233	6.4
179.03465	0.8
179.06946	1.3
181.04984	0.8
183.04391	0.5
184.05154	0.4
185.04596	0.2
185.05887	1.2
187.03905	0.5
187.07556	0.3
189.05487	0.6
190.06244	0.3
191.03389	1.9
191.06982	3.8
192.04245	0.4
192.07765	0.9
193.08623	0.6
195.06511	0.5
197.05978	0.5
198.09183	0.7
199.03877	1.8
200.04706	0.7
201.01825	0.3
201.05429	1.6
202.06265	0.6
203.03372	1.6
203.06915	0.3
204.06339	0.4
205.04915	1.7
205.08525	0.3
206.05750	0.6
211.03938	0.6
212.04692	0.4
213.01920	0.5
213.05452	2.4
214.06274	1.0
215.03474	0.8
215.07069	0.8
215.11754	0.4
216.04149	1.1
217.04953	2.3
217.08534	0.4
218.05670	0.5
224.04689	0.3
225.05435	0.6
227.03372	1.6
227.07050	0.5
228.04115	2.8
229.04898	3.2
230.02083	0.5
230.05768	0.9
231.02881	2.3
231.06444	1.2
239.03334	0.8
240.04185	1.0
241.04913	6.3
242.02187	0.4
242.05672	2.4
243.02892	0.9
243.06534	1.9
243.08685	0.3
243.09123	0.3
243.11322	2.2
244.03673	0.7
245.04518	1.0
245.08115	0.8
246.05336	1.2
253.04832	1.1
254.02055	0.6
255.02853	3.9
255.06575	1.0
256.03653	1.5
256.06943	0.3
257.04422	2.5
257.08075	1.0
257.12781	0.3
258.05249	0.9
259.02451	0.8
259.06000	1.3
260.06757	0.3
268.03674	2.4
269.04419	5.0
270.02246	0.4
270.05191	3.3
271.02426	5.4
271.06024	4.4
272.03058	0.6
272.06622	0.3
273.03976	2.2
273.07593	1.3
274.04657	2.8
277.03415	0.6
281.04501	0.8
282.01596	0.3
282.05292	0.6
283.02432	2.9
283.06027	4.9
284.03192	2.7
284.06766	1.5
285.03979	5.9
285.07587	2.4
285.12305	3.2
286.04691	3.3
286.07730	0.3
287.05386	2.8
288.06235	0.4
292.05862	0.4
297.03983	5.0
297.07492	0.8
298.04681	4.5
299.01862	0.7
299.05423	7.2
299.08878	0.5
300.02661	1.2
300.06302	5.0
301.03458	6.2
301.07104	19.5
302.04099	0.3
302.07578	1.0
303.08679	0.3
303.13480	0.5
311.05545	1.0
312.06238	6.1
313.03458	1.7
313.07080	7.1
314.04233	1.3
314.07785	0.8
315.04996	7.4
315.08676	10.2
316.05728	5.7
316.09085	0.5
317.06454	0.3
317.14835	1.5
326.07794	0.5
327.05075	0.5
327.08725	0.7
328.05820	0.9
329.03052	0.4
329.06525	11.0
330.07278	19.2
331.08087	19.7
332.08490	0.8
341.06921	0.4
343.08096	2.1
344.08868	13.4
345.09622	8.2
345.13901	0.5
346.09900	0.4
349.03442	0.3
359.07620	2.9
360.08081	0.4
375.05063	0.3
379.04474	0.3
391.04520	0.3
404.04901	0.3
418.06940	0.4
419.03656	0.3
421.05579	0.7
436.07886	0.6
437.08823	0.4
443.45206	0.2
445.05423	0.3
447.03571	0.7
447.17673	0.8
450.09412	0.5
451.10004	0.7
462.06323	0.3
463.06372	0.5
465.18646	0.9
477.08371	1.0
481.07556	0.2
495.08423	0.4
566.11224	0.3
567.05658	0.5
595.05444	0.7
597.08789	0.6
611.09222	0.3
613.06177	0.5
615.11444	0.5
625.09686	1.0
627.12018	0.8
628.09460	0.3
640.11676	0.3
641.12927	1.8
643.10547	2.9
644.10889	0.5
645.14233	0.7
647.95148	0.3
655.14832	0.4
658.13031	0.7
673.15424	100.0
674.15698	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	673.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05497	0.5
55.23878	0.3
56.28954	0.3
66.57179	0.3
68.99773	1.5
69.03399	0.4
69.40559	0.3
70.11981	0.8
70.12373	0.9
81.03409	0.6
81.07062	0.7
85.02898	0.5
86.06040	0.3
91.05469	0.7
93.07025	0.4
95.01315	0.5
95.04972	0.5
97.02870	0.5
97.06477	0.5
105.85061	0.3
107.04951	1.5
109.02891	0.4
119.04939	1.0
121.02890	0.7
121.06483	0.6
123.00776	0.8
123.04453	0.5
132.78604	0.3
134.63020	0.3
135.04416	1.0
137.02316	0.5
147.04343	1.6
149.02315	2.2
149.06018	0.8
151.03857	0.3
151.07570	0.5
153.01810	7.3
153.05423	0.9
159.04448	0.5
161.05965	0.5
162.03104	0.4
162.06685	0.4
163.03899	4.5
164.04646	4.8
165.05472	0.4
167.03487	0.6
167.07120	0.7
169.01398	0.4
171.04369	0.3
173.06015	0.4
175.03896	0.9
175.07542	0.5
176.04460	0.4
177.01839	0.8
177.05437	3.8
178.06227	9.2
179.03442	0.7
179.06995	0.7
181.04933	0.6
181.08626	0.4
183.04549	0.4
185.05943	1.0
187.03929	0.7
188.04691	0.4
189.76360	0.4
190.06206	0.3
191.03397	1.3
191.07008	3.1
192.07729	1.0
193.04985	0.5
195.06604	0.3
199.03922	1.3
201.01941	0.4
201.05464	1.1
203.03426	1.2
203.07118	0.6
205.04921	1.3
207.06520	1.1
212.04802	0.5
213.05418	2.0
214.06261	0.4
215.03397	0.7
215.06885	0.4
216.04057	1.6
217.04939	1.4
226.02760	0.5
227.03377	1.2
227.07016	0.7
228.04158	1.0
229.04906	1.5
230.02135	0.8
231.02846	1.6
231.06586	0.6
232.03517	0.4
237.05400	0.4
239.03406	1.2
240.04083	0.4
241.04990	2.8
242.05717	1.0
243.02890	1.0
243.06349	0.9
244.03668	1.0
244.07291	0.5
245.04446	1.4
245.08096	0.4
253.04959	0.7
254.02193	0.8
255.02896	3.7
255.06494	1.1
256.03650	1.1
256.07181	0.5
257.04379	1.0
257.08063	1.4
258.05344	0.5
259.02457	0.7
259.06018	1.8
260.03241	0.4
267.02917	0.5
268.03699	1.3
269.04385	4.7
270.05194	2.5
271.02399	1.3
271.06000	2.9
272.03006	0.7
273.03961	1.2
273.07599	1.3
274.04813	0.5
281.04449	0.7
282.05310	0.9
283.02362	2.6
283.06024	2.5
284.03146	3.1
284.06796	2.6
285.03937	2.0
285.07571	3.6
286.04718	1.4
287.05457	3.4
295.05945	0.4
296.06628	0.5
297.03922	5.0
297.07251	0.8
298.04608	3.4
299.01843	1.0
299.05383	6.5
299.08859	0.6
300.02606	2.9
300.06180	1.2
301.00116	0.3
301.03412	4.9
301.07083	4.9
311.05536	1.4
312.06219	7.4
313.03421	1.6
313.07071	7.9
314.04230	2.2
314.07587	0.7
315.04999	11.3
315.08517	1.5
316.05722	2.7
316.09085	0.5
317.06583	1.5
326.07648	0.6
327.08649	0.7
328.05768	1.0
329.06546	6.2
329.10220	0.6
330.07278	15.9
331.08020	9.2
343.08026	2.3
344.08847	16.2
345.06201	0.5
345.09634	11.3
359.07748	0.4
595.17206	0.4
613.06104	1.8
615.10864	1.1
625.10583	0.5
626.11090	0.4
643.10760	6.7
658.13086	1.6
673.15442	100.0
674.15753	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	673.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70725	0.3
54.63099	0.3
55.01857	0.3
67.05484	0.9
81.03384	0.4
81.07053	0.5
85.02878	0.4
91.05470	0.7
93.07056	0.5
95.04945	0.4
95.08604	0.3
97.02878	0.5
97.06509	0.4
102.44605	0.3
107.04996	0.5
109.02866	0.4
119.22450	0.3
123.04489	0.3
135.04434	0.4
147.04428	1.1
149.02303	0.3
149.05968	0.8
151.07538	0.8
153.01799	2.4
153.05452	0.5
163.03909	1.0
164.04663	0.4
165.09164	0.4
167.07066	0.4
175.03900	0.4
177.05411	1.4
178.06209	1.3
179.03378	0.8
179.07024	0.8
181.05099	0.4
191.03365	0.5
191.07039	2.3
192.07808	0.4
195.06543	0.4
201.05382	0.3
203.03345	2.6
205.04976	1.5
213.05370	0.3
217.04955	0.6
219.06606	0.4
229.04893	0.5
231.02863	1.8
236.04716	0.3
241.04758	0.6
253.04654	0.4
257.08298	0.5
269.04468	0.9
283.02512	0.4
283.06003	0.5
284.03113	0.7
284.06760	0.4
287.05487	0.5
295.06128	0.4
297.03732	0.4
299.05545	1.2
300.06354	0.4
301.03680	0.6
301.07147	1.7
306.05591	0.4
308.07080	0.4
312.06216	1.9
313.06848	0.6
315.04980	1.2
316.05624	0.5
329.06793	0.4
330.07391	1.1
331.08163	1.1
337.03198	0.5
344.08997	0.9
345.09674	1.1
353.06497	0.6
359.05411	0.4
377.03036	0.4
379.04553	0.7
389.06598	0.4
402.03473	0.4
405.02570	0.4
419.03717	0.6
421.05817	0.4
433.01648	0.6
435.03027	0.3
449.05209	0.6
450.09021	0.4
463.09601	0.3
465.06232	0.4
467.07843	0.5
469.05753	0.4
473.08902	0.4
479.06732	0.4
481.05606	0.4
493.05075	0.4
495.06848	0.7
511.06534	0.5
523.06085	0.8
525.04437	0.3
535.06592	0.5
538.08783	0.3
539.06635	1.1
549.04559	0.6
550.08466	0.3
551.05841	1.5
553.03442	0.3
553.11432	0.4
555.09003	0.6
563.05951	0.6
565.07404	2.1
567.06281	1.4
569.10046	0.5
578.04913	0.4
579.07300	1.6
580.06177	0.4
581.11554	1.5
583.08496	1.2
591.08936	0.4
593.07007	2.2
594.07733	1.5
595.04791	3.0
596.05981	1.1
597.09387	2.7
598.10675	0.6
607.09198	0.8
609.10138	1.9
610.08997	1.3
611.08044	5.2
612.08759	1.2
615.11688	0.3
622.11029	0.4
623.11517	1.1
625.09729	8.3
626.10297	2.3
627.11163	4.8
628.11499	0.5
640.11725	0.8
641.12848	5.2
642.13043	0.9
643.10748	1.1
655.14325	0.7
673.15417	100.0
674.15759	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	673.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
55.05489	0.5
58.91385	0.3
67.05472	0.8
68.99783	1.9
69.03410	0.7
69.07049	0.4
71.04984	0.4
72.47655	0.3
79.05484	1.1
81.03397	0.7
81.07039	0.8
83.04970	0.5
84.08125	0.9
85.02895	0.9
91.05465	0.9
93.07027	0.8
95.01320	1.2
95.04958	0.5
97.02882	1.0
97.06512	0.3
104.40866	0.3
104.98256	0.3
105.07004	0.8
107.04928	2.3
107.08566	0.6
108.08109	0.3
109.02877	0.6
109.10151	0.6
111.04430	0.3
119.04942	1.1
119.08556	0.7
121.06504	0.8
121.10203	0.4
123.00779	0.9
123.04430	0.6
123.08101	0.4
126.59507	0.3
127.03897	0.6
129.07027	0.3
131.08510	0.4
133.02826	0.6
134.03589	0.3
135.04382	1.6
137.02359	0.6
137.05966	0.6
137.09624	0.5
139.03885	0.4
145.06487	0.4
145.10066	0.3
147.04398	1.5
149.02338	1.6
149.05956	1.3
150.03073	0.5
151.07526	0.6
152.45811	0.3
153.01807	8.1
153.05502	0.4
157.06503	0.5
160.05110	0.3
161.05956	0.8
162.03078	0.7
162.06697	0.6
163.03879	8.6
164.04709	2.7
165.05470	0.5
165.09087	2.8
167.03395	0.6
167.07016	1.2
169.01350	0.8
170.02022	0.3
171.04416	0.6
173.05920	0.5
174.06676	0.3
175.03864	0.6
175.07610	0.3
176.04575	0.5
177.01936	0.5
177.05450	5.6
178.06232	24.2
179.03391	0.7
179.06895	1.5
185.05957	1.2
189.05556	0.4
191.03386	1.1
191.07002	2.7
192.07854	1.1
193.01282	0.4
193.04980	0.6
193.08644	0.5
197.05994	0.5
198.06708	0.4
199.03902	1.0
201.01704	0.3
201.05504	1.4
202.06215	0.5
203.03436	0.9
203.07016	0.8
204.04118	0.4
205.04993	1.2
205.12227	0.4
206.05682	0.8
207.06482	0.4
211.03925	0.3
213.05447	2.2
214.06189	0.6
215.03412	1.0
215.07018	1.0
216.04126	2.3
217.01434	0.3
217.04982	1.7
217.08684	0.4
219.06587	0.4
225.05440	0.4
227.03387	1.3
227.07054	1.1
228.04172	1.5
228.07811	0.5
229.04941	1.7
229.08578	0.5
229.38893	0.3
230.05646	0.4
231.02904	1.5
231.06468	1.9
232.03563	0.4
233.08113	0.6
239.03444	1.2
240.04153	0.8
241.04921	3.5
242.05733	1.0
243.02917	0.9
243.06479	1.6
244.03633	1.7
245.04401	1.5
245.08110	1.2
246.08824	0.6
252.04184	0.4
253.04955	0.9
254.02072	0.8
255.02913	6.0
255.06490	1.2
256.03726	1.1
256.07336	0.6
257.04398	1.5
257.07980	3.0
258.05209	1.0
259.06021	2.3
260.03256	0.5
265.04938	0.4
267.02960	0.5
267.06604	0.6
268.03714	1.8
269.04398	5.4
270.01596	0.4
270.05222	2.0
271.02493	1.9
271.05783	2.1
272.03107	0.7
273.04117	0.9
273.07541	1.4
275.19910	0.5
281.04556	0.9
282.01819	0.3
282.05090	0.7
283.02408	3.3
283.06021	4.6
283.08917	0.5
284.03195	3.2
284.06815	3.4
285.03983	2.4
285.07593	9.2
286.04636	1.7
287.02216	0.4
287.05447	5.7
287.08746	0.5
293.04181	0.4
295.05927	0.5
296.03403	0.5
296.06705	0.6
297.03885	4.8
297.07224	0.6
298.04712	3.5
299.01929	1.1
299.05423	7.7
299.08862	0.6
300.02637	4.1
300.06198	1.0
301.03455	3.8
301.07114	4.2
302.04279	0.5
302.07983	0.8
303.05060	0.4
311.05441	2.5
312.06247	8.8
313.03549	0.8
313.06995	13.5
314.04184	3.9
314.07635	0.7
315.04977	23.7
315.08340	1.3
316.05692	2.3
316.09155	0.7
317.06488	1.6
327.08716	0.7
328.05887	0.6
329.06525	7.6
329.10245	0.5
330.07288	20.8
331.08054	9.5
343.08209	2.3
344.08871	32.0
345.09634	29.8
346.10043	1.2
407.03836	0.5
493.07675	0.4
538.25775	0.3
587.11499	0.5
595.04443	0.4
601.17548	0.4
613.05829	1.8
615.11450	1.5
625.09692	0.8
627.11365	0.5
641.12903	0.4
643.10907	6.2
655.14099	0.5
658.12939	1.3
673.15405	100.0
674.15698	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	673.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27531	0.4
69.03410	0.7
70.06583	0.8
73.02930	0.3
76.80513	0.3
79.05465	0.5
81.03421	0.6
81.07021	0.5
85.02880	0.7
86.09709	0.8
90.22752	0.3
91.05465	1.0
93.07037	0.6
95.04949	0.5
97.02887	0.9
105.07027	1.0
105.66015	0.4
107.04932	0.7
109.02859	0.5
109.10120	0.5
113.55750	0.5
119.04910	0.6
121.10166	0.5
123.04435	0.8
127.03930	1.7
129.10275	0.4
133.10117	0.8
135.04401	0.5
137.02307	0.7
137.05986	1.1
139.07466	0.4
145.02808	0.8
147.04399	1.4
148.05188	0.5
149.05984	1.6
151.03937	0.5
151.07532	1.9
153.01807	3.4
153.05460	0.4
163.03897	1.6
163.07272	0.4
165.05516	0.6
167.07040	1.1
175.03995	0.5
177.05446	4.1
178.06223	1.5
179.03365	0.9
179.07047	0.5
181.08604	0.8
191.03377	1.2
191.07088	1.8
195.06500	1.3
205.04938	5.3
213.05606	0.7
229.05075	0.4
241.04892	0.7
243.02864	0.4
243.06645	0.5
253.04865	0.5
269.04330	0.7
297.03885	0.8
301.07040	0.6
305.04364	0.9
307.05997	0.6
312.06308	0.6
313.03302	0.6
314.03998	0.5
315.05042	1.1
319.06067	0.6
330.07614	0.7
331.08090	0.7
333.03979	0.9
334.04849	1.1
335.05435	0.7
335.12570	0.5
339.04993	0.5
345.09674	1.3
347.05374	0.7
347.08920	2.2
349.03433	0.4
349.07169	0.7
351.04944	0.9
351.12256	0.5
358.04825	0.4
359.05484	0.6
365.06357	0.6
373.03311	0.8
373.07425	0.6
375.04868	0.7
377.02704	0.6
379.11749	1.8
387.04938	0.7
388.06024	0.5
391.08194	0.9
393.06125	0.8
399.04733	0.5
405.06082	0.6
407.07779	2.0
417.05667	0.7
421.06247	0.7
433.06451	0.6
435.07437	0.7
437.06873	0.7
440.04785	0.5
445.05356	0.7
447.10983	0.5
449.07977	0.5
459.07312	1.4
463.09421	0.5
465.11609	0.5
467.07840	0.8
471.07291	0.6
473.08453	1.2
477.06680	0.5
489.11856	1.1
495.07013	1.0
509.08246	0.5
521.08588	0.5
523.06482	0.7
535.10229	0.6
537.08429	0.6
538.09491	0.5
539.10028	0.8
541.11694	0.7
549.07922	0.8
553.11243	0.8
555.09424	1.0
563.07739	0.4
565.07690	0.9
569.10632	0.7
579.10217	0.7
581.10547	1.2
583.08337	0.6
584.13330	0.7
585.13440	0.8
593.06976	0.5
597.10645	1.3
607.09949	0.7
611.08136	1.6
613.13562	0.6
625.09644	5.5
626.09949	0.7
627.11688	0.5
640.11987	0.9
641.12964	4.3
645.12445	0.6
655.14355	8.2
656.15210	0.8
673.15393	100.0
674.15649	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	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05503	4.8
57.03429	4.3
57.07067	37.6
61.02618	1.1
61.02917	16.9
65.03926	0.8
67.05149	0.8
67.05495	15.3
69.03407	2.5
69.07057	9.3
71.04953	0.9
71.08621	31.4
73.02915	5.6
75.04467	2.5
79.05468	3.0
81.03402	2.4
81.07047	19.5
83.08604	13.1
85.02892	18.3
85.06525	1.5
85.10168	18.2
89.06033	0.9
91.03946	14.5
91.05470	3.5
93.07040	3.1
95.04951	2.0
95.08592	27.3
96.08887	0.9
97.02872	8.5
97.06507	1.0
97.10144	5.9
99.04406	0.9
99.07967	0.7
99.11696	1.0
105.07014	2.4
106.07336	0.6
107.04942	1.1
107.08565	1.9
109.02807	1.0
109.06520	1.2
109.09431	0.9
109.10136	12.7
110.71065	0.6
111.11670	1.5
115.03947	0.9
117.06975	1.3
118.07319	0.6
119.08553	1.9
121.10152	1.1
123.11686	5.3
125.13250	0.9
127.03895	6.3
131.08556	1.6
135.11597	0.7
137.13235	2.6
139.14764	0.8
139.18842	0.6
143.08519	1.4
145.04944	6.8
145.14291	0.7
151.14783	1.2
159.08058	0.6
163.05991	11.0
169.10060	0.9
221.22635	1.3
229.92645	1.1
236.14758	0.6
239.23669	24.2
257.24771	4.8
308.31915	0.7
313.27313	100.0
314.27740	3.1
331.28387	33.6
332.28601	0.7
636.39526	0.7
654.40051	1.1
672.31049	1.2
672.41449	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	671.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01856	8.4
55.05503	26.5
57.03423	11.3
57.07061	3.9
61.02975	1.8
65.03943	5.5
67.05495	70.2
67.05849	3.9
68.05857	2.4
69.03419	26.9
69.07056	26.8
71.04986	7.7
71.60637	3.7
79.05482	62.5
79.05941	3.8
81.03405	23.6
81.07047	100.0
83.04961	13.0
83.08614	16.3
85.02905	6.2
85.06529	3.8
91.05467	65.2
93.07033	70.7
95.04958	21.1
95.08592	45.6
97.02885	7.4
97.06518	9.4
97.10181	7.6
97.89564	1.9
99.04467	3.6
99.08109	2.3
103.05457	2.7
105.04467	3.0
105.07016	52.8
107.04929	17.5
107.08580	35.8
109.02890	6.5
109.06490	12.0
109.10150	14.7
111.04458	7.9
111.08094	5.3
112.35037	1.7
115.05423	5.0
117.07001	25.5
117.49882	1.7
119.08569	34.3
121.06519	11.2
121.10126	23.0
123.08091	5.5
123.11716	8.5
124.05505	1.9
125.06042	2.5
125.09647	3.5
127.03918	4.8
128.06197	9.8
129.07001	21.8
130.07803	4.2
130.46249	1.9
131.04922	2.6
131.08557	34.5
133.06468	5.5
133.10109	23.4
135.04448	2.8
135.08090	10.7
135.11656	13.1
137.05962	2.3
137.09605	4.4
137.13277	2.6
141.06975	11.5
142.07791	5.8
143.08549	22.2
145.06448	9.9
145.10114	22.5
147.08060	8.5
147.11673	23.1
149.06111	2.1
149.09589	5.2
149.13248	11.1
153.05463	1.7
154.07799	3.9
155.08533	17.2
157.06503	5.1
157.10124	20.5
159.08092	6.0
159.11681	16.6
161.06023	2.9
161.09625	4.4
161.13257	6.5
163.11197	3.4
165.06987	4.6
165.12746	7.7
166.07648	2.1
167.07053	5.1
167.08589	9.7
167.14334	2.1
168.09489	3.0
169.06477	2.3
169.10094	15.4
171.08017	6.1
171.11665	16.4
173.09641	6.5
173.13268	10.8
175.11134	3.3
175.14839	2.4
177.12773	6.9
178.06252	2.4
179.08600	5.4
181.10016	9.1
182.07059	2.6
183.08044	3.4
183.11650	12.6
185.09659	7.8
185.13252	9.4
187.11201	4.2
187.14764	4.4
189.12738	3.1
193.10162	4.6
193.12239	2.0
195.08144	2.3
195.11757	10.9
195.13829	5.5
195.33118	2.2
197.09618	4.7
197.13277	7.8
199.11160	5.7
199.14784	2.9
201.09160	3.2
201.12737	4.6
207.11717	5.1
209.13338	7.7
211.11214	2.7
211.14911	7.3
213.12807	4.5
213.14754	2.1
215.14384	3.7
219.11739	3.1
221.13336	5.2
223.14786	4.4
225.12811	2.4
225.16260	2.7
227.14398	4.1
237.12720	3.2
239.14297	4.1
239.18028	2.0
241.19495	2.2
257.19080	5.7
259.20593	6.3
267.15918	5.0
269.17435	15.1
271.20615	3.7
273.18478	3.7
275.20178	3.9
283.02332	2.0
285.17038	2.1
289.18173	2.2
291.19498	3.9
301.21573	5.4
313.21478	3.0
317.21313	2.1
321.22086	2.8
323.23853	2.0
325.21512	2.6
333.22034	3.0
337.21561	2.7
339.23264	3.7
345.09671	6.5
346.10016	2.4
349.21729	7.9
351.23267	8.5
355.22665	2.3
357.24213	2.4
367.22711	12.6
369.24548	4.1
385.23920	8.4
395.20959	2.5
441.26306	6.1
459.27530	4.3
525.34857	2.4
527.37921	4.0
543.35779	2.8
575.35773	2.1
593.38373	2.9
607.39874	2.4
617.38055	3.2
621.23102	2.7
623.39246	6.7
635.39240	25.4
639.24023	3.2
653.25220	2.4
653.30188	2.4
653.40607	26.0
671.25348	12.0
671.41443	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96182	0.4
53.03934	0.8
55.01860	0.7
55.05492	0.7
63.65875	0.3
65.03913	0.4
67.05473	1.2
69.03432	2.0
69.07055	3.2
69.33852	0.5
69.34261	3.5
71.04982	0.7
79.05466	2.0
81.03407	0.9
81.07051	1.3
83.04977	6.3
85.02891	1.7
91.05467	2.2
93.07034	1.8
95.04967	2.2
95.08611	0.9
97.02882	22.3
97.06516	5.9
99.04459	1.4
101.06019	0.6
105.07027	5.1
107.04948	1.3
107.08579	1.5
109.02849	0.7
109.06488	1.3
111.04431	0.8
113.06004	0.5
115.03902	0.4
115.05389	0.6
117.06995	1.3
119.04931	0.6
119.08568	1.3
121.06496	4.1
121.10146	0.5
123.04407	0.7
123.41367	0.3
125.05977	10.3
127.03902	100.0
128.04225	1.4
128.06203	1.0
129.06995	1.0
130.07770	0.8
131.04961	0.4
131.08559	3.0
133.06471	1.2
133.10135	0.5
135.04466	0.6
135.08023	0.7
137.05984	1.8
139.07523	0.5
141.05498	0.6
141.06891	0.5
143.07021	7.3
143.08549	1.3
144.09335	0.7
145.06471	1.5
145.10110	6.5
147.04448	0.4
147.08034	0.9
147.11682	0.6
149.05984	0.6
151.07539	1.4
155.08542	0.8
157.06549	0.7
157.10089	1.4
158.07217	0.8
159.08047	1.7
159.11653	2.3
161.05966	0.7
161.09610	1.0
162.77527	0.4
163.07587	1.0
163.11150	1.1
169.08723	0.5
169.10036	0.8
171.08046	0.9
172.08820	1.0
173.09607	7.4
175.07506	0.8
177.05450	0.6
177.09181	0.6
177.12790	1.3
179.08405	0.5
185.09618	0.9
187.07491	1.3
187.11157	4.8
189.09085	1.1
189.12700	0.4
191.10628	2.3
195.11681	0.5
197.09679	0.8
201.09137	0.6
203.07030	0.5
203.10728	0.8
205.08601	2.1
205.12209	4.9
209.11743	1.1
213.12750	0.5
215.07082	0.9
215.10637	5.6
223.11386	0.5
227.10612	0.7
231.13808	0.6
233.08040	1.2
233.11674	3.9
237.12717	0.4
241.12299	0.6
251.12868	1.1
255.13701	0.9
259.13312	1.4
265.12268	0.5
269.11768	1.4
271.06177	0.6
277.86115	0.4
281.89206	0.4
283.13272	2.7
287.12866	1.1
289.09180	4.6
293.11536	1.9
301.14410	1.4
311.12793	3.6
321.15671	0.4
329.13858	3.9
345.09702	0.8
347.14886	4.7
365.15607	0.4
383.16849	1.2
505.10953	0.9
509.14374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3064
Annotation	Moluccensin E
Peak:m/z	Relative Intensity
52.16952	0.5
53.03949	0.6
55.01868	0.9
55.05498	2.0
55.15034	0.5
65.03902	0.5
67.05499	4.1
68.07555	0.5
69.03424	1.7
69.07059	1.5
70.67323	1.1
79.05483	3.9
79.13638	0.6
81.03408	1.8
81.07039	4.9
83.08614	1.1
84.19135	0.5
87.61016	0.6
91.05466	4.2
93.07014	3.5
95.04953	1.8
95.08605	2.5
97.06519	0.6
97.10172	0.7
105.07037	3.8
107.04985	1.1
107.08588	2.6
109.02875	0.8
109.06496	0.7
109.10159	1.6
117.06992	1.3
119.08575	2.0
121.06472	0.5
121.10142	2.2
125.94546	0.5
129.07024	1.5
131.08556	2.0
133.10155	1.8
135.11719	1.4
139.78069	0.5
141.06993	1.0
143.08542	1.0
145.06563	0.6
145.10104	1.3
147.08054	0.7
147.11699	1.8
149.09618	0.8
155.08540	1.2
157.10173	1.6
171.11598	0.7
173.09616	0.7
175.11209	0.5
175.76329	0.6
183.11700	0.7
184.07472	0.7
195.11687	0.8
227.11838	0.6
248.43523	0.7
291.19614	0.9
315.04999	0.9
330.07556	0.6
335.25784	0.7
345.09674	3.1
405.16614	0.9
407.18607	0.8
419.18921	0.8
420.19241	1.1
421.20358	1.3
423.21680	1.0
433.20303	2.2
434.21365	0.8
435.21887	2.0
436.18344	0.9
437.19403	1.0
447.17093	0.8
447.22357	1.3
448.23102	0.9
449.19211	3.5
450.20374	2.0
451.21207	1.3
461.19757	1.8
462.20422	1.3
463.21301	3.1
464.21997	0.9
465.23065	0.9
475.21777	1.4
476.22217	1.3
477.18863	1.1
478.19620	1.0
493.22107	1.6
495.20679	0.6
497.25394	1.1
507.23929	0.8
521.21814	1.1
523.23944	1.5
524.24274	1.4
525.24878	1.2
535.24329	0.7
537.24976	3.9
549.24792	1.1
551.26733	2.6
561.24860	0.7
563.26660	3.9
563.34589	0.9
565.24792	2.7
579.25659	1.1
583.29205	1.1
593.27441	1.1
597.27472	1.5
609.26703	1.1
611.28479	10.3
623.28723	3.6
625.26630	1.8
635.39923	0.8
639.28101	2.0
653.28912	1.6
653.40057	1.3
671.30621	100.0
672.30920	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	671.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01865	0.7
55.05497	0.6
57.03405	0.4
61.02914	0.4
67.05490	1.2
69.03419	2.1
69.07055	2.0
79.05476	1.4
81.03402	1.3
81.07038	1.0
83.04964	3.3
84.08131	0.5
85.02891	2.8
91.05454	2.3
93.07027	1.3
95.04950	1.1
95.08578	1.0
97.02879	10.4
97.06520	3.6
99.04443	0.8
105.07019	2.6
107.04932	0.7
107.08590	0.9
109.02860	1.1
109.06510	1.0
111.04379	0.4
115.38673	0.4
117.03377	0.3
117.06987	1.1
119.04942	2.0
119.08557	1.6
121.06464	2.2
121.10101	0.5
122.98987	0.3
123.04416	0.7
125.05972	5.1
127.03897	100.0
128.04257	1.0
128.06232	0.4
129.06969	1.2
131.08566	2.0
133.06470	0.7
133.10110	0.7
135.08069	0.3
137.02298	0.3
137.05962	1.7
137.09584	0.6
143.07033	3.5
143.08575	0.6
145.02852	0.7
145.04932	0.3
145.06425	0.5
145.10103	5.7
147.04381	6.0
147.05469	0.5
147.08012	0.6
147.11673	0.6
149.05963	0.6
151.03897	0.3
151.07539	1.1
155.08589	0.7
156.09297	0.4
157.10120	0.4
158.07234	0.7
159.08012	0.7
159.11644	2.2
161.06006	0.4
161.09639	0.4
163.07556	0.6
163.11169	0.9
165.09138	0.4
169.10150	0.6
172.08809	0.3
173.09613	3.2
175.07506	1.1
177.05481	1.4
177.12695	1.0
178.01471	0.3
179.08478	0.3
185.09552	0.7
187.07608	0.6
187.11165	3.7
189.09084	0.4
191.06958	0.4
191.10646	1.6
195.02887	0.3
197.09650	0.4
199.07465	0.4
203.07202	0.4
205.08656	0.4
205.12141	3.2
207.06459	0.3
209.11687	0.6
215.10635	3.6
233.11682	2.6
239.09094	0.5
241.12221	0.4
251.12779	0.7
265.12540	0.4
269.11618	0.6
279.44055	0.3
283.13321	1.0
285.07498	0.4
287.05627	0.3
287.12720	0.4
289.09164	3.5
293.11670	0.5
301.14365	0.6
311.12845	1.0
315.04770	0.4
315.08191	0.4
327.08362	0.4
329.13574	0.7
344.13364	0.3
345.09619	0.6
347.15073	0.7
354.99371	0.4
383.16785	0.5
419.98764	0.4
447.06921	0.4
474.70926	0.4
477.11884	0.7
509.14438	1.0
526.21661	0.3
644.95789	0.4
671.16290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01863	0.5
57.03406	1.0
61.02906	0.8
65.03905	0.6
67.05458	0.6
69.03419	3.8
70.81492	1.1
71.01323	0.4
71.04945	0.5
73.02889	0.7
79.05441	1.1
79.69864	0.4
81.03402	1.0
81.06994	0.5
83.04948	0.7
85.02889	6.5
87.04438	0.5
89.03886	1.2
91.05456	3.3
92.45248	0.4
93.07006	0.9
95.04965	0.6
97.02883	3.8
97.06494	0.6
99.04431	0.7
101.97945	0.4
103.05447	2.8
104.90092	0.4
105.03340	0.5
105.07026	2.7
106.04135	0.9
107.04915	0.7
109.02833	1.3
115.05428	0.8
117.03371	2.9
117.06963	0.4
117.71973	0.5
118.04105	1.2
119.04951	2.3
120.02674	0.4
121.06493	3.0
123.00727	1.6
125.05950	0.8
127.03902	27.2
128.06151	0.5
130.04121	1.0
131.04938	2.6
131.08504	0.6
132.05675	1.0
133.06439	1.6
134.03595	1.8
135.04315	0.5
137.02257	0.6
137.05946	0.9
145.02841	2.2
145.04886	0.7
145.06433	0.6
145.10092	1.1
147.04385	2.9
148.05118	0.8
149.02260	0.8
149.05965	2.8
151.03864	0.5
151.07507	1.0
152.01022	1.2
153.01807	1.2
155.04906	4.7
159.04324	0.5
159.11671	0.4
161.05998	3.0
167.07039	3.2
170.02000	0.6
172.05133	0.9
173.05975	0.7
174.27487	0.5
175.03879	3.2
176.04691	1.7
177.05464	3.6
178.06218	1.2
179.07016	0.6
182.09332	0.5
183.04410	5.0
184.05209	0.5
185.05977	1.0
187.07518	1.5
187.11209	0.5
191.07025	4.2
192.07773	1.0
193.08572	2.5
197.05963	0.5
200.04681	1.5
201.05475	0.4
207.06509	5.7
209.08051	0.7
210.08847	1.6
211.03937	3.5
212.04532	0.5
213.05331	0.6
225.05412	1.4
228.04094	2.1
229.04866	1.4
230.05528	0.8
239.03384	4.9
240.04239	0.7
241.04909	2.2
243.06575	0.7
245.08058	0.6
253.04866	0.7
255.02934	1.0
256.03625	9.2
256.07422	1.0
257.04132	0.8
267.02835	1.0
268.03696	0.7
269.04422	1.4
271.05978	79.4
272.06259	2.0
285.03918	1.1
285.07251	0.6
286.04651	3.4
289.09137	0.6
297.07413	0.8
299.05469	37.6
300.06207	8.7
301.07025	17.6
302.07315	0.8
303.04932	6.4
311.05548	0.5
318.35867	0.5
331.07779	0.5
339.12109	1.0
355.08282	0.5
479.13351	3.9
491.13324	18.5
492.13400	0.8
509.14395	100.0
510.14661	5.4
551.15601	1.1
671.19592	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	671.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41743	0.3
53.03932	0.7
55.01844	0.5
55.05498	0.7
58.22113	0.3
67.05487	1.3
69.03422	2.1
69.07057	1.7
70.06555	0.5
71.04968	1.0
71.62242	0.6
79.05474	1.2
81.03393	0.8
81.07037	1.3
83.04508	0.5
83.04971	3.6
84.08095	0.4
85.02888	2.8
85.06541	0.4
91.05464	2.5
93.07027	1.5
95.04961	1.2
95.08579	0.7
97.02879	11.3
97.06514	2.6
99.04436	1.1
101.06030	0.4
102.71671	0.4
103.05467	0.6
105.07021	4.2
107.04935	1.2
107.08549	1.2
109.02867	1.2
109.06502	0.5
109.10114	0.5
115.05533	0.3
117.03294	0.4
117.06987	1.3
119.04905	1.9
119.08562	0.9
121.06512	2.3
121.10108	0.8
123.08051	0.3
125.05957	4.8
127.03894	100.0
128.04247	0.8
129.06952	0.8
131.08548	1.9
133.06473	0.7
133.10094	0.9
135.08047	0.6
135.11623	0.4
137.05940	2.7
137.09596	0.4
141.07021	0.5
143.07033	3.1
143.08508	0.9
144.09343	0.5
145.02802	0.6
145.06467	1.1
145.10117	4.6
147.04385	8.9
147.08073	0.4
149.05943	0.7
149.09563	0.4
151.07538	1.2
157.10120	0.6
158.07222	0.7
159.08040	1.0
159.11685	2.1
161.09485	0.7
163.07541	0.5
163.11096	0.8
165.05498	0.4
165.09096	1.0
167.07031	0.4
167.08638	0.3
169.10052	0.6
171.07971	0.3
172.08832	0.4
173.09636	2.8
175.03882	0.3
175.07455	0.7
177.05406	1.7
177.09019	0.3
177.12712	1.0
181.38963	0.4
183.08034	0.4
187.07506	0.7
187.11121	3.1
189.09033	0.8
191.07039	0.3
191.10661	1.3
195.02858	0.6
197.09549	0.4
205.12196	3.0
209.11737	0.5
215.06947	0.4
215.10634	4.5
219.02893	0.5
233.11655	2.8
251.12672	0.9
259.13486	0.4
265.12231	0.4
269.11719	0.4
271.06012	0.4
283.13254	0.9
285.07620	0.5
289.09113	3.6
290.09152	0.3
293.11777	0.5
311.12567	0.8
327.08585	0.6
329.13757	0.8
332.08432	0.3
345.09665	0.7
347.15039	0.3
383.16772	0.4
447.07095	0.7
477.11902	0.5
509.14328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91532	0.1
55.01886	0.2
56.51966	0.1
68.99760	0.2
69.03398	0.2
70.06581	1.1
70.89022	0.4
83.01307	0.3
84.08096	0.3
85.02882	0.2
86.09653	0.2
88.87389	0.1
91.05437	0.2
97.02861	0.4
97.37874	0.1
127.03876	0.5
131.04883	0.3
133.06427	0.1
137.02313	0.2
137.05940	0.4
138.52318	0.1
145.02803	0.3
145.06419	0.2
145.98540	0.1
147.04373	0.2
151.07399	0.1
155.04886	1.2
159.04384	0.2
161.06001	0.1
173.05934	0.3
177.05461	0.4
178.02580	0.3
179.03343	0.2
183.04384	1.3
186.03136	0.2
187.03896	0.9
188.04681	0.1
191.53716	0.1
199.03868	0.2
201.05438	1.4
202.02472	0.7
203.03323	0.3
211.03880	1.9
214.02579	0.9
215.03329	0.5
216.04059	0.2
217.04997	0.8
218.02104	0.4
219.95938	0.1
225.01674	0.2
226.02515	0.2
228.04041	0.1
229.01318	0.2
229.04910	3.7
231.02811	0.2
239.03325	0.2
241.04955	0.6
242.02080	2.7
243.02721	0.2
247.02394	0.3
255.02864	0.3
257.04440	4.5
260.03098	0.7
261.03915	0.3
270.01544	9.4
271.02145	0.5
274.04733	0.3
285.03894	7.9
288.02603	0.8
298.01047	2.1
303.04886	0.2
313.03369	100.0
314.03745	2.6
317.06454	1.5
337.10641	0.1
345.06009	11.1
346.06030	0.1
377.08612	17.4
378.08749	0.3
447.10861	0.1
483.76926	0.2
509.14651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24049	0.3
50.85264	0.3
55.05503	0.3
56.72210	0.3
57.77618	0.3
67.05482	0.8
67.73335	0.3
70.36513	0.7
75.04477	0.4
75.51927	0.2
79.05466	0.7
81.03387	0.3
81.07030	0.6
86.06044	0.2
91.05466	0.3
93.07048	0.7
95.04929	0.3
96.04383	0.3
105.07004	0.3
119.08597	0.4
133.10085	0.3
145.10089	0.3
204.06578	0.4
211.08636	0.3
288.73767	0.3
304.36713	0.3
363.15991	0.5
376.16742	0.7
377.17642	1.0
379.18948	0.6
389.17657	0.3
390.18503	0.8
391.15149	0.7
391.19305	1.2
392.19974	0.9
393.20786	3.5
401.17645	0.4
403.19458	0.6
404.15799	0.5
405.16489	2.8
405.21039	0.9
406.17575	0.8
406.22003	0.6
407.18652	1.0
417.16382	0.4
418.17395	0.7
419.18454	3.8
420.19464	2.8
421.15164	0.2
421.20123	5.4
421.25214	0.4
422.21036	0.5
429.16992	0.4
431.18781	0.6
432.19635	0.5
433.16187	1.2
433.20398	2.0
434.22122	1.3
435.17612	0.8
435.22614	0.5
444.19437	0.7
445.20428	0.9
446.21066	0.6
447.17398	3.3
448.18799	3.4
449.19653	6.0
450.20087	0.4
461.19922	2.9
462.20728	1.5
463.22586	1.6
464.22290	0.6
465.23489	0.4
472.18436	0.4
473.19815	0.9
475.21158	1.4
476.18143	1.5
477.18808	2.5
478.19775	0.7
479.25055	0.3
489.18933	2.2
490.20096	0.8
491.20422	2.2
492.21619	0.6
493.22464	0.6
495.24124	0.5
503.20798	1.6
504.21237	0.6
506.23108	0.5
507.24057	5.0
509.21710	0.6
521.18176	0.5
521.25452	1.1
522.22571	0.5
523.23352	1.2
531.23309	0.4
535.23352	10.8
536.24066	0.8
549.25006	3.2
559.23187	1.5
561.25262	0.4
563.22852	18.5
564.23047	1.5
567.26361	1.3
577.24402	4.8
578.24957	1.0
579.26501	1.4
581.27606	2.1
591.21594	0.6
595.25470	4.9
609.26953	5.8
610.27686	0.4
619.25513	0.7
623.24963	5.1
637.26617	1.6
641.29498	1.9
669.29089	100.0
670.29462	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	669.2906
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05504	0.5
57.07089	0.4
67.05496	1.3
71.08627	0.5
71.58653	0.5
75.31020	0.4
79.05511	1.0
81.07057	1.1
83.04957	0.7
91.05463	0.7
93.07036	0.8
95.04964	0.8
95.08596	1.3
105.07024	0.4
107.04987	0.6
107.08637	0.6
109.10194	0.6
119.08553	0.5
147.11641	0.6
148.74713	0.4
178.89922	0.4
184.31740	0.4
197.10789	0.5
243.69806	0.4
246.39984	0.5
311.63641	0.4
377.17688	0.7
378.18652	0.6
379.19193	0.8
391.19131	1.4
392.20053	0.5
393.20654	1.1
404.20029	0.5
405.16522	2.4
405.21603	0.7
406.17346	0.8
407.22662	4.2
418.17838	1.5
419.18442	4.0
420.19208	1.0
421.20306	3.5
423.21771	0.8
432.19473	0.6
433.20374	12.7
434.21140	5.3
435.21902	5.6
436.22672	1.0
445.20526	0.6
446.21371	0.9
447.22083	1.5
448.18558	1.1
449.19589	7.4
450.19907	0.6
461.19830	1.2
462.20593	1.2
463.21356	3.8
464.22083	1.3
477.22849	0.9
481.22125	0.7
489.22473	0.5
493.22186	1.4
495.23935	1.4
505.22418	1.3
507.23718	0.7
508.21542	0.6
509.21747	1.0
521.26135	6.3
522.22345	3.7
523.23303	3.4
535.23462	2.1
549.25000	4.6
550.26044	0.9
565.24817	1.1
567.22369	1.8
579.25629	0.8
580.26550	1.0
581.27875	2.2
609.27014	15.6
610.27704	0.9
637.26276	0.8
651.27411	0.7
669.29120	100.0
670.29456	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	669.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99709	0.3
67.05488	1.1
69.07068	0.4
69.40700	2.8
71.26543	0.3
71.95342	0.3
76.50098	0.3
79.05481	1.1
80.73550	0.3
81.03431	0.6
81.07050	0.9
91.05473	0.9
93.07051	0.6
95.04900	0.5
95.08609	0.4
102.20820	0.3
105.07050	0.7
107.08570	0.7
117.06968	0.4
119.08624	0.4
120.19973	0.4
128.29233	0.3
145.10092	0.4
153.54306	0.4
330.15900	0.4
377.17673	1.0
378.18863	0.7
379.19141	0.9
380.20001	0.3
381.51736	0.4
389.17593	0.6
390.18246	0.4
391.19116	1.3
392.19955	0.9
393.20859	1.7
403.19540	0.4
404.20169	0.5
405.16461	3.1
405.21094	1.1
406.17975	1.2
407.22583	5.4
408.22946	0.8
414.73297	0.3
418.17551	0.7
419.18146	3.1
419.23462	0.5
420.19217	2.7
421.20193	4.2
422.21506	0.4
423.21835	1.4
432.19733	0.4
433.20663	5.0
434.21149	4.3
435.21756	9.8
436.22552	1.1
437.23727	0.5
447.17825	1.7
447.22223	1.6
448.18201	0.7
448.23361	0.6
449.19553	6.5
450.20929	0.6
451.20975	0.5
459.21957	0.6
460.22495	0.4
461.19577	1.7
461.24771	0.5
462.20206	3.9
463.21115	5.8
464.21979	1.3
465.22653	0.6
466.24118	0.4
475.21799	1.5
476.21844	0.5
479.20471	0.5
480.25769	0.4
489.23026	1.0
492.21591	0.4
493.21854	0.5
494.22568	0.4
495.23660	0.4
504.22180	0.4
505.21701	0.4
506.23154	0.5
507.23947	0.6
508.25125	0.3
509.21576	0.5
521.25763	10.0
522.22168	1.6
523.23712	0.5
535.23224	0.9
547.26782	0.9
549.24915	24.4
550.25372	1.6
567.23071	0.5
577.24481	0.8
581.27783	3.5
582.27673	0.4
591.25494	0.5
609.26990	15.6
610.27655	0.9
619.67725	0.5
651.28070	0.9
669.29077	100.0
670.29358	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	669.2014
Annotation	Nevadensin 5-gentiobioside
Peak:m/z	Relative Intensity
58.64138	0.1
69.03406	0.2
70.17212	0.7
79.05491	0.2
81.03419	0.2
81.07008	0.2
85.02868	0.7
92.16792	0.2
95.83695	0.1
97.02881	0.3
99.04455	0.2
107.04942	0.2
109.02849	0.3
114.67606	0.1
123.04353	0.3
127.03901	0.4
135.04391	0.2
139.07608	0.2
153.01790	1.3
161.02350	0.2
163.03828	0.8
167.07022	0.5
170.02078	0.4
177.05426	0.3
178.02637	0.5
178.06247	3.4
179.03372	0.4
183.02951	0.2
204.04175	0.4
216.04102	0.8
217.04922	0.6
231.02921	0.2
231.06496	0.6
241.04944	0.9
243.06454	0.6
244.03680	0.9
245.04306	0.3
255.02866	6.3
256.03354	0.3
257.04422	0.3
259.06049	1.7
269.04434	2.0
271.06039	0.3
272.03088	0.3
281.04465	0.3
283.02325	1.5
283.05988	0.7
284.03049	0.6
284.06750	0.4
285.03885	0.3
287.05469	7.1
289.10492	0.2
297.03830	1.6
299.05569	1.1
300.02634	2.4
300.05801	0.3
301.07111	0.4
311.05551	0.5
312.06259	1.0
313.06924	0.8
314.07730	0.2
315.04944	41.8
316.05228	1.2
329.06595	1.1
330.07297	18.0
331.07584	0.8
344.08887	0.2
345.09637	100.0
346.10028	3.5
359.11316	0.4
375.10724	1.6
486.55325	0.2
669.20386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2015
Annotation	Nevadensin 5-gentiobioside
Peak:m/z	Relative Intensity
50.55026	0.2
60.64908	0.2
61.25645	0.2
66.47438	0.2
69.24728	2.3
85.02879	0.3
97.02872	0.3
98.20734	0.3
125.42415	0.2
127.03979	0.2
130.87698	0.2
153.01833	0.9
161.05936	0.2
163.03891	0.6
167.07010	0.7
170.01953	0.2
178.02654	0.3
178.06241	2.4
179.03310	0.5
204.04097	0.3
216.04178	0.5
217.04959	0.6
231.06490	0.5
241.04852	0.4
243.06479	0.4
244.03662	0.6
255.02850	4.6
259.06006	0.9
269.04349	1.7
272.03195	0.3
279.61401	0.2
281.04428	0.5
283.02386	1.1
283.05817	0.5
284.03137	0.4
287.05450	5.0
289.10468	0.2
297.03903	1.1
299.05392	0.6
300.02621	1.9
301.07031	0.5
311.05573	0.4
312.06256	0.8
313.06992	0.7
315.04941	33.0
316.05365	0.8
329.06403	1.0
330.07285	17.2
331.07571	0.4
345.09631	100.0
346.09982	3.7
375.06982	0.3
471.12573	0.3
496.56558	0.2
507.14865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.2
57.03421	0.3
68.99784	0.7
69.03400	0.8
69.82830	1.1
81.68350	0.2
85.02895	0.7
87.04429	0.5
91.05436	0.4
93.06960	0.2
97.02896	1.0
107.04934	0.3
115.03884	0.5
117.03369	0.2
119.04951	0.2
120.17290	0.2
127.03944	0.3
133.04871	0.2
133.06415	0.2
135.04411	0.3
137.05983	0.2
137.97414	0.2
145.02786	0.2
147.04420	0.3
151.07507	0.2
153.01756	1.4
153.05406	0.4
154.02580	0.2
161.05910	0.4
162.06738	0.5
163.03876	1.1
164.04669	1.2
165.09056	0.4
166.99777	0.6
167.07022	0.8
168.00511	0.9
169.01317	2.4
169.89479	0.2
177.05396	0.9
178.06226	6.5
179.03439	0.3
179.07005	1.8
181.04909	0.3
182.02075	1.4
183.02916	0.6
185.00813	1.9
186.01556	0.7
191.06970	1.0
192.07739	0.3
193.08580	2.3
194.02090	0.2
200.03114	0.4
204.04045	0.2
205.04945	0.4
207.02859	0.3
207.06462	0.4
219.06532	0.5
229.04979	0.2
243.06265	0.2
246.05232	0.6
255.92072	0.2
257.04410	0.4
261.07480	0.3
267.53445	0.2
270.01379	0.2
271.06134	0.5
273.07568	0.3
274.04715	0.5
281.04388	0.3
285.03854	1.6
286.04477	0.4
287.01837	0.6
287.05170	0.3
289.06976	1.3
296.06461	0.3
298.00989	0.2
298.04541	0.2
299.05527	1.8
301.03857	0.2
301.07062	0.6
302.04230	0.9
309.03998	0.3
311.05518	0.4
313.03445	1.3
313.06717	0.3
314.04218	0.8
314.07874	0.6
315.01205	0.5
315.04965	0.4
315.08530	0.6
317.06516	5.4
324.06253	0.6
327.04913	3.5
328.05579	0.7
329.06525	6.3
329.10367	0.4
330.03714	2.5
330.07169	0.3
331.08127	0.4
342.07303	3.0
343.08096	0.7
345.06000	18.2
346.06403	0.6
347.11093	0.3
359.07663	0.7
360.08340	17.1
361.08575	0.5
374.09793	0.3
375.10693	100.0
376.11017	2.7
537.15857	0.8
566.87689	0.2
667.13965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22891	0.1
56.44140	0.1
67.05465	0.1
67.46339	0.1
69.03415	0.3
70.30502	0.5
76.79871	0.1
81.03409	0.2
84.17958	0.1
85.02944	0.1
85.77953	0.1
89.03909	0.2
91.05454	0.2
95.08599	0.1
97.02864	0.4
101.35219	0.1
105.07031	0.1
111.71427	0.1
117.03349	0.5
119.08528	0.1
121.02863	0.2
123.04409	0.3
127.03845	0.2
135.04385	0.1
137.05951	0.2
145.02831	1.2
146.03177	0.2
147.04443	0.3
149.02316	3.0
149.05978	0.2
153.01804	10.3
153.05348	0.6
154.02142	0.2
163.03853	0.5
164.04672	3.0
177.05432	2.3
178.05902	0.3
179.03374	0.2
197.06023	0.1
200.04626	0.5
201.05334	0.2
203.03340	0.8
205.04918	1.2
217.04907	0.4
227.03461	0.2
228.04137	4.3
229.04716	0.2
231.02850	3.3
239.03407	0.3
240.04074	0.2
242.05608	0.2
243.06497	0.5
245.04509	0.9
255.02841	0.4
256.03619	3.2
257.04202	0.2
269.04443	0.2
271.05972	2.8
273.03906	6.6
274.04214	0.2
275.09158	0.3
283.02390	0.6
284.03113	2.4
285.03873	0.6
287.05417	0.4
288.06293	0.3
297.30154	0.1
299.05460	2.9
300.70129	0.1
301.03391	29.8
302.03867	0.6
303.08511	0.3
315.05066	1.0
316.05725	14.0
317.06146	0.4
330.07227	0.5
331.08066	100.0
332.08429	3.2
345.09631	2.1
346.59229	0.1
474.44141	0.1
507.12759	0.2
603.21185	0.1
669.15540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11226	0.3
57.03403	0.3
59.63053	0.2
64.67635	0.3
67.05462	0.4
69.03381	0.8
79.05466	0.6
81.03372	0.5
81.07026	0.6
83.04942	0.5
85.02844	0.5
91.05441	1.0
93.06976	0.6
95.04889	0.4
95.08575	0.6
97.02842	0.7
97.06522	1.2
105.06982	0.5
107.04932	0.5
107.08526	0.5
111.04405	0.3
117.03365	0.2
117.21210	0.3
119.04900	1.0
119.08543	0.4
121.06503	0.4
123.04415	0.4
125.02190	0.2
125.05907	0.2
127.03870	0.5
133.10104	0.3
135.04382	0.3
137.05942	1.3
138.01236	0.3
145.02811	0.4
145.10066	0.4
147.04401	4.4
149.05927	0.4
151.03879	0.3
153.05428	0.4
161.02348	0.3
161.05986	0.5
163.03867	1.0
167.03365	1.5
167.06976	0.9
169.61858	0.3
174.06679	0.3
177.01779	0.4
177.05447	1.4
178.06239	4.2
188.04686	0.3
189.05537	0.3
192.04121	0.5
193.04898	0.4
205.04976	0.3
213.05539	0.3
230.05684	1.5
231.06519	0.6
241.04977	0.6
243.06602	0.3
255.06514	1.0
257.07977	0.6
258.05212	1.5
268.07278	0.4
269.04434	6.3
270.04977	0.3
271.05920	0.3
273.07523	2.6
283.06073	2.1
285.07449	0.6
286.04672	1.3
287.05603	0.3
295.06027	0.3
297.03906	1.2
297.07553	1.9
298.04721	0.5
298.08148	0.3
301.07004	8.6
311.05502	1.7
313.07074	1.4
314.04248	3.8
315.04987	0.5
315.08322	0.5
325.07025	0.4
326.07770	1.0
327.08603	1.1
329.06528	44.0
330.06888	1.3
343.08194	1.6
344.08875	16.4
345.09457	1.3
359.11215	100.0
360.11551	2.8
417.11539	0.3
603.18915	0.3
667.20343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
53.97654	1.4
54.76562	1.4
54.98998	1.6
55.01862	4.5
55.05503	17.1
57.03437	10.5
57.06806	2.8
57.07069	46.3
61.53742	1.3
65.03934	2.8
67.05493	34.8
69.03420	18.5
69.07050	12.0
69.53147	8.9
69.53560	3.7
70.31751	1.3
71.01356	1.6
71.04980	5.8
71.08252	2.6
71.08621	30.4
73.02930	2.0
79.05482	22.3
81.03405	100.0
81.07043	50.6
83.04958	13.0
83.08610	23.5
85.02884	12.6
85.06527	3.1
85.10164	15.9
91.05461	24.6
91.41445	1.4
93.07037	17.6
95.04958	20.3
95.08594	33.9
97.02883	26.7
97.06519	5.5
97.10161	9.2
99.04440	6.2
99.08067	1.5
105.07025	18.9
107.04935	6.0
107.08574	8.0
109.02856	17.2
109.06500	4.5
109.10147	16.9
111.04410	10.9
111.08071	5.9
111.11750	2.1
117.07006	3.3
119.08566	14.1
121.06491	3.5
121.10135	7.1
123.04430	3.4
123.11676	7.0
123.94181	1.6
125.09635	1.8
125.13322	2.0
127.03881	14.7
129.05457	3.3
129.06952	8.1
131.08528	9.8
133.06450	3.2
133.10110	8.2
135.11639	3.7
137.09653	2.1
137.13260	2.5
145.04868	1.9
145.06439	2.1
145.10127	6.2
147.08070	5.4
147.11679	19.2
149.09633	4.7
153.12697	2.4
157.10095	8.4
163.11162	5.0
165.12746	4.5
175.11166	10.1
181.12283	3.8
191.10728	4.4
193.12213	34.3
211.13268	45.8
211.15181	2.9
227.12752	3.5
229.14322	2.2
235.13367	3.7
239.23682	9.0
249.14706	1.9
259.13367	1.9
267.15906	15.8
273.14890	4.4
285.16995	4.4
289.13947	1.8
291.15799	2.1
301.14438	3.1
313.27328	32.4
319.15182	2.3
337.16330	9.4
341.26752	2.0
355.17398	11.1
383.28152	2.0
393.18982	3.2
411.20096	11.9
456.37674	1.7
505.39035	5.5
523.39960	13.5
608.95789	1.5
613.40863	2.1
649.43231	2.9
667.44049	81.9
668.44434	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	669.1589
Annotation	Bijaponicaxanthone
Peak:m/z	Relative Intensity
51.62741	0.2
55.01868	0.4
55.05492	0.2
55.99258	0.2
57.03444	0.2
66.95531	0.3
67.05507	0.5
69.07070	0.2
72.65934	0.2
75.82335	0.2
78.04679	0.2
79.05475	0.6
81.03400	0.6
81.07055	0.7
84.08158	0.2
85.02896	0.5
89.03916	0.8
91.05472	1.0
93.07040	0.4
95.04953	0.4
95.08629	0.4
96.74905	0.2
97.02879	0.9
97.06494	0.3
98.20718	0.4
105.07014	0.5
107.04955	0.4
107.08582	0.5
109.02851	0.5
109.10126	0.4
114.04364	0.2
117.03372	2.8
119.04913	0.4
121.02822	0.2
121.06477	0.6
121.10115	0.2
124.76010	0.2
127.03898	0.4
131.08591	0.3
133.98111	0.2
134.03603	0.4
135.04408	0.3
137.05920	0.5
145.02818	6.1
145.03929	0.4
147.04422	0.5
149.05949	2.3
151.07587	0.3
153.01851	0.8
161.06004	0.2
163.03824	0.5
165.05542	0.3
167.07001	0.4
175.03856	0.3
177.05437	15.7
177.31848	0.2
178.05830	0.3
179.07158	0.2
183.74225	0.2
191.03473	0.3
191.07007	0.7
195.06459	0.5
205.04904	2.3
207.06602	0.4
228.04080	0.4
256.03769	0.3
259.29950	0.2
271.06253	0.3
297.04324	0.3
299.05493	0.6
301.03458	1.0
311.05344	0.3
313.06912	0.3
316.05930	0.8
321.09738	0.9
331.08093	4.8
339.10471	0.5
345.09854	0.4
360.02271	0.3
361.03256	0.3
362.03979	0.3
389.06735	0.5
390.03445	0.4
403.04437	0.3
418.03391	0.3
431.03967	0.5
433.05658	0.5
435.07385	0.2
446.02960	0.4
447.03391	2.4
451.09903	0.3
454.06830	0.3
461.05334	0.8
463.06464	0.7
465.05664	0.5
467.07706	0.3
469.05157	0.5
476.07370	1.8
477.08191	1.8
479.03979	1.0
489.06424	0.3
492.05502	1.0
493.05493	0.7
494.06064	0.4
507.07291	0.9
509.08496	0.7
518.05865	0.3
519.06702	0.4
520.04810	0.4
521.04761	0.6
525.08215	0.9
533.04883	0.4
535.06616	1.2
549.04047	0.5
551.09961	0.3
553.07397	1.4
555.12274	0.4
561.08057	0.7
563.06012	3.5
565.11078	0.5
577.07953	0.5
579.09387	0.9
581.07172	2.7
583.12292	2.3
588.07123	0.4
589.07416	0.7
591.05432	11.5
592.06250	0.5
593.10889	1.9
595.09528	0.3
597.13025	0.3
603.18402	0.3
605.06763	1.2
606.07642	1.0
607.08954	0.6
608.13416	0.6
609.06354	0.4
611.11761	4.0
613.17065	0.8
619.12097	0.5
621.10156	25.1
622.10583	1.1
626.14398	0.5
635.11835	0.6
636.12610	0.6
637.13330	1.0
639.11273	7.6
640.12427	0.4
651.14758	5.5
652.15466	0.6
653.12744	0.8
654.13757	0.4
669.15906	100.0
670.16119	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	666.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52083	0.6
69.03407	1.4
70.06583	1.2
71.59186	0.9
77.33328	0.6
77.68694	0.7
81.03377	0.7
84.04493	0.6
87.04424	0.9
97.02865	1.9
107.88943	0.6
112.28391	0.6
122.37452	0.7
123.04428	0.9
137.05966	0.8
145.06490	0.8
151.03838	1.3
153.01794	6.4
161.87192	0.6
163.03883	1.0
167.07030	6.7
168.07338	2.6
170.02077	1.0
173.05956	1.8
177.05434	1.5
177.07835	1.5
178.06201	1.2
181.04871	2.0
182.05211	0.8
186.05487	0.9
187.06142	1.0
190.04971	0.9
192.06491	1.4
200.04755	0.8
204.06419	0.7
205.07169	1.1
206.08191	0.8
213.05586	0.7
214.83728	0.7
216.02863	2.6
218.07997	1.1
220.09660	2.7
228.04218	3.4
229.04852	1.2
231.02910	0.8
231.05225	2.0
240.04253	1.1
241.04912	1.7
243.06357	1.0
246.07587	3.7
251.05713	1.0
252.06604	0.8
254.04449	1.0
255.02797	1.7
256.03555	2.3
257.04218	1.0
268.03540	1.8
268.06079	1.7
269.04321	2.3
270.07755	0.9
271.02454	1.3
271.05948	5.1
272.05637	0.8
280.05984	2.2
283.04904	2.0
284.03000	1.2
287.05365	1.8
294.07678	1.4
296.05414	2.0
297.03766	2.7
297.06589	1.8
298.04523	2.4
299.05496	12.1
300.05188	1.5
301.03702	1.3
301.06937	8.3
308.05573	1.2
310.03397	2.4
310.10547	1.5
311.08005	1.1
312.08548	2.0
313.06821	5.6
314.06671	4.2
315.04565	5.5
316.05505	2.9
317.05505	1.4
322.07001	2.7
325.06226	3.2
327.08765	0.9
328.08069	1.4
329.06458	7.5
329.09836	2.1
330.07040	2.5
330.09927	2.3
331.08035	8.7
332.07730	1.4
338.06564	1.3
339.10806	0.9
340.08148	32.1
341.08310	0.9
342.05981	6.3
342.09656	1.1
344.11188	5.1
345.09595	11.1
346.09787	1.9
354.09906	1.0
355.08035	5.2
356.07428	1.1
357.08459	2.3
370.08914	1.2
371.09558	1.4
372.10675	100.0
373.11261	3.6
396.01602	0.7
417.15994	1.3
418.15848	2.9
435.03302	0.7
501.04410	0.8
534.15973	2.3
620.80212	0.8
623.15552	2.0
666.21179	3.4
696.21350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11226	0.3
57.03403	0.3
59.63053	0.2
64.67635	0.3
67.05462	0.4
69.03381	0.8
79.05466	0.6
81.03372	0.5
81.07026	0.6
83.04942	0.5
85.02844	0.5
91.05441	1.0
93.06976	0.6
95.04889	0.4
95.08575	0.6
97.02842	0.7
97.06522	1.2
105.06982	0.5
107.04932	0.5
107.08526	0.5
111.04405	0.3
117.03365	0.2
117.21210	0.3
119.04900	1.0
119.08543	0.4
121.06503	0.4
123.04415	0.4
125.02190	0.2
125.05907	0.2
127.03870	0.5
133.10104	0.3
135.04382	0.3
137.05942	1.3
138.01236	0.3
145.02811	0.4
145.10066	0.4
147.04401	4.4
149.05927	0.4
151.03879	0.3
153.05428	0.4
161.02348	0.3
161.05986	0.5
163.03867	1.0
167.03365	1.5
167.06976	0.9
169.61858	0.3
174.06679	0.3
177.01779	0.4
177.05447	1.4
178.06239	4.2
188.04686	0.3
189.05537	0.3
192.04121	0.5
193.04898	0.4
205.04976	0.3
213.05539	0.3
230.05684	1.5
231.06519	0.6
241.04977	0.6
243.06602	0.3
255.06514	1.0
257.07977	0.6
258.05212	1.5
268.07278	0.4
269.04434	6.3
270.04977	0.3
271.05920	0.3
273.07523	2.6
283.06073	2.1
285.07449	0.6
286.04672	1.3
287.05603	0.3
295.06027	0.3
297.03906	1.2
297.07553	1.9
298.04721	0.5
298.08148	0.3
301.07004	8.6
311.05502	1.7
313.07074	1.4
314.04248	3.8
315.04987	0.5
315.08322	0.5
325.07025	0.4
326.07770	1.0
327.08603	1.1
329.06528	44.0
330.06888	1.3
343.08194	1.6
344.08875	16.4
345.09457	1.3
359.11215	100.0
360.11551	2.8
417.11539	0.3
603.18915	0.3
667.20343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58918	0.5
53.03938	2.0
53.12151	0.5
53.15414	0.5
55.01853	2.4
55.05498	4.1
57.03434	1.9
57.07068	0.6
59.04991	4.3
64.17589	0.6
65.03935	1.0
67.05494	16.4
69.03409	3.6
69.07062	3.8
71.04990	1.5
74.16023	0.5
79.05478	6.8
81.03406	6.4
81.07040	9.3
83.04972	2.3
83.08618	2.9
84.51090	0.5
85.02907	1.1
85.06548	1.3
90.92841	0.6
91.05461	7.6
93.07024	6.9
95.04959	3.3
95.08597	4.1
97.02885	2.0
97.06518	2.4
97.10160	0.7
99.04467	1.1
99.08088	1.0
103.05481	1.1
105.07002	6.6
107.04930	2.1
107.08588	5.5
109.02888	2.3
109.06524	2.0
109.10139	10.4
111.04433	0.8
111.08062	1.0
115.05457	1.8
117.07018	2.8
119.08591	4.7
121.06496	1.7
121.10152	2.7
123.08070	1.5
123.11723	0.9
125.09621	2.0
127.03915	1.5
128.06204	1.5
129.07025	2.7
130.07834	0.8
131.04961	1.1
131.08551	4.3
133.10135	4.3
135.04416	1.4
135.08040	1.8
135.11676	1.3
137.02281	1.0
137.09555	1.3
141.06953	1.6
142.07764	0.8
143.08533	1.9
145.06485	2.1
145.10121	3.6
147.04407	1.3
147.08057	1.6
147.11700	2.0
148.12210	0.7
149.06036	1.4
149.09610	2.0
151.07559	1.4
153.01857	2.5
155.08569	2.9
157.06505	2.0
157.10143	2.3
158.07265	0.9
159.08066	1.3
159.11705	2.7
160.05196	1.6
161.05998	2.9
161.09619	1.1
161.13315	0.8
162.06873	0.7
163.00250	0.8
163.03888	1.4
163.11214	0.8
165.01801	0.7
165.07024	1.4
165.09102	0.6
166.85057	0.7
167.07039	2.4
167.08403	1.0
168.05685	0.8
169.06503	2.3
169.10130	0.9
171.08029	0.8
171.11632	1.1
173.04535	1.1
173.06001	2.6
173.09627	1.4
173.11806	2.2
173.13200	0.9
174.06764	1.2
175.03928	0.9
175.07513	2.7
175.11043	0.8
176.04684	0.8
177.05447	3.0
177.12964	0.7
178.06245	9.7
181.01274	1.0
183.07970	3.0
185.05968	3.0
185.13261	1.3
186.06836	0.9
187.07564	4.0
187.11090	0.7
189.05487	1.3
189.09109	1.6
189.12714	0.7
190.06250	1.8
190.54297	0.6
191.07010	9.7
192.07733	1.4
193.12355	0.8
195.06450	0.7
197.05934	1.4
199.07552	1.4
200.04637	1.1
201.05498	2.3
201.09090	1.5
202.06206	1.3
203.06992	3.6
204.07770	4.3
204.79980	0.7
205.04955	2.1
205.08560	5.4
207.13721	0.8
211.07474	3.3
212.08278	0.9
213.05505	2.5
214.06204	1.3
215.07068	2.1
216.04192	1.2
217.08635	2.1
219.06491	9.6
220.07097	0.9
221.15399	1.4
224.04689	1.0
225.05524	2.0
228.07645	0.9
229.05106	0.9
229.08682	1.9
229.14177	3.5
230.05750	1.0
231.06609	1.8
231.10199	0.8
233.07957	4.0
234.08891	4.6
235.09668	2.8
239.07036	1.5
240.07826	2.4
241.04962	1.6
242.05807	1.2
243.06532	0.9
244.03702	1.6
245.08101	1.1
247.09703	0.9
253.05045	1.3
255.02858	6.6
255.06558	0.9
256.03610	1.2
257.08224	1.9
257.19138	1.0
259.06027	2.0
267.02960	2.9
267.06448	0.7
268.04495	0.8
268.07132	3.8
269.04407	3.5
271.06067	1.7
275.20041	6.1
279.15820	0.8
281.04352	1.8
283.02472	2.9
283.05975	2.1
284.03409	1.1
284.06744	1.5
285.07553	2.3
287.05490	8.5
291.12152	0.8
296.06760	11.3
297.04074	3.0
297.07269	0.9
299.05521	4.7
299.08694	1.1
300.02753	3.1
300.09982	1.5
311.05444	2.5
312.02798	1.0
312.06183	5.0
313.07166	3.2
314.04349	1.1
314.07822	1.4
315.04944	48.8
316.05377	2.0
321.13449	2.4
321.85635	0.8
325.07190	0.9
327.05008	8.9
327.08701	3.8
328.05643	1.3
328.09363	1.0
329.06613	3.3
329.10068	1.1
330.07297	25.1
331.07822	1.0
341.06512	3.1
342.07385	3.1
343.08286	3.0
344.08804	5.8
345.09637	66.6
346.09991	2.2
349.23660	3.5
355.04355	3.4
355.08234	9.1
355.17618	1.0
356.08487	1.0
357.06030	0.7
357.09695	3.3
370.06958	1.2
373.18741	1.4
385.09311	3.0
405.29825	0.9
445.26944	0.8
503.33765	3.6
521.34906	0.8
527.13647	0.9
531.12982	2.4
547.16089	1.4
557.14221	0.8
583.15576	0.7
601.16943	5.6
633.19604	44.5
634.19873	2.8
647.37933	2.4
665.22192	100.0
665.38129	3.1
666.22760	7.6
690.25592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.2
53.03931	0.6
55.01875	1.1
57.03405	0.7
61.02893	0.4
65.03922	1.3
67.05465	0.7
68.99767	0.3
69.03420	3.9
70.06573	0.3
70.63013	0.6
71.01329	0.2
71.04967	0.3
73.02880	0.3
76.01388	0.2
78.04704	2.4
79.05491	1.3
81.03398	2.7
82.04170	0.4
83.04961	0.3
85.02889	4.4
87.00812	1.4
91.05465	1.4
93.03385	0.4
93.83843	0.3
95.04928	1.0
97.02896	2.1
97.06520	0.6
99.04426	1.0
103.03910	0.2
103.05448	1.4
105.01862	0.4
105.03416	0.3
105.04449	0.3
106.04165	1.2
107.04963	2.3
109.02873	2.1
109.06481	0.2
110.03618	0.9
111.04396	0.7
115.05433	2.7
117.07008	5.7
118.07327	0.2
119.04944	0.3
119.08549	0.3
121.02824	0.4
121.06508	0.3
122.03651	0.5
123.04410	5.9
124.05215	2.3
125.05965	0.7
127.03904	2.9
127.05398	0.6
127.75012	0.2
129.06985	0.4
131.04904	0.5
133.06438	0.3
134.03622	0.5
135.04391	0.5
137.05974	0.6
138.03105	0.7
139.03912	0.2
139.39751	0.2
140.08209	0.2
142.02608	0.5
143.04903	0.4
144.05652	0.3
145.02859	0.3
145.04965	0.7
145.06459	9.6
145.07603	0.5
147.04369	0.4
147.08043	0.7
148.04726	0.2
149.06053	0.3
151.03862	1.0
151.07523	0.3
152.04649	1.9
153.05347	0.3
155.04889	0.3
155.06009	3.0
155.07098	0.4
161.05957	0.9
163.03848	0.3
163.07465	0.3
165.05414	0.3
167.07013	100.0
168.04242	0.2
168.07365	2.0
171.06494	0.9
173.05960	19.4
175.07520	1.0
177.05489	0.8
179.06993	0.3
181.04932	25.7
182.05287	0.3
187.05997	0.4
187.07520	0.3
189.05501	0.2
191.07019	0.7
193.08525	0.2
195.06480	0.7
201.03523	0.3
201.05400	1.7
203.06996	0.5
205.08580	4.2
207.06372	1.1
207.10211	0.3
209.08041	0.3
213.05656	0.3
217.08582	1.1
218.05676	0.3
219.06433	0.3
221.08017	0.3
231.10124	0.4
233.08055	5.1
233.10287	0.3
235.07381	0.5
235.09576	4.2
245.08087	1.0
247.07372	0.3
247.09706	0.6
259.09653	0.5
263.09174	1.0
275.09158	0.7
277.10764	0.5
279.06335	0.3
287.09094	0.3
289.42444	0.3
305.10373	0.4
307.09625	0.4
323.08960	0.3
327.12283	0.3
329.10257	0.4
337.10672	0.5
339.12125	0.5
363.12384	0.2
367.11636	1.3
369.13318	1.0
381.13162	1.1
383.14694	1.1
387.14325	9.9
388.14978	0.3
391.10962	0.3
395.14789	1.3
399.14374	3.6
411.14471	0.8
417.15375	21.1
418.15677	1.0
419.13147	0.4
423.14413	0.5
429.15494	0.3
441.15475	0.7
459.16434	1.9
533.10785	0.3
579.20862	1.1
601.34613	0.3
621.21820	1.9
629.13300	0.4
644.81976	0.3
665.20660	18.2
666.21130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90582	0.3
53.03932	0.8
54.93451	0.4
55.01853	0.6
57.01975	0.4
57.03418	0.6
61.02903	0.5
61.93620	0.4
65.03901	1.2
67.05470	0.5
69.03419	3.7
70.06561	0.5
70.47778	0.3
73.02882	0.4
78.04681	1.6
79.05472	1.6
81.03394	3.2
81.07026	0.7
85.02898	4.1
87.00806	0.9
91.05453	1.1
95.04945	1.4
97.02864	3.3
97.06535	0.9
99.04431	0.7
101.22559	0.4
103.05429	0.9
105.01859	0.5
105.03388	0.4
105.07008	0.6
106.04132	0.9
107.04942	2.2
108.00565	0.4
109.02850	2.0
110.03652	1.0
111.04415	0.7
115.05426	2.8
117.07005	4.9
119.08559	0.4
123.04424	6.0
124.05208	2.4
125.06007	0.5
127.03896	2.6
127.05405	0.8
134.03636	0.5
136.16609	0.4
137.05930	1.1
145.02756	0.6
145.06473	9.4
147.04369	0.8
151.03848	1.2
152.04657	1.6
155.06033	2.4
161.05986	0.6
164.07016	0.8
167.07018	100.0
168.07339	2.7
171.06528	1.3
173.05956	17.7
175.07478	1.0
177.05412	1.4
181.04933	24.8
183.06525	0.6
187.05974	0.7
191.07040	0.8
201.05431	1.5
205.08533	4.4
207.06508	0.8
217.08598	0.9
233.08080	5.0
235.09612	3.6
245.07977	0.7
263.09131	1.0
275.09116	0.9
277.10965	0.6
341.55188	0.4
367.11816	1.5
369.13196	1.3
381.13251	0.8
383.15048	0.7
387.14328	10.6
395.14893	1.6
399.14227	3.0
411.14359	1.0
417.15387	21.8
418.15506	1.1
423.14362	0.8
441.15421	1.2
459.16470	1.6
520.22650	0.4
579.20795	0.6
621.21991	2.0
665.20618	21.0
666.20978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.6
55.01821	0.6
55.05439	1.8
55.05681	0.6
57.03387	0.5
60.04747	0.4
65.03879	0.9
67.05425	2.4
68.99722	0.5
69.03352	1.7
69.06997	0.8
70.06519	0.9
71.65879	0.7
71.66275	0.6
79.05407	1.7
81.03352	1.1
81.06969	1.9
83.04893	2.0
85.02811	1.7
91.05466	2.9
93.06953	1.7
95.04888	1.8
95.08537	1.5
95.32229	0.5
97.02787	1.7
97.06419	1.6
103.05442	2.4
105.07010	2.5
105.07526	0.6
107.04939	2.6
107.08495	1.6
109.02808	0.6
109.06431	1.0
109.10111	1.0
110.09594	0.6
115.05341	2.2
115.58051	0.5
117.06925	0.8
119.04850	0.6
119.08497	1.4
120.07999	0.7
121.02845	3.1
121.06378	0.8
121.10072	1.3
123.04362	0.9
123.08044	0.9
123.11635	0.9
125.09505	0.9
128.06133	0.7
129.06920	1.3
130.23605	0.5
131.04822	2.3
131.08513	0.9
133.06377	1.4
133.10025	0.8
135.04320	0.9
136.06081	0.8
137.02298	0.6
137.05865	2.1
143.04823	1.5
143.08446	0.6
145.02719	1.3
145.06424	1.2
147.04387	4.0
147.11595	0.6
147.83052	0.5
148.04845	0.5
149.02283	0.6
149.05891	1.4
149.09520	0.7
153.01706	0.9
154.33940	0.5
157.10036	0.7
159.04356	0.6
159.07973	0.8
161.04749	0.5
161.05951	8.1
163.03897	3.9
165.05511	0.5
165.06871	1.2
165.09009	0.7
167.06915	1.8
167.08514	1.3
168.05554	0.6
171.11583	0.7
173.05861	1.6
174.06598	0.9
175.03874	5.0
175.07454	0.9
176.08223	2.1
177.05437	6.2
178.06241	8.6
179.06891	0.9
179.08455	0.6
181.06454	1.0
183.07825	0.8
185.05832	0.7
187.03706	0.6
187.07442	1.0
189.05336	0.8
189.09024	0.8
191.03305	1.0
191.06946	1.4
193.04858	0.6
195.07886	1.5
195.10504	0.5
199.03766	0.5
199.07440	1.0
201.05351	0.8
203.03250	1.9
204.04100	0.6
205.04852	1.2
211.07457	0.7
213.05318	1.1
213.09044	1.4
215.06931	0.9
216.04132	0.8
221.04260	0.8
223.07484	2.6
224.04558	1.8
225.05403	0.9
226.06108	1.1
227.06938	1.0
229.04729	0.9
237.05386	0.6
239.07002	0.6
241.04869	1.2
241.08591	0.9
243.06432	1.0
251.07011	0.9
252.04134	3.5
253.04840	2.3
255.02846	3.8
255.06430	1.2
257.04437	0.7
257.07837	0.8
259.06039	0.9
265.05002	0.7
268.07184	0.7
269.04385	1.3
269.07950	1.3
270.05209	5.2
271.05765	1.0
278.05566	1.8
279.06412	0.9
280.03601	0.8
283.05881	0.9
283.09839	0.5
284.02905	0.6
284.06711	2.2
285.07532	1.5
287.05432	3.0
296.06702	0.6
297.03845	1.9
299.05969	0.8
300.02551	1.1
301.07053	1.0
305.08017	0.6
309.07541	1.0
311.05621	0.8
312.06180	2.0
313.07034	1.8
314.07724	1.2
315.04977	16.8
315.08395	1.2
316.07306	5.5
317.07901	0.9
325.06796	0.7
328.09769	0.6
329.06564	1.5
330.07300	6.9
339.08624	1.3
343.09222	1.9
344.06174	3.3
345.05609	1.1
345.09674	17.7
346.10083	1.0
351.08624	0.8
355.05719	4.6
356.06189	0.8
359.09198	3.0
367.08075	5.2
369.10037	4.8
370.09192	0.6
372.06116	2.3
381.07727	0.9
382.10532	1.2
383.04980	1.2
383.09888	0.7
384.06012	1.2
384.11298	0.7
387.08545	10.8
397.07190	1.8
397.12732	5.0
399.08612	1.5
399.14484	1.4
400.05664	4.1
412.09326	1.6
413.10287	2.1
415.08041	50.0
416.08371	2.2
429.09625	2.0
430.10434	14.8
443.07584	0.9
445.12772	100.0
446.13162	4.1
473.12256	18.4
474.12662	1.4
491.13245	5.5
573.17334	1.0
575.19031	1.0
589.13556	1.3
589.25476	1.1
617.13147	0.8
629.16479	5.8
647.17505	38.6
648.17712	2.1
665.18549	37.5
665.31030	1.2
665.34186	1.0
666.19165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82168	0.2
53.03920	0.6
55.01854	0.3
55.05474	0.8
65.03899	0.4
67.05444	1.1
68.99741	0.3
69.03391	0.7
69.07027	0.5
70.06564	0.5
70.23705	0.2
71.04953	0.3
71.55772	0.2
71.58519	0.4
73.02886	0.3
77.76202	0.2
79.05447	1.0
81.03360	1.0
81.07005	1.1
83.04948	0.7
83.08578	0.4
85.02882	0.5
89.03905	0.5
91.05474	1.5
93.06993	1.0
95.04969	1.2
95.08538	0.7
97.02835	1.0
97.06483	0.9
103.05415	0.4
105.03385	0.2
105.06975	1.0
106.07240	0.2
107.04892	0.8
107.08530	1.1
109.02814	0.8
109.10120	0.5
111.04356	0.5
117.03372	1.9
117.06952	0.4
119.08522	0.7
121.02855	2.7
121.06437	0.5
121.10077	0.7
123.04369	0.6
123.08002	0.6
127.03862	0.3
128.06186	0.4
129.06960	0.3
131.04893	0.4
131.08524	0.5
133.10092	0.6
135.04338	1.0
135.07991	0.5
136.06157	0.4
137.01332	0.3
137.02322	4.4
137.05922	0.7
143.08496	0.4
145.02843	4.5
145.06415	0.4
145.10062	0.7
147.04323	1.1
147.07961	0.4
149.05923	1.0
149.09579	0.3
151.03911	0.4
151.07477	0.5
153.05428	0.5
157.10104	0.7
159.08014	0.3
161.05922	0.4
163.03922	2.1
163.11150	0.3
166.08894	0.3
167.06981	0.8
168.05661	0.5
169.06496	0.4
173.13235	0.3
175.07487	0.3
177.05458	8.7
178.06239	4.2
183.11520	0.2
187.07442	0.3
189.09013	0.4
191.06981	0.4
193.05005	0.3
193.12196	0.3
195.06403	0.3
195.10109	1.1
197.06003	0.3
199.07614	0.4
201.09077	0.3
205.04915	0.5
215.06886	0.5
221.04271	0.4
223.07559	1.6
224.04660	1.7
225.05371	0.3
226.06226	0.4
233.15407	0.3
239.06888	0.5
241.08653	0.4
243.06467	0.4
251.06931	0.4
252.04100	2.9
253.04883	2.3
259.67773	0.3
261.07532	1.7
265.04922	0.3
267.06509	0.2
269.04581	0.3
270.05188	4.8
278.05756	0.9
279.02820	0.3
279.06326	0.6
280.03546	0.4
285.07614	0.4
295.05902	0.3
299.06870	0.5
300.07678	0.3
303.06158	0.5
313.07956	0.3
315.04868	1.6
316.07309	4.1
317.08014	0.6
327.06332	0.9
328.07257	0.7
330.07272	0.5
331.05893	0.5
331.09445	0.7
339.08563	0.4
341.07837	1.2
342.08484	0.3
343.09293	0.9
344.06586	3.2
345.09879	2.6
355.05923	4.1
355.10135	0.3
356.06580	0.6
357.09982	0.4
359.09085	3.0
367.07910	0.4
369.07492	2.6
372.06262	1.7
381.07584	0.4
383.05206	1.0
383.09229	0.7
384.06168	1.0
384.10562	0.4
385.06760	0.4
387.08582	10.0
397.07083	2.1
398.08032	0.5
399.08258	1.3
400.05624	2.5
401.10477	0.4
402.10736	0.4
412.09418	1.4
413.10205	2.5
415.08075	47.5
416.08481	1.5
425.10876	0.6
429.09735	1.8
430.10428	12.7
431.10544	0.4
443.07507	0.5
445.12775	100.0
446.13147	3.3
473.12274	20.3
474.12503	0.8
491.13239	3.3
512.70148	0.3
629.16559	0.6
647.17535	4.1
664.40686	0.3
665.18512	5.2
665.29846	0.5
665.40259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.4
55.05455	0.5
57.03390	0.4
57.56124	0.3
58.19463	0.3
60.46192	0.3
63.37709	0.3
65.62698	0.3
67.05447	0.7
69.03363	0.7
69.41378	2.8
70.06534	0.4
79.05406	1.1
79.05825	0.3
80.04919	0.2
81.03353	0.8
81.06981	1.0
83.04902	0.9
85.02809	0.9
85.06464	0.4
91.05402	1.1
93.06954	1.3
95.04877	0.8
95.08526	0.7
97.02811	0.9
97.06451	0.5
103.05406	0.6
105.06930	1.2
107.04877	0.9
107.08513	0.7
109.02819	0.4
109.06467	0.5
109.10072	0.5
111.04360	0.6
111.08060	0.3
115.05378	0.4
117.03229	0.4
117.06983	0.4
119.08487	1.1
121.02838	2.9
121.10032	0.7
123.04295	0.4
123.07866	0.3
123.11595	0.4
125.09634	1.7
125.10337	0.5
127.03880	0.4
128.06206	0.4
131.04852	0.4
131.08405	0.5
133.10089	0.7
133.85530	0.3
135.04308	0.6
137.05832	1.1
145.02788	0.6
145.10028	0.7
147.04329	0.9
147.08017	0.3
147.11644	0.4
149.05917	0.4
151.07448	0.6
152.78368	0.3
157.09956	0.5
159.07993	0.4
159.11575	0.5
160.92496	0.3
161.05884	1.1
163.03877	2.0
163.11057	0.4
167.06998	2.0
171.11598	0.3
175.03836	0.5
177.05484	1.6
178.04951	0.3
178.06227	4.0
179.06931	0.5
184.07335	0.3
191.03325	0.6
197.05881	0.4
201.16298	0.4
205.04927	0.4
213.05418	0.5
223.07481	1.8
224.04654	2.0
226.06123	0.9
237.05405	0.6
251.06967	0.6
252.04173	2.7
253.04881	1.9
264.07874	0.3
269.22803	0.6
270.02505	0.4
270.05182	4.9
277.04855	0.6
278.05762	0.8
279.06381	0.4
280.03458	0.6
284.06607	0.7
285.07956	0.3
287.05453	0.6
295.06052	0.3
297.07440	0.3
303.06406	0.7
315.05084	1.9
315.08368	0.6
316.07297	4.5
327.06311	1.0
328.07101	0.8
330.07355	0.7
331.05823	0.5
331.09747	0.8
341.08084	1.0
343.09204	1.1
344.06577	2.8
345.09714	2.2
355.05884	4.1
356.06693	0.6
359.09119	2.4
367.08185	0.6
369.07306	2.6
371.14551	0.4
372.06134	1.5
381.07312	0.6
383.05356	1.0
383.09595	0.6
384.06079	0.8
385.07068	0.4
387.08612	8.7
388.09045	0.5
397.07092	2.0
397.12408	0.5
398.07846	0.3
399.08536	1.0
399.32596	0.5
400.05579	3.7
401.10092	0.6
408.63977	0.3
411.08994	0.3
412.09171	1.5
413.10461	1.7
415.08054	45.4
416.08456	1.6
417.15250	0.9
429.09500	2.2
430.10397	11.1
431.10748	0.4
440.08774	0.4
443.07501	0.9
445.12762	100.0
446.13101	3.4
447.14365	0.4
473.12283	18.2
474.12686	0.7
482.53949	0.3
491.13339	3.7
601.16614	0.4
629.16412	0.8
647.17462	8.7
665.18634	5.1
665.31720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01855	0.4
55.05506	0.3
61.02913	0.8
63.02363	0.5
67.05484	0.8
67.47237	0.2
68.99778	1.6
69.03415	2.0
71.01352	0.7
78.04724	0.3
79.05486	0.6
81.03387	1.8
81.07049	0.4
85.02892	0.6
87.00792	0.4
89.03901	6.9
91.05463	0.9
93.07028	0.5
93.28246	0.3
95.04959	0.7
95.08579	0.4
96.08123	0.5
97.02865	0.9
97.06504	0.6
97.77859	0.2
103.05447	0.6
105.06991	0.3
108.08109	0.4
109.02168	0.4
109.02857	5.3
109.03539	0.4
109.06513	0.3
110.09650	1.0
115.05464	0.3
117.03356	22.9
117.07006	0.4
119.04954	0.5
119.08556	0.4
120.08074	0.6
121.10170	0.4
122.05993	0.3
123.04444	0.4
124.05232	0.4
127.03902	1.3
128.06192	0.6
129.01807	1.5
129.06978	1.0
131.04904	0.8
131.08521	0.3
134.03603	1.6
135.04398	1.5
136.07587	0.4
137.02299	0.7
137.05919	1.4
138.09111	0.8
141.06961	0.9
143.08568	0.6
144.05681	0.7
145.02821	67.7
146.03212	0.8
147.02824	1.1
147.04285	0.6
148.05226	0.3
149.05949	7.5
151.03876	0.9
153.06924	0.4
154.51421	0.3
155.04872	0.7
156.05688	0.5
157.06441	1.6
158.06023	0.3
159.04465	0.3
159.08058	0.4
161.05948	0.9
163.03868	0.7
163.07489	0.5
166.08638	0.9
167.07002	0.8
168.05592	0.3
169.06458	0.6
171.08044	0.9
172.05144	0.9
173.05949	0.8
174.06714	0.9
175.03851	0.6
175.07504	0.8
177.05437	100.0
178.05756	1.5
179.03444	0.4
181.06436	0.6
183.02831	0.2
183.04358	1.1
184.05185	0.9
185.05952	1.1
186.05446	2.1
187.07523	2.3
189.05441	1.2
189.08997	0.4
191.07050	0.7
197.05949	1.0
199.07529	2.2
200.04727	0.9
201.05396	2.0
201.08980	0.3
203.07010	0.3
205.05116	0.4
205.08551	0.4
209.05930	0.4
211.03835	0.3
211.07486	0.3
213.03838	0.6
213.05583	0.3
214.06197	0.4
215.06976	6.4
217.05055	0.3
217.08548	2.2
219.06514	0.8
225.05498	0.6
228.04201	0.6
229.08549	1.1
231.06537	1.0
233.05980	0.5
233.08051	4.1
239.06982	11.6
240.07303	0.5
241.08562	0.8
242.05670	0.4
243.06480	4.3
245.08076	0.7
251.11732	0.4
252.12427	0.5
257.08069	3.2
259.09821	0.3
261.07541	38.1
262.07883	0.5
263.11819	0.3
269.12857	0.3
285.07550	7.4
286.07657	0.3
297.12265	1.1
299.13507	0.3
303.08585	8.1
309.12271	0.6
321.09692	0.9
330.06833	0.3
331.07956	0.4
345.09637	0.6
388.16296	0.3
389.08508	1.0
394.17538	0.3
406.17337	1.0
407.09619	4.3
415.17554	0.3
425.10727	8.8
432.19028	0.7
436.77979	0.3
438.20053	0.3
450.20175	0.4
462.20175	0.4
498.22015	0.5
507.11121	0.4
529.65521	0.3
559.25348	0.4
585.26575	0.6
587.24384	0.8
603.28302	0.6
631.27252	1.1
645.15875	0.7
663.30365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74522	1.2
55.05510	6.8
57.03430	13.0
57.07069	19.8
57.90068	1.2
59.04988	3.0
61.02904	4.1
65.11994	1.2
67.05498	62.2
68.40389	1.3
69.03380	1.4
69.07059	3.2
70.05646	7.1
71.04967	2.2
71.08623	16.6
78.71209	1.3
79.05463	1.7
81.06679	1.3
81.07048	13.9
83.08619	9.1
85.02883	4.9
85.06547	2.0
85.10178	10.4
87.04473	1.4
91.03931	1.3
91.05457	4.4
93.07055	2.1
94.15066	1.3
95.08599	15.1
97.02840	2.0
97.10152	2.7
102.68034	1.2
107.08594	1.6
109.10142	70.6
109.49055	1.2
110.10488	1.2
111.08042	1.5
112.81281	1.3
119.08553	3.7
127.38789	1.4
137.09608	3.1
155.10709	2.0
159.08253	1.5
173.11722	16.9
229.14328	100.0
239.23897	1.9
262.15652	1.3
309.49692	1.3
313.27325	75.9
467.37289	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	662.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.6
55.05504	24.4
57.03432	11.6
57.07059	6.7
63.43080	4.4
65.59679	5.6
66.13877	4.6
67.05501	86.6
69.07064	33.2
69.27457	55.4
69.50232	4.8
71.04973	5.7
74.25972	4.5
78.97543	5.0
79.05478	67.2
81.07046	86.3
83.04992	6.7
83.08606	17.7
85.06521	6.4
87.04482	26.6
91.05467	43.8
92.08557	4.7
93.07044	82.5
95.04952	13.8
95.08598	50.3
95.09166	7.4
97.06522	11.6
97.10143	7.1
105.07023	35.6
107.08589	41.4
109.06541	9.0
109.10163	24.4
113.63203	4.6
117.07009	17.4
119.08570	29.2
121.10131	26.2
123.08002	5.8
123.11685	5.5
124.08729	5.0
129.06966	5.8
131.08560	27.5
133.10115	24.5
135.11693	19.0
143.08598	5.2
143.47284	5.3
145.10129	15.9
147.11659	11.8
149.13219	17.4
157.10065	6.9
159.11659	13.3
161.13220	5.1
163.11168	7.8
168.75674	5.8
173.13301	6.8
187.14673	7.5
195.13820	9.4
255.15923	11.5
257.19012	9.1
261.22147	12.5
269.17438	18.2
275.20038	33.0
309.20609	5.2
324.27466	5.3
335.25742	85.6
349.23700	17.0
367.24377	7.9
389.30991	5.1
515.37170	21.3
529.38702	100.0
569.41821	8.7
609.45404	9.4
663.29913	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	663.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19125	0.2
53.03934	0.4
55.01867	0.3
55.05472	0.2
59.22826	0.2
61.02903	0.5
65.03918	1.1
67.05478	0.3
68.99798	1.0
69.00090	0.2
69.03418	1.3
69.87936	1.1
71.01338	0.3
79.05482	0.4
81.03417	1.1
81.07018	0.5
85.02869	0.4
91.05464	7.8
93.07064	0.4
95.04964	0.5
95.08617	0.2
95.97521	0.2
97.02879	0.6
97.06517	0.4
105.06996	0.6
107.04933	1.1
107.08582	0.4
109.02859	4.8
109.03526	0.2
109.10136	0.2
113.53397	0.2
117.07030	0.3
118.04118	0.4
119.04925	22.4
119.08561	0.5
120.05241	0.4
121.02845	0.5
121.10123	0.4
123.04469	0.2
124.99941	0.2
127.03883	0.7
128.06200	0.3
129.01799	0.8
129.06975	0.4
131.04890	0.4
131.08559	0.4
133.06468	0.6
137.05928	0.2
141.06981	0.9
144.05692	0.3
145.02795	0.4
145.06479	0.4
147.04384	100.0
148.04716	1.6
153.06960	0.4
155.08521	0.2
157.06459	2.0
159.08047	0.5
163.03915	0.3
165.05513	0.4
165.06946	0.5
167.06998	0.5
169.06435	1.3
171.08018	0.3
173.05966	0.3
175.07527	0.3
177.05438	0.6
181.06458	0.3
183.08055	0.3
184.07336	0.6
185.05934	2.4
187.07513	3.5
191.07071	0.3
199.07549	0.6
201.05498	0.4
203.06984	1.9
211.07529	0.7
213.03786	0.4
213.05460	2.4
213.09096	0.7
215.07088	0.7
225.05481	0.3
226.06223	0.3
227.06955	2.1
231.06488	19.5
232.06891	0.5
237.05417	0.8
253.04958	0.6
254.05637	1.1
255.06491	2.2
269.08047	15.9
270.08441	0.6
273.07510	5.2
291.08621	0.4
331.08139	0.3
345.09650	0.7
359.07593	0.7
377.08740	1.8
395.09677	4.0
645.15942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01857	4.3
55.05507	15.1
57.03428	23.8
57.07064	4.8
61.02917	89.5
67.05495	48.0
69.03419	35.7
69.07066	20.5
69.26741	15.3
69.27171	5.3
71.01326	3.1
71.04972	6.1
71.08613	3.8
73.02515	3.0
73.02909	33.4
75.04465	2.8
79.05478	22.1
81.03405	27.6
81.07044	52.4
83.04966	5.0
83.08599	15.0
85.02892	100.0
87.04459	3.6
91.03943	68.8
91.05457	14.1
93.07038	24.8
95.04970	6.3
95.08592	42.5
95.09203	2.2
97.02878	79.1
97.06516	6.0
97.10153	5.5
98.03209	1.9
98.21431	3.1
99.04443	12.7
99.08054	2.4
101.02364	6.2
103.03922	10.9
105.07021	10.5
107.04956	2.0
107.08568	13.6
109.02869	15.8
109.06503	3.7
109.10146	23.4
109.25055	1.7
111.04422	2.5
111.08043	3.1
115.03896	5.9
117.05485	4.1
117.07008	2.4
119.08558	9.8
121.10121	12.8
123.08089	2.1
123.11684	10.2
127.03894	41.3
129.05472	8.3
129.06953	1.9
131.08578	6.6
133.10110	11.5
134.10376	1.7
135.08087	1.8
135.11674	7.2
137.05922	3.7
137.09575	2.8
137.13231	4.5
141.12723	1.8
143.08572	2.2
145.04948	27.0
145.06192	2.0
145.06575	2.0
145.10120	3.7
147.11670	6.3
149.09593	2.2
149.13245	5.7
151.14757	3.8
157.10074	2.2
159.06572	3.0
159.11752	2.0
161.13191	8.2
163.06024	5.8
163.14798	4.8
171.06508	3.0
173.13345	2.0
175.14740	4.0
183.06509	11.2
189.16335	2.7
201.07588	8.4
243.21046	2.4
245.22610	9.8
247.87744	1.8
261.22043	2.0
263.23627	18.3
268.92120	1.6
317.24695	1.8
329.24570	2.7
335.25659	3.1
337.27325	84.1
338.27518	4.4
345.09604	1.9
365.26855	2.9
371.25604	4.9
379.28464	2.4
389.26886	2.6
445.29517	5.0
463.30334	4.2
481.31573	6.4
499.32834	3.3
529.96857	1.8
644.52740	1.9
661.38196	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	662.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01848	1.3
55.05500	2.6
57.03423	1.7
61.02903	1.2
62.06074	0.7
67.05492	5.1
68.99773	0.6
69.03423	9.3
69.07051	2.3
70.06577	2.8
71.04978	2.0
71.08620	7.0
72.08144	2.5
73.02895	1.9
81.03400	7.7
81.07063	3.4
83.04963	0.7
83.08613	0.9
84.08119	1.8
85.02888	10.1
86.06055	29.4
86.06586	1.4
87.00793	2.6
91.05458	5.9
93.07039	5.2
95.04958	1.3
95.08593	11.1
96.08121	5.2
97.02893	5.9
97.06522	2.3
98.06055	1.9
98.09685	10.9
99.04452	5.2
99.08076	7.7
100.07604	1.0
103.03870	0.8
105.07006	2.0
107.04890	0.8
107.08568	1.7
108.08147	2.9
109.02865	9.2
109.06494	0.8
109.10151	4.7
110.09657	1.7
113.08338	0.8
114.09128	1.3
116.10715	73.9
117.01850	0.6
119.08574	10.9
120.08127	1.1
121.06462	0.8
121.10098	1.0
122.09661	2.3
123.04486	0.9
123.08045	1.3
124.07554	2.3
126.09173	0.6
127.03902	14.0
128.10693	0.8
129.01860	1.1
129.07027	1.0
136.06152	1.2
137.05920	1.0
137.09583	9.7
138.09119	2.1
140.10689	1.5
142.08621	6.0
142.12250	1.2
142.29840	0.6
143.10672	2.1
145.02823	1.7
145.04944	2.2
147.02876	0.8
147.04343	0.7
147.08029	2.5
155.10666	0.8
156.10184	0.6
159.02913	1.0
161.05951	0.8
165.09056	1.5
167.07062	1.2
169.04976	0.7
177.01877	0.9
177.05505	2.9
183.10085	1.0
187.05980	1.9
191.03381	0.9
195.02895	1.1
196.16876	1.3
201.11240	0.9
208.16965	0.9
209.11562	0.8
213.03741	0.9
214.17982	19.7
220.16933	1.1
225.11171	1.0
227.12727	0.7
229.76178	0.8
231.04932	2.2
234.18454	0.6
236.19989	1.8
238.17984	1.8
243.12256	1.2
245.13911	3.0
254.21143	9.3
256.18982	4.8
262.18027	1.4
280.19034	9.5
283.01971	0.7
287.05316	0.6
298.20093	8.3
303.14114	1.0
315.04938	1.9
316.21146	100.0
317.21381	3.2
329.12286	1.8
330.07401	0.7
339.09271	0.6
342.75766	0.7
345.09616	3.6
347.13303	2.8
389.50467	0.7
396.27359	2.8
414.28448	23.7
462.23575	4.9
478.26672	2.9
502.26514	0.8
520.27429	6.7
521.20959	1.4
528.24231	0.9
546.25336	2.7
564.26440	63.6
565.26624	3.4
618.34546	2.2
645.15442	2.9
662.33850	13.2
663.17004	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	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69377	0.4
53.03931	1.4
55.01852	1.6
55.05280	0.6
55.05507	6.8
57.03430	7.1
57.07050	1.7
61.02906	2.2
65.03921	1.2
67.05494	34.4
67.74901	0.5
69.03424	1.0
69.06702	0.7
69.07059	13.9
69.32696	5.4
71.04984	2.3
73.02898	1.1
73.03293	0.5
79.05482	22.3
80.05813	0.7
81.03404	2.7
81.07045	44.6
82.07354	0.5
83.04975	4.2
83.08605	8.2
85.02876	1.9
85.06516	2.1
91.04933	1.1
91.05464	12.6
93.07032	32.5
94.07357	1.0
95.04955	3.2
95.08591	11.9
97.02866	1.2
97.06513	7.1
97.10155	1.6
97.37517	0.5
98.20651	1.1
99.04457	0.6
99.08076	1.8
105.04475	0.5
105.07002	4.1
107.08577	20.2
108.99595	0.5
109.06499	1.6
109.10126	3.1
110.25057	0.5
111.08060	4.3
113.05964	0.6
113.09667	0.7
117.06986	5.7
119.08555	2.4
121.06506	0.6
121.10128	13.3
123.11703	0.7
125.09595	0.7
127.03851	0.5
129.07028	0.7
131.08536	5.8
133.10098	5.3
135.08049	1.0
135.11652	4.9
139.11169	1.0
147.07982	0.8
147.11662	0.9
149.09671	0.7
149.13234	20.8
150.13516	0.5
151.11162	1.1
153.09151	0.5
157.09955	0.5
159.11661	7.9
177.12726	4.4
195.13771	8.0
202.29135	0.5
213.14813	1.5
231.82634	0.5
251.16632	0.5
269.17438	57.2
270.17764	1.9
291.19394	0.6
315.05038	0.6
345.09644	1.1
463.30499	100.0
464.30771	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	661.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06947	0.4
62.52044	0.4
62.78871	0.4
71.41158	0.5
71.41494	0.5
75.71129	0.3
82.03390	0.3
87.36893	0.3
97.02814	0.9
100.20410	0.4
115.05311	0.3
120.53840	0.3
125.02337	0.5
177.05460	0.5
287.05060	0.4
315.04932	1.0
317.08307	2.7
329.06320	0.6
330.07535	0.4
337.03009	1.1
338.06564	0.7
345.09622	2.5
346.10312	0.4
352.05450	1.5
367.07840	100.0
368.07748	2.7
368.11984	0.6
385.08893	0.4
408.10394	1.2
436.28073	0.4
571.13922	0.4
661.17310	97.5
662.17676	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	661.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42582	1.5
64.81331	1.3
67.05475	1.8
69.10230	1.5
71.62121	2.9
74.51892	1.5
78.74112	1.3
79.05458	3.2
80.04984	1.7
81.03405	2.2
81.07027	1.8
82.06548	1.8
91.05450	3.1
93.07025	5.9
94.06560	7.6
95.04963	1.9
95.07369	7.1
95.08565	1.9
96.08138	15.0
97.02884	9.3
97.06530	4.2
101.17665	1.4
107.04946	2.9
108.08112	11.5
109.08854	1.3
110.09666	27.2
116.04980	2.8
120.04436	4.6
120.08084	19.8
122.06015	5.3
124.07584	8.6
136.07568	13.0
137.05988	1.6
138.05479	2.7
138.09120	37.7
144.04372	2.9
145.02811	4.3
146.06030	3.4
147.04341	2.6
148.07542	6.9
150.50670	1.5
153.01791	1.8
153.05450	1.4
160.03929	1.8
162.05473	3.2
163.92967	1.5
164.07037	2.1
166.04959	4.6
166.08617	73.5
167.03354	3.5
172.03923	27.5
174.05522	2.2
177.05429	13.1
178.05905	3.5
190.04955	15.3
197.10764	2.7
204.06557	16.0
211.12115	1.9
212.09352	3.3
219.02936	2.2
224.09425	3.0
225.10153	4.6
227.11819	2.7
231.06270	1.9
236.09431	2.2
237.10236	12.3
238.10934	2.6
239.08179	2.4
239.11803	4.2
241.09746	3.2
244.03619	1.8
245.12920	2.5
247.14484	3.1
249.10237	3.2
251.11734	7.8
252.08925	2.3
252.12663	2.5
253.09735	7.3
255.02843	4.2
255.11237	2.5
265.09683	13.4
266.10333	2.6
267.11288	3.7
269.12796	2.3
271.10657	3.8
271.14212	1.5
273.12286	5.9
278.06531	7.0
279.11224	9.3
280.08472	3.1
281.09424	2.0
281.12766	5.5
283.10791	4.7
285.12329	2.9
287.05484	3.9
292.08252	2.2
293.09186	15.1
294.09952	4.6
295.10651	1.9
297.12256	6.9
299.10229	2.6
307.10663	4.8
309.12372	5.7
311.10132	3.8
312.11096	4.5
313.11746	7.6
315.04941	21.4
316.05386	4.1
323.10098	1.9
325.11829	20.6
330.07245	2.7
331.07986	3.1
332.07681	1.9
335.10239	7.8
341.11304	16.0
343.12762	2.4
345.09616	19.1
346.10095	4.9
347.10275	4.3
353.11240	19.0
357.14349	3.7
373.13898	8.7
385.13699	5.8
399.15649	2.2
413.12152	8.1
428.15549	1.8
434.20822	1.9
458.17017	3.7
460.18610	2.5
462.20938	1.7
465.18948	9.3
470.38242	1.5
478.19543	5.1
488.18405	9.5
506.19186	100.0
521.21051	2.0
538.21631	13.2
611.24786	7.8
661.16504	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	659.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05511	2.6
57.03426	2.4
60.51035	1.1
65.03923	2.2
67.05187	1.5
67.05498	16.6
69.03405	3.1
69.07040	2.1
71.61883	1.6
79.05479	9.4
81.03389	5.7
81.07032	5.9
82.06583	2.0
83.04961	2.0
83.08590	1.6
85.02889	3.1
91.05477	7.3
93.07040	9.7
94.06557	7.9
95.04940	5.1
95.07339	5.4
95.08582	5.0
96.08112	10.8
97.02875	2.9
97.06498	4.6
98.15392	1.1
103.05438	2.1
105.07013	5.3
106.06520	1.4
107.04964	1.5
108.04460	5.0
108.08112	11.9
109.06509	1.8
109.10118	5.0
110.09676	22.2
110.80401	1.2
111.08080	2.6
117.06982	1.8
119.08535	3.0
120.08106	13.9
121.06503	1.8
121.10126	2.2
122.06029	9.8
123.04401	1.7
123.11664	1.5
124.07578	2.6
128.06201	1.4
129.06949	2.0
131.08556	2.3
132.04454	2.2
133.10103	3.6
134.05984	2.2
135.11615	1.6
136.07539	3.1
137.05920	1.7
137.09663	1.3
138.09119	23.6
140.26170	1.3
145.02856	2.6
145.06514	1.4
145.10088	1.5
147.04346	4.4
147.08015	1.3
147.11613	1.9
148.07527	4.7
151.07593	1.7
152.07065	1.5
157.06436	1.5
160.03947	10.7
161.59250	1.2
162.05440	1.5
166.08618	29.8
167.07030	2.5
167.08513	1.3
172.03839	2.1
173.05992	1.8
173.11752	2.2
177.05405	7.8
178.04956	3.8
180.10197	5.1
182.11688	1.7
188.03328	1.5
190.04976	2.6
193.12247	1.5
197.10703	1.6
198.11559	1.7
199.07419	1.6
204.06653	1.7
209.10689	1.6
211.08662	3.8
211.12277	3.5
212.09306	2.1
213.10207	4.0
223.08736	7.2
223.12177	1.6
224.09357	2.2
225.10194	22.4
226.10959	14.1
227.11702	7.8
229.14325	3.8
235.08784	2.3
235.12216	1.9
236.09399	3.9
237.10239	9.9
238.10957	7.7
239.08159	10.5
239.11760	27.3
240.08838	3.1
240.12527	7.2
241.13336	19.9
248.09425	1.5
249.10199	7.0
250.10938	6.2
251.08139	6.4
251.11774	26.9
252.08911	1.4
252.12431	5.2
253.09795	8.4
253.13220	7.1
254.10432	9.7
263.11783	15.4
264.12411	2.6
265.09677	7.1
265.13281	14.4
266.10480	3.7
266.14096	4.1
267.11252	6.6
269.12735	10.9
271.06107	1.5
271.10712	3.4
271.14218	1.9
277.09634	2.1
278.10455	3.0
279.11191	10.9
281.12802	9.9
283.10785	7.6
283.13495	1.3
285.12332	10.9
286.13004	2.7
291.11160	3.6
293.12863	7.8
297.12344	3.8
298.13080	4.8
299.13885	38.5
300.14371	3.0
307.10684	1.9
309.12228	5.7
310.13025	4.8
311.13846	9.8
313.15411	34.6
314.03827	1.3
315.04895	3.9
319.10770	1.2
320.26093	1.4
323.13852	18.6
324.14523	2.0
325.11984	1.5
325.15381	40.5
326.15802	2.9
327.13538	1.7
339.13153	2.5
341.14914	100.0
342.15167	6.4
343.08139	2.0
345.09561	8.3
351.13205	6.1
352.14056	3.0
353.14832	6.2
358.15384	1.7
369.13458	1.5
370.15033	1.7
371.15955	2.9
372.16653	5.4
373.17551	24.6
383.15948	33.5
384.16599	7.2
385.12802	2.5
385.17529	40.2
386.17911	2.6
446.20792	9.6
462.20285	16.4
463.20322	1.7
474.20236	23.1
475.20380	1.9
479.16693	1.7
487.19321	1.9
494.22769	73.8
495.22992	6.9
497.17709	1.7
501.11526	2.3
506.22806	77.5
507.23325	7.2
537.24420	2.8
538.25146	2.3
577.15381	1.3
609.23334	1.7
627.24121	2.7
631.27258	5.0
641.27252	4.0
659.16492	8.1
659.27319	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	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62092	0.5
52.59785	0.5
53.03941	1.4
55.01856	1.0
55.05502	6.3
57.03439	4.6
57.07064	0.7
59.05012	0.5
61.02914	2.9
65.03936	1.0
67.05496	25.9
68.05860	0.6
68.20703	0.5
69.03414	0.7
69.06709	0.5
69.07062	9.0
71.04971	1.9
71.39564	1.0
73.02909	0.8
79.05031	1.0
79.05481	17.5
81.03392	2.2
81.07047	33.2
82.07368	0.7
83.04972	2.5
83.08607	8.5
85.02895	2.3
85.06522	1.6
91.03944	1.5
91.05465	12.2
93.07037	22.5
93.19398	0.6
94.07335	0.7
95.04965	3.2
95.08586	8.5
97.02872	1.7
97.06523	5.0
97.10169	1.2
99.08092	0.9
105.04493	0.5
105.07014	6.1
107.04938	0.8
107.08585	13.8
109.02911	0.8
109.06483	1.7
109.10144	2.8
111.08064	1.9
115.05434	0.6
117.07005	5.7
119.08561	4.3
121.06477	1.4
121.10136	6.9
123.11693	1.8
125.09570	0.7
129.06999	1.4
131.08556	6.2
133.10118	6.3
135.08022	1.3
135.11699	4.8
139.11195	0.6
143.08553	1.6
145.10121	2.6
147.11668	1.2
149.09554	1.1
149.13237	10.1
150.13585	0.6
151.11220	0.8
155.08565	1.1
157.10109	1.4
159.11693	5.3
161.13278	0.6
171.11691	1.0
173.13176	0.5
177.12782	2.5
185.13252	0.9
195.13780	6.7
213.14764	0.8
251.16385	1.1
269.17450	27.0
270.17859	1.4
291.19540	0.5
345.09589	0.5
353.24884	2.5
361.23499	0.5
371.25827	2.2
389.26953	1.5
427.28351	0.7
445.29495	12.4
446.29892	0.9
463.30505	100.0
464.30859	7.0
481.31494	1.1
607.34949	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	658.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.1
57.03424	17.0
57.07073	33.2
65.03976	5.1
67.05499	81.4
69.07071	30.1
71.08615	31.6
71.58937	9.7
75.59009	5.7
79.05481	30.5
81.07056	68.4
83.08591	25.2
85.10172	20.0
89.06020	16.9
91.05475	17.7
93.07027	27.5
95.08618	37.8
95.91356	6.4
97.06507	10.9
97.10146	18.3
104.31762	6.3
105.07005	18.8
107.08578	24.9
109.10150	55.9
117.07004	6.5
119.08544	23.1
121.10130	11.2
123.11669	6.3
125.09593	14.9
131.08562	8.3
133.08583	13.0
133.10107	11.1
135.11678	8.0
145.10159	7.7
149.09650	7.6
159.11726	8.9
173.11784	14.9
227.12761	16.6
229.14313	77.3
239.23836	6.9
250.63684	7.0
269.17404	18.5
275.20001	24.0
310.82254	6.7
313.27393	100.0
349.23740	25.0
367.24661	13.7
467.37518	39.9
474.91348	5.7
507.40430	25.1
587.46429	16.9
605.47650	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	659.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
67.05483	0.5
71.61845	0.4
71.62241	0.7
81.03431	0.5
81.07069	0.4
85.02875	0.7
91.05472	0.9
93.07050	0.7
95.04951	0.7
95.08618	0.4
97.02892	2.0
97.06494	0.5
113.80923	0.4
119.04929	0.5
120.08061	0.4
122.05996	0.6
134.03613	0.5
135.04436	0.9
136.07547	0.7
137.02357	0.5
137.05972	1.5
138.09070	0.5
145.02826	0.7
147.04390	1.0
149.02332	0.8
153.01817	3.5
160.07608	0.4
162.05481	0.6
163.03912	1.5
163.11174	0.5
164.04584	0.4
164.07144	0.5
165.01859	0.5
166.08638	0.9
167.03383	0.9
167.07092	0.7
170.09650	0.5
172.03952	1.8
177.01726	0.5
177.05437	4.5
178.06133	0.8
181.04919	0.5
187.12355	0.5
191.03329	1.0
193.01433	0.4
198.09218	1.4
203.03400	1.4
204.06560	2.7
205.04959	0.5
215.11800	1.4
223.02496	0.4
226.08594	0.5
231.02853	1.4
241.05000	0.7
241.09549	0.4
243.11276	6.4
257.13000	0.5
268.03741	0.4
284.03189	0.7
285.12299	6.8
297.04062	1.0
298.04669	0.7
299.05438	0.9
301.03595	0.5
301.07147	1.4
301.11859	0.5
303.13361	6.3
311.05725	0.4
315.05048	1.2
321.03836	0.5
323.05551	0.6
325.03818	0.5
330.07465	1.1
331.08286	1.0
333.04050	0.5
336.16925	0.4
339.04999	0.7
345.09711	1.0
349.03537	0.4
387.05231	0.4
403.04248	0.5
405.02493	0.7
413.06128	0.5
419.03836	0.7
421.05682	0.7
425.06924	0.4
431.03900	1.8
433.01700	0.6
449.05164	0.5
453.05740	0.9
454.06924	0.6
461.08664	2.4
461.15945	1.4
469.05606	0.5
470.06039	0.5
479.09830	0.5
479.16968	0.9
481.05524	1.0
482.06567	0.6
495.07120	0.7
497.05020	0.7
497.18179	1.7
498.05737	0.9
509.05188	1.6
523.06781	1.2
525.04834	0.8
527.05914	0.7
535.06512	0.5
536.03644	0.9
537.04034	2.9
538.04626	0.5
541.07532	0.8
550.05536	0.6
551.05896	3.3
552.06854	0.8
553.03680	3.1
554.04620	1.4
565.05951	0.7
566.04944	0.7
567.08801	1.6
569.06903	3.7
579.05621	3.5
580.06396	1.3
581.05804	1.2
582.04034	2.5
583.08569	3.6
584.09967	0.7
593.07050	1.1
595.08392	1.9
596.09039	1.6
597.06512	13.4
598.07196	1.5
608.09357	0.8
609.09961	0.5
611.08032	5.9
611.16791	0.6
612.08777	5.4
613.09766	5.3
626.10138	0.5
627.11212	18.8
627.22162	0.8
628.11761	1.0
641.13226	1.2
641.25494	0.6
659.13855	100.0
660.14111	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	659.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56122	2.5
57.58653	2.3
69.33714	5.9
69.34126	25.6
104.92448	2.8
110.20758	3.0
122.10304	3.1
177.05435	3.9
196.72556	2.5
197.19337	2.7
255.02798	4.9
259.44391	2.8
287.05463	9.9
300.02765	3.2
315.04901	46.0
315.08478	4.4
326.80768	2.9
330.07343	23.0
345.09610	100.0
346.09772	4.3
659.16650	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	659.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01857	1.2
60.11867	0.7
62.70015	0.7
65.03922	1.0
67.05485	2.1
69.03421	1.0
69.07047	1.1
70.90812	1.5
70.91206	1.7
79.05471	2.4
81.03369	2.3
81.07030	2.1
85.02896	1.0
91.05466	2.5
93.07027	2.8
94.06547	2.8
95.04967	1.3
95.07336	0.9
95.08578	2.1
96.08106	2.8
96.47782	0.9
97.02853	2.0
97.06485	1.1
105.07013	1.3
106.06529	1.1
107.04955	1.1
108.04510	1.1
108.08086	2.7
109.02888	1.1
109.10149	0.7
110.09644	6.2
116.04960	2.9
117.03306	0.9
119.08546	1.2
120.04472	0.9
120.08090	4.7
121.10165	1.0
122.06002	4.5
123.04458	0.8
124.07554	5.4
127.03934	0.9
131.08469	1.1
134.05971	1.2
136.07549	6.7
137.02310	1.6
137.05920	1.2
138.09132	6.4
144.04433	5.9
145.02768	1.1
145.10118	0.9
146.05962	2.6
147.04372	1.0
148.07529	1.8
149.02385	0.8
150.05411	1.0
152.06970	1.0
153.06918	0.9
160.03865	1.4
162.05476	3.3
163.03873	1.5
165.09039	1.2
166.08612	10.8
167.57201	0.7
170.09633	4.3
172.03905	28.7
174.05452	1.6
175.08600	1.6
177.01778	2.9
177.05472	2.0
178.04865	0.8
178.06326	1.0
183.02972	0.9
183.06792	0.8
186.09181	1.2
187.12292	5.7
190.04955	6.6
198.09109	23.9
199.08521	0.9
200.09276	1.9
200.10913	1.0
203.03410	1.0
204.06531	41.3
205.04916	1.3
212.10835	5.0
213.10107	1.5
215.11777	18.8
219.02808	3.1
225.10152	2.3
226.08556	6.0
226.10715	1.5
227.08249	1.2
227.11789	2.5
229.13354	1.4
231.02800	1.0
231.11284	1.0
237.10237	1.0
238.83061	0.8
239.11743	1.8
240.10400	1.5
241.09650	2.4
241.13373	1.5
242.10419	2.2
243.11252	100.0
244.11595	2.3
255.11366	6.3
257.12817	4.1
259.99588	0.8
265.09457	1.3
279.11414	1.3
281.04022	1.0
281.12759	1.4
283.10654	1.3
284.11563	1.3
285.12289	97.6
286.12646	2.8
287.05624	1.4
297.06070	2.0
297.12354	2.1
301.11819	5.7
302.12503	0.9
303.13342	89.5
304.13745	2.5
313.11502	1.5
323.05365	1.1
325.11728	6.9
327.04916	0.9
330.07050	0.9
339.09479	1.1
343.12759	1.5
345.09650	2.9
357.09549	4.0
357.14438	4.1
358.15219	1.2
359.07550	1.0
365.10440	1.5
371.12134	1.1
407.14401	0.9
418.17392	2.4
430.17270	1.3
451.17264	1.7
462.16357	1.8
470.16769	2.4
474.16409	3.6
476.18161	3.0
479.17206	6.1
488.18002	1.3
497.17770	3.5
583.25214	3.0
599.25220	4.0
609.23309	1.7
613.26013	1.2
623.24530	2.2
627.11920	1.0
627.24176	5.3
641.16107	1.3
641.26025	13.0
659.16351	5.5
659.26746	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	657.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.8
55.01641	2.8
55.01867	29.3
55.05509	40.9
57.03436	12.8
57.07076	2.4
64.35329	1.7
65.03915	4.1
67.05499	78.4
68.85558	1.9
69.03413	8.2
69.07059	38.5
71.58859	1.8
71.59291	2.7
79.05485	67.9
81.03410	10.2
81.07047	80.1
83.04970	10.8
83.08618	19.9
85.06532	4.8
85.83939	1.9
91.05473	59.4
91.06041	3.9
93.07043	54.7
95.01297	4.6
95.04967	32.1
95.08594	36.8
97.02859	5.5
97.06522	33.7
97.10149	14.8
103.05494	2.9
105.07018	59.6
107.04949	26.8
107.08587	47.0
109.06514	25.1
109.10139	21.4
111.04440	3.4
111.08060	6.3
113.06009	11.5
115.05412	4.7
116.06222	3.7
117.07006	25.2
119.08572	41.0
121.06480	8.4
121.10139	19.0
123.04398	2.4
123.08041	9.5
123.11691	5.6
125.09632	17.2
128.06221	3.4
129.06990	7.7
131.08556	27.9
133.06474	6.0
133.10126	29.0
135.08055	18.4
135.11659	10.0
137.09622	4.7
141.06973	3.7
143.08592	13.8
145.06450	3.8
145.10109	25.9
147.08012	7.1
147.11693	14.5
149.09605	15.0
149.13191	6.0
151.11153	6.9
153.09187	2.8
155.08528	6.1
157.10098	13.2
159.08037	5.0
159.11678	17.1
161.09624	7.5
161.13235	7.0
163.11185	10.1
165.09109	3.9
165.12675	3.0
169.10143	6.4
171.11646	6.7
173.13269	5.2
175.11180	5.2
177.12755	4.8
179.14304	4.7
181.10159	2.9
183.11674	3.7
185.13255	2.7
187.11099	4.8
187.14813	3.7
189.11191	8.4
189.12704	3.0
195.13756	2.9
197.13239	6.1
199.14851	2.8
201.12714	2.6
201.16231	2.8
213.16527	3.2
217.15775	2.9
223.13153	9.8
227.12885	10.9
239.17886	2.8
247.20528	4.5
253.14337	6.0
253.91866	2.1
255.17352	3.4
257.18817	10.6
263.20016	2.9
273.18518	29.5
275.17184	4.5
275.20059	64.1
275.23035	3.4
291.19519	100.0
291.22806	5.0
293.21124	6.3
331.22318	3.1
347.22263	4.9
349.23663	33.1
365.23172	21.4
430.89697	2.4
483.16199	2.4
511.15787	5.6
559.35986	4.5
597.18726	2.6
621.41144	7.6
639.42609	37.6
657.21680	9.3
657.43475	18.5
658.22101	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	657.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
61.45469	1.4
67.05498	1.8
69.44559	7.0
69.44994	8.0
73.31339	1.7
79.05507	1.6
95.78017	1.3
99.86019	1.6
121.37990	1.6
121.43849	1.7
132.08107	1.5
174.09053	1.7
233.10779	1.8
261.10086	1.7
263.11920	1.9
288.15826	1.5
302.16611	1.8
365.17850	2.8
367.19696	1.9
372.59839	1.6
377.17731	3.3
378.18945	2.6
379.19287	4.5
390.18677	2.3
391.19540	3.2
405.20718	4.1
407.18030	3.1
407.22678	3.8
408.19257	2.5
409.20389	3.0
421.20135	5.5
421.24829	2.5
423.21854	19.4
433.19458	1.8
435.22226	7.8
436.22455	4.8
437.23447	4.5
446.20712	3.2
447.21979	2.3
449.23569	2.9
450.24149	2.2
451.20911	3.5
452.22568	2.3
453.22617	3.0
454.20032	5.5
461.23447	5.3
463.21152	2.0
464.22040	2.2
465.22971	5.1
466.22867	2.6
467.24353	2.8
477.22598	5.1
478.23080	4.6
479.24738	8.0
480.23047	1.7
481.22333	2.6
493.22336	5.5
494.26514	6.8
495.23523	12.5
496.24564	7.8
505.22119	2.7
508.24789	15.4
509.25497	11.0
510.26440	12.9
511.27139	14.6
516.23859	2.3
519.23865	2.0
521.25305	6.4
522.26080	3.1
523.23340	5.0
526.29364	3.3
537.24835	23.8
538.25385	10.5
539.26379	1.9
549.25116	2.1
551.22595	2.9
553.28607	8.5
555.25574	2.9
565.24310	5.4
566.24805	2.3
570.28058	5.6
581.27509	29.4
583.25311	7.3
595.28796	1.9
597.17889	3.4
597.27106	60.2
598.12976	2.1
598.27551	14.6
613.30096	81.8
614.30280	6.4
625.26495	100.0
626.26465	9.9
639.27600	3.0
657.29224	8.1
658.09979	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	657.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.6
53.03950	5.3
55.01639	1.4
55.01865	20.9
55.05505	25.8
57.03160	1.8
57.03427	28.4
57.07061	1.8
59.04994	1.9
61.06262	1.1
65.03936	5.9
67.05496	83.7
69.03410	4.6
69.07059	25.2
71.04996	6.4
74.81802	1.0
77.03905	1.9
79.05482	60.1
79.58724	1.0
80.05785	1.1
81.03415	7.2
81.07043	65.9
83.04970	7.9
83.08610	13.3
85.02911	1.3
85.06532	16.3
91.05469	57.8
93.07033	49.9
95.01301	2.1
95.04957	58.2
95.08002	1.8
95.08598	32.6
96.05287	1.6
97.06522	17.3
97.10150	7.4
98.20753	3.0
99.04465	1.5
99.08096	1.3
102.09177	1.3
103.05432	2.1
105.07017	48.0
107.04941	22.7
107.08582	47.1
107.09133	0.7
109.02873	1.2
109.06506	74.0
109.10149	17.7
111.08044	5.1
113.05994	42.0
115.05428	3.3
116.06182	1.8
117.06999	21.1
119.07729	2.2
119.08568	33.0
120.05685	1.3
121.06500	9.7
121.10144	13.1
123.04391	2.4
123.08052	6.9
123.11684	4.2
125.06027	1.4
125.09628	5.9
127.32505	1.0
128.06190	3.6
129.06990	12.9
130.07770	1.9
131.08553	29.7
133.06483	4.7
133.10126	22.7
135.08034	50.3
135.11670	10.2
137.05988	2.4
137.09607	4.7
141.06943	3.0
141.09090	1.6
142.07774	1.1
143.08542	13.6
145.06424	3.6
145.10107	25.6
147.08057	8.1
147.11653	14.7
149.09589	18.2
149.13264	5.8
151.11124	2.8
155.08536	3.6
157.10112	11.8
159.08037	3.6
159.11673	15.0
161.09621	11.7
161.13240	4.5
163.07503	1.3
163.11183	9.9
165.09077	3.4
165.12787	1.3
169.10091	3.8
171.11659	7.0
173.09639	1.3
173.11900	1.4
173.13242	7.6
175.11166	4.3
175.14722	1.5
177.12738	5.8
179.14268	3.1
181.10118	2.8
183.11678	4.2
185.09570	2.2
185.13170	3.0
187.11171	2.5
187.14792	1.9
189.11221	3.8
191.14189	1.7
193.04916	1.3
194.10742	1.2
195.11667	2.5
195.13661	2.2
197.13211	3.1
199.11111	2.0
199.14775	4.2
201.12743	4.2
203.14250	1.2
205.12206	1.9
205.15781	1.2
209.13252	1.5
211.14771	1.9
213.16335	1.2
217.15845	17.3
219.13803	2.2
219.17508	1.3
227.12807	6.5
227.17899	1.2
229.19492	1.6
233.15356	2.0
237.16489	2.5
239.17958	1.7
241.14368	1.7
241.19501	1.6
245.18974	3.5
247.20268	1.9
255.17381	3.2
256.26297	2.0
257.18991	6.1
269.17487	1.2
273.18454	36.7
275.20038	46.4
276.20490	1.6
279.15778	2.0
289.17828	2.2
291.19510	100.0
292.19778	3.1
293.21036	3.7
309.20432	1.4
331.22592	1.2
347.22107	9.4
349.23682	32.0
365.23251	12.3
378.19077	1.4
461.28818	3.9
511.23795	1.2
559.36237	3.1
597.27106	2.5
621.41571	7.1
639.29449	1.5
639.42401	21.6
640.42456	2.3
657.29169	20.5
657.42090	6.4
658.27795	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	657.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02684	2.1
55.05495	2.2
67.05486	3.0
81.07020	3.9
89.29440	2.3
113.68365	2.4
142.31430	2.2
162.73898	2.2
230.27710	2.5
255.11058	3.2
318.15897	2.5
343.65552	2.3
365.17856	3.5
377.17947	3.3
379.19281	6.5
380.20953	2.6
391.19421	3.9
393.21078	4.0
394.17664	3.5
407.18188	4.6
407.22827	3.4
408.18884	2.9
409.20056	6.3
417.16779	2.9
421.19846	5.4
422.20844	4.5
423.21774	14.6
435.21741	13.3
436.22504	5.4
437.23303	5.3
446.21188	2.9
449.23517	4.7
451.21017	4.4
454.19803	7.4
461.23062	7.9
463.21210	4.9
464.21704	3.6
465.22714	4.1
467.24469	4.4
468.24725	3.6
477.23090	5.3
479.24591	4.1
481.21811	4.2
491.20294	3.4
493.22272	7.6
494.26370	4.6
495.23492	13.6
496.24036	6.3
508.24582	14.7
509.25662	13.3
510.26004	9.6
511.27612	15.0
521.25208	7.5
522.26227	4.1
523.23047	4.0
537.24792	23.3
538.25488	12.8
553.27557	8.7
563.26489	2.9
565.23785	2.8
566.24976	3.0
570.28369	6.6
581.27466	25.5
583.25488	5.6
597.27173	58.7
598.27460	9.2
607.24701	2.7
613.30176	72.2
614.30585	3.5
625.26526	100.0
626.26416	8.0
657.28839	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	657.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05495	0.6
57.03426	0.5
57.63629	0.3
67.05500	0.9
69.03425	0.9
70.06580	0.5
70.31870	0.4
70.91471	0.4
79.05502	1.4
79.31584	0.4
80.51228	0.4
81.03419	1.0
81.07042	1.2
91.05486	1.3
93.07040	0.9
95.01337	0.4
95.04984	0.8
95.08591	0.9
97.02901	0.9
98.20663	0.9
105.07053	1.0
107.04954	1.2
107.08611	0.5
109.10133	0.7
119.04899	0.5
119.08575	1.0
121.06466	0.9
121.10147	0.4
123.00791	1.0
123.04494	0.5
131.04962	0.6
133.06485	0.6
133.10104	0.6
134.03641	0.5
135.04433	1.5
137.02269	0.5
137.05963	0.7
147.04413	1.4
148.05162	0.5
149.05946	2.6
151.03934	0.6
151.07553	1.5
153.01823	1.0
153.05463	0.4
157.10202	0.4
162.06767	0.8
163.03925	2.9
163.07489	0.6
165.01910	0.6
165.05460	0.8
165.09106	1.0
167.07083	1.1
175.03911	0.6
175.14871	0.5
176.00975	0.6
177.05443	2.8
178.06256	7.3
179.03391	0.9
179.07030	1.6
185.06042	0.5
189.73293	0.4
191.03384	7.0
191.05052	0.6
191.06949	2.8
192.07834	0.5
192.33453	0.4
193.04927	0.6
193.08701	0.6
195.06548	0.9
201.05537	0.7
202.55177	0.5
205.04935	4.5
206.05661	1.9
213.05492	0.6
215.07048	0.9
221.08089	0.8
222.05267	0.4
227.06844	0.5
231.06528	0.4
241.05054	1.1
243.06699	0.4
245.08035	0.7
253.05055	1.3
254.05675	0.6
255.06590	0.8
257.08145	1.2
259.06009	0.7
267.06473	0.4
268.03693	1.0
269.04538	1.7
271.02774	0.4
271.06085	1.4
281.04486	0.9
282.05185	1.3
283.02560	0.7
283.06100	1.8
284.06931	0.6
285.04535	0.6
285.07550	3.3
286.04935	0.6
286.08377	1.2
295.06122	0.5
297.04001	1.2
298.04709	0.9
299.05511	2.3
300.06436	0.6
301.07269	1.1
311.05505	1.2
312.06305	3.6
313.03656	0.6
313.06946	4.6
314.04361	0.8
314.07642	3.1
315.05042	2.2
315.08698	3.7
316.09650	0.5
329.06683	1.8
330.07352	1.2
339.08713	0.7
344.08957	6.5
345.09805	2.0
348.06277	0.5
349.07080	0.7
367.08246	0.9
375.05328	0.5
377.06598	0.8
384.01266	0.4
389.06696	0.5
391.08435	0.5
393.06317	0.8
405.06091	1.0
411.08051	0.6
420.08759	0.6
421.05655	1.4
433.05765	1.4
435.07437	0.5
436.07910	0.5
437.08939	2.8
447.07401	0.7
463.10361	0.8
479.07690	0.5
493.09418	0.5
528.14154	2.0
537.10181	0.4
553.11279	1.6
555.12360	0.6
565.07056	0.5
567.09814	0.5
571.12683	0.4
577.07227	0.5
579.12653	0.6
581.11047	1.1
591.09265	1.2
593.08643	0.4
597.13147	0.5
599.11682	1.1
607.12207	1.2
609.10242	6.1
611.11975	0.7
613.12518	0.7
623.11823	0.9
624.12262	1.2
625.10883	1.2
627.11658	1.4
629.16620	2.2
639.14539	1.2
657.15979	100.0
658.16211	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	657.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99790	0.3
55.05506	0.6
57.03417	0.5
57.86054	0.3
67.05483	1.1
68.99790	0.4
70.08399	1.8
71.13576	0.3
79.04997	0.3
79.05478	1.1
79.71223	0.3
81.03398	1.1
81.07050	1.2
83.04980	0.9
83.08606	0.5
85.02904	0.5
91.05480	1.2
93.07021	0.9
95.01318	0.5
95.04945	0.9
95.08596	0.5
97.02882	0.9
97.06504	0.5
98.21472	0.3
105.07018	1.1
107.04939	1.0
107.08569	0.7
108.09730	0.3
109.10169	0.7
111.08046	0.3
119.04993	0.3
119.08614	0.4
121.06494	0.9
121.10146	0.5
123.04449	0.5
125.09637	0.6
129.07037	0.4
131.04994	0.4
133.10112	0.5
134.03642	0.4
135.04332	0.4
136.05214	0.5
137.05974	0.6
145.02902	0.3
147.04401	1.1
147.11668	0.4
148.05264	0.4
149.02325	0.4
149.05988	1.3
149.09645	0.4
149.33475	0.3
151.03908	0.6
151.07501	2.0
153.01875	0.7
156.18484	0.3
161.02338	0.5
161.05945	0.5
163.03908	1.7
163.11205	0.6
164.04666	0.5
165.05507	0.6
165.09076	0.4
167.07079	0.6
175.03828	0.5
175.07573	0.4
177.05429	1.8
178.06258	4.3
179.03426	1.3
179.07024	0.6
181.08624	0.7
189.01894	1.7
189.05458	0.4
191.03418	0.9
191.07024	2.1
193.04979	0.8
193.12300	0.3
195.06479	0.4
203.03358	0.5
205.05032	1.4
206.05766	0.4
207.02769	0.4
213.05476	0.4
217.04956	0.4
225.05681	0.3
241.04968	1.0
242.05664	0.4
245.89412	0.3
248.36632	0.3
254.05746	0.9
255.02933	1.0
257.08145	0.5
263.06860	0.4
267.15860	0.7
268.03665	0.4
269.04480	0.9
269.08047	0.3
270.05334	0.4
271.05954	0.5
282.05212	2.0
283.05984	0.9
285.04477	0.5
285.07330	1.7
287.05496	0.9
289.05118	0.4
297.07568	0.4
298.04727	0.7
299.05499	0.7
303.06393	0.4
311.05399	0.7
312.06335	0.8
313.07092	2.2
314.04324	0.5
314.07654	0.7
315.05020	3.2
315.08511	0.6
319.05914	0.7
321.07672	0.4
323.05640	0.4
323.09659	0.4
325.07074	0.5
327.08636	1.3
329.06689	0.7
330.07339	1.2
331.06149	1.0
332.06683	0.4
333.07584	0.4
335.05692	0.5
344.08902	2.5
345.03638	0.3
345.09711	2.2
347.05573	1.3
348.06290	0.5
349.07159	1.0
359.05576	1.1
360.06143	0.4
361.07059	0.7
363.04968	0.8
363.08853	0.9
375.05060	1.0
375.08963	0.6
376.05719	0.7
377.06302	2.2
387.04956	0.4
388.05905	1.1
389.06628	1.1
391.04318	0.9
391.08603	1.8
403.04126	0.7
404.05017	2.4
405.05884	3.6
406.06812	3.4
407.07959	0.7
417.06061	0.7
418.06985	1.1
419.07864	1.4
420.08405	11.6
420.14117	0.7
421.09262	4.1
431.04047	0.8
433.09946	0.6
443.07544	0.4
447.07098	7.3
459.27527	0.4
463.07916	0.6
509.12375	0.3
519.08063	0.3
521.08612	0.4
525.11798	0.4
528.14362	0.7
538.09314	0.4
553.11230	1.2
563.09613	0.5
571.12097	1.0
581.10278	1.8
589.20282	0.3
591.09393	0.6
599.11902	0.6
609.09888	2.9
611.11774	1.1
613.13373	0.5
624.12646	2.7
625.13062	0.5
627.11365	1.9
629.16333	0.4
639.13995	0.4
639.23987	0.3
641.13269	0.9
642.13538	0.4
657.15967	100.0
658.16296	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	657.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
59.40271	0.3
67.05496	1.3
69.03408	0.8
69.07042	0.5
70.06599	0.4
71.05025	0.4
79.05492	0.5
81.03402	1.3
81.07051	1.4
83.04948	0.4
85.02906	0.4
91.05470	1.2
93.07025	1.1
95.04975	0.7
95.08608	0.6
97.02872	0.5
98.20655	0.7
105.07001	0.8
107.04940	0.9
107.08540	0.5
109.10152	0.9
119.08555	0.8
121.06462	0.4
121.10109	0.5
131.04900	0.6
135.04379	0.4
137.02333	2.7
137.05949	0.7
145.02843	1.0
145.10143	0.6
147.04401	1.2
149.02359	0.6
151.07553	0.6
161.05991	0.4
163.03931	1.0
165.09041	0.5
167.07028	0.7
177.05435	2.6
178.06226	1.3
179.03465	0.9
179.07008	0.9
181.08536	0.5
187.02243	0.4
187.03842	2.1
189.01945	0.6
191.03413	0.8
191.07019	3.2
193.08615	0.4
201.05721	0.5
205.04979	1.0
215.03383	1.3
219.06380	0.4
225.05482	0.6
240.04231	0.5
255.02809	0.5
257.04541	0.5
268.03732	1.3
281.04419	0.6
281.78741	0.5
283.06033	0.9
285.04059	1.1
285.07559	1.3
299.05496	1.0
300.06418	0.7
309.03949	0.6
312.06302	0.7
313.07199	0.5
315.08588	0.9
319.05893	0.5
334.04620	0.4
343.06055	0.6
345.09753	1.5
347.05338	0.5
359.05499	0.5
361.03336	0.6
371.05124	0.6
387.04855	0.4
389.02866	0.9
403.04068	0.6
405.06293	0.8
407.04108	0.5
415.04318	0.7
450.08029	0.5
451.08182	0.5
465.10684	0.5
477.05679	0.5
478.06958	0.8
479.07541	1.2
505.05377	0.8
506.05966	0.5
507.06836	2.0
509.04654	0.5
521.09290	0.9
523.06970	1.5
528.14282	0.7
533.05383	1.1
534.05963	0.8
535.06348	2.2
537.03845	0.5
537.11865	0.8
539.10107	0.5
547.06543	0.8
549.08051	4.1
550.09161	0.6
551.06995	2.0
552.07190	0.6
562.04858	0.7
563.06042	1.8
564.07288	0.5
565.10992	1.6
566.07800	0.4
567.08899	2.1
575.10120	0.5
577.07416	4.7
578.08643	1.3
579.05688	3.2
580.06342	2.0
581.10962	3.7
582.10950	0.6
591.09210	0.9
593.10870	2.3
594.09351	1.2
595.08496	8.9
596.09259	1.1
607.12054	0.5
609.10229	7.4
610.10870	5.6
611.11841	3.7
624.12384	1.1
625.13336	18.7
626.13599	1.5
639.15149	1.0
657.15930	100.0
658.16321	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	657.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
57.07040	0.2
60.27359	0.2
62.59259	0.2
66.66871	0.2
67.05504	1.0
68.99768	0.3
69.03414	0.3
69.07049	0.5
69.32260	2.9
71.04990	0.2
75.40025	0.3
79.05476	0.9
81.03419	0.9
81.07053	0.7
83.04951	0.4
83.08593	0.3
85.02914	0.4
91.05460	1.1
92.01077	0.2
93.07026	0.5
95.04957	0.9
95.08596	0.7
97.02891	0.6
102.45096	0.3
105.07026	0.7
107.04957	1.1
107.08621	0.6
109.10123	0.4
117.03332	0.4
117.07004	0.3
119.08584	0.3
121.06505	0.4
121.10126	0.5
123.04455	0.4
123.08004	0.3
131.08545	0.3
132.48581	0.4
133.10100	0.4
135.04407	1.3
136.05235	0.5
137.05939	0.4
139.07497	0.3
145.02846	1.0
147.04437	1.1
148.05200	0.5
149.02325	0.5
149.05969	1.5
151.07541	1.0
153.01836	0.4
163.03940	1.6
163.07484	0.4
164.04654	1.8
165.05464	0.5
165.09135	0.6
167.07074	0.7
175.03894	0.4
177.05438	3.3
178.06165	2.1
179.03651	0.3
179.07036	1.6
181.08592	0.3
191.03328	1.5
191.07027	0.9
193.04958	0.3
193.12244	0.4
202.02664	0.5
205.04938	1.6
206.05739	0.5
229.01234	0.5
229.04941	0.4
230.02071	0.4
240.04231	0.4
241.05019	0.6
253.04913	1.1
254.05779	0.4
255.06450	0.4
258.01602	1.3
259.02393	0.7
263.07245	0.3
267.15948	0.7
269.04477	0.7
269.08096	0.4
271.06055	0.7
281.04269	0.6
282.01791	0.3
282.05087	0.7
283.02426	0.3
283.06125	0.5
284.06671	0.6
285.04074	0.6
285.07526	0.5
286.08322	0.7
290.70370	0.3
291.06436	0.3
297.04144	0.4
299.05322	1.6
300.06320	0.5
301.07275	0.3
312.06323	2.6
313.07059	0.6
314.07809	1.8
315.05109	0.5
315.08539	4.2
319.06152	0.5
320.07010	0.3
333.03943	0.4
337.07159	0.4
339.08838	0.5
343.08206	0.3
345.09634	0.8
347.05582	0.9
349.07175	0.6
350.04233	0.5
357.03864	0.4
360.02353	0.4
361.07202	0.4
363.08871	0.4
365.06586	0.4
373.03464	0.5
374.04245	0.7
375.04944	2.3
376.05667	0.4
378.03699	0.3
388.01764	0.3
390.03537	0.4
391.04156	0.4
392.05377	0.3
393.06113	0.9
402.03839	1.2
403.04425	3.3
404.05133	0.7
405.05978	1.0
406.03098	0.6
417.06186	0.5
418.06799	10.4
419.07602	0.9
420.04553	0.5
421.05423	3.8
435.07260	1.2
436.07877	9.0
437.08716	1.2
447.03705	0.6
450.09741	0.5
451.09921	2.0
463.06543	0.8
467.07593	0.4
475.35501	0.3
491.10025	0.3
521.08575	0.5
528.14075	0.9
535.10132	0.4
549.08881	0.4
553.11084	0.9
555.12964	0.3
563.10321	0.4
565.07794	0.4
571.12201	0.5
579.13428	0.4
581.10797	1.6
593.07141	1.0
595.10834	0.4
599.11914	1.0
600.07404	0.3
609.10199	7.1
611.12732	0.7
625.13654	0.4
627.10986	2.6
629.16431	0.6
639.14813	0.7
641.13049	1.1
642.13672	0.4
657.15936	100.0
658.16321	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	657.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01862	1.5
55.05505	4.1
57.03428	4.3
61.02919	12.0
61.03232	0.6
65.03933	1.0
67.05497	7.0
68.99788	1.5
69.03421	7.2
69.07072	2.8
70.00986	1.9
71.01339	0.9
71.04973	1.3
75.04445	0.4
79.05487	7.2
81.03409	5.3
81.03838	0.6
81.07049	7.3
83.04976	1.9
83.08618	2.2
85.02894	14.6
85.06566	0.7
91.03947	7.8
91.04501	0.6
91.05465	9.5
93.07030	7.8
95.01327	1.5
95.04977	2.3
95.08596	5.9
97.02879	10.9
97.03488	0.7
97.06542	1.1
97.10153	1.6
99.03889	0.3
99.04432	2.2
99.07988	0.3
101.02374	1.3
103.03928	1.2
103.05411	1.0
105.07011	7.1
107.04931	3.0
107.08582	4.7
109.02864	2.0
109.06511	1.1
109.10153	2.9
111.04440	0.8
111.08073	0.9
115.03899	0.8
115.05456	1.2
117.05477	0.6
117.06993	4.6
119.04935	0.5
119.08566	6.2
121.06499	1.3
121.10113	4.5
123.00790	1.6
123.04404	0.7
123.08035	0.9
123.11717	0.9
125.05967	0.9
125.09607	1.1
127.03902	4.8
128.06213	1.1
129.05481	0.9
129.06975	2.6
131.04955	1.0
131.08549	5.8
133.06474	1.2
133.10101	4.8
135.04472	1.7
135.08046	1.0
135.11673	2.1
137.02274	0.4
137.05957	0.9
137.09612	1.8
139.03857	0.8
141.06979	1.2
142.07777	0.5
143.08543	2.5
145.02849	1.0
145.04973	3.3
145.06447	1.1
145.10085	4.5
147.04408	1.0
147.07986	0.7
147.11691	4.0
148.05217	0.9
149.02371	1.0
149.05998	1.4
149.09601	0.9
149.13255	1.6
149.19455	0.4
151.03920	0.4
151.07504	0.5
153.01819	3.5
153.09146	0.4
154.07710	0.4
155.04906	0.5
155.08556	1.1
156.05649	0.4
157.06503	1.0
157.10115	2.2
159.04372	0.5
159.08003	0.9
159.11679	3.3
161.05980	0.9
161.09599	0.4
161.13228	1.8
162.06807	1.2
163.03882	5.9
163.06053	1.5
163.07520	1.0
163.11191	1.0
163.14891	0.7
165.05508	0.4
165.07027	0.7
165.07640	0.7
165.09093	13.8
167.07066	1.2
167.08533	0.6
169.01289	0.8
169.06473	0.9
169.10133	1.1
170.02162	0.7
171.07991	0.8
171.11636	2.1
173.05978	0.6
173.09641	0.5
173.13290	1.6
175.07521	0.6
175.11165	1.1
175.14813	0.7
177.01912	0.4
177.05432	2.4
177.12827	0.4
178.06236	19.4
179.03392	0.7
179.06860	1.1
179.08478	0.5
181.06467	0.5
183.02914	0.6
183.04326	0.7
183.06534	0.5
183.08044	0.5
183.11687	1.3
184.05122	0.7
185.05931	1.0
185.09657	0.8
185.13295	1.3
187.03937	0.7
187.07556	0.5
187.11200	0.5
187.14854	0.8
189.05487	0.5
189.11163	0.5
189.12711	0.6
191.03435	1.6
191.06981	2.8
192.07816	0.8
193.08656	0.5
193.10313	0.4
193.12270	0.7
197.05975	1.1
197.13275	1.3
198.02953	0.4
199.03912	0.6
199.07451	0.8
199.11224	0.9
199.14804	0.8
200.04576	0.8
201.05502	1.0
201.12755	0.5
203.10799	0.7
203.14293	0.4
205.05046	0.8
205.12173	1.9
206.05763	0.6
207.11748	0.3
211.03920	0.7
211.14835	0.5
212.04765	0.8
213.05351	2.4
213.12804	0.5
214.06389	0.7
214.27704	0.3
214.55106	0.4
215.03374	1.3
215.07043	1.6
215.14362	0.7
216.04201	1.4
217.04990	0.7
217.08661	0.7
219.62448	0.4
223.14812	0.6
225.05586	1.1
226.06313	0.6
227.03409	0.8
227.07083	1.5
227.12709	0.6
228.04178	1.3
228.07933	0.4
229.04994	1.7
229.08592	0.7
230.05779	0.6
231.02875	0.4
231.06651	0.9
239.03310	0.9
239.14388	0.6
240.04201	1.2
241.04926	3.5
241.19543	1.4
242.05721	1.1
243.06413	3.1
244.03682	1.0
245.08119	0.8
252.04218	0.5
253.04915	3.5
254.02103	0.4
254.05678	2.6
255.02841	2.1
255.06468	2.4
256.03671	0.6
257.04434	1.8
257.08072	3.1
257.19034	0.7
258.05249	0.7
259.06039	1.7
259.09747	0.5
259.20587	3.5
267.03104	0.4
267.06464	0.5
267.15918	2.6
268.03687	2.5
269.04379	4.7
270.02423	0.4
270.05249	2.1
271.02579	1.2
271.05954	9.1
271.08679	0.6
272.03189	0.5
272.06671	0.7
273.07608	1.3
273.22232	0.6
275.20016	0.6
277.21667	0.8
281.04431	2.5
282.05148	6.0
283.02512	1.2
283.06039	4.5
284.03629	0.6
284.06689	3.4
285.04077	2.5
285.07623	9.5
285.16809	0.6
286.04712	1.2
286.08301	1.9
287.05475	3.1
295.06110	0.4
296.03189	0.7
297.03931	3.6
297.07178	0.5
298.04691	2.2
299.01898	1.1
299.05435	9.9
299.08902	0.9
300.02911	0.7
300.06247	2.3
301.07037	6.5
301.21667	1.3
311.05588	1.8
312.06238	9.7
313.03482	2.0
313.06958	13.1
313.10611	0.7
313.21759	0.5
314.04236	3.4
314.07736	19.0
315.05005	12.0
315.08661	18.0
315.23206	0.6
316.09247	1.1
325.21609	0.5
327.08740	0.7
328.05682	0.8
329.06479	7.0
330.07266	4.8
331.08182	0.4
333.24197	6.0
343.08072	3.8
344.08868	32.7
345.09616	11.8
346.10007	0.6
349.21896	0.5
363.25507	0.5
367.22537	2.2
375.25378	0.8
385.23636	0.9
403.24841	0.9
417.26831	0.7
423.25269	0.5
429.26459	0.4
441.26343	3.8
442.26651	1.7
459.27103	3.3
460.27744	1.6
477.28458	3.1
495.29483	1.4
581.10516	0.5
607.21594	0.6
609.10004	0.9
627.11023	3.0
641.12695	0.8
642.13568	1.3
657.15936	100.0
658.16345	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	656.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67840	1.7
55.01865	2.0
55.16712	1.5
55.66591	1.6
57.03422	5.1
59.06118	2.2
60.08147	1.7
61.02915	2.2
68.99780	2.4
69.03427	14.9
69.47105	5.0
69.47535	10.1
70.06578	5.0
73.75896	1.6
74.06029	1.7
81.03400	3.7
84.08092	2.0
85.02891	14.7
86.09682	1.9
87.04463	9.5
91.05482	1.8
97.02882	16.7
97.06464	2.0
98.21439	2.3
109.02856	3.2
111.04393	2.2
115.03923	10.4
121.86658	1.7
123.04377	2.0
126.05538	1.7
127.03880	6.2
133.04922	7.6
135.04367	1.9
135.82077	1.8
137.02333	100.0
137.03386	6.0
137.05934	2.0
137.18040	1.5
147.04381	1.8
151.03810	2.0
153.01790	9.3
162.05478	2.5
163.03850	2.3
164.07039	2.6
165.01820	2.5
167.03288	1.9
177.05542	2.3
181.04910	2.2
191.03346	3.3
207.02864	2.2
208.06027	5.3
209.04390	6.2
217.05051	2.4
218.04425	2.7
229.05026	2.3
245.04329	3.2
253.04935	1.9
257.04391	3.1
259.05930	2.1
271.05823	1.9
273.03973	9.3
281.04358	3.2
298.07114	5.0
299.05481	5.9
301.03369	11.1
301.06628	2.7
303.01501	2.6
303.04916	35.7
308.39304	2.1
316.08176	6.2
317.06445	2.1
319.04477	18.1
326.06509	5.0
327.04916	39.9
344.07626	53.1
345.06000	22.4
362.08658	22.4
441.71555	1.7
608.44562	1.7
656.00946	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	656.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01856	5.4
55.05502	24.6
57.03423	4.3
59.05005	1.4
61.02920	3.2
65.03928	1.5
67.05491	24.8
69.03404	7.6
69.07056	9.1
71.04967	2.7
71.13661	3.4
71.50488	1.3
79.05484	23.2
81.03423	7.4
81.07046	22.7
83.04969	3.4
83.08604	14.4
85.02894	5.7
91.05463	28.3
93.07029	15.0
95.04953	5.3
95.08587	8.1
97.02876	4.5
97.06512	4.5
97.10159	24.6
103.05463	11.2
105.03369	8.9
105.07011	18.6
106.03699	3.1
107.04940	6.1
107.08586	15.5
109.02845	1.7
109.06493	3.8
109.10152	5.5
111.08052	3.4
115.05438	5.7
117.06997	32.5
119.08557	11.6
121.06473	3.1
121.10130	4.2
123.04402	1.5
123.08029	2.2
125.09613	22.4
127.03891	1.6
128.06226	4.4
129.06976	15.7
131.04984	1.6
131.08543	24.9
133.06479	6.5
133.10101	6.2
135.08051	6.2
137.05908	2.6
141.06949	8.7
143.08543	8.6
145.06520	7.0
145.10086	8.1
147.08028	3.0
147.11699	1.8
148.05177	3.8
149.06000	2.0
149.09608	2.3
151.78625	1.4
153.01880	1.8
155.08514	9.8
157.06514	2.6
157.10130	5.0
159.08043	4.4
159.11642	2.8
161.05908	2.4
163.07613	2.0
167.08521	5.2
169.10106	5.5
171.08046	2.7
171.11702	3.7
179.08548	1.5
181.10118	2.5
183.11632	1.8
185.13274	2.1
187.11093	2.3
187.14799	5.8
189.11214	11.5
189.12708	2.4
191.06952	1.7
195.11716	2.5
197.13223	10.2
205.12286	1.7
213.12695	2.5
215.14278	31.2
227.12735	20.3
233.15312	2.2
241.12236	2.3
250.75291	1.5
255.06474	1.6
267.16016	1.7
270.37418	1.5
271.16852	3.3
283.05957	2.1
285.07547	1.6
300.06226	1.7
303.05109	2.0
312.06198	2.5
313.06888	2.6
314.07755	11.7
315.08475	7.0
329.06561	2.4
339.23260	2.4
344.08759	3.2
345.09637	3.5
349.21597	4.8
361.08847	1.8
362.09528	2.3
367.22690	13.8
369.09491	1.6
385.23691	10.1
403.24786	2.3
441.26282	48.9
442.27014	2.4
459.27362	100.0
460.27573	6.0
477.28369	13.8
519.37183	1.5
582.22693	1.8
656.25690	1.8
657.15936	26.7
657.25836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.2
55.01870	6.8
55.05505	15.0
57.03427	13.3
57.07040	1.2
59.04956	0.8
65.03929	3.0
67.05495	34.6
69.03416	6.0
69.07059	21.6
71.04989	2.5
71.60386	0.5
79.05484	26.8
81.03410	4.2
81.07047	24.1
81.55907	0.4
83.04980	3.2
83.08608	5.4
85.02871	0.8
85.06530	9.1
91.05469	25.0
91.06041	1.2
93.07033	21.8
94.04131	0.5
94.07346	0.5
95.01266	0.6
95.04955	29.7
95.08596	11.9
96.05244	0.5
97.02893	5.2
97.06513	5.3
97.10163	7.5
99.08086	1.0
103.05436	0.8
105.03314	0.6
105.04455	0.5
105.07021	18.8
107.04944	9.1
107.08583	15.5
108.05683	0.5
109.06506	32.8
109.10148	6.0
111.04369	0.8
111.08071	2.6
113.05988	20.6
114.21648	0.5
115.05433	2.2
116.06269	0.5
117.07014	10.6
119.04889	1.0
119.07770	0.8
119.08559	13.6
120.05654	0.4
121.06500	4.8
121.10123	4.6
123.08044	4.8
123.11680	0.6
125.05971	0.6
125.09615	5.1
127.03878	0.6
128.06224	2.5
129.07005	6.8
130.07733	0.8
131.08549	14.6
132.05676	0.5
133.06485	3.8
133.10107	7.7
134.07198	0.8
135.08031	20.8
135.11638	5.6
137.05931	1.1
137.09557	1.3
139.07468	0.7
141.06935	1.6
142.07722	0.9
143.08539	7.3
145.06416	1.6
145.10101	9.3
146.07201	0.5
147.08012	6.8
147.11670	4.1
149.09624	3.3
149.13228	2.7
151.11133	0.9
153.09058	0.7
155.08548	2.4
156.09186	0.8
157.08998	0.7
157.10094	5.4
159.08028	2.9
159.11681	5.5
161.09608	7.0
161.13193	1.9
163.07466	0.6
163.11131	3.0
165.06992	0.6
165.09102	1.6
167.08534	0.7
169.10086	1.7
171.10324	0.6
171.11685	3.3
173.09554	1.4
173.11844	0.5
173.13191	2.0
175.11156	4.6
177.12727	3.4
179.10594	0.5
179.14241	1.1
181.10095	0.8
183.11649	2.3
185.09546	0.9
185.13206	2.4
187.11189	1.2
187.14798	0.8
189.11156	1.8
189.12672	1.1
193.10062	0.6
193.12320	0.6
195.11636	1.0
195.13705	1.5
197.13223	1.1
199.11119	1.4
199.14832	2.0
201.12660	0.9
203.14293	1.1
205.12167	1.1
209.13028	0.5
211.14873	0.6
213.12822	0.7
217.15846	7.3
219.13724	0.8
223.13202	7.6
227.12720	1.8
227.17915	1.7
231.13707	0.6
233.15448	1.2
237.16496	1.2
241.15855	0.6
245.18997	2.7
249.14914	2.9
255.17438	3.2
263.20160	1.0
273.18457	32.0
274.18668	1.0
275.20004	1.8
278.85175	0.5
289.17953	0.9
291.19498	100.0
292.19778	3.0
299.19806	0.7
301.15005	0.5
309.20554	1.5
315.04901	0.5
319.22537	0.8
329.21066	1.1
345.09399	0.7
347.22137	9.7
363.21738	0.6
365.23151	7.6
393.27991	0.6
458.17584	0.6
536.20007	1.1
543.36737	1.0
577.24493	2.0
578.25220	0.7
595.25537	1.1
623.25378	1.9
637.26556	2.4
637.40887	6.2
655.28003	5.2
655.41925	43.8
656.28229	1.4
656.42297	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	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
65.47532	0.2
67.05471	0.4
75.04467	0.3
79.05491	0.5
81.07029	0.9
85.43616	0.2
91.05441	0.4
93.07026	0.6
95.08611	0.4
105.07008	0.3
107.08589	0.2
213.84340	0.2
275.20187	0.3
291.19489	0.4
371.52942	0.2
377.17792	0.3
379.19440	0.3
391.19348	1.0
392.19980	0.7
393.20706	0.4
404.15680	0.3
404.20514	0.2
405.16434	1.8
405.21024	0.7
406.17374	0.4
406.21933	0.4
407.22394	4.4
408.22806	0.5
418.17871	0.8
419.18045	2.6
419.23404	0.4
420.18777	1.4
420.24176	0.3
421.19623	1.1
432.19244	0.4
433.15424	0.4
433.20648	5.4
434.21002	4.7
435.21762	8.5
436.22617	1.3
445.20810	0.3
446.20929	0.3
447.17825	1.6
447.22153	1.6
448.18323	0.7
448.22757	1.0
449.18945	1.8
461.19577	1.4
461.24109	0.7
462.20285	5.0
463.21210	4.3
464.22159	0.3
466.24231	0.3
475.21609	1.5
476.22208	1.2
477.22955	1.6
478.23645	0.6
479.20685	0.8
479.25113	0.3
489.22836	1.1
490.23727	0.3
493.21594	1.1
494.22980	0.3
495.23517	1.0
505.22574	0.6
506.23306	0.6
507.19739	0.7
507.24069	0.7
508.24878	2.0
509.25342	2.3
510.26001	0.4
520.24561	0.3
521.25604	12.1
522.25592	0.9
534.21899	0.3
535.26495	0.7
536.27234	0.3
540.27173	0.4
547.26807	0.7
549.24902	18.7
550.25305	1.4
553.23956	1.2
563.26624	3.4
564.27301	0.7
567.26752	0.3
577.24530	0.6
580.23816	0.2
581.27667	3.4
582.28082	0.2
595.29236	9.0
596.29254	0.8
607.29236	0.4
609.26996	10.5
610.27325	0.7
623.28632	1.2
655.31171	100.0
656.31512	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	655.2749
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03926	1.3
55.01863	2.6
55.05507	8.0
57.03424	2.2
61.46913	1.1
66.13554	1.2
67.05501	10.5
69.03419	2.9
69.07063	7.7
71.04976	2.2
79.05487	12.1
81.03397	2.9
81.07050	12.9
83.04978	2.4
83.08595	3.0
91.05479	11.2
93.07040	9.9
95.04986	5.6
95.08596	4.9
95.96948	1.0
97.02910	1.6
97.06495	2.2
97.10159	2.3
105.06995	7.1
107.04932	3.6
107.08562	6.0
109.06518	3.2
109.10138	2.7
117.07007	3.7
119.08587	5.8
121.10152	3.5
123.08074	2.7
125.09647	1.6
129.06985	1.8
131.08542	5.2
133.10127	3.3
135.08041	2.3
135.10475	1.2
135.11688	2.4
143.08559	2.4
145.10138	3.5
147.08058	1.9
147.11703	1.8
149.09589	1.4
159.08118	1.4
159.11646	1.3
171.11722	2.9
175.11195	1.6
178.15868	2.3
179.16290	1.7
183.11679	1.4
185.13194	1.4
193.12260	1.4
223.13304	2.0
249.10469	1.3
253.13434	2.2
257.19009	2.4
269.12842	2.3
273.18423	5.9
275.20068	4.6
276.13449	1.8
289.17859	2.3
291.19556	14.2
294.10016	1.6
320.16251	3.4
321.16754	2.4
345.09705	2.3
347.22607	1.7
349.23749	1.6
353.11066	5.7
361.09030	2.2
363.21503	2.9
365.23022	1.6
391.19180	1.8
396.07999	1.4
405.16782	2.2
407.22656	1.4
409.20422	1.6
417.16742	2.0
418.17953	3.5
419.18088	5.9
421.20212	2.2
431.18573	1.9
432.19467	2.6
433.20557	6.4
434.20822	3.3
435.21631	5.0
447.16733	2.1
447.22855	6.3
449.19519	1.9
460.18454	6.7
461.18939	2.7
461.24612	2.1
462.20340	2.0
463.21503	2.1
465.19006	1.6
473.19690	4.1
475.21515	9.2
488.18323	4.4
489.23370	10.3
490.22714	1.3
491.20572	3.3
492.21539	2.0
493.22702	1.5
499.21194	1.7
502.19684	1.7
503.20444	3.9
505.22562	1.7
506.23459	1.7
507.23975	2.1
517.22083	4.5
521.25519	3.5
523.23364	1.5
533.21594	3.9
534.22650	3.8
535.23236	4.4
545.21552	1.5
548.24286	6.2
549.24927	9.8
559.23444	2.0
562.22162	9.9
563.22504	2.4
577.24402	100.0
578.24854	7.6
595.25134	4.5
605.23969	10.5
619.25446	4.7
619.40271	2.3
623.24811	7.7
637.26550	36.8
637.41754	2.5
638.26556	2.8
655.27356	63.4
655.41492	17.2
656.27502	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	655.2753
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03943	0.9
55.01867	1.3
55.05512	2.6
57.03431	2.1
60.37401	0.4
67.05497	6.6
68.84908	0.4
69.03436	0.5
69.07059	1.6
71.04977	0.4
71.58612	0.7
73.15139	0.3
79.05486	5.2
81.03416	1.1
81.07047	5.7
83.04984	1.1
83.08635	1.2
85.02930	0.5
85.06532	1.1
91.05479	4.9
91.93250	0.4
93.07037	4.6
95.04950	3.2
95.08602	3.1
97.02880	0.5
97.06533	1.3
105.07021	4.6
105.27656	0.4
107.04953	1.8
107.08584	3.5
109.06516	4.3
109.10142	1.9
111.04469	0.5
111.08101	0.5
113.05994	2.1
115.05467	0.6
117.07030	1.4
119.08558	2.6
121.06498	1.3
121.10155	1.6
123.08044	0.9
129.06979	1.0
131.08568	2.8
133.06543	0.9
133.10115	2.5
135.08060	2.7
135.11694	1.3
137.09674	0.4
141.06932	0.5
143.08597	0.8
145.06502	0.6
145.10101	2.2
147.08070	1.1
147.11679	0.7
147.46713	0.4
149.09608	1.2
149.13295	0.4
151.11169	0.7
153.12662	0.4
155.08546	0.4
157.10098	1.0
159.08025	0.8
159.11700	1.2
161.09621	1.1
161.13301	0.7
163.11153	0.5
169.10127	0.6
171.11694	1.1
173.09673	0.7
173.13293	0.6
175.11183	0.6
177.09142	0.5
185.13248	0.4
197.80049	0.4
199.11209	0.5
199.14995	0.4
201.12889	0.4
217.15897	1.1
233.15274	0.6
245.18971	0.5
253.14082	0.5
273.18484	4.1
275.20102	1.7
285.66434	0.4
289.18033	1.1
291.19534	5.9
347.22339	1.3
349.23676	0.7
362.15225	0.6
363.16165	0.7
363.21414	0.8
365.23193	0.7
376.16873	0.6
377.17810	1.4
378.18558	0.5
379.19083	0.6
390.18555	0.8
391.19385	2.1
392.20016	1.0
393.20953	1.1
403.19666	0.5
404.15952	0.9
404.20526	0.5
405.16370	2.5
405.21140	1.4
406.17218	0.7
406.21964	0.7
407.22440	4.6
408.22839	0.7
417.16989	0.5
418.18048	1.6
419.18158	5.0
419.23550	0.7
420.18942	2.3
421.20172	2.0
431.18674	0.7
432.19421	0.9
433.20407	10.6
434.20999	7.0
435.21814	6.2
446.21021	1.1
447.18027	2.1
447.22580	1.5
448.22861	0.6
449.19809	1.6
461.19681	1.3
462.20395	3.6
463.21213	3.6
464.22397	0.5
465.19437	1.8
466.19907	0.6
475.21228	1.3
479.20871	1.3
489.23203	0.9
490.19244	0.8
491.20721	1.2
492.21097	0.5
493.22687	1.6
503.20676	0.5
505.22226	0.8
507.19971	0.4
508.21045	0.9
520.24634	1.4
521.25671	9.0
522.25653	0.6
543.37061	0.6
548.23907	1.1
549.24963	11.8
550.25031	1.3
552.23938	0.6
565.24683	1.1
577.24371	7.4
578.24957	1.1
580.26788	1.1
581.27539	2.0
595.25531	4.9
609.27393	3.4
637.26428	5.0
637.40930	1.9
638.26837	0.8
655.27570	100.0
656.27893	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	655.1855
Annotation	6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03931	0.2
55.01849	0.5
57.03434	1.8
60.62680	0.2
61.02912	0.6
62.68951	0.2
64.83183	0.2
67.05482	0.3
68.99782	1.8
69.03420	6.7
70.06591	0.3
71.01364	0.3
71.58548	0.3
73.02888	0.3
79.05472	0.4
81.03398	1.1
81.07047	0.5
85.02888	5.9
87.04447	2.6
91.05458	0.4
93.07056	0.3
97.02878	4.7
97.06516	0.5
99.00809	0.3
99.04417	0.6
105.07008	0.6
107.04900	0.3
109.02843	0.7
112.01558	0.3
115.03925	2.1
119.04942	0.3
121.06522	0.4
127.00249	0.6
127.03907	1.0
133.02814	0.5
133.04933	1.6
135.04384	0.4
137.05991	0.5
139.00221	0.7
145.02800	0.5
145.04951	0.8
147.04359	0.4
149.05965	0.4
150.03049	0.4
151.07483	0.8
159.11861	0.2
161.05968	0.7
163.03915	1.8
164.04659	0.8
165.05463	2.1
166.99696	0.5
167.07024	0.7
168.00523	3.8
169.01311	0.7
177.05435	1.0
178.06227	11.8
179.07018	3.4
180.07813	0.7
185.00775	3.9
186.01575	4.4
192.14635	0.3
194.09396	1.8
195.02887	0.3
195.10181	0.4
199.24557	0.3
205.04968	0.3
207.06470	0.5
232.03604	0.5
232.23836	0.3
257.04453	0.6
271.02399	0.5
275.05511	0.5
285.03876	1.0
287.05460	0.6
299.01913	0.5
299.05499	0.4
303.04950	2.0
313.03296	1.0
315.05017	1.1
316.08832	0.4
317.06525	1.0
318.07175	0.3
328.05902	1.5
329.06479	0.6
330.07248	0.5
331.04449	13.9
345.05957	0.5
345.09625	0.5
346.06784	14.9
347.07092	0.4
361.09122	100.0
362.09421	2.3
523.14362	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	655.2753
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
55.01854	0.3
55.05511	0.7
57.03431	0.3
61.00893	0.2
62.71977	0.2
66.04242	0.2
67.05509	1.7
69.07061	0.6
73.54935	0.2
79.05474	1.2
81.03400	0.4
81.07056	1.1
83.04964	0.4
83.08630	0.3
91.05463	1.2
93.07053	0.8
95.04963	0.5
95.08597	0.8
97.06545	0.3
105.07020	0.8
106.06550	0.3
107.04962	0.4
107.08607	0.8
109.06496	0.4
109.10172	0.6
113.05973	0.3
117.07029	0.5
119.08575	0.8
121.10223	0.3
121.17197	0.3
129.07034	0.3
131.08577	0.4
133.10115	0.3
143.08464	0.3
145.10126	0.5
147.11600	0.3
159.07964	0.3
163.07535	0.3
167.07060	0.4
173.13240	0.3
183.09163	0.3
194.92989	0.2
204.06779	0.4
211.08705	0.4
221.10770	0.3
237.10161	0.4
273.18585	0.4
275.20215	0.5
291.19464	0.3
293.17856	0.3
298.13568	0.3
314.13269	0.3
315.04938	0.8
317.05521	0.4
330.07224	0.6
345.09808	0.8
346.10004	0.6
347.10141	0.3
361.09402	0.5
363.15894	0.5
365.17697	0.7
376.16641	0.5
377.17661	1.2
378.18365	1.0
379.19141	1.7
380.19882	0.5
389.18048	0.3
391.14856	1.3
391.20029	1.2
392.15741	0.4
392.19992	0.8
393.16486	0.6
393.20795	4.2
394.21320	0.8
395.22351	0.3
401.17441	0.4
403.19461	0.4
404.15912	0.4
405.16470	2.4
405.21078	1.0
406.17136	1.5
406.21744	0.9
407.18552	4.0
408.19199	0.8
409.20273	0.8
415.19238	0.6
417.16547	0.6
418.17886	0.5
419.18655	4.0
420.19540	3.6
421.15085	0.4
421.20209	6.9
421.25262	0.4
422.21255	1.3
429.17023	0.7
430.17728	0.3
431.18869	0.5
432.19739	0.6
433.20947	2.3
434.20905	1.0
435.17691	5.6
435.23441	0.4
436.18387	0.8
437.19537	0.7
444.19302	0.5
445.20163	0.9
447.17215	1.8
448.18616	1.7
449.19620	5.9
450.20456	2.7
451.21555	0.6
461.19650	2.0
462.20245	1.4
463.16898	6.5
464.17676	0.6
465.18564	0.4
465.23721	0.3
467.20953	0.8
472.18567	0.4
473.19574	1.2
475.21451	1.1
477.18652	1.9
478.19507	1.9
479.20648	1.0
480.21457	0.9
481.22391	1.2
489.19611	0.8
490.20108	0.8
491.20609	2.0
492.20901	0.4
493.22580	1.3
494.23441	0.4
495.20319	0.9
503.20731	0.6
504.21481	0.6
505.22195	0.5
507.24252	6.3
508.21921	1.1
509.21866	1.2
509.26376	0.8
520.24585	0.4
521.21265	2.5
523.23010	0.5
525.21307	0.3
531.23682	0.6
535.23468	4.3
536.23785	1.0
537.24792	0.9
539.22498	0.3
549.25421	2.8
553.22534	0.4
559.23145	1.7
563.22705	0.7
564.23450	0.6
567.26086	6.6
568.26373	0.4
577.24323	4.1
578.24585	0.5
581.24200	0.6
595.25452	11.2
596.26050	1.7
609.26550	0.5
619.26489	0.8
623.24475	1.5
627.28229	2.4
637.28784	0.4
655.27527	100.0
656.27893	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	655.1861
Annotation	6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.11192	0.1
57.03429	0.4
68.60320	0.1
68.99780	1.9
69.03421	1.2
70.77654	0.4
79.05464	0.2
85.02893	1.0
87.04440	0.8
91.05466	0.2
94.90125	0.1
95.17310	0.1
97.02875	0.9
99.00793	0.5
107.04932	0.5
112.01579	0.4
115.03911	1.1
119.04926	0.1
121.06465	0.1
127.00232	0.5
127.03880	0.3
133.02840	0.5
133.04961	1.0
135.04405	0.3
137.05984	0.3
139.00224	0.7
139.03938	0.2
139.07466	0.1
140.01042	0.3
142.02538	0.1
143.45221	0.1
147.04413	0.4
148.05162	0.1
149.05981	0.3
150.03098	0.5
151.07530	0.7
154.51921	0.1
154.99751	0.2
161.05916	0.8
162.06689	0.2
163.03882	1.8
163.07538	0.3
164.04674	0.9
165.05446	2.3
166.99730	0.9
167.06993	0.9
168.00528	4.2
169.01288	0.9
177.05441	0.2
178.06223	12.7
179.03465	0.2
179.07005	2.9
180.07829	1.0
181.08586	0.2
185.00798	4.7
186.01556	4.6
194.02066	0.2
194.09357	1.8
195.02843	0.4
195.10085	0.5
204.04149	0.2
205.04926	0.4
221.04678	0.1
223.45129	0.1
229.05064	0.3
232.03668	0.4
243.03101	0.2
247.02466	0.1
257.04309	0.4
259.05948	0.2
260.03046	0.3
261.04077	0.1
269.04379	0.2
271.02332	0.5
275.05530	0.5
283.05978	0.2
285.03973	1.4
287.05411	0.4
297.03958	0.3
299.01855	0.4
299.05432	0.5
300.06247	0.2
301.03525	0.1
301.07007	0.2
302.07864	0.2
303.04935	2.6
305.10272	0.2
312.06107	0.3
313.03381	1.3
314.04214	0.3
315.05017	1.2
315.08289	0.2
317.06384	0.4
318.07205	0.1
328.05679	1.3
329.06491	0.6
330.07294	0.4
331.04434	16.3
332.04822	0.2
345.01953	0.1
345.05887	0.6
345.09875	0.2
346.06787	16.1
347.07123	0.4
361.09113	100.0
362.09430	2.5
523.14508	2.0
654.95880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01862	3.9
57.03418	6.9
61.02913	2.5
62.82306	1.7
69.03421	21.6
70.92079	5.8
71.04990	3.5
73.02905	6.7
79.05473	4.4
79.27214	1.9
81.03413	21.8
81.07035	2.6
85.02395	3.3
85.02895	45.3
87.00821	17.6
91.05423	1.8
97.02877	24.0
97.06501	3.1
99.04414	9.9
103.05495	2.7
105.01856	11.9
107.04948	8.0
107.08570	2.1
108.04445	2.6
109.02861	17.8
115.03932	1.8
115.05435	9.9
117.07008	9.7
119.04928	2.3
121.06489	1.7
122.03648	4.3
123.04430	2.2
124.05241	2.6
124.26189	1.8
125.06003	2.9
126.05495	3.0
127.03898	37.3
127.71895	1.9
129.01889	2.5
129.06989	4.6
131.04913	3.2
131.08568	5.6
137.05966	82.3
137.07031	4.1
143.04890	8.0
145.02802	2.0
145.04977	16.4
145.06453	22.7
147.04398	2.6
151.07492	3.2
155.06023	2.6
156.05685	4.6
157.06497	5.3
159.02922	14.2
159.08032	4.4
159.78699	1.9
160.05203	11.9
161.05948	6.0
163.07497	2.4
167.05621	2.5
167.07019	37.4
173.05960	40.4
173.07471	2.3
174.06593	2.3
175.07533	100.0
177.05447	6.6
187.07533	31.1
189.09097	8.8
190.06245	16.4
191.06888	3.8
193.08582	3.5
202.06250	2.2
203.07062	7.4
205.08577	95.1
207.06506	2.6
217.08575	41.8
217.31297	2.0
219.10132	4.0
221.99852	1.9
231.05017	6.0
233.09653	4.0
235.09633	58.5
241.08627	4.7
247.09631	9.6
248.07874	3.5
257.12747	2.4
260.09164	2.2
261.09042	5.2
263.07123	2.1
265.10687	42.4
269.08255	2.3
270.05261	2.2
272.42114	2.0
277.08719	3.4
278.09280	2.4
285.07605	7.7
286.07999	2.8
293.11740	5.0
300.09924	14.7
301.10541	2.6
309.11194	6.0
313.10785	2.3
315.04892	4.0
321.11169	7.0
326.11453	3.6
329.06384	2.5
330.06796	5.4
341.13837	9.1
344.08905	3.5
345.09491	11.4
346.10025	8.0
353.13742	20.9
355.15335	3.0
356.39630	2.0
359.11258	8.9
360.11475	18.1
361.08997	6.7
371.14844	47.6
564.14868	2.5
601.58649	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	653.2596
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05492	0.9
59.35392	0.5
67.05482	2.4
69.07033	1.0
70.08943	2.4
70.64997	0.6
78.19018	0.5
79.05473	2.0
81.03403	1.1
81.07042	3.0
83.04981	0.6
83.08591	0.6
91.05470	1.7
93.07026	1.4
93.39952	0.6
95.04957	1.3
95.08591	1.4
100.95979	0.6
105.07005	1.4
107.08608	0.9
117.07018	1.2
119.08557	1.2
121.10071	0.8
123.08054	0.6
129.06989	1.1
131.08554	0.6
133.06541	0.5
133.10094	1.2
133.57607	0.6
137.09833	0.6
204.06624	1.3
212.52975	0.6
219.65796	0.5
225.10446	0.6
249.10312	0.6
326.12787	0.8
328.14359	0.7
330.15991	0.7
345.09799	0.7
363.16095	0.8
389.13736	0.8
391.15280	1.4
392.16284	1.4
393.17120	1.3
403.15103	0.9
403.19766	0.6
405.17163	1.3
406.17984	0.9
407.18808	4.5
408.19299	1.0
416.16034	0.8
417.17105	1.9
418.18182	1.4
419.18930	2.9
420.15320	0.7
421.15692	2.7
421.21246	0.9
422.21234	1.3
431.14929	1.8
432.19870	1.1
433.20868	4.6
434.17270	1.2
435.18033	6.3
436.18900	1.2
444.15912	0.8
445.15906	3.2
446.17194	1.0
447.18442	3.0
448.18793	1.3
449.19604	2.9
450.20856	2.9
451.21399	0.7
452.65292	0.6
453.17105	0.8
459.18066	2.5
460.18890	2.9
461.19849	5.9
462.16183	0.6
463.17303	7.4
464.18518	2.3
473.15363	0.7
473.19858	0.7
474.16464	0.7
475.17612	1.8
477.19653	4.0
478.19913	5.0
479.20718	1.4
488.18573	0.8
489.19205	2.8
491.17188	3.0
492.17609	2.8
493.22220	0.8
505.18015	1.3
507.19836	1.5
519.19879	3.6
521.21265	1.7
522.22620	0.9
535.23450	0.8
537.24762	1.1
547.23419	9.5
548.23657	1.1
549.21289	3.4
550.22040	1.1
551.22388	0.9
565.24176	3.6
575.22858	5.3
578.21753	1.8
579.22833	1.9
593.23859	16.9
594.23981	0.7
603.22327	0.7
607.25446	7.7
609.23413	1.3
621.23035	1.8
625.26740	1.5
635.24835	32.2
636.25067	1.3
638.23645	4.3
653.25897	100.0
654.26086	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	653.2597
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
51.39580	2.3
53.20121	2.3
54.04008	2.5
60.06079	2.4
67.05489	3.9
69.25782	31.6
78.99411	2.7
91.72253	2.8
93.07038	3.1
98.21487	6.7
114.98833	2.9
148.57852	2.7
192.24812	2.6
277.28152	2.7
377.17661	6.0
378.18295	4.8
389.17520	3.9
390.18512	4.3
391.19199	13.0
392.19901	5.6
393.20813	5.0
405.20642	9.2
407.22424	14.5
419.22589	5.4
421.20297	11.2
431.18283	4.2
434.20761	3.2
435.21994	12.8
436.22858	5.9
437.19641	3.3
449.19675	3.6
451.21146	7.5
459.18423	5.0
461.19171	4.7
462.24402	3.4
465.18979	15.4
466.20001	6.0
475.21017	3.9
479.20642	21.1
480.21222	3.6
489.23318	3.4
501.18988	5.8
505.18274	8.3
515.20673	7.8
517.22260	33.3
521.25537	8.2
537.25116	4.1
547.23737	3.8
548.19574	3.1
549.24860	42.1
550.25073	3.5
551.22705	10.7
565.24628	7.1
566.25214	28.5
575.22620	14.1
593.23889	21.0
607.25604	5.1
609.26904	10.1
625.25891	4.4
635.24939	100.0
636.25494	7.1
653.25934	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2959
Annotation	Haplophytine
Peak:m/z	Relative Intensity
62.87957	1.4
70.90997	4.9
93.00882	1.6
164.59470	1.7
244.41344	1.6
254.95743	2.0
273.42523	1.5
281.54730	1.6
368.97662	1.7
391.19156	5.6
405.20715	8.3
405.36163	1.6
406.21548	7.3
419.22336	3.6
420.23026	6.3
421.23761	11.4
450.20813	2.2
452.21857	2.6
465.22794	39.8
466.22992	2.7
473.19766	2.9
477.18604	1.9
477.25958	1.8
479.24362	5.4
480.25089	3.8
487.21268	3.2
488.22336	2.4
491.21173	1.8
492.21695	2.6
503.24368	50.9
503.82700	1.7
504.24713	2.9
507.27301	3.9
535.27039	42.8
551.26709	7.8
579.25916	37.7
580.26654	2.8
594.28229	20.4
595.27759	2.1
621.26855	23.1
653.29590	100.0
654.29834	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	653.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06764	1.5
67.05493	1.9
69.47523	3.4
69.47933	9.0
88.49826	1.3
101.22405	1.3
389.17538	2.0
391.19022	2.4
403.19382	4.6
404.20056	5.4
405.20667	16.1
417.20871	4.0
418.21689	2.8
419.22302	11.2
420.23071	4.9
431.22665	2.5
433.24026	6.9
434.18234	1.6
434.24619	4.6
447.21417	3.8
449.19586	8.8
450.20645	2.9
459.21579	2.2
463.21210	7.5
464.22198	2.6
465.22626	2.2
475.21078	2.0
477.22867	6.2
478.23792	4.2
479.24521	19.6
487.21301	5.3
488.21674	1.7
492.25369	3.3
501.23105	3.1
507.27548	12.6
519.23853	2.1
533.25659	2.8
534.27594	1.6
537.24249	3.2
551.26410	13.3
561.24988	5.8
565.28149	16.9
566.28809	100.0
567.29480	6.8
593.27545	12.4
621.26978	19.4
635.28748	6.0
653.29626	94.4
654.30017	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	653.2068
Annotation	Lethedioside B
Peak:m/z	Relative Intensity
50.37664	0.1
50.77467	0.1
70.18780	0.6
79.05455	0.2
82.82299	0.1
85.02901	0.3
88.93877	0.1
90.42032	0.1
93.07042	0.1
97.02866	0.2
97.06504	0.4
105.07030	0.2
107.04947	0.2
123.00775	0.4
133.02667	0.1
135.04442	0.2
137.02342	0.8
137.05939	1.1
138.03122	0.2
145.02826	0.2
147.04384	0.3
149.05923	0.2
151.00325	0.1
151.03841	0.2
152.01025	0.4
153.01817	1.5
153.05438	0.2
161.06001	0.1
162.03081	0.2
163.03885	1.2
164.04742	0.2
166.02534	0.2
167.03360	1.0
167.07045	1.0
174.03250	0.2
177.05444	0.5
178.06230	4.9
179.06931	0.5
191.03316	0.2
192.04153	0.3
192.07748	0.2
193.04854	0.2
194.09459	0.2
195.04282	0.1
197.06026	0.2
199.03868	0.1
204.04227	0.3
211.07549	0.2
213.05449	0.4
215.06798	0.2
217.05107	0.2
217.08594	0.2
230.05739	1.3
240.04309	0.2
241.04927	0.5
242.05725	0.3
243.03015	0.2
243.06456	0.2
245.04459	0.5
245.08029	0.4
254.02034	0.2
255.06580	0.5
257.08112	0.3
258.05179	1.1
268.03656	0.4
269.04395	6.1
270.05139	0.4
271.05823	0.1
273.07510	1.2
282.01767	0.2
282.05353	0.2
283.02737	0.2
283.06012	1.5
284.06680	0.2
285.04153	0.1
285.07501	0.5
286.04660	1.3
287.05383	0.2
293.04773	0.2
295.05960	0.2
296.03067	0.3
297.03928	1.2
297.07523	0.5
298.04742	1.8
298.08142	0.3
299.01950	0.3
299.05609	0.2
299.08990	0.7
301.03479	0.3
301.06998	6.9
302.07379	0.2
303.04968	0.4
311.05481	1.1
312.06143	0.7
313.06912	1.2
314.04184	5.0
314.07852	0.3
315.04779	0.7
315.08450	0.3
325.06894	0.2
326.07916	1.0
327.08597	0.7
328.09393	0.2
329.06512	32.4
330.06912	1.4
331.11719	0.2
343.08017	0.9
344.08853	20.1
345.09549	1.8
359.11191	100.0
360.11526	2.7
499.94247	0.1
507.14725	0.3
521.16162	0.1
563.15015	0.4
607.13824	0.1
617.12598	0.2
653.14923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.206
Annotation	Nevadensin 7-rutinoside
Peak:m/z	Relative Intensity
50.20893	0.2
62.76924	0.1
69.30210	0.5
69.30619	1.0
69.79924	0.1
71.04988	0.2
85.02897	0.3
121.02866	0.3
123.04431	0.3
139.07465	0.2
153.01778	0.8
161.06027	0.2
163.03903	0.7
167.07022	0.6
177.05431	0.2
178.02612	0.4
178.06238	3.1
179.03397	0.3
191.03362	0.2
209.04395	0.2
213.05467	0.2
216.04152	0.9
217.04916	0.4
228.04222	0.2
231.02902	0.2
231.06471	0.5
241.04985	0.5
243.06467	0.3
244.03615	0.6
255.02847	5.6
256.03641	0.2
259.05945	1.3
269.04449	1.7
270.04932	0.2
271.05939	0.3
271.18869	0.2
272.03033	0.3
281.04526	0.3
282.32355	0.1
283.02313	1.0
283.05963	0.6
284.03192	0.4
284.06503	0.3
285.07413	0.1
287.05472	5.7
287.08658	0.3
289.10812	0.2
297.03955	1.4
299.05505	1.0
300.02588	2.1
300.05856	0.3
301.03537	0.2
301.07022	0.5
302.07755	0.2
311.05188	0.2
312.06213	1.1
313.07043	0.9
314.07706	0.2
315.04953	35.8
316.05298	0.7
317.09991	0.2
329.06543	0.7
330.07291	17.4
331.07846	0.5
345.09634	100.0
346.10001	2.3
359.07455	0.6
359.11142	0.6
507.14636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2067
Annotation	Lethedioside B
Peak:m/z	Relative Intensity
53.95548	0.1
64.27888	0.1
68.99818	0.1
74.13288	0.1
77.64189	0.1
94.67103	0.1
98.12630	0.1
98.21614	0.2
118.44406	0.1
131.71579	0.1
135.04411	0.1
135.83212	0.1
137.05957	0.7
139.03845	0.2
140.04692	0.3
149.05937	0.1
151.03903	0.1
153.05420	0.1
161.02303	0.2
162.06712	0.1
163.03886	0.8
167.03354	1.4
167.07034	0.6
169.01271	0.1
177.01826	0.4
177.05443	0.2
178.06238	3.8
182.40291	0.1
183.23457	0.1
184.03630	0.4
192.04134	0.5
193.04930	0.4
197.04378	0.3
205.04976	0.1
217.05016	0.2
217.08595	0.1
227.06982	0.2
230.05699	1.7
231.06516	0.3
241.04913	0.5
242.05711	0.4
243.06354	0.2
245.04350	0.2
245.08063	0.3
255.06566	0.7
257.08066	0.6
258.05252	1.4
259.06003	0.5
269.04416	6.0
270.05011	0.3
271.06003	0.2
273.07504	2.5
282.01807	0.1
283.05981	1.9
284.06601	0.2
285.07486	0.4
286.04715	1.4
295.06006	0.4
297.03925	1.3
297.07547	0.5
298.04697	0.4
298.08286	0.4
299.05554	0.2
299.08917	0.2
300.06274	0.2
301.07025	8.9
302.07309	0.2
303.12280	0.3
311.05426	1.7
312.06091	0.3
313.07034	1.0
314.04190	4.0
314.07471	0.2
315.04681	0.2
315.08481	0.4
325.07092	0.5
326.07898	1.1
327.08591	1.0
328.09277	0.2
329.06516	48.1
330.06812	1.5
343.08057	1.4
344.08859	19.2
345.09360	1.0
359.11194	100.0
360.11560	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	653.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08897	0.1
62.56290	0.1
67.05548	0.2
69.03461	0.3
69.07103	0.2
69.91653	0.4
77.19055	0.1
79.79626	0.1
81.03448	0.3
81.07074	0.3
91.05514	0.4
93.07069	0.1
95.08656	0.3
97.02890	1.0
97.06514	0.2
98.03260	0.1
98.21394	0.1
105.07051	0.3
107.04987	0.3
107.08621	0.2
109.02924	0.1
111.08125	0.2
117.03439	0.3
119.04941	0.8
119.08614	0.1
123.04479	0.4
127.03931	0.3
135.04524	0.1
137.02371	0.4
139.03981	0.1
139.07605	0.2
143.60294	0.1
145.02873	0.5
147.04379	3.8
148.04836	0.5
153.01799	1.1
159.08038	0.2
161.02412	0.2
163.03902	0.9
167.03448	0.3
167.06999	0.7
168.03773	0.1
169.06563	0.2
170.02156	0.4
175.03983	0.2
177.05421	1.1
178.02560	0.5
178.06227	3.4
178.07748	0.2
179.03394	0.2
183.02875	0.2
191.03433	0.1
203.03342	0.1
204.04286	0.2
205.04933	0.1
207.06516	0.2
213.05544	0.2
216.04150	0.9
217.04997	0.5
227.03410	0.3
228.04221	0.3
229.04849	0.2
231.02953	0.2
231.06461	0.7
241.04973	0.7
243.06606	0.5
244.03688	0.8
255.02849	6.4
256.03293	0.4
257.04379	0.2
259.05969	1.7
261.07605	0.1
262.07910	0.3
269.04398	2.2
270.04971	0.2
271.05911	0.2
272.03094	0.3
281.04501	0.4
283.02344	1.5
283.05966	0.5
284.03171	0.4
284.06769	0.5
285.03894	0.7
285.07132	0.2
286.04556	0.2
287.05457	7.3
288.05865	0.3
289.10699	0.2
297.03848	1.7
298.04657	0.2
299.05432	1.0
300.02618	2.7
300.05887	0.2
301.03439	0.2
301.07040	0.5
311.05341	0.4
312.06192	1.2
313.07092	1.0
314.07697	0.1
315.04950	39.2
316.05301	1.5
317.10440	0.2
329.06534	1.0
330.07281	18.9
331.07639	0.7
345.09622	100.0
346.09958	4.5
507.14371	0.2
677.25134	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
55.01854	5.3
55.05503	30.0
57.03424	7.7
57.07059	5.2
60.04503	9.1
61.81590	2.0
65.03933	6.2
67.05495	100.0
69.03418	32.3
69.07060	15.2
71.04984	7.6
71.58251	2.0
79.05484	32.8
81.03408	56.9
81.07047	68.8
83.04970	33.0
83.08598	20.5
85.02902	5.3
85.06527	4.4
87.90613	2.0
91.05469	29.5
93.07034	37.1
95.04953	11.0
95.08596	44.8
97.02879	19.2
97.06470	5.6
97.10174	20.3
99.04446	5.0
103.03893	3.3
105.07021	28.8
107.04988	3.1
107.08585	22.7
109.02863	10.6
109.06474	4.5
109.09413	4.4
109.10139	49.3
111.04417	9.0
111.08079	3.1
117.06997	10.9
119.08567	19.3
121.06425	3.7
121.10110	15.9
123.08016	3.9
123.11703	7.9
125.09624	13.6
127.03899	7.1
129.05490	12.3
129.06970	6.3
131.08560	13.7
133.10117	16.7
135.08040	6.5
135.11671	9.9
137.09555	6.4
141.07027	2.8
142.07761	3.2
143.08517	6.9
145.06438	2.5
145.10085	11.6
147.08031	2.9
147.11693	8.3
149.09624	5.2
149.13264	4.2
153.09030	2.3
155.08545	4.1
155.10626	2.9
157.10091	6.3
159.11670	9.3
161.09610	2.6
161.13272	6.2
163.03914	3.5
163.11107	2.4
163.14774	3.6
169.10077	5.7
171.11737	5.7
173.09544	2.7
173.11736	13.3
173.13155	4.2
175.14757	2.5
178.06247	11.8
183.11633	2.7
185.13266	5.1
189.01767	2.6
189.05426	3.0
189.11174	13.0
199.14827	2.5
227.12700	18.4
229.14282	20.8
245.13824	4.9
261.22137	4.1
263.23734	5.3
301.21432	2.6
315.04935	7.5
327.04974	5.3
330.07452	2.9
335.25974	11.0
337.27289	14.8
345.09586	15.8
357.09592	13.7
359.07538	4.9
369.24295	5.2
371.16949	8.3
373.18500	5.8
379.87683	2.3
387.24954	2.9
461.28961	3.0
479.29938	3.3
489.35565	5.5
507.36749	6.9
521.21472	6.1
553.24750	5.5
597.37561	4.8
615.39099	4.6
619.28961	4.3
633.30786	3.0
633.39929	16.8
651.31122	42.5
651.40466	24.7
652.31866	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	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74444	2.7
53.03934	6.8
55.01867	4.7
55.05505	27.3
57.03428	9.3
57.07075	12.7
64.71607	2.3
65.03903	2.3
67.05497	100.0
69.03144	2.3
69.03428	22.6
69.07063	15.9
71.04987	8.9
71.08614	10.3
71.64051	4.3
73.44503	2.7
79.05489	28.6
81.03401	52.9
81.07046	61.0
82.54712	2.4
83.04972	19.7
83.08638	12.8
85.02906	6.5
85.10190	4.7
91.05460	26.5
93.07033	31.0
95.04951	8.3
95.08601	39.3
97.02867	13.3
97.06529	5.3
97.10152	11.9
99.04409	7.2
105.07021	22.7
107.04942	4.4
107.08586	22.2
109.02875	9.0
109.06528	5.3
109.10140	51.3
111.04459	8.9
117.07002	13.6
119.08584	17.2
121.06501	2.8
121.10098	14.7
123.11679	7.8
125.09642	8.0
127.03925	8.1
129.05490	6.4
129.06984	6.6
131.08554	11.6
133.10138	11.4
135.07997	4.9
135.11678	10.1
141.06927	3.3
143.08528	6.4
145.10114	9.8
146.84981	2.8
147.11700	7.0
155.08524	3.4
157.10077	6.8
159.11687	8.8
161.13266	5.0
163.11101	2.6
163.14859	3.3
169.10068	3.9
171.11649	5.2
173.11740	16.4
173.13176	5.2
177.12752	3.2
181.10068	3.1
183.11638	3.2
185.13246	5.4
187.11154	2.9
189.11220	8.9
195.13803	3.8
227.12808	11.3
229.14296	25.7
261.22131	4.2
299.14948	3.4
301.21649	5.0
335.25577	3.8
337.27264	9.0
345.09665	2.7
348.97894	2.5
351.22992	4.2
369.24258	9.7
371.16882	4.4
373.18756	4.3
375.25320	3.0
387.25305	4.3
395.20416	3.7
405.26205	2.8
441.09787	2.8
450.70767	2.7
489.35358	4.6
539.73645	2.7
615.38794	4.0
633.39893	13.2
651.44476	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	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01889	2.3
53.03935	7.7
55.01858	5.1
55.05502	30.5
55.28688	2.3
57.03428	9.6
57.07060	8.7
65.03925	6.7
66.62938	2.4
67.05496	100.0
69.03423	22.6
69.07063	18.2
69.11206	2.3
71.04976	10.6
71.08614	4.6
71.64142	2.8
78.95482	1.8
79.05482	34.9
81.03407	53.2
81.07044	68.4
83.04969	28.8
83.08609	17.2
85.02902	6.7
85.06528	5.6
85.10180	2.2
87.04444	4.0
91.05467	26.9
93.07033	34.9
95.04950	12.1
95.08592	45.1
97.02876	15.3
97.06549	2.6
97.10162	15.1
99.04445	7.3
105.07003	23.6
107.04922	3.2
107.08584	21.8
108.54916	2.0
109.02872	9.4
109.06506	5.4
109.10147	48.6
111.04444	11.4
111.08076	5.9
117.06986	16.2
119.08556	26.9
121.06528	2.5
121.10110	15.8
123.08093	3.0
123.11672	4.7
125.09625	11.9
127.03857	11.9
128.06235	2.4
129.05469	11.7
129.06993	7.5
131.08551	14.2
133.10132	12.8
135.07990	5.6
135.11667	10.0
137.09567	5.9
137.13274	2.6
141.07013	3.2
143.08553	6.3
145.10132	14.0
147.07957	2.5
147.11687	6.1
149.13243	6.2
155.08536	3.2
157.10107	5.6
159.08018	2.4
159.10545	2.6
159.11610	11.2
161.09673	3.2
161.13240	5.1
167.08566	2.6
169.10083	2.2
171.10139	2.8
171.11658	3.1
173.11710	14.0
173.13272	7.0
175.11115	3.2
177.12711	3.6
181.10126	2.9
183.11661	5.0
185.09804	2.7
185.13254	3.3
189.11241	15.1
227.12617	14.2
229.14294	19.5
245.13823	3.0
261.22083	7.8
289.21622	2.4
301.21613	3.4
335.25845	7.8
337.27261	12.4
339.17996	2.5
351.23181	4.9
359.25653	2.8
369.24149	10.2
371.16953	10.2
373.18576	5.6
379.15927	2.4
387.25299	3.5
392.72891	2.4
392.89966	2.7
405.26483	2.6
443.27554	3.2
461.28821	2.8
478.06253	2.4
489.35934	5.1
507.36673	5.4
536.80194	2.3
603.39398	2.2
615.38788	2.8
633.39569	15.1
651.42078	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	650.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84460	1.1
51.87143	1.1
53.03928	2.3
54.54140	1.1
55.01867	8.0
55.05500	1.2
57.03439	1.6
57.07063	6.0
64.82462	1.2
67.05486	5.0
69.03418	8.9
69.07063	8.7
70.02926	4.2
70.05515	4.7
70.05923	2.3
70.06576	2.5
71.04978	2.9
72.04503	22.6
73.02908	10.2
73.80275	1.2
81.03420	14.1
82.06570	1.2
83.04953	7.9
84.08123	2.9
85.02884	8.2
85.06510	6.8
85.41029	1.2
86.09682	5.3
87.08086	3.1
89.65010	1.1
90.05000	2.2
90.05537	32.1
95.04955	7.6
96.08113	2.6
97.02879	11.0
98.02393	17.9
99.04428	4.1
100.03976	8.6
103.03918	2.4
103.07544	3.8
109.02863	28.2
111.54503	1.1
112.07591	1.5
113.06007	6.2
115.03863	2.2
116.03438	22.0
117.03324	1.4
124.07568	23.6
127.03890	12.7
130.08679	1.8
131.06987	1.8
132.06534	10.8
137.02309	1.6
137.05933	1.3
138.05446	3.7
142.08617	19.6
145.02826	1.5
145.04947	6.8
152.39645	1.3
156.10144	1.8
160.09660	4.9
166.08604	5.2
167.07036	1.4
172.09637	5.7
174.11214	5.3
177.05414	2.6
181.04938	2.5
184.09666	37.5
198.07527	5.0
199.05992	3.2
202.10712	100.0
203.11287	3.5
211.09607	10.9
216.08644	6.6
217.07045	3.4
220.11769	20.6
226.10675	1.3
230.10248	15.5
234.09700	11.4
244.11763	2.6
262.12854	24.1
310.12848	14.1
328.13852	98.8
346.14911	20.2
364.15964	44.6
500.17068	1.9
518.18549	4.6
533.31781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
55.01854	5.3
55.05503	30.0
57.03424	7.7
57.07059	5.2
60.04503	9.1
61.81590	2.0
65.03933	6.2
67.05495	100.0
69.03418	32.3
69.07060	15.2
71.04984	7.6
71.58251	2.0
79.05484	32.8
81.03408	56.9
81.07047	68.8
83.04970	33.0
83.08598	20.5
85.02902	5.3
85.06527	4.4
87.90613	2.0
91.05469	29.5
93.07034	37.1
95.04953	11.0
95.08596	44.8
97.02879	19.2
97.06470	5.6
97.10174	20.3
99.04446	5.0
103.03893	3.3
105.07021	28.8
107.04988	3.1
107.08585	22.7
109.02863	10.6
109.06474	4.5
109.09413	4.4
109.10139	49.3
111.04417	9.0
111.08079	3.1
117.06997	10.9
119.08567	19.3
121.06425	3.7
121.10110	15.9
123.08016	3.9
123.11703	7.9
125.09624	13.6
127.03899	7.1
129.05490	12.3
129.06970	6.3
131.08560	13.7
133.10117	16.7
135.08040	6.5
135.11671	9.9
137.09555	6.4
141.07027	2.8
142.07761	3.2
143.08517	6.9
145.06438	2.5
145.10085	11.6
147.08031	2.9
147.11693	8.3
149.09624	5.2
149.13264	4.2
153.09030	2.3
155.08545	4.1
155.10626	2.9
157.10091	6.3
159.11670	9.3
161.09610	2.6
161.13272	6.2
163.03914	3.5
163.11107	2.4
163.14774	3.6
169.10077	5.7
171.11737	5.7
173.09544	2.7
173.11736	13.3
173.13155	4.2
175.14757	2.5
178.06247	11.8
183.11633	2.7
185.13266	5.1
189.01767	2.6
189.05426	3.0
189.11174	13.0
199.14827	2.5
227.12700	18.4
229.14282	20.8
245.13824	4.9
261.22137	4.1
263.23734	5.3
301.21432	2.6
315.04935	7.5
327.04974	5.3
330.07452	2.9
335.25974	11.0
337.27289	14.8
345.09586	15.8
357.09592	13.7
359.07538	4.9
369.24295	5.2
371.16949	8.3
373.18500	5.8
379.87683	2.3
387.24954	2.9
461.28961	3.0
479.29938	3.3
489.35565	5.5
507.36749	6.9
521.21472	6.1
553.24750	5.5
597.37561	4.8
615.39099	4.6
619.28961	4.3
633.30786	3.0
633.39929	16.8
651.31122	42.5
651.40466	24.7
652.31866	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	649.3929
Annotation	Rubuside H
Peak:m/z	Relative Intensity
51.17699	2.4
53.03935	10.3
55.01846	6.0
55.05502	37.9
57.03427	9.5
59.04985	4.6
61.02906	10.8
65.03927	4.8
67.05495	100.0
69.03422	22.5
69.06183	2.6
69.07058	17.3
70.36008	10.1
71.04974	10.5
73.02895	4.3
79.05482	36.7
80.42132	2.1
81.03413	36.9
81.07042	50.4
83.04972	9.2
83.08607	14.2
85.02892	15.2
85.06526	4.6
91.03909	5.7
91.04922	3.8
91.05467	46.5
93.07033	44.2
95.04940	14.9
95.08595	30.4
97.02880	17.6
97.06534	6.1
97.10144	15.1
98.21407	3.0
99.04443	4.4
99.08096	2.9
105.07008	45.4
105.28224	2.4
107.04920	6.2
107.08576	29.3
109.02837	7.0
109.06484	8.6
109.10133	51.2
111.04451	5.5
111.08080	4.6
115.05453	4.8
117.06991	16.7
119.04879	2.7
119.08562	43.1
121.06470	4.7
121.10152	22.5
123.08065	10.4
123.11703	6.1
125.09635	13.3
127.03901	10.1
128.06212	4.7
129.07005	19.2
131.08553	37.2
131.50896	2.8
133.06502	2.5
133.10124	26.1
135.08003	6.5
135.11674	11.9
137.09595	5.4
139.11162	3.5
141.06934	7.2
142.07761	3.6
143.08514	17.1
145.06406	5.1
145.10120	27.3
147.08086	3.2
147.11650	12.3
149.09608	8.6
149.13190	4.0
151.07518	9.9
153.07095	2.5
155.08542	9.7
155.10573	4.3
156.09355	3.2
157.10136	17.4
159.08057	6.9
159.11670	22.8
161.09607	5.1
161.13229	9.8
163.11182	6.2
163.14642	3.1
167.08536	5.2
167.10701	2.8
168.09311	3.5
169.10036	14.1
171.07959	3.3
171.11670	16.1
173.09628	5.2
173.11714	14.5
173.13220	11.4
175.11176	5.1
175.14787	4.5
181.10170	8.0
183.11607	11.6
185.09596	4.7
185.13257	11.9
187.11057	2.7
189.11201	9.7
189.12741	5.0
191.14275	3.1
195.11639	6.3
197.13231	9.1
199.14807	8.2
207.11586	3.4
207.13890	3.7
209.09631	3.3
209.13263	6.9
211.11156	2.6
211.14894	5.7
213.16406	4.6
221.13234	4.5
221.15329	6.5
223.14745	2.8
227.12723	8.7
229.14217	17.9
239.17862	3.0
241.19513	7.2
245.13774	7.4
257.18796	2.5
259.20529	9.8
261.22086	4.5
271.20526	4.7
283.20505	6.2
299.20309	2.3
301.21594	5.0
325.21600	3.7
333.24304	6.9
349.21600	4.1
367.22635	4.3
369.24216	3.5
371.17206	3.3
373.18353	5.8
375.24942	3.1
385.23792	5.1
395.29510	5.2
413.30743	3.1
469.32935	4.7
487.34134	88.4
488.34384	3.8
505.34879	3.8
529.35602	3.2
571.36066	3.1
595.36273	13.0
603.24548	3.2
613.37469	12.2
631.38232	23.1
649.39801	40.8
650.39502	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	649.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.9
53.03925	9.7
55.01858	6.6
55.05504	40.4
57.03424	13.0
57.07071	5.0
59.04984	3.6
61.02921	13.3
65.03922	6.3
67.05496	100.0
69.03419	28.7
69.07047	17.7
71.01334	3.6
71.04999	10.6
71.65990	3.6
73.02888	6.3
77.62187	2.3
79.05483	50.4
80.05822	2.2
81.03407	55.3
81.07050	70.9
81.07539	3.5
83.04962	13.5
83.08609	24.4
85.02883	14.3
85.06541	5.8
91.03941	4.1
91.05467	56.6
91.56971	2.2
93.07034	51.3
95.04961	18.1
95.08592	38.2
97.02879	29.1
97.06507	6.1
97.10155	23.1
99.04440	7.2
99.08052	2.6
103.03946	3.4
103.05465	2.9
105.07011	48.7
107.04901	4.4
107.07910	3.6
107.08584	38.5
109.02849	9.5
109.06499	8.3
109.10134	54.6
111.04424	7.6
111.08052	7.8
115.03964	2.9
115.05431	3.9
117.07003	31.2
119.08556	37.9
119.82019	2.1
121.06505	5.8
121.10105	20.5
123.08074	3.6
123.11660	4.9
125.05952	2.7
125.09612	18.6
127.03903	13.3
128.06178	6.7
129.05449	5.9
129.07007	21.6
130.07758	2.1
131.08553	41.0
133.06468	4.7
133.10115	26.2
135.08032	9.1
135.11658	18.3
137.05991	3.8
137.09624	5.6
139.11069	2.1
141.06960	8.6
142.07779	6.0
143.08533	20.5
145.06451	4.0
145.10109	37.5
147.08009	5.7
147.11684	21.4
149.09554	4.3
149.13248	4.6
151.07489	4.1
153.06870	4.1
153.09116	3.5
155.08516	10.8
156.09215	2.6
157.10115	20.7
159.08040	2.7
159.11664	26.4
161.09605	4.6
161.13240	12.6
163.11203	4.1
163.14825	4.0
165.09010	2.8
166.07639	2.1
167.08440	6.2
169.10085	12.8
171.08038	5.9
171.11647	21.6
173.09607	4.8
173.11703	17.0
173.13239	18.1
175.11140	3.3
175.14758	7.5
179.08540	3.4
180.09340	3.0
181.10091	8.6
181.12169	3.0
183.08034	2.4
183.11688	14.8
185.09624	3.1
185.13235	15.4
187.11200	4.4
187.14775	6.0
189.11224	19.3
189.12718	4.5
191.97493	2.3
193.10103	3.1
195.11687	8.4
197.13219	9.7
199.11151	4.1
199.14865	4.9
201.12729	2.4
207.11650	4.3
207.13603	3.7
209.13153	4.0
211.14833	5.9
213.16370	2.7
221.13321	4.2
221.15404	5.6
223.14786	2.7
225.12697	3.4
225.16411	2.4
227.12628	14.2
229.14250	15.6
235.14813	3.3
237.16443	2.3
241.19518	5.8
243.20981	3.3
245.13826	10.7
251.72290	2.2
253.19496	4.3
255.17444	2.3
257.18954	4.4
259.20496	14.9
261.22107	8.5
271.20557	8.9
275.19986	4.1
283.20532	3.4
285.22205	3.8
287.20056	3.7
289.21530	3.5
297.22073	3.5
299.14822	3.6
301.21497	6.5
315.23190	3.1
317.20959	2.5
325.21664	4.0
327.23013	3.1
333.24445	11.3
335.25854	6.5
339.23120	3.0
343.22754	3.4
349.21463	6.1
351.23050	6.1
367.22531	9.0
369.24231	9.4
371.16901	4.2
373.18304	7.2
375.25085	3.3
377.27948	2.6
385.23468	4.9
395.29080	4.2
403.24777	5.4
413.30246	2.6
441.26367	3.6
459.27484	3.2
469.33215	3.6
487.34088	89.9
488.34384	8.7
499.33957	3.4
505.35083	3.0
529.34711	2.4
571.35754	3.0
583.36285	4.0
595.36249	13.0
613.37134	15.1
631.38123	25.8
632.38287	2.5
649.39313	40.7
650.39349	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	649.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	1.9
51.11226	1.8
53.03943	13.0
55.01855	6.9
55.05276	2.1
55.05508	27.1
57.03432	12.8
65.03920	6.1
67.05497	75.8
69.03416	21.9
69.07061	15.2
70.06576	2.1
71.04966	6.8
73.06525	2.8
74.81715	1.7
79.05483	100.0
81.03409	37.6
81.07047	64.0
82.07348	2.5
83.04969	23.2
83.08593	10.6
85.02901	15.9
85.06529	7.3
91.05467	93.9
93.07034	86.8
95.04396	3.4
95.04955	40.5
95.08594	36.7
97.02892	11.1
97.06531	8.7
97.10136	4.2
98.94723	1.8
99.04459	4.3
102.09186	2.2
102.88338	2.0
102.98289	1.7
103.05436	1.9
105.07023	62.5
107.04941	14.6
107.08577	29.9
109.02836	8.3
109.06498	13.7
109.10117	10.1
111.04433	4.1
111.08042	2.5
115.05442	6.5
117.07006	27.3
119.04969	2.9
119.08565	39.2
121.06483	9.3
121.10128	11.2
123.04362	2.3
123.08042	11.7
125.05985	1.9
125.09659	3.5
127.03880	6.6
127.07499	1.9
128.06209	11.7
129.05478	2.7
129.06981	33.8
130.07655	2.0
131.04947	4.3
131.08557	18.5
133.06480	9.1
133.10115	17.5
135.04462	1.8
135.08003	6.2
135.11678	8.4
137.05966	2.1
137.09579	4.7
141.06995	7.6
142.07741	2.6
143.08545	23.8
144.91190	1.9
145.06444	7.3
145.10103	19.0
147.04390	2.2
147.07999	8.0
147.11668	39.9
149.09601	4.5
149.13257	2.3
151.07507	4.6
153.06886	2.6
155.08527	7.9
157.06448	6.0
157.10094	9.2
159.08063	7.5
159.10074	1.9
159.11676	7.4
161.05949	3.1
161.09583	8.0
161.13257	17.4
163.11127	4.4
165.09052	2.2
167.08530	4.8
167.10593	2.4
169.10051	7.3
171.08005	6.5
171.11679	38.3
173.04440	7.6
173.09636	4.3
173.13214	5.2
177.12750	3.5
179.14229	3.8
181.10110	5.4
181.12234	2.6
183.11636	2.5
185.09618	5.2
185.13194	4.9
187.11150	4.1
187.14915	2.0
189.12720	18.2
195.11743	2.9
199.14743	2.5
201.12593	3.9
203.14299	3.2
207.11816	3.5
207.13762	38.9
209.13200	4.5
213.12863	2.5
213.16380	2.5
221.15424	4.0
223.14815	2.3
225.12657	1.9
225.14845	5.9
227.14337	5.3
229.12117	2.4
231.13652	3.0
241.15889	8.0
251.14316	5.1
257.15207	3.1
259.16861	4.1
266.90945	2.1
269.15219	12.6
279.15970	4.0
281.17453	59.8
287.16409	17.6
309.16946	4.1
315.15970	3.4
333.16885	2.8
343.19058	3.4
351.18307	2.3
361.20206	4.3
407.20453	2.6
425.21744	7.5
469.29312	2.6
487.30417	44.3
501.31970	5.1
529.31628	2.9
543.32922	2.2
567.32806	6.2
595.31934	2.1
631.34509	8.5
649.39008	11.2
649.51324	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	649.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
53.49129	2.6
55.01880	4.3
55.05501	29.0
57.03437	11.4
57.07082	3.5
59.05017	4.0
61.02928	11.8
67.05493	92.5
69.03412	29.8
69.07043	19.0
70.06591	6.8
70.09505	3.1
70.67317	6.4
70.67655	4.4
71.04997	6.7
73.02910	6.0
79.05481	42.1
81.03403	38.4
81.07043	62.1
81.07490	5.1
83.04972	15.8
83.08599	20.6
85.02884	15.5
85.06535	7.1
91.03964	6.8
91.05472	47.8
93.07030	53.5
95.04958	13.8
95.08582	35.4
97.02890	18.8
97.06526	7.7
97.10159	18.5
99.04474	7.0
105.07024	37.6
107.04944	7.2
107.08580	30.3
109.02867	7.9
109.06516	7.9
109.10136	51.5
111.04481	7.8
111.08090	5.5
115.05505	2.8
116.06282	3.7
117.06998	27.5
119.08559	42.5
121.06525	3.9
121.10119	19.3
123.08070	8.9
123.11712	6.1
125.09573	15.3
127.03866	13.3
127.89262	2.9
128.06252	4.8
129.05531	5.6
129.06970	20.2
130.07843	4.3
131.08545	34.4
133.06454	5.3
133.10123	25.9
135.08055	5.5
135.11703	12.8
137.06015	5.3
137.09662	9.4
141.06966	5.1
142.07745	5.6
143.08546	26.6
143.80547	2.6
145.10107	37.7
147.08051	5.4
147.11671	15.5
149.09663	5.7
149.13268	6.7
151.07571	9.2
153.06944	3.7
155.08568	11.0
155.10544	4.1
157.10115	24.3
159.08037	4.7
159.11667	25.3
161.09650	7.8
161.13301	10.8
163.11227	5.0
167.08604	6.7
167.60330	2.9
169.10103	17.1
171.08012	5.5
171.11650	19.2
173.09612	6.2
173.11786	15.8
173.13315	11.6
175.11192	5.9
175.14865	6.5
181.10155	6.0
183.11682	16.0
185.09650	5.4
185.13277	8.6
187.11267	3.0
187.14839	7.0
189.11258	11.0
195.11606	6.5
197.09511	3.0
197.13289	10.6
199.14844	6.9
207.13736	4.1
209.13266	7.3
211.11255	3.4
211.14810	6.6
213.12773	4.6
213.16350	4.1
221.13354	5.9
221.15273	5.3
223.14865	6.3
227.12801	10.6
229.14204	21.4
241.19485	5.2
245.13789	6.7
253.19522	4.1
257.19031	6.1
259.20566	13.2
261.22208	6.8
267.17355	3.3
271.20575	3.4
273.22101	3.0
297.22247	4.2
301.21674	6.8
313.27441	3.5
325.21869	4.3
333.24701	5.3
335.25812	4.5
345.09476	3.8
351.23236	5.4
367.22714	8.1
373.18533	6.9
375.25229	3.3
385.23434	4.1
395.29413	7.6
403.25165	3.5
441.26434	4.0
485.31970	4.7
487.34149	100.0
488.34344	4.4
499.34177	3.4
503.33014	3.3
595.36249	13.8
613.37372	9.9
631.38324	21.4
649.26544	8.0
649.38928	63.7
650.38831	7.1
655.81781	3.1
657.08124	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	649.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03954	0.9
54.07300	0.1
55.01861	0.3
55.05497	0.2
57.03433	0.2
58.53799	0.1
65.03873	0.1
66.57304	0.2
67.05488	0.5
67.29472	0.2
68.99747	0.2
69.03414	0.4
69.07039	0.3
70.06595	0.2
71.06321	0.2
71.08613	0.2
77.03915	0.3
78.04704	0.3
79.05486	10.5
81.03407	0.7
81.07042	1.3
83.05018	0.3
85.02899	0.3
91.05454	1.3
93.07029	0.7
94.04182	0.3
95.04961	1.5
95.08598	0.5
96.05731	0.2
97.02872	0.5
97.06512	0.7
103.05488	0.2
105.04487	0.4
105.07015	0.7
106.04121	0.2
107.04943	41.4
107.08583	0.4
108.05263	0.6
109.02856	0.4
109.06493	0.8
109.10104	0.2
111.04382	0.2
111.08102	0.3
119.04904	0.8
119.08573	0.5
121.06493	0.9
121.10139	0.3
122.03631	0.6
123.04430	0.5
124.05195	6.0
125.05132	0.3
125.05984	4.4
127.03850	0.2
129.07074	0.2
131.08575	0.2
133.10103	0.3
134.03568	0.2
135.11699	0.2
136.06161	0.2
137.02379	0.4
137.05930	1.2
139.07501	0.8
141.01767	0.4
143.08606	0.2
145.10059	0.4
147.04398	1.1
148.07571	0.4
149.05992	1.3
151.03903	0.5
151.07535	0.4
152.04678	2.7
153.07097	0.2
159.08025	0.2
159.11646	0.3
163.03903	0.7
165.01807	4.4
165.05562	0.2
167.07021	100.0
168.07378	1.3
169.10123	0.2
173.13278	0.2
177.05418	0.6
178.06223	0.2
179.07019	2.4
181.08525	0.3
183.02887	3.7
183.04465	0.3
189.12772	0.3
191.03387	1.0
193.04919	0.9
207.06483	0.7
207.10036	0.2
214.18036	0.3
231.06564	0.2
269.08090	0.2
273.07492	0.2
285.07596	0.3
315.05051	0.4
316.05313	0.5
317.05130	0.2
317.10196	0.6
327.08517	0.7
330.07281	0.3
345.09653	69.7
346.09967	2.8
347.10233	0.5
401.15915	15.9
402.16071	0.7
552.11768	0.2
552.51758	0.2
568.93732	0.2
631.16498	0.5
649.18671	2.4
649.40161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03954	0.9
54.07300	0.1
55.01861	0.3
55.05497	0.2
57.03433	0.2
58.53799	0.1
65.03873	0.1
66.57304	0.2
67.05488	0.5
67.29472	0.2
68.99747	0.2
69.03414	0.4
69.07039	0.3
70.06595	0.2
71.06321	0.2
71.08613	0.2
77.03915	0.3
78.04704	0.3
79.05486	10.5
81.03407	0.7
81.07042	1.3
83.05018	0.3
85.02899	0.3
91.05454	1.3
93.07029	0.7
94.04182	0.3
95.04961	1.5
95.08598	0.5
96.05731	0.2
97.02872	0.5
97.06512	0.7
103.05488	0.2
105.04487	0.4
105.07015	0.7
106.04121	0.2
107.04943	41.4
107.08583	0.4
108.05263	0.6
109.02856	0.4
109.06493	0.8
109.10104	0.2
111.04382	0.2
111.08102	0.3
119.04904	0.8
119.08573	0.5
121.06493	0.9
121.10139	0.3
122.03631	0.6
123.04430	0.5
124.05195	6.0
125.05132	0.3
125.05984	4.4
127.03850	0.2
129.07074	0.2
131.08575	0.2
133.10103	0.3
134.03568	0.2
135.11699	0.2
136.06161	0.2
137.02379	0.4
137.05930	1.2
139.07501	0.8
141.01767	0.4
143.08606	0.2
145.10059	0.4
147.04398	1.1
148.07571	0.4
149.05992	1.3
151.03903	0.5
151.07535	0.4
152.04678	2.7
153.07097	0.2
159.08025	0.2
159.11646	0.3
163.03903	0.7
165.01807	4.4
165.05562	0.2
167.07021	100.0
168.07378	1.3
169.10123	0.2
173.13278	0.2
177.05418	0.6
178.06223	0.2
179.07019	2.4
181.08525	0.3
183.02887	3.7
183.04465	0.3
189.12772	0.3
191.03387	1.0
193.04919	0.9
207.06483	0.7
207.10036	0.2
214.18036	0.3
231.06564	0.2
269.08090	0.2
273.07492	0.2
285.07596	0.3
315.05051	0.4
316.05313	0.5
317.05130	0.2
317.10196	0.6
327.08517	0.7
330.07281	0.3
345.09653	69.7
346.09967	2.8
347.10233	0.5
401.15915	15.9
402.16071	0.7
552.11768	0.2
552.51758	0.2
568.93732	0.2
631.16498	0.5
649.18671	2.4
649.40161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	0.4
62.01583	0.4
63.02364	0.7
65.03932	4.8
67.05496	2.5
67.33762	0.3
69.03414	0.9
71.17941	0.9
78.04716	0.4
78.48660	0.3
79.05477	0.7
81.03400	0.3
81.07061	0.3
83.04966	0.4
85.02869	0.5
88.56833	0.4
89.03894	6.8
91.05464	1.2
93.03387	5.7
93.07037	0.5
95.04971	0.5
97.02876	65.0
97.06509	0.4
98.03191	0.9
103.05432	0.5
105.06998	0.7
106.04144	0.5
110.03650	0.9
111.04417	1.1
115.05461	0.5
117.03358	20.7
118.03642	0.5
119.04897	0.7
121.02844	2.4
123.04402	1.0
124.05204	1.2
125.02352	0.7
125.05991	1.5
128.06197	1.5
129.06993	5.0
131.04872	0.5
131.08527	0.6
134.03622	1.5
135.04436	1.4
137.05959	0.9
139.03856	0.7
139.05420	1.0
141.06956	2.0
143.08540	0.4
145.02823	51.8
146.03137	1.6
147.04393	1.2
149.02318	6.4
149.05942	7.1
151.03886	2.4
156.05681	0.6
157.06465	6.0
158.05981	0.4
161.05937	0.6
161.09622	0.4
163.03883	0.8
167.03387	29.3
167.04816	2.4
167.07043	1.4
168.03708	0.4
169.06470	2.3
173.05933	0.6
173.55614	0.4
174.06752	0.7
175.07469	0.7
177.05438	100.0
178.05785	2.7
179.06967	0.5
183.04457	0.3
184.05156	0.3
185.05952	1.8
186.05391	1.8
187.07491	1.0
188.08249	1.6
189.05455	1.7
189.09062	8.2
190.95512	0.4
195.04298	0.8
197.05969	0.6
199.07516	5.6
200.04553	0.4
201.09064	0.8
203.07045	0.3
207.06558	1.8
212.04546	0.3
213.05405	1.3
215.07008	1.3
215.08833	0.3
217.08571	6.7
227.06985	5.6
241.76854	0.3
245.08061	14.2
246.08417	0.6
255.06340	1.0
273.07474	2.7
291.08578	20.4
292.08957	0.6
309.09644	1.2
315.04892	0.4
345.09644	1.0
383.16034	0.4
399.14471	0.4
469.96652	0.3
529.88696	0.3
550.10516	0.5
647.17773	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	648.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	9.6
57.03422	1.9
57.07069	5.6
59.04983	2.3
60.55236	1.0
67.05490	5.3
69.03421	11.9
69.07060	9.2
70.02946	4.5
70.88883	3.3
71.04978	1.8
71.45779	1.2
72.04509	22.3
73.02907	12.9
74.02422	1.3
81.03406	17.3
83.04976	7.7
84.04493	1.8
85.02906	8.9
85.06528	9.4
86.09686	4.4
87.04454	1.7
87.08102	4.6
90.05543	40.8
93.39259	1.1
95.04952	9.8
96.08125	2.0
97.02876	12.4
98.02401	19.7
98.29428	1.1
99.04462	6.7
99.08121	1.3
100.03964	7.6
103.07568	3.5
109.02861	29.4
110.06053	1.3
112.07600	1.8
113.05994	6.3
115.03900	1.8
116.03446	26.5
116.07054	1.3
117.06576	1.4
124.07586	24.2
127.03912	14.5
127.04800	1.9
130.08609	1.7
131.07019	2.5
132.06546	9.5
132.10185	1.8
138.05487	3.6
139.03809	1.1
142.08626	21.7
145.04968	6.8
156.10211	1.5
158.04568	1.2
160.09673	6.1
166.08672	6.0
169.04979	1.2
170.08093	1.2
172.09612	5.7
174.11223	7.5
181.04869	1.7
184.09669	39.0
187.05966	1.8
189.76152	1.2
193.08563	1.3
198.07613	4.2
199.05989	5.1
202.10719	100.0
203.11389	2.1
210.11731	1.0
211.09634	8.6
216.08629	3.4
217.07048	3.2
219.93425	0.9
220.11784	22.9
226.10825	2.0
230.10225	9.8
234.09642	9.7
244.11754	2.8
252.28352	1.1
262.12827	18.9
310.12857	8.1
328.13870	90.6
329.14191	2.2
333.11722	2.4
346.14935	24.1
347.15463	1.3
364.15976	90.3
365.16187	2.6
386.16510	2.8
471.17194	1.4
480.20670	2.3
498.22003	7.6
513.52948	1.0
516.22693	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	649.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92274	0.5
53.45891	0.5
54.77798	0.4
55.01859	1.3
57.03432	7.3
59.04977	1.0
68.35706	0.4
69.03419	40.7
71.01340	0.5
71.04986	0.6
71.63562	0.6
75.04457	0.8
79.05478	0.9
81.03396	0.7
81.07039	0.7
83.04969	0.5
85.02894	18.5
87.04456	12.1
91.05475	2.6
94.04144	1.3
95.04964	1.0
97.02878	13.2
97.06501	1.6
102.04659	0.5
105.07006	1.1
107.08581	0.6
109.02872	0.5
109.06506	1.4
111.04402	0.6
115.03933	7.1
115.05460	1.1
117.06967	0.9
119.04917	2.2
121.06487	0.6
122.03620	4.0
123.04407	0.9
125.05967	0.9
127.03903	6.2
130.04115	1.1
133.04932	3.9
133.06491	0.9
135.04350	0.5
135.71758	0.5
137.05957	70.5
143.04901	0.8
145.06445	1.5
147.04391	3.9
149.05965	1.2
150.06699	0.5
151.03918	3.8
158.03642	1.4
159.04346	0.8
160.05084	0.7
161.05945	5.6
162.06752	5.0
163.07492	0.6
165.01791	0.5
165.06923	0.6
167.07141	0.6
173.05933	3.2
175.03911	2.0
175.07532	1.5
177.05421	2.5
177.06911	0.8
178.07755	1.5
179.08537	0.8
181.06511	0.6
183.02875	0.5
185.06015	0.9
186.03090	3.3
187.07529	0.8
189.05475	0.8
189.06964	2.5
191.03226	0.5
191.06964	0.6
191.08565	0.7
194.07265	1.0
199.03958	0.6
201.05435	42.3
202.05969	0.6
202.07729	0.6
203.06982	1.4
203.08632	0.7
205.06458	7.8
206.07292	3.7
207.06424	1.1
207.08145	0.6
211.07458	0.8
213.05469	4.7
214.06094	0.7
215.03450	0.5
217.06528	2.7
218.07291	1.5
219.06331	0.9
219.08176	1.2
221.05995	1.7
221.09637	1.2
222.06717	3.7
223.07564	1.1
225.09152	0.5
227.07063	1.6
231.06378	4.7
233.05986	8.7
234.06721	13.9
235.07495	4.1
236.08235	0.6
237.09065	5.7
239.06990	0.9
241.08551	0.6
244.05296	0.6
245.06003	4.7
246.06717	1.4
247.07475	2.4
248.08318	1.4
249.05493	1.5
249.09071	6.7
250.06194	7.3
251.07011	3.5
252.07832	0.7
253.08426	0.6
255.06253	0.7
259.07584	1.3
260.08270	0.5
261.05484	3.2
261.08731	0.6
261.54816	0.5
262.06204	14.6
263.06979	3.9
264.07727	3.3
265.08563	16.1
266.09232	2.5
267.06506	1.9
268.07376	0.6
269.08124	0.8
272.04486	0.7
273.05347	4.5
274.06174	2.2
275.06989	1.4
276.07822	1.3
277.05154	1.3
277.08560	20.0
278.05695	3.5
278.09161	1.3
279.06696	2.5
279.09976	2.6
280.07202	0.8
282.08817	1.9
283.09760	0.8
287.07047	2.3
288.07431	0.5
289.04987	1.2
290.05719	19.3
290.09061	1.0
291.06430	1.2
291.10089	1.1
292.07245	7.4
293.08038	16.7
294.08844	4.4
295.06015	1.0
295.09589	1.4
297.11154	4.1
304.07431	1.0
305.08047	36.2
306.08685	2.1
307.06042	1.7
307.09570	23.5
308.10236	1.0
309.07800	1.0
309.11029	3.5
310.08234	2.0
319.09503	3.3
321.07574	0.7
322.08273	4.4
323.09180	1.0
325.10663	100.0
326.10950	2.2
329.06522	0.8
335.09073	0.7
337.10651	90.0
338.11014	3.1
339.12332	0.7
343.11737	9.4
345.09644	1.2
349.10574	1.2
351.10922	0.6
355.11752	16.2
364.64398	0.5
365.10291	0.6
383.11240	0.8
391.11539	0.8
401.12292	6.9
402.12314	0.8
409.12686	1.1
421.12619	1.5
421.38498	0.5
433.12579	0.8
463.14078	0.6
469.14859	7.3
481.14865	2.5
487.15918	14.7
488.16455	0.9
499.16113	2.9
517.17157	4.5
635.34381	0.5
649.21075	3.5
655.63940	0.5
673.75604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
67.05469	0.9
68.99769	0.9
69.03413	0.6
69.07042	0.7
69.50792	2.9
71.04981	0.4
79.01795	0.4
79.05470	1.2
81.03386	0.5
81.07034	0.8
81.30045	0.3
83.08589	0.5
87.00787	0.4
91.05461	0.8
93.07034	0.7
95.04941	0.6
97.02897	0.7
97.06527	2.4
103.05429	0.4
105.07029	0.8
107.04914	1.0
107.08527	0.5
109.10106	0.4
113.71793	0.3
115.05452	0.8
117.03336	0.4
117.07015	0.4
123.04411	0.8
125.05920	0.4
126.03108	0.5
128.06184	0.9
129.06995	0.8
131.04898	0.4
131.08537	0.9
133.06473	0.8
133.10101	0.4
135.04388	0.5
135.08089	0.4
141.06967	1.1
142.07793	0.5
143.08495	0.8
145.02774	1.0
145.06459	0.6
147.04410	1.7
149.05943	0.7
149.07265	0.3
150.51732	0.4
151.03922	0.4
151.07520	0.6
153.01788	1.6
153.06953	1.1
155.08501	0.7
157.06458	0.7
160.05191	1.2
161.02371	0.4
161.05965	2.9
163.03906	2.7
164.04710	0.5
167.07108	1.9
167.08337	0.5
169.06442	1.7
170.02145	0.7
171.08075	0.9
173.05980	1.4
174.06680	0.5
175.03897	0.5
175.07533	0.8
177.05434	2.6
178.06232	8.6
179.03410	0.8
179.06940	0.9
181.06535	0.5
181.08340	0.4
184.05167	0.6
185.05943	1.3
185.09599	0.4
187.03918	0.9
187.07516	2.0
189.05434	3.5
189.09077	0.9
191.07069	1.8
192.07770	0.7
193.04912	0.4
196.05194	0.4
197.06015	0.9
199.07515	1.5
200.04688	0.6
200.08307	0.4
201.05383	2.0
201.09070	0.5
202.06258	0.6
203.03351	0.5
203.06978	0.7
204.04279	0.4
205.04935	0.9
205.08606	0.5
211.03963	0.4
211.07558	0.9
213.05424	2.6
214.06178	0.4
215.03461	0.9
215.07002	2.8
216.04172	1.3
216.07706	1.0
217.04932	0.4
217.08655	1.6
225.05417	0.5
226.06316	0.4
227.03416	0.4
227.06978	0.8
228.04187	0.5
228.07788	1.2
229.04906	1.9
229.08601	0.9
230.05643	1.7
231.06477	1.9
231.10188	1.0
239.07071	0.7
240.04100	0.5
241.04878	2.6
242.05624	0.6
243.02802	0.4
243.06544	1.7
244.03647	1.0
245.04465	0.8
247.06030	1.0
253.05150	0.6
255.02820	7.8
255.06480	0.6
256.03519	0.5
256.07202	1.1
257.04437	1.6
257.08188	1.0
258.05188	1.4
259.05872	2.4
259.09625	0.7
269.04468	4.9
271.05740	0.7
272.06750	0.7
275.05493	6.1
283.02576	2.0
283.05643	1.8
284.03415	0.9
284.06738	12.6
285.03915	1.0
285.07529	2.5
287.05490	7.6
287.09073	1.9
297.03915	3.0
298.04684	0.7
299.05511	1.7
300.02679	2.5
300.06201	0.9
301.07022	0.8
311.05493	1.2
312.06256	2.7
313.06912	3.6
314.04190	0.7
315.05008	46.5
315.08551	6.7
316.05341	1.5
316.08688	0.4
329.06653	2.2
329.10507	0.4
330.07281	23.1
331.08029	0.4
343.08051	4.8
344.08896	6.0
345.09637	62.7
346.10062	2.0
357.09537	0.5
367.08154	0.5
425.12085	0.6
444.08646	0.4
445.08618	0.4
459.06808	0.4
473.08701	0.5
487.10635	0.8
503.06418	0.6
533.11084	0.6
550.11090	1.9
551.12476	0.5
571.11249	0.4
601.16858	0.5
611.26459	0.6
647.17523	100.0
648.17877	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	647.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17032	0.2
51.02365	0.4
54.92032	0.3
55.01844	0.8
57.03429	0.4
67.05477	0.8
68.99760	0.9
69.75500	0.7
69.75912	0.9
77.46543	0.2
79.01844	0.4
79.05460	0.6
81.03381	0.4
81.06995	0.3
87.00781	0.4
91.05452	0.5
91.73415	0.2
93.07011	0.3
95.01297	0.5
95.04944	0.4
97.02866	0.7
98.20730	0.4
103.05407	0.3
103.56042	0.3
105.06978	0.3
107.04911	0.7
107.08549	0.2
115.05393	0.7
117.03291	0.3
117.07004	0.5
119.04907	0.2
121.06468	0.2
123.04388	0.7
128.06200	0.9
129.06978	1.0
131.04944	0.3
131.08537	0.5
133.06339	0.3
135.04398	0.6
137.02324	0.6
137.05960	0.4
139.07455	0.3
141.06937	1.2
143.04916	0.3
143.08540	1.2
145.02802	0.8
145.06395	0.7
147.04381	0.8
148.05116	0.3
149.05907	0.7
152.06203	0.3
153.01778	1.6
153.05603	0.2
153.06944	1.0
155.04861	0.4
155.08499	0.5
157.06442	1.3
158.07242	0.3
159.04425	0.3
159.08054	0.6
160.05179	1.4
161.02303	0.4
161.05960	2.8
162.06786	0.4
163.03871	2.6
164.04668	0.4
165.06914	0.4
167.03465	0.3
167.07010	1.6
167.08499	0.6
169.06442	1.0
170.02139	0.3
171.04321	0.5
171.08023	1.0
173.05975	2.1
174.06752	0.8
175.03860	0.6
175.07468	1.2
176.04648	0.8
177.05461	2.8
178.02556	0.4
178.06216	9.6
179.03357	0.5
179.06943	0.7
181.06458	0.9
183.04417	0.5
183.08051	0.5
184.05141	0.4
185.05920	2.2
186.06789	0.3
187.03897	1.0
187.07466	2.0
188.04628	0.4
188.08260	0.3
189.05446	3.3
189.09010	1.9
191.03433	0.3
191.07034	1.2
192.07777	0.8
195.08061	0.4
197.05940	1.3
198.06667	0.6
199.03969	0.4
199.07462	2.0
200.04625	0.9
200.08284	0.5
201.05444	3.8
201.09113	0.8
202.06276	0.6
203.03456	0.5
203.06940	0.6
204.04112	0.6
205.04941	0.3
205.08604	0.5
211.07477	0.8
213.05420	3.8
213.08952	0.5
214.06194	0.7
215.03355	0.8
215.06969	3.1
216.04121	1.5
216.07758	1.1
217.05017	1.3
217.08559	2.5
218.05804	0.2
219.06554	0.4
223.07545	0.3
225.05437	0.8
227.03372	0.7
227.06987	0.9
228.04182	0.4
228.07823	1.3
229.04901	2.7
229.08549	0.7
230.05696	1.4
231.02882	0.5
231.06490	1.8
231.10069	1.4
233.08139	0.3
239.03310	0.3
239.07059	0.7
240.04097	0.7
241.04903	3.5
241.08649	0.6
242.05763	0.5
243.02841	0.5
243.06508	1.6
244.03622	0.8
244.07260	0.9
245.04369	1.1
245.08002	0.8
247.05972	1.1
249.07584	0.4
253.04961	0.3
255.02840	7.3
255.06369	1.3
256.03351	0.3
256.07242	1.2
257.04443	2.9
257.08038	0.8
258.05170	2.1
259.05981	2.2
259.09503	1.4
267.06528	0.3
268.03592	0.7
269.04407	6.1
270.05136	0.4
271.06042	0.8
272.03253	0.2
272.06726	1.0
273.07620	0.3
275.02496	0.4
275.05457	6.7
275.08630	0.5
281.04379	0.7
282.05392	0.3
283.02396	1.8
283.05948	1.4
284.03317	0.8
284.06732	16.3
285.03894	1.4
285.07486	2.7
286.04861	0.3
286.08188	0.5
287.05487	7.3
287.09094	1.9
288.05865	0.4
296.06656	0.4
297.03943	3.0
297.07458	0.5
298.04712	0.6
299.05481	2.0
300.02628	2.9
300.06284	1.6
301.07028	1.3
302.07703	0.3
303.08517	0.4
311.05447	1.2
312.06216	4.5
313.03458	0.5
313.06934	3.6
314.04242	0.7
314.07416	0.3
315.05008	49.5
315.08569	8.5
316.05334	1.4
316.08743	0.4
317.10071	0.4
327.08353	0.3
329.06546	2.1
330.07285	24.2
331.07626	0.6
343.08038	4.4
344.08798	5.0
345.09619	64.7
346.09958	2.1
489.12228	0.3
550.11023	0.4
629.16229	0.6
647.17480	100.0
648.17725	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	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	2.1
63.03038	1.6
66.10196	1.6
66.33745	1.9
67.05481	5.2
68.99783	2.4
69.07043	1.8
69.89902	5.3
69.90318	5.3
79.05463	6.5
80.04990	1.8
81.07033	2.9
82.18926	2.0
85.02232	1.6
91.05482	5.4
93.07014	9.2
94.06561	11.4
95.04962	3.4
95.07320	6.4
96.08118	16.1
97.02848	5.7
97.06496	5.3
97.92214	1.7
105.07009	2.7
106.06525	7.1
107.04919	2.8
108.08102	20.6
110.09668	33.4
120.04448	6.3
120.08096	22.8
121.10101	1.9
122.06033	11.9
122.09653	2.0
124.07602	14.8
134.05983	5.8
136.07565	47.9
137.05974	3.8
138.09114	45.1
144.04436	4.6
146.05962	12.1
147.04378	4.1
148.07527	23.2
149.05940	3.2
150.09081	6.3
151.07481	2.9
152.07048	31.8
153.01788	10.5
160.03931	2.9
162.05452	4.8
164.07004	10.1
166.08617	65.3
167.06996	7.9
172.03926	28.5
174.05557	3.1
174.09090	2.7
176.07016	3.7
177.05423	8.6
178.06252	2.7
181.04897	1.9
182.08209	2.9
190.04951	24.9
191.07069	2.6
197.10646	2.6
198.11560	5.4
199.12267	2.5
201.05360	2.2
204.06548	44.5
205.04910	3.2
208.09886	2.8
209.10698	3.0
210.11475	12.9
211.12288	16.4
212.12981	4.5
213.10234	3.5
218.08174	3.1
221.15598	2.5
223.12282	11.8
224.09306	2.8
224.12926	4.0
225.10149	18.5
225.13750	4.5
226.10982	10.7
227.11688	6.6
229.13213	1.8
231.06519	2.9
235.08690	4.4
235.12306	2.7
236.09462	5.3
237.10196	19.7
237.13849	3.2
238.10933	21.2
239.11760	17.5
241.13188	3.2
243.06461	2.0
246.07655	5.0
248.09441	3.5
249.10158	15.8
250.11043	13.1
251.07919	2.8
251.08998	2.2
251.11731	30.4
252.09003	3.8
252.12430	7.4
253.09731	5.2
253.13304	11.0
254.10368	2.3
255.11255	6.0
256.12021	9.7
257.12772	5.3
262.10873	7.4
263.07632	2.9
263.08569	1.8
263.11752	35.5
264.08777	7.7
264.12381	8.2
265.09821	14.3
265.13239	14.9
266.10455	11.0
267.11255	32.7
268.11880	3.8
269.12796	9.8
271.10861	3.8
271.14392	12.9
273.12326	5.2
277.09637	6.6
277.13120	2.8
278.10403	6.8
279.08231	3.7
279.11243	54.1
280.11838	8.7
281.12817	21.9
282.09818	3.2
282.13416	3.8
283.10675	7.5
284.11520	22.6
285.09351	3.7
285.12332	57.5
286.12717	2.8
287.13910	6.7
291.11267	21.8
292.11975	6.1
293.09363	3.0
293.12714	21.5
295.10715	5.0
296.11536	10.2
297.12286	82.9
298.12756	7.7
299.13846	9.4
307.10632	3.4
309.12247	34.0
310.13086	10.0
311.10175	8.6
311.13742	7.5
312.10922	4.3
313.11813	3.6
315.05096	2.5
319.10721	18.4
321.12292	23.0
323.10251	18.2
325.11807	35.4
326.12268	2.4
327.13354	16.0
329.06741	3.1
337.11792	89.3
338.12265	6.3
339.13275	6.9
341.11200	3.3
343.12747	3.6
345.09836	4.9
346.19107	4.3
356.13776	2.6
357.14392	11.6
358.15164	2.3
359.15961	5.4
360.08466	2.7
360.17026	2.9
367.12753	2.8
369.14304	7.2
370.15335	2.5
371.16162	2.5
372.17050	2.4
373.13940	3.3
374.18530	2.5
376.20334	3.8
385.13879	2.0
387.05115	2.6
390.18112	3.8
392.19543	6.0
400.16080	2.9
402.18069	7.2
404.19601	8.4
412.16196	3.3
414.17911	2.0
415.04303	8.7
416.19742	4.1
418.17334	4.5
421.20184	2.7
422.20602	4.1
430.17499	16.1
431.18198	3.0
432.19263	14.4
433.19559	2.0
436.18530	5.2
442.17517	5.3
444.19272	3.4
445.09445	3.5
446.20563	7.2
448.18616	58.7
449.19360	46.8
450.09433	4.9
450.20160	37.8
451.08826	1.9
460.18591	41.4
461.19070	4.4
462.20050	8.7
463.20697	2.9
472.18631	5.7
474.20050	8.3
476.18094	17.5
477.18854	17.5
478.19604	18.7
480.21198	3.5
490.19647	100.0
491.20422	20.6
492.21280	30.1
493.22012	5.9
522.22369	22.4
523.23035	11.3
524.23309	3.0
567.25708	5.5
571.25842	2.4
585.27228	2.7
595.25330	23.8
597.06512	2.0
613.26471	94.6
614.26465	3.5
627.11072	9.6
645.12219	77.1
645.28693	4.8
646.12390	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	645.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.03935	0.5
55.01871	0.5
55.05491	0.6
57.03399	0.3
65.86550	0.2
67.05479	0.9
68.99757	0.4
69.03420	1.7
69.98854	0.8
69.99257	0.5
71.01347	0.3
71.04974	0.6
79.05465	1.8
81.03391	0.7
81.07035	1.4
83.04965	0.5
85.02889	1.7
91.05458	1.2
93.07030	0.9
95.04950	0.8
95.08595	0.6
97.02878	20.4
97.06495	0.7
98.21484	0.3
99.04447	1.5
104.12093	0.2
105.07032	2.0
107.04951	2.1
107.08602	1.3
109.02854	0.6
109.06506	0.7
109.10148	2.8
111.04431	0.6
115.05444	0.3
117.06997	0.5
119.04909	0.3
119.08562	1.0
121.06504	0.3
123.04433	0.6
123.08075	0.4
125.05991	0.9
127.03898	100.0
128.04256	1.5
128.06189	0.5
129.06973	0.7
131.08553	0.6
133.06458	0.8
133.10120	1.0
134.38962	0.3
135.04391	0.3
135.08014	1.6
136.94913	0.2
137.02283	0.5
137.05998	0.7
137.09587	4.2
139.07561	0.4
143.08545	1.5
145.02815	0.2
145.04939	0.3
145.06477	0.3
145.10083	0.6
147.04396	0.6
147.08000	2.1
149.05975	0.7
151.03954	0.3
151.07462	1.1
153.01807	6.3
153.05450	0.3
157.10091	0.4
159.06529	0.7
159.08003	0.7
159.11685	0.4
161.05975	1.0
161.09595	8.6
163.03928	0.5
163.07516	0.4
163.11147	0.3
165.05469	0.3
165.09094	6.7
167.04903	0.3
167.07054	0.8
169.08714	0.3
169.10072	0.4
173.09641	0.4
174.06793	0.2
175.07535	0.5
177.05363	1.2
177.08994	0.3
178.06168	0.9
179.07030	0.7
179.10655	0.7
183.11647	0.3
187.07504	0.3
187.11160	0.5
189.09074	0.8
191.06940	0.5
193.05078	0.4
193.10210	0.4
195.06526	1.0
197.05951	0.4
197.09608	0.4
205.04895	1.4
205.12233	0.7
207.10136	6.0
211.11156	0.5
213.12807	0.4
215.10678	1.0
225.05438	0.4
225.11194	1.6
229.04921	0.3
233.11766	0.6
239.10674	0.6
243.06537	0.6
243.10077	0.4
253.04860	0.3
255.02884	0.3
257.04492	0.4
257.11731	2.1
261.11230	0.6
269.04562	0.5
271.02313	0.4
275.12772	2.8
279.02832	0.4
285.11340	1.0
289.09113	3.8
303.06393	0.4
303.12247	1.4
312.06305	0.3
321.13443	1.0
331.05933	0.4
337.06937	0.3
345.03839	0.3
357.15530	0.9
359.05499	0.5
360.06339	0.5
375.08661	0.5
385.03244	0.3
387.04639	1.7
388.05630	0.4
389.06766	0.5
390.11099	0.4
398.04214	0.4
401.06888	0.3
402.03003	0.3
403.04019	0.4
415.04382	5.5
416.04974	0.7
417.05719	1.1
418.10498	1.5
419.07138	0.4
421.09439	0.4
429.06094	0.5
430.06805	1.1
431.07544	1.0
432.08456	1.2
433.09085	0.9
436.08069	0.4
445.09842	2.8
446.09952	1.1
447.10867	0.7
448.11209	0.3
450.09418	3.3
451.09875	0.6
460.07343	0.5
465.12198	0.4
475.10281	0.6
483.12766	0.5
569.06958	0.5
597.06775	1.3
599.11511	0.3
627.11224	4.0
628.11896	0.7
645.12323	32.7
646.12616	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	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.05488	1.3
65.03937	1.3
67.05473	4.3
68.99732	1.1
69.03403	2.5
69.07037	2.6
69.53537	11.5
70.06575	1.6
79.05468	5.1
80.04987	1.7
81.03391	2.3
81.07037	3.1
82.06567	1.2
85.02877	1.5
87.19804	1.2
89.03906	1.2
91.05460	9.0
93.07035	10.4
94.06548	11.2
95.04963	4.3
95.07336	7.3
95.08594	1.3
95.62736	1.1
96.08109	19.0
97.02856	5.2
97.06502	6.1
103.05420	1.8
105.07009	2.1
106.06523	5.2
107.04939	1.9
107.07310	2.1
108.04446	1.7
108.08100	24.5
110.09664	30.2
116.04899	2.4
118.06490	2.6
119.08540	3.5
120.04468	6.5
120.08086	26.2
120.08938	0.8
121.02907	1.2
121.06460	1.8
121.08907	2.4
121.10111	2.1
122.06006	17.9
122.09676	2.3
124.07583	15.9
132.08052	2.8
134.05977	5.0
134.09552	1.7
136.07558	44.1
137.05937	2.5
138.09113	44.1
139.09552	1.2
144.04413	5.9
145.02794	1.6
146.05972	13.3
147.04329	1.8
148.07549	28.4
150.09123	11.5
152.07053	31.6
153.01822	8.9
160.03899	2.4
160.07552	2.5
162.05499	5.1
164.07071	11.5
165.07722	3.0
166.08604	69.3
167.06999	5.8
167.09152	1.6
172.03923	31.3
174.05438	1.8
174.09122	3.6
176.06987	4.5
177.05464	6.6
178.06219	2.3
181.04811	1.5
181.08603	1.7
182.08084	2.2
184.09793	1.8
185.10509	1.2
189.05501	1.3
190.04965	29.6
191.07069	2.0
194.08215	2.0
195.06497	2.4
196.09883	1.5
197.10695	4.9
198.05112	1.2
198.11559	7.1
199.12326	1.7
201.05478	1.6
204.06535	43.9
205.04907	2.5
205.06737	1.8
207.06519	1.4
208.10040	1.6
209.10692	3.4
210.09605	2.1
210.11459	11.8
211.08580	2.0
211.12263	14.4
212.09424	3.8
212.12943	6.6
213.13750	1.8
217.04961	1.7
218.08072	4.7
221.10765	3.1
222.11423	1.6
223.08617	3.8
223.12311	14.1
224.09421	3.9
224.13007	2.1
225.10194	17.6
225.13753	3.6
226.11002	13.0
227.11766	10.5
229.09688	1.3
229.13293	2.8
231.06520	1.7
235.08644	4.5
235.12294	6.2
236.09320	3.1
236.13002	1.8
237.10197	22.8
237.13895	3.0
238.10960	17.9
239.11748	23.6
240.12277	1.5
241.09674	2.2
241.13289	4.4
243.11255	1.8
246.07547	3.5
248.09540	4.6
249.10182	16.9
250.10938	12.5
251.07980	2.3
251.09016	2.0
251.11766	35.8
252.08926	4.4
252.12537	9.7
253.09663	5.1
253.13316	10.1
254.10370	1.9
255.11295	7.7
256.12039	8.2
257.12799	4.6
259.14398	2.4
262.11066	10.5
263.07852	2.5
263.08603	2.4
263.11758	33.7
264.08810	10.2
264.12460	9.8
265.09686	13.7
265.13315	17.4
266.10455	14.6
266.13446	2.2
267.11243	36.8
268.11902	5.6
269.12808	12.3
270.09879	1.4
271.10873	4.2
271.14368	15.0
273.12338	8.9
275.11777	3.0
276.08591	1.4
276.12622	1.9
277.09711	6.1
277.13281	2.8
278.10440	9.6
279.11234	61.1
280.11874	10.7
281.12802	21.2
282.10010	3.4
282.13351	2.0
283.10785	12.7
283.13699	2.2
284.11496	21.0
285.12292	74.3
286.12604	2.6
287.13889	7.3
289.15457	4.9
291.11243	22.4
292.12027	8.0
293.09198	3.9
293.12747	27.4
294.13327	2.2
295.10794	6.6
295.14096	2.4
296.11523	12.8
297.12286	91.8
298.12863	6.5
299.13892	12.3
307.10678	4.8
309.12296	42.2
309.15051	1.2
310.13028	10.6
311.10172	9.8
311.13846	5.5
312.10989	3.2
313.11798	5.2
315.04971	2.9
316.14511	1.8
319.10754	20.9
321.12369	25.4
322.13019	1.6
323.10272	20.1
324.11130	2.0
325.11780	43.7
326.12238	2.7
327.13300	15.8
328.14075	2.3
330.16205	1.9
334.18918	1.6
337.11768	100.0
338.12335	5.5
339.13379	7.4
341.11343	3.9
342.15796	2.0
343.12698	7.1
345.09915	2.6
346.19073	3.4
351.13306	2.0
355.13062	2.7
357.14465	11.0
358.15356	3.4
359.07724	2.0
359.16043	5.8
360.08401	2.0
362.18384	2.0
367.12891	3.7
369.14392	7.5
370.15414	2.7
371.15848	4.1
372.16882	2.7
373.13837	1.9
374.18665	3.0
376.20221	4.4
385.13852	3.8
386.14594	2.4
387.04630	2.6
388.05716	1.7
388.16437	3.8
390.18063	3.8
392.19611	5.9
397.13068	1.5
400.16589	3.8
401.16977	1.9
402.18073	8.4
404.19659	6.6
406.17697	1.7
412.16476	4.9
414.18268	2.7
415.04410	8.3
416.19592	4.0
418.17255	3.5
420.18961	4.5
422.20557	5.6
430.17590	20.8
431.18002	2.0
432.08481	2.2
432.19159	11.0
433.19687	2.0
436.18710	4.1
442.17508	5.4
444.19049	4.0
445.09399	3.9
446.20938	10.1
447.11130	2.7
448.18591	63.4
449.19379	51.5
450.09500	4.9
450.20157	47.4
451.20621	2.1
460.18637	46.0
461.18994	3.6
462.20160	8.5
463.20822	3.2
472.18726	3.5
474.20270	10.5
475.10138	1.9
476.11465	1.8
476.18143	22.5
477.18869	19.0
478.19681	22.4
480.21198	4.2
490.19656	98.4
491.20291	20.3
492.21161	28.2
493.21851	7.3
522.22333	28.2
523.22992	16.9
524.23492	3.6
567.26324	2.5
595.25403	21.5
596.25348	1.9
597.06665	2.3
613.26495	92.0
614.26801	8.1
627.11108	6.2
645.12262	55.9
645.28754	5.7
646.12170	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	645.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
53.81293	0.4
55.05520	0.6
65.03947	0.6
67.05491	2.7
68.99790	1.8
69.07056	0.6
69.28824	6.0
74.96625	0.5
79.05493	2.1
81.03431	0.9
81.07069	2.3
85.02892	0.7
91.05512	2.0
93.07059	2.1
95.04956	4.1
95.08611	0.7
97.02946	0.5
97.06563	1.9
103.05481	1.1
103.17129	0.5
105.07043	1.5
107.04971	1.2
107.08575	0.7
109.06538	2.4
119.08626	0.8
121.02784	0.5
121.06499	3.6
123.04422	17.9
123.08057	0.5
125.06036	0.6
127.03917	1.0
131.08565	0.7
133.06508	0.7
133.10086	0.5
135.04456	0.8
137.05960	4.7
139.07539	0.6
141.07002	0.5
145.02812	0.5
145.06534	0.7
147.04491	1.6
149.05974	5.4
151.07578	1.4
153.01871	1.1
153.05470	1.3
155.07065	1.3
158.69487	0.5
161.06047	0.7
162.06825	0.6
163.03979	1.4
165.05525	1.9
167.07033	14.3
172.03979	0.9
177.05510	1.3
178.06236	2.7
179.07108	2.0
180.07809	0.8
181.05045	1.4
181.08646	1.3
189.05548	0.9
191.03426	0.7
191.06969	2.7
192.07837	1.0
193.05125	0.6
194.09506	0.6
201.05489	0.8
205.05006	1.6
205.93271	0.5
213.05592	1.4
215.07100	0.5
226.06093	0.6
229.04976	0.9
241.05035	1.9
241.13501	2.0
243.06468	0.6
255.02959	0.9
255.06497	1.1
265.11914	0.6
268.03809	0.9
269.04605	2.5
269.08231	0.8
269.12967	0.9
271.06091	0.7
273.07813	0.8
281.04807	0.9
283.02551	0.6
283.06104	0.9
284.06815	2.6
287.05582	0.7
297.04004	1.3
300.06390	0.7
301.06876	0.9
311.05679	0.9
312.06250	17.7
313.07184	1.1
315.05103	2.6
315.08698	1.2
328.06104	1.1
330.07425	1.4
343.08087	3.2
344.08990	0.7
345.09787	5.8
357.09756	0.8
374.08310	0.7
375.08582	0.6
389.06491	0.7
391.08502	0.7
403.08148	0.8
405.05881	1.0
417.05838	1.1
419.07620	1.2
419.68439	0.6
429.06094	1.4
430.06915	1.5
433.05771	1.8
443.07736	1.0
445.09708	3.5
447.06445	2.8
449.08853	2.1
458.10175	0.7
460.08044	0.8
461.08313	1.1
462.09433	1.4
463.10049	6.5
465.12164	0.9
475.10397	3.9
477.11713	6.2
478.12521	1.5
479.14105	1.3
481.14957	0.6
490.12946	0.7
491.13269	0.9
493.11896	0.8
494.12613	0.6
497.14352	3.3
509.14575	16.4
523.16064	9.3
535.16089	1.0
597.08954	1.2
613.25769	1.0
617.26544	1.1
627.14545	1.7
645.19879	100.0
646.20111	7.6
662.21130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23519	0.2
51.02380	0.3
55.01861	0.3
67.05480	0.4
68.99767	1.2
70.26324	0.8
74.81618	0.2
79.05476	0.6
81.03402	0.5
81.07042	0.4
84.36211	0.2
85.02905	0.3
86.19521	0.2
89.30085	0.2
91.05469	0.6
93.07037	0.3
95.04931	0.2
95.08542	0.2
97.02862	0.4
97.06486	0.5
103.05444	0.5
105.07013	0.4
107.04926	0.7
107.08562	0.3
109.02908	0.3
109.10121	0.3
111.00825	0.2
115.05450	0.4
121.06509	0.3
123.04420	0.5
129.06984	0.3
131.04916	1.1
135.04427	0.5
135.08055	0.3
137.02330	1.9
137.05937	0.5
137.74234	0.2
139.07558	0.3
141.07037	0.2
145.06407	0.3
145.10103	0.2
147.04396	0.7
149.05959	0.3
151.07565	0.2
153.01817	2.3
157.06493	0.4
159.04466	0.3
161.02283	0.4
161.05957	0.7
163.03874	2.0
164.04575	0.3
167.07034	1.0
169.06485	0.2
171.04442	0.7
171.07890	0.2
173.06061	0.4
177.05438	1.1
178.02660	0.6
178.06206	6.0
179.03300	0.5
179.07001	0.4
183.02914	0.5
184.07314	0.2
185.05956	0.8
187.07477	0.4
189.05443	0.6
191.07004	0.7
199.03845	0.7
199.07469	0.4
201.05437	0.8
203.03351	0.9
204.04164	0.4
205.08545	0.6
213.05440	1.9
215.03384	0.4
215.06943	0.6
216.04134	1.2
216.07739	0.5
217.04985	1.4
227.03337	2.1
227.06886	0.3
228.04216	0.5
228.07803	0.7
229.04874	1.5
230.05762	0.7
231.02835	0.6
231.06479	1.5
231.10208	0.7
239.03296	0.2
240.04141	0.4
241.04840	2.2
243.06512	0.8
244.03685	0.9
244.07234	0.4
245.04410	2.0
245.08316	0.3
253.04979	0.3
255.02831	8.4
255.06544	0.5
256.03494	0.7
256.07156	0.5
257.04443	2.0
257.08109	0.3
258.05267	1.1
259.05960	1.9
259.09641	0.6
268.03644	0.4
269.04428	3.3
270.04926	0.2
271.06049	0.5
272.03125	0.3
272.06720	0.9
273.03897	20.7
274.04395	0.8
275.05356	0.4
281.04395	0.6
283.02365	1.5
283.05533	1.2
284.03519	0.4
284.06747	8.6
285.03915	0.9
285.07477	0.9
287.05466	7.1
287.08734	0.6
289.92377	0.2
297.03876	2.0
298.04568	0.5
299.05499	0.9
300.02615	2.8
300.05865	0.5
301.03278	0.6
301.07025	0.7
302.04053	0.6
303.04941	14.9
304.05234	0.3
311.05319	0.5
312.06302	2.5
313.07037	2.1
313.10934	0.4
314.04257	0.4
315.04987	40.3
315.08521	5.2
316.05392	1.2
316.08609	0.3
329.06396	1.9
330.07278	21.0
331.07471	0.6
343.04166	0.2
343.08005	5.3
344.08875	2.5
345.09622	100.0
346.10059	2.9
356.05191	0.4
371.07327	0.4
373.14020	0.5
381.11551	0.3
597.06323	0.2
613.26379	0.3
627.11597	0.3
645.12238	25.2
646.12500	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	645.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
55.05495	0.3
65.91025	0.2
67.05459	0.6
68.99754	0.5
69.03385	0.3
69.07038	0.3
70.06521	0.2
71.58420	0.3
71.58794	0.2
71.72037	0.2
79.05451	0.8
81.03380	0.5
81.07016	0.7
83.04955	0.2
83.08588	0.3
83.21113	0.2
85.02859	0.4
86.09666	0.2
91.05441	0.8
93.06995	0.7
95.04919	0.3
95.08566	0.5
97.02845	0.4
97.06522	1.0
105.06970	0.6
106.86488	0.2
106.91223	0.2
107.04905	0.4
107.08523	0.4
109.10096	0.4
110.09617	0.3
119.04916	0.5
119.08528	0.4
119.87365	0.2
120.08063	0.3
121.06446	0.5
121.10090	0.5
123.04362	0.5
125.09526	0.2
127.03909	0.2
131.04913	0.3
133.10118	0.3
135.04391	0.4
137.02318	1.1
138.09061	0.4
139.07407	0.2
141.06998	0.2
145.02766	0.3
145.06421	0.2
145.10112	0.2
147.04355	1.7
148.05066	0.2
149.05966	0.4
153.01799	1.9
157.10129	0.2
161.05925	0.4
162.06752	0.3
163.03894	1.5
167.07021	1.3
168.07813	0.2
170.02049	0.2
171.04413	0.4
172.03871	0.3
175.03914	0.3
175.07521	0.3
177.05437	1.2
178.02617	0.4
178.04723	0.3
178.06224	4.5
179.03339	0.4
183.02885	0.3
184.07338	0.4
185.05937	0.2
189.05421	0.5
191.07011	0.6
192.07784	0.3
193.04726	0.2
197.06049	0.3
199.04027	0.3
201.09114	0.3
203.03383	0.7
204.04218	0.3
204.06508	0.4
205.05031	0.3
205.06871	0.4
211.07568	0.2
213.05377	0.6
216.04124	1.2
217.04868	0.9
225.10098	0.2
227.03375	1.5
228.04021	0.3
231.06493	0.8
241.04898	0.9
243.06522	0.4
243.36295	0.2
244.03635	0.9
245.04434	1.1
253.04886	0.2
255.02872	8.1
256.03323	0.2
257.04587	0.3
257.07996	0.4
259.05975	1.7
268.03555	0.3
269.04434	2.2
271.06015	0.3
272.03018	0.3
273.03909	14.4
274.04453	0.5
281.04404	0.4
283.02350	1.7
283.05942	0.6
284.03128	0.6
284.06772	0.9
285.07394	0.5
286.04532	0.3
287.05466	7.1
287.13632	0.3
288.14404	0.3
297.03912	1.8
299.05518	1.1
300.02725	2.2
300.06015	0.3
301.03378	0.6
301.06998	0.6
302.04208	0.4
303.04837	1.2
311.05435	0.4
312.06281	2.9
312.09521	0.4
313.07022	1.7
314.07556	0.3
315.04941	37.6
316.05289	1.0
325.11304	0.3
328.05725	0.3
329.06561	1.2
330.07294	19.1
331.07773	0.5
343.08133	2.3
344.08783	1.6
345.09644	100.0
345.59085	0.2
346.09940	2.2
356.09030	0.2
371.11209	1.2
372.11624	0.9
399.15692	0.4
460.18137	0.4
468.50113	0.3
480.21033	0.3
492.21475	0.3
497.11432	0.4
512.13757	1.4
612.25397	0.7
613.25983	1.0
644.46533	0.3
645.12274	3.8
645.20068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01844	0.5
57.03406	0.3
65.03921	0.2
67.01844	0.3
67.05461	0.4
68.99467	0.3
68.99776	3.2
69.03388	0.3
69.93346	1.5
79.05440	0.5
80.75222	0.3
81.03405	0.6
81.07026	0.4
83.04935	0.3
84.08105	0.5
85.02866	0.5
87.00784	0.3
91.05466	1.3
93.03374	0.4
93.07000	0.2
94.06506	0.4
95.01274	0.3
95.04929	0.6
96.08087	0.6
97.02878	0.5
97.06509	0.4
98.21332	0.3
105.03339	0.4
105.07006	1.2
107.04942	1.5
107.08520	0.2
108.08093	0.5
109.02794	0.4
109.10129	0.3
110.09682	0.6
111.00711	0.4
111.04382	0.3
111.07991	0.3
112.01555	0.4
118.04114	0.4
119.04899	0.8
120.08054	0.8
121.02833	0.6
121.06468	0.8
122.05972	0.5
123.04401	0.4
124.07568	0.6
125.05901	0.4
126.03089	0.3
130.44235	0.2
131.04883	0.5
132.05652	0.4
133.06487	1.6
134.03546	0.3
135.04413	1.4
135.08014	0.5
136.07568	0.7
137.02287	0.6
137.05933	0.7
138.09094	0.7
139.00241	2.0
139.03813	0.4
145.02780	0.9
145.06390	0.4
145.10080	0.4
146.06004	1.4
147.04378	2.1
147.07867	0.2
147.48155	0.2
148.05063	0.4
148.07530	0.3
149.02309	0.6
149.05959	1.5
150.06714	0.8
151.07506	1.6
152.07034	0.3
153.01810	7.9
153.03067	0.4
153.05371	0.3
155.04869	0.3
157.01321	0.3
160.05101	0.3
161.05986	2.0
162.06735	2.6
163.03888	3.5
164.04659	3.3
165.01752	0.6
165.05443	0.5
165.09096	1.5
166.08589	1.0
167.07048	2.2
168.00479	1.0
168.07559	0.2
169.01312	4.7
169.06407	0.4
170.09601	0.3
171.02844	0.3
171.04324	0.3
172.03912	0.6
173.05966	0.6
175.03842	0.6
175.07501	0.3
176.04718	0.3
177.05434	3.8
178.02600	0.2
178.04681	0.4
178.06206	6.1
179.03410	1.7
179.07010	3.3
181.04933	1.7
183.02876	0.3
185.00787	2.1
185.05925	0.4
186.01566	1.6
187.03853	0.5
189.01782	0.4
189.05359	0.6
190.04910	0.7
191.03387	2.2
191.05235	0.5
191.06999	5.7
192.04076	0.3
192.07832	2.1
193.04889	0.7
193.08585	11.0
194.09305	0.5
195.06529	1.4
197.05898	0.6
198.09077	0.9
199.03828	0.5
201.05435	1.2
203.03333	1.2
203.06924	0.4
204.06458	0.7
205.04951	2.2
206.05693	1.0
207.02769	0.4
207.06456	0.6
211.03928	0.3
213.05423	0.7
215.03471	0.4
215.07056	0.7
215.11711	0.7
216.04149	0.5
216.07797	0.3
217.04932	2.0
218.05647	0.5
219.06491	1.1
225.05396	0.8
225.10190	0.4
227.03340	0.6
227.11795	0.3
228.04121	0.8
229.04897	2.8
230.05550	0.5
231.02895	1.6
231.06451	0.5
232.03596	0.4
233.08180	0.3
239.03224	0.3
239.11809	0.4
240.03958	0.3
241.04904	1.2
242.05699	0.4
243.02977	0.3
243.06519	1.3
243.11276	4.9
244.03624	0.6
244.07341	0.3
245.04396	2.5
246.05228	2.8
251.11894	0.3
253.04944	1.1
255.02867	1.4
255.06441	0.3
256.03632	0.5
257.04398	3.5
257.07178	0.4
257.08014	0.3
257.12833	0.3
258.05188	1.3
259.02332	1.2
259.05945	0.8
260.06781	0.5
261.07523	0.3
263.11722	0.3
265.13135	0.3
268.03656	0.5
269.04416	2.1
270.05188	1.1
271.02325	1.0
271.05786	1.2
272.06454	0.4
273.03879	1.8
273.07425	0.6
274.04672	5.1
277.03394	0.7
279.11148	0.5
281.04410	1.0
281.12793	0.3
283.02612	0.5
283.05911	1.2
284.03125	1.3
284.06223	0.3
285.03946	5.0
285.07309	0.6
285.12274	5.2
286.04556	2.3
287.01865	1.5
287.05490	4.1
287.13962	0.2
288.06046	0.5
289.07080	1.1
290.07617	0.4
292.05801	1.0
297.03918	1.7
297.12250	0.7
298.04715	1.2
299.01855	1.0
299.05466	3.9
299.13922	0.8
300.02612	0.8
300.05930	0.5
301.03384	2.5
301.07037	1.7
302.04178	2.7
303.05011	0.5
303.13321	4.8
311.05515	0.6
311.13748	0.4
312.06226	1.8
313.03369	7.0
313.07053	2.3
314.04105	2.0
314.07828	2.4
315.01404	0.6
315.04922	4.0
315.08475	0.5
316.05734	4.4
316.09082	0.3
317.06485	6.9
321.04068	0.4
325.03369	0.3
325.06967	0.5
325.11646	0.4
327.04929	1.9
327.13208	0.6
328.05789	0.4
329.03079	1.0
329.06516	15.4
330.07147	1.9
331.08075	19.6
332.08261	0.4
333.03574	0.3
337.11707	0.5
341.06833	0.4
342.07373	2.6
343.08545	0.4
344.08896	0.9
345.06006	7.6
345.09711	1.6
346.06735	0.3
359.07605	19.7
360.08350	32.9
361.08969	1.6
375.08737	0.5
387.04697	1.4
388.05566	0.5
389.06793	0.4
390.10983	0.4
393.05649	0.3
399.15619	0.4
400.15927	0.4
405.05969	0.3
414.07077	0.3
415.04358	4.3
416.04758	0.3
417.05881	0.8
418.10391	0.7
418.16827	0.3
423.03397	0.4
430.06812	1.0
430.17395	0.4
431.07867	0.4
432.08377	0.9
433.09332	0.4
445.09897	2.1
446.09802	0.5
447.10538	0.8
447.16785	0.4
448.18268	0.6
449.19339	0.5
450.09442	2.9
451.03366	0.5
451.09296	0.3
459.17419	0.5
460.18387	1.0
465.11673	0.3
475.09781	0.5
480.21823	0.3
485.05005	0.3
490.19620	0.7
492.20908	0.6
500.07199	0.3
553.21210	0.4
583.25311	0.6
597.06329	1.2
599.09827	0.4
612.25250	0.5
613.09772	0.4
613.26160	1.6
615.07513	0.5
627.11078	3.3
628.12268	0.3
645.12280	100.0
646.12640	6.3
652.82904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20419	0.2
52.69954	0.2
53.03929	0.2
59.68518	0.2
65.03929	0.6
67.01849	0.3
68.99778	3.1
69.03424	0.2
70.06568	0.3
70.82913	0.2
70.83276	0.8
79.05479	0.4
81.07055	0.3
85.02897	0.2
91.05473	0.7
92.02590	0.8
93.03400	0.8
93.07008	0.2
95.01332	0.3
95.04963	0.4
97.02891	0.5
101.92068	0.3
103.05430	0.5
105.03384	0.4
105.07010	0.9
107.04928	1.4
109.02850	0.3
110.03687	0.2
111.00815	0.5
111.04430	0.3
112.01569	0.2
115.05413	0.4
117.07011	0.3
119.04943	0.6
119.66324	0.2
121.02874	1.2
121.06511	1.1
123.00848	0.2
123.04407	0.5
124.01546	0.3
126.03158	0.3
131.04872	0.5
133.02850	0.3
133.06488	1.4
134.03598	0.4
135.04378	1.0
135.11679	0.3
137.02328	0.6
137.05928	0.5
139.00223	1.1
139.03886	0.3
144.14783	0.2
145.02849	0.4
145.06480	0.5
147.04382	1.5
149.02361	0.5
149.05945	1.2
150.03159	0.5
150.06760	0.7
151.03899	0.3
151.07507	1.4
153.01802	10.8
153.05414	0.4
155.04892	0.4
157.06450	0.3
159.04422	0.4
161.05914	1.7
161.08940	0.2
162.03102	0.5
162.06763	1.5
163.03879	4.0
163.07558	0.3
164.04649	2.7
165.01796	0.6
165.05453	0.5
165.09103	1.3
166.02580	0.3
166.99753	0.4
167.06990	1.3
168.00528	1.5
169.01283	3.4
171.04408	0.3
173.05988	0.5
175.03914	0.7
175.07564	0.3
176.04655	0.4
177.05437	3.0
178.06224	7.3
178.07756	0.5
179.01991	0.3
179.03358	1.1
179.06999	2.5
180.04150	0.3
180.07816	0.3
181.04977	0.8
183.04385	0.3
184.05186	0.4
185.00758	1.6
185.06023	0.6
186.01585	1.6
187.03911	0.4
189.05464	0.5
191.03371	1.6
191.06999	4.8
191.88742	0.3
192.04147	0.3
192.07843	1.6
193.08568	7.8
194.09291	0.3
195.06468	1.0
197.06027	0.5
199.03915	0.4
200.04691	0.6
201.05438	1.1
203.03351	1.2
203.07088	0.3
204.04239	0.3
204.07799	0.4
205.04886	2.1
205.06285	0.2
206.05759	0.5
207.06520	0.6
211.03862	0.5
213.05513	1.0
214.06233	0.3
215.03366	0.4
215.06859	0.4
216.04198	0.7
217.04915	3.2
218.05684	0.4
219.06506	0.7
225.05470	0.4
227.03421	0.6
227.06943	0.3
228.04144	1.6
229.04930	5.9
230.05807	0.6
231.02803	1.3
231.06523	0.7
232.03606	0.3
241.04912	1.5
242.05640	0.5
243.02835	0.5
243.06410	1.3
244.03622	0.8
244.07356	0.2
245.04414	3.5
245.08168	0.4
246.05223	2.2
253.04953	0.7
254.01924	0.3
254.05994	0.2
255.02853	1.7
255.06474	0.2
256.03696	0.7
257.04385	5.0
257.08246	0.5
258.05081	1.3
259.02405	0.7
259.06049	0.9
260.03256	0.3
267.02881	0.3
268.03674	0.8
269.04376	2.7
270.01517	0.3
270.05209	1.0
271.02756	1.1
271.05777	1.2
272.03171	0.6
273.03976	2.2
273.07635	1.0
274.04614	4.5
274.07278	0.3
275.05347	0.3
279.03030	0.3
281.04535	0.7
283.02652	1.3
283.05646	1.3
284.03140	1.6
284.06720	0.8
285.03955	8.1
285.07501	1.6
285.12244	0.4
286.04581	2.4
287.01868	0.9
287.05518	4.5
288.06326	0.5
289.07111	0.8
290.07916	0.3
292.05688	0.4
293.04666	0.2
295.05902	0.3
296.03165	0.3
297.03857	1.8
297.07141	0.3
298.04636	1.7
299.01913	1.3
299.05524	4.0
300.02597	0.8
300.05984	0.3
301.03430	2.8
301.07083	3.4
302.04178	5.4
302.07373	0.4
303.05130	0.7
311.02127	0.3
311.05469	0.9
312.02658	0.3
312.06116	3.3
313.03421	7.5
313.07074	4.9
314.04205	2.9
314.07877	1.4
315.04919	6.4
315.07916	0.2
316.05695	3.2
317.06516	5.0
326.04562	0.2
327.04935	1.1
328.05844	0.7
329.02966	0.9
329.06488	16.4
330.07239	2.8
331.04620	1.1
331.08105	9.8
342.07330	1.4
343.08163	0.8
344.08881	4.2
345.06021	5.3
345.09769	2.8
346.06750	1.5
347.05173	0.3
359.07590	8.2
360.08337	12.9
361.09091	6.3
385.03189	0.3
387.04956	0.6
388.05600	0.3
397.25790	0.4
405.06302	0.4
415.04324	2.0
417.05914	0.5
418.10431	0.6
430.06912	0.6
431.07822	0.3
432.08453	0.5
433.08688	0.3
445.09732	2.0
446.09906	0.4
447.10941	0.4
450.09259	1.4
569.07214	0.4
579.05151	0.3
595.08673	0.3
597.06610	0.6
599.10803	0.5
613.09949	0.3
617.13312	0.3
627.11163	2.6
630.10425	0.3
645.12256	100.0
646.12598	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	645.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74597	0.2
55.41636	0.2
60.98493	0.2
67.01846	0.7
68.99777	1.4
69.03400	0.4
69.95882	1.2
69.96271	0.5
70.06570	0.4
79.05482	0.5
81.87914	0.2
84.87836	0.2
89.03902	0.4
91.05482	0.7
93.03378	0.3
97.02884	0.6
98.20815	0.4
107.04955	0.8
107.60494	0.3
111.00821	0.6
117.03314	0.4
119.04959	0.3
120.05284	0.2
121.02824	0.5
121.06462	0.5
123.04434	0.6
125.05988	0.3
135.04402	0.7
136.05127	0.5
137.02307	0.8
137.05962	0.8
139.07520	0.6
145.02847	0.7
146.03233	0.3
147.04419	0.7
149.02327	0.3
149.05962	1.8
151.03896	0.8
151.07542	1.5
152.04723	0.2
153.01807	17.8
153.05382	0.5
161.05963	0.4
163.03877	1.6
165.01895	0.4
167.03372	0.4
167.07033	2.7
168.07761	0.5
169.06381	0.4
170.70206	0.3
171.02928	0.4
171.42281	0.2
175.03886	0.5
177.05441	3.7
178.06235	2.3
179.03453	0.2
179.06999	1.0
181.08591	0.7
183.04514	0.2
185.05981	0.3
191.03333	1.2
191.07031	0.6
193.05013	0.7
194.09358	0.8
195.04594	0.3
195.06474	3.1
197.05965	1.1
199.03986	0.3
205.04962	4.3
206.05624	0.5
207.04610	0.3
211.03796	0.3
213.05479	0.7
214.02611	0.3
215.03474	0.5
225.05510	1.1
227.03259	0.5
229.04851	0.6
239.03322	0.4
241.04930	1.4
243.06421	2.0
245.04459	0.7
253.04880	0.5
255.03067	0.4
257.04391	0.5
263.06992	0.3
265.04907	0.3
268.03769	0.3
269.04532	0.9
270.01645	0.9
271.02426	1.1
272.03082	0.5
275.06934	0.4
279.02930	0.3
281.04523	0.5
283.02368	0.3
285.04108	0.4
285.07596	0.4
287.07065	0.6
297.04022	1.1
299.02136	0.3
301.04886	0.3
303.02322	0.3
304.07388	0.5
305.04514	0.6
309.03836	0.3
311.05600	0.3
312.06223	1.3
315.06079	0.4
316.03812	0.3
316.07092	0.4
317.04419	0.7
317.08124	0.6
318.05161	0.4
319.05939	0.6
321.04007	0.3
323.05820	0.4
326.05368	0.3
328.03595	0.4
329.04446	0.4
330.05075	0.4
331.05960	1.0
331.09113	0.4
332.06760	0.7
333.03906	0.4
333.07635	0.5
334.04877	0.3
335.05576	0.8
339.06836	0.3
342.05231	0.6
343.06018	0.9
344.03006	0.3
345.03842	0.7
346.04660	0.4
347.05530	0.6
347.09268	0.6
348.06390	0.3
351.05405	0.3
355.06219	0.4
357.03925	0.4
357.07782	0.3
358.04486	0.4
358.08502	0.5
359.05396	1.5
360.06140	1.8
361.03348	0.5
361.07224	0.6
363.05032	0.7
370.08582	0.4
371.05640	1.1
372.02234	0.5
372.06491	0.4
373.03250	1.0
373.07336	0.5
374.04364	0.7
375.04871	0.7
375.08813	1.5
377.06552	0.6
379.04443	0.5
383.05450	0.4
384.06253	0.4
385.03171	0.5
385.07495	0.5
386.03668	0.5
386.07990	0.8
387.04794	4.0
388.05383	1.5
389.06476	1.2
390.11014	0.9
391.04129	1.3
392.05276	0.3
393.06186	0.3
398.04303	0.8
399.04828	0.4
401.02289	0.5
401.06577	0.9
402.07672	0.3
403.04407	0.9
403.08441	0.8
404.04791	0.4
404.09351	0.4
405.05826	1.2
409.12982	0.4
413.06958	0.4
415.04395	13.8
416.05087	1.0
416.09198	0.8
417.05984	3.6
418.10617	3.1
419.07281	0.5
420.04749	1.0
421.09177	1.1
429.05719	1.3
430.06781	3.7
431.08020	2.4
432.08423	2.9
433.09961	1.2
434.09982	0.8
435.06531	0.4
436.07874	0.5
437.08408	0.7
445.04752	0.9
445.09827	8.5
446.10098	1.9
447.10938	2.4
449.08780	0.4
450.09439	9.3
451.09341	0.4
453.05734	0.6
457.05197	0.3
459.06891	0.4
460.07846	0.5
463.10168	0.5
464.25000	0.3
465.11591	0.9
475.10278	2.5
484.07739	0.4
485.04742	1.3
493.11304	0.4
495.07312	0.4
500.06659	0.4
507.07120	0.3
515.09760	1.1
523.06519	0.6
539.09552	0.4
541.07581	0.6
551.05756	0.4
553.11127	0.4
569.07306	1.2
579.06317	0.4
595.08295	0.8
597.06543	6.0
598.07007	0.4
599.10883	1.3
612.09076	0.6
613.10114	0.5
627.11255	12.5
628.11609	0.6
645.12299	100.0
646.12567	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	645.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26661	0.3
67.01850	0.7
68.99782	0.9
70.40874	0.3
79.05540	0.3
91.05455	0.3
107.04948	0.5
111.00768	0.6
121.02774	0.3
121.06500	0.4
127.03932	0.5
128.55074	0.3
135.04410	0.8
136.05186	0.3
137.02319	0.4
147.04387	0.5
149.06010	1.1
151.03955	0.5
151.07552	1.3
153.01807	15.6
153.05402	0.3
155.04880	0.4
163.03922	1.4
165.05504	0.3
167.07048	2.1
169.06554	0.3
177.01767	0.3
177.05403	1.9
178.06244	2.1
179.07027	0.9
181.08571	0.9
191.03413	1.4
191.07027	0.6
193.05013	0.4
194.09407	0.6
195.06493	2.3
197.05957	0.8
205.04938	3.7
206.05598	0.5
213.05450	0.5
225.05536	0.8
241.04929	0.7
243.02824	0.3
243.06543	1.9
253.05023	0.4
255.02986	0.4
257.04419	0.7
269.04501	1.0
271.02383	1.0
275.06982	0.3
277.04883	0.4
279.02963	0.4
281.04547	0.7
287.07193	0.4
297.04007	0.6
303.06485	0.6
309.04007	0.4
312.06302	0.5
314.05954	0.4
315.06583	0.6
316.07260	0.4
317.08118	0.4
319.06143	0.4
321.03857	0.4
330.04913	0.4
331.06052	1.1
331.09473	0.6
332.06851	0.6
333.07498	0.4
334.91037	0.3
335.05365	0.4
337.03296	0.4
342.05176	0.4
343.06003	0.6
345.03592	0.3
345.07562	0.5
346.04282	0.4
347.05673	0.6
347.09360	0.5
349.06958	0.4
355.06003	0.6
357.03793	0.6
357.07657	0.5
358.04752	0.4
359.05292	1.4
360.06183	1.5
361.07004	0.8
362.08163	0.3
363.05310	0.4
371.05664	0.7
372.06378	0.6
373.03326	0.9
373.07480	0.3
375.04605	0.7
375.08640	1.5
377.10599	0.3
379.04160	0.8
385.03482	1.1
386.08020	0.9
387.04932	3.4
387.09012	0.4
388.05447	1.7
389.06644	1.2
390.10980	0.9
391.04480	1.0
393.05692	0.3
398.04144	1.0
399.04837	0.3
401.06625	1.0
402.03198	0.4
402.07794	0.4
403.04019	0.7
403.08588	0.7
404.04794	0.5
404.09360	0.5
405.06110	0.7
415.04330	12.9
416.05011	0.9
416.09155	0.8
417.05911	3.0
418.10431	4.5
419.11807	0.6
420.04868	0.7
421.09235	1.0
429.06030	1.2
430.06836	2.8
431.07944	1.9
432.08453	2.7
433.09567	1.3
434.10028	0.4
436.07959	0.4
437.08627	0.6
445.09784	7.6
446.09903	1.8
447.10858	2.3
449.08823	0.5
450.09402	7.4
451.09561	0.4
460.07837	0.7
463.10474	0.4
465.11993	0.7
471.10855	0.5
475.10083	2.0
515.09631	0.9
523.06372	0.4
543.08282	0.4
553.11432	0.4
569.06921	1.2
579.05811	0.4
595.08112	0.4
597.06482	3.0
599.12274	1.4
612.08429	0.6
613.09418	0.4
615.07574	0.4
627.11249	10.7
628.11737	0.5
645.12292	100.0
646.12579	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	645.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89489	0.2
53.03943	0.3
55.01871	0.3
65.50161	0.3
66.49770	0.2
66.83898	0.2
67.01852	0.8
68.99780	0.9
69.03410	0.7
69.30704	2.7
78.04630	0.2
79.05479	0.4
81.03416	0.4
85.02920	0.4
88.08270	0.3
89.03960	0.3
91.05463	0.4
97.02895	0.7
98.21469	0.5
107.04948	0.7
109.02858	0.4
111.00779	0.4
111.04430	0.3
118.04138	0.3
121.02816	0.4
121.06519	0.3
123.04382	0.6
127.03893	1.2
133.02795	0.3
133.06441	0.4
133.10233	0.2
134.03592	0.4
135.04402	1.0
137.02284	0.3
137.05957	0.5
139.07570	0.5
147.04398	0.9
149.05960	2.3
151.03911	0.9
151.07524	1.7
153.01810	17.4
153.05418	0.4
162.03143	0.4
163.03909	1.6
165.01840	0.4
165.05502	0.2
167.07028	2.4
168.07797	0.5
169.06509	0.3
171.02954	0.3
175.03860	0.4
177.05460	2.5
178.06204	1.8
179.03401	0.4
179.07030	1.3
181.08607	0.7
185.06024	0.4
187.04031	0.2
191.03426	0.8
191.07037	0.6
192.07733	0.3
193.04959	0.8
194.09332	0.5
195.06506	2.7
197.06012	1.0
199.03888	0.4
203.03326	0.3
205.04935	4.5
206.05656	0.5
208.07344	0.2
212.04601	0.2
213.05476	0.8
215.03375	0.3
221.08163	0.4
223.03879	0.4
225.05434	1.1
229.05070	0.5
239.03406	0.5
241.05052	1.0
243.06450	1.7
245.04442	0.4
250.06404	0.3
253.05037	0.5
255.02884	0.7
257.04590	0.7
265.04919	0.3
267.02869	0.2
269.04480	1.0
270.01614	0.5
271.02438	1.2
272.02994	0.3
279.02884	0.5
281.04556	0.3
287.07043	0.4
288.07803	0.3
289.04883	0.5
290.05722	0.3
291.10101	0.2
297.03946	1.4
303.02719	0.4
303.06473	1.0
304.07254	0.4
309.03998	0.4
312.06189	0.5
313.03690	0.3
315.06488	0.8
316.07138	0.3
317.04630	0.5
317.07922	0.5
319.05960	0.7
321.04080	0.4
321.07642	0.4
328.03568	0.6
328.07324	0.3
329.04556	0.6
331.06009	1.2
331.09485	0.5
332.06860	0.7
333.04105	0.4
333.07532	0.3
335.05319	0.5
337.03400	0.5
341.08160	0.4
342.05185	0.7
343.06058	0.5
344.03165	0.4
345.03903	0.5
346.04831	0.4
347.05338	0.4
347.09213	0.6
351.05176	0.3
357.03915	0.5
358.08475	0.4
359.05484	1.7
359.09317	0.4
360.06024	1.4
361.02997	0.4
361.07236	0.9
363.08740	0.4
369.03604	0.3
370.04425	0.4
370.08502	0.3
371.05566	1.1
372.02438	0.4
373.03360	0.7
373.07321	0.6
374.04111	0.7
374.08206	0.3
375.04901	0.7
375.08942	1.6
379.04428	0.4
385.03293	0.9
386.03592	0.5
386.07953	1.0
387.04852	4.1
388.05640	1.7
389.06458	1.0
390.10867	1.2
391.03915	1.3
398.04242	1.0
399.04965	0.6
401.02213	0.5
401.07114	1.2
402.07556	0.4
403.04300	0.8
403.08426	0.6
404.04950	0.4
405.06113	0.8
409.07294	0.3
413.06894	0.4
415.04379	15.3
416.04636	1.7
416.09854	0.5
417.05862	3.4
418.10507	3.6
419.07263	0.4
420.04645	0.8
421.09216	1.0
429.05731	1.4
430.06848	2.7
431.07895	2.0
432.08328	2.7
433.09518	1.7
434.10089	0.6
435.06470	0.6
435.11621	0.3
436.07886	0.7
437.08453	0.4
445.09793	8.6
446.10025	1.6
447.10818	2.4
449.08804	0.3
450.09406	9.4
451.09711	0.4
453.05771	0.4
459.06229	0.3
460.07956	0.8
465.11670	0.9
471.10553	0.3
472.07910	0.3
473.08789	0.4
475.10199	2.0
485.05130	0.5
495.06918	0.4
497.08594	0.4
500.07413	0.5
515.09497	0.8
523.06415	0.5
541.07465	0.6
551.05731	0.5
553.11450	0.3
557.11444	0.3
567.09344	0.5
569.07355	0.7
579.06128	0.3
595.09119	0.4
597.06641	3.3
599.11621	1.3
600.02094	0.3
612.08600	0.5
613.09857	0.5
627.00879	0.6
627.11206	11.0
628.11810	0.7
645.12299	100.0
646.12604	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	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99767	0.4
71.15401	0.4
84.94351	0.3
133.41852	0.3
137.02335	0.4
139.07513	0.5
149.05997	1.0
151.03918	0.4
151.07555	1.0
153.01808	16.3
153.05450	0.5
162.03128	0.4
163.03880	1.4
163.84642	0.4
167.07016	2.0
177.05495	1.4
178.06235	1.7
179.07080	1.2
181.08601	0.5
191.03418	0.9
191.07095	0.6
193.04944	0.6
194.09396	0.6
195.06535	3.1
196.68034	0.4
205.04910	3.9
206.05751	0.5
213.05574	0.7
224.67897	0.3
225.05623	0.9
241.05003	0.5
243.06468	1.6
255.02802	0.4
257.04584	0.5
269.04514	1.1
270.01730	0.7
271.02521	0.9
279.03024	0.5
293.04202	0.4
297.04053	0.5
300.06277	0.4
305.04169	0.4
309.04028	0.5
312.06238	0.7
313.07089	0.4
317.04547	0.6
318.05594	0.4
319.06012	0.6
329.04153	0.5
331.05902	0.8
331.09778	0.5
332.06934	0.5
343.05841	0.7
345.03671	0.5
345.07483	0.7
346.04852	0.5
347.05417	0.5
347.09442	0.5
357.03601	0.6
359.05505	0.6
360.06302	1.4
361.07120	0.6
371.05692	0.5
372.02481	0.5
372.06580	0.5
373.03250	0.7
373.07346	0.5
374.03955	0.6
375.08755	1.2
377.06802	0.7
380.46204	0.4
385.03244	0.5
386.07977	0.8
387.04803	3.6
388.05762	1.4
389.06607	0.9
390.11050	1.4
391.04468	0.6
398.04056	0.7
399.04865	0.7
401.07031	0.8
402.07547	0.7
403.04004	0.8
403.08853	0.8
404.04822	0.5
404.09552	0.5
405.05911	0.9
414.07755	0.4
415.04395	13.2
415.09869	0.6
416.05164	1.3
416.09683	0.7
417.05954	3.1
418.10510	5.3
419.07242	0.7
421.09464	1.6
429.06003	1.6
430.06888	3.7
431.07962	2.8
432.08347	2.9
433.09592	1.7
434.09976	0.7
436.07822	0.7
445.09811	10.3
446.09839	2.1
447.10590	2.5
450.09409	9.8
451.09247	0.7
460.08209	0.6
465.11600	0.8
475.10541	2.4
485.04837	0.5
515.09735	0.6
553.11249	0.5
567.09113	0.5
569.07013	0.9
571.12775	0.4
595.08691	0.5
597.06500	3.9
599.10413	0.7
612.08752	0.6
613.09302	0.6
627.11237	11.2
645.12299	100.0
646.12909	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	645.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01886	0.2
58.08288	0.3
59.98144	0.2
63.88446	0.3
67.01855	0.5
68.99780	1.2
69.02187	0.3
69.03433	0.4
70.06776	1.4
79.05510	0.4
79.06169	0.2
84.72060	0.2
85.02899	0.4
91.05487	0.3
95.04939	0.4
97.02885	2.5
98.21375	0.3
107.04929	0.9
109.10157	0.2
111.00764	0.5
111.04477	0.3
121.06506	0.4
123.04444	0.4
123.08046	0.3
125.05934	0.3
127.03897	10.9
135.04366	0.7
136.05170	0.3
137.02332	0.7
137.05972	0.3
137.09605	0.6
139.07530	0.6
147.04381	0.5
147.08087	0.4
149.05943	2.5
151.03911	0.7
151.07492	1.4
153.01802	16.5
153.05457	0.8
161.09578	1.5
162.03186	0.3
163.03877	2.0
165.01819	0.7
165.05568	0.3
165.09106	1.1
167.03368	0.6
167.07028	1.9
170.18636	0.2
177.05429	2.6
178.06236	2.2
179.03395	0.6
179.07047	1.3
181.08606	0.5
185.06026	0.4
187.40041	0.3
191.03432	1.2
191.06992	0.8
192.07903	0.2
192.74744	0.2
193.05035	0.6
193.08669	0.3
194.09383	0.6
195.06520	3.1
197.05992	1.1
205.04933	3.7
205.06622	0.4
206.05727	0.6
207.10207	0.8
212.04745	0.4
213.05516	0.5
215.03624	0.3
223.03790	0.3
225.05444	0.9
227.03345	0.4
228.04185	0.3
229.04881	0.4
239.03230	0.3
241.04967	0.8
243.02765	0.3
243.06485	2.0
245.04387	0.8
253.04909	0.6
255.02745	0.4
257.04449	0.7
265.05072	0.4
267.02774	0.4
269.04547	1.0
270.01645	0.6
271.02393	0.9
272.02969	0.4
275.07108	0.3
275.12717	0.4
281.04700	0.4
285.03897	0.3
285.11246	0.4
287.07141	0.6
297.03964	0.7
298.04718	0.4
299.06085	0.3
303.02972	0.6
303.06506	0.5
305.04471	0.7
307.06375	0.4
309.04013	0.4
311.05527	0.4
312.06250	0.6
313.07184	0.3
315.05212	0.3
316.03763	0.3
316.07376	0.6
317.04468	0.6
317.08057	0.7
318.05246	0.4
319.05942	0.7
321.04041	0.4
327.06589	0.3
328.03748	0.4
331.06018	1.5
331.09457	0.6
332.07007	0.8
333.03860	0.5
333.07651	0.7
334.04752	0.5
335.05484	0.4
337.03561	0.6
342.04999	0.5
343.05948	0.7
345.03979	0.6
346.04834	0.4
347.05588	0.7
347.09375	0.6
347.72983	0.3
357.03842	0.6
358.04590	0.5
358.08640	0.3
359.05490	1.1
360.06454	1.4
361.07034	0.8
363.04700	0.6
370.04517	0.4
371.05557	1.0
372.02448	0.5
372.06473	0.4
373.03265	0.8
373.07196	0.6
374.03955	0.5
375.04694	0.6
375.08762	1.7
377.06497	0.4
379.04434	0.6
385.03088	0.6
386.08029	0.7
387.04849	3.7
387.08716	0.3
388.05399	1.7
388.10114	0.4
389.06601	1.0
390.11044	1.2
391.04501	0.8
397.03442	0.3
398.03793	0.5
399.04694	0.6
401.02454	0.6
401.06772	0.7
402.03476	0.4
403.04456	0.9
403.08737	0.6
404.04819	0.6
404.09363	0.4
405.06042	1.2
407.08105	0.4
409.13034	0.4
413.02292	0.4
414.07800	0.4
415.04407	14.6
416.05130	1.5
416.09677	0.6
417.05856	3.1
418.10446	3.7
419.07178	0.6
420.04541	0.5
421.09366	1.0
429.06052	1.6
430.06891	2.7
431.08051	2.0
432.08411	2.6
433.09332	1.2
434.10172	0.4
435.11310	0.4
436.07788	0.4
445.09848	8.5
446.10193	2.0
447.10675	2.3
449.08386	0.4
450.09402	7.5
451.09930	0.8
460.08157	0.5
463.10425	0.6
465.11865	0.7
475.10208	2.6
485.05222	0.5
495.06915	0.3
500.07376	0.6
513.08533	0.4
515.09912	0.8
523.06744	0.6
541.07861	0.5
551.06073	0.4
569.06976	0.6
579.05273	0.4
583.08594	0.4
597.06311	3.3
599.11200	1.3
612.09180	0.7
627.11249	11.3
628.11987	0.6
645.12286	100.0
646.12665	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	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01862	10.6
55.05241	1.8
55.05505	28.1
57.03432	9.6
57.07063	5.4
64.00710	1.1
65.03938	2.6
67.05497	69.1
69.03416	3.3
69.06694	1.6
69.07059	25.6
70.41158	1.2
70.86758	2.4
71.04980	6.4
71.08610	1.5
72.88300	1.4
77.03925	1.3
78.84457	1.1
79.05484	60.0
80.05816	1.2
81.03409	4.1
81.07049	100.0
83.04980	9.8
83.08617	16.2
85.06553	5.7
85.10120	1.7
91.05470	65.8
92.05775	1.4
93.07033	65.1
95.04964	12.8
95.08593	48.0
96.08939	1.5
97.06512	12.2
97.10146	8.6
99.08084	3.6
103.05473	2.0
105.04466	1.8
105.07016	61.2
106.07346	1.6
107.04926	8.2
107.07837	2.1
107.08580	41.3
109.06507	11.9
109.10154	20.9
111.08073	6.4
113.09672	1.9
115.07515	1.6
116.06259	1.2
117.07012	22.1
119.08566	53.8
119.09422	2.9
120.08895	2.0
121.06528	4.4
121.10133	32.3
123.08061	8.4
123.11714	8.5
125.09640	4.9
127.07523	1.8
128.06236	2.4
129.05513	1.5
129.06993	12.0
131.08556	32.0
133.06512	1.9
133.10110	36.7
134.10474	1.8
135.08047	5.8
135.11676	18.7
137.09601	4.4
137.13232	2.4
139.11154	1.4
141.06975	2.6
142.07816	2.1
143.08572	11.5
144.09329	1.5
145.10098	28.8
147.08029	3.7
147.11662	32.4
149.09605	9.6
149.13235	11.6
151.11159	4.7
155.08565	4.9
156.09367	1.6
157.10120	12.0
159.08032	2.5
159.11682	22.6
161.09607	3.9
161.13237	24.3
163.11154	8.6
163.14824	3.8
165.12724	5.6
167.08551	1.9
169.10106	5.0
171.11676	14.1
173.09499	2.7
173.13272	14.6
175.11212	4.6
175.14812	10.8
177.12708	2.6
179.14313	1.7
181.10165	1.9
183.11693	6.2
185.13251	10.7
187.11151	1.7
187.14789	4.6
189.11227	1.5
191.10667	2.0
191.14336	2.6
193.12228	2.3
195.11638	2.4
197.13231	5.0
199.14827	7.5
201.16418	2.3
203.14282	3.5
205.15759	1.5
209.13319	2.2
211.14944	2.3
213.16414	3.2
215.14362	1.6
215.18039	2.9
217.15907	1.8
217.19530	3.2
221.13203	2.0
221.15456	1.7
223.14949	1.8
225.16451	2.4
227.17969	2.6
229.19513	3.4
231.21127	1.9
235.14784	1.5
239.17934	3.8
241.19498	21.3
245.18935	2.2
247.20459	2.6
257.18961	8.7
259.20551	35.6
260.21017	1.8
261.22067	4.4
263.20056	5.2
269.17368	2.3
271.20508	1.8
273.18439	8.3
273.22183	1.1
275.20020	35.5
276.20398	1.6
277.21719	5.9
289.21695	3.8
291.19510	6.8
293.21198	5.7
315.23260	3.0
329.24844	1.5
333.24228	31.1
335.25797	9.2
337.24103	1.8
347.22171	1.9
349.23773	11.2
351.25287	5.2
363.25381	3.3
365.23239	4.8
367.24756	15.8
501.35535	3.0
503.37457	2.3
513.35907	2.7
515.37659	3.2
517.38812	2.2
527.37103	5.3
533.39795	3.7
551.40717	5.7
567.40314	1.9
583.21918	1.9
595.43689	1.5
597.44824	2.1
607.43365	11.9
625.44543	26.3
626.45123	3.2
643.23651	2.4
643.45795	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13645	1.0
53.03923	3.2
55.01865	8.2
55.05502	14.7
57.03428	25.4
57.07059	1.5
58.63326	0.8
59.45541	0.8
65.03923	4.5
67.05496	64.4
69.03411	1.9
69.07060	13.6
71.04974	4.2
78.92941	0.9
79.05483	40.3
79.96645	0.8
80.05829	0.9
81.03397	1.3
81.07044	46.2
83.04948	3.7
83.08616	5.3
85.06534	12.8
85.99821	1.0
91.04929	1.8
91.05466	30.0
93.07030	38.5
93.40289	1.1
95.04955	48.0
95.08010	1.7
95.08594	30.6
97.06521	5.1
97.10132	2.9
105.06342	1.5
105.07012	22.6
107.04926	8.1
107.08574	23.6
109.06504	59.8
109.10146	10.7
110.06844	1.4
111.08054	2.7
113.05990	33.7
115.05360	1.6
115.40229	0.9
116.06227	1.4
117.07010	12.2
119.08558	14.2
121.06501	5.2
121.10123	12.7
123.08034	4.1
123.11656	3.2
125.09608	1.1
128.06206	1.9
129.07011	6.3
131.08549	18.3
133.06439	2.8
133.10120	11.7
135.08028	46.8
135.11665	9.9
136.08398	1.4
137.09619	2.7
141.06946	1.5
142.07753	0.9
143.08553	8.0
145.10103	11.8
147.08049	4.6
147.11644	5.9
149.09593	5.6
149.13261	4.3
155.08485	1.5
157.10095	5.1
159.08029	2.2
159.11696	6.9
161.09613	8.9
161.13217	2.9
163.11143	3.3
163.14812	1.2
169.10123	2.1
171.11607	4.5
173.13199	4.8
175.11174	2.2
175.14766	1.2
177.12698	3.8
179.14323	1.4
183.11618	2.2
185.09616	1.4
185.13203	1.8
187.11122	1.2
187.14738	1.2
189.12770	1.3
191.10577	0.9
195.11684	1.4
195.13676	1.6
197.13365	1.1
199.11159	1.7
199.14763	2.9
201.12677	2.2
215.14690	1.0
217.15833	14.7
219.13870	1.6
227.17990	1.1
229.16206	1.0
229.34702	1.1
233.15305	2.1
233.34900	1.0
237.16304	2.1
245.18965	2.2
250.19093	0.9
255.17390	3.5
259.20364	1.1
261.21985	2.2
273.18451	37.3
275.20010	1.0
291.19504	100.0
292.19821	4.9
309.20657	1.2
315.43130	1.0
335.25754	87.6
336.26093	3.9
347.22092	7.9
365.23190	7.8
467.66632	1.1
494.58420	1.1
567.39917	1.6
607.43365	3.6
625.44556	24.1
626.44476	3.5
633.49835	1.0
643.44165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01871	7.2
55.05499	27.4
57.03431	10.3
57.07063	3.5
60.98109	1.3
65.03930	4.6
65.13979	1.2
67.05493	77.4
68.05820	1.6
69.03413	2.0
69.07058	30.3
70.12608	1.2
70.87060	3.5
71.04982	5.8
71.08623	1.5
71.65752	1.6
72.39389	1.4
77.03932	1.6
78.49616	1.7
79.05482	59.6
81.03410	4.1
81.07046	100.0
82.07376	2.2
82.19315	1.3
83.04971	8.6
83.08599	14.4
85.06523	5.0
85.38383	1.3
87.42122	1.4
91.05466	67.3
92.05773	1.2
93.07031	64.9
94.07384	1.5
95.04958	11.7
95.08591	53.0
97.06514	11.1
97.10152	6.4
99.08090	1.9
103.05457	2.6
105.04491	1.2
105.07016	74.1
106.07342	1.3
107.04924	10.0
107.08578	41.5
109.06511	8.9
109.10138	24.3
111.08058	4.9
113.09548	1.6
115.05450	2.1
117.07005	22.8
119.08559	57.9
121.06484	6.2
121.10117	25.7
123.08039	7.2
123.11678	8.7
125.09613	5.3
128.06197	3.2
129.06972	11.6
130.07774	1.7
131.08556	34.9
131.09483	2.8
133.06479	2.6
133.10107	47.8
134.10449	1.6
135.07997	7.2
135.11658	19.1
137.09608	4.2
137.13248	1.6
139.11133	3.7
141.06964	2.2
143.08568	12.0
144.09406	1.5
145.10098	27.7
147.08026	2.8
147.11662	47.1
149.09592	7.1
149.13226	12.9
151.11104	3.4
155.08528	4.8
157.10107	14.0
159.11664	24.1
161.09583	3.3
161.13243	31.8
163.11121	6.7
163.14864	3.2
165.12744	7.6
169.10097	5.4
171.11621	16.6
173.11804	1.7
173.13223	17.1
175.11162	5.4
175.14799	14.5
177.12703	4.1
179.14313	1.9
181.10034	2.0
183.11681	5.2
184.41216	1.5
185.13248	11.1
187.11156	2.3
187.14816	5.0
189.12762	2.7
189.16418	1.7
191.14339	2.1
195.11626	2.6
195.13516	1.6
197.13269	3.8
199.14793	7.2
201.12743	2.6
201.16335	1.5
205.15936	1.8
207.13756	1.5
209.13275	1.7
211.14764	2.9
213.16304	2.8
215.14395	1.7
215.18040	1.7
217.15933	1.7
217.19400	1.6
223.14835	1.5
225.16368	1.9
229.19539	4.0
231.17311	1.6
231.21021	5.7
233.18985	2.6
237.16232	1.6
239.17859	4.2
241.19466	27.6
245.76691	1.5
247.20590	3.3
257.18921	10.9
259.20541	47.8
260.20728	1.5
265.21744	2.2
273.18570	4.5
275.20001	50.9
277.21628	4.4
291.19687	2.9
293.21201	7.4
297.22021	2.2
315.23172	6.3
333.24203	46.7
334.24036	1.8
335.25806	5.4
349.23700	9.2
351.25305	4.4
365.23322	2.0
367.24802	28.3
423.32477	2.3
424.97104	1.5
445.30115	1.6
446.29501	2.2
513.35803	2.3
515.37482	4.8
531.37665	1.7
533.39679	5.7
551.40607	6.2
583.28235	1.6
607.43390	11.2
625.44574	20.5
643.28864	1.6
643.45648	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01851	7.5
55.05503	31.1
56.35515	1.9
57.03421	11.2
57.07053	5.0
65.03928	5.7
67.05495	73.5
69.03411	6.1
69.07060	28.7
71.04979	7.1
71.61819	2.7
77.03915	1.9
79.05479	57.3
81.03396	7.1
81.07043	100.0
82.07365	4.3
83.04970	6.8
83.08606	17.5
85.02883	2.1
85.06549	6.3
91.05464	57.8
93.07030	69.0
94.07359	2.1
95.04966	14.0
95.08590	54.3
96.08956	2.0
97.02898	2.0
97.06509	14.5
97.10171	6.7
99.08031	3.6
103.05481	2.1
105.07017	72.9
106.07363	2.3
107.04955	8.8
107.08576	38.0
107.39490	1.8
109.06495	14.6
109.10141	29.2
110.10495	2.0
111.04456	2.5
111.08064	5.5
115.05424	2.9
117.07005	20.3
117.82182	1.7
119.08561	61.6
120.08901	2.0
121.06479	6.9
121.10130	32.9
123.04355	2.1
123.08059	8.9
123.11676	11.9
125.09593	5.3
128.06172	3.4
129.06987	11.6
131.08556	34.4
132.08897	2.3
133.06537	4.0
133.10112	42.4
135.08037	9.2
135.11678	18.3
137.09604	4.8
137.13266	2.2
139.11118	1.9
141.07010	2.8
142.50412	2.1
143.08545	12.9
145.06488	2.2
145.10103	27.9
147.07985	3.7
147.11665	48.0
148.12032	2.3
149.09700	8.4
149.13199	10.6
151.11185	3.6
155.08533	4.9
157.10098	15.1
159.07986	2.1
159.11684	24.9
161.09637	5.1
161.13228	27.1
163.11159	6.1
163.14796	6.0
165.12732	6.2
169.10124	7.0
171.10367	2.2
171.11691	15.9
173.09579	3.8
173.13226	14.2
174.54861	1.9
175.11163	3.6
175.14813	14.5
177.12720	6.3
183.11749	4.4
185.13287	9.8
187.14893	3.1
189.12752	4.3
189.16394	2.0
192.09442	1.9
193.12238	2.9
195.11713	3.4
197.13329	3.1
199.14764	4.0
201.12746	2.0
201.16373	3.4
207.13890	2.3
207.15840	2.3
209.13390	2.0
211.14803	2.2
213.16408	4.0
215.17999	3.3
229.19431	3.5
231.21051	3.8
239.17889	4.4
241.19507	23.7
243.14522	2.9
243.21155	2.0
255.20984	2.0
257.19003	11.8
259.20526	42.7
269.12955	2.1
273.18536	2.8
275.20044	43.4
275.23013	2.6
276.20532	3.4
277.21448	3.3
291.19577	4.4
293.21121	8.5
315.04892	4.2
315.23151	5.1
327.95593	2.1
333.24225	35.4
335.25818	4.0
345.09711	7.1
349.23608	8.8
351.20300	4.1
365.23123	2.6
367.24771	27.3
368.25415	2.3
377.31830	2.7
387.11246	1.9
490.58047	2.0
528.46887	1.9
533.40027	4.7
551.40637	4.4
607.43268	9.3
612.23047	1.9
616.41980	2.1
625.44360	14.1
643.28711	4.2
643.45721	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	643.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01849	1.1
61.01833	1.0
67.05489	1.8
70.08672	4.1
72.08153	1.0
79.05478	2.7
81.07047	1.7
91.05468	3.4
92.04996	1.5
93.05778	1.5
93.07032	3.3
94.06552	5.4
94.09023	1.2
95.04865	1.1
95.07332	2.1
96.08105	8.2
97.02895	1.3
97.06509	1.0
101.92751	1.1
108.04468	2.4
108.08104	10.9
110.09682	7.5
110.10312	1.2
116.04967	2.8
118.73421	1.0
119.08580	1.6
119.79854	1.0
120.04449	4.6
120.08080	9.2
122.05979	6.2
122.09614	1.1
124.07574	10.7
124.19865	0.9
131.28763	1.1
134.06013	4.7
136.07545	10.2
137.06024	1.5
138.09087	11.5
139.04135	1.0
144.04424	6.2
145.02859	1.2
146.06007	5.0
146.09637	1.2
148.07574	4.2
152.07089	3.0
153.01752	1.7
158.09593	1.4
160.03935	2.8
162.05490	5.6
163.03804	1.1
164.07039	2.2
166.08606	13.2
172.03922	24.4
172.07391	1.7
174.05463	2.2
175.03841	1.2
176.07092	4.3
177.05447	2.0
178.06259	1.4
179.07018	1.6
183.09093	1.2
190.04964	17.3
197.10719	2.4
199.12372	2.4
204.04619	2.5
204.06526	43.8
205.04918	1.2
205.06793	1.5
209.10678	1.8
210.09283	1.9
211.08636	2.8
212.09409	3.0
213.10303	1.3
224.09467	2.9
225.10185	11.5
226.10899	1.2
227.11757	15.0
235.08627	1.7
236.09442	2.0
237.10229	3.1
238.10851	1.6
239.11861	4.2
241.09715	1.3
241.13327	2.1
243.11191	1.5
249.10248	1.9
250.10773	1.6
251.11848	2.4
253.09691	6.5
255.11232	2.1
264.08929	3.6
265.09708	3.2
266.10434	1.2
267.11264	2.6
269.12857	18.1
271.06094	2.4
271.10684	10.0
273.12262	7.1
277.09778	2.5
279.11142	2.5
283.10663	6.0
284.11316	6.4
285.12466	7.5
286.12894	1.8
287.13919	20.9
293.09277	1.4
295.10840	3.4
297.12384	9.1
299.05515	1.2
299.13910	5.4
301.06946	2.2
301.12708	1.7
302.12897	1.4
307.10657	1.2
312.06418	1.8
312.15125	1.4
313.12253	2.3
314.12839	3.1
315.13760	2.2
316.14386	2.5
323.10120	7.8
325.11728	28.2
326.12793	1.6
327.13623	5.2
327.17032	1.5
328.10855	3.8
328.14493	2.9
329.06650	1.2
329.14902	1.8
330.16113	1.7
331.16599	2.0
339.13354	2.9
341.11832	2.5
342.12277	9.8
343.12830	10.6
344.13782	2.0
345.09265	1.3
354.12048	1.3
354.16223	1.5
355.13486	2.2
356.13889	7.5
357.14362	11.4
358.15393	4.7
365.11218	1.4
367.13281	1.2
370.15570	6.0
371.11450	1.3
371.16095	1.8
372.16995	1.6
378.17783	1.3
380.14038	2.0
382.11823	5.3
383.12439	2.8
384.13303	5.9
385.14206	2.5
386.14618	2.6
386.18787	2.8
388.16510	1.4
390.17987	5.1
397.14905	1.4
398.14972	19.8
399.15753	28.3
400.16708	1.8
402.18408	1.5
404.16064	5.9
412.16302	2.1
414.18063	4.0
416.15970	22.0
417.16464	1.3
422.17294	1.9
428.15826	3.7
430.17383	2.9
440.15991	5.3
446.17029	18.9
448.18481	1.8
458.17041	54.5
459.17490	2.0
490.19727	7.5
505.65466	1.5
565.24414	3.0
567.26208	5.1
569.23950	12.3
575.22754	1.5
583.25348	4.0
593.23969	12.7
611.24908	100.0
612.25226	5.0
643.14349	19.9
643.26917	2.9
644.14685	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03936	3.1
55.01869	9.4
55.05503	17.9
57.03431	24.7
57.07050	2.1
65.03928	4.8
67.05495	72.1
69.03405	2.2
69.07061	14.9
69.72269	0.8
71.03812	0.9
71.04165	1.9
71.04967	2.9
77.03893	1.2
79.05485	46.8
81.03395	2.6
81.07046	52.4
83.04950	3.4
83.08612	6.1
85.02895	0.8
85.06530	13.8
91.05468	36.6
93.07034	42.7
95.04958	53.3
95.08593	30.8
97.06513	5.7
97.10131	3.1
99.08073	1.3
103.05450	0.8
105.07013	28.3
107.04937	8.5
107.08575	25.1
109.06505	69.4
109.10144	12.3
111.04363	1.0
111.08047	3.3
113.05989	33.4
115.05439	1.8
116.06182	1.5
117.06998	13.0
119.08567	17.7
121.06493	5.0
121.10124	13.4
123.08050	3.5
123.11679	3.0
125.09637	1.6
128.06221	2.8
129.07016	7.9
130.07735	1.9
131.08551	19.5
133.06471	3.9
133.10121	10.3
135.08034	50.6
135.11673	10.2
137.05984	1.6
137.09570	2.3
141.06985	1.5
142.07700	1.3
143.08534	9.2
145.06462	1.4
145.10117	13.8
145.96417	1.0
147.08008	7.4
147.11649	5.7
149.09607	6.3
149.13222	4.3
149.96217	0.8
152.77124	0.8
155.08514	0.9
157.10104	7.7
159.08044	3.0
159.11705	6.5
161.09599	10.0
161.13211	3.4
163.11142	3.5
165.09074	2.0
167.79314	0.8
169.10063	1.4
171.11708	3.2
173.09550	1.7
173.13240	4.5
175.11139	2.9
175.14786	1.6
177.12698	3.8
179.14291	1.4
181.10110	1.0
183.11664	2.5
185.09624	0.9
185.13177	2.6
187.11142	1.7
187.14899	1.4
189.12698	1.8
191.14293	0.9
195.11693	1.0
195.13786	1.8
199.11148	1.1
199.14833	4.6
201.12689	1.9
217.15868	14.1
219.13812	1.2
227.17896	1.0
233.15321	2.1
237.16289	1.5
245.18916	2.7
255.17366	3.5
261.22113	2.3
263.19998	1.0
273.18457	41.2
274.18906	1.7
275.19797	1.0
279.15915	1.1
291.19498	100.0
292.19754	2.5
309.20499	1.5
319.49725	1.0
335.25763	59.5
336.26059	2.8
347.22064	6.4
365.23199	9.8
413.35260	0.9
445.56735	0.9
567.40356	2.1
607.43280	4.7
625.44611	27.1
626.45007	1.6
643.45123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22334	0.2
63.02374	0.5
65.03955	0.2
69.03406	0.2
78.04698	0.5
79.05496	0.2
81.03432	0.2
85.02911	0.4
89.03902	8.6
91.05468	0.6
94.04168	0.5
95.04966	0.2
96.53382	0.2
97.02888	0.5
101.21121	0.2
103.05460	0.4
106.04147	0.5
107.04928	0.3
117.03362	23.1
118.03686	0.4
119.04828	0.2
122.03635	1.1
124.05163	0.3
129.04512	0.2
131.04895	0.3
134.03609	2.1
135.04404	2.1
137.05956	19.5
145.02823	54.9
146.03206	1.1
147.04402	0.6
149.05960	9.2
153.05385	0.2
155.13728	0.2
158.05940	0.5
159.04404	0.3
160.25793	0.2
162.03069	0.2
163.03873	0.8
166.43497	0.2
167.03374	0.3
167.06955	0.2
177.05440	100.0
178.05809	1.5
186.05487	1.4
203.03288	0.2
205.04916	0.3
231.67976	0.2
251.06804	0.2
279.08426	0.2
283.09933	0.3
286.84436	0.2
303.04959	1.1
304.05252	1.0
305.05475	1.0
311.09094	0.9
316.44135	0.2
329.10110	1.3
353.10104	0.5
611.24335	0.2
635.33948	0.2
643.09711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68100	0.4
52.48442	0.4
52.73483	0.5
53.03918	0.7
55.01828	1.2
55.05455	3.9
57.03378	1.3
57.07028	0.4
57.44013	0.4
65.03913	0.5
67.05495	8.1
67.05827	0.6
69.03381	1.0
69.07059	3.5
70.73302	1.3
71.04939	0.9
79.05483	6.5
80.05776	0.7
81.03336	0.6
81.07043	8.6
82.07329	0.7
83.04927	0.8
83.08631	2.7
91.05474	7.9
92.05762	0.6
93.07036	5.8
95.04890	1.3
95.08594	6.0
97.06457	1.6
97.10157	2.3
105.07011	6.5
107.04890	1.0
107.08574	4.5
109.06447	1.7
109.10124	3.3
117.07010	2.8
119.08566	5.8
121.06391	0.5
121.10133	3.6
123.07999	1.0
123.11613	0.8
125.09550	1.6
128.06096	0.5
129.06905	1.8
131.08546	3.4
133.10123	3.9
135.07951	0.8
135.11603	1.7
143.08447	1.8
145.10120	3.2
147.11647	3.4
149.09499	0.8
149.13171	1.1
155.08434	0.7
157.10033	1.8
159.11639	2.1
161.13152	1.5
163.11121	0.4
167.08473	0.6
169.10042	0.7
171.11591	1.9
173.13173	1.2
175.14664	1.3
183.11592	0.7
185.13229	0.9
187.14772	0.9
189.11118	1.1
195.11736	0.6
197.13123	0.6
199.14818	0.8
205.15851	0.5
213.16461	0.5
227.12715	0.5
241.19437	1.8
259.20505	3.4
273.18353	1.0
275.20016	3.2
291.19376	1.7
292.19797	0.6
293.20734	0.7
333.24188	1.8
335.25677	0.9
349.23596	0.5
367.24689	1.7
396.12186	1.5
397.12738	2.3
398.13647	0.6
410.13873	2.8
411.14474	6.6
412.15320	4.0
413.16086	2.8
423.14575	1.4
424.10696	1.2
424.16089	3.2
425.16229	12.1
426.16843	9.9
427.17545	2.1
428.18362	1.0
437.11456	0.6
437.16516	0.7
438.12299	3.0
439.13574	15.8
440.13803	1.6
440.19208	5.3
441.19229	37.7
442.19604	3.2
451.13086	0.6
452.14130	4.6
453.15234	18.3
454.15927	6.7
457.14752	0.9
458.15454	0.5
459.20132	0.6
463.13834	1.1
464.14767	0.5
465.15787	0.9
466.11954	0.7
467.17056	25.3
468.17828	15.8
469.18793	11.8
470.19012	1.1
471.16498	1.0
472.17566	1.0
480.17892	0.6
481.14709	14.6
482.15433	4.1
485.18204	1.2
486.18799	0.7
494.17450	0.8
495.16864	3.1
496.17166	13.8
497.18082	2.7
498.18896	1.2
499.20422	1.0
508.19113	0.8
509.18176	2.3
510.18411	0.6
512.20557	1.4
513.21118	0.5
514.22455	3.1
515.37396	0.8
522.17413	0.6
523.19623	1.3
524.20441	0.8
527.23431	3.0
528.23889	0.7
533.39465	0.6
537.20038	0.6
540.19427	0.6
542.21185	1.3
555.22351	35.2
556.22681	3.4
583.21832	100.0
584.22205	8.9
587.24945	1.8
607.43494	1.2
611.21240	2.0
614.23749	1.6
615.24445	13.9
616.24713	1.6
624.43311	0.7
625.44769	3.6
643.23840	64.1
643.45361	3.4
644.23975	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	643.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55950	0.3
57.70070	0.2
63.02376	0.7
69.05006	0.3
69.81596	1.1
69.82014	0.5
78.04691	0.5
84.22554	0.2
85.02905	0.5
89.03903	8.4
89.04450	0.5
91.05474	0.8
97.02886	0.4
97.06537	0.3
103.05474	0.5
114.31139	0.2
117.03361	23.7
118.03632	0.3
119.04934	0.6
121.06496	0.3
122.03647	0.7
125.80363	0.2
126.78761	0.2
131.04900	0.3
134.03618	1.7
135.04430	1.9
137.05138	0.3
137.05959	18.7
145.02827	51.5
146.03157	1.1
146.05919	0.3
149.05963	9.5
150.06305	0.3
159.04443	0.4
163.03879	0.6
175.03879	0.3
177.05443	100.0
178.05769	1.8
179.03236	0.3
179.05937	0.3
186.05469	1.4
204.67732	0.3
248.99574	0.3
279.08560	0.3
284.41800	0.3
303.04819	1.1
304.05219	0.7
305.05499	1.0
311.09076	1.2
311.12219	0.3
329.10269	1.4
339.10648	0.5
353.10220	0.4
533.79437	0.3
543.33826	0.3
544.97363	0.3
561.92151	0.3
643.10260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.3
59.15915	0.2
66.78694	0.2
67.05485	0.5
68.99786	0.7
69.03432	0.5
69.07053	0.4
69.58192	0.2
71.04981	0.4
71.42161	0.3
71.42493	0.4
79.05488	0.8
81.03397	0.6
81.07040	0.7
83.04968	0.5
85.02901	0.5
90.69672	0.2
91.05479	0.7
93.07039	0.9
95.01322	0.3
95.04923	0.6
95.08594	0.3
97.02922	0.5
97.06501	0.4
103.05483	0.5
105.06992	1.0
107.04932	1.1
107.08595	0.4
109.02847	0.3
109.06511	0.4
109.10108	0.3
112.52000	0.2
116.07055	0.3
117.03350	0.3
119.04926	0.3
119.08560	0.4
121.02834	0.4
121.06498	0.5
121.10144	0.3
122.03592	0.3
123.00805	0.3
123.04437	0.6
124.05219	0.3
125.06047	0.3
129.05540	0.2
129.06952	0.3
131.04886	0.3
133.02846	0.5
133.06419	0.3
134.03580	0.6
135.04405	0.9
137.02299	0.4
137.05972	1.0
145.02875	0.5
145.10020	0.3
147.04393	0.7
148.05174	0.5
149.02350	0.4
149.05972	0.7
149.09613	0.3
151.03925	0.8
151.07533	1.0
153.01788	1.3
157.10043	0.3
161.05910	0.5
163.03917	1.7
163.11287	0.2
164.04681	0.4
164.07039	0.3
165.01779	0.3
165.05457	0.4
167.07028	2.5
173.05972	0.4
175.03781	0.4
176.04662	0.2
177.01804	0.7
177.05438	1.8
178.06215	2.1
179.03287	0.5
179.07018	0.8
181.04930	0.8
183.02919	0.3
185.05992	0.4
191.03395	0.9
191.07013	3.0
192.07692	0.5
193.04961	0.5
194.09375	0.9
195.06490	1.4
199.03906	0.5
201.05406	0.4
203.03255	0.3
205.04991	0.7
211.03915	0.3
212.04613	0.3
213.05463	0.8
214.06262	0.3
215.03506	0.2
219.02876	0.9
219.06558	0.3
229.04875	1.3
230.05779	0.5
231.02968	0.4
237.10217	0.3
239.03352	0.4
240.04169	0.4
241.04922	2.9
243.02837	0.3
245.08032	0.4
253.05017	0.6
255.02972	0.3
255.06488	0.6
257.04437	1.2
257.08029	0.4
258.01331	0.3
259.02338	0.4
261.03873	0.3
266.88882	0.3
268.03494	1.5
269.04483	2.7
269.07886	0.5
271.06064	0.6
272.06735	0.5
272.50647	0.2
281.04663	0.3
282.01819	0.2
282.05115	0.5
283.02615	0.5
283.05984	1.1
283.10739	0.3
284.03519	0.4
284.06775	2.3
285.03912	1.0
285.07187	0.5
286.04636	1.4
287.05524	0.4
287.09021	0.3
297.03876	0.9
298.01483	0.3
299.05475	0.7
300.06241	3.1
301.06995	6.5
305.04437	0.3
307.05951	0.4
309.03775	0.3
311.05524	0.3
312.06213	15.1
313.03461	0.5
313.06888	0.8
315.05060	0.5
315.08649	0.8
319.06012	0.5
321.04053	0.3
322.04706	0.3
323.05524	0.4
325.07162	0.3
327.04803	0.3
328.05798	1.0
334.04718	0.4
335.05576	0.3
336.06296	0.4
337.07150	0.4
343.08243	1.6
344.08908	1.7
345.09802	0.6
347.05591	0.6
349.03162	0.3
349.07101	0.5
350.04117	0.4
351.05026	0.6
353.06381	0.6
363.04947	0.6
365.06506	0.6
373.03476	0.4
375.05054	0.9
377.06506	0.4
379.04391	1.0
390.03378	0.3
391.04205	0.4
393.06036	0.9
402.03699	0.8
403.04465	0.8
405.06293	0.6
407.03830	0.7
417.15335	0.3
418.06888	2.1
419.07782	0.7
421.05011	1.5
422.06607	0.5
429.02203	0.4
435.07245	0.6
436.07843	1.8
437.09067	1.1
445.05478	0.9
447.03326	1.0
450.09366	1.0
451.10568	1.3
463.06104	1.6
468.04724	0.5
477.08160	2.9
478.08069	0.3
479.08038	0.3
480.07822	0.3
483.07236	0.5
495.07767	0.7
496.07901	0.4
507.07468	0.6
523.06616	0.5
539.09424	0.3
543.08875	0.9
551.05884	0.3
552.07092	0.7
557.11334	0.3
567.09113	1.1
569.11060	0.4
573.13977	0.5
580.06348	3.6
581.10693	0.3
585.10413	0.4
595.08588	15.3
596.08429	0.6
597.10022	1.9
610.11041	0.9
611.11896	0.4
611.24908	0.4
613.10052	0.6
615.14117	0.7
625.13257	1.3
628.11835	0.8
643.14343	100.0
644.14630	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	643.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98576	0.4
55.05504	0.9
57.03404	0.5
67.05487	2.9
68.99786	3.9
69.03413	0.4
69.07062	1.3
71.66193	0.8
76.47726	0.4
79.05482	1.9
81.03407	2.0
81.07035	2.2
83.05004	0.5
83.08573	0.7
91.05493	2.4
93.07033	1.6
95.04932	1.2
95.08586	1.6
97.02863	1.1
97.06522	0.9
97.10160	0.6
105.07025	1.6
106.07309	0.6
107.04946	2.2
107.08572	1.1
109.10147	0.6
111.00798	0.8
112.75023	0.5
117.06954	0.7
117.62775	0.4
119.04947	1.4
119.08591	1.0
120.08110	0.6
121.06512	1.1
121.10133	0.8
122.05966	0.6
122.09608	0.5
123.04433	0.8
127.03967	0.6
131.04848	0.7
131.08560	0.7
133.10161	1.2
135.04407	1.7
135.08080	0.8
136.07637	0.7
137.05969	1.1
139.00273	1.9
139.03932	0.5
145.02849	0.8
145.06505	0.5
145.10135	0.8
147.04369	1.5
149.02362	1.9
149.05946	0.9
149.09654	0.7
150.09099	0.6
151.07507	1.1
152.01042	0.7
153.01790	3.6
159.11613	0.6
160.05190	0.5
161.05939	1.5
162.06744	0.5
163.03877	3.2
164.04707	1.1
165.01782	0.9
165.09097	0.7
167.07021	1.1
170.02155	1.6
172.87428	0.5
175.03885	0.8
175.07391	0.5
177.05449	3.4
178.06235	5.6
179.07080	1.8
183.02948	0.8
183.04456	0.8
185.05956	0.9
189.05539	0.7
191.03403	2.0
191.07034	2.0
193.08562	1.3
199.03836	0.7
199.07544	0.6
201.05359	0.7
203.03458	0.7
204.06448	0.6
205.05038	1.1
206.05801	0.8
213.05414	1.0
215.07071	1.3
217.04970	0.9
219.06650	0.5
225.05530	1.1
226.06099	0.6
227.03397	0.9
228.04153	2.5
229.04947	1.3
231.02896	1.9
240.04247	0.9
241.04955	1.9
243.02763	0.8
243.06485	3.1
245.04382	1.2
246.05157	2.7
253.04893	2.8
255.06488	1.9
256.03720	1.5
257.04480	1.5
258.05264	0.9
259.02332	1.2
268.03638	1.6
269.04480	2.1
269.08124	1.1
270.01477	0.6
270.05255	2.0
271.03040	0.4
271.05988	10.3
273.03925	0.8
274.04636	4.3
277.03421	0.8
283.02399	1.4
283.06046	4.5
284.03574	0.6
284.06744	2.0
285.04013	1.8
285.07492	10.3
286.04718	1.5
286.07709	0.5
287.05450	0.6
292.05859	1.1
297.03992	1.6
298.04703	1.5
299.05460	6.6
300.05936	1.2
301.03448	2.5
301.07111	3.3
311.05460	1.0
312.06287	2.0
313.03433	4.2
313.07108	2.2
314.04218	1.1
315.05038	1.2
315.08676	1.0
316.05756	5.2
316.09323	0.6
325.07010	0.8
327.04929	0.8
328.05841	1.4
329.02905	2.5
329.06586	7.4
331.08054	18.0
343.08118	2.0
344.08914	1.9
345.09641	4.3
347.49228	0.5
359.07529	3.0
421.05682	1.8
460.11716	0.6
514.28815	0.6
597.10156	1.9
611.11755	1.1
611.24976	1.2
613.10248	0.7
643.14355	100.0
644.14777	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01852	0.5
55.05501	0.4
57.03429	0.4
65.03916	0.3
67.05489	1.1
68.99792	0.8
69.03403	0.7
70.04877	0.6
70.05285	1.5
76.49754	0.3
79.05489	0.7
79.79185	0.3
81.03398	0.6
81.07043	0.9
85.02897	0.5
91.05474	1.1
93.07035	0.9
94.08461	0.3
95.04964	0.6
95.08593	0.7
97.02934	0.8
97.06503	0.7
105.03407	0.7
105.07040	0.7
107.04971	1.1
107.08566	0.4
109.06487	0.5
109.10168	0.6
117.03397	0.4
119.04959	0.6
119.08562	0.6
121.02854	0.5
121.06451	0.8
121.10091	0.4
123.04456	0.8
127.03909	0.6
131.08583	0.5
133.02866	0.5
135.04417	1.1
137.05980	0.9
142.07663	0.3
145.02855	0.5
145.06429	0.6
145.10114	0.4
147.04384	1.0
148.05194	0.7
149.02419	0.4
149.06049	0.7
151.03938	1.1
151.07568	0.7
153.01863	1.3
153.05418	0.4
153.58247	0.3
161.05963	0.6
162.02997	0.4
163.03937	2.7
163.05087	0.5
165.01796	0.6
165.05377	0.8
165.09268	0.3
167.07013	1.9
172.03970	0.5
173.05940	0.5
176.04697	0.4
177.01878	1.1
177.05409	2.4
178.06189	2.3
179.07082	1.1
181.04964	1.1
183.02975	0.5
185.05971	0.6
187.03809	0.5
190.04967	0.4
191.03404	0.8
191.07008	3.0
192.07684	0.4
193.04979	0.4
194.09326	0.4
195.06599	1.5
197.05865	0.4
199.03949	0.6
203.03546	0.4
204.06453	0.6
205.04948	0.9
205.12177	0.4
213.05574	1.3
215.03456	0.4
219.02946	1.2
227.07004	0.4
229.04826	1.7
231.03015	0.4
239.03416	0.6
240.04095	0.4
241.04968	3.1
243.02824	0.6
253.05101	0.5
255.02872	0.5
257.04453	1.0
258.01727	0.4
261.04004	0.8
263.11603	0.4
268.03610	1.1
269.04489	2.6
269.08096	0.6
272.06699	0.6
281.04459	0.5
282.05292	0.6
283.02417	0.6
283.05972	0.8
283.10846	0.4
284.03604	0.5
284.06830	2.1
285.03995	0.9
285.07541	0.7
286.04675	1.7
295.06073	0.6
297.03821	0.8
299.05460	0.7
300.06131	2.2
301.07022	6.0
306.05246	0.4
307.11099	0.4
311.05573	0.5
312.06238	14.1
313.03488	0.7
313.06906	0.9
315.05164	0.7
315.08685	1.1
323.05124	0.3
323.09866	0.4
325.07242	0.6
328.05716	0.8
343.04578	0.5
343.07996	1.8
344.09015	1.1
345.09619	0.9
347.05710	0.5
351.05008	0.7
353.06451	0.4
356.14032	0.5
357.14450	0.7
367.13309	0.4
377.06723	0.6
379.04340	1.7
393.06042	0.6
393.88596	0.4
398.15210	0.4
402.03726	0.5
403.04568	1.2
407.03418	0.7
418.06683	2.2
419.03543	0.5
421.05173	2.2
430.03162	0.4
435.07645	0.6
436.08014	1.5
437.08676	1.3
445.05521	1.1
447.03607	1.0
450.09348	1.0
451.10019	1.3
455.07602	0.4
458.16940	0.6
463.06589	1.9
477.07956	2.5
478.08041	0.4
490.19864	0.4
495.07660	0.5
507.06766	0.5
520.20856	0.8
522.22504	0.6
527.09570	0.7
539.09692	0.4
541.12054	0.4
543.09137	0.7
552.07037	1.1
567.09308	1.3
569.10748	0.6
569.23645	0.5
573.13330	0.6
577.21143	0.4
580.06335	4.3
595.08673	14.3
596.09174	1.0
597.10168	1.4
610.11304	1.6
611.24426	1.7
613.09473	0.5
615.14777	1.2
625.13214	1.0
628.11664	0.5
643.14392	100.0
644.14740	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	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01862	30.4
55.05502	68.5
56.91588	1.5
57.03434	10.3
57.07066	4.2
59.04998	1.9
65.03924	5.2
67.05494	100.0
69.03417	10.8
69.07054	56.4
69.35844	17.5
71.04987	9.4
71.08621	2.8
77.15234	1.6
79.05479	77.7
81.03410	9.9
81.07042	95.3
82.07352	2.0
83.04953	10.9
83.08605	32.3
85.06522	4.0
91.05463	67.7
93.07030	70.1
94.07350	2.1
95.04963	16.8
95.08590	56.5
97.02872	2.8
97.06506	26.7
97.09572	2.9
97.10155	36.1
99.08085	3.2
101.52277	1.5
103.05438	3.4
105.04498	1.9
105.07014	68.9
105.07728	3.5
107.04939	14.2
107.08572	53.7
109.06497	10.6
109.10136	36.4
111.04403	1.6
111.08059	8.3
115.05431	3.2
117.07004	31.0
119.08560	57.6
120.08873	2.0
121.06478	6.9
121.10131	23.2
123.08038	6.4
123.11706	10.2
125.09608	33.3
128.06210	7.6
129.05522	1.7
129.06990	20.0
131.08545	49.5
133.06517	3.7
133.10106	39.8
135.08009	12.7
135.11661	19.3
137.09604	5.9
137.13277	2.2
139.11130	3.3
141.06970	8.5
142.07750	5.0
143.08537	25.7
144.09134	1.9
145.06485	2.2
145.10101	39.8
147.07994	4.7
147.11658	32.0
149.09598	12.8
149.13225	9.3
151.11168	4.7
153.09085	4.2
154.07730	2.4
155.08525	11.4
156.09189	2.2
157.10094	18.7
159.08076	4.8
159.11679	29.4
161.09579	5.6
161.13237	19.8
163.11162	8.6
163.14819	4.5
165.09108	2.4
165.12775	2.4
166.07613	2.1
167.08548	6.9
169.10118	19.0
170.10722	2.1
171.10280	1.9
171.11662	19.3
173.09634	4.7
173.11826	3.0
173.13196	18.0
175.11189	4.7
175.14819	9.8
177.12744	3.4
179.08534	3.5
179.14369	3.2
181.10063	8.1
181.12210	2.3
182.10698	1.7
183.11667	15.0
184.12312	2.6
185.09674	2.2
185.13196	14.8
187.11209	3.9
187.13222	2.6
187.14709	7.8
189.11192	19.7
189.12674	3.3
189.16327	2.1
193.10136	2.8
195.11665	9.4
195.13304	1.7
197.13249	13.0
199.14784	11.6
201.12865	1.7
201.16400	4.2
203.14284	3.8
207.11691	4.5
209.13283	5.2
211.11093	1.9
211.14816	7.7
213.16344	6.2
215.14417	2.4
215.17966	3.9
219.17426	2.7
221.13235	5.1
223.13255	6.4
223.15092	2.6
225.16350	5.2
227.12718	26.2
229.19617	3.0
231.21066	3.0
235.14798	2.4
237.16307	4.3
239.17941	4.9
241.19447	16.0
245.13799	3.1
247.20667	2.3
249.14699	2.6
251.17773	1.6
253.19548	2.0
257.19009	9.6
259.20554	23.1
263.10504	1.8
269.19006	1.9
273.18463	10.3
275.20047	30.6
276.15683	2.0
277.21713	3.6
283.20413	2.4
285.22034	6.7
287.19968	1.8
289.18280	2.9
289.21591	5.6
291.19479	50.0
292.19693	3.0
299.20261	2.1
299.23602	3.7
301.21677	1.9
307.22620	1.8
315.23218	3.1
333.24136	19.1
335.25864	10.3
349.23709	9.1
353.28183	2.1
357.24179	2.0
363.26080	3.3
365.23169	17.0
377.28217	2.3
379.30051	6.5
381.27838	3.3
397.31036	6.1
419.29337	2.4
495.23553	2.7
511.33997	3.9
513.36945	3.0
525.35834	9.5
529.34985	10.8
531.37836	6.0
541.35242	2.7
543.36707	6.1
549.39380	3.9
563.23993	2.6
567.39825	2.0
581.27435	11.5
605.41675	10.5
606.42834	2.5
623.26843	3.4
623.42938	66.0
624.43091	5.6
641.29156	16.1
641.43951	33.5
642.44153	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	641.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.9
53.03942	9.7
53.76115	2.0
55.01866	11.3
55.05503	46.5
57.03421	13.3
57.07058	6.9
64.15353	2.0
65.03919	6.0
67.05141	4.7
67.05495	95.3
68.99780	6.3
69.03417	6.7
69.07059	34.4
69.37882	6.8
69.38303	15.1
71.04979	8.7
71.08621	2.0
79.05481	73.0
81.03395	8.4
81.07047	100.0
82.07385	2.3
83.04964	16.0
83.08611	22.6
85.06519	7.5
86.09687	3.1
91.05469	87.5
93.07031	75.8
95.04945	27.9
95.08010	3.6
95.08597	62.3
96.08938	2.1
97.06511	17.8
97.10170	10.9
99.08047	5.7
100.11253	13.8
101.11590	3.8
103.05453	4.8
105.04471	3.4
105.06335	4.6
105.07016	80.5
105.07727	4.4
107.04962	14.7
107.08578	50.9
109.06508	14.3
109.10142	42.0
110.34909	2.0
111.04397	2.0
111.08075	10.9
113.05971	9.3
113.09587	2.1
115.05453	5.9
117.06993	32.4
119.07730	3.7
119.08566	57.9
121.06481	8.8
121.10125	26.6
123.04401	2.3
123.08072	10.8
123.11688	5.8
125.05954	3.0
125.09619	5.2
128.06186	8.3
129.05498	2.5
129.06990	23.1
130.07716	4.0
131.08549	46.8
132.08849	2.7
133.06445	9.4
133.10110	51.6
135.08035	9.5
135.11673	20.0
137.05928	4.1
137.09589	6.4
139.07533	8.2
141.06967	8.3
142.07724	6.4
143.08549	33.4
144.09100	2.3
145.06479	4.5
145.10104	48.8
147.07979	10.4
147.11665	30.2
149.09624	9.6
149.13235	10.0
151.11177	11.3
154.07623	2.1
155.08510	17.0
156.09279	3.1
156.88538	2.2
157.10117	29.0
159.08058	9.5
159.11653	31.1
161.09596	10.1
161.13235	16.1
163.11229	5.2
165.07001	4.8
167.08537	6.7
168.09335	3.1
169.10118	16.7
169.12260	3.1
171.08150	2.5
171.11639	24.7
173.09702	3.1
173.13240	21.9
175.11154	7.9
175.14809	8.4
177.12733	3.4
179.08475	3.7
181.10071	10.1
182.10692	2.1
183.08075	2.9
183.11694	18.0
185.09564	5.5
185.13242	20.9
187.11195	6.2
187.14825	11.5
189.12686	5.1
189.16293	3.8
191.10863	2.4
193.10098	4.6
195.11650	11.6
195.13689	3.5
197.13295	13.5
199.11244	5.1
199.13141	2.7
199.14771	11.7
201.12723	3.8
201.16437	5.0
203.14267	3.5
205.12112	2.5
207.11623	4.8
209.13254	8.0
211.11200	2.7
211.14801	6.8
213.16420	4.4
213.20439	2.3
215.14410	3.4
215.17873	2.9
217.15906	3.3
221.13297	4.8
223.14876	5.5
225.12892	2.8
225.16400	5.9
227.17859	4.6
233.15289	4.6
235.14757	3.3
237.16333	2.5
239.17967	5.3
241.19490	11.4
245.19023	2.8
249.16248	2.4
250.92731	2.4
253.14220	15.4
257.18997	3.6
259.20544	21.1
263.20142	4.5
265.19492	3.4
269.18991	2.7
269.22583	2.4
271.16910	2.8
273.18475	15.6
275.20001	6.3
276.11554	2.3
277.21616	3.0
283.20462	3.0
285.22089	2.8
287.19974	3.2
289.17810	12.2
291.19632	17.8
297.21964	2.6
307.18967	2.4
311.23462	3.8
315.23120	4.9
333.24197	20.2
335.25772	6.0
341.24741	2.5
347.22241	2.1
349.24167	2.7
353.28345	2.4
365.23254	17.7
395.29422	3.3
409.30930	12.3
419.29117	2.7
427.31989	2.9
437.30072	2.1
451.32111	2.6
455.31339	3.1
469.33160	3.6
483.34509	6.9
485.36639	2.3
487.34177	22.9
501.35547	29.6
503.37662	5.8
511.34180	7.3
513.36700	5.8
521.39606	2.4
525.35779	6.1
529.35272	7.8
531.38257	11.1
543.36713	4.1
549.39075	11.7
567.40100	6.6
595.42621	6.4
605.41943	13.8
613.43695	6.9
623.32959	3.9
623.42938	60.0
624.43225	2.9
641.44183	39.5
642.44531	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	641.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01866	20.5
55.05502	77.5
56.05828	1.6
57.03428	16.4
57.07060	5.1
59.04998	4.1
62.55445	1.8
65.03928	6.4
67.05494	100.0
69.03420	14.4
69.07059	55.2
69.98071	1.7
71.04974	8.3
71.08611	2.1
73.06554	2.7
75.45464	1.6
78.37061	2.1
79.05482	90.4
81.03399	9.0
81.07043	97.1
83.04956	14.4
83.08604	38.6
85.06522	5.5
89.06017	2.3
91.05466	84.7
92.05816	2.0
93.07027	84.9
95.04939	18.8
95.08591	62.8
97.02883	6.2
97.06521	18.1
97.10154	47.7
98.10497	1.8
98.20695	4.8
99.08067	2.8
104.06213	2.2
105.04549	2.1
105.07013	85.4
105.07726	4.2
106.07351	2.9
107.04936	12.8
107.08577	61.7
109.06504	9.8
109.10130	34.7
111.08070	9.8
115.05449	5.5
116.06214	3.1
117.07005	40.5
118.07408	1.7
119.08562	80.3
121.06519	7.6
121.10126	27.8
123.08076	10.1
123.11681	11.3
125.09619	36.0
128.06171	8.5
129.05515	2.0
129.06982	30.0
130.07765	2.6
131.08542	53.3
133.06473	5.4
133.10115	53.4
135.08046	11.1
135.11665	20.2
137.09563	9.5
139.11133	2.6
141.06934	12.0
142.07753	7.0
143.08553	28.3
144.09233	2.4
145.06435	2.2
145.10104	48.4
147.08052	6.2
147.11670	43.5
149.09624	8.9
149.13245	11.4
151.11128	2.6
153.06989	3.1
153.09114	2.7
154.07793	3.7
155.08522	20.9
156.09276	2.9
157.10101	27.5
159.08051	4.5
159.11678	30.5
161.09651	6.7
161.13226	28.0
163.11180	7.3
163.14851	3.3
165.06956	2.7
167.08501	8.1
168.09325	3.3
169.10106	21.4
171.08127	2.1
171.10193	3.6
171.11627	27.3
173.09607	4.0
173.11816	2.8
173.13203	21.9
175.11137	4.8
175.14812	12.9
177.12737	4.7
179.08571	5.6
181.10133	13.0
182.10843	2.4
183.11673	20.7
185.13216	17.0
187.11151	4.3
187.13373	2.8
187.14778	11.1
189.11215	20.6
189.12788	4.4
189.16447	2.9
193.10109	4.6
195.11612	13.1
197.13203	15.9
199.11143	1.9
199.14828	13.7
201.12779	3.8
201.16377	4.7
203.14223	1.9
207.11705	7.9
207.13698	2.4
209.13171	9.7
211.11174	2.0
211.14890	10.2
213.12801	1.9
213.16420	8.0
215.17899	3.8
217.19455	2.7
219.11861	2.4
221.13283	5.5
223.13042	13.9
223.14940	5.6
225.16403	7.8
227.12729	28.3
227.17986	2.2
229.15968	2.4
231.17422	2.4
231.21082	5.9
233.13203	2.3
233.15399	1.8
235.14731	4.7
235.16968	1.9
237.16426	6.0
239.17921	5.5
241.16020	1.9
241.19490	25.5
243.15919	2.7
243.21034	2.3
245.13872	3.9
245.19005	2.1
249.16481	3.5
251.18048	3.9
253.19522	3.8
255.17506	2.2
257.19034	7.3
259.20529	50.3
260.21054	3.2
263.17905	2.2
267.20984	4.2
271.17175	2.0
271.20499	2.5
273.18463	13.7
275.20139	17.5
277.21640	3.3
279.20850	2.2
283.20572	3.0
285.22107	7.8
289.17978	5.7
289.21249	1.8
291.19489	78.5
292.19846	3.0
295.20526	2.4
297.22070	3.1
299.23679	2.5
301.25070	2.1
315.23138	6.2
323.23792	2.6
327.23016	2.2
331.22672	2.1
333.24185	38.6
335.25833	3.5
337.25055	2.1
341.24780	2.1
349.23639	3.8
363.22076	2.3
363.26569	8.5
365.23157	29.2
369.27795	1.9
379.25781	2.2
379.30209	8.2
381.27899	6.6
393.26804	2.8
397.30905	5.5
419.29272	2.8
437.30374	4.3
451.31659	2.5
455.31815	2.9
505.36069	1.9
511.34113	8.0
513.36377	5.7
525.35516	3.5
527.36896	2.3
529.34985	9.2
531.38092	7.4
543.36621	2.7
549.38965	8.0
567.39740	4.3
595.43317	4.1
605.41974	18.7
623.42975	93.3
624.43384	8.6
641.44025	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	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81618	4.2
53.03939	10.8
55.01865	13.2
55.05507	41.8
57.03437	44.1
57.07063	8.3
58.81454	4.3
62.74937	5.0
65.03927	7.2
67.05495	100.0
69.07054	34.8
74.41566	4.4
79.05480	76.9
81.07043	94.0
83.04972	32.0
83.08608	16.2
83.17416	4.4
85.06541	8.7
91.05467	78.3
93.07026	79.0
95.04951	18.2
95.08593	71.8
97.06525	13.1
97.10138	12.5
98.21397	12.5
98.62236	5.0
99.04418	5.3
105.07010	62.6
107.04955	37.3
107.08590	43.9
109.06503	21.6
109.10140	32.1
111.04462	14.2
111.08077	8.7
113.06001	9.1
115.05432	4.9
117.07001	21.0
119.08578	40.7
121.06531	12.1
121.10142	29.0
123.08091	9.0
125.06015	5.1
128.06212	8.3
129.06976	16.2
131.08511	32.0
133.06473	8.2
133.10092	34.6
135.08051	15.2
135.11653	15.7
137.09644	11.6
141.06969	6.7
143.08557	20.0
144.05580	5.6
145.06488	12.5
145.10106	31.9
145.11087	5.2
147.08023	13.6
147.11688	17.7
149.09584	7.0
149.13239	9.2
151.07388	4.8
155.08536	10.7
157.10095	18.6
159.08058	12.7
159.11676	20.2
161.09584	13.0
161.13228	11.6
163.11168	11.4
167.08485	8.1
169.10089	17.4
171.11693	11.2
172.00711	4.7
173.09666	7.5
173.13249	15.0
175.11182	6.0
175.14842	8.8
177.12671	8.5
179.14253	6.3
183.11661	7.1
185.09485	7.0
185.13205	7.6
187.14799	9.2
197.13255	9.9
200.25702	4.8
205.15746	7.7
212.02223	4.9
215.14154	6.0
229.42810	5.9
233.15347	12.5
259.20425	6.2
261.18503	11.0
271.16962	22.9
275.63937	5.0
277.21762	6.9
279.15762	5.6
289.17975	51.8
291.19498	16.6
331.21573	5.6
333.24063	6.5
335.25693	74.1
363.21707	21.4
421.11774	5.0
439.06702	4.9
524.15430	5.4
529.39056	5.9
567.40009	10.0
580.04846	5.6
605.42035	6.8
623.43024	95.8
624.42609	10.9
641.44293	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03934	3.9
55.01863	5.4
55.05505	12.1
57.03427	25.3
57.07060	2.1
61.17146	0.7
65.03923	3.1
67.05495	41.5
68.75697	0.7
69.03427	2.1
69.07056	10.4
71.04974	3.4
79.05479	23.4
81.03410	3.9
81.07044	32.2
83.04979	3.6
83.08607	5.1
85.06033	1.5
85.06528	22.0
91.05465	28.7
93.07029	25.5
95.01299	0.8
95.04952	35.0
95.08593	21.0
97.06515	6.1
97.10132	2.3
98.08311	0.8
98.20692	1.7
99.08083	2.2
103.05438	1.7
105.07013	27.7
107.04935	8.1
107.08573	13.4
109.05753	1.3
109.06499	23.9
109.10129	6.5
111.08058	1.7
111.11628	0.8
113.05988	100.0
115.05405	1.8
117.07000	14.8
118.40009	0.7
119.04988	1.0
119.08559	21.8
119.09413	1.1
121.06487	4.4
121.10119	9.9
123.08025	5.6
125.09654	1.8
128.06184	2.3
129.06976	8.9
130.07790	1.4
131.08545	22.3
133.06459	1.9
133.10103	13.1
135.08037	15.9
135.09050	0.9
135.11667	7.1
137.09624	1.9
141.06973	4.0
141.09143	2.1
142.07733	2.1
143.08545	8.8
145.06520	2.5
145.08966	1.5
145.10088	14.8
147.08020	3.7
147.11642	9.1
147.44995	0.8
149.09601	3.6
149.13246	4.1
149.14310	0.7
151.11209	0.9
154.07837	1.3
155.08499	5.0
157.10098	9.4
159.08040	1.6
159.11662	13.0
161.09625	4.0
161.13203	6.8
163.11166	2.8
167.08539	1.6
169.10104	6.2
171.11681	9.0
173.09627	1.3
173.13252	8.1
175.11195	2.2
175.14786	4.0
177.12747	2.6
178.07794	0.7
179.08623	1.8
181.10059	4.3
183.11647	6.6
185.09621	1.2
185.11687	1.3
185.13164	5.1
187.11165	3.2
187.14867	3.4
189.12721	2.0
189.16382	1.0
191.14383	0.9
193.10181	1.3
195.11717	3.7
195.13693	1.2
197.13252	4.5
199.11250	1.1
199.14777	4.8
201.12773	0.9
201.16431	2.2
203.14290	1.4
205.12080	1.0
207.11768	1.4
209.13286	2.8
211.11197	0.8
211.14783	2.4
213.16397	2.1
215.17950	1.6
216.71468	0.9
217.15881	6.4
219.11726	1.5
221.13284	1.0
223.14845	2.0
225.16481	1.7
227.18007	1.3
229.19525	0.8
229.36276	0.9
231.21103	1.6
235.14761	1.4
237.16418	1.5
239.17957	1.6
241.14314	1.6
241.19437	6.0
245.18968	1.4
247.17143	0.8
249.16446	0.9
251.18027	1.4
253.15921	0.8
255.17480	1.3
257.18887	3.8
259.20544	9.7
273.18433	10.3
275.20038	2.9
279.15829	7.1
285.22009	1.0
289.17834	1.2
291.19482	26.1
292.19809	1.1
311.23840	0.9
313.21570	0.9
315.23257	2.1
325.25320	1.2
327.26825	2.6
333.24249	11.3
347.22409	1.7
349.24033	1.1
365.23099	5.2
371.25607	1.0
381.27707	0.8
421.31125	1.1
435.32541	1.5
437.34167	3.2
448.01294	0.9
456.73587	0.8
459.32159	1.0
495.35190	1.3
501.36246	1.1
511.37775	3.0
513.36108	4.9
527.36530	1.8
529.39075	2.0
531.38110	4.5
549.39880	3.9
551.37109	1.9
565.09558	0.9
565.38910	0.9
567.40259	2.4
569.38452	2.5
605.42096	6.7
623.42963	33.0
624.43304	1.3
641.43958	17.1
642.44275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
54.74113	0.7
55.01866	6.9
55.05502	13.4
57.03429	25.5
57.07066	1.9
65.03924	2.6
67.05495	45.8
68.05817	1.0
69.03403	1.4
69.07057	11.6
71.04985	5.0
71.08618	0.9
72.11345	0.8
77.03933	1.3
79.05479	27.9
81.03409	4.7
81.07044	34.5
83.04967	3.7
83.08602	6.3
85.06532	24.9
89.82751	0.7
90.22943	0.7
91.05466	32.2
93.07030	27.3
94.07379	0.9
95.04955	36.1
95.08590	19.6
95.09199	0.9
96.05300	1.0
97.06510	6.1
97.10159	3.6
98.21452	2.4
99.08073	2.8
103.05445	1.8
105.04603	0.7
105.07018	30.7
107.04924	7.8
107.08578	15.3
107.09254	1.3
109.06502	22.5
109.07217	1.4
109.10139	7.1
110.06810	1.1
111.08068	2.5
113.05991	100.0
115.05422	2.8
117.06999	15.2
119.08562	19.6
121.06451	4.4
121.10119	9.3
123.04397	1.2
123.08047	5.7
123.11706	2.3
125.09595	3.2
128.06201	3.3
129.07007	10.0
130.07785	2.2
131.08554	21.7
133.06502	2.4
133.10110	15.1
135.08043	15.0
135.11668	8.0
137.05936	1.0
137.09612	1.5
141.06927	3.7
141.09097	2.0
142.07771	2.6
143.08528	12.5
145.06403	1.7
145.10100	19.4
147.08032	3.0
147.11690	11.1
149.09596	4.7
149.13249	3.6
153.06879	0.8
153.09113	0.8
155.02599	0.8
155.08527	5.7
157.10094	9.4
159.08089	1.9
159.11659	12.1
161.09650	4.4
161.10767	0.8
161.13234	7.7
163.11166	3.0
163.14804	1.3
165.12814	1.2
167.08562	2.2
168.14888	0.9
169.10123	7.3
171.08104	1.1
171.11668	9.4
173.09612	1.4
173.13239	8.0
175.11165	1.7
175.14861	3.9
177.12767	3.7
179.08478	1.0
179.14291	1.4
181.10078	4.3
182.10858	0.8
183.07961	0.8
183.11647	6.0
185.13213	6.3
187.11166	2.3
187.14824	2.5
189.12758	1.0
193.10120	1.0
195.11671	4.4
195.13545	1.8
197.13205	5.5
199.11134	2.4
199.14789	5.0
201.12627	1.2
201.16376	2.0
205.10184	1.4
207.11682	1.7
207.13676	1.1
209.13293	2.7
211.14844	2.2
213.16367	2.4
217.15884	5.4
221.13271	2.6
223.14865	2.2
225.16444	1.8
227.17931	1.4
229.19565	1.1
231.21011	1.4
235.14806	1.7
237.16371	2.1
239.17966	2.0
241.19496	8.3
245.19054	1.0
247.16988	1.1
255.17484	1.9
257.18997	3.7
259.20529	8.5
269.12695	1.2
273.18546	12.5
275.20062	7.7
277.21765	0.9
279.15845	7.1
285.22031	0.8
289.17917	1.0
291.19501	26.0
292.19781	1.9
293.21063	1.5
297.17004	1.1
301.21869	1.0
311.23593	1.1
315.23099	2.4
327.26730	1.9
333.24188	10.0
339.09717	1.6
347.22244	3.2
349.23648	2.8
353.24783	1.0
365.23141	7.9
367.09552	1.0
385.10434	1.8
387.25815	1.0
418.18115	1.2
419.18570	2.2
425.30536	0.9
430.20993	1.4
432.19083	1.2
433.20258	1.8
434.20856	2.1
435.22031	1.5
435.32144	1.2
437.34302	2.4
451.20642	0.8
459.31943	1.4
461.19360	4.8
462.20172	3.3
465.18985	1.0
476.22147	1.2
477.22723	1.8
494.22772	1.9
495.23874	1.8
495.34872	1.9
501.35599	1.3
511.37646	2.4
513.36230	5.8
521.21362	1.0
529.38574	3.2
531.38409	4.7
548.24078	1.8
549.24884	0.9
549.39191	4.8
551.37390	1.9
563.26239	2.8
565.39001	1.3
567.40546	2.2
569.38263	4.0
581.27460	6.4
595.43317	1.6
605.41815	5.9
608.27051	1.5
623.42944	37.0
635.42450	0.9
641.29309	57.1
641.43640	18.3
642.29742	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	641.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23545	0.3
55.01849	0.6
55.05506	1.8
57.03424	0.7
57.07048	0.4
60.63195	0.3
67.05494	4.3
69.07057	1.9
70.85512	0.9
71.04985	0.4
79.05491	3.2
81.03440	0.3
81.07048	4.4
83.04949	0.3
83.08624	0.9
85.06538	0.3
91.05460	3.0
93.07036	3.0
95.04973	1.0
95.08598	2.2
96.24940	0.3
97.06529	1.0
97.10185	0.5
105.07023	3.3
107.04944	0.9
107.08578	2.5
109.06525	1.2
109.10159	1.3
113.06005	0.3
117.06973	1.5
119.08559	2.2
121.06488	0.5
121.10145	1.1
123.08051	0.5
123.11742	0.5
125.09587	0.3
128.06227	0.4
129.07011	1.2
131.08548	1.3
133.10117	2.3
135.08113	0.5
135.11687	0.7
135.78137	0.3
139.07176	0.3
141.07007	0.3
143.08556	0.9
145.10118	1.8
147.08070	0.3
147.11702	0.9
149.09650	0.6
151.11195	0.3
155.08531	0.6
157.10147	1.0
159.11699	1.1
161.09622	0.4
161.13191	0.4
163.11234	0.3
167.08353	0.3
169.10133	0.6
171.11685	0.7
173.11784	0.3
173.13295	0.8
179.14278	0.5
183.11699	0.7
185.13232	0.6
187.14828	0.6
195.11673	0.4
197.13399	0.4
199.14822	0.6
223.14948	0.4
239.18188	0.4
247.20474	0.3
257.18991	0.4
273.18457	0.4
275.20035	2.6
291.19861	0.4
310.13446	0.3
331.22604	0.3
345.09323	0.4
349.23770	0.9
377.17676	0.8
378.18552	0.6
379.19186	0.9
389.17590	0.3
390.18118	0.4
391.19299	1.8
392.20099	0.8
393.20859	1.9
394.21497	0.5
405.16394	1.4
405.21567	0.6
406.17673	0.8
406.22244	0.6
407.22592	4.7
408.23270	0.6
418.17776	1.0
419.18344	3.2
419.23630	0.5
420.18936	1.5
421.20172	5.1
423.21890	0.5
433.14798	0.4
433.20444	4.3
434.16531	0.3
434.21097	4.2
435.21930	8.0
436.22888	1.5
447.17197	0.6
447.22000	1.2
448.18433	0.8
449.19482	9.1
450.19910	0.6
461.19016	0.5
461.24020	0.5
462.19971	2.0
463.20981	3.8
464.22568	1.6
467.24506	0.9
475.21149	0.9
476.22290	0.5
477.23264	1.4
479.20285	0.5
479.25500	0.6
481.22339	0.8
489.23172	0.7
491.24759	0.4
493.22556	1.8
494.23120	3.1
495.23904	3.6
507.24237	5.9
508.24536	0.9
509.25412	0.9
520.24683	0.4
521.25763	6.1
523.27142	0.5
531.38287	0.6
535.23267	6.9
539.22266	0.6
549.24762	1.6
549.39569	0.3
550.26141	0.5
551.27026	0.4
553.25372	1.0
563.25757	0.9
566.25122	0.4
567.26105	1.5
567.40320	0.5
581.27539	27.8
582.27905	1.7
595.25287	5.2
605.41632	0.5
609.26819	1.4
610.28149	0.4
623.27496	0.9
623.42950	2.0
641.29633	100.0
642.29913	4.0
654.24115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03936	0.3
55.01868	0.9
55.05502	1.3
57.03420	0.4
65.03923	0.3
66.96969	0.1
67.05494	2.0
69.03427	0.2
69.07056	1.0
71.04980	0.2
71.63842	0.2
76.62704	0.2
79.05482	2.5
81.03420	0.2
81.07053	1.8
83.04958	0.3
83.08607	0.7
87.00937	0.1
91.05472	1.9
93.07031	1.9
95.04971	0.6
95.08589	1.0
97.06522	0.6
97.10167	0.6
99.08102	0.1
105.07002	2.1
107.04933	0.7
107.08579	2.0
109.06537	0.6
109.10123	0.8
111.08078	0.2
115.05467	0.2
115.48243	0.1
117.06995	0.8
119.08553	1.4
119.36343	0.1
121.06493	0.2
121.10143	0.6
121.81485	0.1
123.11713	0.2
125.09602	0.5
128.06223	0.3
129.06984	0.4
131.08534	1.0
133.06509	0.2
133.10098	1.1
135.08028	0.3
135.11681	0.3
143.08572	0.6
145.10101	0.9
147.11687	0.7
149.09541	0.7
151.11157	0.3
155.08582	0.2
157.10129	0.5
159.11703	0.6
161.13318	0.4
163.11118	0.3
169.10172	0.2
171.11662	0.3
173.13245	0.4
175.11093	0.2
179.14313	0.2
183.11688	0.4
185.13403	0.2
189.11205	0.3
196.09862	0.2
197.10818	0.2
197.13170	0.3
199.14952	0.2
213.16148	0.2
227.12831	0.5
239.17874	0.2
247.08800	0.2
247.20787	0.2
257.19052	0.5
264.74084	0.2
274.13412	0.2
275.20001	3.2
286.13278	0.2
291.19455	0.2
293.21213	0.2
314.12918	0.3
327.64740	0.2
328.14651	0.2
329.15277	0.2
345.44318	0.2
349.23657	1.6
363.16132	0.3
377.17538	0.7
378.18347	0.5
379.19128	1.0
380.20020	0.3
389.17609	0.2
390.18369	0.4
391.15292	0.5
391.19592	1.2
392.20355	1.0
393.20926	2.7
394.21320	0.4
395.22314	0.4
403.19107	0.2
404.15723	0.3
404.20441	0.3
405.16574	2.7
406.17188	1.4
406.21750	0.5
407.18314	1.1
407.22803	3.9
408.23605	0.9
409.24097	0.3
418.17477	0.8
419.18332	3.7
420.19211	2.3
421.20157	4.9
422.20648	0.6
423.21887	1.2
432.19452	0.3
433.20337	4.7
434.21252	3.9
435.21899	7.4
436.22690	1.5
437.23572	0.3
445.20514	0.3
447.22485	1.8
448.18326	0.5
448.23032	0.5
449.19522	9.0
450.20279	0.6
451.21432	0.3
453.22769	0.4
461.18726	0.3
461.24033	0.5
462.19986	0.8
463.21011	3.0
464.21979	1.7
465.19345	0.7
466.24036	0.4
467.24542	0.9
468.25134	0.2
475.21353	0.4
476.22098	0.5
477.22913	1.0
479.19803	1.0
479.25635	0.3
480.21454	0.6
481.21951	1.9
489.22852	0.3
491.24258	0.4
492.21036	0.2
493.21951	2.9
494.22943	3.5
495.23651	3.9
505.22104	0.3
506.23184	0.3
507.24036	1.9
508.24686	0.3
509.25583	0.3
521.25659	9.3
522.25739	1.1
523.27319	0.9
526.25763	0.3
535.22925	0.8
539.22437	1.7
549.24945	1.0
550.25574	0.3
551.26465	0.3
552.23572	0.2
553.24945	0.7
563.26855	1.0
567.25824	0.4
581.27533	19.1
582.27838	1.5
595.26117	0.3
605.41602	0.4
609.27069	0.7
610.27264	0.3
613.29816	0.5
623.28076	0.3
623.43042	1.4
641.29565	100.0
642.29901	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	641.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01874	1.6
55.05502	3.1
57.03422	1.0
65.03934	0.5
67.05495	7.3
67.56178	0.3
69.07055	2.3
69.85289	1.9
71.04987	0.6
79.05481	5.6
81.03423	0.9
81.07048	6.8
83.04968	0.8
83.08601	1.3
85.06512	0.6
87.45039	0.3
91.04937	0.4
91.05480	5.5
93.07030	4.9
95.01315	0.5
95.04965	2.0
95.08591	3.4
96.60667	0.3
97.06509	2.8
97.10161	1.0
99.08073	0.5
105.07027	5.1
107.04945	1.6
107.08582	3.8
109.06504	1.4
109.10144	1.9
111.08071	0.4
113.05991	1.1
115.05440	0.5
117.07036	2.1
119.08560	3.8
121.06528	0.6
121.10139	1.4
123.04484	0.3
123.08018	0.5
123.11721	0.6
125.09626	0.6
128.06175	0.4
129.07019	1.1
131.08534	3.3
133.10092	2.6
135.08064	1.2
135.11668	1.1
137.05878	0.3
137.09576	0.4
141.06973	0.5
142.07858	0.4
143.08572	0.8
145.10106	2.4
147.11674	2.2
147.52486	0.3
149.09579	1.8
149.13272	0.5
155.08543	0.7
157.10104	0.8
159.11659	1.7
161.09598	0.4
161.13167	0.5
163.11198	0.9
165.12854	0.3
167.07114	0.4
169.10136	0.6
170.73283	0.3
171.11736	1.1
173.13249	0.7
175.11203	0.4
177.12721	0.4
179.14314	0.6
183.11719	0.8
185.13316	0.4
189.11230	0.8
197.13148	0.5
199.14795	0.4
210.11497	0.3
215.17911	0.4
225.10269	0.5
227.12694	0.4
239.11855	0.5
239.18033	0.3
247.20616	0.5
248.68567	0.3
249.10248	0.5
251.12070	0.4
257.19049	1.3
273.18481	0.5
275.20056	7.1
291.19537	0.8
293.21265	0.3
315.13486	0.6
340.14481	0.5
346.10294	0.4
349.23706	3.1
357.09909	0.3
372.17249	0.6
377.17642	0.4
381.17679	0.4
391.19070	1.0
392.20517	0.4
403.15384	0.5
404.15863	0.8
404.20517	0.5
405.16495	0.6
405.20828	1.1
406.21506	0.9
407.22794	0.4
418.17871	1.3
419.18378	2.4
420.18616	0.5
420.23547	0.7
421.24075	0.4
423.22180	0.4
432.19724	0.8
433.20123	4.2
434.20975	2.4
435.21860	1.3
437.19690	0.9
445.20410	0.7
446.21295	0.7
447.17862	1.5
447.22296	1.3
448.23584	1.6
449.23422	1.2
451.21313	0.4
459.21756	0.4
460.22763	0.4
461.19473	10.4
462.20319	3.6
463.21051	1.4
465.18497	1.8
467.24521	1.9
475.21313	1.2
476.21957	3.0
477.22943	3.8
479.20142	1.6
480.21429	0.8
489.23068	1.2
493.22040	1.6
494.22864	3.7
495.23941	1.5
505.22440	0.5
506.22723	0.4
507.23859	0.7
508.24408	0.5
520.24805	0.8
521.22064	1.5
531.23779	0.5
531.38257	0.4
533.22174	0.4
534.26276	0.5
535.26892	1.3
539.22998	0.6
547.27197	0.4
548.23944	2.5
549.24982	1.4
553.28082	1.2
563.26556	5.8
564.26514	0.9
565.24872	0.6
566.24701	0.6
576.23761	0.7
581.27625	10.7
582.28259	0.6
593.23865	0.7
594.27380	0.4
607.28589	0.4
608.26233	1.5
609.27112	0.7
623.28680	4.1
623.43237	2.2
624.27930	0.4
641.29578	100.0
642.30005	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	641.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49464	0.2
53.03949	0.4
53.16186	0.2
55.01867	0.2
55.05514	0.4
59.72105	0.2
61.02907	0.4
63.02364	0.4
65.03931	0.4
66.24215	0.2
67.05490	1.0
68.02992	0.2
68.99771	0.3
69.03423	10.6
69.07056	0.3
69.37485	0.4
69.37882	2.0
70.77411	0.2
71.04970	0.4
77.03960	0.2
78.04716	0.4
79.05491	0.7
79.08549	0.2
81.03407	1.1
81.07051	1.0
83.04975	0.3
83.08614	0.3
85.02901	0.6
89.03903	5.2
91.05470	1.6
92.16734	0.2
93.07042	0.9
94.04147	0.2
95.04961	0.7
95.08599	0.5
97.02882	1.4
97.06493	0.3
99.04453	0.3
103.05470	0.5
105.07014	0.7
106.04155	0.4
107.04955	0.5
107.08582	0.4
108.05711	0.2
109.02860	0.8
109.06515	1.1
109.10140	0.5
115.05465	0.3
117.03364	18.5
117.07006	0.3
119.04916	0.4
119.08582	0.3
121.06479	0.8
121.24274	0.2
123.04414	6.0
127.03902	5.0
129.07024	0.4
131.04916	0.5
131.08530	0.3
133.06380	0.2
134.03610	1.3
135.04431	1.9
137.05974	4.1
137.09644	0.2
139.07529	0.4
141.82285	0.2
143.04921	0.3
145.02827	52.8
145.10025	0.2
146.03189	0.7
147.04366	0.8
147.11569	0.3
149.05960	8.9
151.07532	0.2
153.09082	0.5
155.04794	0.3
155.06992	0.5
157.06465	0.3
158.06027	0.4
159.04367	0.3
160.05159	0.3
161.06018	0.3
163.03879	0.8
165.09085	0.6
167.07019	10.6
168.07326	0.3
173.05917	0.4
175.03891	0.5
175.07513	0.9
177.05444	100.0
178.05803	1.4
179.07014	2.2
181.08595	2.8
181.10135	0.4
186.05423	1.8
187.07613	0.4
189.05402	0.5
191.07040	0.3
191.10521	0.2
193.08545	0.9
193.12184	0.3
195.06491	1.6
199.07449	0.2
200.95203	0.2
201.05440	0.6
205.05022	0.3
205.08601	0.2
207.06477	0.3
215.07027	0.3
217.04915	0.3
217.08559	0.2
219.06529	1.5
231.06424	0.4
233.08041	0.8
257.04218	0.2
261.07468	1.0
287.05432	0.4
291.08636	0.3
301.10724	0.3
303.12219	8.5
315.04779	0.6
315.12167	0.8
316.05426	0.6
317.05429	0.5
321.09656	5.8
332.07571	0.2
339.10727	6.5
345.09622	1.2
346.10110	1.3
347.10211	1.4
369.23874	0.3
447.06955	0.2
461.28506	0.4
494.25970	0.2
503.16684	0.6
641.28369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.9
55.05506	2.2
57.03420	1.1
61.02909	0.4
63.02337	0.7
65.03924	0.4
67.05496	4.2
69.03094	0.6
69.03416	6.7
69.07058	1.3
71.04976	1.0
71.61739	0.5
71.62126	0.5
79.05482	3.9
81.03397	3.2
81.07043	4.6
83.04955	1.3
83.08590	1.4
85.06528	0.5
89.03907	5.0
91.05467	4.2
93.07027	3.4
95.04955	1.7
95.08585	1.7
97.02861	1.8
97.06522	1.4
99.04378	0.5
100.71230	0.4
103.05442	1.3
105.07011	2.1
105.72677	0.5
106.04086	0.5
107.04925	1.0
107.08572	1.4
109.02846	1.1
109.06502	2.7
109.10157	2.1
111.04444	0.5
111.08010	0.4
115.05438	0.9
117.03358	16.7
117.06973	0.8
119.04884	0.5
119.08566	1.7
121.06480	0.8
121.10146	1.1
123.04424	7.7
123.11621	0.4
127.03899	3.5
129.06990	1.1
131.04898	1.8
131.08560	1.2
133.06458	0.7
133.10118	1.4
134.03604	0.7
135.04428	1.9
135.08011	0.4
137.05937	3.0
137.09525	0.7
139.07458	0.7
141.06941	0.7
143.04961	0.4
145.02829	45.6
145.10080	0.7
146.21341	0.5
147.04395	1.7
147.11646	1.5
149.04865	0.7
149.05971	9.6
149.09584	1.0
149.13322	0.4
153.09093	1.0
155.06978	0.9
157.06363	0.5
157.10069	1.0
159.04413	0.9
160.05211	0.6
161.05981	0.7
163.03854	1.0
163.07608	0.7
164.04723	0.4
165.09120	0.7
165.12735	0.5
167.07022	18.5
169.10103	0.5
172.05165	0.5
173.05948	1.1
175.07521	1.9
175.11136	0.8
176.11859	0.7
177.05446	100.0
178.05818	1.8
179.06993	1.5
181.06377	0.6
181.08606	3.8
185.05959	0.9
186.05489	2.0
187.03835	0.4
187.07571	0.7
189.05447	1.0
191.06950	0.6
193.08591	1.9
193.12212	1.5
195.06476	1.3
195.08092	0.7
199.07500	0.9
201.05370	1.0
204.06517	0.4
205.04938	0.8
211.07469	0.7
211.13235	1.3
215.06949	0.5
219.06487	4.9
223.07486	0.6
231.06523	0.4
241.09758	0.7
243.06607	0.9
261.07385	0.9
267.15826	0.7
269.12793	1.5
283.06009	0.6
285.12183	0.8
287.05328	0.7
301.03311	1.3
303.12219	9.1
315.04834	1.2
315.12198	1.8
316.05450	1.5
317.05563	1.3
321.09589	4.8
327.12231	1.0
330.07275	0.6
331.08047	5.6
332.07889	0.6
339.07007	0.5
339.10757	6.6
345.09613	2.3
346.09937	2.3
347.10364	2.9
353.13657	0.6
355.12717	0.7
367.15598	0.6
435.27252	0.6
446.91107	0.5
461.28793	1.1
476.26038	0.6
494.26511	1.6
503.16946	1.7
507.27267	0.6
512.27515	1.3
521.18188	1.3
541.25958	1.1
559.26709	1.4
569.25452	1.2
577.27588	0.9
587.26324	2.1
605.27045	0.8
641.21106	2.2
641.32233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
53.65146	0.2
55.01871	0.3
55.05502	1.2
57.03423	0.6
63.02383	0.4
63.06757	0.3
67.05494	3.8
67.61038	0.2
69.03416	1.8
69.07053	0.8
70.06575	0.3
70.78317	0.5
71.04991	0.9
75.15518	0.3
78.04700	0.3
79.05487	2.2
81.03407	6.1
81.07041	2.5
82.07355	0.2
83.04972	0.9
83.08599	1.0
83.72012	0.2
85.02901	1.3
89.03902	6.8
91.05470	3.0
93.07052	1.6
95.04961	1.6
95.08574	1.5
97.02880	0.9
97.06512	0.6
97.10163	0.4
99.04443	0.8
99.46179	0.2
103.05457	0.5
105.07011	1.7
105.83121	0.2
106.04124	0.4
107.04955	0.6
107.08566	1.0
109.02854	1.5
109.06493	1.0
109.10149	1.6
111.04465	0.4
111.08104	0.4
117.03360	19.1
117.07026	0.3
118.03712	0.5
119.04907	0.4
119.08594	1.3
120.08163	0.2
121.06480	0.7
121.10112	0.6
123.04411	3.3
123.11716	0.5
124.29692	0.2
125.09643	0.2
127.03907	0.6
129.06999	0.6
131.04948	0.3
131.08534	0.8
133.10115	1.2
134.03596	1.3
135.04434	1.7
135.08026	0.3
135.11694	0.3
137.05971	2.0
137.09616	0.5
145.02823	50.2
145.10048	0.3
146.03146	1.1
147.04404	0.7
147.11705	0.8
149.05962	7.8
149.09572	0.4
155.07042	0.3
157.06357	0.3
157.10184	0.5
158.05972	0.5
161.05934	0.4
162.05457	0.3
163.03848	0.7
165.09073	0.9
167.07018	3.7
173.05954	0.5
175.07512	0.3
175.11194	0.4
177.05440	100.0
178.05754	1.5
179.07027	1.1
181.06393	0.3
181.08578	0.9
185.05925	0.3
186.05438	2.4
187.05751	0.2
191.06984	0.3
193.08545	0.4
193.12198	0.9
195.06493	0.8
199.07399	0.4
204.06509	0.3
205.08527	0.5
205.12346	0.3
207.08112	0.2
209.08032	0.6
211.07466	0.6
211.13260	0.9
220.02821	0.3
223.07454	0.3
231.02934	0.3
233.07953	0.4
239.07117	0.4
255.03021	0.4
255.06099	0.2
256.14487	0.5
261.09082	0.3
267.15891	0.4
275.09103	0.8
283.06125	0.4
284.13968	0.5
287.05530	0.3
289.10767	0.3
303.12244	1.5
315.04855	0.8
315.12186	0.6
316.05200	0.8
317.05463	1.0
321.09631	5.0
330.07312	0.7
331.07623	0.3
332.07996	0.4
339.10712	2.5
345.09778	1.7
345.13293	0.5
346.10013	2.3
347.10147	1.9
357.14337	0.3
375.24667	0.4
393.26266	0.4
461.28824	0.6
476.25409	0.4
479.29550	0.3
494.26611	1.1
512.27448	1.5
559.26392	0.7
569.24713	0.7
577.27618	0.5
587.26611	1.1
605.26636	1.0
609.22491	0.3
641.16150	0.6
641.30298	1.0
641.45898	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1508
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
50.67084	0.4
53.03922	0.5
53.95905	0.4
55.01852	0.5
56.96542	0.3
57.03403	0.5
63.02352	0.5
67.05479	0.6
68.99773	0.9
69.03404	0.8
70.06576	0.9
71.62154	0.4
71.62552	0.5
72.18691	0.4
79.05489	0.4
81.03394	1.1
81.07043	0.7
83.04973	0.6
85.02883	1.3
89.03903	5.4
91.05485	0.9
95.04944	0.9
95.08647	0.4
97.02869	2.3
97.06522	0.6
98.10441	0.3
103.05450	0.4
105.07013	0.4
107.04968	0.5
107.08604	0.6
109.02862	0.9
111.00775	1.4
111.04431	0.6
117.03365	15.6
117.04197	0.7
119.04867	0.5
119.22297	0.4
121.02866	1.3
121.06571	0.5
122.68863	0.4
123.04402	1.1
127.03902	1.4
134.03592	1.0
135.04355	1.6
137.02341	4.0
137.05945	1.3
145.02831	40.7
146.03178	0.6
147.04379	1.8
149.02359	0.9
149.05948	5.4
151.03850	0.7
153.01791	5.5
155.04866	0.5
157.06451	0.4
161.05968	0.8
163.03906	2.2
165.01831	2.5
167.06978	0.7
173.05974	0.9
177.05449	64.3
178.05969	1.5
179.03423	0.5
179.06679	0.6
183.02826	1.3
183.04324	0.8
186.05457	1.2
187.07390	0.5
189.05315	0.8
195.06467	2.0
201.05426	2.1
205.04745	0.4
215.07040	0.6
229.04945	5.6
239.03195	0.5
243.06441	0.5
255.02898	1.3
256.03403	1.4
257.04477	3.1
259.06100	0.6
261.07468	1.4
270.04648	0.4
271.06036	3.7
274.04626	0.8
285.03888	1.3
285.07391	0.8
287.05414	1.4
288.05682	1.0
289.06000	1.0
299.05554	2.3
300.05902	0.9
301.03189	0.5
301.06866	0.9
303.04962	100.0
304.05392	2.2
315.04938	6.4
316.05273	5.6
317.05530	7.2
321.09619	1.6
329.05737	0.4
330.07324	3.1
331.07602	2.8
332.07919	2.8
339.10687	1.6
345.06403	0.4
345.09644	14.4
346.09998	13.9
347.10245	17.9
461.12289	1.3
479.13205	2.5
491.29388	0.4
495.22498	0.5
514.05658	0.4
641.16223	0.6
641.24963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67084	0.4
53.03922	0.5
53.95905	0.4
55.01852	0.5
56.96542	0.3
57.03403	0.5
63.02352	0.5
67.05479	0.6
68.99773	0.9
69.03404	0.8
70.06576	0.9
71.62154	0.4
71.62552	0.5
72.18691	0.4
79.05489	0.4
81.03394	1.1
81.07043	0.7
83.04973	0.6
85.02883	1.3
89.03903	5.4
91.05485	0.9
95.04944	0.9
95.08647	0.4
97.02869	2.3
97.06522	0.6
98.10441	0.3
103.05450	0.4
105.07013	0.4
107.04968	0.5
107.08604	0.6
109.02862	0.9
111.00775	1.4
111.04431	0.6
117.03365	15.6
117.04197	0.7
119.04867	0.5
119.22297	0.4
121.02866	1.3
121.06571	0.5
122.68863	0.4
123.04402	1.1
127.03902	1.4
134.03592	1.0
135.04355	1.6
137.02341	4.0
137.05945	1.3
145.02831	40.7
146.03178	0.6
147.04379	1.8
149.02359	0.9
149.05948	5.4
151.03850	0.7
153.01791	5.5
155.04866	0.5
157.06451	0.4
161.05968	0.8
163.03906	2.2
165.01831	2.5
167.06978	0.7
173.05974	0.9
177.05449	64.3
178.05969	1.5
179.03423	0.5
179.06679	0.6
183.02826	1.3
183.04324	0.8
186.05457	1.2
187.07390	0.5
189.05315	0.8
195.06467	2.0
201.05426	2.1
205.04745	0.4
215.07040	0.6
229.04945	5.6
239.03195	0.5
243.06441	0.5
255.02898	1.3
256.03403	1.4
257.04477	3.1
259.06100	0.6
261.07468	1.4
270.04648	0.4
271.06036	3.7
274.04626	0.8
285.03888	1.3
285.07391	0.8
287.05414	1.4
288.05682	1.0
289.06000	1.0
299.05554	2.3
300.05902	0.9
301.03189	0.5
301.06866	0.9
303.04962	100.0
304.05392	2.2
315.04938	6.4
316.05273	5.6
317.05530	7.2
321.09619	1.6
329.05737	0.4
330.07324	3.1
331.07602	2.8
332.07919	2.8
339.10687	1.6
345.06403	0.4
345.09644	14.4
346.09998	13.9
347.10245	17.9
461.12289	1.3
479.13205	2.5
491.29388	0.4
495.22498	0.5
514.05658	0.4
641.16223	0.6
641.24963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90448	1.9
55.05499	17.1
56.87632	2.3
57.03429	12.5
57.07069	35.5
67.05497	42.3
69.07060	23.4
69.55256	9.1
69.55689	8.0
69.98429	1.8
71.04980	3.4
71.08627	24.9
72.96845	1.9
79.05487	31.0
81.03404	2.1
81.07043	49.2
83.04964	7.1
83.08608	17.5
85.06522	2.9
85.10170	15.3
91.05464	31.1
93.07019	29.5
95.04948	8.6
95.08591	32.3
97.06519	11.0
97.10159	6.4
105.07027	21.8
107.04990	5.2
107.08581	17.1
109.06506	4.6
109.10130	12.3
111.08062	3.9
117.06996	8.0
119.08552	12.3
121.06438	2.6
121.10130	7.5
123.08009	2.2
123.11708	5.0
129.06987	3.2
130.07697	2.9
131.08563	16.8
133.10152	12.5
135.08022	5.2
135.11661	10.7
145.10077	7.4
147.11649	6.0
149.09555	6.9
149.13211	7.0
159.11714	10.2
161.13124	2.7
173.07722	2.1
177.12782	5.0
195.13670	5.0
202.10376	2.2
217.15816	2.5
227.00888	2.1
239.18068	3.2
239.23637	4.5
251.16559	4.3
255.15891	14.7
257.19003	8.3
269.17401	17.0
275.20004	29.1
291.19525	3.0
294.52310	1.9
313.27304	82.7
331.22479	3.8
349.23785	13.9
367.24805	3.9
444.23663	2.2
467.37775	2.4
493.38840	21.7
507.40408	100.0
587.46185	9.5
605.46722	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	640.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54150	1.1
53.03939	1.2
55.01874	1.3
55.05504	21.7
57.03424	2.8
57.07066	11.7
59.72319	1.1
61.06864	1.1
62.61415	1.0
67.05492	18.3
67.74957	1.1
69.03423	2.8
69.07056	8.3
69.29192	13.3
70.06573	3.9
71.08617	7.8
71.33021	1.0
79.05479	16.2
81.07048	15.6
83.04951	2.2
83.08605	16.4
85.10181	4.6
91.05457	8.8
93.07047	8.0
95.08595	9.8
97.10156	30.4
100.93684	1.0
104.01214	0.9
105.07008	8.2
107.04951	1.6
107.08577	27.6
108.08870	1.2
109.10125	8.8
112.46983	1.0
117.07014	2.3
119.08561	4.4
121.10136	2.5
122.01601	1.0
123.11694	2.4
125.09606	27.7
125.50300	1.0
131.08519	2.8
133.10114	4.3
135.08070	3.0
135.11696	1.6
145.10081	7.6
147.11673	3.2
149.09579	2.9
151.47789	0.9
153.09062	1.6
153.12686	1.1
159.11699	2.2
171.10185	1.4
171.11710	1.1
189.11192	17.6
227.12741	100.0
228.13055	2.2
239.17897	2.3
252.15973	1.4
257.18939	6.9
272.46912	1.1
275.20026	24.6
288.01883	1.0
313.27295	35.2
314.27728	2.2
320.97003	1.2
331.22684	2.2
349.23651	20.2
483.36679	10.4
507.39502	1.8
529.38635	1.7
582.43628	1.7
587.46582	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71872	0.8
57.02002	0.8
61.20253	0.8
70.06577	1.2
71.62192	1.5
84.04496	0.8
85.02907	2.3
97.02894	1.2
137.05928	1.0
147.04431	1.3
153.01825	1.0
158.45425	0.8
167.07083	1.0
177.05510	2.2
178.06161	1.2
181.04915	1.4
195.08032	0.9
207.06534	1.7
209.04446	2.0
219.08011	2.7
221.05980	1.0
234.06770	2.5
235.07561	1.7
237.05397	2.5
246.06789	1.3
247.07504	4.6
249.05243	1.0
250.06258	2.0
251.06975	1.0
255.02898	1.9
256.03275	2.2
257.06079	1.0
262.06250	4.8
263.06915	5.1
264.07886	1.9
265.04935	2.5
265.08548	2.7
269.04382	1.2
271.05908	1.4
275.06992	1.7
278.05670	6.0
279.06445	5.8
287.05341	1.5
288.05905	1.8
290.05734	2.4
291.06482	4.2
292.07266	4.1
293.04401	3.0
293.08026	4.4
295.06094	2.5
296.06619	0.9
297.07327	1.2
299.05530	0.9
300.02396	1.0
303.06464	3.4
305.04596	1.3
306.02036	0.8
306.05258	3.4
307.05920	3.9
308.06851	4.9
309.07632	1.1
310.08548	2.0
313.07132	1.9
314.03687	2.1
314.07617	3.6
315.04895	14.3
316.05276	12.8
318.05338	3.8
319.05899	3.8
320.06729	5.8
321.03888	6.1
321.07513	5.2
323.05453	6.4
323.09003	1.6
324.06387	1.6
325.07065	1.8
330.07309	4.9
331.07745	6.3
335.05414	1.6
335.09067	3.2
336.06180	6.3
337.07068	1.7
338.07748	7.5
339.08566	1.2
340.05630	1.4
345.09610	26.7
346.09976	44.2
348.06418	1.0
349.03360	1.9
349.07156	3.5
351.04822	1.2
351.08575	4.3
353.10101	9.9
363.08588	8.0
364.05688	40.5
365.06277	2.6
368.05280	3.3
379.08032	23.7
381.09787	7.7
382.06766	2.3
383.07602	0.9
397.09146	21.3
407.07590	3.0
425.08615	100.0
426.08890	2.8
443.09720	2.6
622.19110	1.1
640.20551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84671	1.8
52.68507	1.7
53.03934	7.8
55.01860	8.0
55.05503	30.9
57.03430	29.4
57.07054	3.8
58.93668	1.6
62.37896	1.8
65.03931	5.4
67.05499	67.0
69.07068	20.2
69.36578	8.3
69.37005	12.7
79.05487	52.8
80.02130	1.9
81.03397	9.8
81.07047	68.2
83.04976	17.8
83.08620	12.7
85.06535	6.5
91.05470	61.6
93.07030	50.7
95.04950	15.8
95.08595	44.3
97.06520	6.9
97.10158	4.6
99.04466	2.4
103.05468	4.2
105.07016	59.6
107.04941	18.9
107.08570	25.9
109.06504	18.1
109.10162	14.5
111.04424	6.8
111.08061	4.5
113.05990	9.8
113.69966	1.8
115.05439	4.3
117.07005	30.9
119.08561	33.1
121.06495	7.6
121.10154	15.2
123.08024	9.0
125.05924	2.5
125.09591	4.1
128.06218	5.6
129.06999	20.2
131.07019	2.8
131.08553	38.8
133.06477	6.9
133.10121	24.0
135.08060	12.0
135.11673	13.7
137.09595	4.6
141.06985	10.4
142.07802	4.0
143.08571	20.9
145.06476	8.7
145.10104	27.9
147.08041	7.3
147.11671	16.6
149.05942	2.3
149.09641	5.6
149.13206	5.0
151.07582	2.9
151.11182	3.3
153.06989	4.0
155.08531	12.7
156.34268	1.9
157.10089	20.4
159.08073	9.4
159.11662	23.1
161.09579	5.3
161.13258	11.7
163.11227	6.8
165.06938	5.0
167.08575	9.3
168.09367	2.6
169.10104	19.6
171.08025	3.2
171.11667	12.8
173.09636	3.7
173.13248	9.6
175.11121	4.5
175.14827	3.3
177.12723	7.1
178.06306	2.1
179.08496	5.4
181.10104	12.4
183.08022	3.2
183.11624	13.9
185.09627	5.5
185.13235	8.0
187.11153	7.7
187.14816	5.2
189.12784	4.5
191.08525	2.1
193.10121	6.4
195.11681	10.4
195.13702	3.9
197.13219	11.6
199.11215	5.3
199.14848	5.0
201.12769	2.6
203.14369	2.7
205.10063	4.0
205.12247	2.5
205.15906	3.4
207.11594	5.9
209.13303	6.5
211.11252	3.1
211.14821	6.1
213.12752	4.2
213.16426	2.7
215.14310	4.2
219.11687	4.3
221.13228	6.5
221.15302	2.6
223.14876	3.9
225.16440	2.0
227.18010	2.6
233.13162	4.2
233.15381	5.3
235.14813	3.8
237.12694	2.9
239.14227	3.1
241.14157	2.9
241.19577	2.2
247.14638	2.8
253.15924	2.5
255.17560	2.7
257.19049	7.1
259.20349	3.6
261.16272	3.5
261.18658	2.5
271.16965	3.1
271.20352	3.4
273.18408	5.6
273.21207	2.2
275.20093	6.7
276.73419	2.1
279.15820	21.0
283.20706	3.0
285.21982	3.4
287.05396	2.5
289.18103	11.5
289.21155	2.3
291.19522	8.6
303.13202	2.2
309.22107	2.2
313.21454	2.9
315.04950	10.9
316.05289	2.7
323.23605	2.5
327.23282	2.8
330.07227	4.8
333.24072	2.1
339.23157	3.5
341.24719	2.9
343.26263	6.6
345.03247	2.0
345.09622	25.5
346.09869	3.8
347.22455	2.5
351.23108	2.5
363.21762	6.8
365.24442	2.5
377.24512	2.1
383.25726	2.4
437.29514	2.0
443.27637	2.7
473.34250	5.6
491.20743	2.3
491.35126	7.8
492.20959	3.1
492.35989	2.5
493.21646	2.6
509.36859	2.9
511.35867	2.9
527.36932	3.1
529.36584	7.7
547.37970	13.0
549.24768	3.0
561.24402	2.4
565.38788	25.8
566.39410	2.3
567.36420	4.1
579.25293	17.1
583.40460	2.5
593.42102	3.2
597.26477	3.0
603.40332	7.2
609.27222	4.9
621.41382	100.0
622.41187	6.1
639.27216	54.9
639.42230	48.1
640.27875	6.4
640.42578	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.5
55.01862	14.7
55.05502	33.3
57.03430	21.3
65.03911	4.6
67.05491	75.3
68.17149	2.6
69.07051	32.3
71.08587	3.0
71.58968	3.1
79.05475	53.2
81.03401	10.4
81.07044	60.2
83.04967	18.7
83.08592	12.8
85.06526	10.4
91.05462	69.9
91.13090	2.7
93.07030	47.7
95.04949	26.0
95.08590	39.6
97.06503	13.4
97.10168	12.8
105.07009	54.5
107.04935	20.6
107.08578	36.0
109.06506	16.7
109.10130	18.4
111.04418	2.9
111.08062	4.5
111.15972	2.7
113.05973	6.1
115.05456	5.7
117.07015	25.1
119.08564	37.8
121.06465	11.2
121.10110	20.8
121.46612	2.8
123.04367	4.0
123.08044	10.0
123.11675	2.9
125.05991	3.6
125.09588	7.2
128.06255	3.1
129.06969	18.9
131.08551	36.5
133.06477	10.2
133.10091	29.7
135.08044	14.6
135.11641	13.8
135.86447	2.8
137.09544	4.5
141.06964	8.6
142.07724	4.1
143.08501	20.9
145.06421	5.7
145.10088	30.8
147.11627	14.6
149.09593	12.3
149.13234	7.1
154.07779	2.7
155.08516	15.1
157.10155	18.1
159.08017	5.7
159.11658	23.5
161.09607	7.9
161.13228	8.7
163.11163	10.0
165.09109	2.9
167.07143	2.9
167.08495	4.3
169.10146	11.1
171.11673	12.7
173.09615	5.5
173.13266	8.4
175.11102	5.9
175.14795	4.3
177.12712	3.3
178.06285	6.9
179.08525	3.6
179.14287	3.2
180.09337	3.8
181.10092	9.0
183.11716	9.9
185.09682	4.2
185.13269	9.6
187.11169	8.7
187.14749	6.3
195.11674	9.2
197.13229	7.3
199.11298	3.7
199.14774	4.7
205.10312	2.9
205.12198	3.3
207.11699	9.7
209.13193	4.9
211.11229	3.2
213.12776	5.3
221.13293	5.2
223.15002	3.6
227.12608	4.4
233.15346	3.3
235.14816	5.0
255.02823	9.7
257.19031	11.0
261.18588	3.7
271.16861	4.1
273.18375	18.9
275.19992	21.2
279.15878	13.3
285.22354	3.5
287.05365	8.3
289.17911	6.3
291.19485	23.9
300.02652	3.8
312.06210	4.1
315.04910	55.0
323.23959	4.1
325.25381	3.3
330.07263	21.2
331.22260	4.1
343.26251	4.3
345.09647	100.0
346.09912	6.6
347.21814	3.2
349.24533	3.0
353.87665	3.2
363.21637	4.8
365.24329	3.8
463.69376	2.9
491.34976	4.4
529.36652	4.9
547.37445	10.6
565.38617	14.3
567.36493	3.4
603.40051	4.1
621.31104	5.1
621.41327	66.6
622.41534	3.1
639.23737	17.4
639.42133	63.0
640.25537	4.0
640.41772	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	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26547	0.5
53.03949	3.3
55.01870	2.5
55.05505	7.1
57.03430	4.6
65.03927	1.1
65.43695	0.5
67.05497	10.0
69.03417	5.7
69.07061	3.2
69.44672	4.4
71.01329	0.6
71.04995	2.6
74.46322	0.5
79.05484	10.4
79.60404	0.5
81.03407	40.5
81.07046	12.6
82.03754	0.9
83.04970	8.2
83.08604	8.4
85.02893	8.8
85.06526	1.0
91.05469	14.1
93.07037	7.5
94.03983	0.5
95.04411	1.0
95.04962	11.4
95.08594	4.4
95.71008	0.5
97.02888	5.9
97.06516	3.1
97.10149	2.3
99.04429	1.9
99.08059	0.6
103.05460	0.9
105.07023	9.2
107.04958	3.4
107.05632	0.7
107.08581	3.8
108.23608	0.5
109.02859	6.2
109.06518	2.0
109.10139	2.3
111.04429	4.9
111.08076	3.2
113.05980	0.9
113.85760	0.6
115.05411	1.1
117.07006	2.1
119.04927	0.8
119.08570	8.1
121.06470	1.9
121.10126	4.6
123.04389	1.5
123.08043	1.8
123.11659	1.5
125.09628	1.8
127.03881	3.4
129.05460	1.0
129.06995	5.1
131.04887	0.5
131.08556	4.6
133.06447	1.5
133.10114	3.8
135.04449	0.7
135.08051	0.8
135.11658	1.0
137.02345	0.5
137.05893	0.8
137.09583	0.7
137.13246	0.6
141.06950	0.7
142.07729	1.1
145.06483	1.1
145.10098	2.0
147.04390	0.8
147.08032	1.6
147.11697	6.8
149.05948	0.8
149.09618	2.7
153.01817	0.8
153.12653	0.8
155.08513	0.6
157.10120	6.6
161.05875	0.5
161.09677	0.6
163.03889	1.0
163.11163	2.5
165.12770	2.3
167.07079	1.1
171.08105	0.6
173.04425	1.1
175.11188	4.5
177.05458	0.9
178.06267	3.9
181.12199	1.1
189.11185	0.7
191.10709	1.1
193.12218	17.3
209.11702	0.6
211.13268	28.2
213.14743	0.5
216.04053	0.8
217.04930	0.5
227.12784	2.2
229.14345	0.9
235.13278	1.0
244.03629	1.0
249.14780	0.6
255.02882	6.4
259.05905	1.0
267.15851	7.2
269.04453	1.6
273.14764	0.6
277.14160	0.7
283.02396	1.1
283.05966	0.8
283.15411	1.5
285.03738	0.6
285.16974	4.5
287.05508	7.8
289.14462	0.8
297.03830	1.4
299.05466	1.7
300.02725	2.5
301.14261	1.6
311.05560	0.9
312.06183	1.5
313.06860	1.0
315.04965	40.6
316.05261	3.3
319.15207	1.0
329.06567	0.9
330.07300	17.3
331.07574	2.0
337.16324	1.7
345.09650	100.0
346.10007	10.7
355.17554	2.7
367.22586	0.8
375.17923	1.0
385.07196	0.5
385.23648	0.8
393.19058	1.5
403.24860	0.8
408.13260	0.5
411.20053	2.7
419.07294	0.6
429.20801	0.7
459.27219	3.1
477.28271	4.3
495.29410	6.0
507.14456	0.7
511.28995	0.8
585.30090	0.7
603.31879	0.7
621.32593	4.4
639.33777	15.8
640.33594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01859	7.6
55.05505	19.0
57.03427	8.0
65.03932	4.3
67.05495	47.5
69.03417	18.9
69.07053	12.5
69.23449	1.4
69.98002	3.1
69.98411	5.2
70.39748	1.4
71.01340	2.8
71.04989	7.8
73.02911	1.5
77.79888	1.3
79.05482	31.7
81.03407	38.3
81.03886	1.9
81.07046	43.8
82.37827	1.4
83.04975	10.9
83.08605	12.0
85.02882	8.6
85.06537	3.3
91.05469	26.0
92.07243	1.4
92.59515	1.3
93.07037	29.6
95.04950	15.6
95.08592	21.6
97.02883	12.5
97.06519	8.1
97.10161	8.1
99.04443	4.5
105.04469	1.9
105.07016	18.6
107.04932	8.5
107.08584	19.8
109.02858	12.0
109.06518	7.9
109.10143	14.9
111.04438	6.6
111.08045	5.6
113.05956	2.0
115.05417	1.5
117.07033	8.4
117.07690	1.5
117.51434	1.5
119.04947	1.4
119.08565	11.7
121.06505	5.3
121.10086	10.1
123.04417	3.4
123.08070	3.3
125.09624	6.1
127.03904	12.7
128.06204	1.9
129.05473	1.6
129.06992	4.4
131.08536	10.7
133.06459	2.9
133.10103	9.2
135.08034	5.3
135.11667	6.5
137.05963	3.9
137.09605	5.7
143.08517	4.2
145.06436	1.7
145.10146	10.0
147.04364	1.5
147.08035	3.5
147.11653	4.9
149.05969	2.3
149.09601	3.0
149.13242	8.4
153.12738	5.3
155.08554	2.6
157.10133	3.9
159.07990	2.2
159.11679	6.7
161.09669	1.7
161.13283	2.0
163.07567	1.6
163.11168	9.3
165.09116	22.3
165.12752	1.5
167.06998	4.8
167.08372	1.6
169.10057	2.6
171.08093	1.8
171.11583	1.5
173.04459	13.0
173.09544	3.1
173.11745	2.7
173.13181	1.8
175.11174	2.7
177.12709	4.2
178.06294	3.4
181.10028	1.5
181.12233	3.2
185.13216	1.9
189.11253	4.0
191.10616	4.4
195.13806	5.9
197.13184	2.0
205.12161	1.8
209.11711	10.6
227.12764	10.8
229.14175	1.9
239.75253	1.3
244.03603	1.6
255.02887	5.0
259.06055	1.7
265.14377	1.4
267.15997	2.0
269.04428	1.9
269.17459	8.7
273.18573	3.7
275.20081	5.4
283.15436	3.5
285.07599	2.7
287.05469	5.1
291.19449	5.6
300.02719	2.4
315.04941	32.9
316.05481	3.0
330.07339	13.7
345.09644	100.0
346.10001	8.0
353.15887	3.7
357.09659	2.0
395.20569	2.0
423.27371	6.6
427.19217	2.0
459.27496	2.5
477.28717	6.4
495.29504	3.6
527.37115	2.2
570.17340	1.6
603.30286	2.2
621.31506	6.3
621.41302	2.9
639.32867	20.2
639.42188	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	639.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12752	0.6
69.42925	6.8
73.32718	0.6
75.88221	0.6
79.05489	0.7
86.83116	0.6
96.91917	0.7
106.95300	0.6
111.31092	0.6
119.08591	0.6
134.05962	0.9
221.10652	1.2
237.13824	1.2
298.13391	1.2
314.16510	0.7
345.09402	0.9
363.16220	0.8
374.16425	0.9
376.16995	1.4
377.17584	3.6
378.18460	2.1
389.17871	2.1
390.18414	2.4
391.19168	9.4
392.19946	6.2
393.20996	2.2
403.19385	4.0
404.20023	3.8
405.20758	15.3
406.21481	7.4
407.22287	21.1
408.22534	1.4
417.20697	1.5
418.21716	2.3
419.22394	8.5
420.23047	6.2
421.17215	1.5
421.23795	25.0
422.18173	1.5
422.24460	6.8
429.21017	0.9
431.18057	1.1
433.24228	6.0
434.24655	4.5
435.18307	2.8
435.25522	1.9
436.18823	3.6
437.19675	1.0
445.19958	1.7
447.21326	1.4
447.26318	1.1
448.26730	1.1
449.19250	3.9
450.20749	2.3
451.21277	19.4
452.22049	5.9
459.21765	0.8
460.22897	1.2
461.23499	3.0
463.21384	1.3
464.22125	2.2
465.22867	24.8
465.29434	1.4
466.23447	3.4
472.18451	0.8
473.19879	2.4
475.21594	2.6
477.23056	1.7
478.23920	2.0
479.24362	2.0
487.21387	4.6
488.22009	2.1
491.21127	2.8
492.21613	2.6
493.26019	3.0
501.23117	3.6
502.23459	0.9
503.24341	19.6
504.24893	2.0
505.21606	1.2
507.27557	14.3
508.28226	5.2
523.23267	4.2
533.25189	1.6
535.26990	22.8
536.27332	2.5
537.24921	12.1
547.23547	0.9
551.26526	7.4
552.27222	24.5
552.35638	1.4
553.27551	1.3
561.24933	5.3
562.25073	0.8
579.25879	13.6
580.26581	5.0
593.27631	2.0
595.29071	7.4
621.26978	21.9
622.27393	1.4
639.28058	100.0
640.28339	5.5
668.26776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.05500	2.5
67.05484	3.4
68.31008	0.8
69.07059	2.3
70.87569	1.7
70.87920	1.5
77.95469	0.7
78.57715	0.8
78.82338	0.8
79.05477	3.8
81.07064	5.0
83.08618	0.8
91.05473	3.5
93.07006	3.3
95.04949	2.0
95.08601	3.2
97.10161	1.0
102.79867	0.8
105.07020	2.9
107.08568	1.7
109.06519	1.3
109.10117	1.5
112.62096	0.8
116.49085	0.8
117.06995	2.0
119.08553	2.0
129.07013	1.1
131.08516	1.5
133.10110	1.5
135.11655	0.9
145.10118	1.4
159.11700	1.2
165.12741	0.9
171.11774	1.0
175.11140	0.9
183.70673	0.8
225.10248	1.5
237.10118	1.0
239.11807	1.1
273.18433	1.1
275.20126	1.8
287.05652	1.1
291.19614	1.4
297.04031	0.9
315.05066	6.2
330.07318	2.8
344.18274	0.9
345.09653	13.4
346.10223	1.1
377.18002	1.1
379.19278	1.3
391.15274	1.1
391.19812	1.2
393.20874	2.5
403.19467	1.3
405.17047	1.8
406.17609	1.9
407.18161	4.3
418.17703	1.1
419.18619	3.4
420.19788	1.7
421.20413	11.6
422.20914	2.3
431.18832	1.3
431.55963	0.9
432.19461	1.1
433.20685	5.2
434.16559	1.3
434.21484	2.1
435.17514	2.6
435.21844	4.3
436.22757	5.8
446.21436	1.1
447.21469	3.1
448.18628	2.0
449.19525	17.9
450.20361	6.5
461.19684	1.5
462.20599	1.9
463.21527	8.4
464.21967	12.3
465.22800	3.1
473.23447	3.0
474.20575	2.4
475.21350	4.0
477.18091	4.0
478.19922	4.0
489.23132	1.0
491.20352	1.5
492.21524	1.4
493.22324	4.5
501.22903	2.0
503.22818	0.8
505.22217	2.3
507.23984	5.9
519.24097	1.3
521.25458	1.6
523.26862	0.9
531.24030	1.6
533.23163	1.7
535.23657	4.5
536.23633	1.8
537.21051	0.9
546.39886	1.0
547.23425	2.3
550.25525	2.3
551.26453	9.0
561.24792	9.9
564.23370	8.3
565.24500	2.5
575.22644	4.0
579.25964	65.0
580.26508	4.9
595.25171	1.1
597.26477	1.4
607.25397	19.4
608.25299	1.5
611.28717	2.4
621.26941	21.2
621.40857	1.3
622.27905	1.6
624.25946	1.9
639.27991	100.0
640.28534	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.24516	0.2
52.42802	0.3
55.01839	0.3
55.05497	1.1
57.03421	0.7
65.03924	0.3
67.05487	2.2
69.07061	1.2
77.85139	0.2
79.05475	2.4
81.03392	0.5
81.07037	2.1
83.04972	0.5
83.08614	0.6
85.06543	0.4
91.05453	1.9
93.07034	1.7
95.04953	1.1
95.08597	0.9
97.06511	0.4
97.10123	0.5
105.07009	1.8
107.04977	0.5
107.08588	0.8
108.08102	0.2
109.06502	0.9
109.10166	0.5
113.06041	0.3
117.06987	0.9
119.08562	2.0
120.08106	0.3
121.10149	0.6
123.08099	0.3
125.09645	0.4
129.07002	0.4
131.08568	1.0
133.06502	0.2
133.10110	0.9
135.08040	0.7
135.11667	0.3
143.08549	0.4
145.10065	1.2
147.11708	0.4
149.09634	0.4
155.08511	0.4
159.08096	0.3
159.11693	0.5
161.13242	0.2
163.11232	0.3
167.08533	0.3
169.10124	0.3
171.11603	0.3
173.13293	0.3
178.06248	0.4
185.13293	0.3
189.11156	0.2
201.12363	0.3
204.06630	0.5
225.10255	0.4
227.11934	0.3
229.43188	0.3
235.08688	0.4
237.10205	0.3
239.11810	0.5
241.13345	0.4
249.10123	0.5
251.11652	0.4
255.02885	0.6
269.04282	0.2
273.18378	0.6
275.20053	1.0
277.09689	0.3
287.05618	0.3
291.19473	1.8
300.11234	0.3
311.13980	0.3
314.12689	0.3
315.04944	2.5
326.12930	0.4
328.14334	0.4
330.07385	1.2
339.13437	0.3
340.14307	0.3
342.12314	0.3
345.09601	5.9
346.10242	0.3
354.15851	0.3
356.17697	0.4
375.15292	0.2
379.19418	0.3
391.15091	0.6
391.19562	0.3
392.15973	0.5
393.17038	1.0
393.21307	0.6
405.17065	1.0
406.17834	0.8
407.18417	2.1
408.19193	0.3
409.19940	0.4
417.16864	0.6
418.18091	0.4
419.14597	0.8
419.19568	1.2
420.15411	0.7
420.19662	0.9
421.20410	5.5
422.21176	1.5
423.21854	0.7
431.18964	0.5
432.19574	0.8
433.15906	0.8
433.21283	1.7
434.16415	1.3
434.22095	0.4
435.17142	2.9
435.22571	1.0
436.22964	2.2
437.23740	0.5
445.16739	0.8
447.22464	2.0
448.18253	2.1
449.19577	11.1
450.20300	3.7
451.21277	0.5
459.18018	0.8
460.18918	0.6
461.19522	1.3
462.20395	0.9
463.21548	5.2
464.22031	5.1
465.23209	1.3
473.19623	0.7
474.20438	0.7
475.21594	2.3
476.18231	0.3
476.21631	0.3
477.18741	6.0
478.19821	2.3
479.20706	1.5
488.21936	0.4
489.18994	0.7
491.20221	1.3
492.21176	1.2
493.22754	1.3
495.23825	0.6
503.21143	0.3
505.22110	0.4
507.24887	1.2
508.23969	0.3
509.21143	0.4
519.19897	0.3
519.24158	0.4
521.21545	0.7
523.22693	2.2
524.23279	0.3
533.20691	1.2
535.23663	3.5
536.24060	1.9
537.21753	1.9
547.23297	0.8
549.21460	0.8
550.25659	1.0
551.26465	2.9
552.26465	0.3
561.24890	4.3
563.22992	0.9
564.23511	4.7
565.24139	2.9
567.26221	0.3
569.54871	0.3
579.25970	7.3
580.26105	0.3
581.23901	1.0
589.23877	0.3
592.22894	0.5
595.25543	2.8
596.26227	1.3
602.13434	0.3
607.25159	0.6
609.22925	0.4
610.28180	1.4
611.28479	0.6
621.27039	5.0
621.41595	0.6
622.27075	0.4
624.25653	5.5
639.27997	100.0
640.28308	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	639.1907
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.03936	0.3
55.05483	0.6
57.03159	0.2
57.03416	0.5
64.65706	0.2
64.82052	0.2
65.03943	0.2
67.05499	1.9
69.03387	0.6
69.07037	0.6
69.35281	1.7
71.04948	0.3
73.84763	0.1
74.70347	0.1
76.61300	0.2
79.05483	1.2
81.03416	1.6
81.07049	1.5
83.04951	0.7
83.08606	0.3
85.02885	0.5
91.05460	1.3
93.07046	1.2
95.04964	0.9
95.08571	0.7
97.02885	0.5
97.06499	0.4
97.10127	0.2
98.21490	0.3
103.01630	0.2
103.05467	0.2
105.06982	0.8
107.04914	0.6
107.08582	0.8
109.02871	0.3
109.06435	0.3
109.10116	0.2
111.04433	0.2
111.08047	0.3
117.06998	0.4
119.08547	0.7
120.08071	0.3
121.06467	0.2
121.10112	0.3
123.04383	0.5
123.11668	0.3
125.09613	0.2
127.03825	0.2
129.06958	0.4
131.08505	0.6
133.06499	0.2
133.10115	0.5
135.08026	0.3
135.11632	0.3
143.08542	0.2
145.10126	0.3
147.04434	0.2
147.11713	0.3
149.05879	0.2
149.09579	0.2
153.01807	1.1
157.10063	0.3
159.08157	0.2
161.02252	0.2
163.03902	0.5
163.11101	0.2
163.89096	0.2
167.06966	0.6
167.08371	0.2
170.02069	0.2
173.04543	0.3
175.11119	0.3
177.05498	0.3
178.02609	0.4
178.06230	2.8
179.03375	0.4
183.02782	0.2
193.12239	0.4
195.06371	0.3
204.04210	0.4
205.05106	0.2
209.11641	0.3
211.13297	0.4
216.04143	0.9
217.04988	0.4
227.03256	0.2
227.12897	0.2
228.04161	0.2
231.02766	0.3
231.06526	0.4
241.04956	0.6
243.06512	0.4
244.03633	0.5
255.02878	5.5
256.03561	0.2
259.06033	1.3
267.15796	1.0
269.04401	1.7
271.06039	0.3
273.18103	0.2
275.20044	0.2
281.04303	0.3
283.02405	1.4
283.05588	0.3
284.03131	0.5
284.06635	0.4
287.05469	6.6
291.19647	0.3
297.03848	1.4
298.04504	0.3
299.05426	0.9
300.02582	2.2
301.07059	0.4
311.05533	0.3
312.06195	0.9
313.07056	1.0
315.04941	36.5
316.05371	0.5
329.06421	1.0
330.07300	17.4
331.07712	0.3
345.09634	100.0
346.09985	1.6
395.20883	0.2
459.27106	1.2
477.28412	0.8
507.14932	0.4
621.31934	0.5
639.33154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17431	0.2
69.03426	0.2
69.84203	0.4
69.84615	0.5
71.97675	0.2
85.02916	0.2
86.69112	0.2
97.06487	0.2
97.47672	0.2
98.29963	0.2
103.47742	0.2
123.04386	0.2
133.38712	0.2
137.02350	0.2
150.05542	0.2
153.01811	0.9
161.02299	0.2
161.05847	0.2
163.03874	0.9
167.07016	0.7
170.02097	0.2
178.02592	0.4
178.06223	3.8
179.03400	0.4
183.02853	0.2
204.04137	0.4
213.05492	0.3
216.04111	1.0
217.04945	0.5
227.03516	0.2
228.04198	0.2
231.06541	0.5
241.04790	0.8
243.06461	0.4
244.03714	0.8
245.04340	0.3
255.02852	6.9
256.03516	0.2
259.06021	1.5
269.04404	1.9
271.05930	0.4
272.03253	0.3
281.04330	0.3
283.02332	1.4
283.06055	0.5
284.03061	0.5
284.06705	0.4
285.04053	0.2
287.05463	6.8
289.10629	0.2
297.03839	2.0
299.05450	1.1
300.02609	2.2
301.07040	0.3
311.05460	0.4
312.06238	1.1
313.07071	0.9
314.07721	0.2
315.04941	40.4
316.05258	1.1
317.10065	0.2
329.06451	1.0
330.07294	17.0
331.07495	0.5
345.09634	100.0
346.09958	2.9
360.82657	0.2
495.45880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1904
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.30566	0.1
64.56570	0.1
68.99824	0.1
69.03411	0.1
74.09424	0.1
90.43927	0.1
98.20760	0.4
104.14806	0.1
151.00584	0.1
153.01811	0.8
157.81909	0.1
161.54045	0.1
163.03903	0.5
167.07048	0.4
178.02654	0.3
178.06209	2.3
179.03419	0.3
204.04163	0.2
213.05383	0.1
216.04227	0.8
217.04977	0.3
227.03316	0.3
228.04247	0.2
229.24014	0.2
231.06494	0.5
241.05008	0.4
241.24278	0.1
242.06073	0.1
242.24568	0.1
243.06546	0.4
244.03615	0.6
255.02863	4.0
259.06100	0.8
269.04346	1.2
271.06036	0.2
272.03030	0.2
281.04465	0.4
283.02328	1.1
283.05957	0.6
284.03146	0.3
284.06702	0.3
287.05478	4.2
287.08701	0.2
289.10458	0.2
297.03912	1.2
298.04709	0.2
299.05417	0.8
300.02649	1.5
301.07211	0.2
302.07877	0.1
311.05563	0.2
312.06229	1.1
313.07117	0.8
314.07550	0.2
315.04950	30.6
316.05243	0.3
329.06540	0.7
330.07291	17.4
331.07721	0.3
345.09634	100.0
346.09952	1.1
475.90277	0.1
488.74313	0.1
507.14871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1908
Annotation	5-Hydroxy-7,4',5'-trimethoxyisoflavone 3'-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
69.03413	0.2
69.81770	1.4
82.38772	0.2
85.02890	0.2
97.02826	0.3
123.04408	0.5
143.62042	0.2
153.01825	0.7
163.03914	0.6
167.07001	0.6
178.02567	0.4
178.06236	2.9
179.03482	0.3
216.04070	0.4
217.04886	0.5
220.40718	0.2
227.03394	0.3
231.06511	0.6
233.23303	0.2
241.04971	0.4
243.06549	0.5
244.03610	0.6
255.02875	4.6
259.05969	1.1
269.04419	1.7
272.03049	0.3
281.04398	0.5
283.02322	1.5
283.05612	0.4
284.03555	0.3
284.06830	0.6
287.05438	5.1
297.03903	1.6
299.05573	0.7
300.02640	2.1
301.06970	0.4
311.05582	0.3
312.06247	1.0
313.07037	0.7
314.07800	0.3
315.04941	38.1
316.05280	0.7
329.06345	0.8
330.07272	18.7
331.07483	0.4
342.83743	0.2
345.09622	100.0
346.09998	4.3
372.56311	0.2
507.14914	20.6
508.14966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03839	0.2
69.03403	0.2
70.01651	0.3
70.02055	0.6
123.04411	0.2
153.01793	1.1
163.03871	0.6
167.07013	0.6
177.05484	0.2
178.02605	0.3
178.06218	3.2
179.03435	0.4
183.02788	0.2
197.05800	0.2
203.03372	0.2
204.04240	0.2
216.04158	0.9
217.05009	0.4
231.06479	0.6
241.04958	0.5
243.06569	0.4
244.03653	0.7
245.04395	0.3
255.02849	5.1
259.06049	1.1
269.04465	1.5
271.06000	0.3
281.04404	0.3
283.02347	1.5
283.05988	0.6
284.03363	0.3
284.06717	0.6
285.03949	0.2
287.05457	5.7
289.10638	0.2
297.03851	1.4
298.04691	0.3
299.05313	1.0
300.02615	2.0
301.06915	0.5
311.05408	0.3
312.06241	1.1
313.07114	0.9
315.04941	38.0
316.05405	0.5
329.06479	0.8
330.07288	18.9
331.07587	0.7
345.09631	100.0
346.09921	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49482	0.2
53.03902	0.6
54.43297	0.2
55.01826	0.7
55.05502	1.6
57.03392	0.6
58.05434	0.2
58.97709	0.2
65.03897	0.2
67.05492	3.4
69.03410	1.2
69.07053	1.1
70.06540	0.2
71.04960	0.5
79.05476	2.8
81.03407	2.7
81.07045	3.3
83.04971	1.1
83.08617	1.0
85.02843	0.9
85.06494	0.3
91.04952	0.2
91.05469	2.6
93.07032	2.5
95.04904	0.9
95.08596	1.5
97.02877	1.1
97.06469	0.8
97.10110	0.6
99.04422	0.4
103.05405	0.3
105.03357	0.2
105.07022	1.8
105.77782	0.2
107.04902	0.9
107.08579	1.5
109.02850	1.0
109.06440	0.6
109.10124	1.3
111.04366	0.4
117.06947	0.8
119.08565	1.0
121.06422	0.4
121.10116	1.1
123.04408	0.5
123.08047	0.2
123.11671	0.4
125.09560	0.6
127.03857	0.8
129.06927	0.7
131.04887	0.2
131.08536	0.9
133.06354	0.3
133.10059	0.8
135.04396	0.3
135.08032	0.4
135.11606	0.5
137.05940	0.3
137.09531	0.3
141.06895	0.2
143.08501	0.5
145.02788	0.2
145.06438	0.3
145.10114	0.6
147.08018	0.4
147.11632	0.5
149.09567	0.5
149.13191	0.6
153.01759	0.8
153.12767	0.4
155.08559	0.3
157.10040	0.5
159.08005	0.4
159.11629	0.3
161.05977	0.2
163.03838	0.7
163.11136	1.0
167.07033	1.7
167.08417	0.3
169.09995	0.3
170.02100	0.2
173.04343	0.4
173.09537	0.4
175.11150	0.5
177.05408	0.5
178.02605	0.3
178.06233	2.9
181.12236	0.2
185.13123	0.2
189.11124	0.3
191.10651	0.4
193.12202	0.6
195.13757	0.3
204.04102	0.3
209.11667	0.6
211.13234	0.4
213.05418	0.2
213.12700	0.4
213.14734	0.3
215.14270	0.4
216.04099	0.7
217.04919	0.5
227.12730	0.6
229.14491	0.4
229.77582	0.2
231.02936	0.3
231.06470	0.6
231.13837	0.2
241.04877	0.5
243.06462	0.4
244.03612	0.9
245.04510	0.2
255.00131	0.3
255.02856	5.4
259.05975	1.4
267.15909	1.2
269.04410	1.6
269.17462	0.3
271.06082	0.2
272.03046	0.3
281.04373	0.3
283.02298	1.2
283.05820	0.5
283.14981	0.3
284.03262	0.5
284.06558	0.4
287.05457	6.4
297.03848	1.5
299.05505	0.9
300.02655	1.8
301.06915	0.4
311.05417	0.5
312.06369	1.0
313.07086	0.6
315.04932	36.9
316.05286	0.9
329.06445	1.0
330.07275	17.7
331.07675	0.5
345.09631	100.0
346.10052	1.9
367.22946	0.2
385.23608	0.4
391.15411	1.6
424.66922	0.2
441.26169	0.5
450.61792	0.2
459.27353	2.2
477.28223	1.2
495.29498	0.4
507.14630	0.5
621.32788	0.7
639.33771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	5.5
57.61508	1.6
62.59488	1.7
68.18052	1.6
69.03418	4.9
70.59562	6.6
76.14418	1.8
81.03410	2.9
85.02885	10.5
87.04428	2.3
95.04051	1.9
97.02863	7.7
98.21137	4.3
98.97565	7.6
109.02837	4.1
116.98600	6.7
118.01135	8.9
119.01894	12.6
119.04897	3.9
127.03841	2.6
128.98529	2.2
131.01917	5.6
134.99661	2.5
137.05951	38.5
140.39072	1.8
142.01105	3.5
143.01874	9.5
145.03491	4.1
146.99635	2.5
147.04358	10.2
149.64221	1.8
155.01845	5.9
156.02644	5.6
157.03391	2.5
160.02155	10.2
161.02969	14.9
168.02657	4.1
173.02899	11.6
174.03680	2.6
177.00673	3.0
178.01062	2.9
179.06966	2.5
181.03429	8.2
184.02118	3.5
185.02936	3.2
186.03722	4.4
194.04269	2.7
195.05005	20.0
196.02139	13.2
197.02873	4.2
199.04486	4.4
203.04021	3.8
205.03613	3.2
213.05997	3.8
218.04298	5.4
219.01781	4.4
219.04994	27.6
221.04855	11.4
222.03648	5.2
223.04518	8.4
224.05042	2.0
226.03252	2.9
231.04993	6.4
233.06567	3.8
234.03760	2.0
235.04558	4.2
236.05267	8.3
237.02802	7.7
237.06036	31.0
240.04799	6.2
244.04253	98.0
246.03766	7.9
247.04399	6.7
248.05103	2.5
249.06041	8.2
251.07672	4.7
253.04243	2.1
255.07098	3.9
259.04492	7.3
260.05222	2.9
260.07758	3.4
261.06009	16.7
262.05237	14.5
264.04752	23.8
265.05466	3.7
273.05911	3.9
276.04742	2.3
279.04144	3.4
279.07068	25.2
280.07083	2.1
285.06613	2.7
291.07068	8.8
297.08081	5.9
300.04623	3.6
306.05692	2.2
307.06680	15.7
309.08087	6.9
320.07349	3.9
320.97147	2.4
321.08105	17.2
331.06628	2.6
336.06808	6.1
339.09280	3.2
345.09692	5.5
348.02414	3.2
348.06781	68.3
349.07404	7.3
363.09042	20.6
366.07956	13.8
369.10120	2.4
381.10257	71.0
382.10623	2.9
399.11316	100.0
400.11359	1.9
401.10995	1.9
417.12515	14.0
422.13251	3.1
433.09875	3.0
459.13394	2.1
559.16644	4.5
577.17419	5.9
579.15314	7.6
621.16486	2.2
622.32819	2.3
639.17639	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	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25934	0.8
55.64539	0.9
62.06918	0.8
69.40589	7.6
83.82571	0.8
93.07069	1.4
98.21485	1.4
109.10130	1.1
171.54207	0.7
390.18182	1.2
391.19244	2.2
399.16513	0.8
400.16891	1.9
401.17712	0.8
403.19250	2.0
404.20605	1.4
405.20731	5.0
406.21460	5.9
414.18597	1.6
415.19098	2.9
417.21329	1.0
419.22559	1.2
420.23132	3.4
421.23859	7.5
427.19153	1.6
428.19949	3.6
429.20911	9.9
430.21561	2.2
431.18347	1.2
433.19684	1.8
434.24768	1.0
442.21777	1.3
443.22510	5.6
444.23627	4.4
444.28568	1.0
445.20160	2.9
446.20941	1.3
447.17831	1.1
448.22064	0.9
455.18631	1.0
456.19693	1.3
457.23819	3.2
458.25009	6.3
459.21634	8.4
460.22580	5.3
461.19180	5.6
470.20993	1.1
471.22321	1.8
472.22424	9.1
473.23221	3.2
475.21368	2.5
476.22009	8.3
485.23453	14.6
486.20132	1.3
486.24432	2.5
487.21341	1.4
488.22318	3.4
489.22705	1.2
490.23822	1.0
500.21814	1.4
503.24362	23.1
504.24643	0.9
513.22797	4.7
514.23608	2.2
517.25916	10.2
519.23901	1.4
529.26141	1.7
530.22852	1.1
535.26996	31.6
536.27759	2.5
545.25427	84.3
546.25781	5.9
563.26538	6.6
573.24896	21.1
574.25250	1.8
577.28375	1.6
578.28461	1.5
605.27533	69.6
606.27655	4.4
637.30151	100.0
638.30627	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	637.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84361	0.6
53.03925	0.7
55.01877	0.8
55.05490	3.0
57.03428	0.8
66.90794	0.6
67.05489	4.5
69.03423	0.6
69.07049	1.7
69.33228	6.1
79.05477	4.3
81.03429	1.6
81.07043	3.6
83.01330	0.8
83.04956	0.7
83.08617	0.8
91.05474	3.4
93.07029	2.5
95.04947	2.1
95.08607	1.4
98.20731	1.0
105.07006	2.9
107.04929	1.7
107.08582	2.4
109.06514	1.2
109.10159	1.1
119.08590	1.8
123.04367	0.7
129.07042	0.6
131.08574	0.8
133.06406	0.6
133.10165	1.3
133.57378	0.7
135.04416	1.2
135.11703	0.9
145.10133	1.0
147.04343	0.8
149.02335	1.0
151.03888	0.6
151.07471	0.8
153.01826	0.7
153.05482	0.8
161.02248	0.7
161.05956	0.7
163.03877	6.2
164.04694	0.8
165.01778	5.0
165.02965	0.6
167.07034	1.7
169.64270	0.6
171.11641	0.5
173.05972	0.6
177.01866	1.4
177.05472	1.5
178.06230	38.2
179.03424	0.8
179.06938	1.5
181.08559	1.2
183.02853	6.2
183.04274	0.8
189.01778	3.3
191.03354	3.2
193.05002	1.2
193.08679	0.7
199.07683	0.7
203.03395	0.9
205.04996	2.5
207.02861	1.6
215.07039	1.0
217.04996	1.4
228.04041	0.7
229.05051	1.4
231.06548	1.0
233.08118	1.5
239.06924	0.7
239.45270	0.7
241.05016	0.8
241.08629	0.7
243.06447	1.4
245.08124	0.8
253.04948	0.8
255.02948	1.8
255.06511	0.8
269.04663	0.6
271.06088	1.9
281.04553	1.5
283.05988	1.9
287.05487	2.0
296.06912	1.3
297.04163	0.7
297.07703	1.4
299.05542	3.5
299.09134	2.1
300.02710	1.3
309.04016	1.4
311.05582	2.2
312.06125	0.9
313.07135	1.6
315.04913	11.9
315.08502	1.1
324.06335	1.9
325.07263	3.5
326.07828	1.8
327.05023	9.2
327.08621	2.0
328.05399	0.8
329.06775	1.0
329.10297	2.0
330.07297	5.4
330.10953	0.9
335.08987	0.8
337.06909	1.4
339.05029	2.5
341.06335	3.0
342.07330	4.3
343.08212	1.5
344.08707	1.0
345.09637	22.1
349.07083	0.6
351.04974	0.9
353.06680	1.6
355.08252	0.9
356.08881	0.8
357.09631	45.3
358.10419	12.2
365.06375	0.9
367.08130	2.2
367.12079	1.0
369.09570	3.9
371.11395	2.5
381.09628	1.9
382.10464	1.4
383.11142	1.4
384.08057	1.0
385.08997	3.1
395.11377	2.3
397.13037	2.9
409.13156	0.9
421.13004	2.0
425.16290	4.0
427.17865	0.9
435.14362	3.9
437.16293	0.9
439.13879	5.3
449.15735	0.8
451.17685	1.4
453.15344	1.4
465.19113	9.5
493.18405	1.0
509.21619	1.6
521.21875	3.0
533.21619	1.0
539.22772	1.2
551.23004	0.7
601.27979	3.2
619.28931	54.7
620.29236	3.7
637.29993	100.0
638.30438	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	637.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.5
55.01831	1.1
55.05450	4.1
57.03408	0.6
60.40932	0.4
65.03886	0.7
67.05489	5.7
69.03389	0.8
69.07050	2.5
71.78426	0.5
79.05478	8.7
81.03349	1.8
81.07037	5.3
83.04891	1.8
83.08595	2.3
85.02847	0.7
91.05470	7.5
93.07028	5.1
95.04960	2.5
95.08590	2.7
97.06440	0.7
97.10093	1.8
105.07013	5.6
107.04861	1.3
107.08576	13.0
107.09291	0.5
109.06451	1.4
109.10062	1.2
117.06923	1.7
119.08566	3.1
121.10081	1.2
123.04367	0.8
125.09564	1.5
127.03852	0.5
128.06110	0.4
129.06941	1.0
131.08507	2.0
133.10106	2.9
135.11592	1.0
143.08502	1.0
145.10011	1.8
147.11667	2.3
148.04977	0.5
149.05916	0.5
149.09557	0.8
149.13135	0.5
153.01740	1.6
157.10065	0.6
159.07846	0.5
159.11583	1.3
161.05948	0.9
161.09573	0.5
162.06773	0.5
163.03860	2.0
165.01764	1.3
167.06914	1.2
167.08313	0.5
171.11617	0.4
173.11633	0.7
175.03847	0.5
177.05420	0.8
178.02559	0.6
178.06212	10.8
179.03293	0.5
181.08604	0.6
183.02786	1.5
183.11609	0.6
189.11130	0.9
191.03287	1.6
195.06410	0.7
195.13614	0.4
204.04192	0.5
205.04817	1.6
207.11571	0.5
207.13647	0.7
213.05367	0.5
216.04182	1.9
217.04929	1.3
231.02840	0.8
231.06465	1.2
241.04910	0.8
242.05838	0.4
243.06276	0.6
244.03642	1.2
255.02850	7.2
259.05890	2.0
269.04504	2.3
271.05930	0.8
272.02948	0.5
273.07510	0.6
275.20029	4.5
281.04446	0.6
281.17438	1.3
283.02286	2.5
283.05612	0.8
284.03131	0.9
285.03943	0.5
285.07639	0.6
287.05469	8.9
287.08786	1.0
291.06439	0.4
295.05948	0.5
296.06445	0.6
297.03931	2.7
299.05347	1.8
300.02667	2.9
301.07092	0.8
310.04623	0.5
311.05371	1.7
312.06186	1.5
313.06906	1.5
315.04938	47.7
316.05219	0.8
325.06848	0.6
326.07782	0.5
327.05014	2.3
329.06665	1.3
330.07291	20.5
331.07605	0.5
337.06970	0.7
339.04910	2.3
341.06433	1.0
342.07425	0.6
344.08771	0.8
345.09622	100.0
346.09985	1.7
353.06409	0.5
354.07324	0.8
357.09595	6.9
358.10294	1.1
367.08240	2.1
369.09689	4.0
381.09595	0.6
382.10074	0.6
383.11124	0.6
397.12830	1.9
411.14368	0.6
451.17572	1.1
465.19434	0.7
467.00372	0.5
475.30624	1.9
479.16293	0.5
493.18054	0.6
509.21790	3.9
527.22522	0.7
601.28046	2.4
619.28857	24.9
620.29230	1.3
637.29980	37.5
637.38934	1.3
638.29999	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	637.2646
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.24117	1.1
53.03940	2.2
55.01873	1.1
62.56506	1.1
67.05477	3.2
70.02543	6.2
74.93703	1.1
79.05488	3.8
80.00028	1.2
81.07059	2.2
91.05460	3.0
93.07021	2.0
95.04948	2.5
95.08600	1.3
98.21367	1.7
104.04977	2.7
105.06998	1.4
106.06539	3.5
120.08054	1.8
130.39897	1.1
134.06006	16.2
150.20056	1.3
152.03369	1.8
152.07019	2.1
157.45879	1.1
160.03882	1.5
172.03935	3.0
178.05002	17.3
182.09761	1.3
194.08054	1.7
203.84953	1.3
204.06467	5.8
211.12321	1.3
223.08675	2.1
225.10178	2.6
226.10898	1.5
227.11816	1.8
235.08589	3.5
237.10155	4.7
239.08110	1.3
239.11705	1.4
249.10074	5.9
250.11040	1.7
251.08128	5.1
251.11581	2.1
253.13416	3.4
263.08014	2.4
265.09592	2.1
267.11298	2.2
277.09705	4.9
279.07651	1.4
279.11249	3.7
281.09167	1.3
281.12540	1.8
285.12573	1.5
295.10541	1.8
297.12466	1.6
303.22891	1.3
305.09247	1.7
309.12305	2.7
311.10376	1.8
312.11218	1.4
314.12817	1.8
315.13788	1.7
324.11176	2.3
325.11737	3.0
326.12985	3.7
328.14331	3.3
330.15833	2.9
336.68393	1.4
337.11795	14.2
338.12677	2.6
339.13651	3.0
340.10995	2.9
340.14374	5.1
341.15082	1.8
352.10712	2.0
353.11548	2.2
354.12296	4.5
354.15970	3.0
355.13058	2.0
356.13840	2.6
358.15329	4.2
367.12939	1.5
368.13940	4.0
370.15622	1.9
382.15674	2.6
384.17358	2.3
389.17755	1.4
394.15491	1.6
395.12268	1.3
396.13315	3.3
403.15756	1.6
405.16858	1.6
410.15042	4.2
428.16095	2.8
438.14349	1.4
442.17355	3.9
443.46027	1.7
444.19070	4.5
447.17923	3.0
449.19705	1.7
456.15509	2.8
461.19434	3.8
463.21237	2.8
470.17062	8.1
472.19031	2.1
475.21658	2.8
488.17786	1.6
503.20773	6.2
504.20883	3.3
517.22034	3.4
518.19904	1.3
530.18903	3.2
531.20007	2.3
535.23376	26.5
545.21753	2.9
549.24878	2.4
561.24817	2.0
563.22583	4.0
573.20813	2.3
577.24371	39.9
595.25397	10.3
605.23834	59.2
606.23547	3.3
619.25110	1.7
637.26392	100.0
638.26813	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47438	0.5
53.03924	1.1
55.01844	1.2
55.05503	3.5
57.03427	0.8
57.93591	0.5
63.16038	0.6
65.03899	0.6
66.32266	0.6
67.05497	6.5
68.99797	0.9
69.03412	1.3
69.07049	2.1
71.04986	0.9
71.59002	0.7
79.05487	7.0
81.03407	2.8
81.07049	7.1
83.04977	1.5
83.08595	1.7
85.02904	0.9
91.05453	5.9
93.07040	5.6
95.04961	2.4
95.08578	3.2
97.02894	0.7
97.06521	0.6
105.07019	5.6
107.04942	4.2
107.08563	2.7
109.02858	1.1
109.06503	1.0
109.10172	0.9
116.65123	0.6
117.06996	2.4
119.08536	3.1
121.06531	1.0
121.10138	1.1
123.04391	0.7
123.08068	0.7
125.05891	0.6
125.09592	0.9
129.06973	2.5
131.08562	2.2
133.10110	2.5
134.03596	0.6
135.04399	2.9
135.11749	0.8
137.05983	0.7
143.08478	0.9
144.09152	0.7
145.06502	1.2
145.10104	1.5
147.04382	0.9
147.08098	0.7
147.11684	1.7
149.05957	1.8
151.07556	2.0
153.01854	0.8
153.05508	0.6
157.10114	0.6
159.11678	1.0
161.05940	1.5
161.13289	0.6
162.06699	0.8
163.03885	13.2
164.04729	0.5
165.01814	2.9
165.09126	0.6
167.03427	0.8
167.07033	2.1
171.11697	1.0
175.03905	0.7
177.01782	1.3
177.05479	1.9
177.12860	0.7
178.06227	55.8
179.03383	1.0
179.06720	1.2
181.08563	1.8
183.02901	3.3
183.04285	0.7
185.05937	0.6
187.07559	0.7
189.01773	3.1
189.05553	0.7
191.03369	4.6
191.06987	1.2
193.05032	0.8
197.06120	0.7
199.07584	0.8
201.05438	1.2
203.03372	0.9
205.04970	4.1
207.02968	2.1
207.13797	0.7
213.05495	0.7
217.04903	2.8
225.05452	1.2
225.09131	0.6
227.03336	1.1
227.07002	1.5
228.04196	0.7
229.04977	2.4
231.06479	0.8
239.06972	1.4
241.04953	1.9
241.08592	1.2
243.06558	2.5
245.08156	0.6
253.04977	1.9
255.06451	2.4
257.08051	0.9
265.04935	0.7
265.08618	0.6
266.05789	0.8
267.02979	0.7
267.06470	1.2
268.07248	0.9
269.08130	2.1
270.08847	1.3
271.06067	3.2
271.09186	0.7
275.20306	0.7
281.04407	1.6
281.07974	0.6
281.17511	1.3
282.08911	0.8
283.09650	1.4
285.03998	0.7
295.06128	1.3
295.09494	0.8
296.06845	1.4
297.04025	0.8
297.07608	1.7
297.11133	0.8
299.05496	3.1
307.05963	0.9
307.09525	0.7
309.03958	1.7
311.05447	4.1
313.07135	1.7
314.07819	0.9
315.05020	2.6
319.09485	0.8
321.07840	0.9
323.05447	1.1
323.08859	0.9
324.06253	1.5
325.07129	4.3
326.07849	2.5
327.04984	13.3
327.08490	1.2
329.10159	1.6
330.07495	1.0
337.07062	0.6
337.10818	0.8
339.04962	2.4
341.06674	3.8
342.07272	8.5
345.09726	3.4
349.06985	1.2
349.10843	0.6
353.06403	1.4
353.10190	1.3
355.08035	1.9
356.08859	0.9
357.09628	66.1
358.10095	2.0
363.08951	1.1
367.08041	2.6
369.09561	3.9
369.13559	0.5
371.11258	2.3
375.08459	0.9
381.09598	7.9
382.10382	1.4
383.11401	1.4
385.12695	0.7
391.07928	3.3
395.11258	1.4
396.12085	1.9
405.09729	1.0
407.11237	0.7
409.12738	1.6
411.14301	15.3
413.21628	0.9
419.11258	1.6
421.12741	6.4
422.13354	1.0
423.14362	1.9
433.12759	1.3
435.14359	2.4
437.15714	1.2
445.12524	1.4
447.14359	1.6
449.15860	1.5
461.15720	0.9
463.17252	0.7
465.19199	2.7
475.30576	2.8
507.19797	1.3
521.21924	3.0
537.20734	0.7
539.23029	2.9
543.23737	2.2
571.23431	1.5
573.28149	1.1
601.27899	42.9
602.27954	1.6
619.28882	100.0
620.29211	3.8
637.29968	36.5
637.39105	1.8
638.29736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
55.52278	1.3
57.07043	1.5
65.37226	1.3
67.05480	2.4
69.07066	1.8
69.67786	3.5
69.68208	5.8
81.07028	1.8
91.05479	2.6
93.07040	1.5
94.06525	2.2
95.08560	2.0
105.07037	1.2
108.08121	1.8
116.65742	1.3
146.06055	1.2
161.27768	1.2
162.05475	2.5
167.07291	1.7
168.06802	2.0
168.08092	3.0
180.08090	1.8
181.07510	3.5
181.08868	2.1
182.08388	3.5
183.09134	1.5
193.07642	5.7
194.08374	4.3
195.09097	14.2
196.09822	7.2
196.11493	1.5
197.10649	6.8
207.09117	10.1
208.09859	10.0
209.07083	3.8
209.10660	16.1
210.07841	2.1
210.11508	12.3
211.12259	4.5
212.09454	1.5
212.13066	3.0
219.09134	2.7
221.07051	7.3
221.10599	1.4
222.07854	3.6
222.11557	1.9
223.08667	17.8
223.12218	12.7
224.09373	28.2
224.13068	5.1
225.10272	8.7
225.13788	12.2
235.08603	14.6
236.09363	6.9
237.06424	2.1
237.10161	9.2
238.10948	5.3
239.08119	2.8
239.11774	1.8
239.15298	1.5
241.09714	2.1
249.06551	2.0
249.10373	1.7
250.07303	2.8
251.08151	8.0
251.11772	8.7
252.08899	2.6
253.09764	2.2
253.10512	2.4
253.13338	23.9
255.11206	3.2
256.12033	7.1
263.08130	10.1
264.08975	7.6
265.05936	1.7
265.09671	5.5
266.06714	2.2
266.10474	4.4
267.07507	3.0
269.09210	3.3
269.12912	2.0
271.14264	1.7
272.07782	3.0
275.08231	1.6
277.06070	1.4
279.07669	4.4
279.11255	7.7
281.09113	6.7
281.12741	2.3
282.09967	2.5
283.10593	2.3
291.07623	9.8
293.09213	3.1
295.07086	1.5
297.09012	1.8
297.12259	5.1
300.10962	2.8
308.07965	1.7
309.08728	3.0
310.09485	7.4
311.10379	1.6
311.13898	1.4
319.07028	2.1
323.10101	2.4
325.11722	5.1
327.09927	1.4
351.09729	22.2
369.06400	2.5
369.10773	34.1
431.14465	1.9
470.16876	2.3
503.20297	2.2
517.22150	6.9
544.98871	1.4
545.21912	2.3
573.20813	5.1
577.24377	44.5
578.24506	2.3
605.23877	100.0
606.24506	6.2
623.24725	2.4
637.26526	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2646
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
70.37529	0.3
70.75507	0.6
70.75895	0.8
77.09265	0.4
110.67390	0.4
119.35599	0.4
182.09666	0.4
187.12921	0.4
195.68616	0.3
209.10765	0.3
284.11792	0.4
298.13052	0.4
305.04291	0.3
350.16611	0.5
363.16376	0.6
374.16583	0.5
375.17029	0.5
376.17743	0.6
377.17542	0.8
378.18243	1.0
384.14554	0.6
385.14667	1.0
386.15405	1.0
387.15945	1.2
388.17773	0.4
391.19284	1.6
392.19757	1.1
393.20709	2.2
398.15707	0.6
399.16235	1.8
400.16769	2.4
401.17786	3.4
402.18512	1.3
403.19250	1.0
405.20782	1.0
406.21451	0.5
407.22281	2.4
411.15704	0.4
412.17224	0.5
413.17703	2.8
414.18536	4.4
415.19305	7.4
416.19904	1.5
417.20728	1.0
419.18536	0.8
421.20343	2.3
425.17776	1.6
427.19165	1.4
428.20517	3.5
429.21213	7.4
430.21964	3.0
431.18396	1.1
435.21603	2.0
436.22488	0.7
439.19055	0.8
441.17258	1.1
442.17816	1.5
443.18359	3.6
443.22711	2.8
444.18579	4.7
445.20322	2.1
446.20947	0.5
447.22318	0.7
455.18680	1.0
456.19586	1.5
457.20572	5.0
458.21161	4.0
459.22644	0.5
461.19547	0.6
469.16431	0.4
470.17249	0.6
471.22281	6.9
472.23123	5.1
473.19394	4.1
474.20395	1.2
484.18890	1.1
485.20099	2.8
486.20465	6.2
487.21432	3.4
488.22052	1.1
489.22580	1.5
490.19568	2.7
491.20319	0.9
498.20154	0.6
499.21274	9.9
500.22617	2.8
501.19211	0.6
502.19879	1.1
503.24792	3.5
504.22409	0.4
513.19080	1.4
514.19897	1.0
516.21545	1.1
517.22369	3.7
521.25549	0.6
527.20837	3.0
528.21283	1.0
531.23865	9.9
532.24365	0.7
541.21881	0.6
543.23822	1.5
544.20758	0.6
545.21997	1.0
549.24701	0.8
559.23340	100.0
560.23511	4.3
587.22839	16.6
588.23273	0.8
605.23730	0.8
619.25415	91.3
620.25720	5.7
637.26331	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	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
67.05492	2.1
69.07054	1.2
69.33450	4.7
69.33865	2.1
79.05477	1.3
81.07049	1.5
83.08580	0.9
91.05477	1.3
93.07046	1.0
95.04974	0.9
95.08586	1.4
98.21492	1.4
105.06983	1.2
119.08583	0.8
121.10165	0.8
180.08241	0.6
216.73735	0.7
220.86128	0.7
232.45706	0.7
320.11615	0.7
346.79642	0.9
355.95065	0.7
373.15259	1.0
375.16620	0.9
377.17624	3.2
377.52185	0.6
378.18588	1.7
385.14343	0.9
387.16113	1.6
388.17508	0.8
389.17889	0.8
390.18338	2.0
391.19101	4.2
392.19897	2.2
393.20660	4.2
399.16229	2.8
400.16940	1.7
401.17740	3.5
402.18692	0.8
405.20752	2.1
406.21667	2.0
407.22409	6.2
408.23239	0.9
411.16193	0.8
413.17715	2.9
414.18448	3.0
415.19373	7.1
416.20502	1.4
417.16385	1.0
417.20898	2.2
419.18521	1.6
420.19156	1.0
421.19983	5.9
427.19107	1.6
428.19974	2.2
429.21100	7.6
430.21576	2.4
431.18710	1.6
433.20740	1.2
434.21381	1.2
435.21622	6.5
436.22440	1.1
439.18982	0.8
440.19855	0.8
441.17212	1.5
442.17651	0.9
443.17441	4.1
443.22824	2.4
444.18536	4.7
445.20337	2.3
447.18008	2.6
456.20004	0.8
457.20911	4.2
458.21277	4.5
459.18259	2.1
461.19608	3.0
462.19684	1.0
469.16440	1.1
471.22220	7.5
472.23126	4.3
473.19498	5.1
474.20364	3.0
475.17035	1.2
475.21701	1.0
476.18051	1.0
485.19943	3.4
486.20328	5.8
487.21155	2.4
488.21954	1.2
489.18857	2.1
489.23154	3.7
490.19223	5.5
491.20380	1.5
499.21368	9.6
500.22864	3.4
501.22388	2.3
502.19809	0.9
503.24225	3.1
511.20920	1.1
513.19110	6.7
514.19690	1.2
516.21704	2.1
517.22302	13.7
518.22284	1.0
521.25391	2.3
527.20355	1.8
528.21381	0.8
529.22351	2.3
531.24243	11.8
535.22906	0.8
543.23804	1.3
545.21606	1.3
549.25098	6.9
559.23346	73.8
560.23413	3.0
577.24548	3.1
587.22906	13.6
591.25861	6.3
605.23730	9.1
609.26776	1.5
619.25427	69.7
620.25690	3.2
637.26440	100.0
638.26495	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	637.2645
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.07007	0.4
54.35476	0.5
55.05513	0.5
58.89348	0.3
62.30120	0.3
67.05486	1.4
69.07023	0.4
70.01165	0.9
70.01561	0.7
79.05484	0.4
81.07059	1.4
86.23955	0.3
91.05480	0.9
93.07017	0.8
95.08596	0.4
97.08591	0.4
99.08055	0.4
105.07027	0.8
106.06509	0.4
117.07005	0.6
129.89758	0.4
131.08582	0.5
133.10112	0.7
145.10062	0.4
176.13838	0.4
209.10751	0.5
322.13303	0.6
372.63159	0.4
373.14557	0.7
374.15289	0.5
375.15994	0.6
387.16101	1.2
388.17056	0.6
389.17758	2.1
390.18494	0.6
391.19141	0.6
400.17523	0.4
401.17694	1.8
402.18268	1.3
403.19449	2.7
404.20187	0.8
405.20587	1.1
415.15430	1.2
415.19949	0.5
416.15634	0.5
416.20450	0.8
417.17032	2.2
417.20990	1.6
418.21982	0.6
419.22278	3.3
429.17099	1.5
430.17712	1.1
431.18085	3.1
432.19376	0.8
433.20651	0.9
443.18674	0.7
444.19449	0.8
445.19867	4.5
446.21127	2.9
447.22382	2.3
449.19876	0.8
457.16711	1.1
459.22495	0.8
460.22833	0.4
461.15021	2.1
462.16681	0.9
463.21570	4.3
475.16818	2.0
476.17783	1.8
477.19153	1.3
489.18927	2.5
490.19843	9.0
491.20621	10.5
492.20831	0.5
502.19409	0.5
503.20837	4.0
504.21600	1.0
517.22363	2.7
518.22772	0.5
533.25494	5.5
535.19739	1.2
545.21429	1.0
549.24200	1.6
562.22339	0.5
577.24396	27.4
578.24542	1.2
593.27441	1.3
605.23828	1.1
609.26965	0.4
619.25568	0.4
637.26471	100.0
638.26758	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	636.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
67.05471	1.1
69.07079	0.3
69.43064	0.3
71.17726	0.8
79.05471	0.6
81.07040	0.8
91.05444	0.5
93.07017	0.6
95.08585	0.5
97.54499	0.3
98.98461	2.1
105.07029	0.3
114.15610	0.3
118.06511	1.1
121.10087	0.4
124.99979	6.2
132.08031	0.5
138.08997	0.3
139.65479	0.3
144.08046	7.2
146.09666	0.4
147.11685	0.4
152.33220	0.4
158.09628	3.3
159.10408	1.5
160.11232	0.4
168.95697	0.3
172.11183	2.2
176.14317	10.4
186.12752	0.3
202.15869	83.3
203.16211	1.7
220.16911	9.8
300.13538	100.0
301.13748	1.6
303.46854	0.3
618.38824	1.3
636.40295	2.4
637.26587	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	637.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
69.03385	0.3
70.17738	0.7
79.05462	0.3
85.02844	0.2
88.86467	0.2
91.05440	0.3
93.06961	0.4
97.02856	0.4
97.06501	0.4
99.80201	0.2
107.01275	0.4
107.04916	0.7
109.02818	0.2
117.77090	0.2
121.02955	0.2
123.04405	0.3
125.02329	0.4
131.04912	0.2
135.04399	0.6
137.02290	0.9
145.02792	0.3
149.02367	0.3
151.03899	0.2
151.07539	0.2
153.01781	1.1
155.03282	0.3
163.03917	1.7
164.04601	0.4
165.05440	0.3
167.07021	2.0
177.05453	0.7
178.02562	0.3
178.06238	7.8
179.06886	0.5
181.01308	0.8
181.04900	0.7
183.02794	0.5
185.00800	0.3
196.03658	2.7
197.04468	1.2
197.05974	0.3
203.24911	0.2
205.04881	0.5
214.04672	0.8
215.07080	0.3
223.05905	0.2
229.04877	0.3
241.08583	0.3
243.06554	0.6
256.03793	0.3
257.08115	0.3
260.06793	2.0
267.02979	0.3
269.08167	0.7
270.05212	0.5
271.05984	1.2
281.04248	0.3
285.07547	0.7
287.08969	0.5
288.06226	1.0
297.07507	0.4
298.04712	0.8
299.05496	3.5
300.06229	0.7
300.09833	0.3
301.03473	0.4
303.08447	1.4
313.03705	0.3
313.06873	1.2
315.04974	0.9
315.08527	0.4
316.05743	0.8
325.07169	0.5
326.04153	0.7
327.04865	0.3
327.08435	0.4
328.05862	0.5
328.09402	1.2
329.02875	0.4
329.06613	0.3
331.08066	6.4
333.13174	0.4
341.06577	1.4
342.07437	0.3
343.05093	1.2
343.07468	1.3
344.05322	2.3
345.09634	1.2
346.10410	0.3
356.08948	1.8
357.09628	0.8
358.06723	0.6
359.07578	35.8
360.08023	1.4
373.09174	3.3
374.09927	12.8
375.10153	0.5
389.12268	100.0
390.12604	3.4
619.13171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44801	1.7
53.03933	4.2
55.01865	4.2
55.05507	20.0
57.03426	7.8
57.03696	1.8
57.07075	2.6
59.04990	4.2
65.03934	3.1
67.05497	100.0
69.03419	35.7
69.07053	11.7
71.05000	4.0
71.58372	3.5
79.05481	31.1
81.03403	25.4
81.06564	2.4
81.07044	46.2
83.04972	6.8
83.08602	7.9
85.02891	4.4
85.06559	4.1
87.04468	3.5
91.05467	29.9
93.07032	33.9
95.04945	12.8
95.08598	26.6
97.02885	4.1
97.06496	4.0
97.10154	8.0
99.04480	3.8
103.05412	2.1
105.07024	28.1
107.04955	3.6
107.08585	22.9
109.02866	5.1
109.06498	7.1
109.10145	50.1
111.04403	4.9
111.08047	5.0
117.06982	12.1
119.08581	26.5
120.08093	20.8
121.06475	2.2
121.10129	15.2
123.08049	6.8
123.11692	3.1
125.09582	3.8
127.03881	3.9
128.06197	2.5
129.06990	7.9
131.08554	17.6
133.06474	3.6
133.10109	14.4
135.08076	6.3
135.11673	8.4
137.09581	4.8
139.07516	2.6
141.07014	2.1
143.08565	8.1
145.06450	2.7
145.10101	12.1
147.08078	3.5
147.11719	9.6
149.09555	5.4
149.13303	1.9
151.07602	2.4
153.09065	2.6
155.08546	5.5
157.10091	9.3
159.11697	11.1
161.09578	5.8
161.13260	4.6
163.11163	2.7
165.09155	2.9
169.10068	3.8
171.11705	6.0
173.09572	3.4
173.11713	19.4
173.13135	4.5
175.11212	3.9
177.12759	3.0
181.10150	2.7
183.11722	4.1
185.13243	3.9
187.11115	2.9
187.14787	3.8
189.11165	4.9
189.12672	2.6
189.16341	2.4
191.14369	2.6
197.13286	4.1
199.11092	3.4
199.14908	2.8
201.12755	2.3
203.14182	2.0
207.11394	2.7
209.13391	3.5
221.15509	2.3
223.14864	2.1
223.92456	1.9
229.14273	14.7
229.16110	1.7
259.20520	3.2
277.21494	3.8
301.21600	9.0
315.23099	2.4
327.23083	2.7
341.24933	2.8
351.23004	4.7
369.24106	8.3
387.25162	4.5
443.27972	3.7
461.28845	6.7
476.56113	2.4
547.82996	2.0
597.37457	4.8
615.39325	5.8
633.39764	42.8
634.40515	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	633.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03708	2.4
53.03939	20.0
55.01864	15.4
55.05507	2.8
57.03427	11.9
61.02909	7.9
68.99777	7.7
69.03420	72.2
69.07051	2.3
70.06580	8.3
71.04984	9.0
71.65874	2.5
71.66344	1.9
73.02902	13.8
79.05485	17.4
81.02940	3.7
81.03407	71.1
81.07043	5.6
83.08598	2.9
85.02895	99.4
87.00818	45.7
87.04439	2.2
91.03938	2.8
91.05461	8.0
93.07030	4.1
94.06540	3.0
95.04971	5.2
95.08585	4.0
97.02882	45.2
97.03478	3.8
97.06515	7.3
98.86152	1.9
99.04430	26.1
105.01857	30.1
105.07001	10.9
107.04942	27.8
107.08577	3.6
109.02866	68.0
109.06553	2.4
111.08069	1.7
115.05380	2.1
117.01836	6.6
119.08556	2.4
121.06541	2.2
121.10155	3.4
124.05186	7.1
125.05974	5.6
127.03899	94.4
128.04227	1.8
128.50801	1.9
129.01808	5.4
131.08597	1.9
133.06474	5.8
137.05931	2.2
145.02850	3.4
145.04939	29.1
145.06169	2.5
145.06374	1.8
145.10097	3.4
147.02896	5.9
147.04372	9.4
147.11624	2.3
153.05426	2.3
159.02866	44.5
161.05954	7.8
163.03911	2.6
163.07536	10.5
165.01854	3.2
167.07019	100.0
173.05908	2.3
175.07472	1.9
177.05447	6.1
177.09062	4.0
182.34045	1.9
187.07500	4.0
189.03838	3.0
189.09114	6.4
193.08554	5.3
205.08575	52.9
213.03828	3.6
213.05556	2.2
217.08447	1.9
231.04871	13.2
231.10092	3.8
247.09720	2.9
301.03717	2.2
309.07547	3.7
313.10718	4.4
315.04861	4.5
317.52490	1.8
329.06650	9.5
329.10202	2.1
331.08044	6.3
345.09521	8.6
367.11560	7.3
369.16898	12.4
371.11209	2.4
385.12354	3.8
385.16632	3.9
492.21082	3.4
500.96481	2.0
519.12958	3.3
587.15460	2.9
615.14832	7.5
633.15924	13.4
633.30273	1.9
634.16266	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	633.398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	1.0
53.03934	4.0
55.01862	3.7
55.05506	19.5
57.03431	7.4
57.07051	3.1
59.04980	4.0
65.03947	4.9
67.05495	100.0
69.03423	32.9
69.07057	11.8
71.01338	1.6
71.04975	3.9
79.05482	32.2
80.69962	1.2
81.03406	24.5
81.07045	43.6
83.04961	8.4
83.08607	11.9
84.07138	0.9
85.02898	4.7
85.06551	3.5
91.05466	34.8
93.07035	33.6
93.07484	0.6
95.04951	10.8
95.08595	31.1
95.09200	1.8
97.02872	4.8
97.06519	3.4
97.10139	6.0
99.04440	2.8
103.05455	1.9
105.07019	27.1
105.07720	1.9
107.04958	4.6
107.08578	21.2
107.09246	1.8
109.02873	3.7
109.06506	6.7
109.10136	50.2
110.10542	0.9
111.04404	5.1
111.08068	4.4
111.35983	0.9
112.62729	1.0
115.05419	2.8
117.06990	11.4
119.08563	23.2
121.06488	4.2
121.10133	14.1
123.04442	1.9
123.08054	4.3
123.11697	3.3
125.09635	5.0
127.03889	4.0
128.06223	3.3
129.05501	1.2
129.06967	8.2
131.08545	17.4
133.06456	3.6
133.10106	14.7
135.08060	4.7
135.11671	10.4
137.05988	1.8
137.09583	6.2
139.11143	1.5
141.06982	3.7
142.07678	1.2
143.08539	9.3
145.06461	3.0
145.10089	13.6
147.08043	3.7
147.11685	8.0
149.09619	4.4
149.13251	4.4
151.07533	3.6
151.11143	2.4
153.09027	1.0
155.08470	4.8
155.10674	2.7
156.09262	1.6
157.06441	1.0
157.10138	7.6
159.08058	3.2
159.11670	9.4
161.09647	3.6
161.13268	4.1
163.11183	3.5
165.07004	1.4
165.09128	1.4
165.12688	1.5
167.08487	2.3
169.06381	1.2
169.10114	4.7
171.08115	2.4
171.10271	1.5
171.11646	8.2
173.09587	3.4
173.11737	14.7
173.13248	6.0
175.11168	3.0
175.14838	1.5
177.12779	1.9
180.09264	1.7
181.10083	2.7
183.08066	1.0
183.11717	4.4
185.09593	2.5
185.13254	3.8
187.11211	2.8
187.14732	1.6
189.09181	0.9
189.11198	2.5
189.12759	1.8
191.10745	2.0
193.10263	1.0
193.12209	1.6
194.10904	1.1
195.11687	2.5
197.09703	1.0
197.13307	2.1
199.11121	2.2
199.14850	3.5
201.12680	2.4
203.14357	1.5
207.11780	1.0
207.13779	1.2
209.11571	1.1
209.13298	2.9
209.15288	1.1
211.11240	1.3
211.14880	2.0
213.12846	1.8
215.14423	1.5
219.13931	1.2
221.15298	2.4
223.14792	2.5
225.12608	1.3
227.12727	1.5
229.12073	0.9
229.14250	14.2
233.15335	1.2
245.13680	1.4
253.15987	1.0
255.13905	1.0
255.21147	1.4
259.20532	2.5
261.22177	1.7
273.22113	1.8
276.22067	1.1
277.21658	2.3
299.14819	2.3
299.23782	1.1
301.21579	5.0
303.23123	1.2
313.21530	1.1
315.23071	2.3
319.22556	2.5
323.23425	1.1
327.22852	2.0
333.24225	1.5
339.23444	1.0
341.24731	2.4
345.24081	1.6
351.23196	3.8
353.24860	2.4
369.06271	1.2
369.24274	8.3
371.25839	1.2
387.25342	5.5
393.26755	1.1
405.26614	1.4
425.26727	1.0
443.27802	2.0
461.28912	5.4
472.40265	1.1
489.35837	1.9
539.22974	1.0
579.36395	1.3
585.38025	1.7
597.37347	5.6
615.38904	7.3
633.39905	36.9
634.40131	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	633.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03936	5.1
55.01861	4.2
55.05505	24.1
57.03424	6.7
57.07054	2.8
59.04977	3.3
65.03926	4.3
66.37241	0.9
67.05494	100.0
67.58405	0.9
68.05840	1.1
69.03419	33.4
69.07059	13.6
71.01342	1.4
71.04982	5.0
71.08602	1.1
79.05482	32.5
81.03406	22.9
81.07045	42.4
83.04968	8.6
83.08603	10.4
85.02889	5.5
85.06525	3.5
87.04463	1.5
91.05466	35.4
93.07030	39.0
93.63993	1.2
95.04957	12.6
95.08595	28.6
97.02879	4.0
97.06506	5.0
97.10150	5.4
99.04432	3.7
103.05496	1.1
105.04483	1.1
105.07010	23.4
107.04944	3.6
107.08581	22.1
109.02862	5.7
109.06508	4.5
109.10139	57.2
111.04446	6.6
111.08073	5.6
113.05965	0.9
114.60970	0.9
115.05415	2.4
117.06996	14.5
119.08565	23.3
121.06484	4.0
121.10118	14.9
123.04427	1.2
123.08051	3.9
123.11694	2.7
125.09627	5.3
127.03918	4.7
128.06158	3.1
129.06970	8.6
131.04915	1.6
131.08548	19.1
133.06496	3.7
133.10100	14.5
135.08043	4.4
135.11659	9.2
137.05977	1.0
137.09590	5.7
139.11159	2.5
141.06978	2.4
142.07799	2.6
143.08540	9.4
145.06441	3.3
145.10088	14.4
147.08041	4.4
147.11673	8.5
149.09616	3.8
149.13248	4.3
151.07504	2.3
151.11122	1.6
155.08560	4.4
155.10657	2.5
157.06458	1.7
157.10097	7.5
157.12178	1.1
159.08000	2.8
159.11678	9.5
161.09595	4.6
161.13252	4.5
163.11226	2.9
163.14772	1.7
167.08525	2.3
169.10139	4.4
171.07991	1.5
171.10368	1.5
171.11647	5.9
173.09587	3.2
173.11723	17.0
173.13260	6.5
175.11223	3.9
175.14825	2.2
177.12747	2.6
179.10609	1.3
183.11658	4.3
185.09558	2.3
185.13243	3.9
187.11186	2.0
187.14833	2.6
189.11171	2.9
189.12764	2.6
193.12193	1.4
195.11719	3.5
195.13606	1.0
197.13293	2.5
199.11168	2.4
199.14810	3.2
201.12749	1.8
203.10753	1.1
203.14265	1.5
205.12190	1.1
207.13712	1.2
209.13293	1.9
209.15236	1.1
211.14821	1.7
213.12811	2.0
213.16457	1.2
215.14369	1.6
221.13297	1.3
221.15268	2.3
223.14880	1.4
225.12712	1.1
225.16258	1.3
227.12686	1.9
229.14276	18.7
233.15335	1.5
243.21095	1.3
245.13860	1.7
259.20581	2.9
261.22137	1.5
273.22089	1.8
277.21683	3.3
285.21991	1.7
289.21625	2.9
292.09546	1.2
299.14972	2.8
301.21582	7.4
303.23114	1.7
311.19955	1.5
313.21783	1.4
315.23306	2.8
319.22513	2.7
323.23801	2.3
327.23148	1.6
341.24808	1.5
345.24295	1.8
351.23029	5.2
353.24756	2.0
355.17645	2.2
357.24393	1.7
369.24182	11.2
387.25446	5.6
393.25995	1.5
405.26364	2.1
425.26801	1.7
443.27820	4.6
461.28995	7.3
473.33224	1.2
489.35760	1.9
559.36267	1.3
585.38257	1.9
597.37885	6.9
615.38916	9.6
633.39838	43.4
634.39917	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	633.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01849	0.8
55.05495	1.3
57.03426	1.3
66.02025	0.8
67.05473	2.2
68.99780	1.9
69.03410	2.3
69.07046	2.0
69.47063	6.5
70.06571	0.8
78.25526	0.7
79.05485	1.9
81.03420	1.8
81.07067	3.5
83.04977	0.8
85.02865	1.2
91.05483	3.9
93.07019	2.2
95.04942	2.5
95.08592	3.1
95.63554	0.7
97.02888	2.0
97.06508	1.6
98.21455	0.8
105.07006	4.4
107.04937	1.6
107.08591	2.2
109.02850	1.3
109.06490	1.3
109.10110	1.7
113.98029	0.7
115.05435	2.6
117.07004	1.2
119.08556	1.8
121.06474	1.0
121.10139	2.6
123.04440	1.1
123.08041	1.9
128.06206	2.2
129.06981	1.7
131.04890	0.7
131.08542	1.9
133.06490	2.5
133.10104	2.6
135.04367	1.3
135.08005	0.9
135.11682	0.8
137.02345	1.5
137.05943	1.5
141.06985	2.6
142.07774	1.0
143.08531	2.8
145.06354	1.1
145.10078	2.1
147.04405	2.9
147.11703	1.5
149.05923	1.5
151.07532	2.0
153.01840	0.7
153.06963	1.6
153.27364	0.7
155.08496	1.0
157.10141	0.9
159.08064	1.2
159.35004	0.8
160.05167	9.5
161.05956	18.5
161.09653	0.9
163.03889	3.4
163.11198	0.9
165.09108	0.8
167.03389	3.2
167.07021	2.4
169.06471	1.5
169.10088	0.7
171.08049	1.9
171.11671	0.8
175.03918	1.3
177.05443	3.6
178.06216	4.8
179.07080	0.8
181.06435	1.0
183.04514	0.8
183.11610	1.0
187.07484	1.0
189.09087	10.7
191.03334	1.1
191.07001	2.5
197.05923	1.9
199.07466	1.6
201.05469	1.4
201.09100	1.1
203.07018	1.2
205.04910	1.7
205.08553	1.2
207.13852	0.9
211.03946	0.8
213.05469	0.9
215.03532	0.9
215.07001	2.3
221.15358	1.3
225.05399	0.9
227.06992	1.9
228.04117	0.9
229.04959	1.9
231.06641	1.1
239.03488	1.0
239.06987	1.3
241.04945	2.7
243.06424	1.5
253.04887	4.4
255.06485	1.4
256.03647	1.3
257.04514	3.6
267.02783	2.1
267.06766	0.8
269.04410	1.4
271.06015	3.2
281.04425	4.7
282.05084	1.1
283.06097	2.0
284.03116	2.5
295.02322	3.1
295.05853	1.4
296.06757	3.2
297.03885	3.1
297.07269	1.4
298.04657	1.3
299.05441	12.1
301.07001	0.9
309.03827	1.9
310.04526	1.0
311.05438	9.5
312.02631	1.2
312.06232	2.3
313.06918	3.6
314.07913	2.3
315.05048	3.6
324.06207	1.5
325.03516	0.9
325.07016	1.9
326.07767	1.2
327.04959	63.8
327.08176	2.5
328.05472	2.1
329.06592	1.6
329.10184	10.3
330.07260	2.0
339.05042	2.7
341.06381	4.8
342.07291	12.4
343.08261	1.0
344.08777	0.9
345.09784	5.8
352.05661	1.2
353.06534	1.1
354.07285	0.8
355.04425	13.8
355.08157	1.2
357.09628	85.1
358.10226	3.6
369.09647	1.7
370.06796	3.9
383.07312	1.7
383.12024	0.8
385.09131	100.0
386.09378	3.5
397.09048	1.2
413.08798	1.7
479.11444	0.9
497.12772	1.0
507.10547	1.9
525.11615	1.6
531.16571	2.2
535.09698	3.5
536.10730	0.7
537.16034	1.0
553.10895	1.7
555.16534	4.6
565.14966	3.3
573.17438	2.5
583.15961	23.6
601.16968	58.0
602.17126	4.0
615.26141	0.7
633.19171	11.4
633.27734	0.9
633.41028	2.4
634.20746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01849	0.8
55.05495	1.3
57.03426	1.3
66.02025	0.8
67.05473	2.2
68.99780	1.9
69.03410	2.3
69.07046	2.0
69.47063	6.5
70.06571	0.8
78.25526	0.7
79.05485	1.9
81.03420	1.8
81.07067	3.5
83.04977	0.8
85.02865	1.2
91.05483	3.9
93.07019	2.2
95.04942	2.5
95.08592	3.1
95.63554	0.7
97.02888	2.0
97.06508	1.6
98.21455	0.8
105.07006	4.4
107.04937	1.6
107.08591	2.2
109.02850	1.3
109.06490	1.3
109.10110	1.7
113.98029	0.7
115.05435	2.6
117.07004	1.2
119.08556	1.8
121.06474	1.0
121.10139	2.6
123.04440	1.1
123.08041	1.9
128.06206	2.2
129.06981	1.7
131.04890	0.7
131.08542	1.9
133.06490	2.5
133.10104	2.6
135.04367	1.3
135.08005	0.9
135.11682	0.8
137.02345	1.5
137.05943	1.5
141.06985	2.6
142.07774	1.0
143.08531	2.8
145.06354	1.1
145.10078	2.1
147.04405	2.9
147.11703	1.5
149.05923	1.5
151.07532	2.0
153.01840	0.7
153.06963	1.6
153.27364	0.7
155.08496	1.0
157.10141	0.9
159.08064	1.2
159.35004	0.8
160.05167	9.5
161.05956	18.5
161.09653	0.9
163.03889	3.4
163.11198	0.9
165.09108	0.8
167.03389	3.2
167.07021	2.4
169.06471	1.5
169.10088	0.7
171.08049	1.9
171.11671	0.8
175.03918	1.3
177.05443	3.6
178.06216	4.8
179.07080	0.8
181.06435	1.0
183.04514	0.8
183.11610	1.0
187.07484	1.0
189.09087	10.7
191.03334	1.1
191.07001	2.5
197.05923	1.9
199.07466	1.6
201.05469	1.4
201.09100	1.1
203.07018	1.2
205.04910	1.7
205.08553	1.2
207.13852	0.9
211.03946	0.8
213.05469	0.9
215.03532	0.9
215.07001	2.3
221.15358	1.3
225.05399	0.9
227.06992	1.9
228.04117	0.9
229.04959	1.9
231.06641	1.1
239.03488	1.0
239.06987	1.3
241.04945	2.7
243.06424	1.5
253.04887	4.4
255.06485	1.4
256.03647	1.3
257.04514	3.6
267.02783	2.1
267.06766	0.8
269.04410	1.4
271.06015	3.2
281.04425	4.7
282.05084	1.1
283.06097	2.0
284.03116	2.5
295.02322	3.1
295.05853	1.4
296.06757	3.2
297.03885	3.1
297.07269	1.4
298.04657	1.3
299.05441	12.1
301.07001	0.9
309.03827	1.9
310.04526	1.0
311.05438	9.5
312.02631	1.2
312.06232	2.3
313.06918	3.6
314.07913	2.3
315.05048	3.6
324.06207	1.5
325.03516	0.9
325.07016	1.9
326.07767	1.2
327.04959	63.8
327.08176	2.5
328.05472	2.1
329.06592	1.6
329.10184	10.3
330.07260	2.0
339.05042	2.7
341.06381	4.8
342.07291	12.4
343.08261	1.0
344.08777	0.9
345.09784	5.8
352.05661	1.2
353.06534	1.1
354.07285	0.8
355.04425	13.8
355.08157	1.2
357.09628	85.1
358.10226	3.6
369.09647	1.7
370.06796	3.9
383.07312	1.7
383.12024	0.8
385.09131	100.0
386.09378	3.5
397.09048	1.2
413.08798	1.7
479.11444	0.9
497.12772	1.0
507.10547	1.9
525.11615	1.6
531.16571	2.2
535.09698	3.5
536.10730	0.7
537.16034	1.0
553.10895	1.7
555.16534	4.6
565.14966	3.3
573.17438	2.5
583.15961	23.6
601.16968	58.0
602.17126	4.0
615.26141	0.7
633.19171	11.4
633.27734	0.9
633.41028	2.4
634.20746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.4
54.61555	0.4
55.01833	0.8
55.05467	0.8
57.03399	0.4
57.07038	0.3
57.22588	0.3
61.52804	0.3
61.67528	0.3
67.05492	2.0
68.99758	0.5
69.03397	0.8
69.07011	0.6
69.98745	1.7
71.04967	0.5
71.06238	0.3
79.05493	1.9
81.03402	0.8
81.07041	2.1
83.04960	0.7
83.08564	0.4
85.02879	0.6
87.04405	0.3
91.05467	2.7
93.07028	2.4
95.01261	0.6
95.04955	1.8
95.08538	1.3
97.02861	0.6
97.06469	0.8
105.07011	2.7
107.01279	0.8
107.04884	1.1
107.08566	2.2
109.02840	0.6
109.06483	0.7
109.10107	1.1
115.05441	1.7
117.06961	1.5
119.08550	2.4
121.06445	0.6
121.10122	1.7
123.04365	1.1
123.08008	0.9
123.11633	0.4
125.09620	0.3
127.03955	0.4
128.06160	1.2
129.06998	1.9
130.07788	0.4
131.04893	0.4
131.08513	1.1
133.06433	0.7
133.10057	1.5
135.00757	0.3
135.04320	0.6
135.08005	0.5
135.11615	0.6
137.02295	0.6
139.05424	0.5
141.06973	2.7
142.07634	0.5
143.04948	0.5
143.08517	1.2
144.05589	0.5
145.06409	1.1
145.10030	1.7
147.04381	1.0
147.08009	0.7
148.05162	0.6
149.05916	0.8
151.07472	0.7
152.06160	1.0
153.01817	2.1
153.05580	0.4
153.06938	2.1
154.07713	0.6
155.04849	0.4
155.07373	0.5
155.08540	5.5
156.09215	0.4
157.06371	0.8
157.10057	1.0
158.07310	0.4
159.08038	0.8
159.11714	0.9
160.05167	2.2
161.05956	3.4
161.09511	0.7
162.06694	0.5
163.00217	0.7
163.03880	1.9
163.07487	0.8
163.11154	0.4
165.01781	0.5
165.06995	4.1
165.09042	0.5
166.07629	0.3
167.06985	1.3
167.08423	0.8
167.10655	0.6
168.05652	1.5
169.06438	2.6
169.10040	0.5
171.04350	0.4
171.07964	0.5
171.11609	0.8
173.05965	3.7
173.09579	0.7
173.13185	0.9
175.03915	0.8
175.07466	0.7
176.04639	0.4
177.05432	1.3
178.02533	0.4
178.06215	8.6
179.06805	0.4
181.01234	1.1
181.06458	0.6
181.10078	0.4
181.12225	0.4
183.08063	4.8
183.11580	0.5
185.05984	1.1
185.13170	0.4
186.06729	1.5
187.07535	2.5
187.14709	0.4
189.05405	1.1
189.09059	1.0
189.12656	0.5
190.06128	0.6
191.03250	0.4
191.06973	1.3
192.07701	0.5
193.06409	0.6
195.07988	0.7
195.11589	0.4
197.05914	2.5
198.06625	0.7
199.07535	0.8
200.04578	1.5
201.05399	1.1
201.09090	4.7
203.07063	0.4
204.04088	0.6
204.07768	0.4
205.04922	0.7
205.08513	0.4
207.13681	0.8
209.13284	0.6
211.07532	5.7
212.08202	0.4
213.05400	1.4
213.16408	0.5
214.06175	1.5
215.06956	2.6
216.04109	1.4
217.04868	0.6
219.06419	0.4
221.15269	0.5
225.05437	1.4
227.03253	0.5
228.04187	0.5
228.07866	0.6
229.04971	0.5
229.08574	2.1
231.06537	1.4
237.05548	0.5
239.06944	0.7
241.04941	1.1
242.05640	0.9
243.06522	1.0
244.03674	0.7
253.04829	1.1
254.05707	0.4
255.02870	7.2
255.06483	0.6
256.03644	0.5
257.04306	0.5
257.08054	2.0
259.05966	2.3
267.02841	1.1
268.04034	0.4
268.07199	1.8
269.04437	3.3
269.07263	0.5
270.05115	1.0
271.06033	0.6
281.04446	1.6
282.05106	0.6
283.02740	1.8
283.05954	1.7
284.03180	0.8
284.06671	1.4
285.07434	1.9
287.05450	6.9
289.10641	0.7
295.02390	0.5
296.06769	4.5
297.03943	2.4
297.07333	0.8
299.05463	2.7
300.02686	2.7
300.05872	0.4
300.09848	2.8
301.06985	0.9
311.05472	0.9
311.09186	0.4
312.02686	0.5
312.06183	3.0
313.07034	3.5
314.04248	0.6
314.07605	0.5
315.04944	43.5
316.05270	1.7
327.04962	3.5
327.08627	1.0
328.05844	0.5
328.09384	2.8
329.06470	2.5
330.07297	21.1
331.07642	0.7
341.06564	2.3
342.07217	1.2
343.08127	1.2
344.08859	3.0
345.09647	49.3
346.09927	1.2
355.04413	2.4
355.08188	1.2
357.09702	1.6
370.06833	1.4
385.09100	2.1
543.12500	0.7
601.16968	17.1
602.17480	0.9
615.40790	0.6
633.19574	100.0
634.20020	5.1
646.25043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58442	0.3
55.01818	0.9
55.05489	0.6
57.03388	0.9
59.04958	0.3
65.53934	0.3
67.05450	1.2
67.44640	0.3
69.03378	0.6
69.07023	0.5
79.05428	1.4
81.03388	0.5
81.06997	1.2
81.09512	0.3
83.04984	0.3
83.08601	0.5
85.02888	0.7
87.04388	0.4
91.05462	2.3
93.07030	1.8
95.04903	1.2
95.08543	1.4
97.06493	0.4
98.21419	0.7
104.67727	0.3
105.07006	2.2
107.01250	0.6
107.04926	1.0
107.08528	0.9
109.06451	1.1
109.10088	0.7
111.04391	0.3
115.05441	1.5
117.06961	1.2
117.33437	0.3
119.08575	2.2
119.28919	0.3
121.06454	0.5
121.10126	1.7
123.04394	1.1
123.08005	1.1
123.11680	0.4
125.05924	0.5
128.06172	0.9
129.06941	1.4
131.04848	0.7
131.08510	1.8
133.06483	0.6
133.10072	1.3
135.08067	0.8
135.11620	0.6
137.02335	0.3
137.09570	0.4
139.05431	0.4
139.07503	0.4
140.06175	0.4
141.06917	2.1
142.07753	0.7
143.04921	0.5
143.08490	1.1
144.05696	0.5
145.06432	1.3
145.10106	2.0
147.04347	1.3
147.11612	0.4
149.02272	0.3
149.05927	0.5
149.09586	0.4
151.07481	0.8
152.06165	0.7
153.01743	1.3
153.06989	1.8
154.07614	0.3
155.04854	0.5
155.08531	4.4
157.06360	0.6
157.10043	1.0
158.07097	0.4
159.07957	0.9
159.11681	0.4
160.05174	1.8
161.05939	2.3
161.09485	0.5
163.00169	0.7
163.03841	1.7
164.04572	0.3
165.06966	2.7
165.09033	0.4
167.06955	1.3
167.08476	0.8
167.10654	0.8
168.05659	1.5
169.06461	1.7
169.10110	0.4
171.11577	0.8
173.05951	4.9
173.09549	0.7
173.13129	0.4
174.06686	0.4
175.03850	0.5
175.07500	0.8
175.11111	0.6
176.04691	0.3
177.05466	1.5
177.09077	0.4
178.02617	0.5
178.06223	7.5
179.03317	0.6
181.01230	0.9
181.06371	0.5
181.12001	0.4
183.02873	0.4
183.04414	0.5
183.08041	4.1
183.11591	0.3
185.05913	0.6
186.06694	1.3
187.07547	2.6
189.05493	0.7
189.08981	0.8
190.06223	0.6
191.07018	3.7
192.07712	0.8
193.06459	0.3
195.08018	0.6
196.05156	0.4
197.05902	1.9
199.07516	1.0
200.04660	2.1
201.05354	1.8
201.09059	3.9
203.07001	0.9
204.04153	0.5
205.04889	0.6
205.08521	0.5
207.13780	0.7
211.07518	4.8
212.08209	0.7
213.05392	1.2
213.08980	0.5
214.06183	1.3
215.06955	2.0
216.04114	1.0
217.04936	0.8
219.06444	0.3
221.15309	0.6
225.05295	0.6
227.03383	0.8
227.06900	0.4
228.04176	0.5
229.04926	0.5
229.08559	3.0
229.28409	0.3
230.05905	0.3
231.06474	1.2
233.15189	0.5
239.06995	1.1
240.07732	0.6
241.04778	1.5
241.08606	0.4
242.05518	0.7
243.06480	0.9
244.03494	0.8
253.04880	1.0
255.02840	5.0
255.06505	0.7
256.07272	0.6
257.04492	0.5
257.08047	2.7
259.05923	1.8
259.09689	0.4
267.02942	0.9
268.07364	1.6
269.04385	2.7
269.07788	0.4
270.04950	0.9
271.05951	1.1
272.03055	0.4
281.04337	1.1
282.05148	0.5
283.02258	1.9
283.05936	1.6
284.03329	0.5
284.06705	1.1
285.04507	0.4
285.07553	1.7
287.05453	7.3
289.10641	0.5
295.02316	0.8
295.05728	0.4
296.06851	3.0
297.03882	2.2
297.07379	0.9
298.04803	0.4
299.05576	2.1
300.02582	1.8
300.09903	2.0
301.07071	0.5
309.03940	0.5
311.05341	1.3
311.08591	0.4
312.06271	3.1
313.06982	3.2
314.04410	0.7
314.07733	0.9
315.04932	41.5
316.05429	1.6
325.07013	0.6
327.04916	3.1
327.08670	0.9
328.09271	2.2
329.06241	1.9
330.07285	21.5
331.07883	1.0
339.04855	0.4
340.09512	0.3
341.06424	1.7
342.07214	1.1
343.08023	1.1
344.08801	3.2
345.09631	47.9
346.09943	1.6
355.04358	3.0
355.08215	1.3
357.09424	1.6
367.11792	0.4
369.09555	0.8
370.06760	1.4
384.08319	0.5
385.09125	2.9
399.10828	0.8
415.10507	0.5
543.13531	0.4
553.10828	0.4
573.17371	0.4
583.16016	0.6
601.16956	10.8
602.17273	0.7
615.28931	0.3
615.40082	0.6
618.16321	0.4
620.42914	0.3
633.19537	100.0
634.19995	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	633.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05512	0.7
57.01986	0.7
60.84698	0.6
67.03677	0.6
67.05494	1.9
68.94064	0.7
69.03417	1.5
71.59548	1.3
79.05040	0.7
79.05488	2.0
81.03371	1.4
81.07042	2.5
83.04958	1.0
85.02907	1.2
91.05467	2.4
93.07042	2.1
95.04967	1.5
95.08611	1.6
97.02898	1.5
97.06496	1.5
105.07016	3.3
107.01319	1.3
107.04978	1.3
107.08606	2.3
109.02828	0.8
109.06507	1.2
109.10169	1.4
115.05437	0.7
117.06995	1.3
119.08598	1.6
121.06494	1.1
121.10152	2.5
123.00767	0.6
123.04387	1.8
127.03918	0.7
128.06181	1.0
129.07005	1.4
131.04971	0.7
131.08582	2.0
133.10136	1.7
135.04395	1.1
135.08115	0.8
135.11674	0.9
137.05975	1.0
141.06989	2.5
142.07755	0.8
143.08572	1.4
145.06512	1.6
145.10152	2.6
147.04419	1.9
147.11725	1.1
151.07602	1.0
153.01828	2.1
153.06944	1.6
155.08574	3.0
157.10097	1.4
159.08058	0.9
159.11726	1.1
160.05183	1.3
161.05969	2.5
163.00313	1.0
163.03864	3.7
163.27675	0.7
165.06975	3.7
165.09123	0.7
167.07060	2.4
168.05663	1.6
169.06505	2.9
171.11684	1.0
173.05948	3.7
173.09583	1.0
173.13322	1.1
177.05507	1.9
178.06218	10.0
181.01288	0.9
181.06416	1.2
182.07230	0.8
183.08076	3.7
185.05986	1.3
186.06747	0.8
187.07541	2.9
189.09094	0.9
191.07024	1.0
191.29614	0.6
197.05978	3.0
198.06715	0.7
199.07471	1.4
200.04700	2.5
201.05432	1.4
201.09039	4.0
203.07068	1.0
207.13931	0.9
211.07561	4.7
213.05414	1.2
215.07047	2.1
217.08553	0.8
221.15498	0.7
225.05496	0.9
229.08505	3.4
231.06476	1.2
239.07098	1.5
241.05055	1.9
243.06693	0.9
244.03404	0.7
253.05106	1.1
255.02870	6.2
255.05589	0.7
255.06566	0.8
256.03433	0.9
257.07983	3.9
259.06100	1.9
267.02908	1.9
267.06638	0.8
268.07349	2.5
269.04462	2.7
269.07858	1.3
271.06107	2.2
281.04532	2.6
283.02429	1.6
283.05981	1.3
284.06900	1.5
285.07547	3.2
287.05472	5.8
289.10822	1.0
296.06818	6.9
297.03940	2.2
297.07425	1.5
298.04517	0.9
299.05447	3.6
300.02719	2.1
300.09906	4.7
301.06799	1.5
311.05478	1.2
312.06116	3.6
313.06897	4.6
314.07706	1.2
315.04932	40.3
316.05276	1.3
327.05081	7.3
327.08545	1.5
328.09348	4.9
329.06531	1.8
330.07285	20.7
333.17230	0.7
341.06677	2.8
342.07358	1.6
343.08072	1.1
344.08902	2.5
345.09656	53.9
346.10086	1.9
355.04395	2.3
355.08139	3.2
357.09702	3.1
370.06827	0.9
385.09229	2.5
427.10107	0.8
583.16473	1.1
601.16986	100.0
602.17072	6.1
615.21240	2.6
633.19397	11.5
633.41644	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	633.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58939	0.4
55.01840	0.8
55.02103	0.5
55.05471	0.4
57.03399	0.8
67.05460	1.2
69.03392	0.9
69.07022	0.9
69.51371	3.9
79.05445	1.1
81.03369	0.6
81.07012	1.7
83.04952	1.1
83.08548	0.9
91.05466	2.7
93.06978	1.6
95.04910	1.4
95.08548	1.3
97.06495	0.8
98.20700	0.6
105.07009	2.4
107.01263	1.8
107.04900	1.7
107.08546	1.3
109.06477	0.6
109.10068	1.0
115.05421	0.8
117.07000	0.8
119.04879	0.5
119.08504	1.2
119.71297	0.5
121.06437	0.7
121.10104	1.1
123.04314	0.7
123.07999	0.8
127.03861	0.5
128.06172	0.5
129.06947	1.3
131.04924	0.5
131.08475	1.2
133.06480	0.5
133.10052	1.3
137.60803	0.5
140.06276	0.5
141.06952	2.8
142.07735	0.7
143.08521	0.7
145.06429	1.2
145.10114	1.3
147.04346	1.3
147.11624	0.8
148.05011	0.6
149.05911	1.1
149.09587	0.7
151.07462	1.3
152.06155	1.2
153.01779	2.1
153.05374	0.5
153.06924	2.1
154.07661	0.5
155.04852	0.8
155.08510	4.4
157.06432	1.0
159.08002	0.8
159.11586	0.7
160.05215	2.6
161.02344	0.6
161.05978	2.8
163.00235	1.0
163.03882	2.8
165.01759	0.7
165.06979	2.7
165.09001	0.5
167.06956	2.8
167.08488	1.2
167.10602	1.0
168.05664	0.9
169.06459	3.0
171.08000	0.9
171.11685	0.5
173.05959	4.0
173.09581	0.6
175.03754	0.5
175.07471	0.9
177.05391	1.7
178.02632	0.8
178.04697	0.7
178.06226	12.3
178.07751	0.8
179.03360	0.7
181.01236	1.5
181.06396	0.8
183.02773	0.5
183.08038	4.2
185.05981	0.9
186.06694	1.8
187.07527	2.5
189.05363	0.5
189.09042	1.3
191.03445	0.5
191.06973	1.9
192.07721	0.9
193.04747	0.5
193.06448	0.8
197.05899	3.1
198.06679	0.7
199.07509	0.5
200.04646	2.9
201.05388	1.4
201.09079	4.2
201.12596	0.5
203.03426	0.5
203.14191	0.5
204.04080	0.5
205.04913	0.9
211.03842	0.5
211.07489	5.8
212.08186	0.6
213.05444	1.9
213.16379	0.5
214.06201	1.1
215.07002	2.2
216.04088	1.3
217.04875	1.1
220.82623	0.5
221.15320	0.8
224.04926	0.7
225.05396	1.6
226.06221	0.7
227.03381	0.7
227.06920	0.7
228.04047	1.3
228.07768	0.7
229.04927	0.6
229.08591	3.1
231.06462	1.6
239.03352	0.7
239.06938	1.2
240.07695	1.0
241.04924	1.5
241.08546	0.8
242.05661	1.2
243.06526	1.1
244.03596	1.2
253.04901	1.8
255.02805	6.6
255.06436	1.1
256.07272	0.6
257.08081	3.5
259.05890	2.0
267.02841	1.8
267.06259	0.9
268.03317	0.5
268.07303	2.9
269.04395	2.9
269.07785	1.0
270.05215	1.4
271.05966	1.3
281.04456	3.0
282.05145	1.1
283.02298	1.5
283.05914	1.4
284.03104	0.6
284.06735	1.6
285.04413	0.5
285.07520	2.8
287.05478	7.0
289.10669	0.7
296.06720	8.5
297.03809	2.9
297.07407	1.6
298.04633	1.9
299.05447	3.8
300.02698	2.5
300.06696	0.6
300.09857	5.1
301.06992	0.7
311.05673	1.0
311.09015	0.5
312.02753	0.9
312.06085	3.3
313.07013	4.2
314.04236	0.8
314.07742	1.3
315.04941	42.9
316.05435	1.1
323.05240	0.5
325.06976	0.9
327.04910	6.4
327.08624	2.1
328.05585	0.9
328.09277	5.3
329.06366	2.3
329.10010	0.5
330.07300	23.2
331.07739	1.0
339.04947	0.6
341.06360	2.8
342.07288	1.7
343.08032	1.2
344.08887	5.0
345.09634	62.6
346.09964	1.6
355.04288	2.3
355.08066	4.7
357.09674	3.4
367.12054	0.7
370.06799	1.4
385.09024	2.1
573.17468	0.7
583.15735	1.3
601.16956	100.0
602.17126	4.6
633.19519	27.5
633.41095	2.1
634.20068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03423	0.3
57.39888	0.2
61.69099	0.2
67.05473	1.0
68.99764	0.3
69.03417	1.2
69.07048	0.3
70.06578	1.5
79.05457	0.5
81.03390	0.9
81.07043	0.6
85.02879	1.1
87.00813	0.5
91.05469	0.7
93.07001	0.6
95.04941	0.5
95.08571	0.6
95.95190	0.2
97.02877	2.2
97.06500	0.9
97.07087	0.2
99.04427	0.5
103.82863	0.2
105.07023	0.3
107.04935	0.3
107.08567	0.5
109.02841	0.5
109.10144	0.3
117.97858	0.3
119.04931	0.3
119.08533	0.3
127.03893	1.0
129.87337	0.2
131.08582	0.3
133.02838	0.3
133.10121	0.4
134.03610	0.4
135.04324	0.2
135.42670	0.2
137.05936	0.6
141.15054	0.2
145.02850	0.4
145.87642	0.2
147.04379	1.1
147.11594	0.3
151.03917	0.3
159.02884	0.3
161.05894	0.3
163.03883	0.6
175.07567	0.3
176.01009	0.5
177.01830	0.3
177.05428	0.8
187.07539	0.3
191.03281	0.4
191.06964	0.6
193.04929	0.2
194.02104	0.3
197.66751	0.3
201.05397	1.1
203.03378	0.9
213.05490	0.3
217.04886	0.2
219.06485	0.5
221.04372	1.2
226.06166	0.5
229.39011	0.3
233.09573	0.3
236.06674	0.7
237.05458	0.3
239.07117	0.3
241.04948	0.5
241.14603	0.2
253.04874	0.5
253.08459	0.3
254.05753	0.3
257.12927	0.3
261.09152	0.5
263.06976	0.4
265.04901	0.6
267.06439	1.0
269.04605	0.4
269.07947	0.4
270.05188	0.9
277.08563	0.7
278.09238	0.4
279.06586	0.3
279.10468	0.3
281.04922	0.4
281.08148	1.4
282.05099	0.8
285.07477	0.4
291.06387	0.2
293.04431	0.5
295.05899	1.5
295.09567	0.9
296.10364	0.4
297.07480	1.8
298.04678	6.7
299.05197	0.7
301.07010	0.6
306.08838	0.6
307.09595	0.8
309.04230	0.3
309.07535	2.9
310.04660	1.2
310.08124	0.6
311.05276	0.4
311.09085	0.3
312.05942	0.3
313.07010	13.6
314.07324	0.7
315.04926	0.8
317.07980	0.5
319.05942	0.3
320.06479	0.3
321.11346	0.4
322.04547	0.3
323.05432	0.6
323.08997	0.3
324.06143	0.8
324.09869	0.5
325.06992	3.0
325.10721	1.2
327.08441	0.3
333.07388	0.5
334.08307	2.0
335.08975	0.9
337.06967	7.1
338.07690	2.1
339.08487	0.8
339.12241	0.5
345.09705	1.3
346.10068	0.5
347.10233	0.4
349.10672	3.0
351.08728	1.5
352.09348	9.9
353.09775	0.6
357.09171	0.2
367.11691	100.0
368.12036	5.4
385.12744	3.5
408.96225	0.2
459.10513	0.4
461.08157	0.3
486.08206	0.3
519.12775	1.5
587.15210	0.6
601.26526	0.4
615.15198	2.7
616.16711	0.3
633.16211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01866	8.2
57.03427	1.8
57.07064	5.0
60.04511	1.3
62.27308	1.0
67.05488	3.6
69.03407	7.6
69.07052	7.8
70.02959	5.3
70.06567	2.8
70.90650	2.5
71.04970	2.8
72.04506	23.3
73.02905	13.3
74.02422	2.1
81.03406	15.6
83.04973	7.8
84.08139	1.4
85.02890	9.1
85.06528	8.3
86.09703	4.4
87.04456	1.6
87.08097	4.5
90.05540	42.4
95.04942	9.2
96.04530	1.0
97.02876	12.3
98.02403	15.7
99.04420	4.9
100.03973	4.7
101.06021	1.7
103.03918	1.4
103.07568	3.9
109.02865	32.2
112.07600	2.7
113.06022	5.8
115.03899	2.3
116.03441	24.7
123.04456	1.3
124.07575	23.9
126.05539	1.5
127.03898	18.7
130.08632	1.4
131.06979	1.9
132.06535	12.1
135.79388	1.0
137.05969	1.0
138.05493	2.0
139.03795	1.0
141.79524	1.1
142.08617	19.5
145.04941	7.0
147.04391	1.3
152.07111	1.2
154.59088	1.0
158.04475	1.1
160.09633	7.2
166.08652	5.0
169.04955	1.7
172.09668	6.6
174.11218	7.0
181.04997	2.3
184.09668	36.1
186.07327	1.2
187.06052	1.3
193.08519	1.2
198.07524	5.3
199.05975	5.7
202.10716	90.8
203.11386	2.0
211.09590	9.9
216.08673	5.9
217.07088	3.3
220.09862	1.2
220.11765	25.0
230.10245	9.2
234.09685	10.2
244.11726	3.5
262.12827	18.8
310.12753	11.3
317.12125	1.8
328.13858	100.0
329.14273	1.9
346.14920	25.8
364.15961	90.3
365.16644	1.7
370.16855	3.0
464.21075	2.9
470.15906	1.1
482.22232	6.2
500.23074	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	631.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01839	1.2
55.05507	11.0
57.03434	1.1
57.06799	1.3
57.07066	19.9
60.21025	0.8
65.03929	1.4
67.05137	1.7
67.05494	29.5
69.07059	9.3
70.07378	0.8
70.94382	1.8
70.94769	2.2
71.08620	15.3
79.05479	29.4
80.05814	0.9
80.73593	0.9
81.03403	2.7
81.07043	28.0
83.04974	4.9
83.08604	8.8
85.10170	6.7
91.05469	20.4
93.07028	20.6
95.04960	7.6
95.08594	22.8
97.06506	1.8
97.10152	5.3
98.96502	0.9
105.04469	1.0
105.07013	13.3
106.07340	1.2
107.04905	2.9
107.08564	8.4
109.06506	2.8
109.10144	7.1
112.99995	8.5
115.05428	0.9
117.07001	2.9
119.08560	8.3
121.06418	1.0
121.10119	2.2
123.08070	1.6
123.11714	2.5
128.06148	1.3
129.07002	5.0
131.08522	1.4
133.10127	4.3
143.08531	2.5
145.10117	3.8
147.07999	1.0
147.11665	12.5
161.09584	1.7
161.13260	4.9
169.02585	8.8
171.11650	11.0
189.12735	4.0
207.13795	14.1
225.14777	2.5
239.23621	2.4
281.17441	4.7
313.27390	1.6
317.19415	1.1
360.31232	0.9
407.25327	1.5
519.40363	100.0
520.40710	6.8
531.40161	2.1
631.48633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57180	0.9
57.00221	0.6
65.03931	6.2
67.05492	3.0
67.78107	0.6
69.03407	2.2
69.07030	0.8
70.06564	2.4
71.58424	0.7
71.58796	1.0
73.02906	1.0
78.93832	0.8
79.05497	0.8
79.49667	0.7
81.03359	1.1
81.07031	1.8
85.02896	1.6
89.03899	4.7
91.05457	1.0
93.03392	7.7
93.07027	0.7
95.04948	1.3
97.02879	100.0
97.06492	1.5
105.07027	0.8
107.04942	0.8
109.02841	0.9
109.06475	1.2
111.04442	1.5
115.05431	0.8
117.03352	14.3
119.04939	0.8
121.02845	3.2
123.04444	1.3
124.05235	0.7
125.02329	1.3
125.05955	1.6
127.07547	0.9
128.06201	0.8
129.06989	5.0
132.21196	0.7
134.03613	1.0
135.04382	1.2
136.06108	0.8
137.05914	1.3
139.03893	1.2
139.05373	1.6
141.06996	1.2
145.02823	46.5
145.08571	1.6
147.04364	3.3
149.02327	9.3
149.05969	5.2
151.03905	2.6
157.06480	8.2
163.03871	1.2
167.03384	43.9
167.04837	3.0
168.03741	1.0
169.06482	2.8
174.06746	1.1
175.07437	0.8
177.05440	84.8
178.05827	1.7
185.05939	3.7
186.05470	1.2
187.07527	1.8
188.08369	1.2
189.05466	1.2
189.09091	9.9
195.04475	1.1
199.07503	5.9
200.04649	0.8
207.06506	2.0
213.05521	1.8
214.06226	0.7
215.07066	1.7
217.08565	7.8
227.07027	7.2
240.59970	0.7
245.08063	10.5
263.29144	0.9
273.07544	3.9
291.08585	34.9
292.08975	1.2
309.09656	9.2
315.04977	0.7
315.13889	0.8
339.10669	0.9
345.09723	1.1
383.11240	1.1
384.11514	2.9
406.55826	0.8
519.12610	0.7
532.56195	0.7
619.08588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.4
55.05504	1.8
57.41005	1.0
65.03933	6.1
67.05493	3.2
69.03411	3.6
69.07051	1.0
69.54955	0.9
70.06568	4.3
71.59252	1.2
72.36617	1.0
79.05475	1.8
81.03349	1.0
81.07047	1.8
81.12778	0.9
83.04961	1.4
84.04520	1.0
85.02882	2.5
89.03923	2.1
91.05469	1.8
93.03406	7.0
93.07040	1.3
94.59930	1.0
95.04971	1.1
97.02879	98.9
97.06535	1.3
98.03236	0.9
105.07002	2.4
107.08463	1.0
107.23905	0.9
109.02850	1.1
109.06489	1.2
110.53017	0.8
117.03367	11.7
119.04943	1.5
121.02879	2.8
121.06528	1.5
123.04409	1.6
125.02362	1.7
125.05949	1.4
128.06226	1.4
129.06996	6.7
131.08553	1.1
134.03616	1.0
136.06190	1.4
136.89682	1.0
137.05969	1.8
139.05432	1.2
141.07043	1.1
145.02823	45.3
145.08568	2.9
146.03191	1.0
147.04399	3.7
149.02299	9.0
149.05951	5.2
151.03864	2.1
157.06471	6.6
161.06042	1.5
167.03377	66.1
169.06474	1.6
175.07480	1.1
177.05446	100.0
178.05875	3.3
179.07007	1.1
185.05977	1.8
186.05417	1.6
187.07506	1.4
188.08330	1.0
189.05463	1.9
189.09082	9.2
191.07069	1.2
195.04294	1.1
199.07458	4.5
207.06462	2.6
213.05568	1.2
215.06963	1.2
217.08604	7.1
227.07027	5.6
245.08057	15.6
273.07590	5.7
291.08597	52.7
297.41870	1.0
309.09641	12.5
339.10611	2.2
384.11292	4.4
407.07382	1.1
615.14392	1.3
632.10974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93102	0.8
55.05503	2.3
55.81059	0.9
56.03715	0.9
67.05484	3.4
68.99786	1.2
69.03410	2.5
69.07050	7.6
70.06570	2.5
71.04968	1.2
71.62017	1.5
79.05473	2.7
80.04990	0.8
81.03391	2.3
81.07048	3.0
83.04961	2.8
85.02887	1.9
85.96363	0.9
91.05460	3.5
93.07023	2.6
94.06561	7.6
95.04937	3.3
95.08591	2.4
97.02866	5.0
97.06522	4.8
97.10092	1.0
99.04454	1.2
103.05494	1.1
105.06995	5.3
107.04949	1.0
107.08553	3.1
109.02878	1.1
109.06496	1.1
109.10127	1.2
110.06029	1.2
111.04445	1.0
115.67696	0.9
116.05002	1.3
117.06951	1.2
118.06506	1.3
119.04906	1.1
119.08544	2.4
121.06474	1.7
121.10101	2.4
122.06023	19.8
123.04409	2.0
123.08072	1.1
125.05961	2.9
127.03931	1.4
131.04836	1.0
131.08557	2.9
133.10095	2.3
134.05881	1.7
135.07954	1.0
136.06213	2.1
137.05933	1.7
137.09543	1.0
140.07047	32.6
141.06955	1.3
143.07062	1.0
144.04466	2.0
145.02818	1.8
145.06372	1.4
145.10081	5.3
146.05986	12.9
147.04385	1.4
148.07538	2.0
149.05919	1.8
157.10133	0.9
159.07939	1.2
159.11716	1.8
162.05507	2.4
163.11200	1.0
165.09073	1.0
167.07053	1.2
169.10193	1.7
172.03908	15.7
173.04582	1.4
173.09523	2.3
174.05479	16.4
174.06813	1.5
175.07428	1.2
176.07068	8.6
177.05443	3.6
183.11586	0.9
186.48354	0.9
187.11076	1.9
190.04935	5.3
191.05676	1.4
191.10677	1.7
192.06577	2.7
194.03496	0.9
197.10735	2.4
199.08754	1.3
199.12306	0.9
204.04630	1.6
204.06540	28.6
205.12167	2.2
206.08099	11.6
210.09222	1.6
211.08742	1.5
213.10260	1.7
215.10672	1.9
223.08803	1.0
224.09460	1.1
225.10310	5.7
227.11780	11.6
229.04803	1.2
231.02911	1.1
233.11589	1.2
237.10234	3.5
238.10966	1.2
239.11739	5.2
240.12485	1.4
243.11238	1.2
249.10188	1.1
251.11789	2.7
253.09703	2.1
255.11288	1.8
261.12375	2.1
263.08118	2.1
264.08832	1.3
265.09723	2.8
267.11246	1.4
269.12823	11.8
271.10681	4.9
279.11069	1.3
283.10745	10.5
284.11484	6.0
285.12228	5.3
286.13208	1.6
287.10779	1.7
287.13870	26.9
288.14474	1.2
295.10754	1.9
297.12375	2.9
300.11380	1.0
301.12097	3.5
302.12830	1.1
311.14093	1.1
312.14816	0.9
313.11774	26.9
313.15326	1.5
314.12674	3.7
315.05063	1.0
315.13538	3.2
316.14453	6.8
317.15338	1.1
323.10272	2.3
324.11047	1.2
327.13773	1.5
327.17520	1.2
328.10956	1.1
328.14401	3.0
329.11539	2.4
329.15091	2.6
330.12198	2.5
330.15970	7.5
331.08188	1.5
331.12808	12.8
331.16742	8.0
332.17484	1.8
337.10648	1.3
342.12402	4.8
342.16141	1.1
343.12976	4.3
344.13983	1.8
344.17551	6.7
345.09882	1.9
345.14377	15.2
355.13574	1.2
356.13913	5.6
357.14746	4.2
358.15485	8.7
363.15381	1.8
370.11484	1.6
370.15527	3.3
371.16763	1.4
372.16989	4.0
380.13824	1.1
382.11728	3.2
383.11768	2.1
384.13297	12.7
385.14096	3.4
386.14499	4.7
386.18860	2.5
388.16626	2.2
390.18021	6.1
398.15002	14.2
399.15689	23.6
400.16489	35.7
401.16742	1.6
402.14343	2.8
412.16367	1.2
414.18088	6.5
415.19098	1.9
416.15945	2.5
417.16656	5.7
418.17639	8.1
430.17593	3.0
431.18192	1.8
440.16241	4.6
441.16553	2.0
442.17419	1.2
444.15521	2.6
458.17108	36.8
459.17731	25.7
460.18408	4.7
490.19717	4.9
491.20197	3.6
531.24817	1.1
555.25787	1.6
557.23529	3.4
581.23907	7.2
582.22333	1.4
599.24921	100.0
600.25238	4.9
613.15704	1.3
631.17273	3.2
631.27423	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	631.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92403	0.7
53.03949	5.1
55.01855	2.1
55.05496	1.7
57.03432	1.3
65.03915	2.3
67.05500	4.9
68.99771	1.4
69.03417	7.9
69.07056	1.0
71.04980	1.4
71.58759	0.9
72.00344	0.6
73.02914	1.4
77.03918	1.1
79.05479	8.9
81.03417	6.2
81.07045	23.2
83.04962	2.1
83.08617	1.0
85.02888	3.4
86.13869	0.6
87.04470	0.7
91.05472	12.8
93.03370	1.4
93.07033	19.7
94.04213	0.8
95.04955	32.1
95.08589	4.3
97.02888	16.4
97.06512	2.3
97.07101	0.8
99.04453	1.7
103.03890	1.4
103.05450	5.9
105.03358	0.8
105.04491	1.8
105.07024	17.5
107.01303	9.5
107.04949	10.1
107.08582	4.1
108.05703	1.0
109.02841	3.8
109.06531	5.7
109.10180	1.3
111.04431	0.8
116.64979	0.7
117.07010	1.0
119.04887	0.9
119.08544	4.3
121.02856	21.1
121.05618	1.5
121.06492	26.3
121.10155	3.5
122.84119	0.7
123.04417	23.0
123.07150	1.5
123.08049	25.2
125.02322	8.9
125.05956	1.9
125.09589	1.4
127.03911	4.5
128.68626	0.6
129.07042	1.7
131.04839	1.1
131.08551	2.3
133.06439	1.0
133.10133	3.7
135.06758	0.6
135.08029	1.9
135.11696	1.2
137.05943	5.7
139.03850	1.2
139.07494	2.0
142.07808	0.7
143.03389	1.0
143.08527	1.9
145.06430	0.8
145.10066	3.4
147.04404	1.9
147.08012	1.9
147.11638	1.3
149.05962	68.8
149.09659	1.9
151.07512	2.5
153.09050	1.2
155.07014	2.7
155.08470	0.8
157.10124	1.8
159.08012	1.3
159.11662	1.6
163.07610	0.8
163.11205	1.2
165.05460	2.7
165.06831	0.9
165.09116	2.5
167.07019	100.0
167.10623	2.0
168.07384	1.4
171.07973	0.8
171.11702	1.1
173.09555	1.0
175.07457	1.1
177.05453	1.3
179.06956	3.8
181.08580	8.0
181.12154	0.9
183.11676	1.7
184.62767	0.8
185.08072	27.0
185.09738	1.3
185.13289	1.2
186.19437	0.7
187.11237	1.1
189.09024	0.8
189.12743	1.0
191.07013	2.8
193.08560	3.3
195.11740	1.1
199.14833	1.2
205.08553	1.5
209.08051	3.4
215.10672	0.8
221.15335	3.0
233.08087	2.8
233.15288	1.0
247.09608	0.8
268.50458	0.8
269.10352	1.0
271.09616	1.3
275.09076	4.7
289.10669	2.3
293.10162	3.0
297.11014	0.7
301.10767	0.9
303.12195	16.3
311.11078	3.4
315.12222	5.6
327.12143	1.4
329.12302	2.1
345.09534	0.8
345.13266	8.5
369.13458	1.1
383.11090	1.0
396.30267	0.9
411.14191	4.0
440.36121	0.7
451.17468	1.3
459.16217	0.7
467.31595	1.1
480.40784	0.8
542.01031	0.8
613.38037	1.0
631.39453	5.2
645.78510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
57.20581	0.3
63.40945	0.3
67.01846	0.7
67.05498	0.3
68.99784	1.6
69.03423	0.6
70.82545	0.6
70.82920	0.6
81.03419	0.6
85.02880	0.6
89.03886	0.3
91.05474	0.9
97.02878	1.3
101.07152	0.3
111.00811	0.6
117.03375	0.6
119.04945	0.5
121.02832	0.5
127.03909	0.5
133.02838	0.8
135.04419	0.9
137.02345	1.8
137.05988	1.7
137.06905	0.3
139.03969	0.3
140.56281	0.3
145.02834	1.0
147.04436	1.0
149.02322	1.5
151.03914	0.3
151.07581	0.4
153.01810	16.5
153.05440	1.4
163.03886	2.6
164.04584	0.7
165.01862	0.4
165.05495	0.8
167.03342	0.3
167.07082	0.9
175.03891	0.5
175.07423	0.3
177.01831	1.4
177.05498	1.6
179.03319	0.4
179.07159	0.3
180.07846	0.3
181.04907	2.8
185.05949	0.3
187.03955	0.4
189.01747	0.3
191.00543	0.3
191.03398	3.2
195.04474	0.3
197.06015	1.0
199.03908	0.3
203.03445	0.3
209.98114	0.3
211.03896	0.3
213.05489	0.8
215.03354	0.3
215.06819	0.4
223.03920	0.4
225.05510	0.8
229.04977	0.7
234.12302	0.3
237.05484	0.3
239.03273	0.3
239.06964	0.5
241.05011	1.0
243.06433	2.1
245.04362	0.9
250.06194	0.3
251.23058	0.3
253.05022	0.5
255.02814	0.3
257.04413	0.9
262.06229	0.5
265.05066	0.5
268.03549	0.6
269.04510	1.1
269.07883	0.5
270.01593	0.5
271.02414	1.6
271.05615	0.4
273.03867	0.4
275.08994	0.4
277.04993	0.6
284.03174	0.4
285.03946	0.4
290.05673	0.5
297.03891	1.3
298.04593	0.4
300.02942	0.3
303.06015	0.4
305.04352	0.8
309.03931	0.4
317.04398	0.7
317.08124	0.4
318.05161	1.5
319.06046	0.9
321.03946	0.8
323.05414	0.5
329.04300	0.8
331.02576	0.5
333.03851	0.5
333.07526	0.9
334.04681	0.5
335.05453	0.8
337.03555	0.4
339.08612	1.5
342.05521	0.4
343.05972	0.7
345.03830	0.5
345.07684	0.4
346.04660	2.9
347.05417	1.6
349.03268	0.4
349.07175	0.4
351.04727	0.3
356.31775	0.3
357.03958	0.9
358.04623	0.5
359.05573	0.8
360.06366	0.6
361.07141	1.7
362.04150	0.8
363.04843	1.3
371.05362	0.7
372.06320	0.7
373.03317	9.9
374.04214	2.9
375.04803	2.5
376.09720	1.5
377.06406	0.7
378.03693	0.9
379.04465	0.9
383.05692	0.3
383.11307	1.4
385.03345	0.4
387.04953	0.8
389.02301	0.6
389.06451	0.9
391.04031	1.4
392.05460	0.4
393.05643	0.4
395.11188	0.3
399.04932	0.7
400.05890	0.4
401.02844	10.5
402.03223	1.5
403.04324	4.5
404.04648	0.4
404.09116	2.9
405.05920	0.8
406.03134	1.1
407.07675	1.2
415.04129	0.5
416.05203	3.0
417.05957	2.7
418.06686	1.5
419.07617	1.5
420.08548	0.4
421.05075	0.7
421.10022	0.4
422.06229	0.4
423.06711	0.5
431.08026	8.4
432.08621	1.6
433.09018	2.6
436.07880	8.1
437.07904	0.6
447.10266	0.4
450.09711	0.4
451.09698	1.3
452.09949	1.1
459.07010	0.5
461.08594	1.8
473.08414	0.5
481.05563	0.7
483.06900	0.6
501.08279	1.0
509.04779	0.5
527.06024	0.5
539.09412	0.3
555.05811	1.6
574.04211	0.4
583.04987	2.6
585.09711	1.2
598.07178	0.6
612.12018	0.3
613.09985	13.2
614.10254	0.6
631.10791	100.0
632.11127	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36762	0.1
55.01844	0.1
55.05419	0.1
55.61876	0.1
67.05469	0.2
69.03391	0.2
71.15540	0.3
79.05463	0.1
79.50512	0.1
81.03362	0.1
81.07000	0.1
83.04945	0.1
85.02845	0.1
91.05409	0.2
93.06986	0.2
95.04894	0.1
95.08573	0.1
96.03841	0.1
97.02856	0.2
97.06511	0.1
105.06968	0.2
107.08530	0.1
110.03665	0.1
118.04106	0.2
119.04883	0.2
119.08521	0.2
121.02821	0.1
121.10095	0.1
123.04382	0.1
125.02322	0.2
127.03854	0.2
131.08546	0.1
133.10124	0.1
137.02249	0.2
138.03084	0.5
145.10103	0.2
147.04295	0.3
149.13141	0.1
153.01746	0.2
157.10046	0.1
158.03592	0.6
163.03793	0.1
163.07463	0.1
165.01801	0.5
165.05415	0.2
166.02567	0.6
167.03407	0.2
170.90446	0.1
183.02826	0.3
184.03653	1.1
189.12671	0.2
199.07564	0.1
210.06656	0.1
211.07559	0.2
213.05461	0.1
215.06630	0.1
225.05414	0.1
227.06941	0.9
228.07727	0.4
238.06221	0.2
239.06955	0.3
241.04993	0.2
254.05698	0.3
255.06447	1.3
256.07269	2.5
257.04398	0.3
265.04861	0.3
266.05643	0.4
267.06461	0.4
269.04428	0.2
282.05225	0.4
283.05957	4.1
284.06726	3.5
285.07318	0.2
294.05124	0.4
295.05905	0.4
297.03891	0.6
297.07034	0.1
298.04706	0.4
299.05453	4.2
299.08871	0.3
300.05573	0.1
311.05435	11.8
312.06207	5.0
312.09940	0.2
313.06741	0.2
315.08524	0.1
327.08557	100.0
328.08917	2.9
344.05307	0.2
345.09671	0.1
380.94031	0.1
383.14822	28.6
384.15118	1.0
417.56805	0.1
587.20593	0.1
631.19946	0.8
631.39905	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75483	0.3
55.41235	0.2
55.48014	0.3
62.70978	0.2
63.52637	0.2
65.03911	0.4
67.01865	0.6
67.05463	0.3
68.99786	1.7
69.03411	0.7
70.06609	0.3
71.59486	0.4
72.11310	0.2
79.05498	0.3
81.03408	0.5
81.07043	0.3
84.08158	0.3
85.02874	0.3
91.05464	0.8
95.04980	0.4
97.02893	1.1
105.07049	0.3
110.03688	0.3
111.00786	1.0
118.86673	0.2
119.04944	0.8
121.02951	0.4
123.04439	0.5
127.03919	0.4
133.02849	0.8
134.14020	0.3
135.04390	0.9
136.05093	0.2
137.02341	0.7
137.05975	1.1
138.09138	0.2
139.03923	0.3
145.02795	0.5
147.04422	1.1
149.02368	1.5
151.03886	0.4
151.07521	0.5
153.01805	16.3
153.05426	1.5
162.03049	0.5
163.03877	2.1
164.04655	1.1
165.01788	0.4
165.05466	0.9
166.02634	0.5
167.03409	0.4
167.07079	0.6
168.11279	0.2
171.02931	0.4
171.04355	0.4
177.01877	1.0
177.05440	1.8
179.03354	0.7
179.06973	0.4
181.04926	3.1
181.06360	0.2
189.05508	0.3
191.03328	2.9
192.04153	0.5
197.06018	1.1
199.03990	0.3
200.04651	0.3
211.03970	0.4
212.04773	0.3
213.05481	0.9
215.03387	0.4
215.07191	0.3
217.04889	0.4
219.07925	0.3
223.03922	0.5
225.05441	1.0
227.03450	0.7
229.04953	0.7
231.06514	0.3
233.06186	0.4
239.03426	0.4
241.04968	1.2
242.02083	0.3
243.02905	0.4
243.06462	2.1
245.04370	0.5
251.03508	0.3
253.05139	0.4
255.02960	0.6
257.04474	0.7
262.06308	0.3
265.04816	0.5
269.04535	1.0
269.08105	1.2
270.01682	0.6
271.02383	1.3
274.06326	0.4
277.05130	0.3
279.06635	0.4
281.04382	0.4
283.02383	0.5
285.03860	0.5
290.05716	0.6
291.06473	0.3
293.04581	0.5
293.08054	0.5
295.02454	0.4
297.03909	0.9
298.04587	0.3
303.06650	0.6
305.04440	0.4
307.05920	0.4
309.03973	0.5
317.04559	0.6
317.07913	0.6
318.05276	1.4
319.06140	0.8
321.03885	0.5
325.03589	0.4
329.04556	0.5
330.07541	0.3
331.05722	0.5
333.03998	0.5
333.07642	0.9
334.04605	0.6
335.05389	0.6
337.03601	0.5
339.08527	1.8
343.05942	0.5
345.03885	0.7
346.04654	2.8
347.05560	1.2
347.76996	0.3
348.06360	0.4
349.03436	0.5
349.07175	0.4
351.05078	0.6
355.05923	0.3
357.03958	1.0
358.04654	0.5
359.05573	0.5
361.03314	0.5
361.07141	1.8
362.04126	0.4
363.04959	0.7
371.05573	0.4
372.06351	0.8
373.03302	11.3
374.04053	3.2
375.04904	2.5
376.09592	1.4
377.06610	0.7
378.03577	1.6
379.04547	0.9
383.06128	0.5
383.11072	2.5
385.03281	0.5
386.04230	0.4
387.04956	0.7
388.05643	0.4
389.06580	0.9
390.03418	0.4
390.07761	0.4
391.04190	1.5
391.08777	0.3
393.06012	0.6
399.04767	0.6
400.06116	0.4
401.02762	10.2
402.03342	2.2
403.04431	5.1
404.04395	0.4
404.08987	3.1
405.05890	0.4
406.03207	0.9
407.03156	0.5
407.08066	1.4
415.04565	0.6
416.05249	3.4
417.06155	2.0
418.06537	1.3
419.07913	1.5
420.08337	0.5
421.04947	0.5
421.09854	0.5
422.06424	0.6
423.06973	0.5
431.07974	9.5
432.08279	1.7
433.09164	2.2
436.07831	8.7
437.08057	0.4
446.06360	0.8
449.09140	0.6
451.10361	0.8
457.09354	0.4
458.06403	0.4
461.08575	2.4
469.05392	0.4
471.03159	0.3
479.09390	0.3
481.05890	0.4
501.08032	1.0
509.05115	0.6
524.07037	0.3
525.08527	0.4
525.88776	0.3
527.06274	0.4
539.09814	0.3
552.07184	0.3
555.05188	1.7
581.06903	0.5
583.04968	2.4
585.10345	1.6
598.07825	0.8
599.08093	0.4
607.08679	0.4
613.09674	12.5
631.10730	100.0
632.11151	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	631.1073
Annotation	Strychnobiflavone
Peak:m/z	Relative Intensity
58.43742	0.3
59.92588	0.4
62.39506	0.3
67.01871	0.6
68.99776	1.2
69.03411	0.8
69.57829	0.6
69.58243	1.8
70.06577	0.3
79.05485	0.3
85.02890	0.4
91.05448	0.4
94.04153	0.3
95.04989	0.4
97.02882	1.6
100.48125	0.3
111.00806	0.5
119.04910	0.7
121.02893	0.4
121.61633	0.3
123.04436	0.3
127.03925	1.1
133.02824	0.6
135.04407	1.3
137.02304	0.9
137.06007	1.0
145.02846	0.3
147.04433	0.5
149.02333	0.9
151.03833	0.5
151.07520	0.7
153.01805	15.1
153.05450	1.1
163.03860	1.9
164.04700	1.3
164.06981	0.3
165.05441	0.8
167.03450	0.4
167.07040	0.7
177.01883	1.0
177.05426	1.8
179.03436	0.4
180.07784	0.4
181.04950	2.9
191.03406	2.5
197.05925	0.9
213.05515	0.4
225.05527	0.9
229.05037	0.6
231.02782	0.4
241.04985	0.7
243.02881	0.4
243.06450	1.7
245.04378	0.5
252.04192	0.3
255.02882	0.8
257.04398	0.8
269.04498	0.9
270.01688	0.6
271.02423	1.2
277.05112	0.4
280.35443	0.3
281.04553	0.4
283.02609	0.5
283.05783	0.4
284.03366	0.5
285.04007	0.5
290.05545	0.3
297.03952	1.1
298.04807	0.5
300.02606	0.4
302.05606	0.3
303.06442	0.4
305.04550	0.4
307.06216	0.4
309.03839	0.7
313.03604	0.4
317.04446	0.6
318.05255	1.5
319.05948	0.8
321.04044	0.5
329.03998	0.4
331.02310	0.5
332.06741	0.4
333.07642	0.7
334.04700	0.6
335.05566	0.5
337.03723	0.5
339.08734	1.2
345.03806	0.4
346.04657	2.4
346.08276	0.4
347.05542	1.2
349.03201	0.4
349.07306	0.5
351.04742	0.6
357.03976	0.8
361.03394	0.8
361.07217	1.0
363.05020	1.1
371.05527	0.4
372.06253	0.5
373.03326	8.6
374.04044	2.7
375.04889	2.0
376.09549	1.1
377.06607	0.4
378.03616	1.5
379.04550	1.0
383.11203	2.3
385.03415	0.6
387.04993	0.7
388.05539	0.6
389.02548	0.6
389.06927	0.7
390.03519	0.5
391.04459	1.3
391.08652	0.6
393.06027	0.7
399.05020	0.6
400.05829	0.6
401.02789	10.9
402.03583	1.3
403.04419	4.0
404.04678	0.3
404.09024	3.2
405.05664	0.4
406.02994	0.8
407.08246	1.6
416.05170	3.4
417.06635	1.5
418.06824	1.3
419.07983	1.8
420.08319	0.5
421.05115	0.7
422.05914	0.5
423.07156	0.8
431.07941	9.4
432.08398	1.9
433.09283	2.1
436.07831	8.6
437.08298	0.5
446.06238	0.5
451.10287	1.0
461.08795	2.0
483.07095	0.5
486.05411	0.4
501.08218	1.0
509.04895	0.6
527.06018	0.8
529.07611	0.4
553.07654	0.5
555.05200	1.8
565.03992	0.5
583.04944	2.6
585.09204	1.3
598.07422	0.4
599.08252	0.6
613.09662	11.7
631.10736	100.0
632.11169	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	630.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
51.02375	1.3
53.03943	2.2
53.88847	0.4
55.01870	0.7
55.05515	0.5
55.76780	0.4
57.03424	1.4
57.90668	0.4
65.03925	0.4
65.58092	0.4
69.03420	7.1
69.31475	2.0
69.31904	2.2
70.06573	0.7
71.04980	1.1
71.59129	0.4
73.02909	0.7
78.03443	14.0
79.05489	0.7
80.05016	3.2
81.03407	13.9
81.07041	0.7
85.02887	6.0
86.09700	0.6
91.05467	1.1
93.07001	0.5
94.04171	1.9
95.04940	0.5
96.04482	5.0
97.02872	5.8
97.06506	0.5
99.04475	2.0
103.05463	0.8
105.07020	0.5
106.02902	50.1
107.03237	0.7
107.04957	0.8
109.02864	8.7
119.04879	0.5
120.08018	0.6
121.02844	1.8
121.06505	0.8
122.03692	2.6
124.03934	100.0
125.04269	0.9
127.03896	5.6
131.04897	2.1
131.08607	0.9
133.06471	1.8
136.06142	0.7
137.02335	0.8
137.05957	42.8
143.08560	1.2
145.06458	1.0
147.04424	0.5
148.46536	0.4
151.07536	1.8
153.01773	1.1
157.06474	0.9
159.08041	0.9
161.05971	0.5
163.03926	0.5
163.07500	3.1
166.02831	0.5
166.04993	1.7
167.06996	0.5
171.08034	1.1
174.06761	0.6
175.07541	1.1
177.05466	1.1
184.07373	0.5
187.07480	0.4
188.08257	0.5
189.09068	1.1
196.06084	0.7
203.10664	3.2
208.05966	0.7
219.59096	0.4
224.59378	0.4
226.07062	2.4
232.06136	1.5
250.07077	14.8
268.08121	65.0
269.08267	0.9
286.09201	6.1
295.13263	1.1
312.06503	0.6
313.06622	0.7
327.15848	1.4
347.15079	0.4
365.10080	1.7
383.11172	0.9
582.07404	1.3
594.21924	0.5
612.11749	1.2
612.23749	2.1
630.02466	0.6
630.12866	10.4
630.24951	7.8
631.10999	3.2
647.59692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61509	10.2
55.05495	38.5
57.03434	17.7
57.07073	14.2
58.00649	8.9
67.05493	100.0
68.05830	10.1
69.07043	42.2
69.95247	9.7
70.74594	11.9
70.74975	31.1
71.08601	40.5
79.05496	62.6
81.07039	74.0
83.08592	22.7
91.05452	50.6
93.07027	67.4
95.04937	17.8
95.08601	68.5
97.06526	14.0
99.08059	24.9
105.07029	48.5
107.04935	11.8
107.08561	44.2
109.10139	28.6
117.06986	15.9
119.08566	33.1
121.10096	35.9
123.08031	10.1
123.11658	14.9
125.50596	9.5
129.32300	10.0
131.08527	31.5
133.10107	33.0
135.11665	10.4
143.08556	18.5
145.10045	19.8
147.11681	18.0
149.13274	14.9
153.12251	10.3
157.10118	10.3
159.11642	16.8
171.11687	10.7
173.13193	14.5
179.14297	21.1
219.17343	13.6
243.21063	13.3
275.19989	13.9
277.21561	32.5
291.19611	13.8
335.25742	18.0
351.25195	34.4
611.46729	76.5
612.46338	10.8
629.47717	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05492	2.8
71.60201	1.0
71.60606	1.3
78.10871	0.8
79.05477	1.6
81.03383	0.8
81.07055	1.5
89.31126	0.8
93.07027	1.7
95.04948	1.1
95.08585	1.3
105.06986	1.3
107.04991	0.8
107.08576	1.5
109.10104	1.1
119.08575	1.8
121.10118	1.5
133.10118	1.0
159.11668	0.8
161.09708	0.8
183.11742	0.7
185.13345	0.7
187.14778	0.9
243.11195	1.6
244.11646	0.9
262.96664	0.8
396.12158	1.5
397.12930	2.6
398.13666	1.2
399.14563	1.9
400.15396	1.5
410.13739	4.2
411.14499	8.4
412.15247	6.3
413.16028	5.2
423.14600	2.3
424.16049	3.7
425.16245	18.6
426.16733	12.5
427.17642	5.3
428.18741	4.0
438.13379	3.9
439.13519	25.4
440.13583	2.0
440.19342	6.3
441.19232	46.1
442.19415	3.1
452.14615	5.8
453.15317	27.9
454.15775	7.6
456.18179	1.5
459.20078	1.0
463.13696	1.2
465.15695	1.1
467.17081	33.0
468.17856	26.3
469.18649	15.2
470.19028	1.4
471.16464	2.0
479.13113	1.0
481.14612	13.1
482.15662	2.8
484.21646	5.0
485.17453	2.0
486.18839	1.4
495.16620	2.9
495.21777	1.1
496.17041	17.0
497.17142	1.8
498.19174	1.7
499.20059	1.6
500.20438	5.9
501.21140	1.0
509.18124	2.2
512.20386	3.1
513.21814	6.3
523.19574	2.9
526.18549	1.0
527.18610	1.4
541.20819	53.2
542.21008	2.7
553.20587	1.9
554.16803	1.2
569.20093	100.0
570.20514	7.2
573.23212	3.5
597.19336	31.2
598.19818	1.7
600.21863	2.1
601.22876	14.5
615.20502	1.7
629.21820	75.4
630.22559	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	629.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
67.01849	0.8
67.05480	0.8
68.99775	0.8
69.03403	0.6
69.28155	2.1
69.28577	2.4
70.01527	0.4
79.05466	1.1
81.03375	0.6
81.07033	0.7
85.02909	0.5
90.44487	0.4
91.05452	1.0
93.06997	0.4
95.04948	0.8
95.08601	0.6
97.02838	1.0
97.06506	0.7
105.06983	1.1
107.04943	1.3
107.08554	0.5
109.10098	0.9
117.06869	0.4
119.08547	0.7
119.80537	0.4
121.02847	0.5
125.05897	0.5
134.03629	0.5
135.04367	0.7
137.05942	0.8
139.07523	0.9
147.04391	1.3
149.05959	2.6
151.03879	0.6
151.07498	1.4
153.01802	7.4
153.05403	1.1
160.05156	0.4
161.05957	0.5
162.03136	0.8
163.03864	1.5
165.01807	1.0
165.09033	0.5
167.03372	0.7
167.06960	2.0
168.07797	0.7
171.02811	0.6
177.05440	3.9
178.06209	3.9
179.03389	0.5
179.06987	1.5
181.08548	0.7
187.03961	0.5
191.03334	1.9
191.07019	0.4
193.04886	0.6
195.06459	1.6
197.05965	0.5
205.04939	9.2
208.03612	0.5
213.05403	0.9
225.05382	0.4
229.04863	0.6
237.05415	0.7
239.03313	0.6
241.04930	1.2
243.06326	0.5
253.04840	1.0
255.02637	0.5
256.03510	0.5
257.04263	0.7
269.04474	1.0
269.12723	0.6
271.02417	0.8
281.04291	0.9
283.02640	0.5
283.05905	0.7
285.03979	0.5
287.05438	1.2
293.04474	0.6
295.05991	0.6
297.03848	0.7
298.04623	0.6
300.18079	0.5
303.06381	0.5
305.04279	0.9
305.07721	0.6
307.06015	1.0
309.03882	0.6
310.04477	0.6
311.05499	1.2
312.06198	1.8
313.03287	0.9
315.04776	0.5
317.04288	0.5
318.05124	0.6
319.06052	2.4
321.03799	0.5
323.05487	0.7
331.05920	1.1
333.03922	0.7
333.07477	0.5
334.04947	0.8
335.05478	1.3
337.03323	1.5
339.04874	0.5
345.03766	0.8
345.09488	1.3
347.05264	1.1
348.06216	0.5
359.05396	1.0
363.04794	0.8
365.02786	1.4
373.07123	0.6
375.04736	1.1
375.34686	0.4
379.04486	1.4
381.13226	1.9
387.04797	1.0
388.05508	0.9
389.06372	0.6
405.05865	0.9
407.03726	1.2
408.04395	0.8
421.06003	0.6
433.05246	2.3
435.03223	0.6
436.04016	1.0
437.05511	0.5
453.05841	0.6
455.07266	0.9
463.09750	1.8
469.09018	0.6
479.08273	0.6
485.12091	0.6
499.06161	0.5
509.11951	1.3
522.79932	0.6
525.07898	0.6
529.11224	0.6
539.16656	0.5
541.11346	0.8
553.07166	1.2
555.12476	1.4
571.08582	0.6
579.09290	0.4
581.09503	2.2
583.08246	2.0
597.09863	0.9
599.07800	7.6
611.14526	0.8
614.10382	0.6
624.30176	0.5
629.12714	100.0
630.12964	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	629.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
55.01871	5.5
57.03429	8.0
61.02927	11.2
64.95615	1.1
66.42874	1.2
67.05488	1.5
68.99768	2.8
69.03050	1.6
69.03418	28.5
70.86512	2.8
71.01337	1.3
71.04984	3.0
73.02898	5.2
79.28448	1.2
81.03404	14.2
83.01324	1.6
85.02893	96.3
87.04445	4.0
91.03939	4.3
95.04935	3.3
97.02879	26.9
99.04436	4.5
103.03931	4.9
103.05431	1.1
105.03369	2.9
107.04934	3.7
109.02873	9.2
115.03954	1.4
119.04875	1.7
121.02849	17.8
123.04411	100.0
125.02340	2.1
127.03898	19.2
131.04845	1.5
131.10219	1.0
131.17009	1.0
133.02809	1.8
135.04411	8.7
135.05302	1.6
137.02344	4.6
139.03859	11.5
141.01758	2.4
145.02831	1.7
145.04007	1.2
145.04964	10.4
146.05969	2.1
147.04362	3.1
149.02356	5.6
151.03880	7.3
153.01794	5.7
153.06996	1.9
161.02293	3.2
161.05919	2.6
163.03854	8.7
165.01807	29.8
165.05527	2.0
165.06923	1.1
169.04784	1.3
171.04396	1.2
173.02315	21.0
175.03889	2.9
177.01830	28.4
177.05438	1.6
179.03357	7.7
181.06473	7.4
183.02876	21.4
183.04445	1.9
185.06065	1.5
187.03838	4.1
188.07053	2.9
189.01828	6.2
189.05455	3.1
191.03389	20.3
193.04901	3.2
195.02875	44.0
195.07990	1.7
199.07513	3.1
201.05525	1.9
203.03377	5.3
205.04961	6.3
205.09633	1.6
207.02968	2.5
209.04250	2.3
209.05969	4.3
215.03342	5.3
217.04948	2.7
219.02861	18.6
227.07002	5.0
229.04955	3.1
231.02850	16.7
231.06396	1.8
233.04282	5.4
235.05919	2.5
237.03685	3.5
237.05585	3.9
239.03224	1.1
239.06868	1.5
241.04953	1.2
243.02838	4.1
243.06483	2.5
245.04419	2.3
249.03880	19.5
251.06952	2.3
255.03908	1.9
255.06483	24.1
257.04346	4.7
258.05167	1.3
259.05948	4.4
261.03894	13.0
265.04782	1.9
269.04401	1.6
269.07983	2.5
271.05981	7.7
272.06506	1.3
273.07541	15.9
279.05066	4.3
281.04459	1.7
283.06000	23.1
287.05469	3.2
295.06021	2.6
297.07666	9.7
299.05423	9.8
301.07062	33.5
301.10538	2.4
305.06528	5.7
307.05981	2.7
309.07675	1.5
311.05438	17.6
315.04849	2.6
317.06512	34.4
321.07455	1.9
325.07050	19.8
329.06509	53.1
339.08386	3.0
347.07571	53.7
349.06924	3.1
353.06451	6.2
365.06317	1.9
367.08194	10.3
371.07547	35.6
372.07892	2.0
383.07605	14.2
385.09103	3.4
395.07590	10.4
401.08505	4.6
413.08545	21.2
423.70258	1.3
431.09625	14.0
449.10745	9.5
545.12750	5.9
593.14868	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	629.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	0.5
77.76698	0.4
81.03403	2.7
85.02873	0.5
89.03918	1.3
91.05479	0.6
95.04937	1.0
97.02911	0.9
98.20702	1.6
107.04951	1.3
109.02878	0.5
117.03355	1.5
118.28639	0.4
121.02824	0.4
125.05987	0.6
127.03982	0.5
128.75279	0.4
131.04965	0.5
135.04384	3.0
137.02318	25.7
137.05927	5.0
145.02855	2.1
147.04427	1.3
149.02252	0.4
149.05946	2.6
151.03885	2.1
151.07529	1.7
153.01819	0.4
163.03886	13.0
167.07022	3.5
168.07831	0.6
175.03906	0.6
177.05429	5.2
178.06224	1.9
179.03427	0.6
179.06985	1.2
181.08650	0.6
185.05942	0.6
191.03442	1.0
191.07080	0.8
193.04962	0.7
195.06503	2.6
197.05997	1.5
205.04961	5.4
211.03784	0.5
212.04695	0.7
213.05362	1.0
225.05490	1.3
229.04883	0.9
241.04997	1.2
243.06499	3.1
249.05376	0.5
253.04965	0.7
255.02850	0.9
257.04456	1.2
263.06943	0.6
269.04633	1.2
271.02426	1.4
274.06256	0.5
275.07019	0.9
277.04810	0.5
279.02930	0.5
281.04434	0.6
285.03851	0.5
287.07043	1.5
289.05038	0.7
293.04437	0.6
297.04077	1.0
301.04990	0.5
302.05786	0.7
303.02917	0.6
303.06470	1.7
304.07385	0.7
305.04407	0.7
306.05225	0.5
307.06003	0.5
312.06271	0.8
313.07294	0.7
315.06293	1.4
316.03787	0.4
316.07220	1.0
317.04529	1.0
317.08148	1.8
318.05157	0.6
319.06042	0.8
328.03610	0.8
329.04288	0.6
331.06055	3.9
331.09772	1.8
332.06793	1.8
342.05264	1.8
343.06042	1.4
344.06747	0.9
345.03830	1.1
345.07455	0.8
346.04678	0.6
346.08554	0.6
347.05368	1.0
347.09204	1.9
355.06378	0.5
358.08414	0.5
359.05460	2.7
359.09406	0.6
360.06110	4.6
360.09741	0.5
361.07089	1.1
371.05615	1.0
372.02350	0.9
372.06506	0.9
373.03528	1.8
374.03909	0.8
374.08176	0.6
375.04855	0.9
375.08694	5.4
376.05304	0.6
385.03430	1.3
386.07858	1.2
387.04922	7.4
388.05621	4.9
389.06390	2.2
390.10980	5.6
391.04398	1.0
397.03070	0.8
398.03793	2.1
399.05011	1.1
401.02515	0.9
401.07101	0.8
402.07590	0.6
403.03772	0.8
403.08142	1.5
404.04904	0.5
413.06769	1.2
415.04385	21.6
416.04532	3.0
417.05814	4.8
418.06326	0.5
418.10498	12.8
419.11401	0.9
420.04678	2.6
421.09692	2.7
422.09967	0.9
429.06015	1.9
430.06738	5.4
431.07639	5.2
432.08267	3.9
433.09262	5.8
434.09830	1.4
436.07745	1.1
445.09540	16.2
446.09894	6.7
447.10733	4.1
450.09409	34.9
451.09802	1.9
457.09070	0.7
459.06924	0.5
460.07672	0.7
463.09259	0.5
465.11743	1.5
475.10486	2.0
507.07266	0.8
523.09741	0.5
525.07806	0.8
553.07318	1.4
563.06409	0.9
581.06854	3.7
583.12524	2.7
596.09271	0.5
611.11749	54.7
612.12317	4.5
629.12805	100.0
630.13135	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
54.35276	1.4
55.01864	11.6
55.05506	36.1
57.03433	7.8
57.07086	3.6
59.05007	1.5
65.03925	4.5
67.05496	100.0
68.05816	1.4
69.03411	4.5
69.07059	29.3
69.82464	3.0
69.82881	6.4
71.04988	5.1
71.08649	1.5
71.99290	1.6
75.04469	2.0
79.05481	70.5
81.03409	2.5
81.07046	85.9
83.04972	7.5
83.08610	13.4
85.06536	3.1
91.05471	55.9
93.07032	65.1
95.04977	13.6
95.08595	61.8
95.09220	2.7
97.06508	13.2
97.10152	10.2
98.20718	2.6
99.08096	3.1
103.05499	2.6
105.04534	1.6
105.07014	48.9
107.04935	10.1
107.08578	42.1
107.09254	3.1
109.06492	9.0
109.10137	30.8
111.08062	5.4
115.05455	1.9
115.69432	1.5
117.07005	14.0
118.18791	1.8
118.19637	1.3
119.08563	37.3
120.67016	1.3
121.06499	3.8
121.10127	29.3
121.11009	2.0
123.08080	7.2
123.11712	9.8
125.09597	7.1
129.07005	6.4
131.08543	23.5
132.91843	1.3
133.10112	28.7
135.08064	4.2
135.11673	15.6
137.09586	6.8
139.11198	3.0
141.06979	2.3
143.08565	6.9
145.10101	24.0
147.08003	2.9
147.11681	21.8
149.09622	15.2
149.13261	8.1
151.11189	3.9
153.81746	1.5
155.08563	3.4
157.10115	9.5
159.11673	13.8
161.09569	1.9
161.13217	8.3
163.11180	7.4
163.14848	3.6
165.09117	1.7
165.12813	2.6
169.10135	4.6
171.11636	7.5
173.09653	1.9
173.13246	10.1
175.11232	2.4
175.14868	5.6
183.11719	5.2
185.13287	3.8
187.14815	4.1
189.11258	5.0
189.16310	2.2
191.14345	3.0
195.11627	1.5
197.13260	4.7
199.14879	3.5
201.16525	3.4
211.14842	2.0
213.16397	3.2
215.14307	1.9
227.12840	4.2
227.17897	1.8
229.19569	2.8
239.17992	5.2
240.96323	1.5
243.21104	1.7
247.20578	3.0
254.23402	1.4
257.19089	8.1
259.20596	4.4
261.22205	6.5
273.18484	1.7
275.20026	46.0
277.21628	2.1
293.21191	7.1
297.22504	1.6
317.24692	2.8
331.22751	1.6
331.33328	1.9
335.25726	30.0
335.78851	1.3
349.23703	20.7
385.30814	2.1
515.36951	2.9
517.40814	2.6
529.39331	2.8
535.41638	4.9
553.42322	2.3
591.43622	1.8
609.45062	37.1
610.45764	1.6
627.29901	2.0
627.46136	53.6
628.46112	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
64.15646	0.2
65.03925	1.0
66.33449	0.2
68.99780	0.5
70.06586	0.4
70.67760	0.4
70.68156	0.6
72.94641	0.2
78.27807	0.2
79.05476	0.4
81.03404	0.4
81.07038	0.4
85.02874	0.4
91.05472	0.7
93.07037	0.3
95.04962	0.5
97.02901	0.8
97.06549	0.3
105.03371	0.3
105.07014	0.2
107.04948	0.9
107.33248	0.2
109.02869	0.3
111.04445	0.8
119.04977	0.3
119.08545	0.2
121.02851	14.2
121.06492	0.5
123.04507	0.3
127.03925	0.4
133.02864	0.2
135.04442	0.4
137.02327	1.2
137.05946	0.5
139.07564	0.4
145.02831	0.4
145.06535	0.2
147.04364	1.6
149.05983	0.5
151.03899	0.4
151.07516	0.9
152.04688	0.3
153.01814	0.7
153.05406	0.3
157.06474	0.3
161.06006	0.3
163.03894	1.1
165.01825	0.4
165.05527	0.4
165.09160	0.3
167.07051	1.4
168.07738	0.2
173.02357	0.3
175.03969	0.3
177.05469	2.4
178.06207	1.9
179.03389	0.3
179.07063	1.2
181.04971	0.6
185.05949	0.2
189.01888	0.2
189.05376	0.5
191.03403	0.4
191.06963	1.0
192.07776	0.6
193.04895	0.2
194.09442	0.7
195.06512	2.3
198.05341	0.3
199.03941	0.3
205.05014	1.0
213.05460	1.2
225.05379	0.3
229.04967	0.6
237.05521	0.2
240.04010	0.3
241.04956	1.9
243.06520	0.3
244.42090	0.2
253.05037	0.3
255.02856	0.5
255.06554	0.5
256.07230	0.3
257.04443	0.8
258.05099	1.0
268.03610	1.2
269.04404	1.9
270.01813	0.3
279.06284	0.3
283.02798	0.2
283.06052	0.7
284.06781	2.0
285.03903	1.6
285.07175	0.4
286.04596	1.3
287.05444	7.8
287.08694	0.4
293.04587	0.3
295.05841	0.3
296.03375	0.3
297.04138	1.1
297.07169	0.4
300.06348	0.8
307.05838	0.3
309.04016	0.6
309.07474	0.3
311.05533	0.5
312.06219	14.8
313.03488	0.5
313.06876	0.7
315.05286	0.4
315.08624	0.6
319.06024	0.3
321.04034	0.4
321.07672	0.3
321.78329	0.2
323.05484	0.3
325.06985	0.4
326.07831	0.4
327.05124	0.7
328.05902	0.9
331.05884	0.4
333.04037	0.3
334.04797	0.4
335.01730	0.4
335.05527	0.7
337.06970	0.3
343.08298	1.3
345.09625	0.7
347.05518	0.5
349.03412	0.6
349.07150	0.4
350.08026	0.5
351.04984	0.8
352.05618	0.5
357.09769	2.0
359.05585	0.3
360.06317	0.3
361.03119	0.4
361.07211	0.6
363.04883	1.1
365.06546	0.3
375.04990	0.9
376.06107	0.3
377.06793	0.7
379.04495	1.0
385.09235	1.6
387.04935	0.4
389.06567	0.6
391.04190	1.1
393.05838	0.3
403.04266	0.6
404.05313	0.4
405.05936	2.3
407.03348	0.5
408.52991	0.2
411.07138	0.6
413.06976	0.4
415.04526	0.6
417.01791	0.3
418.06851	0.8
419.04013	1.2
421.04633	1.1
421.09982	0.5
423.07614	0.4
433.05643	0.9
435.10980	0.6
436.08029	0.9
437.08878	0.5
438.07620	0.2
445.05682	0.3
447.02914	2.5
449.08783	0.8
450.09479	0.5
451.09961	0.9
453.12036	1.2
455.07480	0.5
461.05072	2.3
462.05936	0.4
463.10699	0.3
466.07565	0.2
467.08237	0.2
469.05289	1.7
475.06683	0.4
477.08127	4.2
482.06189	0.7
483.07047	0.4
491.09708	1.7
493.07922	0.5
495.09280	1.0
501.08151	0.3
509.10556	0.3
525.08276	1.0
527.09454	0.4
529.07544	0.7
535.06464	0.3
553.07507	1.6
559.12018	0.4
571.08936	0.4
581.07068	16.6
582.07416	0.6
583.09247	0.5
595.08655	0.5
596.09222	1.1
597.10437	0.4
601.13135	1.7
611.11847	2.0
629.12781	100.0
630.03674	0.4
630.13202	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	627.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01865	24.4
55.05504	48.7
57.03421	12.1
57.07074	4.1
58.31351	1.8
65.03928	4.1
67.05495	100.0
69.03429	4.7
69.07058	39.4
71.04990	6.9
71.39233	2.1
71.39584	3.2
77.03949	2.2
79.05479	83.3
81.03403	3.2
81.07042	95.6
83.04980	9.1
83.08611	19.3
85.06529	3.2
91.05465	64.6
93.06435	3.9
93.07030	80.1
94.07443	1.7
95.04948	12.7
95.08592	68.2
97.06520	30.7
97.10150	13.4
99.08052	1.7
105.04531	1.9
105.07018	65.2
107.04293	2.7
107.04945	17.3
107.08577	56.3
109.06517	7.0
109.10145	39.0
109.10883	2.7
111.08100	5.9
115.05416	2.3
117.07004	19.8
119.08556	43.8
121.06524	4.0
121.10114	31.8
121.15963	1.6
123.08078	4.6
123.11694	14.2
125.09615	12.5
128.06239	4.1
129.06976	12.9
130.07762	2.4
131.08546	38.9
131.09471	3.0
133.06616	2.5
133.10115	40.3
133.76416	1.8
135.08046	6.0
135.11674	17.8
137.09605	4.3
137.13274	2.5
139.11156	2.1
141.06996	4.4
143.08536	14.3
145.10097	43.3
147.11674	27.1
149.09595	30.9
149.13214	11.5
151.11166	4.0
153.09135	2.0
155.08578	7.2
157.10091	13.0
159.11681	26.5
161.09627	2.0
161.13228	11.2
163.11133	9.7
163.14810	3.5
167.08559	2.0
169.10117	7.9
171.11633	14.3
173.11816	3.1
173.13251	16.6
175.11208	2.2
175.14833	6.2
177.12685	2.3
177.16206	2.1
179.14331	5.0
181.10112	3.5
183.11665	10.4
185.13217	12.6
187.11160	2.4
187.13333	2.2
187.14786	8.2
189.11156	8.8
189.16389	1.7
195.11745	4.8
197.13248	7.3
199.14880	7.2
201.12891	2.2
201.16396	6.4
202.16475	1.9
205.12289	1.9
207.28973	1.6
209.13333	2.7
211.14830	4.5
213.16469	4.7
215.18015	2.3
223.14932	3.5
227.12753	15.6
229.14293	1.8
229.19583	4.6
233.15440	1.8
239.17940	5.5
241.19630	3.2
243.21124	1.9
247.20567	4.4
257.18994	10.1
259.20480	4.5
261.22180	7.1
275.20029	64.3
277.21655	2.9
293.21033	8.7
297.15820	1.8
317.24753	2.2
333.24374	4.3
335.25769	53.5
349.23682	29.3
367.30154	3.5
383.33432	2.5
385.31046	2.6
423.32550	2.8
441.33612	2.8
505.35458	2.1
513.39508	2.4
515.37177	8.9
517.40485	3.4
535.41583	7.4
553.42529	5.4
591.44025	2.7
609.45093	59.0
610.45428	2.6
627.46118	57.3
628.45941	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20157	1.9
51.02379	2.1
53.03925	5.7
55.01864	24.8
55.05503	42.9
55.96435	1.6
56.88609	1.5
57.03434	11.3
57.07048	5.6
60.13316	1.8
65.03925	8.1
67.05495	100.0
69.03437	3.8
69.07058	39.2
70.89075	4.7
71.04980	6.8
71.08615	1.8
79.05483	83.6
81.03410	4.0
81.07045	99.3
83.04973	7.0
83.08607	24.2
85.06525	5.0
86.42982	1.7
91.05464	70.3
91.65112	2.1
93.07031	77.9
95.01257	1.9
95.04947	12.3
95.08595	71.1
97.06519	28.5
97.10159	15.7
99.08088	4.2
105.04520	2.6
105.07012	63.5
106.07356	2.1
106.38127	1.8
107.04940	22.1
107.08584	65.0
109.06517	10.0
109.10136	32.1
111.08077	4.8
111.11729	1.5
112.23083	1.6
113.97267	1.6
115.05469	2.4
117.06996	26.6
119.08559	50.6
121.06531	4.8
121.09254	3.6
121.10123	38.0
123.08057	6.7
123.11684	17.3
125.09636	14.0
128.06181	2.5
129.06985	12.0
131.07063	1.8
131.08554	37.3
131.74626	1.9
133.06511	1.7
133.10118	44.8
135.08051	6.3
135.11676	21.9
137.09599	3.9
137.13242	3.2
139.11221	1.9
139.17320	1.7
141.06970	5.4
142.07741	2.2
142.21187	2.1
143.08559	15.3
145.10100	38.0
147.08054	2.7
147.11688	27.9
148.30409	2.0
149.09605	31.1
149.13266	13.8
151.11194	4.4
153.12816	2.1
155.08537	7.8
156.09233	1.9
157.10104	14.8
159.11671	26.6
161.09604	2.8
161.13200	13.3
163.11163	10.5
163.14815	4.5
165.09071	2.4
165.12694	3.3
169.10170	11.4
171.10207	2.9
171.11649	19.0
173.13223	19.9
175.14825	6.2
177.12842	3.3
177.16223	1.6
177.28241	2.0
179.14334	5.7
181.10097	3.5
183.11732	9.7
185.13190	9.7
187.11154	4.9
187.13318	2.9
187.14780	10.3
189.11229	9.5
189.12692	2.9
189.16386	3.5
193.10243	2.2
193.37454	1.9
195.11685	3.2
197.13304	10.0
199.14882	5.7
201.16371	5.2
209.13264	4.7
210.14087	1.7
211.14842	4.2
213.16444	4.9
215.17938	3.8
223.14644	3.3
225.16475	2.1
227.12735	12.6
227.18025	3.8
229.19611	5.6
237.16397	2.8
239.17950	7.3
241.19557	5.5
243.15686	2.7
243.21118	2.9
247.20540	2.7
257.18961	10.8
259.20642	6.8
261.18491	1.9
261.22168	7.6
275.20029	77.8
276.20428	2.7
277.21701	4.3
293.20947	8.7
314.87027	1.8
317.24631	2.9
327.26797	2.5
331.22574	2.5
333.24197	4.5
335.25742	64.3
349.23730	27.0
350.24127	2.2
351.26492	1.8
355.30130	2.1
367.29910	4.4
385.31061	2.8
441.33743	4.1
443.30994	2.2
497.37051	2.7
505.35495	3.5
515.37164	9.3
517.40558	6.3
535.41602	8.9
553.42236	7.0
555.40106	2.2
557.37549	2.6
591.43774	4.0
609.45062	81.0
610.45154	6.1
627.46063	69.6
627.56372	3.1
628.46185	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	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.3
51.68930	1.5
53.03936	6.6
55.01866	15.5
55.05243	2.2
55.05501	34.7
57.03426	10.6
57.07058	4.0
65.03932	5.3
67.05496	100.0
69.03412	4.7
69.07059	29.5
71.04617	1.3
71.04978	4.9
71.79696	1.2
77.03922	1.5
79.05482	76.6
81.03412	3.8
81.07044	94.4
83.04968	7.4
83.08606	17.1
85.06549	3.4
91.05464	53.4
91.42238	1.4
93.07031	73.7
95.04955	14.8
95.08592	63.8
97.06529	16.5
97.10157	11.6
99.08088	1.7
103.05413	2.1
105.04526	2.2
105.07018	55.0
107.04954	11.1
107.08575	48.2
109.06509	11.9
109.10139	31.7
111.08092	3.3
115.05393	2.1
117.06996	18.1
119.08566	43.1
121.06484	3.3
121.10119	28.8
123.08067	5.7
123.11704	9.5
123.18308	1.5
125.09636	6.1
127.07616	1.6
128.06232	2.8
129.07025	8.9
131.08548	28.5
131.09473	2.0
133.10106	26.3
135.08023	7.9
135.11679	15.5
137.09570	6.8
139.11166	2.9
141.06995	2.6
143.08537	8.5
144.09245	1.5
145.10107	27.6
147.08035	2.5
147.11667	24.4
149.09615	15.2
149.13214	8.1
151.11143	2.1
155.08553	5.9
157.10107	9.1
159.11708	15.2
161.09596	2.4
161.13239	7.4
163.11215	6.7
163.14728	3.0
165.09187	1.5
165.12740	4.5
169.10146	6.3
171.11684	10.6
173.11821	3.1
173.13269	10.2
175.11075	2.1
175.14841	3.0
177.16405	2.4
183.11707	5.7
185.13263	5.7
187.14804	5.3
189.11223	4.1
189.16325	1.5
191.14395	1.9
193.12212	2.1
197.13327	3.8
199.14883	4.1
203.17946	1.6
207.13725	1.7
209.13379	1.9
211.14854	2.5
213.16373	3.0
215.17836	1.3
219.13618	1.9
225.16461	2.0
227.12770	5.8
227.17838	1.3
229.19467	3.6
239.18024	3.9
241.19504	2.9
243.21027	2.2
247.20454	2.8
257.19012	8.6
259.20627	3.4
261.22028	6.5
267.15982	1.9
275.20013	48.8
277.21579	3.0
293.21130	6.3
333.24258	3.3
335.25726	32.8
349.23700	20.1
351.25269	1.9
505.35425	1.7
515.37372	3.7
517.40332	3.7
535.41119	2.8
553.42236	5.2
609.45044	41.7
610.45599	1.5
627.46027	54.8
628.46307	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	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01859	7.1
55.05275	4.0
55.05505	54.4
57.03419	7.5
57.07058	6.5
65.03940	4.0
67.05497	98.5
69.03427	4.2
69.07053	29.2
71.04967	7.9
71.08624	2.8
79.05485	81.2
81.03399	3.2
81.07045	97.5
83.04965	12.5
83.08614	28.5
85.06552	6.4
88.52347	2.6
91.05467	69.1
93.07027	77.6
95.04952	13.1
95.08591	58.4
97.06525	14.0
97.10152	24.7
97.10744	3.4
99.08067	4.0
105.07021	60.9
107.04949	11.5
107.08576	76.3
109.06484	7.4
109.10138	42.5
111.08118	4.7
117.07002	30.2
119.08573	47.5
121.10121	34.4
123.08064	4.8
123.11701	18.1
125.09595	21.5
128.06229	4.1
129.06969	15.4
129.84119	2.7
131.08539	36.2
133.10106	46.1
135.08055	6.7
135.11679	20.8
137.13232	3.1
141.06943	3.8
143.08569	23.8
145.10107	51.7
146.10634	2.8
147.11667	28.0
149.09631	21.8
149.13286	9.5
151.11208	6.8
154.07785	4.3
155.08583	8.1
156.09279	2.9
157.10133	24.0
159.11661	31.9
161.13211	16.7
162.92563	2.7
163.11258	3.7
163.14833	3.7
167.08504	4.1
169.10118	14.0
171.11630	17.3
173.09621	2.8
173.11868	6.2
173.13275	19.8
175.11279	3.9
175.14844	7.9
177.12724	3.2
181.10112	6.2
181.12225	2.5
183.11649	16.5
185.13284	16.0
187.14806	11.3
189.11249	10.7
189.16356	5.6
195.11699	6.4
197.13300	11.9
199.14870	8.8
201.16382	9.6
203.17767	3.6
209.13268	2.8
211.14874	5.3
213.16426	8.5
215.17979	6.0
225.16431	5.4
227.12782	23.4
229.19582	9.3
229.81993	3.5
239.17972	6.7
241.19615	3.2
253.19533	3.3
257.19070	12.6
259.20682	4.9
261.22266	3.7
267.16025	2.8
275.20038	67.0
277.21796	4.3
333.24319	5.1
335.25775	26.7
349.23566	17.9
351.25665	4.1
367.30096	10.8
383.33093	4.0
385.30923	3.8
441.33566	8.4
515.37213	3.8
517.40503	10.2
523.38654	3.4
535.41406	13.2
553.42291	4.7
563.49054	3.2
591.43634	5.0
609.45074	75.8
609.55078	4.6
610.45227	5.9
627.28351	6.0
627.46100	100.0
628.46680	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	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03938	6.2
55.01867	14.9
55.05507	46.2
57.03435	15.2
57.07067	5.7
59.04983	2.1
65.03932	6.2
66.58828	1.2
67.05497	100.0
68.05826	4.5
69.03419	4.8
69.07059	32.0
69.34341	14.2
71.04996	7.2
71.08614	3.8
79.05115	1.0
79.05482	71.6
80.05827	5.1
81.03407	5.8
81.07047	92.9
82.07392	3.9
83.04971	6.7
83.08609	23.0
85.06528	6.6
88.36107	1.6
91.05467	56.9
92.05809	3.1
93.07035	70.1
94.07371	4.4
95.04399	2.5
95.04960	21.0
95.08592	58.5
96.05304	4.3
96.08907	3.2
97.06512	13.3
97.10156	20.0
97.10746	2.1
98.20753	3.2
99.08092	3.9
103.05472	1.6
105.04464	1.7
105.07022	48.5
106.07349	2.0
107.04959	13.7
107.08580	54.4
108.08924	1.9
109.06509	20.1
109.10145	29.7
110.06860	4.6
111.08094	7.5
113.05994	8.0
114.06313	2.2
115.05489	2.6
116.61518	1.5
117.07001	25.5
118.07356	2.5
119.08561	40.0
120.08871	3.1
121.06522	3.3
121.10127	25.0
122.06899	1.5
123.08087	3.0
123.11697	14.0
125.09634	17.8
128.06239	4.8
129.06993	13.2
131.08563	39.6
132.08893	3.2
133.10121	33.2
134.10428	2.0
135.08058	11.6
135.11674	18.3
136.08414	4.1
137.09613	2.7
139.11171	2.4
141.06995	6.0
142.07793	3.0
143.08562	16.7
145.06465	2.0
145.10112	35.2
145.11261	2.4
147.08073	1.6
147.11670	21.1
149.09604	17.6
149.13228	9.0
151.11179	3.0
155.08527	7.3
156.09322	1.8
157.10117	16.4
159.11665	25.7
160.12025	2.5
161.09613	3.2
161.13261	11.2
163.11189	5.8
164.11449	1.7
167.08510	1.9
168.09341	1.6
169.10133	9.4
171.11624	19.0
173.11761	3.6
173.13217	17.4
175.11174	1.9
175.14842	4.3
177.12770	1.7
181.10088	3.6
183.11726	10.9
185.13281	11.2
187.11354	2.2
187.13313	3.6
187.14842	7.9
189.11200	9.4
189.12675	1.9
189.16428	3.0
193.10146	2.2
195.11726	2.8
197.13362	6.7
197.15065	1.5
199.14764	9.8
201.16435	6.1
207.11809	2.7
209.13219	3.1
211.14830	4.5
213.16423	6.0
215.17978	2.5
217.16042	3.0
223.14948	2.5
225.16547	4.8
227.12758	9.4
227.17969	4.1
229.19589	4.2
231.21094	1.9
237.16408	2.2
239.17958	5.2
241.19521	5.1
243.15930	4.0
243.21146	3.9
247.20485	1.6
257.18988	6.6
259.20660	6.0
261.22198	5.5
273.18567	5.1
274.18835	5.7
275.20041	43.2
276.20511	1.5
277.21722	3.1
287.23846	2.5
291.19437	9.0
292.19867	13.3
293.20410	7.4
297.18741	1.6
297.22018	2.0
299.23630	2.2
311.23773	1.9
333.24283	4.5
335.25790	27.9
336.26071	2.3
347.22348	1.6
349.23685	15.1
351.25827	2.2
365.28336	2.1
367.29898	6.9
383.33218	2.3
385.31223	2.4
421.31183	2.1
423.32495	2.3
441.33484	3.7
505.35303	2.7
511.38220	2.1
513.35974	4.4
515.37140	5.8
517.40399	7.4
529.38239	2.2
535.41351	6.5
535.48859	1.9
553.42480	4.2
555.39685	1.9
591.44135	3.3
609.45056	57.3
610.45203	2.8
627.46014	75.5
648.40448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.1
55.05510	2.0
55.71754	0.4
56.05834	0.4
56.96558	15.5
57.03414	0.6
58.67025	0.3
65.03928	0.4
67.05492	5.4
68.05819	1.1
69.03400	0.5
69.07048	1.6
71.05009	0.4
71.60469	0.5
71.60811	0.5
71.95257	2.6
72.96022	0.9
74.97591	1.5
77.03410	0.4
79.05476	3.3
80.05809	0.5
81.07034	4.4
82.07366	0.9
83.04959	0.7
83.08592	1.4
84.96017	1.1
91.05479	3.3
92.05779	0.6
93.07027	3.3
93.65266	0.4
94.07359	0.8
95.04930	1.0
95.08601	2.7
96.08913	0.8
97.06496	0.9
97.10127	0.8
97.96820	0.5
105.07012	2.9
106.07328	1.1
107.04946	0.5
107.08562	2.5
108.08854	0.6
109.10123	1.5
110.97546	2.6
112.99036	0.5
116.98559	0.5
117.06982	1.1
118.07302	0.7
119.08539	2.4
120.08903	1.1
121.10116	1.1
125.09598	0.9
128.98595	5.0
129.06960	1.0
131.08525	2.0
132.08783	0.6
133.10101	1.4
134.10416	0.9
135.11656	0.6
143.00102	0.4
143.08524	1.4
144.08853	0.5
145.10123	2.0
146.10443	0.9
146.99634	9.0
147.11662	0.8
148.11977	0.5
149.09616	0.7
149.13141	0.5
151.99998	0.5
155.03787	0.6
155.08493	0.7
156.08907	0.5
157.04016	0.4
157.10074	1.1
159.11670	0.7
160.12000	0.6
161.01180	1.7
165.00706	1.8
169.05376	0.5
169.10139	1.1
170.01225	0.9
170.10529	0.9
171.03288	0.8
171.11768	0.7
172.11906	0.5
173.13258	0.7
175.02763	0.6
179.02277	0.6
179.05849	0.5
183.11673	0.6
185.13239	0.5
186.13446	0.5
189.04234	2.0
190.05167	0.5
193.03915	0.5
195.11707	0.6
196.11986	0.6
197.13148	0.5
200.15131	0.7
203.05898	1.2
208.72604	0.5
209.04770	0.4
217.07475	0.7
222.13403	0.5
225.07768	0.6
227.09549	0.6
241.11107	0.9
245.08266	0.5
245.10539	0.7
252.10152	0.5
259.12128	1.2
259.20358	0.6
263.09351	2.5
265.11081	0.6
270.11420	0.5
275.19989	0.8
276.20480	0.5
277.11069	1.4
281.10620	0.9
289.11401	0.5
303.12650	1.7
313.14932	0.6
315.16232	40.1
316.16708	0.6
317.14322	1.0
331.15726	2.5
333.17310	100.0
334.17651	1.8
347.18802	0.6
349.23834	0.5
351.18350	22.6
356.18912	18.9
374.19952	6.0
397.21439	0.5
478.19684	0.4
513.38409	0.4
515.36188	0.8
517.39819	0.5
535.40698	0.7
553.41479	0.6
595.22955	0.5
609.44427	3.7
627.27478	0.6
627.36469	0.7
627.45404	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	627.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
56.96557	20.0
67.05495	1.9
69.07032	0.9
69.32014	3.6
71.95262	3.3
72.96012	1.2
74.97575	1.5
79.05488	1.7
81.07038	1.8
83.08525	0.3
84.96019	1.8
87.38002	0.3
91.05443	1.4
92.98609	0.4
93.07015	1.5
95.04965	0.4
95.08582	0.9
97.06496	0.7
97.10100	0.5
97.96801	1.0
97.99167	0.4
98.21420	0.6
98.97527	1.0
99.98347	0.5
102.97046	0.4
105.07014	1.7
107.08572	0.6
109.06573	0.4
109.10155	0.8
110.97545	2.8
112.99127	0.4
115.97776	0.7
116.98621	0.5
119.08543	1.4
121.10125	0.9
123.01157	0.7
123.04354	0.6
128.98593	8.0
131.00075	0.4
131.08565	0.7
133.10110	0.7
133.98866	0.5
134.99687	0.4
135.11644	0.6
137.02742	0.6
141.02122	0.5
143.00107	0.6
145.10139	0.9
146.99631	11.4
147.03258	0.8
147.11708	0.5
152.00117	0.7
155.03714	0.5
155.08484	0.5
157.10085	0.6
159.11694	0.3
161.01239	3.3
161.04836	0.6
165.00671	2.6
167.07051	0.4
170.01199	0.7
171.03233	1.2
171.11641	0.4
175.02725	0.9
175.06387	0.6
179.02197	1.2
179.05788	0.4
183.06891	0.4
183.11618	0.4
185.04849	0.9
188.03659	0.6
189.04309	2.6
190.05115	0.8
193.03743	0.8
199.06381	0.4
201.04329	0.5
203.05823	1.4
205.07489	0.4
209.04889	0.4
217.07393	0.5
219.08839	0.4
222.07756	0.4
227.09482	0.7
237.10062	0.4
241.11058	1.7
245.08496	0.5
245.10611	0.7
249.07745	0.4
252.10263	1.4
259.12213	1.6
263.09518	3.4
264.10214	0.6
265.11017	0.5
267.06461	0.4
270.11365	1.2
277.11157	0.8
281.10526	1.3
282.11160	0.4
283.12277	0.5
292.19019	0.4
303.12640	2.4
305.14349	0.4
313.14804	0.9
315.16248	43.0
316.16583	1.0
317.14133	0.7
321.13550	0.9
331.15814	2.8
332.18863	0.4
333.17313	100.0
334.17676	2.8
349.16827	0.5
351.18365	55.9
352.18567	1.3
356.18912	18.8
357.19250	1.3
369.19434	1.4
374.19968	11.5
397.21686	0.6
591.37122	1.2
609.45270	0.5
627.18408	0.5
627.28241	2.4
627.46021	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	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37934	4.0
53.03941	8.1
55.01862	9.0
55.05507	36.2
57.03419	11.4
57.07071	5.1
58.36797	3.9
65.03902	4.6
67.05499	69.1
69.07056	31.2
69.33709	41.5
71.04987	3.8
71.08624	79.4
73.06125	3.7
79.05486	59.1
81.03394	8.0
81.06606	6.4
81.07048	72.9
83.08605	16.5
85.06559	6.6
91.05473	55.3
93.07033	71.6
95.04956	13.7
95.08595	42.8
97.06525	15.4
97.10142	10.2
99.08073	48.5
102.81909	3.9
105.07020	64.6
107.04983	12.2
107.08569	37.5
108.94222	4.5
109.06507	5.8
109.10164	23.8
111.08078	5.9
112.07313	3.6
117.02978	4.4
117.06994	18.0
119.08554	51.5
121.10108	21.0
123.08031	6.1
123.11685	5.1
125.09599	8.4
128.06216	7.2
129.06966	22.4
131.08549	49.7
133.10124	33.8
135.11688	21.9
137.09628	3.8
141.06995	7.9
142.07816	4.3
143.08553	28.3
145.10100	33.0
147.11679	22.0
149.09586	4.9
149.13251	10.4
151.11197	14.6
155.08531	11.6
157.10107	24.3
159.11670	26.6
161.13268	31.1
163.11188	8.8
163.14876	4.5
165.12807	4.5
169.10135	16.6
171.11688	21.5
173.11800	7.8
173.13277	17.3
175.14850	14.7
179.14288	29.4
181.10172	9.6
183.11703	8.5
185.13187	22.0
187.14796	9.1
189.12737	4.7
193.10112	5.2
195.11771	8.4
197.13297	5.4
199.14764	10.3
201.16411	7.0
209.13210	10.1
211.14835	6.1
213.16440	4.5
217.19606	4.2
223.14799	5.3
225.16414	5.7
231.21082	4.6
237.16348	6.4
241.19456	28.3
259.20535	32.1
271.17136	4.3
275.20047	6.4
277.21573	36.8
301.10400	4.5
308.71439	4.2
315.23444	4.3
333.24319	24.4
335.25925	8.1
344.87790	4.0
349.23587	4.4
351.25305	37.2
419.33148	7.9
435.32199	7.5
437.33929	31.8
455.35303	6.0
501.35635	5.1
511.37784	21.1
513.35754	14.4
517.40106	9.0
535.41357	15.9
553.42297	6.7
591.43817	8.2
609.45013	66.9
627.46155	100.0
628.46228	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	627.2803
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05512	0.4
67.05495	0.7
69.07049	0.3
79.05484	0.8
81.07038	1.0
82.07417	0.2
83.04990	0.3
83.08626	0.3
91.05467	0.5
93.07035	0.5
95.04964	0.3
95.08605	0.5
97.06514	0.3
105.07057	0.6
107.08589	0.6
109.10156	0.3
117.07047	0.3
119.08569	0.5
121.10118	0.2
131.08473	0.2
138.96149	0.2
143.85271	0.2
159.11722	0.4
171.11646	0.2
183.11664	0.3
213.13791	0.3
225.10040	0.3
229.93933	0.3
259.20670	0.2
281.08563	0.2
314.12927	0.3
328.14258	0.4
377.17590	0.8
378.18314	0.6
379.18915	0.6
390.18396	0.5
391.14944	0.3
391.19321	1.1
392.19943	0.9
393.21005	1.8
394.21582	0.4
395.22305	0.6
403.19144	0.3
404.20572	0.3
405.16586	2.2
405.21597	0.4
406.17374	1.5
406.22299	0.5
407.18262	0.5
407.22650	3.2
408.22745	0.7
409.23944	0.4
418.17520	0.5
419.18390	3.3
420.19110	2.3
421.20111	4.5
422.20877	0.9
423.21906	1.7
433.20139	4.4
433.25052	0.3
434.21155	4.5
435.21906	5.9
436.22531	1.3
447.22653	1.4
448.18820	0.7
449.19556	6.8
450.20047	0.5
451.21277	0.4
461.23895	0.4
462.20477	0.8
463.21124	3.1
464.22070	1.8
465.18268	0.5
465.23041	0.9
466.23837	0.4
467.24503	0.9
476.22098	0.4
477.23526	0.5
479.20331	2.2
480.21277	0.8
481.22229	2.1
489.22485	0.3
491.24127	0.3
492.22290	0.3
493.22260	1.7
494.23090	2.9
495.23721	2.8
496.24680	0.3
506.22678	0.3
507.24094	9.6
508.24338	0.9
509.25235	0.6
510.26147	0.4
521.21558	0.4
523.27563	0.3
525.24579	0.4
526.25604	0.8
535.23779	0.2
537.25470	0.3
539.22418	2.2
549.24963	1.5
552.23236	0.3
553.24622	0.8
566.25043	0.3
567.26013	18.4
568.26398	1.9
581.25146	0.2
595.25439	0.6
596.25720	0.4
599.28571	0.5
609.26837	0.7
609.44788	0.4
627.28040	100.0
628.28387	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	627.2802
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.36084	0.5
55.01847	0.9
56.21303	0.5
67.05482	1.2
69.07051	0.5
70.02791	2.7
74.03662	0.5
79.05489	1.0
81.07037	1.9
89.77119	0.6
91.05482	1.3
93.07036	1.3
95.04955	1.1
95.08580	0.9
105.07059	0.9
105.13570	0.5
117.05675	0.6
117.06979	0.5
119.08568	0.8
120.04459	0.8
121.10157	0.5
129.06972	0.7
131.07268	0.8
131.08589	0.7
136.07581	1.8
138.09128	0.9
144.08156	0.7
145.08810	1.0
146.09622	0.7
158.08362	0.8
170.09628	0.6
174.09119	4.6
182.09683	1.0
185.07195	0.5
186.09052	0.6
187.08723	1.0
187.12259	5.0
188.10760	2.8
197.10768	1.9
198.09224	1.0
199.08681	0.8
200.09467	0.7
211.08662	1.7
211.12122	0.8
212.09308	0.6
213.10246	1.0
215.11763	3.0
221.10652	0.8
223.08603	0.8
224.09377	1.5
225.06577	0.8
225.10188	3.6
226.10805	1.3
227.11815	3.6
235.08783	1.4
236.09645	0.7
237.10197	1.5
239.11833	2.8
241.09492	0.6
241.13408	2.3
243.11267	27.0
248.09460	0.7
249.10219	2.1
250.11015	0.6
251.11833	1.7
252.09096	0.7
253.09579	2.5
261.10172	0.7
263.08221	0.7
263.11792	1.0
265.09851	1.3
266.13446	0.7
267.11301	7.2
269.12955	2.5
271.10754	0.8
277.09750	2.1
279.11166	0.9
284.11526	0.7
285.12283	3.4
291.11365	1.2
293.12912	1.0
295.10651	3.2
299.14014	1.5
300.11398	0.9
301.12680	0.5
301.15540	3.7
302.12830	1.0
304.11026	1.0
304.14471	0.6
305.11603	0.7
306.12717	0.7
309.12320	1.7
314.12866	2.5
315.13809	0.9
316.10828	1.6
316.14389	1.1
317.11542	1.4
318.12354	0.7
319.10742	1.7
320.13889	1.2
325.15524	8.5
326.12982	1.1
327.13336	8.6
328.10809	2.8
328.14493	2.4
329.11621	1.4
329.15317	1.4
330.12277	3.0
330.15878	1.2
332.13934	0.9
334.15649	1.2
340.10751	0.8
342.12399	4.5
342.16028	1.3
343.13098	3.1
344.14029	3.4
344.17706	0.8
345.14722	1.0
346.15375	2.6
348.13321	3.2
351.13196	0.6
354.12354	1.1
354.16208	0.8
355.13718	0.7
356.13928	3.6
357.14651	1.9
358.11649	0.9
358.15497	4.5
359.16217	0.9
360.17130	1.2
362.15073	1.1
367.13214	0.7
370.11487	0.7
370.15668	2.5
371.16205	1.0
372.12900	0.8
372.17090	4.8
373.18005	0.8
380.13992	0.7
384.13092	1.5
384.17401	1.0
386.14832	1.9
386.18762	2.1
390.14395	0.8
398.15045	0.9
400.16556	2.9
402.14444	0.8
403.16016	1.6
407.14630	0.8
408.19617	0.5
412.16525	1.4
416.15781	1.3
417.16693	1.2
418.17825	2.0
419.18665	1.1
421.16870	1.8
422.17740	1.3
429.16916	0.6
430.17383	1.2
431.18451	2.4
432.19421	3.8
434.18491	1.2
435.14078	1.5
435.18716	0.9
436.20319	0.7
437.19922	2.2
445.20084	1.2
447.22556	2.9
448.15857	0.6
449.16043	1.8
449.20828	0.8
450.16208	1.2
450.21533	1.2
451.17572	2.1
460.18652	1.9
461.23337	1.8
462.24899	2.9
463.21893	3.1
464.18173	1.2
465.18808	13.0
466.19659	1.7
472.19324	0.7
473.19751	1.0
474.20041	1.1
475.21170	0.7
478.19901	1.6
479.20486	6.3
480.21274	4.6
481.22333	3.9
489.22940	1.6
490.23044	0.9
491.20764	1.2
492.21552	3.4
493.22894	4.0
494.23053	1.6
503.20081	0.6
504.21164	3.6
505.22821	0.9
506.22876	1.0
507.24136	4.5
508.20978	1.0
512.49554	0.7
517.22217	1.8
519.21313	0.6
520.21600	0.6
521.21393	0.8
521.25739	0.8
522.23517	0.9
535.23273	6.4
536.23578	0.9
539.26923	1.1
541.24219	0.9
549.16376	0.8
549.24878	13.5
550.24597	1.1
552.23755	1.0
553.24188	2.2
563.23157	0.8
567.25958	70.7
568.25879	4.4
577.24518	2.3
595.25452	49.4
596.25482	2.1
609.26392	1.2
613.25714	0.6
623.50427	0.6
627.27966	100.0
628.28381	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	627.2801
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.98875	0.7
54.67271	0.7
55.01871	0.9
55.05507	1.1
67.05495	4.1
69.07033	0.9
71.20226	1.0
72.87096	0.8
73.76196	0.8
73.78599	0.8
79.05484	2.6
81.07050	3.3
83.08627	1.2
85.06593	0.8
91.05473	3.8
93.07041	3.0
94.06541	0.9
95.04966	1.2
95.08591	1.8
105.07030	2.8
107.08586	1.8
109.10174	1.0
119.08589	1.6
121.10131	1.2
123.99533	1.0
129.06984	0.9
131.08549	1.7
131.95659	1.0
133.10141	2.1
138.09142	1.1
143.13379	1.0
145.10127	1.1
157.10068	1.1
173.13174	1.1
174.09157	4.4
187.12242	4.0
188.10715	1.7
196.67023	0.9
207.06438	1.6
208.89226	0.8
211.08601	1.7
213.10371	0.9
215.11830	3.4
224.09412	1.3
225.10246	3.2
226.08710	1.1
227.11848	3.1
235.08675	2.1
237.10225	1.6
239.11801	2.5
241.13383	3.2
243.11279	28.5
249.10258	1.6
250.11154	1.3
251.11842	1.5
252.12451	1.0
253.09708	1.4
265.09595	1.1
267.11295	8.1
269.12952	2.3
277.09763	1.6
279.11249	1.1
285.12399	3.5
291.11203	1.9
295.10898	3.3
301.15558	1.7
304.11130	1.0
309.12341	1.6
313.12259	0.9
314.12943	1.2
315.13583	1.1
316.10983	1.4
320.14081	1.0
323.48019	1.0
325.15488	9.5
327.13498	4.1
328.10745	2.7
328.14291	2.0
329.11411	2.2
330.12360	3.4
331.13129	1.4
334.15521	1.5
340.14642	1.1
342.12381	3.4
342.15970	1.3
343.13257	3.8
344.13852	5.0
345.14539	1.8
346.15768	2.4
348.13440	4.9
351.13464	1.1
354.12030	1.5
355.13068	1.1
356.10190	1.0
356.14120	3.1
357.14856	1.8
358.11673	1.1
358.15421	4.1
370.15973	1.9
372.17117	4.3
374.14871	1.4
381.17493	1.4
386.14902	2.3
386.19086	1.4
400.16647	3.5
403.15909	2.0
405.16989	1.4
407.15219	1.6
413.17346	0.9
417.16937	1.4
418.17133	1.1
419.18558	1.1
422.17377	1.2
423.18188	1.0
430.17667	1.6
432.19333	5.0
433.16232	1.1
435.14032	1.9
436.14951	1.0
437.20050	2.3
446.20715	1.2
447.22491	4.0
449.15146	1.4
449.20486	2.1
450.16580	1.8
451.17749	3.8
460.19250	1.3
461.23557	2.5
462.24936	4.5
463.21533	1.7
465.18741	15.2
466.19925	3.0
477.19336	3.0
478.20084	2.4
479.20251	7.0
480.21622	5.7
481.22043	4.4
489.22791	1.7
490.22314	1.4
491.20871	1.3
492.21368	3.8
493.22089	3.6
494.22366	1.5
504.21320	2.1
507.23898	4.8
508.21606	2.8
517.22430	2.0
520.20947	2.4
521.25433	0.9
535.23499	8.4
537.21484	1.5
540.23059	1.2
541.24164	1.3
549.24860	16.0
550.24585	1.0
552.23462	1.0
553.24207	1.6
567.25964	96.0
568.26324	5.6
577.24530	2.5
595.25439	100.0
596.25830	6.0
599.28137	1.1
609.44177	2.1
627.28027	43.5
627.45074	2.2
628.28302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.2
55.01835	0.2
57.03378	0.5
61.02919	4.1
61.03204	0.2
65.03904	0.1
67.01834	0.1
68.99750	0.6
69.03423	1.0
69.62753	0.2
69.63160	0.9
70.06557	0.3
71.04895	0.1
73.02899	1.1
81.03364	0.6
85.02892	4.1
91.03941	2.4
93.03370	0.2
95.04907	0.2
97.02882	2.7
99.04411	0.3
109.02818	0.5
111.00771	0.9
115.03876	0.2
121.02856	1.0
121.92701	0.1
123.04373	0.2
127.03915	0.9
135.04388	0.2
137.02312	3.4
145.04884	0.6
149.02310	0.4
153.00677	0.2
153.01805	2.8
153.22383	0.1
161.05957	0.4
163.03862	0.6
163.07942	0.1
165.01802	1.7
166.02553	0.2
171.02924	0.2
171.04353	0.2
173.05946	0.3
177.05431	0.3
179.03343	0.2
179.29485	0.2
183.02867	0.6
183.04369	0.3
187.03888	0.2
191.03317	0.2
195.02905	0.3
199.04048	0.1
201.05450	1.4
203.06760	0.1
206.67520	0.1
211.03859	0.5
216.04179	0.8
217.04974	0.2
219.06462	0.3
227.03366	0.5
228.04083	0.4
229.02782	0.3
229.04938	3.7
231.06529	1.0
241.04942	0.4
244.03616	1.6
247.06009	0.7
255.02856	7.1
256.03409	0.3
257.04401	2.5
258.04553	0.2
259.06003	0.7
271.02383	0.3
272.03146	0.8
274.04773	0.7
275.05396	0.2
283.02304	1.1
284.03195	0.4
285.03873	1.2
287.05472	2.1
289.06943	0.2
299.05484	0.2
300.02606	2.7
301.03253	0.2
303.04947	100.0
304.05286	2.5
315.04947	21.7
316.05185	0.8
331.07974	0.3
332.08456	0.2
333.05844	2.6
341.06384	0.3
345.05893	0.8
369.06265	0.7
381.05957	0.2
399.07065	0.2
411.07352	0.2
429.08313	0.3
447.09360	0.4
465.10257	7.7
466.10483	0.3
490.72412	0.1
505.17969	0.1
627.27014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80281	0.6
61.02914	0.6
63.49588	0.6
65.03928	2.5
65.81601	0.5
67.05473	1.9
69.03428	1.7
70.06581	1.1
70.66015	1.0
70.66393	0.9
81.03420	1.4
84.08117	0.7
85.02909	3.1
91.05470	6.2
93.03390	2.2
95.04945	0.7
97.02882	33.5
100.11306	0.9
100.43649	0.6
109.02926	1.1
115.03933	0.7
115.54167	0.6
117.03308	0.9
119.04935	10.4
121.02862	1.8
123.04402	1.2
125.02329	0.7
127.03899	100.0
129.06975	0.7
131.04910	0.7
131.08516	0.9
135.04390	1.0
137.05963	1.0
140.04645	1.0
141.06958	1.2
145.02837	1.7
147.04396	10.5
147.05577	0.7
149.02328	4.2
155.07053	1.3
157.03967	1.1
157.06488	0.8
159.08070	1.5
163.03891	2.1
167.03380	17.6
167.07127	0.9
169.06409	1.2
175.03888	16.4
177.05507	2.4
179.07028	1.3
181.04977	1.5
183.15799	0.6
187.07527	2.2
197.05972	0.7
201.05431	0.8
207.06508	34.0
215.06990	0.9
218.09430	0.8
219.06497	1.0
219.10100	2.5
224.10489	0.9
229.08594	2.4
243.06856	0.7
247.09671	1.6
257.08051	1.8
266.96454	0.7
275.09161	9.9
284.99286	0.6
285.07602	1.2
287.05325	0.7
289.09323	2.9
289.12061	0.7
299.05435	1.2
300.05710	1.1
301.06027	2.1
303.04950	3.3
303.08566	1.8
306.14328	0.6
316.08423	1.1
321.09637	10.1
329.10159	2.0
330.10538	2.5
331.10794	4.6
332.10980	1.9
333.11365	1.7
339.10706	0.9
517.13708	0.7
577.09503	2.6
628.44122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.4
61.02895	0.1
68.99774	0.3
69.03395	0.5
71.37568	0.3
74.12372	0.1
85.02875	0.6
87.04435	0.2
88.44757	0.1
88.54102	0.1
93.77400	0.1
97.02848	0.4
107.01248	0.1
115.03873	0.2
121.02860	0.2
133.04889	0.2
135.04420	0.1
137.02303	0.8
149.02228	0.2
153.01776	0.6
154.24991	0.1
157.02815	0.2
160.05238	0.2
161.05920	0.3
169.06448	0.2
171.04367	0.4
179.03395	0.2
185.06046	0.2
187.04012	0.1
188.04648	0.7
199.03804	0.4
199.05583	0.1
200.04572	0.6
201.05524	0.2
202.02603	0.2
203.03374	0.8
203.06998	0.4
205.04973	0.1
211.01941	0.2
211.03877	2.2
213.05417	0.5
215.03314	0.2
216.04158	4.5
217.04901	0.2
227.03363	2.9
228.04114	1.3
229.04970	0.4
231.02890	0.3
231.06471	4.4
232.06822	0.2
239.03394	0.2
241.04933	1.3
243.02878	0.4
243.06465	0.6
244.03636	8.6
245.04152	0.2
255.02846	32.7
256.03275	1.2
257.04391	0.3
259.06006	3.0
269.04449	0.4
271.02338	1.1
271.05505	0.2
272.03119	3.0
273.03760	0.1
283.02338	4.8
284.03049	1.8
285.03641	0.2
287.05447	10.3
288.05692	0.4
297.04102	0.6
300.02600	12.2
301.03064	0.6
303.04947	2.6
315.04932	100.0
316.05240	2.6
333.05978	11.7
334.06259	0.1
345.06125	0.4
456.09396	0.1
477.10049	0.7
495.11331	0.3
564.48413	0.1
593.71606	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01867	10.2
55.05240	2.0
55.05504	41.2
55.51040	1.4
57.03429	11.1
57.07062	4.8
57.26543	1.3
59.04989	2.2
61.02933	1.3
65.03931	5.0
66.58464	1.4
67.05497	79.0
68.05812	1.7
69.02596	1.2
69.03414	6.2
69.06689	2.4
69.07061	37.0
71.04987	7.5
71.63899	1.9
77.03937	2.2
79.05485	53.5
80.05816	2.1
81.03404	6.0
81.07047	76.4
82.07346	2.1
83.04974	8.2
83.08616	22.2
85.06516	4.5
91.05470	54.1
93.07033	54.4
95.04974	10.7
95.08590	53.8
97.06528	15.4
97.10158	14.7
99.08055	3.3
101.64734	1.3
103.05460	1.5
105.07017	49.8
107.04931	6.1
107.08578	40.6
109.06534	8.2
109.10149	30.3
111.08072	6.4
115.05441	3.6
117.07010	27.7
119.08563	43.8
121.06483	3.5
121.10123	21.2
123.08051	6.0
123.11664	10.2
125.09610	10.1
127.03957	1.8
128.06158	6.9
129.06989	24.5
130.07782	2.4
131.08553	41.3
133.06491	2.7
133.10110	31.3
135.08041	4.7
135.11676	12.8
137.09552	3.5
137.13237	2.7
141.06992	12.0
142.07741	5.6
143.08536	28.8
144.09282	2.5
145.06464	3.2
145.10100	32.5
146.10451	1.6
147.08047	3.8
147.11662	20.1
149.09621	6.5
149.13223	8.4
151.11197	3.5
153.01842	1.4
153.07045	2.6
154.07733	3.1
155.08536	20.2
156.09360	2.7
157.10109	25.3
158.10680	1.5
159.08041	3.4
159.11676	25.0
161.09711	3.6
161.13239	12.7
163.11194	5.0
163.14821	2.6
165.06972	3.1
165.12724	1.9
166.95139	1.5
167.08531	7.3
168.09348	3.1
169.10129	22.6
170.10913	2.2
171.08028	2.2
171.10291	1.8
171.11667	26.1
173.09616	3.8
173.11830	2.5
173.13216	15.9
175.11143	3.8
175.14870	3.2
177.12740	3.4
177.16406	1.9
179.08612	3.9
180.09317	2.9
181.10086	13.3
182.10866	2.9
183.11682	23.2
184.12462	2.3
185.09651	2.4
185.13226	16.4
187.11105	2.7
187.13333	2.5
187.14752	8.1
189.11197	5.9
189.16344	1.6
193.10208	4.4
194.10880	1.9
195.11676	13.1
195.13454	2.7
196.12515	1.5
197.13251	17.5
197.14978	2.5
199.11139	1.8
199.14806	10.4
201.16399	4.6
202.42081	1.5
207.11668	4.4
208.12376	1.7
209.13249	8.4
211.14844	11.8
213.12920	2.4
213.16440	7.6
215.17874	2.6
220.12563	1.6
221.13274	3.7
221.15294	2.1
222.14072	1.7
223.14821	5.2
225.16489	7.1
227.12672	2.8
227.18022	5.0
229.19603	2.5
233.19066	1.6
235.14830	3.7
237.16432	5.0
239.17911	7.8
241.19576	7.8
243.15918	4.8
249.16428	2.2
253.19521	4.4
257.19125	5.2
259.20511	8.6
261.22025	1.8
262.30042	1.6
263.17920	2.3
265.19415	1.9
267.21024	2.3
273.18484	4.8
275.20132	12.5
277.21857	2.6
283.20496	3.5
291.19650	2.3
297.22107	2.7
311.23611	2.5
313.21594	2.9
315.23285	3.6
317.06433	2.3
323.23825	2.4
325.25284	2.4
333.24429	7.9
333.75662	1.7
335.23785	1.8
339.27115	1.6
347.22748	2.0
349.23920	6.7
363.26697	2.1
365.28439	9.3
371.25897	2.2
379.30045	2.3
381.27505	2.5
381.31595	4.3
383.29517	2.9
389.27460	2.0
395.29434	1.7
403.29910	2.0
421.30972	3.7
439.32166	5.3
445.29477	9.4
463.30783	3.1
513.35626	14.2
515.38715	9.5
533.39825	14.5
551.40839	9.4
555.36395	2.0
579.40936	1.5
589.42609	2.4
607.33759	2.9
607.43518	55.3
625.27209	4.4
625.44556	100.0
626.27325	4.1
626.44867	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	13.1
55.03973	1.5
55.05503	33.8
57.03431	9.5
57.07058	5.3
59.04991	2.1
65.03915	3.2
67.05495	69.7
67.32186	1.4
69.03419	2.9
69.07058	31.5
70.10393	3.5
70.10809	2.7
71.04981	4.3
79.05482	51.7
81.03403	3.3
81.07044	71.7
83.04969	9.0
83.08606	17.2
85.06538	5.6
91.05465	49.9
91.59608	1.2
93.07030	52.8
94.90224	1.5
95.04958	9.9
95.08590	47.9
97.06519	14.5
97.10135	9.1
98.20696	1.7
99.08087	1.9
103.05451	2.8
105.07011	47.2
106.07345	1.4
107.04957	4.3
107.08577	33.5
109.06500	5.5
109.10142	27.3
111.08078	4.0
113.09711	1.4
115.05438	3.1
116.37247	1.5
117.07002	26.2
119.08563	38.3
121.06505	2.5
121.10141	22.7
123.08076	5.1
123.11681	8.1
125.09608	6.7
128.06216	6.6
129.05516	1.7
129.06989	23.6
130.07797	2.4
131.08543	36.2
131.09457	2.6
133.06503	2.8
133.10114	31.6
135.08043	4.5
135.11674	12.8
137.09590	3.3
137.13255	1.9
139.11150	2.8
141.06946	8.6
142.07771	5.6
143.08534	23.9
144.09303	2.2
145.06490	2.6
145.10103	32.1
147.08069	2.1
147.11662	19.6
149.09543	6.7
149.13249	6.3
151.11197	2.3
153.06996	2.8
154.07768	2.2
155.08521	17.6
156.09265	2.9
157.10124	25.2
159.08069	2.8
159.11678	24.3
161.09642	3.6
161.13242	10.8
163.11169	5.0
163.14815	2.8
165.07018	2.2
165.12741	2.7
167.08533	8.5
168.09312	2.5
169.10117	21.5
171.08064	2.2
171.11681	19.4
172.12253	1.7
173.09686	2.5
173.13251	12.7
175.11214	2.8
175.14838	5.9
179.08554	2.9
179.14354	1.9
180.09328	2.6
181.10109	11.3
182.10844	2.3
183.11659	20.0
185.09674	2.2
185.13231	10.9
187.11226	2.5
187.13304	1.8
187.14766	6.9
189.11250	2.5
193.10109	4.2
194.10887	2.3
195.11678	12.7
197.13269	12.6
199.11137	2.4
199.14792	10.7
201.12753	2.7
201.16444	2.1
203.14328	2.5
207.11697	4.5
209.13202	9.7
211.14790	8.4
213.12849	2.2
213.16425	5.7
215.14450	1.6
215.17993	1.9
217.15834	1.7
219.11699	1.7
221.13281	4.2
223.14854	6.0
225.12769	1.7
225.16423	7.1
227.12656	3.0
227.17989	2.8
235.14786	3.5
237.16396	3.4
239.17964	4.5
241.19443	6.6
249.16331	3.3
251.17992	3.3
253.19621	2.2
257.19019	3.6
259.20602	10.8
261.22018	1.7
265.19708	1.4
267.15677	1.7
269.18915	1.8
273.18521	3.8
275.20047	15.0
283.20618	1.6
289.21683	1.9
292.19260	1.8
309.21909	1.5
311.23874	2.0
313.21692	1.7
315.23181	4.3
317.24918	2.0
327.23337	1.6
333.24179	5.2
337.25098	1.6
339.23087	2.3
347.22150	1.5
349.23950	4.9
363.26819	1.7
365.28494	5.1
381.31931	1.5
383.29318	2.6
403.30124	3.0
421.31046	4.6
439.32175	2.6
445.29730	3.6
495.34393	3.5
511.37643	2.2
513.35602	20.2
515.38739	7.4
527.37451	4.7
533.39642	13.1
551.40875	14.7
555.36896	4.3
569.41119	2.3
589.41882	3.3
597.45508	1.8
607.43494	49.6
608.43896	3.8
625.44543	100.0
626.44757	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03936	3.4
55.01860	4.6
55.05504	24.5
57.03429	2.9
57.07030	1.5
59.04956	0.6
65.03937	3.0
66.30109	0.5
67.05497	46.7
69.03423	9.2
69.07060	25.4
71.04984	2.9
77.03894	0.9
79.05484	44.8
80.05823	0.7
81.03409	3.0
81.07047	38.6
83.04974	3.0
83.08606	7.4
85.06498	1.4
91.05469	29.4
93.07034	38.8
94.04128	0.5
95.04414	0.7
95.04955	11.0
95.08595	24.8
97.02879	10.3
97.06523	3.7
97.10162	8.8
99.08084	0.9
103.05407	1.0
105.04465	1.1
105.07019	20.1
107.04936	5.1
107.08579	22.4
109.06511	3.7
109.10143	12.3
111.04380	0.5
111.08059	2.4
115.05406	1.7
116.06174	0.8
117.07003	10.6
119.04931	0.6
119.08569	16.4
121.06483	2.5
121.09289	1.0
121.10132	15.6
123.08062	2.7
123.11651	2.1
125.09619	7.1
128.06160	1.3
129.06999	3.4
130.07724	0.9
131.08549	10.0
133.06424	1.9
133.10115	8.8
135.08035	2.9
135.11679	8.2
137.09575	2.3
141.06996	1.0
142.07692	0.8
143.08556	4.7
145.06494	0.9
145.10109	6.9
146.80797	0.5
147.08037	3.7
147.11668	4.7
149.09558	2.0
149.13237	5.5
151.07481	0.6
151.11095	0.9
153.09111	1.0
155.08505	1.4
157.10106	3.5
159.08046	0.7
159.11696	5.2
161.09561	2.3
161.13246	2.6
162.10245	0.5
163.11156	1.1
163.14882	1.0
165.09035	1.4
167.08513	0.6
169.10077	1.2
171.11642	2.6
173.11787	1.0
173.13210	3.3
175.11143	1.9
175.14735	1.4
177.12738	1.3
179.10689	0.6
181.10065	1.0
183.11725	1.2
185.13240	1.4
187.11266	0.5
187.13272	0.5
187.14804	1.3
189.11188	3.0
189.12730	0.9
193.12157	0.7
195.11850	0.9
195.13756	2.3
199.11090	0.7
199.14716	0.9
205.12234	2.1
209.13132	0.7
211.14815	0.8
213.14751	0.6
213.16489	0.8
223.13261	21.1
224.13518	0.6
227.12740	1.4
227.17961	1.4
237.16570	0.7
243.20862	0.8
245.19035	1.3
249.14687	1.2
255.17480	1.1
259.28564	0.5
261.22113	4.5
263.19983	1.1
273.15665	1.0
273.18460	14.0
275.20032	0.9
291.19504	100.0
292.19882	3.4
309.20615	1.5
315.22983	0.5
317.24606	1.4
323.36511	0.5
335.25970	2.6
347.22256	1.9
365.23398	1.5
515.38544	1.0
533.39807	0.7
551.40686	0.7
593.24982	0.5
607.43689	2.6
625.44543	76.1
626.44946	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01862	7.7
55.05507	24.4
57.03430	3.4
57.07064	2.7
60.73019	0.9
65.03928	3.2
67.05498	56.6
69.03417	9.8
69.07061	42.9
69.07435	2.5
71.04978	3.3
71.35654	2.5
79.05487	48.8
81.03402	4.2
81.07049	47.7
83.04971	6.0
83.08620	9.5
85.06518	1.5
91.05467	33.5
93.07037	47.6
95.04412	1.9
95.04967	25.3
95.08595	29.2
97.02865	7.0
97.06506	9.8
97.10139	8.8
103.05454	1.4
105.04502	1.1
105.07029	28.7
107.04959	8.0
107.08584	28.9
108.05738	1.3
109.06517	8.8
109.10149	15.9
111.08079	3.9
115.05418	2.2
117.06998	11.6
119.08569	18.8
121.06496	3.3
121.10130	15.3
123.08054	4.6
123.11700	4.6
125.09652	6.9
128.06239	1.7
129.06963	5.2
130.07762	1.0
131.08553	15.7
133.06496	2.9
133.10104	14.1
135.08025	5.2
135.11658	11.4
137.09601	2.5
141.06966	1.1
143.08583	6.8
145.06490	1.9
145.10120	11.0
147.08020	7.8
147.11674	9.4
149.09627	4.2
149.13264	8.5
151.11070	1.0
153.09105	1.5
153.12689	1.3
155.08565	2.2
157.10115	6.5
159.11659	8.5
161.09602	2.0
161.13196	6.0
163.11183	2.6
165.09212	2.2
167.08589	1.7
169.10135	3.9
169.12334	1.6
171.10287	1.6
171.11685	4.6
173.11887	1.5
173.13191	5.4
175.11217	2.4
175.14870	1.8
177.12794	3.1
177.16431	1.1
180.84837	1.1
181.10078	2.3
183.11726	2.7
185.13295	3.0
187.14725	2.5
189.11203	3.0
189.12715	1.5
195.11841	1.4
195.13800	3.2
197.13277	2.3
199.14862	2.1
205.12259	2.6
209.13318	1.7
216.80975	1.1
217.15878	1.7
219.62497	1.2
223.13229	9.1
227.12866	1.3
227.17996	1.9
237.16425	1.5
241.19406	1.9
245.19048	1.6
249.14839	2.0
255.17604	1.7
259.20673	1.6
261.22156	3.0
265.19562	1.5
273.18451	25.0
275.20099	4.4
291.19513	100.0
292.19894	3.5
317.24756	1.7
333.24292	1.6
335.25836	5.5
347.22293	4.4
349.23810	1.7
365.23187	2.9
438.05167	1.3
515.38641	1.9
527.36877	1.2
533.40143	2.0
587.23834	1.2
607.43604	8.9
625.27893	2.3
625.44580	79.1
626.44641	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.3
52.03123	0.6
53.03934	4.0
55.01867	8.7
55.05506	16.8
57.03430	24.6
57.07027	2.5
65.03930	4.9
67.05496	71.8
69.03375	2.6
69.07060	13.5
71.05000	4.0
71.10502	1.6
77.03882	1.4
79.05484	58.6
81.03402	3.8
81.07043	43.2
82.07331	0.9
83.04961	4.8
83.08610	6.3
85.06532	18.5
91.05466	44.5
93.07034	52.6
94.07333	1.4
95.04958	46.1
95.08595	29.4
97.02822	0.8
97.06531	4.5
97.10107	3.0
99.04380	0.9
99.08047	1.6
101.05990	0.7
103.05408	2.0
104.60783	0.8
105.04494	1.5
105.07013	28.8
106.04077	0.9
106.07317	0.7
107.04939	10.2
107.08577	26.2
109.06503	62.4
109.09528	0.8
109.10146	9.1
111.08092	3.2
111.08720	0.6
113.05991	45.5
115.05408	2.8
116.06214	1.6
117.07007	14.8
119.08561	17.5
121.06499	4.7
121.09268	0.8
121.10122	15.1
123.08041	4.3
123.11662	2.0
125.09586	1.5
128.06155	2.1
129.06992	8.2
130.07738	1.9
131.08551	20.1
133.06418	2.9
133.10112	10.1
135.08035	40.3
135.11661	10.3
136.08418	0.8
137.05923	1.2
137.09575	2.1
137.13184	0.8
139.81345	0.7
141.06927	2.2
142.07748	1.6
143.08537	8.6
145.06476	1.7
145.10120	13.5
147.08029	5.4
147.11636	5.2
149.09604	5.7
149.13239	5.0
151.11163	1.4
155.08539	2.0
157.10095	7.0
159.08000	2.9
159.11682	8.9
161.09604	8.2
161.13208	2.5
163.07437	0.8
163.11194	3.2
165.09108	1.7
169.10013	2.1
171.11679	4.3
173.09525	1.9
173.11908	0.7
173.13275	4.0
175.11137	2.4
175.14711	1.0
177.12704	3.3
179.14288	1.2
181.10019	1.2
183.11644	2.0
185.09535	1.0
185.13203	2.5
187.11136	1.6
187.14743	2.1
189.12711	1.3
189.16289	1.4
191.14372	0.7
195.11729	1.1
195.13777	1.9
197.13156	1.3
197.47488	0.7
199.11110	1.8
199.14824	3.9
201.12656	2.7
205.12155	0.8
211.14746	0.7
213.12787	1.1
213.82475	0.6
217.15862	19.0
218.15981	0.7
219.13730	1.3
223.13167	1.7
227.17889	2.7
233.15303	1.8
233.64789	0.8
237.16350	1.5
243.21155	0.6
245.18938	2.6
255.17488	3.3
259.20474	0.8
261.22113	1.3
267.60901	0.7
273.18454	32.6
274.18826	1.2
275.20050	0.9
291.19501	100.0
292.19806	4.0
309.20587	2.3
329.21201	0.7
335.25772	8.2
347.22095	5.1
365.23096	2.1
372.53400	0.8
607.42981	3.2
625.44525	35.1
626.44769	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01864	34.7
55.05506	32.6
56.59626	1.3
57.03429	13.1
57.07061	5.3
58.36649	1.5
61.03433	1.6
65.03935	4.5
66.19821	1.4
67.05496	62.2
69.03421	2.2
69.07060	78.1
71.04994	3.6
71.08626	1.4
72.45290	1.5
74.32159	1.5
79.05481	47.7
79.05931	3.1
81.03408	5.7
81.07045	69.6
83.04964	8.5
83.08612	12.4
85.06521	4.0
91.05469	56.5
93.07034	48.5
95.01277	2.4
95.04948	9.9
95.08595	45.8
97.06519	46.3
97.10167	6.0
98.31065	1.5
99.08107	4.3
103.05457	2.5
105.07015	69.7
107.04948	13.2
107.08580	31.4
109.06505	7.4
109.10152	18.1
111.08069	4.8
115.05447	3.5
116.95802	1.3
117.06998	24.9
119.08568	49.5
121.06533	5.2
121.10124	18.6
123.08054	6.1
123.11693	4.2
125.09631	6.7
128.06229	5.4
129.06995	21.8
130.07785	1.9
131.07097	2.1
131.08543	50.3
133.06480	3.1
133.10114	35.3
135.08086	4.3
135.11665	15.3
137.09642	3.0
139.07425	1.8
139.11189	2.1
140.27861	1.5
141.06958	10.5
142.07745	4.4
143.08534	32.4
144.09341	2.8
145.06500	3.0
145.10109	37.7
147.08047	4.6
147.11653	27.8
149.09578	9.4
149.13243	7.4
149.41138	1.3
151.11151	3.4
153.06996	2.3
155.08546	16.8
156.09392	1.7
157.06471	1.6
157.10117	26.1
159.07993	2.5
159.11684	31.2
159.12958	2.1
161.09636	1.6
161.13235	22.4
163.11136	6.7
163.14738	2.8
165.07045	2.8
165.09146	1.8
166.07722	1.9
167.08536	8.6
168.09393	2.2
169.10121	20.7
170.10884	1.8
171.08037	2.2
171.10196	4.9
171.11703	23.5
173.09579	1.7
173.13239	19.1
175.11201	4.3
175.14798	9.8
177.12770	4.1
179.08493	3.5
179.14357	5.7
180.09337	1.5
181.10109	13.4
182.10870	1.4
183.11662	22.0
185.09612	2.5
185.13226	18.9
187.11218	2.8
187.14754	9.5
189.12730	2.6
189.16483	2.2
193.10141	1.9
194.10895	1.4
195.11681	12.2
197.09561	2.2
197.13275	13.8
199.11154	3.1
199.14807	14.2
201.16367	3.3
203.14407	1.5
205.10251	2.0
207.11729	5.1
209.13303	8.8
211.14789	8.5
213.12840	2.7
213.16409	5.9
215.18028	3.0
217.15828	1.8
217.19586	3.3
219.17468	5.8
221.13268	5.5
222.13962	1.6
223.14833	6.9
225.16374	4.0
229.19606	1.9
231.21123	2.4
235.14806	4.7
237.16365	6.8
237.28259	1.5
239.18001	5.3
241.19516	18.2
247.14703	2.1
249.16426	2.3
251.17967	2.3
253.19543	1.7
255.21170	1.7
257.18964	7.5
259.20569	19.7
261.16284	1.8
269.19119	2.1
273.18390	7.3
275.20041	42.3
277.21860	3.0
279.21021	2.2
283.20477	2.6
285.22131	3.4
291.19589	3.0
293.21277	3.3
297.22104	6.5
307.20633	2.0
311.23639	3.0
315.23300	6.1
321.22214	2.2
323.23795	2.1
325.21631	1.9
325.25296	2.6
331.22894	2.9
333.24210	25.1
339.23151	2.5
343.22571	1.6
349.23611	29.6
353.24719	2.1
363.27176	1.8
365.24570	2.4
381.27838	1.9
393.27927	1.7
417.31314	3.0
419.33078	4.5
421.31140	2.9
435.32684	7.9
437.34122	17.9
443.32867	1.7
445.30795	2.0
455.35101	2.2
461.33835	1.9
475.35785	2.5
477.37469	2.2
485.32013	1.8
487.39767	2.0
493.36868	3.7
497.37561	1.8
501.35638	4.9
505.40622	1.9
509.36050	2.8
511.37793	13.9
512.38440	1.9
513.35693	10.0
515.38837	9.4
527.37286	5.1
529.38599	6.7
533.39807	11.9
551.40833	10.4
553.38959	5.0
555.36725	7.8
556.37512	4.2
565.28754	2.1
597.44812	2.2
607.43488	61.7
608.43713	4.9
625.28802	6.0
625.44543	100.0
626.44897	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03925	3.8
55.01865	13.2
55.05503	37.5
57.03432	7.5
57.07059	3.8
59.04972	2.1
65.03920	4.3
67.05493	54.9
69.03403	3.1
69.07058	28.3
71.04959	6.7
71.08628	1.7
71.95817	1.2
79.05027	2.8
79.05479	46.0
79.05939	2.9
81.03412	2.6
81.07043	65.7
83.04980	7.0
83.08603	16.2
85.06524	3.7
91.05463	42.1
91.06039	2.0
91.47087	1.3
93.07028	42.9
95.04944	9.8
95.08589	37.2
97.06533	11.6
97.10144	10.3
99.08092	2.1
103.93607	1.3
104.46915	1.3
105.07013	40.3
107.04942	3.7
107.07921	2.5
107.08582	31.5
109.06511	2.7
109.10137	23.8
110.87862	1.5
111.08058	5.1
115.05437	5.3
117.07001	22.5
119.08563	33.0
121.06503	2.8
121.10110	16.3
123.08069	3.9
123.11691	11.0
125.09605	8.5
128.06201	5.0
129.06982	22.4
129.07890	2.3
130.07799	2.2
131.08546	28.1
133.06476	2.2
133.10117	26.5
133.11040	2.5
134.10371	1.4
135.08034	4.8
135.11668	11.9
137.09595	4.3
137.13297	1.3
141.06973	8.0
142.07768	5.6
143.08531	21.9
145.10095	27.9
147.08046	2.7
147.11668	16.4
149.09587	7.8
149.13257	4.6
151.11174	3.5
154.07776	2.8
155.08540	17.3
156.09279	3.0
157.10101	21.4
159.08026	2.6
159.11667	21.1
161.09622	2.8
161.13229	8.0
163.11179	4.0
165.06987	3.1
166.07828	1.3
167.08551	7.5
168.09354	1.3
169.10089	18.4
170.10925	2.2
171.08043	1.3
171.11682	18.6
173.13231	14.5
175.11142	2.4
175.14815	5.5
177.12642	1.3
179.08546	3.9
181.10121	8.5
182.10895	3.3
183.11681	16.0
184.12209	1.6
185.13242	14.0
187.11110	1.4
187.14787	5.8
189.11209	4.1
191.14252	1.4
193.10112	5.9
195.11641	9.2
197.13213	14.8
199.11131	1.8
199.14795	8.7
201.12798	2.0
201.16444	3.2
205.10085	1.9
207.11728	3.0
208.12506	1.7
209.13240	8.8
211.14758	9.2
213.16399	5.6
215.18100	1.8
221.13257	4.5
223.14838	4.8
225.16455	5.9
227.12636	7.5
227.17958	3.7
233.13329	1.7
235.14803	3.0
237.16318	5.1
239.17950	6.4
241.19524	5.5
243.15950	3.6
249.12720	1.4
249.16228	2.2
251.17921	3.3
253.15730	1.4
253.19505	2.4
255.21135	1.6
255.98723	1.4
257.19064	5.8
259.20596	7.7
263.17923	2.1
273.18527	3.0
275.20001	10.7
277.21942	2.1
311.20102	2.1
311.23563	1.8
313.21768	1.4
323.23538	1.8
325.25214	1.7
327.23486	1.9
333.24307	6.9
335.23874	1.6
339.23276	1.8
349.23859	4.5
353.24762	1.8
363.27130	1.9
365.28296	6.9
379.29959	2.1
381.31793	2.4
383.29440	2.3
403.30069	2.4
421.31064	6.4
439.32120	4.1
463.32056	1.8
495.34763	2.5
513.35577	22.1
515.38708	10.0
527.37714	2.2
533.39679	12.5
551.40796	7.4
555.36395	2.9
589.42615	2.1
607.43457	45.9
608.44318	3.2
625.44513	100.0
626.44885	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	1.7
53.03928	5.1
55.01870	15.5
55.05502	32.3
55.60488	1.5
57.03421	8.0
57.07057	4.6
60.51706	1.7
61.18423	1.5
65.03916	4.8
67.05498	69.7
69.03420	3.0
69.06693	2.9
69.07056	45.1
70.22157	3.8
70.22568	6.1
71.04971	4.6
71.08620	1.9
76.79317	1.5
78.50925	1.6
79.05479	54.4
79.17110	1.8
81.03398	3.6
81.07045	68.3
83.04960	8.6
83.08609	13.5
85.06521	5.9
91.05465	54.6
93.06442	3.0
93.07029	53.9
95.04958	11.4
95.08007	3.4
95.08592	45.3
95.09202	2.6
97.06514	15.8
97.10178	7.9
98.20581	2.0
99.08101	2.7
103.05446	3.5
105.04482	2.3
105.07016	56.1
107.04940	5.4
107.08580	30.8
109.06491	6.0
109.10138	20.2
109.10804	2.6
111.08041	4.1
115.05453	4.7
116.06289	1.9
117.07004	25.0
119.08563	42.4
121.06494	5.0
121.10123	21.2
123.08038	4.6
123.11697	7.4
125.09595	5.1
128.06204	6.5
129.06996	19.5
130.07774	1.7
131.08553	37.1
133.06467	3.1
133.10115	34.8
134.98685	1.7
135.08041	6.8
135.11696	10.8
137.09612	5.5
141.06963	7.8
142.07758	4.8
143.08548	25.1
144.09322	1.9
145.06491	2.4
145.10106	33.3
147.08002	4.3
147.11665	21.0
149.09613	6.7
149.13264	6.8
151.11110	2.9
153.06975	2.6
154.07758	2.9
155.08537	14.8
157.10100	21.7
159.08035	2.9
159.11678	24.0
161.09660	4.1
161.13237	15.2
163.11281	3.6
165.12747	2.5
166.07721	2.0
167.08516	6.0
168.09335	3.4
169.10124	17.7
171.08179	2.1
171.11626	20.0
173.09634	2.6
173.13278	15.4
175.11230	4.1
175.14828	6.9
177.12732	3.1
179.08588	3.3
179.14322	2.7
181.10112	6.9
182.10849	2.0
183.11687	15.4
185.09615	2.2
185.13203	11.4
187.11145	2.2
187.14833	5.3
189.12738	2.7
189.16399	2.7
192.09317	2.5
193.10115	3.5
195.11548	10.2
197.09570	2.1
197.13199	13.4
199.14783	10.4
201.16252	2.6
207.11629	3.4
209.13283	5.4
211.14708	9.1
213.16446	4.5
215.14424	2.0
221.13098	2.7
223.14792	6.4
225.16370	3.2
227.18033	2.9
229.19505	1.9
231.20889	1.7
235.14690	2.9
237.16273	7.6
239.18048	3.1
241.19569	7.3
253.19681	2.3
257.18988	5.7
259.20514	9.2
263.20172	3.4
271.20538	4.2
273.18573	8.0
275.20123	17.3
285.22092	1.9
289.21671	6.1
297.22083	2.9
313.21539	3.7
315.23178	4.0
333.24216	7.0
341.24817	2.1
347.22086	2.3
349.23907	7.1
353.24997	2.0
367.26138	2.1
391.29810	1.6
395.29639	2.3
403.28467	1.9
405.21460	2.9
409.30850	1.9
433.20306	3.8
434.20929	2.2
435.32413	1.8
437.34073	4.4
449.15765	4.1
451.21289	5.5
463.17764	6.8
464.18298	2.2
465.19177	4.3
478.19992	7.5
479.20358	6.1
491.20670	2.8
495.34341	2.0
497.37741	1.7
511.37433	2.8
513.35938	8.8
515.38788	7.6
527.37329	7.1
533.39819	14.3
551.40558	11.0
555.36841	3.4
565.24329	20.3
566.24713	3.4
589.42535	2.7
597.44861	5.1
607.43390	47.9
608.43573	4.1
625.26697	77.0
625.44464	100.0
626.26837	16.1
626.44641	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01867	8.3
55.05502	30.4
57.03419	6.7
57.07053	3.3
64.87537	1.3
65.03925	3.7
67.05145	2.8
67.05495	54.9
69.03411	2.3
69.07054	26.7
69.90984	4.3
69.91415	4.3
71.04969	4.5
79.05479	33.9
81.07045	49.8
83.04980	3.2
83.08606	13.6
85.06554	2.5
91.05464	31.3
93.07029	33.0
95.04958	4.8
95.08599	27.8
97.06512	9.2
97.10156	10.7
98.21436	2.8
99.08073	3.1
101.57224	1.3
104.98848	1.4
105.07012	30.7
107.04937	3.7
107.08572	24.7
107.64753	1.3
109.06506	3.7
109.10131	17.8
111.08093	3.5
115.05459	2.4
117.06993	14.9
119.08569	24.3
121.06496	3.9
121.10134	12.2
123.08068	2.4
123.11697	9.0
125.09609	10.4
128.06239	5.1
129.06987	18.4
130.07709	1.9
131.08539	25.7
133.10121	20.8
135.08018	3.6
135.11635	6.6
137.09634	1.3
137.13174	1.3
141.06935	8.2
142.07761	5.1
143.08537	19.9
144.09323	2.1
145.06454	2.1
145.10097	20.0
147.11656	14.3
149.09650	2.7
149.13243	3.7
151.11147	2.1
153.06969	1.9
155.08542	14.8
156.09398	2.9
157.10098	22.4
159.11656	16.0
161.09653	1.6
161.13205	6.8
163.11171	2.9
163.14862	2.3
165.07050	2.4
167.08577	6.0
168.09309	2.7
169.10101	18.0
170.10823	1.2
171.08008	1.6
171.10245	2.2
171.11647	16.9
173.11812	2.6
173.13203	11.0
175.11168	1.5
175.14822	3.0
179.08545	2.8
180.09300	2.0
181.10078	6.6
182.10867	2.9
183.11700	20.2
185.13228	11.5
187.13304	3.1
187.14824	4.7
189.11191	4.0
193.10129	3.3
194.10846	1.4
195.11670	8.9
197.13249	14.0
199.14761	9.0
201.12727	1.6
201.16415	4.6
207.11726	4.4
209.13274	6.7
211.14870	9.4
211.16632	1.5
213.16505	6.3
215.17961	2.6
219.11813	1.9
221.13290	4.0
223.14827	5.2
225.16426	4.8
227.12721	5.2
227.18005	4.7
229.14285	1.9
229.19536	2.6
233.13168	1.5
235.14673	2.5
237.16365	3.4
239.17888	4.3
241.19490	5.5
243.15950	4.3
249.16463	3.4
253.19638	2.8
255.17314	1.9
255.21312	1.8
257.19156	2.9
259.20639	4.0
265.19531	1.6
273.18481	3.4
275.20117	6.6
277.19199	1.7
295.20410	2.0
297.22321	1.7
313.21652	2.7
315.23608	1.6
321.22122	1.9
333.24261	3.1
349.23886	3.7
365.28519	7.0
379.29974	2.5
381.31543	3.8
383.29535	3.7
421.31073	4.0
433.30814	1.5
435.32681	2.1
439.32022	4.9
495.35239	2.5
513.35693	19.5
514.35675	2.0
515.38715	6.2
527.37268	2.1
533.40027	9.1
551.40735	5.6
555.36719	2.8
589.42664	3.4
607.43488	41.4
608.43903	2.7
625.44562	100.0
626.44806	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01867	6.0
55.05503	34.1
57.03431	5.5
57.07050	3.2
59.04984	1.9
63.97246	0.9
65.03927	2.7
67.05494	45.0
69.03410	3.1
69.07054	15.6
69.93140	3.2
69.93552	1.3
71.04978	4.3
74.09963	0.8
79.05481	28.2
81.03399	0.9
81.07042	45.7
83.04978	3.8
83.08607	14.2
85.06544	2.8
91.05019	0.4
91.05464	27.1
93.07030	29.1
95.04954	6.4
95.08589	27.3
97.06509	5.6
97.10152	15.5
99.08080	0.9
103.05455	1.1
105.07012	29.5
107.04955	1.4
107.08577	21.3
108.08851	0.8
109.06493	2.9
109.10142	15.5
111.08083	3.3
111.11703	1.2
114.53051	0.9
115.05444	2.3
117.07005	13.1
119.08566	21.3
121.06483	1.0
121.10120	9.5
123.08067	1.3
123.11690	14.7
125.09600	10.8
128.06210	3.3
129.06976	16.5
130.07748	1.2
131.08549	21.1
133.09190	0.7
133.10100	19.2
135.08028	2.8
135.11682	7.1
137.09671	1.5
137.13260	1.4
141.06941	7.9
142.07802	4.6
143.08531	22.8
143.10516	0.9
144.09317	1.9
145.10104	17.8
147.07993	1.2
147.11658	10.7
149.09653	1.4
149.13231	2.5
151.11183	2.4
153.06961	1.9
153.09102	1.0
154.07822	2.3
155.08521	14.8
156.09294	2.8
157.10110	19.2
158.10782	1.3
159.11665	17.3
161.09607	1.2
161.13232	4.4
163.11171	1.0
163.14821	1.3
165.07042	2.5
167.08560	6.2
168.09418	2.1
169.10104	17.1
170.10800	0.9
171.08015	0.8
171.11664	16.5
173.11819	1.8
173.13223	9.9
175.11162	0.9
175.14857	2.5
177.16348	1.0
179.08560	2.8
180.09271	1.4
181.10092	8.6
182.10866	2.1
183.11671	18.2
184.12434	1.4
185.09601	1.3
185.13237	12.0
187.11162	1.4
187.13356	5.4
187.14709	5.4
189.11153	7.9
189.16444	1.1
193.10106	3.7
195.11700	7.8
196.12367	1.6
197.13234	15.0
199.11316	1.0
199.14790	9.1
201.16335	3.6
207.11630	5.1
209.13235	8.9
211.14763	10.3
213.16386	7.1
215.17981	2.3
219.11516	1.2
221.13266	3.7
223.14830	6.6
225.16357	5.9
227.12737	12.2
227.17900	4.4
229.19527	0.9
235.14832	3.1
237.16393	3.9
239.17950	5.2
241.19502	2.7
243.15800	7.2
244.59572	0.9
249.16432	1.7
251.17932	3.2
253.19571	2.7
257.19000	3.1
259.20535	2.6
263.17963	1.6
265.19418	2.3
267.21088	1.5
269.22577	0.9
273.18420	1.4
275.20255	5.2
279.21060	1.1
283.20422	1.4
295.20581	1.5
309.22061	1.2
311.20291	0.9
311.23782	1.7
333.24356	1.5
335.23529	1.3
337.25192	1.5
339.26740	1.4
347.27292	1.1
349.24005	2.8
353.24585	1.5
359.14725	0.9
363.26770	2.5
365.28394	14.6
379.26062	0.9
381.27560	1.3
381.31641	6.6
383.29376	5.5
391.29706	1.3
403.29459	1.4
407.29453	1.6
421.30914	3.4
439.32156	5.5
457.33093	1.2
497.37527	1.5
505.40295	1.4
513.35455	5.3
515.38818	6.9
533.39868	11.6
534.40417	1.0
537.35895	1.1
543.37067	1.5
549.25464	1.0
551.41187	5.3
555.37341	1.6
589.42322	3.6
607.25806	2.4
607.43396	37.9
608.43994	1.6
625.27234	3.2
625.44507	100.0
626.44708	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	625.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03297	3.2
53.03963	3.6
55.01845	8.5
55.05504	25.1
57.03425	8.6
67.05494	54.3
69.07062	22.8
70.67902	7.9
70.68303	6.7
71.04971	8.3
79.05478	55.5
81.03416	8.5
81.06618	5.1
81.07050	53.6
83.04934	5.9
83.08595	12.6
91.05470	56.5
93.07036	43.6
94.07340	4.3
95.04937	10.5
95.08588	38.2
97.06503	8.9
97.10143	6.8
105.07023	48.1
107.08590	31.4
109.06509	9.0
109.10165	18.4
117.07001	22.5
118.45151	4.4
119.08562	28.8
121.06515	6.7
121.10112	19.3
121.46111	3.7
125.09587	6.6
127.34595	3.9
128.47479	3.4
129.06999	20.5
131.08548	30.9
133.10149	26.5
135.07968	8.9
135.11658	14.0
137.09518	4.1
141.06969	8.4
142.07758	4.6
143.08551	21.3
145.06451	3.9
145.10095	30.1
147.07977	6.9
147.11655	7.9
153.09125	4.0
155.08597	9.4
157.06429	3.6
157.10080	14.6
159.11656	15.0
161.09489	3.7
163.11188	4.0
169.10072	14.5
171.11647	12.4
173.13205	8.7
181.09975	3.9
183.11690	9.2
185.13269	7.5
187.11060	4.4
197.13252	6.7
199.14798	5.0
211.14786	7.3
259.20508	5.8
273.18271	4.9
325.25021	4.6
328.13980	4.0
331.07941	5.2
343.26337	6.4
349.23773	4.0
352.60089	4.1
353.24823	9.7
359.32141	4.1
371.25601	14.6
389.26804	9.3
445.29553	100.0
463.30826	20.4
527.37189	11.1
607.26215	4.6
607.43433	16.2
625.26703	17.4
625.32391	8.7
625.43909	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01882	0.8
55.05501	3.7
57.03427	0.9
64.11369	0.7
67.05499	9.3
69.07056	2.7
69.50649	4.4
69.51057	1.6
71.08580	0.9
77.12462	0.7
79.05482	7.0
81.03384	0.9
81.07052	6.7
83.04971	1.7
83.08631	1.0
85.06562	0.8
91.05458	7.0
93.07027	8.3
95.04954	1.7
95.08598	4.6
97.06503	0.9
97.10184	0.7
105.06999	5.4
107.04993	0.8
107.08593	3.8
109.06509	2.5
109.10133	2.2
117.07010	2.4
119.08571	3.5
121.06538	0.9
121.10151	2.6
128.86168	0.8
129.06931	1.1
131.08548	2.8
133.10092	2.7
135.08041	1.5
135.11710	1.8
143.08586	2.2
145.10086	1.9
147.11639	1.1
149.09607	1.6
157.10191	1.8
159.11644	2.0
161.13184	0.8
171.11601	0.9
173.13214	0.9
179.14293	0.8
185.13190	0.7
209.10738	0.7
237.16209	0.7
273.18533	3.2
275.20120	1.4
277.21738	1.2
291.19470	4.7
304.01245	0.7
335.25977	1.8
351.25232	0.8
366.75497	0.7
377.17578	1.6
378.18857	0.9
389.18076	1.3
390.18484	2.0
391.19244	5.7
392.20044	3.5
403.19904	1.2
404.20157	2.0
405.20691	9.4
406.21716	2.3
407.22302	7.8
408.23105	1.0
417.20932	1.2
418.21854	1.4
419.22177	4.3
420.23270	3.4
421.17963	1.1
421.23837	9.2
422.17487	1.5
422.24030	0.8
424.22812	1.4
433.24271	4.6
434.24734	3.4
435.18243	2.1
436.18912	2.4
437.19501	1.3
445.20187	1.1
447.21429	1.9
449.19791	2.8
450.20685	1.8
451.21210	21.4
451.27576	1.3
452.22006	6.5
459.20911	0.7
461.23834	1.6
464.22263	2.5
465.22842	19.9
466.23438	4.4
475.25815	1.0
477.26294	1.1
478.23520	1.7
479.24414	3.1
487.21198	1.6
488.21881	1.9
492.21133	2.1
493.26028	15.8
494.26794	2.1
501.22491	1.6
503.24435	10.9
504.24701	1.3
505.21967	1.4
506.23010	1.3
509.21771	4.9
515.25708	0.7
519.24152	1.2
521.25360	9.2
522.25793	0.9
523.23230	10.8
526.25031	0.9
537.25092	7.3
538.25690	24.8
547.23425	3.2
565.24420	12.5
566.25085	3.5
581.27374	7.6
607.25281	8.0
607.43207	1.9
625.26483	100.0
625.44464	7.9
626.26886	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	625.1753
Annotation	Isorhamnetin 3-O-rutinoside
Peak:m/z	Relative Intensity
53.03922	0.3
55.01844	0.3
57.03422	1.9
59.04991	0.3
60.86946	0.2
60.87288	0.3
61.02907	1.7
65.03881	0.2
68.99793	0.3
69.03407	0.7
69.07044	0.3
70.06573	0.5
71.04981	11.9
73.02900	0.8
75.04451	0.5
81.03410	0.4
81.07032	0.3
83.04993	1.2
84.08100	0.7
84.99274	0.3
85.02892	16.0
87.04436	0.3
91.03928	0.8
92.02588	0.5
92.28170	0.2
93.03378	0.8
97.02882	1.7
99.04427	0.4
105.07015	0.3
109.02849	0.3
111.04393	0.5
117.03348	0.4
119.04941	0.3
121.02852	0.9
123.04385	0.4
126.03099	0.6
127.03893	0.7
129.05464	3.8
137.02325	0.7
137.05949	0.3
139.03874	0.7
145.02876	1.4
145.04927	0.6
147.04407	0.6
147.06503	1.3
149.02304	0.4
149.05956	0.4
149.27449	0.3
151.03874	1.0
151.91524	0.3
153.01799	7.0
164.04669	0.8
165.01842	0.8
177.05447	2.7
201.05441	0.7
203.03352	0.7
207.02705	0.4
215.03305	0.4
217.04945	0.6
218.05750	0.5
228.04082	1.5
229.04938	2.3
229.74934	0.3
231.02657	0.5
243.06473	0.3
245.04465	1.1
246.05116	1.4
257.04428	1.9
260.03235	0.4
271.05945	0.4
273.03925	2.1
273.07336	0.6
274.04651	3.4
284.03052	0.7
285.03882	4.0
289.14325	0.3
299.05344	0.3
301.03415	2.2
301.06705	0.6
302.04172	10.9
303.04913	1.3
315.04825	0.3
315.13306	0.9
316.05682	1.3
317.06509	100.0
318.06866	3.4
327.04755	0.3
329.06534	1.0
331.04388	0.9
331.08032	10.0
355.08017	0.4
359.07458	1.0
383.07639	0.6
393.06085	0.4
413.08096	0.3
421.05441	1.2
444.13666	0.3
445.13989	1.0
479.11688	0.9
619.18927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Rhamnazin 3-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03421	0.5
64.90251	0.2
67.05470	0.3
68.99807	0.2
69.03423	1.4
69.41309	0.2
70.06567	0.3
70.79102	0.5
74.80444	0.2
81.03391	0.4
85.02879	1.2
85.06541	0.2
87.04438	1.0
89.03889	0.2
91.05442	0.2
97.02365	0.2
97.02888	1.4
107.08501	0.2
109.10095	0.2
109.97104	0.2
113.50665	0.2
115.03913	0.9
117.03349	1.0
119.04925	0.3
121.02817	0.2
123.04408	0.7
127.03893	0.2
131.08591	0.2
133.04930	1.0
135.04395	0.2
139.03899	0.2
145.02838	1.5
147.04355	0.4
148.10854	0.2
149.02309	2.3
149.06003	0.2
153.01810	9.9
153.05447	1.1
154.02185	0.2
161.05885	0.2
163.03874	0.3
164.04659	2.3
167.03316	0.3
174.64659	0.2
175.64960	0.2
177.05431	3.0
179.03329	0.4
189.05455	0.3
191.03381	0.3
200.04742	0.7
203.03384	0.5
205.04890	0.5
215.06895	0.2
217.05002	0.2
227.07111	0.2
228.04149	4.5
231.02843	1.6
239.03410	0.5
240.03981	0.4
241.04849	0.5
243.06508	0.5
245.04410	0.5
256.03653	5.0
257.04312	0.3
271.05997	4.7
272.06274	0.2
273.03906	3.2
273.06937	0.3
275.09183	0.3
284.03122	3.2
284.06302	0.3
285.03760	0.7
287.05521	0.5
288.06161	0.4
299.05475	6.4
299.08899	0.4
300.05865	0.3
301.03397	18.5
301.06531	0.7
302.03766	0.6
303.08578	0.7
315.04816	0.3
315.13531	0.5
316.05734	12.3
317.06165	0.6
327.04898	0.4
330.07230	0.3
331.08066	100.0
332.08392	3.2
373.09262	0.2
427.30325	0.2
475.84970	0.2
493.13348	6.8
494.13748	0.3
525.02795	0.2
625.11133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.175
Annotation	Rhamnazin 3-glucosyl-(1->5)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.44424	0.2
68.99778	0.2
70.99459	0.6
72.88625	0.2
86.41992	0.2
120.13511	0.2
123.04379	0.3
149.02325	2.9
153.01802	9.9
153.05429	0.9
163.03799	0.2
164.04662	2.5
169.71919	0.2
170.02109	0.3
170.25322	0.2
196.84135	0.2
199.78764	0.2
200.04623	0.3
203.03389	0.5
205.04945	1.0
217.04941	0.5
228.04137	4.2
231.02866	2.6
239.03294	0.4
240.04114	0.2
245.04401	0.8
255.02930	0.3
256.01169	0.3
256.03641	3.0
271.05936	1.9
273.03882	6.3
283.02475	0.4
284.03107	2.8
285.03906	0.6
299.05463	2.0
301.03384	28.4
302.03583	1.0
316.05719	12.9
317.06134	0.4
331.08063	100.0
332.08447	5.1
439.98706	0.3
493.13153	0.4
532.87366	0.2
601.21326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	Rhamnazin 3-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
69.03400	0.3
69.58182	1.1
69.58589	0.4
78.87897	0.2
79.05454	0.2
85.02896	0.8
96.97428	0.2
97.02863	0.7
98.21470	0.3
117.03372	0.3
127.03894	0.4
135.72725	0.2
137.05959	0.7
145.02853	0.7
147.04515	0.3
149.02299	1.9
153.01814	8.1
153.05424	0.9
162.69899	0.2
164.04672	3.0
175.07643	0.2
177.05428	1.2
179.03445	0.3
197.26036	0.2
200.04886	0.3
202.06122	0.2
203.03526	0.3
205.04927	1.0
217.04990	0.3
228.04144	3.3
231.02905	2.0
239.03438	0.3
240.04079	0.4
243.06638	0.3
245.04353	0.7
255.02899	0.3
256.03665	2.8
271.05991	2.7
273.03900	5.0
273.07031	0.4
283.02377	0.4
283.66061	0.2
284.03076	2.1
285.03842	0.5
287.05414	1.3
299.05466	3.2
301.03397	28.9
302.03796	0.9
312.13104	0.4
315.04904	0.2
316.05737	13.8
317.06198	0.8
329.10132	0.3
330.10483	0.5
331.08069	100.0
332.08398	3.0
493.13358	25.4
494.13828	1.1
526.45819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
52.84320	1.0
53.03934	5.4
55.01870	7.6
55.05503	20.5
57.03161	1.4
57.03431	21.5
57.07061	3.6
64.94759	0.9
65.03930	5.5
67.05495	69.6
69.03429	3.8
69.07058	15.5
69.94523	5.9
70.07436	1.1
71.04985	3.2
71.57915	1.1
77.03900	1.3
79.05021	2.4
79.05481	49.1
80.39880	1.0
81.03414	9.8
81.07045	51.7
83.04963	6.8
83.08605	9.6
85.06528	9.1
91.05468	55.6
93.07032	42.6
95.01302	2.4
95.04953	58.8
95.08592	32.4
97.02859	1.0
97.06528	8.7
97.10165	4.8
99.04493	1.1
99.08089	1.8
103.05423	2.0
105.04511	2.0
105.07015	48.6
107.04935	14.6
107.08032	0.6
107.08582	26.8
109.06501	39.6
109.10149	8.8
111.08067	4.0
113.05991	24.9
113.06731	2.0
115.05453	2.8
116.06248	1.4
117.07001	25.8
117.07794	1.7
119.04946	1.6
119.08560	29.6
121.06492	7.4
121.10115	11.6
123.04414	2.6
123.08037	6.9
123.11677	2.7
125.09625	2.9
128.06190	5.0
129.06985	16.9
130.07797	3.2
131.08553	34.1
133.06461	4.6
133.10110	20.7
135.08037	20.6
135.11674	14.0
137.05986	1.8
137.09645	2.6
139.11200	1.6
141.06987	5.8
142.07776	4.0
143.08549	17.1
144.09344	3.0
145.06432	4.8
145.10106	25.1
147.07993	6.6
147.11674	13.8
149.09621	5.7
149.13228	4.7
151.11143	1.3
153.09248	1.0
154.07745	2.5
155.08539	6.8
157.06512	1.4
157.10098	14.3
159.08052	5.0
159.11668	20.1
161.09570	7.5
161.13266	7.1
163.11171	4.5
163.14828	1.2
165.06978	1.4
165.09073	1.1
167.08554	3.0
169.10088	9.9
171.08142	2.1
171.11676	13.7
173.09639	3.2
173.13258	11.0
175.11197	3.5
175.14841	2.7
177.12773	4.7
179.08481	2.9
179.14331	2.1
180.09377	1.5
181.10132	5.3
182.10936	1.1
183.11649	7.2
184.08812	1.1
185.09679	1.8
185.13213	8.5
187.11169	5.9
187.14806	4.1
189.12794	2.3
189.16402	1.5
193.10147	3.8
194.10878	2.0
195.11728	6.9
195.13533	1.6
197.09618	2.3
197.13216	5.6
199.11234	2.2
199.14780	5.2
201.12778	1.8
201.16382	2.7
203.14287	1.9
205.10223	1.2
207.11722	2.3
207.13594	1.5
209.13310	4.6
211.11278	1.7
211.14876	2.8
213.12807	2.3
213.16376	3.2
215.14406	1.4
215.17998	2.0
217.15878	8.2
219.13704	1.0
221.13289	2.8
223.11165	1.1
223.14813	2.9
225.12614	1.5
225.16451	1.7
227.14575	1.3
227.18083	2.6
229.15782	1.2
229.19400	1.2
231.17274	1.1
233.13219	1.8
233.15312	1.6
235.14732	2.7
237.16431	3.3
239.17900	2.7
241.14185	2.2
241.19522	4.7
245.19075	2.1
249.16397	1.7
251.17957	1.7
255.17471	3.0
257.19025	4.5
259.20496	8.5
261.21921	1.1
263.17816	1.7
271.16943	2.0
273.18454	24.1
275.20139	6.8
279.15833	9.6
283.20660	1.3
285.22101	1.2
289.57785	1.0
291.19482	31.0
297.21475	1.0
301.03403	1.3
303.34286	1.0
311.23441	1.1
313.21594	1.9
315.23175	3.3
325.21597	1.3
325.25125	2.1
327.23380	1.3
327.26834	4.6
331.08154	2.9
331.22757	1.5
333.24362	5.5
337.21124	1.0
343.06973	1.1
347.22073	10.1
349.24335	2.0
353.24673	1.2
365.23438	2.9
383.29251	1.3
461.28989	2.1
513.37006	5.5
527.37329	1.1
531.38257	6.2
541.35529	1.1
549.39429	5.3
551.37274	1.9
567.40314	2.9
605.23871	2.8
605.41931	21.1
623.25885	3.8
623.42963	100.0
624.43359	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	625.1755
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
57.03421	0.5
64.90251	0.2
67.05470	0.3
68.99807	0.2
69.03423	1.4
69.41309	0.2
70.06567	0.3
70.79102	0.5
74.80444	0.2
81.03391	0.4
85.02879	1.2
85.06541	0.2
87.04438	1.0
89.03889	0.2
91.05442	0.2
97.02365	0.2
97.02888	1.4
107.08501	0.2
109.10095	0.2
109.97104	0.2
113.50665	0.2
115.03913	0.9
117.03349	1.0
119.04925	0.3
121.02817	0.2
123.04408	0.7
127.03893	0.2
131.08591	0.2
133.04930	1.0
135.04395	0.2
139.03899	0.2
145.02838	1.5
147.04355	0.4
148.10854	0.2
149.02309	2.3
149.06003	0.2
153.01810	9.9
153.05447	1.1
154.02185	0.2
161.05885	0.2
163.03874	0.3
164.04659	2.3
167.03316	0.3
174.64659	0.2
175.64960	0.2
177.05431	3.0
179.03329	0.4
189.05455	0.3
191.03381	0.3
200.04742	0.7
203.03384	0.5
205.04890	0.5
215.06895	0.2
217.05002	0.2
227.07111	0.2
228.04149	4.5
231.02843	1.6
239.03410	0.5
240.03981	0.4
241.04849	0.5
243.06508	0.5
245.04410	0.5
256.03653	5.0
257.04312	0.3
271.05997	4.7
272.06274	0.2
273.03906	3.2
273.06937	0.3
275.09183	0.3
284.03122	3.2
284.06302	0.3
285.03760	0.7
287.05521	0.5
288.06161	0.4
299.05475	6.4
299.08899	0.4
300.05865	0.3
301.03397	18.5
301.06531	0.7
302.03766	0.6
303.08578	0.7
315.04816	0.3
315.13531	0.5
316.05734	12.3
317.06165	0.6
327.04898	0.4
330.07230	0.3
331.08066	100.0
332.08392	3.2
373.09262	0.2
427.30325	0.2
475.84970	0.2
493.13348	6.8
494.13748	0.3
525.02795	0.2
625.11133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01864	8.2
55.05502	41.1
57.03431	5.4
57.07060	2.6
59.04983	2.1
65.03912	3.3
67.05492	55.0
69.03433	5.3
69.06696	1.3
69.07056	23.3
71.04971	3.5
77.03886	0.9
79.05478	43.2
81.03393	3.8
81.07043	42.2
83.04982	6.7
83.08604	16.4
85.06530	4.1
91.05463	36.5
93.06432	1.9
93.07026	34.8
95.04964	7.9
95.08591	28.1
95.09203	1.2
97.02876	1.1
97.06511	5.9
97.10152	21.8
99.08049	1.8
100.18019	0.9
103.05441	1.6
105.04514	1.5
105.07016	33.4
105.07723	1.9
107.04928	5.3
107.08572	27.9
109.06484	5.4
109.10139	16.3
111.08049	2.9
115.05437	4.1
117.06998	20.5
119.08556	23.6
121.06461	3.4
121.10139	10.6
123.08025	3.6
123.11691	3.7
125.09612	18.7
128.06209	4.9
129.06972	16.6
130.07747	2.4
131.08548	23.3
133.06468	1.8
133.10104	14.9
135.08020	4.7
135.11684	6.2
137.09589	2.5
141.06972	10.4
142.07750	4.3
143.08540	17.5
143.10707	1.0
144.09254	1.7
145.06438	2.4
145.10104	19.5
147.07986	1.8
147.11661	9.6
149.09587	3.5
149.13239	2.7
151.11143	1.2
153.07011	1.8
153.09047	2.3
154.07700	2.4
155.08530	14.7
156.09312	2.0
157.10101	14.4
158.10707	0.9
159.07970	2.6
159.11673	14.2
161.09639	1.9
161.13235	4.3
163.11160	2.0
163.14738	1.3
165.06958	3.0
167.08502	8.8
168.09315	2.7
169.10103	15.9
171.07983	1.5
171.11653	11.7
173.09575	2.1
173.11781	1.7
173.13219	7.8
175.14775	1.5
177.12727	2.4
178.07765	1.3
179.08557	2.3
179.14314	1.8
181.10098	9.5
181.11687	1.3
181.12190	1.3
182.10880	2.0
183.07993	2.4
183.11658	13.9
185.09537	1.3
185.13220	9.5
187.11169	2.2
187.13231	1.0
187.14748	2.8
189.11194	12.5
189.12753	1.2
191.08490	0.9
192.09258	1.5
193.10083	5.0
195.11678	8.5
196.12450	1.5
197.09538	1.6
197.13237	12.1
199.11165	1.5
199.14708	5.5
201.16336	1.6
203.14349	1.3
207.11667	4.9
209.13222	7.8
211.14784	7.1
213.16295	2.7
215.14281	1.1
215.17970	1.6
219.11650	1.7
221.13205	3.5
221.15125	1.1
223.12918	1.3
223.14981	4.6
225.12715	1.2
225.16385	4.0
227.12703	6.5
227.17889	2.3
232.12381	1.4
233.13225	1.5
233.15317	1.1
235.11163	0.9
235.14749	2.1
235.16884	1.3
237.16370	4.8
239.17833	4.1
241.19540	0.9
247.14746	1.2
249.16441	2.2
251.17909	2.2
255.17543	1.7
257.18939	3.8
259.20566	3.3
261.16293	1.3
263.17798	1.2
265.19632	0.9
271.20480	1.4
273.18393	3.7
275.20068	7.3
277.19479	1.5
279.17191	1.0
281.18997	1.4
283.20480	2.2
285.21988	0.8
289.18231	1.1
291.19446	12.9
293.98050	1.0
295.20575	1.5
297.22214	2.2
299.23557	5.2
301.21396	1.0
307.20456	1.1
309.22061	1.9
315.23215	1.8
321.21918	1.3
323.23340	1.1
325.21469	1.3
327.23065	2.3
331.22757	1.0
339.22903	1.6
349.23941	1.2
353.24646	1.9
355.22098	1.1
359.23532	1.2
363.26736	2.4
365.24423	1.3
379.30023	8.3
381.27924	1.7
389.17441	2.0
403.18982	2.9
405.21011	2.1
405.26544	1.2
415.29507	1.1
416.20197	1.5
417.16263	2.2
417.21039	2.4
418.17587	1.3
419.22568	6.4
419.27408	1.3
431.18478	4.2
431.22806	2.3
432.19098	2.9
433.20071	2.5
433.30875	1.7
437.30475	1.4
443.18509	3.7
444.19046	1.8
445.20062	9.3
446.20941	7.2
447.22162	6.4
448.18207	1.5
451.31976	3.4
457.19846	1.5
458.20853	1.7
459.21713	3.9
460.22400	1.5
461.19293	1.8
462.20258	1.9
463.20975	3.0
469.32898	3.4
473.23169	1.8
476.21729	6.3
477.22888	6.9
478.22870	1.5
489.22501	2.6
490.23972	1.2
503.23889	1.0
505.22037	1.2
505.26010	0.9
511.33548	1.2
513.36963	2.3
521.21350	1.4
525.35742	24.4
526.36023	1.6
531.23315	1.2
531.38019	5.6
533.25421	14.6
534.25476	2.0
535.23431	1.7
545.25305	1.3
549.38916	5.2
554.35565	3.1
563.26715	17.4
564.26373	3.6
567.40442	1.7
590.24438	1.2
593.27289	4.1
605.27002	1.9
605.41943	12.3
623.28192	100.0
623.42688	92.4
624.28912	15.5
624.42902	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.2
55.01857	5.0
55.05499	24.0
57.03159	2.0
57.03426	28.5
57.07067	1.4
58.44637	1.1
65.03937	2.3
67.05492	59.8
69.07058	13.7
69.37794	14.1
71.04974	3.0
71.08559	1.2
79.05480	56.1
81.03418	3.4
81.07041	50.1
83.04511	2.3
83.04966	27.8
83.08600	6.7
83.55781	1.7
85.06517	3.9
91.05465	46.5
92.82389	1.2
93.07030	56.0
95.04946	13.6
95.08585	37.0
95.09196	1.9
97.06512	5.2
97.10137	2.1
98.20722	2.2
99.04443	3.3
103.05443	2.3
105.04462	1.7
105.07011	31.3
107.04933	35.2
107.08573	24.9
109.06505	14.0
109.10136	12.4
111.04429	15.4
111.08061	2.5
113.05955	2.9
115.05418	3.2
117.06995	18.4
119.08553	19.7
121.06506	8.3
121.10123	18.0
123.04428	2.2
123.08050	3.6
125.05968	2.8
125.09572	1.3
128.06203	2.7
129.06985	9.2
131.04944	1.2
131.08542	20.2
133.06505	7.4
133.10104	14.3
135.08005	9.8
135.11667	12.2
137.05934	1.4
137.09589	2.9
141.06966	3.8
143.08543	5.6
145.06451	5.2
145.10083	14.2
147.08003	9.0
147.11678	7.1
149.05945	1.8
149.09566	3.2
149.13208	4.4
151.07527	2.6
153.07016	1.4
155.08507	6.4
157.10085	5.7
159.08047	10.4
159.11668	8.5
161.09531	7.5
161.13243	3.2
163.07498	6.2
163.11162	5.7
169.10100	5.9
171.07945	1.4
171.11650	7.0
173.09628	6.9
173.13260	4.8
175.11105	3.3
175.14749	1.8
177.09088	3.2
177.12701	5.8
179.14302	1.6
183.11739	2.1
185.09587	1.5
185.13213	2.8
187.11076	2.4
187.14777	7.9
189.12671	3.2
197.13251	4.8
205.15840	10.2
211.14886	1.6
215.14233	8.3
215.17805	1.3
217.12239	2.0
225.16335	3.3
233.15334	24.8
235.14774	1.6
243.17442	9.0
253.15800	4.7
261.18484	19.3
261.21353	1.9
261.22104	1.5
271.16904	11.8
289.17923	56.4
363.21536	2.8
389.17047	2.0
391.18356	1.8
404.19550	4.0
405.20078	3.0
418.17017	3.8
419.17520	1.9
419.22385	1.8
420.22607	2.5
421.22955	3.2
431.18332	2.6
432.19052	5.7
433.19269	3.7
434.19910	2.0
445.19965	1.8
446.20639	2.9
447.21051	6.8
448.21878	8.3
449.22330	7.1
459.21817	1.5
460.22070	1.8
461.18463	2.5
474.20270	1.5
475.20465	6.9
476.21387	13.9
477.21924	9.5
489.21765	2.1
490.22412	1.7
503.23654	2.4
531.23694	2.2
534.25653	2.3
535.26208	8.3
536.24017	1.8
545.25470	6.2
561.24792	2.6
562.25195	6.7
563.25488	61.2
564.25507	5.5
591.25568	1.9
595.27484	3.1
605.27136	2.0
605.42535	2.4
623.27460	100.0
623.42743	66.4
624.28094	8.9
624.43030	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01863	4.2
55.05503	17.1
57.03433	7.2
58.36994	1.6
59.47573	1.5
60.59800	1.3
61.02918	12.4
65.03934	1.9
67.05499	32.0
68.86120	1.6
69.03422	9.5
69.07056	8.3
71.04993	3.9
73.02921	4.9
79.05486	30.4
81.03406	18.1
81.07047	31.7
83.04981	7.4
83.08606	9.2
84.49866	1.4
85.02901	16.4
85.06520	2.2
91.03944	6.8
91.05469	28.8
92.09308	1.6
93.07027	23.4
95.04971	13.3
95.08596	14.5
96.36055	1.4
97.02879	10.4
97.06520	4.5
97.10141	8.7
105.07025	26.2
107.04963	11.9
107.08585	12.1
109.02898	1.8
109.06495	6.7
109.10135	10.7
111.04433	3.3
111.08067	3.3
114.62418	1.7
115.05433	2.0
117.06993	16.6
119.08560	15.4
119.65420	1.7
121.06480	8.5
121.10154	6.2
121.23139	1.5
123.08101	4.0
123.11698	1.8
125.09604	5.1
127.03933	3.7
128.06206	3.0
129.06987	12.3
130.32420	1.4
131.04924	2.4
131.08546	17.4
133.06500	6.9
133.10117	11.8
135.08069	5.0
135.11703	3.9
137.05963	1.7
137.09634	1.9
141.07025	3.6
143.08554	10.6
145.06508	10.6
145.10143	7.3
147.04478	1.6
147.08060	6.8
147.11661	4.3
149.09578	2.1
149.13232	3.5
151.11166	3.1
153.06949	1.7
155.08574	7.6
157.06476	3.3
157.10110	9.0
159.08052	6.2
159.11678	3.7
161.09630	1.8
163.11157	3.0
167.08554	2.4
169.10158	4.7
171.08076	4.0
171.11714	5.1
173.09669	2.5
173.13141	1.5
175.11237	2.2
177.12698	3.1
181.10068	1.8
183.08046	2.3
183.11713	3.5
185.09541	2.1
185.13229	3.6
189.11195	3.4
189.12764	1.9
193.12222	1.8
195.06480	1.8
195.11810	2.7
195.13792	2.4
197.13226	3.1
199.11166	1.6
199.14774	3.1
201.12651	1.8
205.10152	2.1
211.13268	2.6
213.12778	2.9
217.15962	3.4
219.13795	1.7
223.14874	2.0
227.12665	1.7
239.14272	3.1
241.15805	1.7
245.15416	1.6
251.77567	1.4
255.13763	2.2
257.15302	3.0
260.99268	1.5
273.95477	1.7
274.31100	1.7
341.24661	2.7
347.57358	1.7
351.23169	5.9
351.27661	1.9
369.24167	19.9
387.25345	9.2
393.24234	2.3
411.25226	3.2
417.26242	4.4
429.26569	2.5
435.27417	2.0
443.27902	36.3
459.83731	1.7
461.28934	100.0
462.29306	5.9
485.28949	12.0
493.23843	1.7
503.29868	6.4
545.30389	1.8
551.29944	5.6
569.31012	5.5
587.32202	5.7
605.33093	2.7
623.34949	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	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01851	5.0
55.05506	23.2
57.03426	9.4
61.02923	30.0
61.81013	1.7
65.03901	2.5
67.05153	2.8
67.05499	48.1
68.41843	1.8
69.03436	9.9
69.07056	13.2
69.63739	12.4
71.04971	3.8
73.02909	11.6
79.05488	38.1
81.03398	7.0
81.07051	43.2
83.04949	3.6
83.08617	15.0
85.02894	24.2
85.06539	3.6
88.40917	1.6
91.03944	12.7
91.05472	48.9
92.05796	2.0
93.07034	32.9
95.04957	8.8
95.08589	26.7
97.02887	13.1
97.06513	6.7
97.10133	3.4
98.20710	2.9
99.04384	1.9
103.05458	3.4
105.06347	2.8
105.07024	37.5
107.04940	7.6
107.08595	17.0
109.06519	5.9
109.10144	10.4
111.08063	4.0
115.05428	5.4
117.07007	33.6
118.07309	2.6
119.04900	2.2
119.08566	23.7
121.06483	6.5
121.10117	10.8
123.08045	3.1
125.09582	2.1
126.31922	1.6
127.03908	4.3
128.06194	8.9
129.06989	43.3
131.04924	1.8
131.08549	48.0
133.06531	4.2
133.10118	14.5
135.08012	3.7
135.11685	4.9
137.09621	2.7
141.06987	19.1
142.07750	4.1
143.08543	31.2
145.06480	9.7
145.10098	23.5
147.08011	8.1
147.11664	5.5
149.09602	6.4
153.06955	4.2
154.07704	2.3
155.08537	30.6
156.09300	2.1
157.06520	3.6
157.10104	19.1
159.08034	7.5
159.11665	11.2
161.09579	4.8
161.13213	2.9
163.11172	4.8
165.06958	4.6
167.08530	13.3
169.10106	19.3
171.07999	3.9
171.11661	14.2
173.09579	3.1
173.13269	2.5
175.09657	1.6
175.11172	4.3
177.12747	4.4
178.07710	2.8
179.08531	7.4
181.10173	12.8
183.07950	2.7
183.11703	10.1
185.09634	3.0
185.13257	8.8
187.11130	3.9
187.14775	3.7
189.12820	2.4
193.10031	6.1
193.12212	3.6
195.11719	12.4
195.13248	2.8
197.13211	6.8
199.11075	2.6
199.14856	4.0
201.12659	2.8
203.14268	4.0
205.10094	3.9
207.11757	8.7
207.13599	2.5
209.13283	8.7
211.11217	2.8
211.14835	6.0
213.12766	4.8
213.16382	2.5
215.14340	6.9
217.15923	2.2
219.11755	2.8
220.12207	2.0
221.13269	10.4
221.15054	2.4
223.14806	10.5
225.12790	3.6
225.16362	3.5
229.16022	2.6
231.17395	2.4
233.13211	3.1
233.15349	2.6
235.14760	6.6
235.16914	1.7
237.12741	2.2
237.16263	2.9
239.14374	5.2
241.16029	3.7
243.17534	2.9
249.16444	2.7
251.14238	2.1
253.15802	4.9
257.15341	5.5
259.16971	2.3
267.17297	2.3
271.16882	5.8
285.18311	2.9
305.22510	2.6
323.23758	8.4
333.22067	20.9
341.24664	10.9
351.23160	55.0
352.23602	3.5
369.24237	34.2
387.25192	17.1
407.25940	2.3
425.26987	9.9
427.59055	1.7
433.29919	2.1
443.27921	100.0
444.28116	6.0
461.28922	66.7
462.29218	4.2
605.33289	2.5
623.33936	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
57.94199	0.6
58.72113	0.6
67.05495	3.4
69.07055	0.8
71.37349	1.3
79.05480	2.9
81.03418	0.8
81.07040	3.7
91.05476	3.1
93.07030	2.3
95.04945	0.7
95.08604	2.2
97.10130	0.9
105.07035	2.2
107.08580	1.5
117.07019	1.0
119.08584	4.2
121.10152	1.1
129.06960	1.0
131.08543	1.3
133.10133	1.1
135.08124	0.8
135.11710	0.9
141.06996	0.8
143.08482	1.0
145.06490	0.8
145.10106	1.1
147.08055	1.0
147.11707	0.7
157.10036	1.0
159.11673	1.0
169.10197	1.0
235.12389	0.7
240.12228	0.8
253.15622	0.7
271.16714	1.0
275.20218	0.8
289.18054	1.3
298.13770	0.8
368.17676	0.7
377.17596	0.7
378.18942	0.8
391.19296	2.8
403.19489	1.3
404.20358	1.0
405.20914	2.9
406.21481	1.3
415.19177	1.4
416.20572	0.9
417.21213	1.4
418.17493	1.3
419.17911	3.6
419.23361	1.1
421.24036	1.8
429.16605	1.1
430.21927	0.9
431.18649	2.7
431.23257	1.3
432.18994	1.0
433.19708	3.3
434.20776	1.6
435.22308	1.5
440.28311	0.6
443.18564	1.1
445.19937	3.3
446.21063	2.2
447.21814	3.7
448.22559	2.0
449.23380	4.4
458.20926	1.2
459.21759	9.1
460.22562	1.6
461.19266	1.7
462.20221	1.1
463.21182	1.5
473.22955	0.9
475.20837	1.4
476.21869	6.1
477.22958	5.1
489.23019	2.7
503.24570	1.2
519.23883	1.4
521.21655	1.5
531.23706	1.0
533.25726	3.2
535.27405	3.6
545.25372	2.7
546.26630	0.7
547.27002	3.7
563.26501	17.6
564.27789	0.8
565.55280	0.8
591.25848	1.2
595.29437	1.5
605.27496	5.0
606.28235	12.2
607.28345	1.1
623.28583	100.0
623.43561	3.9
624.28802	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.5
70.23061	0.8
71.37988	1.5
73.08250	0.7
79.05476	0.8
81.07039	1.1
91.05482	1.4
112.23800	0.7
145.10168	0.9
147.24596	0.7
149.52074	0.6
159.60173	0.9
192.87642	0.7
299.78635	0.9
329.09940	0.8
353.86377	0.9
375.16333	1.2
389.17776	0.9
391.19388	1.3
403.19263	1.1
405.20847	4.4
406.21826	1.3
414.18488	1.1
415.19119	2.9
417.21060	1.9
419.22504	2.4
421.24084	2.1
427.19617	1.1
428.19711	1.0
429.20816	3.1
430.21960	1.3
431.18671	2.6
431.23322	1.3
432.19067	1.5
433.20050	3.0
433.24854	1.6
442.21277	1.1
443.22491	1.6
444.23218	1.3
445.20120	4.7
446.20935	2.4
447.17856	2.4
448.22299	1.5
449.23911	0.9
457.24399	1.6
459.21301	1.4
460.22559	6.1
461.19809	7.7
461.24237	2.4
462.19690	1.1
472.22614	1.5
473.19394	1.3
475.20981	1.9
476.21933	11.2
485.23422	7.1
486.20227	1.2
488.22116	1.5
489.22916	3.0
500.22382	1.8
503.24438	7.3
504.21027	1.3
505.22287	1.7
513.22742	1.0
515.24237	4.9
521.25494	6.5
531.23865	12.5
535.23920	0.9
536.23822	2.6
545.25470	2.9
549.25012	9.6
559.23151	5.8
563.26166	9.1
564.26849	1.8
591.25897	26.7
592.26270	1.1
623.28540	100.0
624.29303	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70537	0.4
55.05503	1.2
67.05492	2.1
67.99636	0.5
69.07047	0.7
69.38371	4.9
72.55475	0.5
79.05475	1.9
81.07030	2.4
83.04987	0.6
89.93995	0.5
91.05469	2.2
93.07024	1.6
95.04936	0.9
95.08588	1.3
97.06552	0.5
105.07011	1.3
107.04926	0.9
117.06966	0.5
119.08631	0.8
131.08577	0.8
133.10085	0.6
183.11710	0.7
275.20190	0.5
289.18008	0.7
385.45569	0.5
387.16199	0.7
388.17291	0.7
389.17596	0.9
391.19168	1.4
392.19910	0.9
401.17978	1.0
402.18524	0.9
403.19165	1.3
405.20782	2.9
407.22211	0.9
414.18536	0.6
415.19217	1.2
417.16824	2.0
417.20911	2.0
418.17331	0.8
419.22797	3.5
420.23087	1.4
429.20804	1.7
430.17126	1.0
430.22147	0.9
431.17871	2.7
431.23450	0.9
432.18552	1.0
432.23746	1.0
433.20050	5.4
434.20654	1.6
435.21854	1.1
443.18002	1.2
443.23175	1.1
444.19403	2.1
445.19638	4.4
446.21027	1.9
447.22061	3.9
458.20895	7.1
459.21957	5.6
460.22583	5.1
461.19260	1.0
462.20630	0.8
463.21185	1.9
472.22726	1.2
473.23212	1.7
475.20813	1.2
476.21765	2.7
477.22821	2.4
485.23312	0.9
487.25021	0.8
489.22491	0.7
490.23880	0.9
503.24863	0.8
518.22906	4.0
519.23663	1.6
521.21625	1.6
531.24377	0.8
533.25378	8.1
535.26611	1.6
536.24091	1.1
545.25452	4.8
546.25818	0.7
563.26367	5.8
573.25037	1.1
577.27972	0.9
591.26031	2.6
605.27466	8.5
606.28223	0.7
623.28528	100.0
624.28979	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09828	0.6
53.03936	0.7
54.34823	0.6
55.01847	0.8
55.05502	1.9
56.07804	0.6
57.03433	0.9
67.05498	4.3
69.07057	1.3
71.63869	0.6
76.41013	0.7
79.05481	3.8
81.07047	4.9
83.04986	1.2
83.08619	1.5
88.63821	0.7
89.41720	0.6
91.05471	4.4
93.07034	2.9
95.04967	1.4
95.08601	2.8
97.06515	0.9
105.07037	2.7
107.04935	1.0
107.08588	1.4
109.06479	1.6
109.10128	0.7
109.56042	0.6
111.08065	0.7
115.05370	0.8
117.07037	1.6
119.08591	2.5
121.10146	1.1
129.06998	2.1
131.08560	2.2
133.10110	1.6
135.08073	1.1
135.11659	0.7
141.06961	0.7
143.08563	1.1
145.10132	1.9
145.22148	0.7
147.11662	0.8
155.08583	0.9
159.07982	1.5
169.10194	0.8
171.11653	1.1
173.13216	0.7
183.11664	1.1
196.76936	0.6
201.20869	0.6
205.64447	0.6
209.10669	0.7
271.17197	0.7
271.60358	0.6
285.22015	0.6
289.18036	2.3
387.16370	0.7
389.17752	4.0
390.18417	1.8
391.19177	2.7
401.17920	0.7
403.19324	2.7
404.19962	1.5
405.20697	8.2
406.21432	1.2
416.19894	1.1
417.16455	6.8
417.21976	1.1
418.17578	3.2
419.18253	4.0
431.18262	6.6
432.19345	8.1
433.20157	10.9
445.20206	3.6
459.22137	1.3
461.19775	2.0
462.20514	1.4
463.21277	2.2
475.21478	1.1
476.22034	5.0
477.23285	5.4
489.22714	1.5
491.24667	1.5
503.24429	1.1
519.23853	19.5
520.24170	2.0
521.22345	1.2
547.24347	0.9
551.26105	0.9
563.26367	13.9
564.26581	1.4
579.25958	5.4
605.42303	1.7
623.28589	100.0
623.43024	5.9
624.28784	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09815	0.9
78.33794	0.6
165.66566	0.7
223.12215	1.0
237.13905	0.7
238.64801	0.6
290.98114	0.6
343.95807	0.7
364.18054	0.8
374.16315	0.7
375.16318	0.8
377.17691	1.7
388.18015	1.0
389.18198	2.1
390.18408	2.2
391.19003	5.0
392.19983	4.3
393.20654	2.8
399.15900	1.6
400.16754	2.7
401.17407	1.8
402.18881	1.5
403.19440	1.4
404.20380	1.5
405.20819	6.0
406.21475	7.3
407.22263	16.3
408.22720	1.1
412.17596	1.0
413.17548	3.2
414.18399	3.6
415.19263	6.7
416.20392	1.0
417.20911	1.3
419.17871	1.1
419.22366	2.3
420.22980	2.3
421.23801	12.8
422.24435	3.1
427.19269	2.7
428.20352	4.0
429.20789	15.8
430.21884	3.7
431.22818	1.0
433.19922	2.6
433.24521	1.6
434.24884	0.9
441.21164	1.4
442.21411	1.8
443.17441	0.7
443.22427	10.0
444.23199	7.7
445.19962	3.7
447.18076	1.9
449.23230	0.9
456.19357	2.3
457.18924	1.6
457.23758	4.2
458.24936	9.3
459.21753	9.4
460.22626	3.4
461.18951	6.4
462.20245	2.5
463.21240	1.9
465.22989	0.9
470.20901	1.6
471.21597	2.4
472.22586	8.5
473.24551	3.0
475.20950	5.9
476.21594	6.6
477.22321	4.2
478.23639	0.8
483.17810	1.0
484.18826	1.1
485.23468	17.5
486.19717	1.9
486.23999	4.5
487.21432	2.3
488.21683	1.8
489.22543	3.8
490.22873	1.2
493.25989	1.3
499.21130	4.8
500.21918	3.7
501.22858	1.0
502.23477	1.8
503.24506	10.0
504.24368	2.4
507.23889	0.8
508.28119	1.6
513.23047	4.1
514.23444	2.8
515.24213	1.3
517.26270	10.2
521.25488	1.4
529.26050	2.0
531.24023	1.7
535.26935	6.2
545.25403	100.0
546.25824	7.7
563.26337	0.9
564.27063	1.8
573.24866	22.9
574.24908	1.4
591.26044	1.4
605.27490	98.4
606.27875	9.3
623.28534	91.6
624.28662	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	623.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01844	1.1
55.05507	3.4
57.03412	0.8
57.07047	1.0
67.05502	5.9
69.07071	3.1
70.13300	2.1
79.05480	4.8
81.03397	1.0
81.07047	5.8
83.04959	0.7
83.08593	1.6
91.05477	6.0
93.07026	5.2
95.04925	1.3
95.08581	4.1
97.06521	1.2
97.10162	0.7
105.07009	6.0
107.04946	0.9
107.08587	3.5
109.06525	1.3
109.10139	1.7
117.06994	2.6
119.08562	3.6
120.08112	0.8
121.06406	0.6
121.10130	1.3
123.07996	0.7
128.06247	0.6
129.06952	2.0
131.08559	3.5
133.10104	3.4
135.08063	0.7
135.11682	1.2
141.06914	0.8
143.08534	2.1
145.10118	3.2
147.11685	1.6
149.09607	1.0
155.08580	1.3
157.10138	1.6
159.07971	0.7
159.11650	1.5
161.09651	0.8
161.13148	0.8
167.08537	0.6
169.10130	1.1
171.11610	1.2
173.13203	1.0
174.48125	0.6
181.10170	1.2
182.58743	0.5
183.11693	1.6
185.13316	1.1
195.11707	1.0
197.13243	1.0
199.14798	0.7
219.17412	1.6
221.10796	0.9
221.13109	0.7
222.11459	0.5
223.14833	0.6
229.16031	0.6
234.40460	0.5
235.12361	0.7
275.20068	2.7
360.14722	0.7
362.15570	0.9
373.14752	0.8
375.16412	0.8
376.17081	1.3
377.17630	2.2
378.18500	1.3
385.14209	0.6
387.15979	1.6
388.17706	0.9
389.17377	0.8
390.18442	1.7
391.19534	2.9
392.19577	2.1
393.20709	1.6
398.11014	0.6
399.15955	1.6
400.16824	1.7
401.17593	3.7
402.18436	1.0
403.19232	1.0
404.20413	1.1
405.16885	1.7
405.21045	1.7
406.21701	1.0
407.22247	2.9
413.17621	1.8
414.18518	1.9
415.19318	4.3
416.20316	1.4
417.16907	1.4
418.18335	0.7
419.18436	3.0
421.20093	1.7
427.15332	0.7
428.19937	1.9
429.20850	2.2
430.17343	0.8
430.22159	1.0
431.18494	2.3
432.19473	0.6
433.16428	1.7
435.21698	1.9
441.16888	0.9
443.17926	1.1
443.22598	1.8
444.19321	2.9
445.20258	2.0
446.21011	1.8
447.17377	4.2
448.18933	1.8
457.20200	1.8
458.21179	1.4
459.17313	1.1
460.18661	0.8
461.19391	4.0
462.20474	2.3
463.20642	3.4
466.19922	0.8
470.17114	1.1
471.22467	5.1
472.18494	1.2
473.19070	3.2
474.20435	2.6
475.16779	1.5
475.21478	2.4
476.17896	1.5
485.19879	3.0
486.20499	3.4
488.21817	0.8
489.18634	1.9
489.22839	5.1
490.19290	5.5
491.20459	3.6
493.22495	1.3
499.21359	10.4
500.18314	1.7
501.23441	4.8
502.20325	1.6
503.20901	5.8
507.23645	2.0
511.21100	0.8
513.19128	4.1
514.19714	2.4
516.21448	1.1
517.22400	16.5
518.22363	1.9
519.20020	1.2
527.20740	2.0
529.22284	7.4
530.20441	0.9
531.19824	2.9
535.23273	3.5
536.23920	0.9
545.21808	29.5
546.22156	1.8
549.39276	1.0
555.20398	1.1
563.22430	3.3
564.23663	1.6
573.21204	9.6
577.24316	5.0
591.22211	5.1
595.25623	1.3
605.23895	47.6
605.41510	2.5
606.24341	3.4
623.24890	100.0
623.42603	9.4
624.25024	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	623.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09275	0.2
68.99796	0.3
69.03403	0.7
69.53329	1.4
69.53754	0.8
81.03400	0.3
81.44778	0.2
85.02869	0.6
85.23320	0.2
87.04449	0.5
88.10700	0.2
97.02862	0.6
98.21448	0.6
101.50446	0.2
107.04923	0.3
110.03641	0.4
115.03919	0.7
117.05549	0.3
123.04403	0.7
133.04910	0.5
134.03615	0.9
137.02325	1.1
146.14099	0.3
151.07428	0.4
153.01817	3.9
162.03064	1.0
163.02658	0.2
163.03870	1.7
167.06990	0.3
170.02032	1.2
173.05933	0.5
179.07048	0.3
179.52899	0.4
187.03992	0.5
191.07069	1.3
193.04871	0.4
197.06013	0.7
199.07391	0.4
200.04578	0.3
201.05399	0.5
202.06285	0.4
203.03328	0.3
212.04483	0.3
213.05453	1.5
215.03430	0.3
215.07031	0.8
217.04872	0.5
217.08661	0.5
225.05389	0.4
227.07019	0.7
228.04158	1.0
229.04964	1.6
230.05664	0.8
240.04112	0.4
241.04926	2.7
242.05656	0.7
243.02870	0.8
243.06499	0.6
243.52023	0.3
245.08102	4.2
247.02426	0.3
255.02849	1.9
255.06654	0.4
256.03568	0.8
257.04449	1.6
257.07983	0.4
258.05273	1.6
259.05936	0.5
267.02679	0.4
268.03622	1.2
269.04385	3.2
270.05157	3.0
271.02328	3.0
271.05923	2.5
273.07520	3.9
283.02353	7.9
283.05484	0.3
284.03073	0.8
285.03888	2.9
285.07550	1.5
286.04651	2.3
287.05426	0.5
295.02368	0.4
296.03110	1.9
297.03912	2.5
298.04691	16.9
299.05453	37.9
300.02734	0.5
300.05853	1.7
301.07022	13.9
302.07339	0.4
313.03375	8.5
313.07037	3.4
314.04095	3.1
314.07797	5.6
315.04996	1.9
316.05817	0.3
329.06488	100.0
329.10181	58.3
330.06891	6.4
330.10580	2.2
331.08011	1.2
345.09671	1.8
393.98178	0.3
491.11557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1963
Annotation	7,5',4'-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
64.85500	0.1
69.03383	0.1
70.50560	0.4
80.43641	0.1
84.08097	0.2
85.02911	0.1
91.05449	0.1
95.04958	0.1
97.02867	0.2
107.04945	0.5
120.40813	0.1
123.04358	0.1
135.04373	0.1
137.02304	1.1
137.05948	0.2
139.07504	0.2
145.02811	0.1
147.04358	0.3
149.05980	0.1
151.03764	0.2
161.02309	0.1
161.05901	0.2
162.03033	0.1
163.03867	0.7
167.03354	0.4
167.07028	0.8
175.03932	0.1
177.05406	0.3
178.06201	1.6
187.03891	0.2
199.07535	0.1
200.04701	0.7
204.04166	0.6
206.29976	0.1
211.03801	0.1
212.04695	0.2
215.03357	0.2
215.07002	0.2
225.05412	0.4
227.06967	0.3
228.04126	0.6
229.04933	0.3
237.05444	0.1
239.03345	6.5
240.03931	0.3
241.05081	0.2
243.06473	1.8
253.04921	2.2
255.06435	0.4
256.03564	0.3
265.04938	0.4
267.02899	1.3
267.06293	0.7
268.03540	0.4
268.07263	0.4
269.04443	0.3
270.05124	0.2
270.08521	0.1
271.05957	7.1
272.06219	0.1
273.11188	0.2
281.04407	1.8
282.04938	0.2
283.05966	1.3
284.03091	2.2
284.06216	0.2
285.03699	0.4
285.07507	0.3
286.08392	0.2
295.05875	0.4
296.06781	1.0
297.07513	1.0
298.04791	0.1
298.08084	0.2
299.05438	38.8
300.05750	1.2
301.10684	0.3
313.06927	0.8
314.07776	19.9
315.05060	0.1
315.08182	0.6
327.08414	0.1
328.09006	0.1
329.10117	100.0
330.10455	2.3
345.09512	0.1
491.04248	0.1
491.15320	0.7
599.48090	0.1
601.10687	0.1
623.19061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64307	0.2
53.80609	0.2
65.61954	0.2
68.07864	0.2
69.03413	0.9
71.37511	0.3
71.37870	0.3
85.02867	0.6
87.04447	0.5
97.02867	0.6
106.68068	0.2
115.03944	0.3
123.04402	0.7
133.02847	0.4
133.04944	0.4
134.03610	0.7
137.02296	0.8
147.04353	0.5
151.03841	0.2
151.07512	0.5
153.01794	2.9
162.03082	0.9
163.03923	1.3
164.04701	0.2
167.07002	0.3
170.02042	1.2
171.04381	0.3
179.06921	0.4
191.06976	1.0
197.05849	0.3
201.05437	0.4
213.05450	0.6
215.03452	0.3
217.04932	0.5
217.08476	0.3
225.05489	0.4
227.06966	0.5
228.04170	0.8
229.04929	1.1
230.05595	0.4
241.04916	2.0
242.05713	0.6
243.02962	0.3
243.06509	0.5
245.08061	3.4
253.04741	0.3
255.02879	1.7
256.03543	0.6
257.04471	1.4
257.08078	0.4
258.05240	1.5
268.03574	0.7
269.04410	2.2
270.05176	2.3
271.02505	2.0
271.05783	2.1
271.60974	0.3
273.07571	3.8
274.07983	0.4
283.02356	6.1
283.05728	0.6
284.02945	0.8
285.03894	1.6
285.07455	1.1
286.04675	1.5
287.05457	0.9
295.02408	0.6
296.03152	1.6
297.03903	1.8
298.04684	13.9
299.05450	27.3
300.02570	0.5
300.05527	1.1
301.07019	13.6
302.07346	0.7
313.03354	5.8
313.07013	3.1
314.04120	2.3
314.07794	4.4
315.04996	2.0
316.05499	0.5
329.06470	100.0
329.10168	60.6
330.06894	5.2
330.10535	1.9
331.08099	1.7
345.09625	1.8
346.10205	0.3
362.90115	0.3
491.11746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34366	0.3
63.02363	0.8
66.53127	0.3
69.03391	0.4
71.04929	0.6
71.05302	0.6
74.02192	0.3
78.04686	0.4
79.05455	0.3
85.02877	0.3
89.03901	9.7
91.05434	0.4
93.06992	0.4
97.02885	0.4
97.59840	0.2
106.04157	0.4
107.31197	0.3
109.02863	0.8
117.03356	23.3
119.04895	0.5
122.03590	0.3
123.04390	0.4
124.05209	0.4
129.04427	0.3
131.28548	0.2
134.03598	3.8
135.04382	1.9
137.05933	0.3
145.02820	51.0
146.03169	1.0
147.04385	0.7
149.02353	1.3
149.05952	7.5
149.94165	0.2
150.03130	0.8
151.03886	2.3
153.06903	0.3
161.02260	0.7
162.03120	0.4
163.03883	1.1
165.07007	0.3
167.03349	1.2
168.00510	0.3
169.01357	0.6
175.03871	0.5
177.05434	100.0
178.06052	2.4
179.03337	0.9
179.06935	0.5
181.06401	0.4
182.02101	0.4
182.83080	0.2
185.00778	0.3
185.06023	0.3
186.05518	1.3
193.06413	0.3
199.07497	0.3
200.08113	0.3
209.06065	0.3
210.06689	0.5
211.07491	0.6
213.05548	0.4
221.05972	0.5
225.05418	0.3
227.06950	1.8
228.07805	0.5
237.05421	1.7
238.06187	1.7
239.07062	1.2
249.05206	0.3
251.07005	0.5
253.04935	0.3
255.06474	1.0
256.07263	1.1
265.04977	1.4
266.05685	2.5
267.06454	2.8
269.08060	1.9
270.08810	1.1
271.09619	0.3
277.04974	0.6
279.06454	0.5
281.07944	0.3
282.05124	1.3
283.02829	0.4
283.05957	5.9
284.06720	2.5
285.03943	0.6
285.07404	0.4
294.05219	0.6
295.05960	3.3
296.06647	1.0
297.07538	8.7
298.08313	4.4
299.05508	0.8
307.06097	0.5
309.07510	3.5
311.05457	0.6
311.09100	2.3
312.06238	6.1
313.06793	0.4
315.01523	0.4
317.06476	1.2
321.07477	0.5
322.08414	0.6
323.09113	0.3
325.06976	0.9
327.08557	42.0
328.08939	1.2
329.06448	1.3
329.10181	0.6
330.03595	0.6
336.06390	0.7
337.10556	1.7
339.08704	0.6
342.07355	0.8
345.06030	4.2
351.08578	4.1
353.10626	0.3
357.09671	0.7
360.08356	2.9
365.10260	1.1
375.10712	19.7
376.10953	0.7
378.07156	0.4
381.09396	1.2
393.09644	4.6
411.10660	2.6
429.11722	4.8
429.16995	0.4
447.06558	0.6
447.12766	11.1
448.13248	0.5
587.15302	2.3
593.68787	0.3
605.16528	3.7
623.17468	13.9
624.17908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.4
59.90554	0.2
64.46603	0.2
64.95316	0.2
65.03876	0.2
71.62475	0.3
78.36012	0.2
79.05404	0.3
81.03386	0.3
85.02887	0.2
89.03899	0.5
91.05446	0.4
97.02832	0.8
97.06460	0.3
105.03337	0.4
107.04880	0.8
108.02017	0.6
109.02846	0.3
111.04361	0.3
117.03374	1.1
119.04906	0.3
120.08047	0.2
121.02772	0.3
123.04345	0.5
127.03858	0.3
135.04330	0.4
136.01501	0.3
137.05894	0.3
145.02806	2.1
147.04390	0.3
149.02330	0.3
149.05913	0.7
151.03893	1.3
153.01794	0.3
153.05403	1.2
161.02289	0.6
163.03882	2.9
167.03343	0.5
167.07071	1.2
169.01193	0.3
170.23206	0.2
175.03786	0.3
177.05450	4.8
178.06226	13.0
179.03387	2.6
179.06830	0.7
181.04912	0.3
182.02081	4.4
183.02766	1.0
185.00739	0.2
185.04167	0.6
186.01549	0.5
191.03355	0.3
191.06973	0.3
194.09328	0.3
200.03116	1.5
201.05495	0.3
205.04784	0.2
208.03632	0.5
209.04402	0.5
229.04858	0.9
233.04408	0.4
239.03308	0.3
242.05875	0.3
243.06465	0.5
245.04385	0.7
246.05113	1.2
247.05807	0.2
253.05135	0.3
256.03601	0.3
257.04404	1.0
258.05164	0.4
261.07568	0.3
267.06601	0.3
270.05148	0.5
271.06003	0.7
273.07590	0.6
274.04636	1.4
278.05951	0.3
279.06253	0.2
284.03030	0.6
285.03885	5.4
285.07486	1.1
286.04251	0.4
287.01990	0.4
289.07147	1.6
291.06537	0.8
292.07034	0.4
298.01083	0.4
299.02045	0.4
299.05499	1.5
301.06982	0.8
302.04242	1.4
303.04944	0.5
308.06738	0.3
309.07541	0.4
310.04449	0.3
311.05429	0.4
311.08856	0.2
313.03366	1.2
313.06693	0.4
314.04169	1.3
314.07629	0.5
315.01379	0.5
315.04791	0.4
315.10587	2.8
316.09036	0.2
317.06461	4.3
323.09094	1.0
327.04871	1.4
327.08652	0.7
328.05698	0.7
329.06494	1.4
329.10144	1.1
330.03650	4.5
330.07141	0.2
331.04132	0.4
331.08051	0.6
332.08417	0.4
342.07324	0.7
343.08121	0.5
344.05450	0.2
345.06012	30.6
346.06445	1.2
351.08511	1.8
353.10233	0.7
359.07559	1.0
360.08347	17.4
361.08966	1.2
371.11435	0.3
375.10703	100.0
376.11005	5.9
379.08051	0.7
397.08887	0.4
443.09659	0.3
493.13147	1.4
503.13174	0.8
591.11340	0.4
619.26117	0.3
623.19391	43.7
624.19708	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	623.1602
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside)
Peak:m/z	Relative Intensity
57.03440	0.2
68.99777	0.3
69.03416	0.6
70.87836	0.4
70.88158	0.4
76.30865	0.2
79.27671	0.2
85.02905	0.4
87.04436	0.3
89.63711	0.2
93.07032	0.2
97.02869	0.7
106.61198	0.2
115.03915	0.4
123.04398	0.5
133.02840	0.3
133.04959	0.3
134.03592	0.5
137.02318	0.5
141.06958	0.3
145.08241	0.2
153.01807	2.6
162.03128	0.7
163.03883	1.7
167.07022	0.4
170.02097	1.1
191.07031	0.8
192.50133	0.2
197.06068	0.3
213.05504	1.0
215.06906	0.3
217.04968	0.5
217.08554	0.5
227.07008	0.4
229.04990	1.0
230.05765	0.7
234.35727	0.2
241.04921	2.1
242.05672	0.6
243.02815	0.4
243.06458	0.6
245.08081	3.4
253.04857	0.3
255.02806	1.4
256.03635	0.4
257.04626	1.1
257.08066	0.5
258.05194	1.0
268.03671	0.8
269.04388	2.3
270.05130	1.9
271.02539	1.8
271.05875	2.0
273.07474	2.9
283.02359	5.4
283.05502	0.4
284.03036	0.8
285.03909	1.9
285.07516	1.0
286.04599	1.7
287.05414	0.5
295.02386	0.4
296.03156	1.5
297.03909	2.0
297.07272	0.5
298.04681	13.7
299.05447	26.5
300.02600	0.3
300.05832	0.4
301.07022	12.2
302.07407	0.5
313.03369	6.4
313.07040	2.3
314.04156	1.9
314.07813	4.0
315.04907	1.7
316.05563	0.4
329.06500	100.0
329.10193	58.1
330.06924	3.8
330.10529	1.4
331.08115	1.6
345.09534	1.8
491.11993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74755	0.6
53.03941	1.2
55.01852	2.1
57.03414	0.9
61.02912	0.8
65.03917	1.2
67.05482	2.5
67.84855	0.6
68.15864	0.6
69.03394	1.1
70.06563	0.9
70.79022	2.3
77.03894	0.8
78.04642	1.0
79.05473	2.4
81.03381	2.3
81.07046	0.9
85.02905	4.3
89.03902	9.8
90.87630	0.6
91.05463	2.9
92.39449	0.7
95.01302	2.9
95.04953	4.5
97.02866	2.1
97.06513	1.0
103.03942	4.3
103.74820	0.7
105.03388	9.0
107.04922	1.8
109.02846	2.2
115.05444	1.0
117.02555	1.3
117.03368	21.6
119.04911	2.1
121.02836	1.4
122.03642	1.5
123.04411	6.0
133.02858	4.6
134.03598	3.5
135.04381	2.4
137.02298	2.5
137.05960	7.8
137.09650	0.6
138.74628	0.8
141.05417	1.0
145.02829	52.0
146.03227	0.9
147.04372	7.5
149.02295	3.1
149.05977	6.9
149.34894	0.6
150.03111	1.6
151.03891	36.4
151.04924	1.3
154.02635	0.8
158.03726	0.7
161.02318	13.2
161.05994	2.8
163.03868	3.0
164.06924	0.6
167.03398	7.3
167.07045	0.9
173.02293	0.8
175.03894	4.0
175.07504	0.9
177.05447	100.0
178.05830	2.6
179.03375	98.6
180.03732	2.1
181.04912	1.4
181.06490	0.8
186.05461	1.2
187.03914	0.8
189.05394	1.8
191.03473	1.6
193.06465	1.3
200.57835	0.8
201.05304	6.0
203.03362	5.1
205.06577	0.8
207.06537	1.8
211.07510	1.5
215.03326	1.6
217.04852	1.5
217.06737	0.8
219.10158	0.7
220.05153	1.3
221.06046	1.8
225.05595	0.9
227.07001	0.9
233.04425	1.6
234.06636	2.0
235.07536	3.8
237.05458	1.8
238.06218	1.9
239.06923	2.1
240.07646	1.2
241.08443	0.8
245.04367	12.7
247.07669	1.2
248.04672	4.0
249.05457	3.2
250.06317	1.3
251.06891	1.1
252.07771	1.2
253.04491	0.8
253.08514	2.4
254.77443	0.7
262.06256	2.1
263.07062	6.8
264.07678	2.3
265.04922	4.6
265.08279	1.1
266.05795	1.6
267.06482	2.8
268.07239	1.7
269.07864	1.2
271.06662	0.9
271.09537	3.7
273.05338	0.7
274.06097	0.8
276.04083	3.2
277.04874	2.3
278.05560	1.1
279.06525	4.3
280.07214	5.2
283.05853	1.7
283.09589	1.0
284.03372	0.9
284.06778	1.8
285.07495	2.2
287.05313	0.9
290.05655	2.6
291.06461	18.4
291.88434	0.7
292.07245	6.7
293.04407	2.9
293.07977	3.4
294.05185	0.8
294.08716	0.9
295.05936	4.5
295.09619	3.3
296.06812	1.2
297.07654	4.2
298.08347	1.1
299.05499	3.0
299.09171	2.6
305.08041	3.2
307.06021	1.9
307.09604	3.1
308.06760	14.6
309.07532	3.0
311.05634	1.5
311.09052	5.2
314.07455	1.2
315.08582	1.4
318.05081	1.2
319.06021	2.5
320.06738	1.8
321.07559	1.9
322.08282	1.6
323.09113	35.9
324.09549	1.7
325.10599	2.3
327.08606	18.7
328.08990	0.8
329.10269	4.4
333.07520	2.6
335.05463	0.9
335.08994	2.5
336.06207	5.3
339.08746	1.9
345.06131	1.9
346.04953	0.9
347.08902	0.8
349.07138	2.5
350.07932	1.3
351.08588	55.1
352.08936	2.3
352.23419	0.7
353.10132	8.3
355.07849	1.1
360.08435	1.2
361.07065	3.0
369.09674	9.6
375.10925	7.1
379.08060	15.9
380.08307	1.0
393.09543	2.0
396.09677	1.0
397.09323	2.0
429.11823	1.4
439.11325	1.6
443.09885	1.0
447.13004	1.7
457.12732	3.6
461.13034	0.9
475.14026	5.0
481.11230	1.3
485.12347	7.2
499.12314	3.5
503.13364	30.6
504.13358	1.5
527.13367	1.2
559.16248	0.8
569.14465	1.0
587.15790	0.7
605.16248	1.5
623.17719	4.1
624.15814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99782	0.6
69.03394	0.4
69.39405	1.3
73.02914	0.2
81.03400	0.5
85.02877	0.5
87.00835	0.2
89.03911	0.2
97.02875	0.5
99.00764	0.2
103.15023	0.2
105.07037	0.2
107.04928	0.4
109.02864	0.3
117.03358	0.5
121.06502	0.2
123.04366	0.2
125.02340	0.2
127.03898	0.4
133.06451	0.2
134.03633	0.2
135.04408	0.3
137.02278	0.4
139.00253	0.4
141.01698	0.2
145.02827	1.4
147.04362	0.4
149.02272	0.2
149.05963	0.2
151.03802	0.2
151.07553	0.3
153.01793	1.3
153.05431	0.4
154.02602	0.3
158.17543	0.2
161.05905	0.3
162.06754	0.5
163.03891	1.3
164.04672	1.8
165.09099	0.2
166.57564	0.2
166.99704	0.3
167.07008	0.7
168.00475	0.9
169.01308	2.7
169.02727	0.2
175.07506	0.2
177.05443	2.9
178.06233	7.5
179.03409	0.4
179.06985	1.9
181.04953	0.2
182.02057	2.1
183.02843	0.5
185.00795	2.1
186.01559	0.7
191.07008	1.4
192.07692	0.6
193.01303	0.5
193.08583	3.0
194.02151	0.2
200.03136	0.6
205.04948	0.3
207.06509	0.3
208.03616	0.2
209.04501	0.3
219.06429	0.4
229.04906	0.5
246.05205	0.9
253.04918	0.4
257.04425	0.7
258.05209	0.5
261.03754	0.2
269.04611	0.2
270.05252	0.3
271.06012	0.6
273.03906	0.2
273.07513	0.2
274.04666	0.7
275.05408	0.2
281.04501	0.3
283.05960	0.3
284.03287	0.3
285.03909	2.0
285.07532	2.0
286.04730	0.2
287.01865	0.6
289.07104	1.3
296.06796	0.3
297.07550	0.5
298.01379	0.2
298.04718	0.2
299.02155	0.2
299.05380	2.3
301.07071	0.5
302.04166	0.8
309.07498	0.2
311.05548	0.3
312.06543	0.2
313.03409	1.7
313.07074	0.5
314.04153	1.1
314.07794	0.8
315.01334	0.6
315.04837	0.3
315.08493	0.6
317.06516	4.9
317.49335	0.2
319.11761	0.5
324.06219	0.9
327.04935	4.0
327.08606	1.3
328.05591	0.7
329.06512	7.0
329.09949	0.4
330.03693	2.6
330.07266	0.3
331.07870	0.4
332.08847	0.4
342.07285	3.9
343.08081	0.5
345.06003	20.7
346.06424	0.4
350.29227	0.2
351.08630	0.3
359.07663	1.0
360.08347	18.0
361.08710	0.4
374.09879	0.3
375.10693	100.0
376.11011	2.6
426.28159	0.2
429.12387	0.3
447.12503	0.3
623.16614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.3
67.05457	0.5
69.03365	0.3
72.22097	0.2
79.05431	0.3
81.03378	0.3
85.02882	0.4
89.03857	0.7
91.05468	0.5
95.04882	0.4
97.02841	0.3
98.21490	0.6
101.67243	0.2
103.03905	0.3
105.03328	0.6
107.04900	0.7
109.02826	0.5
117.03349	1.5
117.06976	0.3
119.04907	0.6
119.84119	0.2
123.04346	0.5
123.15553	0.3
127.03890	0.3
133.02855	0.5
135.04361	0.5
137.05905	0.5
145.01860	0.3
145.02823	3.7
147.04343	1.0
149.05894	0.8
151.03879	2.4
153.05402	0.9
161.02278	0.7
163.03865	2.7
167.03334	0.7
167.06934	1.0
175.03870	0.4
177.03989	0.5
177.05441	8.0
178.06218	12.2
179.03375	5.9
179.06721	0.3
181.04926	0.5
182.02074	3.5
183.02829	0.6
186.01564	0.4
189.01839	0.3
191.03284	0.3
194.09293	0.5
200.03098	1.5
201.05461	0.8
207.06476	1.0
208.03612	0.5
221.07896	0.3
229.04901	0.8
237.05399	0.3
243.06377	0.5
245.04323	0.8
246.05151	1.4
251.07195	0.3
257.04404	0.9
261.03906	0.3
261.07785	0.3
263.06918	0.4
267.06375	0.4
268.07156	0.5
271.06067	0.8
271.09677	0.3
273.07452	0.5
274.04620	1.3
279.06464	0.3
280.07169	0.6
284.03055	0.6
285.03870	4.4
285.07391	0.9
286.04462	0.4
287.01987	0.3
289.07040	1.2
291.06393	1.7
292.07224	0.4
293.04190	0.3
293.08051	0.6
294.04901	0.3
295.05951	0.6
296.06772	0.3
297.07523	0.9
298.01044	0.6
298.04343	0.3
299.01944	0.5
299.05438	1.5
299.08713	0.4
301.06989	0.8
302.04190	1.0
303.04874	0.3
308.06790	1.0
309.03970	0.4
309.07501	0.5
311.05475	0.6
311.08966	0.6
312.02539	0.3
313.03470	1.2
313.06747	0.5
314.04086	1.4
314.07629	0.5
315.01501	0.5
315.04724	0.4
315.10547	1.9
317.06482	4.8
323.09064	1.9
327.04871	1.0
327.08557	1.5
328.05618	0.4
329.06461	1.6
329.10236	1.2
330.03632	4.2
330.07294	0.3
332.08893	0.4
337.06540	0.3
342.07333	1.0
343.08075	0.7
345.05984	28.5
346.06433	0.7
351.08566	3.9
353.10147	0.8
359.07635	1.1
360.08350	16.4
364.05765	0.3
369.09625	0.8
375.10690	100.0
376.10947	3.2
379.08237	1.7
397.09192	0.7
443.09189	0.3
475.13510	0.5
485.12384	0.5
493.13107	0.7
503.13226	2.4
591.10815	0.7
623.19330	26.1
624.19653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64773	0.3
55.01825	0.5
57.03385	0.8
61.02890	0.5
68.99745	0.8
69.03426	3.0
70.06548	0.4
71.63828	0.4
74.23695	0.3
81.03358	0.5
84.08131	0.3
85.02895	3.0
86.06020	0.4
86.13570	0.3
87.00784	0.4
87.04408	1.2
88.46595	0.3
91.03895	0.6
96.04450	0.4
97.02890	3.0
109.02834	0.3
115.03900	1.6
119.08548	0.3
123.04343	0.4
127.03848	0.7
133.04893	1.2
133.06453	0.4
137.02277	1.1
144.06520	0.3
145.02811	0.5
145.10036	0.4
147.11623	1.0
150.07594	0.4
153.01773	0.9
153.06816	0.3
165.01747	0.6
171.04327	0.3
177.05356	0.6
180.08653	0.6
181.06474	1.0
185.06006	0.6
189.12729	3.8
201.05328	0.3
207.13710	0.4
209.05940	1.2
213.05406	1.2
227.07031	1.4
231.06422	0.5
237.05455	5.7
239.03262	0.3
241.04939	0.3
255.06444	1.2
265.04950	8.8
266.05707	2.4
269.04315	0.6
282.05151	0.8
283.05908	1.8
287.05463	2.8
293.04431	6.1
294.05185	2.2
296.03183	0.4
300.02777	0.5
300.08557	1.9
301.06937	1.1
310.04614	0.4
310.11154	0.3
311.05457	100.0
312.05789	1.5
312.12894	0.4
313.03470	0.4
313.06931	1.2
319.08984	0.4
328.08118	60.0
329.06332	1.0
329.08841	0.3
340.08243	0.3
369.70898	0.3
435.60663	0.3
490.13422	1.0
508.23923	0.4
570.29126	0.3
622.12628	1.8
638.24213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01854	11.1
55.05501	14.2
57.03432	23.1
57.07070	25.2
67.05499	51.5
69.03394	3.7
69.07044	10.8
71.04975	4.2
71.08612	13.2
71.15395	7.5
77.46423	2.5
79.05483	27.0
81.03386	4.5
81.06609	3.4
81.07050	34.9
83.04981	4.1
83.08591	7.0
85.06522	11.1
85.10156	9.3
91.05466	22.3
93.07034	24.2
95.04397	5.3
95.04954	57.3
95.08588	27.3
97.06477	4.8
97.10142	5.5
105.07002	16.3
105.81247	2.7
107.04938	9.0
107.08582	18.7
109.06504	67.5
109.10124	9.5
113.05990	37.4
117.07010	9.1
119.08562	10.7
121.06465	4.3
121.10145	6.4
123.08035	3.0
129.06966	10.8
131.08568	14.6
132.28850	2.6
133.10068	6.6
135.08031	55.3
135.11626	6.5
143.08514	11.5
145.10130	7.3
147.07979	7.7
147.11720	3.0
149.09639	4.8
157.10052	4.6
159.11726	5.2
161.09596	12.0
163.11183	3.4
169.10234	2.9
171.11754	4.6
173.13313	3.4
178.35028	3.2
195.13678	2.8
199.14809	4.1
201.12724	3.4
209.70772	2.5
217.15866	14.4
239.39388	3.3
255.17351	4.2
273.18451	41.1
291.16394	5.6
291.19507	100.0
313.27362	51.2
341.94107	2.7
347.22147	7.9
365.23215	9.5
561.24640	5.9
576.37549	3.9
585.44794	7.6
603.46027	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08953	1.3
53.02293	1.1
53.03939	2.3
55.01860	10.4
55.05503	14.8
57.03168	1.8
57.03430	28.0
57.07067	26.5
57.56028	1.3
65.03918	3.8
67.05494	56.7
69.07068	11.1
70.00030	7.6
71.04968	2.1
71.08257	1.5
71.08625	16.8
76.21256	1.5
79.05482	35.2
81.03404	1.8
81.07046	34.9
83.04945	2.6
83.08614	10.2
85.06535	14.7
85.10168	9.4
91.04975	1.1
91.05461	28.8
93.07025	25.3
95.04954	56.8
95.08596	23.8
95.49925	1.2
97.06522	2.9
97.10136	2.9
98.93327	1.2
99.08124	1.4
105.07021	20.5
107.04939	10.9
107.08585	18.3
109.06504	72.0
109.10123	7.1
110.06825	1.4
111.08073	2.6
113.05991	34.5
115.05441	3.1
116.06187	1.2
117.07011	13.3
119.08570	12.3
121.06454	6.0
121.10108	5.4
123.08029	3.5
123.11658	3.0
128.06168	2.8
129.06976	7.5
131.08542	14.1
133.06497	3.0
133.10121	5.5
135.08032	53.5
135.11635	5.9
137.09509	1.6
141.06985	1.6
143.08556	7.8
145.10100	13.8
147.07962	5.7
147.11673	3.2
149.09618	7.2
149.13196	1.9
150.77495	1.1
155.08563	1.7
157.10101	6.0
159.08054	2.0
159.11671	6.5
161.09586	8.9
163.11084	1.8
165.09142	2.0
169.10138	2.8
171.11646	2.4
173.13306	2.3
175.11168	4.2
177.12720	3.2
183.11703	2.3
185.13199	2.3
195.11842	1.2
195.13736	2.1
199.14822	4.3
199.76332	1.3
201.12659	1.4
209.10701	2.1
217.15833	16.2
219.13872	1.6
223.12250	2.1
225.13922	2.4
237.13721	2.3
237.16130	1.7
239.23627	1.5
245.18866	1.8
251.07999	1.6
255.17474	2.7
273.18448	37.8
291.19495	100.0
292.19824	2.6
309.20578	2.5
313.27310	42.7
314.12598	1.6
314.27722	1.9
347.22046	6.3
352.14359	1.9
365.23206	6.9
375.16159	2.0
389.17471	2.6
401.17596	1.6
402.18625	2.2
403.19376	3.2
404.19781	1.3
417.16895	4.7
418.17612	2.9
430.17776	1.9
431.18546	4.9
432.19711	1.7
433.20236	3.9
445.20480	2.2
446.20981	2.6
447.21820	13.3
459.17630	1.6
473.19821	1.5
474.21106	1.9
475.21185	11.8
476.21805	2.2
487.21347	2.4
533.25214	4.6
535.23248	7.4
545.42004	1.8
547.23364	3.1
561.24939	24.5
562.25293	10.2
585.44794	5.5
589.24420	2.2
603.46100	35.6
604.46515	2.3
621.27063	33.4
622.27728	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05487	0.8
57.07053	0.9
62.61903	0.8
67.05492	0.8
69.84583	5.0
71.08649	0.9
101.31950	0.7
163.90298	0.8
194.99924	0.7
245.98994	0.7
277.28638	0.8
375.16071	1.3
387.16110	1.0
389.17603	2.9
400.17535	0.8
402.18625	1.1
403.19250	3.2
404.20032	2.6
405.20642	1.3
417.16379	1.6
417.20828	2.7
418.21469	1.0
419.22284	4.2
431.17706	1.2
431.22327	3.0
432.18665	0.9
443.60379	0.9
445.20291	2.7
446.21002	3.2
447.21823	5.3
459.18076	2.9
461.19904	1.6
462.19968	1.0
474.20404	8.3
475.21246	14.9
476.21484	1.6
487.21323	2.5
488.21967	1.7
501.22879	4.0
505.26440	1.2
518.22729	1.1
529.22583	1.2
533.25562	8.3
561.24884	35.9
562.25305	3.2
589.23767	2.1
621.27026	100.0
622.27081	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.01856	0.3
55.05503	0.8
55.85284	0.3
64.35574	0.3
67.05500	1.8
69.07046	0.4
71.66121	0.5
79.05470	1.1
81.07038	1.2
91.05480	0.8
93.07038	0.7
95.04948	1.0
95.08591	0.6
97.06522	0.4
100.13667	0.3
105.07000	0.8
105.78696	0.3
107.08588	0.6
109.10196	0.4
117.07006	0.4
119.08585	0.5
129.07057	0.3
131.08548	0.7
133.10109	0.6
137.52351	0.3
143.08586	0.5
145.10094	1.0
159.11702	0.4
171.11609	0.6
182.22072	0.3
223.12308	0.4
249.10374	0.4
249.78088	0.3
273.18442	0.6
275.20026	0.4
291.19437	0.5
345.09677	1.0
374.15237	0.5
375.15948	0.7
376.17734	0.4
387.16327	0.8
388.16663	1.0
389.17618	2.5
390.18362	0.9
391.19244	0.8
401.17810	1.3
402.18637	1.2
403.15375	0.5
403.19470	4.4
404.20062	2.0
405.20648	2.0
414.17899	0.4
415.19641	0.6
416.16022	0.8
416.20752	0.4
417.16229	3.9
417.21143	1.6
418.16995	0.6
418.21606	1.1
419.22324	6.5
420.22754	0.6
427.19501	0.4
429.16931	0.6
430.17996	1.1
431.18158	6.3
431.23343	0.5
432.19086	2.5
433.20160	2.9
443.18576	0.7
445.20160	5.6
446.20932	6.7
446.26422	0.5
447.21680	8.9
448.22357	0.9
458.21222	0.5
459.17047	0.7
459.22888	2.5
460.18188	0.5
461.19135	1.5
463.21713	0.4
473.19507	1.1
473.23926	1.0
474.20227	5.1
475.21225	8.4
476.21753	0.7
487.21396	3.7
488.21774	0.5
489.22983	0.5
491.20084	1.4
501.22937	1.5
502.23779	0.5
504.21548	0.4
505.25766	1.1
518.23022	0.5
519.22437	0.4
533.25433	15.3
534.25653	0.7
546.22668	0.4
561.24866	23.2
562.25403	1.7
565.27704	0.6
589.24426	1.5
593.27350	3.0
621.26984	100.0
622.27356	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	621.2694
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.33303	0.4
69.43837	4.0
73.89200	0.4
98.20621	0.4
105.90382	0.4
159.90448	0.4
195.09338	0.5
207.09178	0.6
209.10706	0.5
210.11659	0.4
213.26071	0.4
220.93922	0.4
249.10095	0.5
263.24625	0.4
300.14587	0.6
310.13522	0.5
373.14511	1.0
374.15353	1.3
375.15930	1.1
376.17068	0.6
387.16220	1.6
388.16669	2.0
389.17609	5.0
390.18423	2.3
391.19244	1.8
401.17740	1.6
402.13953	0.9
402.18924	2.8
403.15384	1.1
403.19550	6.3
404.20068	3.5
405.20792	3.8
414.18860	0.4
415.19128	1.7
416.16321	1.8
416.20416	1.2
417.17044	6.1
417.21042	4.3
418.17654	1.8
418.21741	1.7
419.22336	10.7
420.22888	0.8
429.16653	0.8
430.17224	2.3
431.18137	12.2
432.18976	3.9
433.19992	3.9
443.18610	1.0
444.19574	1.3
445.20059	10.0
446.20889	8.6
447.21790	12.8
447.27573	0.8
448.22409	0.6
459.17725	1.4
459.21979	2.6
460.18192	0.9
460.23370	0.8
461.19705	2.3
463.21588	0.7
473.18607	0.9
473.23972	1.3
474.20215	7.7
475.21182	10.0
476.21811	0.7
477.23022	0.8
478.23981	0.7
487.21408	3.6
488.22122	0.7
491.20676	1.3
501.22708	2.6
505.25940	1.5
518.23047	0.7
519.19818	0.7
529.22028	0.8
533.25433	18.1
534.25964	1.1
555.26324	0.4
561.24896	25.2
562.25226	1.6
565.27820	0.5
589.24384	1.3
593.27588	3.3
621.26996	100.0
622.27319	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01994	0.4
52.81953	0.2
55.05452	0.3
57.03387	0.4
57.07013	0.3
63.60297	0.3
67.05421	0.9
71.16302	0.5
71.16644	0.6
72.82516	0.3
79.05412	0.5
81.06988	0.6
85.10142	0.3
91.05391	0.6
93.07023	0.4
95.04879	0.7
95.08501	0.5
102.46937	0.3
105.63431	0.3
107.08479	0.5
109.06433	1.2
109.10037	0.3
113.05918	0.4
113.80202	0.3
119.08504	0.3
135.07951	1.0
138.79161	0.3
209.10715	0.4
223.12195	0.7
249.10063	0.6
251.11647	0.3
273.18475	0.8
291.19623	1.6
313.27234	0.8
336.15134	0.4
340.61172	0.3
352.14063	0.3
372.14560	0.3
373.14560	0.4
374.15179	0.9
375.16031	1.2
375.56186	0.3
376.17728	0.4
377.17599	0.3
385.14758	0.3
386.16367	0.6
387.16098	1.4
388.16760	1.4
389.17606	4.1
390.18356	1.9
391.19186	0.7
400.17010	0.4
401.17892	1.4
402.18805	1.8
403.19327	6.6
404.19946	3.2
405.20825	2.0
406.21561	0.3
413.17804	0.6
415.14740	0.5
415.19193	1.0
416.15247	1.5
416.20374	0.9
417.15945	4.6
417.20883	3.4
418.17294	0.8
418.21625	0.9
419.22354	11.0
420.22528	1.1
429.16827	1.0
429.21362	0.6
430.17130	1.4
430.22586	0.4
431.18033	8.4
431.23416	0.7
432.19046	3.3
433.19949	2.2
441.16653	0.4
443.18546	0.9
444.19339	0.9
445.20074	8.3
446.20859	7.9
447.21756	15.1
448.22021	1.0
457.19781	0.6
458.20935	1.0
459.17670	2.4
459.22012	2.6
460.17905	0.8
460.22534	1.4
461.19635	1.2
463.21237	0.5
472.18668	0.3
473.19308	1.7
473.23843	1.3
474.20319	15.2
475.21246	20.9
476.21503	1.3
477.22403	0.4
486.20343	0.4
487.21249	5.5
488.22162	2.0
489.22668	0.5
490.23596	0.5
491.19922	0.8
491.24976	0.4
501.22852	3.7
502.23236	1.0
503.20981	0.5
504.21414	0.5
505.26721	2.5
517.22083	0.6
518.23120	1.1
519.24133	0.6
520.24713	0.5
529.22095	1.6
533.25452	15.6
534.25507	0.9
535.23059	0.6
545.21442	0.4
546.22675	1.0
561.24902	96.7
562.25183	6.6
589.24384	2.9
590.25946	0.5
593.27545	3.9
603.46368	1.0
621.27002	100.0
622.27411	8.4
639.51935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
53.86192	1.2
55.01864	20.5
55.05498	9.6
57.03436	7.3
57.07068	1.9
61.02921	2.2
64.34532	1.4
65.03927	2.0
67.05500	47.1
69.03421	38.5
69.07053	11.9
69.25196	12.4
69.25605	3.0
71.04980	11.0
71.39538	1.3
73.02923	8.1
74.99298	1.3
77.07403	1.2
79.05482	31.1
81.02950	2.4
81.03407	37.8
81.07045	50.4
83.04967	2.3
83.08629	6.4
85.02892	19.0
91.05457	17.0
93.07033	36.0
94.07346	1.4
95.04941	4.8
95.08594	41.0
97.02879	43.2
97.06511	3.0
97.10148	2.0
98.20721	2.4
99.04446	64.2
99.85105	1.2
101.02352	3.1
105.07024	14.9
107.08566	18.2
109.02862	37.7
109.06491	1.3
109.10138	22.3
111.04463	8.9
111.08060	2.7
115.03888	2.0
117.07018	7.9
119.08573	13.9
121.10120	20.0
122.10429	1.4
123.08062	2.2
123.11693	9.9
127.03900	100.0
129.05464	2.3
131.08517	9.4
133.10085	8.5
135.11667	13.8
137.09587	1.6
137.13264	3.4
145.04933	21.6
145.05972	1.2
145.10103	7.2
147.11667	7.9
147.55983	1.3
149.13205	6.9
151.11143	2.3
151.14729	1.6
159.11676	7.1
161.13208	6.7
163.14755	3.9
171.11671	3.4
173.13257	6.3
175.11263	1.7
175.14871	2.2
177.12653	1.7
179.14288	1.7
180.08669	1.9
185.13297	1.9
187.14810	3.7
241.19511	3.2
243.21025	6.7
259.20502	5.6
261.00815	1.5
261.22134	21.8
275.19968	1.5
277.21655	9.2
279.23169	6.6
283.01776	1.3
315.23074	1.9
341.24567	1.8
351.23029	2.0
351.27896	1.3
357.24356	4.3
369.24387	8.2
387.25320	4.0
394.29590	1.5
405.26352	7.9
423.27368	40.0
446.08548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30884	8.5
56.96555	35.5
57.23462	7.1
63.01186	6.4
69.77942	52.1
81.38251	6.9
81.40760	7.2
84.96017	16.0
85.02882	18.3
93.96420	8.0
97.02902	7.4
97.51172	7.1
98.97567	71.6
110.97575	11.9
116.37156	6.8
116.98602	70.6
119.01937	13.5
128.98604	28.3
134.99683	26.1
143.00145	18.8
143.01877	8.0
145.03477	13.5
146.99637	30.8
154.84593	8.7
155.01859	10.0
157.03415	9.2
158.99623	38.4
161.01219	25.0
161.02899	13.9
170.99677	23.1
173.02957	21.5
177.00659	40.0
179.02238	11.6
185.02977	24.5
188.81921	7.8
189.00661	37.4
193.01665	8.4
201.00720	68.2
203.04089	8.8
207.03391	10.3
209.02950	11.9
211.02727	8.5
211.92235	7.9
219.01694	79.0
225.04285	13.0
235.04723	9.9
237.00700	10.3
237.02821	33.4
243.01781	24.1
245.05057	50.2
253.03793	32.8
255.01663	35.1
261.02798	100.0
267.07101	14.4
271.04828	22.7
273.02856	17.9
275.05829	7.8
277.05655	17.5
279.03909	70.0
279.06613	13.5
291.03748	23.9
297.02866	22.6
315.03787	15.4
321.04929	55.2
333.04968	11.4
339.04160	14.1
351.05701	32.8
357.06055	23.2
375.07474	10.4
379.08374	12.2
381.06610	25.7
387.06699	11.9
399.07980	43.4
423.07068	11.3
441.08621	17.9
459.09091	14.8
559.13428	17.6
561.11224	36.2
621.13232	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01859	1.0
55.05486	0.3
57.03420	0.5
65.03930	0.2
67.05491	0.9
68.99790	1.0
69.03408	0.9
69.07058	2.4
69.54321	1.4
69.54738	0.3
70.06580	0.3
70.84924	0.2
78.86825	0.2
79.05481	1.1
81.03412	1.0
81.07041	0.7
83.01328	0.7
83.04974	0.4
85.02890	1.2
85.06512	0.3
91.05457	0.9
93.07018	0.6
95.01311	0.2
95.04950	1.0
95.08590	0.5
95.92088	0.2
97.02874	1.0
97.06516	2.4
103.05451	0.3
105.06996	0.5
107.04943	0.9
107.08556	0.3
109.02841	0.5
109.06480	0.4
115.05447	0.5
117.07027	0.3
119.04951	0.5
119.08610	0.4
121.02842	0.4
121.06500	0.7
121.10146	0.3
123.04411	0.6
123.08078	0.2
125.06028	0.3
127.03873	0.5
131.04929	0.5
131.08508	0.2
132.90810	0.2
133.02797	0.3
133.06476	1.0
135.04414	0.7
136.05241	0.3
137.05937	0.5
139.07477	0.4
139.11057	0.2
143.08540	0.2
144.05650	0.3
145.02814	0.4
145.06461	0.5
147.04398	1.1
148.05037	0.3
149.02367	0.3
149.05981	0.7
151.03876	0.8
151.07504	2.4
153.05414	1.0
159.04413	0.2
160.05138	0.3
161.05965	1.0
162.06723	0.8
163.03897	3.0
163.07513	0.4
164.04651	1.2
165.01886	0.3
165.05376	1.1
165.09074	0.7
166.06276	0.4
167.07019	2.0
168.00554	0.6
168.07747	1.0
169.01306	1.6
171.04332	0.5
173.05989	0.4
175.03928	0.5
176.04590	0.2
177.05473	1.5
178.06221	8.6
179.03389	1.1
179.07004	3.8
179.08475	0.3
180.07790	0.7
181.01283	1.4
181.04929	0.5
181.08588	1.7
183.02879	0.3
185.00818	0.8
186.01596	1.1
187.07553	0.4
189.01880	0.2
189.05394	1.6
191.03395	1.3
191.07005	2.2
192.04178	0.5
192.07770	0.6
193.01326	0.4
193.04979	1.0
193.08574	4.1
194.09375	0.7
195.02893	0.7
195.06508	0.7
195.10133	0.5
197.05991	0.4
198.01587	1.1
199.02322	1.3
199.03944	0.3
199.07431	0.2
201.05452	0.4
203.03267	0.5
205.01317	0.9
205.04892	1.3
205.08641	0.3
206.01996	0.2
206.05748	0.5
207.02853	1.6
207.06516	0.4
208.03745	0.3
209.04390	0.4
211.02353	0.4
214.37201	0.2
215.06917	0.4
217.04903	1.2
218.05756	0.6
219.02945	1.6
219.06477	0.8
220.03702	0.5
221.04356	1.3
221.07916	0.3
223.02365	1.7
223.06013	0.6
225.03929	0.3
226.04712	0.3
229.04898	0.4
231.02762	0.3
231.06604	0.3
233.04462	1.1
235.02333	0.3
235.05910	1.4
236.06744	0.6
237.03894	1.8
238.04716	0.9
243.06517	0.5
245.04413	2.6
246.05241	1.5
247.02095	0.2
247.05978	0.5
253.07140	0.2
254.07857	0.6
257.04413	0.6
263.05444	1.1
264.06183	0.5
265.06949	1.1
269.04568	0.3
271.05994	0.8
273.07492	0.2
274.04572	0.2
285.03964	0.7
289.06998	0.4
297.03879	0.4
299.02261	0.3
299.05539	0.7
302.04300	0.3
311.05560	0.3
312.06332	0.3
313.03360	1.3
313.07126	0.4
314.04266	0.5
314.07733	0.7
315.04916	0.6
317.06500	1.7
321.07297	0.2
323.05606	0.2
325.07126	0.3
325.10620	0.4
327.05005	1.1
328.05792	0.3
329.06564	3.8
331.04404	1.5
331.07925	0.3
335.09171	0.3
341.06488	0.6
342.07257	1.6
343.04440	2.3
343.08194	0.4
345.05923	2.7
345.09634	0.3
346.06860	1.8
353.10083	0.3
357.06058	0.8
358.06857	0.6
359.07495	1.0
360.08340	8.1
361.09103	5.5
363.08676	0.5
367.08032	0.3
369.09732	0.3
371.07629	0.5
371.14661	0.2
373.09134	9.5
374.09549	0.2
381.09561	0.7
382.10498	0.3
383.07632	0.6
385.09064	1.7
386.09863	0.4
387.10760	0.7
395.11447	0.3
397.08801	0.4
397.13229	0.3
399.10703	3.4
401.12143	1.4
409.08914	1.2
411.14566	0.3
413.12292	3.9
414.13007	0.5
415.13846	0.4
423.10815	0.3
424.11447	0.6
427.10077	1.0
429.15424	1.7
439.13870	3.8
442.12497	0.3
457.14859	100.0
458.15158	2.2
601.15790	0.4
619.17419	0.5
619.27740	0.2
627.55817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95695	0.2
53.03930	0.5
55.01864	1.6
55.05497	0.5
57.03424	0.6
57.67466	0.2
61.02902	0.5
65.03920	0.2
67.05495	1.3
68.99780	0.8
69.03410	1.2
69.07060	2.3
70.06572	0.7
71.04977	0.3
71.60216	0.4
79.05486	1.9
81.03423	1.0
81.07053	1.0
83.01347	0.5
83.04981	0.4
83.08583	0.2
85.02885	1.4
85.06535	0.3
91.05466	1.0
93.07029	0.7
95.04941	1.2
95.08597	0.7
97.02886	1.2
97.06525	3.4
100.07591	0.2
102.21034	0.2
103.05450	0.4
105.07014	0.9
106.04136	0.2
107.04944	1.3
107.08598	0.3
109.02872	0.6
109.06495	0.3
109.10113	0.3
111.04427	0.2
115.05424	0.5
119.04927	0.4
120.08175	0.2
121.02855	0.3
121.06480	0.9
123.04439	1.0
125.05992	0.3
127.03870	0.5
127.67310	0.2
129.07018	0.2
131.04922	0.5
131.08565	0.3
133.02834	0.4
133.06451	1.1
133.10136	0.3
135.04413	0.8
135.08034	0.6
136.05190	0.4
137.05952	0.9
145.02808	0.4
145.06526	0.6
145.10123	0.3
146.97200	0.2
147.04384	1.5
148.05150	0.4
149.02281	0.3
149.05992	0.8
150.03123	0.4
150.06761	0.2
151.03897	0.9
151.07520	2.7
153.05431	1.1
154.06299	0.3
157.06483	0.3
159.08107	0.4
160.67912	0.2
161.05975	1.5
162.06715	0.6
163.03891	2.9
163.07521	0.3
164.04671	1.4
165.01810	0.3
165.05463	0.9
165.09102	0.8
166.06277	0.4
167.03464	0.3
167.07028	2.4
168.00500	0.8
168.07784	1.1
169.01279	1.8
171.04373	0.2
173.05956	0.3
175.03905	0.5
175.07574	0.3
177.01855	0.2
177.05447	1.7
178.06232	10.2
179.03433	1.3
179.07007	5.1
180.07823	0.6
181.01292	1.4
181.04967	0.7
181.08542	2.3
183.02917	0.4
185.00815	1.0
186.01530	1.2
187.07516	0.4
189.05400	1.2
189.09001	0.3
191.03397	1.5
191.06989	2.6
192.04167	0.6
192.07774	0.7
193.01282	0.4
193.04970	1.1
193.08603	4.4
194.09348	1.2
195.02873	0.6
195.06577	0.9
195.10130	0.8
197.05945	0.3
198.01601	1.2
199.02368	1.1
199.03949	0.4
200.04698	0.3
201.05484	0.6
203.03398	0.3
203.06940	0.3
205.01353	0.9
205.04936	1.2
205.08626	0.3
206.05716	0.6
207.02872	2.5
207.06520	0.6
209.04472	0.5
211.02313	0.5
217.04895	1.0
218.05754	0.8
219.02872	1.3
219.06461	0.5
220.03685	0.6
221.04437	1.5
221.07971	0.5
223.02356	2.2
223.05936	0.5
224.03146	0.4
225.03792	0.3
226.04642	0.2
229.04935	0.5
231.02820	0.3
231.06476	0.3
233.04472	1.2
235.05939	1.2
236.06836	0.4
237.03911	1.9
238.04689	1.0
243.06555	0.4
245.04425	2.7
246.05154	2.2
247.06004	0.7
253.04941	0.3
254.07831	0.6
257.04410	0.8
263.05447	1.0
264.05914	0.4
265.06973	1.5
271.05890	0.3
281.04230	0.3
284.06863	0.2
285.03961	0.7
287.05853	0.3
289.06918	0.5
297.04001	0.5
299.05460	1.2
302.04211	0.4
303.04984	0.4
311.05432	0.3
312.06320	0.3
313.03494	1.2
313.06870	0.4
314.04303	0.4
314.07837	0.9
315.05078	0.4
317.06476	1.8
321.07495	0.2
325.10541	0.4
327.04834	1.0
328.05392	0.3
329.06500	4.3
330.07361	0.3
331.04453	1.4
331.07916	0.4
339.08633	0.3
340.05887	0.3
341.06552	0.5
342.07346	2.1
343.04456	3.1
343.08163	0.3
343.69235	0.2
345.06015	3.0
345.09753	0.3
346.06741	2.3
351.08630	0.3
353.06479	0.4
353.10376	0.3
355.08063	0.4
357.05920	0.8
357.13174	0.3
358.06729	0.7
359.07446	1.2
360.08350	9.0
361.09116	6.5
363.08691	0.3
365.06644	0.5
367.07990	0.5
367.11942	0.3
369.09781	0.4
371.07510	0.6
373.09155	11.0
381.09656	0.9
383.07233	1.0
385.09021	1.6
386.09894	0.5
387.11023	1.2
393.13770	0.4
395.11401	0.6
397.13132	0.4
398.09668	0.3
399.10712	4.2
401.12167	1.5
406.10205	0.3
409.09006	1.6
411.14536	0.5
413.07202	0.4
413.12338	3.9
414.12964	0.6
415.13812	0.6
423.10779	0.5
424.11395	0.5
427.10001	0.7
429.15216	1.8
439.13843	4.3
442.12527	0.6
457.14871	100.0
458.15051	1.7
527.05847	0.4
563.41901	0.2
601.17657	0.4
619.17896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
57.03437	3.7
57.07071	5.9
62.51616	3.6
66.21634	3.6
67.90846	3.9
69.03403	9.4
69.07053	11.0
70.02936	5.2
70.43170	3.4
71.57928	5.6
72.04494	25.1
73.02904	11.9
75.00938	3.5
79.80335	3.9
81.03410	20.8
83.04971	7.4
84.95487	3.8
85.02880	10.4
85.06522	8.2
86.09701	5.8
87.08092	5.2
87.48110	3.5
90.05554	33.6
92.71698	4.0
95.04948	9.6
96.08109	5.0
97.02882	13.7
98.02392	19.0
100.03969	11.6
109.02866	33.4
113.05994	9.7
116.03445	25.9
124.07579	25.9
127.03909	15.0
131.04916	4.8
132.06583	9.8
142.08604	17.5
145.04961	6.0
160.09679	10.7
166.08635	6.3
172.09682	3.9
174.11272	9.9
181.05115	4.3
184.09647	37.0
198.07585	5.8
199.05826	3.7
202.10725	95.3
211.09657	11.5
220.11739	29.2
221.59721	3.7
230.10251	11.8
234.09698	11.3
240.81320	4.6
262.12637	17.6
310.12817	13.4
328.13895	100.0
346.14874	26.6
364.16003	94.5
364.20273	7.3
381.63150	4.1
383.97043	4.4
468.20663	5.6
486.21536	8.3
572.94568	3.9
578.36755	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	619.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05505	1.6
57.03419	0.9
63.78519	0.5
67.05489	2.3
69.03405	0.9
69.07071	0.7
69.33237	5.7
79.05476	2.7
81.03397	1.4
81.07040	2.7
83.04954	0.5
83.08595	0.6
85.02892	1.2
91.05474	2.3
93.07030	1.7
95.04965	1.7
95.08604	1.8
97.02914	0.5
97.06514	0.8
98.20676	0.9
103.05434	0.7
104.75133	0.6
105.07026	2.2
107.04937	0.9
107.08546	1.3
109.06521	0.9
111.04543	0.5
112.92178	0.5
115.05425	1.0
117.07020	1.9
119.08584	1.3
121.10148	1.2
123.04430	1.5
125.09709	0.6
128.06216	0.6
129.07030	1.6
131.04915	1.0
131.08578	1.3
133.10121	0.7
135.04395	1.2
137.02293	0.8
137.05960	0.8
141.06982	1.7
143.08607	0.9
144.05685	0.5
145.06479	1.6
145.10152	1.0
147.04408	1.6
147.11699	0.9
149.02316	4.0
151.03851	0.6
151.13528	0.5
153.01846	1.5
153.06990	1.1
155.04929	0.6
155.05994	0.5
155.07277	0.6
155.08521	2.4
157.06503	0.6
159.08061	1.2
160.05191	1.2
161.05986	2.2
163.03905	1.8
165.06967	1.1
165.09151	1.6
167.07056	3.1
167.08322	0.6
168.05879	0.5
169.06444	1.0
173.05986	3.0
175.03923	0.6
175.07555	1.8
176.04689	1.9
177.05466	2.1
178.06229	7.5
181.06679	0.5
183.04317	0.7
183.08064	2.1
184.42625	0.5
185.05884	0.9
186.06854	0.6
187.07593	2.6
189.05519	0.9
191.07001	3.0
193.04959	4.0
194.05247	1.0
197.06046	0.9
199.07529	0.6
200.04745	1.2
201.05449	2.0
201.09100	2.0
203.07074	1.5
204.07913	1.2
205.05049	0.7
205.08636	1.2
211.07529	2.0
213.05423	1.0
214.06236	1.0
215.07022	0.8
216.04259	1.2
217.04825	0.5
229.08612	1.6
231.06551	1.0
231.27914	0.5
237.07622	0.9
239.03581	0.6
239.07156	0.7
241.04968	1.4
241.08672	0.8
243.06511	0.7
244.03667	0.9
255.02811	7.0
257.08151	1.6
259.06097	1.1
268.03702	0.5
269.04419	2.8
269.08005	0.7
281.04352	1.2
283.02444	1.1
283.05908	1.1
284.03555	0.8
284.06702	1.2
285.07605	1.4
287.05450	7.4
295.02576	0.8
296.06802	1.2
297.04099	3.1
297.06964	0.6
298.04861	1.2
299.05380	2.7
300.02634	3.1
300.09879	0.6
301.07062	0.8
301.14404	1.3
311.05554	1.0
312.06174	2.7
313.07056	3.9
314.07587	1.4
315.04919	39.4
316.05505	1.0
327.05029	2.1
327.08557	0.7
328.09448	1.1
329.06424	1.2
330.07300	21.4
331.07971	0.9
341.06577	1.6
342.07266	1.2
343.08340	0.9
344.08820	2.6
345.09628	42.6
346.10168	1.0
355.04520	2.1
355.08292	0.9
357.09689	1.0
359.07660	0.7
360.08167	0.6
369.09726	1.5
370.06812	1.0
385.09177	4.7
386.09662	1.4
409.15268	0.7
429.11823	2.9
430.11954	3.9
467.55334	0.6
601.16980	4.1
605.53381	0.6
619.18011	100.0
620.18628	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	618.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75407	0.5
53.06287	0.5
55.01852	0.7
57.89983	0.5
65.03931	5.4
67.05495	2.0
69.03391	0.8
69.27304	5.6
83.04981	0.8
89.03900	3.1
93.03384	7.8
95.04941	1.0
97.02879	100.0
98.03210	0.8
110.03688	0.8
111.04450	1.0
113.05991	0.7
115.05442	0.8
117.03364	12.0
121.02847	3.3
122.03692	0.5
124.05239	0.8
125.06006	1.1
128.06207	1.4
129.07004	5.6
131.07060	1.9
134.03598	1.0
135.04443	0.7
137.05959	1.2
139.03891	1.1
139.05400	1.0
141.06949	1.6
145.02823	42.0
146.03145	1.0
149.02332	8.9
149.05954	6.2
151.03867	1.6
157.06471	7.4
163.07555	0.7
167.03386	54.5
168.03630	1.0
169.06491	3.0
175.07520	0.9
177.05446	83.2
178.05777	4.1
185.05962	2.3
186.05399	0.8
187.07460	0.7
188.08311	1.9
189.05423	1.4
189.09073	9.5
190.09457	0.7
199.07500	6.2
201.09142	0.8
207.06487	1.9
213.05542	0.8
215.06984	1.0
217.08578	7.5
227.06996	6.6
245.05698	1.1
245.08083	12.0
273.07617	3.8
291.08585	42.4
292.08966	1.4
309.09668	11.1
339.10593	1.2
359.07489	0.9
360.08151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68418	0.3
62.09278	0.3
63.02349	0.3
65.03922	0.7
66.04436	0.3
67.05495	0.7
69.03406	0.9
70.25185	0.5
70.25549	1.3
81.03426	0.3
84.04485	0.5
85.02875	0.8
86.06038	0.3
89.03908	2.8
91.05455	0.6
93.03373	0.4
95.04944	0.5
97.02881	15.1
97.06521	0.4
98.21371	0.4
105.06996	0.4
107.01427	0.3
113.06010	0.6
115.03886	0.4
117.03365	11.5
117.04200	0.7
119.04984	0.3
121.02866	0.6
129.06984	0.6
131.04930	0.3
131.07053	1.3
133.06503	0.4
134.03656	0.8
135.04407	0.8
143.08578	0.3
145.02831	35.9
146.03156	0.5
147.04393	0.3
149.02332	0.4
149.05949	5.2
157.06537	0.6
161.05942	0.5
163.03923	0.4
167.03409	3.5
167.04739	0.6
169.06451	0.3
174.03055	0.4
175.07466	0.8
177.05444	100.0
178.05820	2.2
184.80061	0.3
185.05959	0.3
186.05484	0.7
189.05440	6.0
189.09056	0.6
195.06441	0.5
195.87300	0.3
199.07542	0.8
207.06479	0.7
215.07037	1.1
217.08543	0.6
227.06883	0.7
245.08063	0.9
252.70924	0.3
255.06516	0.3
273.07565	4.2
287.05600	0.3
291.08557	4.1
309.09695	3.2
331.08194	0.3
339.10706	0.8
359.07556	0.5
360.08273	1.0
459.09607	0.3
552.56573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.6
55.05508	23.8
57.03427	14.7
57.07067	62.2
63.22389	3.5
67.01492	3.3
67.05499	60.4
69.07059	37.5
71.07044	5.0
71.07377	7.7
71.08618	41.8
71.69326	3.6
79.05480	41.7
81.07050	61.8
83.04999	5.0
83.08608	17.3
85.06515	4.7
85.10181	19.9
91.05469	63.8
91.40128	3.4
93.07029	53.8
93.82976	4.1
95.04971	9.4
95.08597	52.5
97.10155	11.0
105.07020	62.2
107.08601	29.7
109.10128	22.2
117.07008	13.2
119.08557	65.9
121.10100	24.2
123.11692	5.3
129.07002	12.7
131.08549	28.1
133.10124	47.3
135.11697	16.4
143.08551	14.9
145.10098	23.4
147.11656	44.3
149.13280	14.7
157.10162	7.0
159.11659	19.4
161.13219	39.8
163.14861	4.0
171.11684	13.0
173.13237	14.9
175.14751	21.4
185.13255	12.3
195.58167	3.9
199.14809	4.9
231.17471	4.1
231.21094	11.7
241.19437	37.8
259.20554	100.0
267.26898	5.2
277.05927	3.9
277.21484	5.8
315.23077	4.7
319.94232	4.0
333.24252	42.9
341.30484	92.6
505.38733	12.5
573.31165	4.1
599.49884	7.5
617.51300	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	615.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29321	2.4
53.03935	2.4
55.01859	2.3
55.05514	12.9
57.03432	5.3
57.07068	6.6
58.80573	2.8
59.97717	2.5
67.05493	37.8
69.07069	14.7
69.60486	7.9
69.60914	13.6
71.08615	5.7
79.05492	28.4
81.07048	40.4
82.54136	2.5
83.08612	10.8
91.05470	11.5
93.07033	29.4
95.08595	32.2
96.90608	2.8
97.10151	9.6
105.07008	18.6
107.08569	19.6
109.10139	15.0
117.07000	5.3
119.08575	16.4
121.10091	17.6
123.11681	10.3
131.08525	7.5
133.10143	12.4
135.11694	10.2
137.13219	4.1
143.08577	2.7
145.10112	11.0
147.11670	8.3
149.13202	5.9
157.10112	3.0
159.11760	5.6
161.13284	6.9
163.04544	2.7
163.14821	3.1
171.11711	3.8
173.13310	4.9
175.14740	2.9
213.16493	3.0
239.17628	3.0
243.21127	3.2
245.22635	3.2
252.18895	2.6
259.20657	5.1
261.22174	6.1
275.20020	3.0
293.20956	2.5
334.81778	2.8
335.25894	6.0
337.27408	11.1
339.29041	4.1
523.45465	3.8
597.48834	13.5
615.49750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05504	0.2
56.13095	0.2
65.72408	0.2
67.05484	0.3
68.99792	0.2
69.03396	0.5
69.07036	0.4
70.06568	0.3
71.58383	0.2
71.58790	0.3
75.26823	0.2
79.01843	0.4
79.05443	0.6
81.03374	0.5
81.07010	0.6
85.02850	0.5
89.03900	0.2
91.05446	0.6
93.07005	0.6
95.04904	0.4
95.08552	0.5
97.02833	0.6
97.03400	0.2
97.06488	0.5
97.48629	0.2
101.34972	0.2
105.06990	0.6
106.04166	0.2
107.08555	0.3
109.02856	0.2
109.10118	0.3
111.68479	0.2
117.03355	0.3
117.06990	0.1
119.04848	0.4
119.08556	0.4
120.08024	0.2
120.93997	0.1
121.10102	0.4
123.04409	0.4
127.03887	0.3
131.08556	0.3
133.10127	0.4
134.03632	1.0
135.11713	0.2
137.02289	0.3
137.05948	0.4
143.08508	0.3
145.02809	0.3
145.10060	0.3
147.04384	0.9
147.11568	0.2
149.05957	0.3
149.13219	0.3
151.03865	0.5
157.10057	0.2
159.11627	0.2
160.05009	0.2
161.05840	0.2
163.03825	0.2
165.01801	0.4
165.09268	0.2
167.06992	0.4
169.86261	0.2
175.03851	0.2
177.05525	0.9
178.06152	0.2
180.66618	0.2
183.02841	0.4
191.06895	0.2
197.13214	0.2
213.05437	0.4
214.06117	0.3
215.06958	0.2
225.05409	0.2
241.04900	1.6
242.05693	0.8
243.06447	0.2
253.04863	0.3
267.31418	0.2
269.04395	0.6
270.05179	2.8
271.60983	0.2
281.04358	0.7
285.07556	0.5
289.07089	0.3
289.47388	0.2
297.04013	0.3
298.04691	31.2
299.05072	0.7
309.04047	0.2
313.07016	100.0
314.07379	2.2
315.05090	0.2
315.13354	0.4
329.11380	0.8
345.09949	0.3
369.13293	33.4
370.13745	1.0
455.35217	0.2
472.04630	0.2
507.82846	0.2
599.15558	0.6
599.25464	0.2
617.17224	2.3
617.26910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05504	0.2
56.13095	0.2
65.72408	0.2
67.05484	0.3
68.99792	0.2
69.03396	0.5
69.07036	0.4
70.06568	0.3
71.58383	0.2
71.58790	0.3
75.26823	0.2
79.01843	0.4
79.05443	0.6
81.03374	0.5
81.07010	0.6
85.02850	0.5
89.03900	0.2
91.05446	0.6
93.07005	0.6
95.04904	0.4
95.08552	0.5
97.02833	0.6
97.03400	0.2
97.06488	0.5
97.48629	0.2
101.34972	0.2
105.06990	0.6
106.04166	0.2
107.08555	0.3
109.02856	0.2
109.10118	0.3
111.68479	0.2
117.03355	0.3
117.06990	0.1
119.04848	0.4
119.08556	0.4
120.08024	0.2
120.93997	0.1
121.10102	0.4
123.04409	0.4
127.03887	0.3
131.08556	0.3
133.10127	0.4
134.03632	1.0
135.11713	0.2
137.02289	0.3
137.05948	0.4
143.08508	0.3
145.02809	0.3
145.10060	0.3
147.04384	0.9
147.11568	0.2
149.05957	0.3
149.13219	0.3
151.03865	0.5
157.10057	0.2
159.11627	0.2
160.05009	0.2
161.05840	0.2
163.03825	0.2
165.01801	0.4
165.09268	0.2
167.06992	0.4
169.86261	0.2
175.03851	0.2
177.05525	0.9
178.06152	0.2
180.66618	0.2
183.02841	0.4
191.06895	0.2
197.13214	0.2
213.05437	0.4
214.06117	0.3
215.06958	0.2
225.05409	0.2
241.04900	1.6
242.05693	0.8
243.06447	0.2
253.04863	0.3
267.31418	0.2
269.04395	0.6
270.05179	2.8
271.60983	0.2
281.04358	0.7
285.07556	0.5
289.07089	0.3
289.47388	0.2
297.04013	0.3
298.04691	31.2
299.05072	0.7
309.04047	0.2
313.07016	100.0
314.07379	2.2
315.05090	0.2
315.13354	0.4
329.11380	0.8
345.09949	0.3
369.13293	33.4
370.13745	1.0
455.35217	0.2
472.04630	0.2
507.82846	0.2
599.15558	0.6
599.25464	0.2
617.17224	2.3
617.26910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52237	0.1
69.08327	0.1
71.08450	0.3
81.03376	0.2
97.02937	0.1
106.04158	0.1
109.02782	0.1
117.37061	0.1
127.03842	0.1
134.03604	0.9
151.03915	0.2
151.05069	0.1
165.01793	0.6
183.02844	0.3
213.05569	0.2
214.06245	0.3
241.04883	1.3
242.05675	0.6
253.04959	0.2
269.04446	0.2
270.05188	2.5
282.17578	0.1
285.07559	0.2
297.03925	0.5
298.04678	32.5
299.04977	0.6
301.07025	0.2
313.07010	100.0
314.07306	2.0
314.10641	0.2
369.13287	29.9
370.13620	1.0
528.38776	0.1
617.18475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
54.20045	1.7
55.01860	4.3
55.05513	11.2
57.03437	2.6
57.07064	9.6
59.04997	4.0
61.70108	1.8
65.03935	2.6
66.71582	1.8
67.05492	20.8
69.03437	7.2
69.07072	9.7
69.66238	9.4
69.66649	5.2
71.05004	3.1
79.05471	22.2
81.03446	3.4
81.07047	26.3
81.07484	2.6
81.12828	1.9
83.04975	10.6
83.08626	7.2
85.06558	6.6
88.91792	1.9
91.05470	32.0
93.07043	30.7
94.07372	2.4
95.04957	17.8
95.08591	28.2
95.09119	2.2
96.19283	1.8
97.02863	1.9
97.06557	8.7
98.20778	2.7
103.05475	3.5
105.07018	50.5
107.08582	29.2
109.06509	20.2
109.10126	15.5
111.08096	4.4
115.05470	3.6
117.07019	15.4
119.08570	47.6
119.09410	2.5
120.30110	2.0
121.06548	7.4
121.10133	26.5
123.08060	25.6
123.11745	4.9
125.05985	11.7
125.09622	3.5
128.06253	7.2
129.07014	11.5
130.07826	2.3
131.08530	18.8
133.06532	5.3
133.10098	24.0
135.08038	15.0
135.11732	8.8
137.05974	2.4
137.09596	12.4
139.11272	2.4
141.07025	4.3
142.07768	15.5
143.08548	23.6
144.09401	4.4
145.06509	3.0
145.10117	33.2
145.50952	1.8
147.08044	20.6
147.11633	13.7
148.08838	2.6
149.09612	9.4
151.07516	32.0
151.08572	2.8
152.06219	2.6
153.09120	2.4
154.07782	2.3
155.08638	8.8
155.10646	2.2
156.09322	11.6
157.10115	26.7
158.10953	2.0
159.08142	6.6
159.11667	19.1
161.09685	8.1
161.13272	9.0
163.11171	15.1
165.07036	2.2
165.09090	38.6
167.07129	1.9
167.08557	5.0
167.10773	6.9
168.09358	3.3
169.10072	13.5
170.10872	6.2
171.11656	18.4
172.12485	2.2
173.09621	4.5
173.13231	11.5
175.11266	5.1
175.14937	7.5
177.09172	3.0
177.12846	2.1
179.08652	3.2
180.09442	2.4
181.10179	5.4
181.12329	14.3
182.10895	2.3
183.11778	8.2
184.12540	2.3
185.09608	3.7
185.13255	9.4
187.11259	5.2
187.14920	4.5
189.09079	2.5
189.12822	8.7
191.14340	3.3
193.10223	5.0
193.12245	2.7
194.10924	3.0
195.11751	6.8
196.12480	3.7
197.13315	7.1
199.11302	3.4
199.14935	7.0
201.12772	5.2
203.14325	18.1
207.11977	4.3
207.13939	12.7
209.13316	5.6
209.15167	3.5
211.14835	2.6
213.12926	2.5
215.14349	4.2
221.13330	6.1
221.15327	100.0
222.15822	3.3
223.11142	2.7
223.14867	3.5
225.12851	3.3
225.16423	3.4
227.14493	3.8
229.12250	2.2
233.13339	2.8
233.15411	4.7
235.14851	2.2
241.16013	2.0
247.17056	3.3
253.16159	2.7
261.16519	2.2
263.18130	2.3
267.17584	2.4
271.17056	3.2
273.18759	2.5
275.20053	2.2
286.19260	13.7
287.20187	4.1
299.20261	3.8
311.20224	2.1
312.20901	3.6
313.21835	4.5
321.18298	2.5
355.68466	2.3
362.30685	2.1
471.56223	2.2
537.36060	7.6
558.16687	4.1
567.22900	2.3
581.39709	4.7
599.40930	15.7
617.18164	3.8
617.42163	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.8
65.03872	0.7
67.05456	0.8
69.84410	0.6
70.06532	1.1
71.14881	1.4
72.08092	0.9
83.61057	0.6
84.04448	1.2
84.08082	0.7
85.02849	1.1
91.05418	1.3
93.07017	0.8
97.02797	2.0
105.06937	0.7
107.04881	0.7
119.04866	0.8
127.03825	0.8
137.02225	1.1
137.05891	1.6
145.02765	1.2
145.10075	0.7
147.04329	1.6
151.03807	1.5
153.01723	2.8
153.05247	0.9
163.03900	0.8
167.06932	2.1
175.03786	0.9
177.05423	3.5
178.06010	2.2
181.04854	1.2
191.06931	1.6
195.06349	1.3
205.04764	0.9
212.16417	1.0
229.05043	0.6
241.04988	0.8
243.06436	0.7
244.04131	0.7
257.04526	0.9
305.30328	0.7
315.04922	3.1
330.07077	1.8
345.09521	2.3
352.05573	1.0
353.10156	0.8
360.09775	1.6
361.07065	0.9
365.06308	1.1
367.07843	100.0
368.08115	2.7
379.07925	1.7
389.06378	1.4
395.11313	2.4
399.04855	1.1
407.07455	1.7
408.10474	1.0
415.08105	2.0
419.07254	1.2
420.08286	1.0
421.09113	1.9
429.05252	0.9
433.05164	0.9
437.12280	1.6
449.08862	2.1
450.09473	5.2
451.09637	0.8
459.06836	1.1
465.11859	2.1
469.14862	1.1
489.11819	0.8
507.12836	6.2
525.13812	1.8
529.12921	5.5
530.12915	1.0
533.10999	1.3
535.12769	1.9
551.12054	1.8
553.12933	1.5
571.14185	42.5
572.14508	1.6
579.11285	3.8
597.12274	29.7
615.13007	64.6
616.13287	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.8
65.03872	0.7
67.05456	0.8
69.84410	0.6
70.06532	1.1
71.14881	1.4
72.08092	0.9
83.61057	0.6
84.04448	1.2
84.08082	0.7
85.02849	1.1
91.05418	1.3
93.07017	0.8
97.02797	2.0
105.06937	0.7
107.04881	0.7
119.04866	0.8
127.03825	0.8
137.02225	1.1
137.05891	1.6
145.02765	1.2
145.10075	0.7
147.04329	1.6
151.03807	1.5
153.01723	2.8
153.05247	0.9
163.03900	0.8
167.06932	2.1
175.03786	0.9
177.05423	3.5
178.06010	2.2
181.04854	1.2
191.06931	1.6
195.06349	1.3
205.04764	0.9
212.16417	1.0
229.05043	0.6
241.04988	0.8
243.06436	0.7
244.04131	0.7
257.04526	0.9
305.30328	0.7
315.04922	3.1
330.07077	1.8
345.09521	2.3
352.05573	1.0
353.10156	0.8
360.09775	1.6
361.07065	0.9
365.06308	1.1
367.07843	100.0
368.08115	2.7
379.07925	1.7
389.06378	1.4
395.11313	2.4
399.04855	1.1
407.07455	1.7
408.10474	1.0
415.08105	2.0
419.07254	1.2
420.08286	1.0
421.09113	1.9
429.05252	0.9
433.05164	0.9
437.12280	1.6
449.08862	2.1
450.09473	5.2
451.09637	0.8
459.06836	1.1
465.11859	2.1
469.14862	1.1
489.11819	0.8
507.12836	6.2
525.13812	1.8
529.12921	5.5
530.12915	1.0
533.10999	1.3
535.12769	1.9
551.12054	1.8
553.12933	1.5
571.14185	42.5
572.14508	1.6
579.11285	3.8
597.12274	29.7
615.13007	64.6
616.13287	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.7
57.07069	6.2
57.64192	0.4
58.06600	1.9
65.03915	0.8
67.05470	0.8
69.07045	0.6
70.06582	16.5
71.08617	2.9
71.60571	0.6
79.05441	0.5
81.07034	0.6
84.08094	0.4
85.10127	0.5
88.07617	19.9
91.05435	0.6
91.64925	0.3
93.07022	0.7
95.04960	0.6
102.09163	15.4
102.09840	0.9
105.06968	0.6
107.08540	0.5
119.08530	0.5
131.04916	0.6
139.03816	0.5
147.04358	0.6
149.02319	43.8
149.03348	1.5
149.09595	0.4
150.02631	0.4
167.07014	0.6
167.10672	0.4
175.03813	0.8
189.86185	0.3
193.04938	51.5
194.05295	0.9
212.23650	0.5
219.06505	1.1
225.05426	0.9
256.26312	44.6
257.26642	1.3
269.04355	1.3
297.03864	3.1
307.88193	0.4
313.06943	3.4
341.06491	11.6
359.07581	6.0
385.09122	49.6
386.09369	2.0
391.88538	0.4
505.89630	0.4
555.17084	0.5
614.33105	100.0
615.23663	0.6
615.33362	8.3
621.93774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.01870	5.3
55.05501	29.0
57.03423	18.3
57.07075	6.5
65.03924	6.7
67.05495	66.8
69.03409	5.1
69.07056	33.5
69.35194	31.1
71.04983	4.8
71.08620	4.2
75.04449	3.1
79.05482	35.6
81.02946	5.2
81.03403	72.1
81.07048	72.4
83.04971	12.0
83.08612	23.3
83.85452	2.7
85.06523	4.6
89.06015	5.2
91.05472	39.9
93.07038	33.6
95.04951	37.3
95.08595	55.9
97.06533	6.4
97.10155	9.1
105.07011	45.3
107.04933	7.8
107.08575	31.4
109.06510	7.1
109.10123	19.8
111.08100	8.2
115.05399	4.2
115.83054	3.0
117.06985	10.5
119.08559	45.2
121.06489	4.9
121.10143	21.2
123.08057	9.2
123.11706	5.3
125.05965	8.2
125.09537	5.5
128.06224	5.6
129.06973	11.4
131.08537	20.5
133.06491	6.3
133.08604	7.3
133.10092	14.9
135.08051	7.9
135.11678	8.3
137.05960	4.0
137.09593	5.8
141.06969	3.7
142.07777	6.9
143.08546	22.4
145.06552	4.4
145.10092	19.9
147.08031	10.8
147.11667	12.9
149.09584	7.8
149.13272	3.7
151.11176	5.0
154.07784	3.1
155.08533	5.9
157.10094	22.9
158.10884	6.5
159.08023	8.5
159.11728	8.0
161.09607	6.2
161.13312	6.8
163.11160	10.0
165.07045	3.5
165.09058	3.9
167.08589	5.5
169.10077	7.0
170.10826	3.7
171.11705	6.9
173.09584	5.9
173.13190	5.4
175.07640	3.0
175.11198	12.4
175.14874	4.8
179.08487	4.8
181.10112	9.9
181.12277	2.9
182.11017	3.4
183.11679	6.0
185.09625	5.4
185.13252	5.0
187.11162	4.8
193.10411	4.9
193.12248	23.4
194.11011	3.4
195.11700	4.6
197.13324	4.1
199.11122	6.0
201.12863	4.9
207.11707	7.7
209.13152	4.4
211.11102	5.7
213.16322	3.8
221.13309	6.8
221.15280	6.5
223.14923	4.6
235.11060	3.0
247.14725	3.7
249.14864	3.3
251.14305	4.5
253.15714	4.3
263.23734	6.1
267.15878	100.0
273.18463	8.2
277.16098	3.3
286.19177	3.9
298.19101	3.3
303.26910	3.4
305.17422	6.3
331.18964	10.1
337.27332	85.0
338.27740	3.8
339.99524	3.0
352.23904	19.7
373.15710	3.0
384.22916	18.6
393.40677	3.0
397.23553	3.6
455.35263	4.2
473.36337	3.4
476.29233	10.9
522.33563	3.4
529.38782	81.3
530.38892	4.6
547.39941	21.2
586.53674	3.2
614.30200	3.9
614.39465	46.0
614.48590	7.8
615.40228	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	3.9
55.05503	29.2
57.03434	10.7
57.07059	5.5
65.03923	3.5
67.05496	87.4
69.07058	29.4
69.42959	3.0
69.43362	14.5
71.04980	3.6
71.08601	2.0
73.98130	1.4
75.24244	1.5
75.57096	1.6
78.33985	1.6
79.05486	47.8
81.07046	100.0
83.04958	2.9
83.08621	20.2
85.06522	3.0
91.05470	43.1
93.07032	60.5
95.04961	4.5
95.08595	73.5
96.36488	1.5
97.06517	4.5
97.10138	8.4
98.21509	3.1
103.05394	1.6
105.07013	44.0
107.08582	39.8
109.06528	2.3
109.10146	41.1
111.08086	3.4
111.11700	1.9
115.05462	1.8
117.06998	19.7
119.08572	39.0
121.10123	31.4
123.08083	3.2
123.11710	14.4
128.06219	2.5
129.07001	6.9
131.08545	34.2
133.10107	33.1
135.11691	26.8
137.13261	3.3
141.06967	2.9
143.08545	8.6
145.10092	29.2
147.11671	22.8
149.13226	12.0
151.14738	2.6
155.08545	3.8
157.10118	8.6
159.11688	21.2
161.13242	15.8
163.14816	5.5
169.10152	4.4
171.11636	8.6
173.13252	18.1
175.14836	10.2
183.11678	3.8
185.13205	9.0
187.14804	8.4
189.16405	4.6
191.17992	2.6
197.13129	3.3
199.14810	5.7
201.16402	6.4
211.14748	3.1
213.16364	4.3
215.17976	3.4
227.17969	2.9
229.19591	1.9
231.20998	2.4
241.19521	4.0
243.21001	3.1
259.20575	7.7
261.22122	10.3
263.23779	2.7
287.23624	2.1
299.23477	2.0
333.24298	3.8
335.25784	15.9
337.27380	6.9
427.35464	1.6
506.29974	1.7
521.43469	4.8
595.46826	9.8
613.48145	84.6
614.48187	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	613.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.05512	18.5
57.03428	9.6
57.07058	5.9
60.11956	3.0
67.05499	50.7
69.07074	19.0
70.23428	15.7
72.60616	3.3
77.53271	3.2
79.05485	25.7
81.07047	52.0
82.16862	3.0
83.08611	15.0
91.05479	36.2
93.07033	34.7
95.05038	3.7
95.08595	40.8
97.10143	7.4
98.86689	2.9
99.58405	3.3
105.07013	31.1
107.08582	20.5
109.10152	21.8
117.07016	13.0
119.08559	28.3
121.10098	18.9
123.11724	5.3
129.06999	6.9
131.08553	27.8
133.10107	24.3
134.40582	3.1
135.11685	11.9
143.08536	8.1
145.10112	25.8
147.11658	16.8
149.13286	8.1
151.92108	3.8
155.08525	3.9
157.10114	8.7
159.11659	15.5
161.13254	10.2
169.10089	5.4
171.11691	6.1
173.13300	15.5
175.14865	8.8
179.33592	3.9
185.13316	4.8
187.14751	7.3
189.16443	4.1
199.14659	4.9
201.16315	4.7
215.18086	4.4
241.19620	7.2
259.20654	20.4
261.22183	5.6
333.24176	3.4
335.25690	6.4
337.27350	12.6
423.51166	3.4
450.99609	3.3
493.57166	3.2
521.42938	6.2
539.44818	4.4
595.46930	5.2
613.48187	100.0
614.48389	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	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.08067	0.8
51.74238	0.7
53.03939	3.9
55.01864	1.3
55.05504	24.5
57.03429	7.1
57.07053	2.8
64.13691	0.8
65.03925	3.2
67.05495	72.6
67.72923	0.8
69.07064	23.1
70.87278	0.9
70.87634	2.5
71.04987	2.7
71.08621	1.9
79.05485	42.8
80.05827	1.1
81.07047	75.7
83.04968	1.6
83.08614	12.9
85.06532	2.6
91.05468	32.8
92.46188	0.8
93.06153	1.1
93.07035	46.9
95.04971	5.3
95.08596	58.8
96.08937	0.8
97.06536	2.6
97.10160	7.0
99.08055	1.3
105.07014	30.8
107.08578	30.6
109.06517	1.3
109.10140	27.5
111.08055	2.0
111.11723	2.0
116.62558	0.8
117.07001	13.8
119.08566	29.8
121.10129	23.0
123.08060	1.5
123.11688	9.6
125.09583	1.3
128.06229	1.8
129.06975	7.7
130.07794	1.0
131.08546	24.1
131.54007	0.8
133.10110	24.3
135.11679	17.7
137.09657	1.2
137.13240	4.0
141.07021	1.9
142.07745	1.1
143.08548	8.7
144.09349	1.0
145.10112	22.9
147.11661	20.6
149.13249	9.9
151.14835	2.0
155.08578	2.9
157.10112	6.7
159.11679	19.7
161.13246	11.3
163.11229	1.4
163.14803	4.2
169.10147	3.3
171.11691	9.6
173.13254	13.0
175.14819	7.2
177.16432	2.4
181.10115	1.3
183.11708	3.2
185.13258	7.5
187.14810	7.2
189.16394	2.8
191.17950	2.2
195.11749	1.8
197.13316	1.9
199.14845	4.5
201.16348	4.3
203.17975	2.1
209.13330	1.1
211.14850	2.1
213.16428	2.9
215.17937	2.7
225.16396	1.0
227.18135	1.5
229.19583	1.6
234.06598	1.0
239.17934	1.6
241.19655	4.2
243.21149	2.1
245.22585	1.7
259.20566	8.0
261.22098	10.5
263.23718	1.8
277.21701	1.6
281.21115	0.9
285.22299	1.1
287.23746	1.2
297.21707	1.1
299.23605	1.7
303.26740	1.0
313.25406	1.7
315.26862	2.1
317.24738	2.4
323.25836	1.7
327.26846	1.4
333.24152	7.9
335.25739	15.5
337.27393	8.2
341.28296	1.3
347.25858	1.1
355.26190	1.0
383.33170	1.1
451.35779	1.5
487.38333	1.1
489.35992	2.4
503.37000	2.1
517.39014	1.5
521.43744	6.9
529.39215	1.1
539.44647	4.9
543.40656	2.1
595.47162	14.2
612.94806	1.2
613.48206	100.0
614.48383	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	613.2648
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.14080	0.3
55.05494	0.4
57.61774	0.3
67.05488	0.8
69.34621	2.4
69.35049	1.3
79.05469	0.5
79.44344	0.3
81.07037	1.0
91.05486	1.0
91.21152	0.4
93.07034	1.2
95.04924	0.4
95.08576	0.6
98.21426	0.5
105.07015	0.8
107.08590	0.6
109.06496	1.5
109.10159	0.4
119.08552	0.8
121.10158	1.0
133.10136	0.5
169.10107	0.4
172.03970	0.4
197.90027	0.3
199.08647	0.4
204.06523	0.4
234.31639	0.4
250.13733	0.4
263.11737	0.6
283.10925	0.4
286.10101	0.4
337.15170	0.4
339.16156	0.4
342.31171	0.3
351.12903	0.5
352.17041	0.5
353.17767	0.9
365.14206	0.5
365.18130	0.4
366.14737	0.9
367.15326	0.5
367.19257	1.3
369.17090	0.4
379.15628	0.4
380.16434	0.9
381.16965	2.5
382.18124	0.7
383.18292	0.4
393.17114	0.7
394.18076	0.9
395.14456	0.5
395.18677	4.1
396.19537	3.6
397.20227	1.1
407.18707	0.8
408.15503	0.7
409.16495	1.7
409.20389	1.6
410.16507	0.4
410.21017	1.0
411.21814	2.9
422.21301	0.4
423.17566	3.9
423.22900	0.8
424.18732	3.6
425.19455	0.8
437.16129	1.9
437.20654	1.0
438.20776	2.4
439.21292	6.2
449.19885	0.8
450.20850	0.6
451.16907	4.1
452.17542	1.7
453.18622	0.7
455.20837	0.5
463.17136	0.3
465.19046	1.2
466.19666	4.4
467.20673	3.6
469.22321	0.5
479.20663	2.8
482.23132	1.2
483.24088	1.6
484.24567	0.4
493.22394	1.5
495.19965	0.5
497.25671	1.9
507.23798	0.5
510.22629	1.5
511.19794	0.7
512.24329	0.5
521.21570	0.7
525.25012	9.2
526.24817	0.4
535.23328	0.7
538.22192	2.5
539.23071	1.2
553.24384	17.0
554.24414	0.9
581.23926	0.9
585.27618	0.4
598.23859	0.5
613.26465	100.0
614.26715	5.2
635.78802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2646
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05491	0.8
57.03431	0.7
67.05492	4.5
67.10195	0.6
69.03408	0.6
69.07048	1.7
69.89442	0.6
71.53599	0.7
71.55606	0.6
71.60609	0.9
72.08133	0.7
79.05477	2.6
80.05018	0.7
80.57194	0.6
81.03366	0.6
81.07043	2.8
83.08612	0.7
91.05466	3.1
91.39313	0.7
93.07021	2.3
94.06557	1.0
95.04950	1.3
95.08600	2.3
97.06497	0.9
97.10165	1.1
103.05418	0.6
105.07008	2.5
107.07882	0.7
107.08586	1.8
108.08128	1.4
109.10138	1.8
117.07005	0.9
119.08558	1.5
121.10110	1.9
129.06999	1.3
130.06586	0.8
130.07706	0.7
131.07335	1.5
131.08528	1.2
134.07271	0.6
136.07571	3.4
138.09123	2.1
143.08557	1.1
144.08054	0.7
145.08862	0.8
145.10013	1.0
146.05934	0.7
146.09599	1.4
155.08559	1.1
157.10136	1.9
159.09196	0.7
160.03879	0.9
160.11288	0.9
163.11183	0.9
167.10721	1.1
170.09840	0.9
172.07562	1.5
173.91594	0.7
174.09128	6.1
183.11716	0.8
185.07051	0.9
186.09181	1.2
187.08630	1.4
187.12262	3.7
188.10722	4.8
190.05006	0.8
197.10756	1.5
197.13338	0.8
199.08684	2.1
200.09492	1.4
203.11819	0.8
211.08722	2.0
212.09332	1.3
213.10228	1.6
215.11826	2.4
223.08636	1.4
223.12219	0.9
224.09258	1.2
225.10251	4.5
226.10968	2.2
227.11790	5.1
228.08794	0.9
235.08693	2.2
237.10292	1.7
238.10931	0.9
239.11795	3.6
241.09720	1.2
241.13353	6.5
243.11250	20.3
248.09387	0.9
249.10263	1.7
250.10918	1.1
251.11812	3.2
252.08969	1.1
253.09732	2.8
254.10300	1.2
255.11348	1.1
262.10965	0.8
263.11835	1.6
265.09738	1.3
265.13474	0.9
267.11270	7.5
269.09106	0.7
269.09894	0.8
269.12872	6.9
271.10825	2.5
277.09702	2.4
279.11267	1.2
287.13931	4.7
290.09128	1.0
291.11273	1.5
292.14581	0.9
293.12894	1.9
295.10724	8.1
297.12402	1.5
300.11334	1.5
300.14883	0.8
301.12695	1.0
304.11002	1.2
309.12402	1.6
311.13864	3.6
313.12112	1.9
314.12827	1.2
315.13745	1.1
316.11008	1.5
316.14377	1.7
318.12363	1.2
319.10651	1.5
327.13281	10.1
328.10840	1.6
328.14413	2.9
329.11667	1.7
329.15341	1.1
330.12274	2.4
330.16071	1.8
331.13324	0.9
332.13892	1.0
334.15500	1.9
336.13504	0.9
338.12695	0.9
340.14679	1.5
341.11496	1.7
342.12375	3.4
342.16101	1.0
343.13123	3.0
344.13934	4.0
344.17664	1.4
345.14688	1.0
346.15524	2.4
348.13492	3.1
354.16187	1.2
355.13159	1.6
356.13956	4.7
356.17746	1.1
357.14798	2.9
358.15527	6.1
360.16980	1.0
370.15414	3.7
371.16345	1.7
372.13171	0.9
372.17188	5.2
373.17963	2.0
374.18613	2.6
384.13348	1.8
384.17398	1.8
386.14832	2.3
386.18808	2.7
387.19406	1.2
399.15952	0.8
400.16620	2.3
403.16135	0.9
415.86282	0.7
416.16443	0.9
417.16736	1.6
418.17538	4.4
420.16400	1.0
422.17456	0.9
428.15756	1.1
430.18402	0.8
431.18695	1.1
432.19147	2.1
433.20264	1.4
434.18478	0.7
435.13861	1.3
435.18762	1.4
436.19467	1.2
437.20200	2.0
446.16971	1.7
447.17444	1.1
447.22476	1.4
449.19855	2.1
451.16699	1.1
451.21893	1.2
458.16925	1.1
459.16977	0.8
461.23187	2.4
462.24612	1.6
463.16882	0.9
463.21341	1.0
465.18234	8.2
466.19406	1.1
475.21179	1.0
476.18750	1.6
477.19138	2.3
478.20178	4.5
479.20383	5.6
480.21448	4.3
481.22412	2.6
489.22839	1.7
490.19525	7.8
491.20569	1.2
492.21368	3.5
493.22650	5.2
494.22656	2.1
507.24060	4.5
508.21353	2.2
509.25589	1.1
517.22473	2.9
520.21179	2.1
521.20947	0.9
535.23346	17.6
536.23328	2.0
537.24506	1.0
539.23022	2.9
552.09521	0.9
553.24384	82.2
554.24622	7.1
563.22827	3.2
581.23834	56.7
582.24127	5.3
595.26483	1.0
595.36230	1.8
596.23657	0.8
613.26508	100.0
614.17743	0.9
614.26575	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	613.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69645	0.1
52.39911	0.2
52.53128	0.1
55.33418	0.1
65.03925	1.6
69.03413	0.3
69.55398	1.5
79.05493	0.3
85.02894	0.7
89.03881	0.4
91.05466	13.4
94.04170	0.5
95.04965	0.2
97.02879	1.0
98.20673	0.2
107.04935	0.7
111.04308	0.2
117.03342	0.5
119.04926	29.9
120.05278	0.5
121.06521	0.3
122.03628	1.4
123.04390	0.2
127.03905	1.5
128.04243	0.6
129.04434	0.2
131.04909	0.4
135.04372	0.8
137.02364	0.5
137.05956	30.4
138.06274	0.7
145.02806	0.9
147.04387	100.0
148.04718	2.4
149.02406	0.2
149.05946	2.6
151.03963	0.2
153.05435	0.5
159.04314	0.2
161.02353	0.3
161.05917	0.2
162.13167	0.1
163.03769	0.2
165.05511	0.2
167.07030	0.5
175.03882	0.2
177.05452	7.5
177.07010	0.4
178.05954	0.2
179.03360	0.3
189.05437	0.2
193.04919	0.4
201.73985	0.2
237.05415	0.2
239.06728	0.2
249.07480	0.5
251.07088	0.3
267.10052	0.3
281.08011	0.2
283.09537	0.6
295.09637	0.2
303.05048	0.8
304.05258	0.7
305.05438	0.6
309.09689	0.3
311.09131	1.8
312.09393	0.2
329.06430	0.3
329.10101	2.2
337.10730	0.3
347.08746	0.2
353.10278	1.0
365.10345	1.9
383.10800	0.2
395.11328	0.4
463.09726	0.2
466.08249	0.3
505.11038	0.4
507.12531	0.3
549.10065	0.4
551.11609	0.4
595.09991	0.4
613.09705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47496	0.3
65.03932	2.1
69.07066	0.3
70.06583	0.5
72.08138	0.5
79.05483	0.3
81.03398	0.6
81.07061	0.3
84.08144	0.4
84.71751	0.2
86.09690	0.3
90.74733	0.2
91.05472	17.0
92.05777	0.5
94.04169	0.4
97.02890	0.9
98.20693	0.6
105.78482	0.3
107.04945	0.8
119.04932	31.7
120.05226	0.9
121.02810	0.3
122.03646	1.2
131.04962	0.3
137.05959	19.4
145.02791	0.4
147.04391	100.0
148.04742	3.1
149.04897	0.7
149.05972	1.8
151.03902	0.3
153.01779	0.3
153.05434	0.4
162.67712	0.2
163.03865	0.4
165.01852	0.4
167.07076	0.7
173.05946	0.3
177.05444	4.3
179.03435	0.5
181.05006	0.3
196.61168	0.3
201.05414	0.5
265.15567	0.3
269.08112	0.3
301.03375	0.4
303.04990	2.8
304.05325	2.5
305.05444	2.6
311.08984	1.6
329.10138	1.0
331.08093	0.8
333.11029	0.3
353.10242	0.5
358.53619	0.3
365.10269	0.3
384.78796	0.3
472.26483	0.3
613.21661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01860	1.5
57.03424	4.9
59.74229	0.7
61.02922	1.6
65.03929	1.0
68.99442	0.7
68.99783	1.5
69.03418	4.6
70.06567	0.9
71.50636	1.0
71.50966	1.2
79.05467	0.9
81.03406	5.3
85.02890	29.6
85.03406	1.4
87.04478	0.7
89.03896	1.1
91.05460	1.6
95.04947	1.4
97.02892	6.6
99.04451	0.8
103.03935	1.2
107.01295	0.6
107.04931	1.6
109.02843	4.6
117.89809	0.6
119.04949	3.7
121.02857	12.0
123.04413	5.6
124.03875	0.6
125.02354	1.8
127.03886	5.0
131.04921	1.2
135.04376	2.6
137.02336	2.8
137.05960	2.5
139.03870	1.1
141.01813	1.6
145.02847	2.0
145.04933	2.1
147.04385	10.5
149.02332	2.7
151.03856	1.0
153.01816	6.5
163.03886	17.8
165.01808	23.0
165.05417	0.9
167.07002	0.8
171.02823	4.0
175.03905	1.4
177.01811	12.0
177.05458	0.8
179.03363	2.2
181.05025	0.7
181.89246	0.6
183.02879	19.0
187.03903	1.7
189.01776	4.1
189.05481	0.8
191.03369	17.7
193.01312	1.3
193.04878	0.8
195.02867	100.0
196.03098	0.7
203.03424	3.8
205.04945	2.2
207.02896	2.2
209.00841	1.1
209.04414	2.7
213.03937	2.8
215.03416	2.2
217.01306	1.6
219.02864	31.0
220.03308	0.8
221.04355	1.2
231.02838	22.4
233.04393	2.6
237.03833	2.2
243.02895	5.5
249.03891	10.2
257.04318	0.9
261.03900	20.1
271.05774	0.8
279.04886	5.2
283.06073	0.9
287.05481	2.1
288.05893	1.3
289.06943	4.8
295.06024	0.7
297.05972	3.9
301.07007	20.4
313.07019	21.8
325.06702	0.8
331.08075	36.5
347.07474	0.7
355.08078	33.6
367.08078	8.5
375.13940	0.8
379.08182	4.0
385.09027	3.3
397.09119	14.7
397.13913	1.3
401.08618	0.7
415.10211	14.6
433.11426	10.1
463.12125	6.5
467.11456	0.9
505.11285	1.1
517.13098	2.1
529.13422	6.5
541.13190	2.3
577.15607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03935	1.0
55.01859	1.9
57.03427	5.8
61.02905	2.1
63.10244	0.4
65.03925	0.5
68.99792	1.6
69.03420	5.5
69.64298	2.8
71.04963	0.7
73.02885	1.4
77.16769	0.4
79.05499	0.4
81.03402	5.3
83.01318	0.7
85.02892	30.2
87.04436	1.0
91.03936	0.8
91.05452	1.4
92.23396	0.4
93.03387	0.6
95.04942	2.2
97.02885	6.3
99.04438	1.1
103.03919	1.0
105.03369	0.5
107.04939	0.7
109.02863	5.1
111.00771	1.3
111.04392	0.5
117.03365	0.9
119.04906	1.4
121.02852	12.6
123.04409	5.0
125.02328	2.1
127.03906	5.5
133.02852	0.4
135.04385	3.4
137.02321	2.0
137.05946	1.8
137.74382	0.4
139.03868	0.5
141.01778	1.4
145.02806	3.1
145.04921	3.3
147.04393	4.4
149.02264	2.3
151.03873	1.5
153.01808	5.8
159.04291	0.4
160.91714	0.4
163.03886	19.8
165.01816	28.3
167.03406	1.1
171.02878	3.7
175.03893	1.8
177.01808	14.8
177.05394	2.2
179.03398	1.6
181.04982	0.6
183.02866	20.3
187.03891	1.7
189.01802	3.5
191.03366	20.2
193.01332	1.5
195.02864	100.0
196.03325	0.6
203.03413	2.6
205.04935	2.9
207.02811	3.1
209.00781	0.9
209.04453	1.5
211.21927	0.4
213.03896	2.5
215.03363	3.2
217.01306	0.7
219.02855	35.0
221.04379	0.5
231.02852	23.4
233.04384	2.6
237.03911	2.6
243.02882	6.2
249.03909	10.8
257.04501	0.6
261.03903	23.1
271.05902	0.6
279.04962	6.6
283.05920	0.6
289.06995	6.6
297.06052	3.2
301.07019	23.8
313.07019	26.3
314.07449	0.6
319.04358	3.2
325.06891	0.7
327.04941	0.5
331.08078	34.9
332.08368	0.5
337.06955	0.6
347.07764	0.5
349.07172	0.4
355.08084	31.8
356.08408	0.5
360.82095	0.5
367.08029	8.6
376.77274	0.4
379.08020	4.5
385.09219	3.4
397.09192	16.6
415.10217	13.0
433.11313	6.9
463.12277	7.5
467.11841	0.7
475.11807	0.8
517.13202	4.3
529.13300	9.2
541.13367	1.9
559.14465	1.3
577.15741	3.3
595.16119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1381
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
55.44255	0.6
57.03416	2.1
61.02901	1.5
65.03947	0.7
69.03426	7.9
69.93656	4.2
76.81129	0.8
85.02902	5.8
87.04445	4.2
91.03937	1.0
97.02878	12.7
98.21455	0.8
115.03916	5.3
117.03364	1.1
119.20178	0.7
121.02821	1.1
125.02316	4.3
127.03880	2.2
133.04935	5.5
137.02327	4.5
143.03355	3.1
145.02820	3.1
149.02269	0.7
149.05833	0.9
153.01833	1.6
167.03342	2.5
169.01286	2.5
174.73488	0.9
177.05405	4.2
181.01329	1.0
181.15073	0.7
217.04979	1.2
245.04436	3.2
273.03922	3.0
287.05463	1.4
291.08630	1.7
301.03351	2.5
303.04868	2.3
319.04443	100.0
320.04965	1.1
385.05542	0.9
451.09906	1.6
453.56976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64365	0.2
65.03926	1.6
65.74415	0.2
68.99770	0.4
69.03409	0.3
70.06553	0.3
71.58668	0.5
81.03410	0.7
82.00423	0.3
84.59067	0.2
85.02887	0.6
91.05470	12.4
95.04914	0.3
97.02872	0.4
103.05427	0.4
107.04935	0.9
115.05418	0.2
116.51610	0.2
117.07013	0.6
119.04925	28.2
120.05273	0.4
121.02850	0.9
123.03516	0.4
123.04411	6.8
125.02285	0.2
125.98904	0.2
127.03900	0.6
131.04922	0.5
133.02832	0.3
133.06490	0.6
135.04393	0.4
137.02348	0.9
139.03891	0.6
141.06860	0.2
145.02829	0.3
145.06477	2.8
147.04387	100.0
148.04660	1.4
149.02321	1.2
151.03880	0.7
153.01831	1.6
153.05553	0.3
153.06935	0.4
155.06053	0.3
157.06474	0.8
159.04384	0.8
161.02342	0.5
163.03906	0.3
165.01796	0.9
166.16591	0.2
167.03401	0.4
169.06503	0.3
171.04405	0.8
173.02408	0.6
175.03949	0.6
177.01790	1.9
177.05437	0.6
179.03360	0.5
181.06454	0.7
183.02907	0.8
185.05943	0.6
189.05421	3.0
191.03380	0.4
193.04871	0.3
195.02837	1.9
197.05945	0.5
199.07513	0.4
203.03375	0.4
209.06027	0.5
213.05460	1.0
213.09187	0.2
219.02832	0.6
225.05403	0.4
227.07004	0.7
231.02968	0.3
231.06519	0.8
249.07651	0.3
254.05714	0.4
255.06509	2.0
257.04495	0.4
259.06079	1.3
261.03860	0.6
265.05008	0.3
267.06433	0.3
269.08069	0.3
271.06168	0.3
273.07401	0.6
281.04504	0.3
282.05176	0.6
283.05942	1.6
287.05444	1.7
291.08731	0.3
295.05893	1.2
297.07526	0.8
299.05447	0.7
301.07120	0.9
305.06415	0.9
309.09766	1.8
311.05505	1.3
313.07224	0.3
317.06549	1.3
323.05420	0.8
329.06534	3.4
347.07581	0.4
349.06827	0.4
367.08041	0.4
371.07571	0.5
373.10486	0.4
383.07687	0.3
395.07385	0.4
401.09930	0.5
413.08441	0.5
429.09750	0.9
447.10681	0.6
457.09241	1.2
461.08838	0.6
475.10178	6.7
478.77246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05494	1.1
65.03944	3.4
67.05473	1.4
68.05028	0.8
69.03418	2.4
69.07064	1.2
70.06604	0.7
71.04955	0.7
71.62337	1.5
76.62476	0.6
79.05477	7.1
80.04997	2.7
81.03383	1.6
81.05796	7.7
81.07053	6.6
85.02892	2.4
89.03914	2.6
91.05463	2.9
93.03412	2.7
93.07010	1.0
94.06596	0.8
95.04950	1.7
95.08592	1.1
96.08118	22.7
97.02882	40.4
97.06510	1.5
105.07029	0.8
106.06528	3.1
107.04926	1.3
109.02903	0.9
117.03359	8.9
119.04933	5.0
119.84710	0.7
120.05253	1.5
121.02855	2.5
121.10149	1.0
123.04459	0.8
124.07577	100.0
125.02399	0.9
125.05985	1.5
125.07976	1.2
127.03900	1.2
129.06981	2.5
132.89352	0.6
134.03546	0.8
135.04387	1.2
137.02304	0.9
137.05946	1.2
141.07018	1.0
142.08632	0.7
145.02832	29.2
145.90002	0.7
146.03271	0.8
147.04396	19.2
148.04730	7.3
149.02330	3.9
149.05943	4.7
151.03838	1.5
153.01801	1.9
157.06493	3.0
161.05945	0.8
163.63937	0.8
165.05472	0.8
167.03384	23.3
167.04807	1.6
167.07066	1.0
169.06485	1.2
174.06689	0.9
177.05447	74.7
178.05885	1.9
185.05919	1.4
186.05376	0.8
188.08340	1.0
189.05402	1.2
189.09073	3.9
199.07507	2.6
207.06537	1.0
213.05429	1.2
213.18492	1.0
217.08603	3.1
227.06993	3.5
229.05020	1.3
245.08043	6.8
257.04254	0.7
269.08139	0.8
270.08221	0.7
273.07565	2.3
277.54666	0.7
291.08603	18.8
291.11877	1.0
303.01483	1.2
303.04959	20.0
304.05295	18.5
309.09735	4.8
345.09827	1.1
432.08731	1.1
445.16879	0.7
481.92133	0.8
594.20795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76939	1.6
52.77202	1.6
65.03947	2.0
67.01852	1.5
68.27911	2.0
68.99783	2.9
69.00153	1.6
71.18110	2.2
71.18445	3.4
81.03396	4.2
85.02882	1.7
91.05470	4.9
97.02877	2.7
107.04951	3.5
119.04942	6.2
121.02853	3.9
121.06489	2.6
127.03914	3.5
135.04405	3.3
137.02319	14.3
137.05942	2.2
139.07529	2.9
143.85645	1.7
145.02847	2.2
147.04388	20.2
148.04799	5.5
149.05966	3.8
151.07533	3.3
153.01788	2.4
153.05399	3.0
163.03856	9.5
165.01836	11.2
167.07014	11.7
168.07787	2.6
175.03824	3.5
177.05450	9.7
178.06265	14.7
179.06979	6.7
181.04909	2.0
181.08656	2.5
185.06145	1.6
191.03349	2.8
191.06990	13.9
194.09390	5.4
195.06555	3.5
197.06133	1.8
201.05560	2.0
205.04962	9.4
219.06491	3.4
225.05525	2.8
229.04947	3.0
239.03392	2.4
241.05022	5.5
243.02974	2.9
245.00616	2.1
253.04848	3.3
257.04324	4.0
267.02771	1.8
268.03723	2.0
271.02402	2.2
273.00339	4.6
281.04492	6.2
282.05209	2.6
285.04041	2.9
287.05240	3.8
293.04639	2.0
295.02576	1.9
297.04108	2.2
303.04764	15.4
304.05331	6.0
305.05499	9.8
309.04007	7.2
311.05786	2.1
312.06180	3.1
313.03394	2.0
319.05917	1.9
321.04135	2.4
321.07611	2.9
322.04620	2.1
325.06992	3.1
327.05124	3.8
331.05832	3.9
333.07645	2.3
335.05429	2.8
345.04019	2.6
345.07681	2.6
347.05429	4.1
347.09274	2.5
349.07108	4.3
353.06839	2.1
359.05325	2.5
360.06097	2.6
361.06970	10.6
362.04010	2.2
363.04962	4.1
365.10318	4.3
367.08301	2.4
373.07294	5.6
375.08582	5.2
376.09549	2.6
377.06296	7.9
379.08112	5.0
385.07108	3.3
387.04965	3.0
388.05545	2.4
389.06497	3.9
390.03500	2.6
391.04050	2.2
391.08246	3.4
393.09760	2.8
397.12811	3.9
401.06778	7.6
402.07278	2.8
403.08136	8.6
404.04770	2.6
405.05933	23.6
405.10504	2.2
407.11447	3.7
413.06601	4.6
414.07339	2.6
419.07626	7.1
420.08493	4.2
421.09430	2.7
423.06775	3.3
425.12363	2.3
429.06155	6.1
431.07260	8.8
433.05414	37.6
435.11005	5.1
436.04379	2.7
443.11716	2.3
445.09464	3.5
447.06802	13.3
448.07922	5.9
449.08649	7.0
450.09497	2.7
451.06345	2.8
453.11682	8.7
456.08405	4.2
457.05627	7.0
459.06351	19.6
463.10211	45.2
466.08875	25.6
472.08292	2.9
473.08994	3.6
475.06387	11.5
477.11725	9.5
479.09995	3.0
480.10132	3.8
481.11270	40.1
487.10309	9.0
489.11996	8.8
490.09232	3.8
501.04947	2.4
503.05316	8.1
505.11252	79.5
506.11615	6.9
507.13065	80.5
508.13110	5.3
517.07855	1.8
521.10803	16.0
523.12299	44.0
524.13025	2.8
531.08997	5.8
533.10876	9.9
549.10248	75.4
550.10522	5.6
551.11804	100.0
552.12103	4.9
553.09680	2.1
567.11102	17.4
577.09717	56.0
578.10529	2.6
595.10785	58.9
596.10840	2.2
613.11768	59.5
613.21906	3.0
614.12115	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04497	1.0
51.66969	0.9
53.03932	2.8
55.01863	2.1
55.05270	1.4
55.05507	14.8
57.03429	5.9
57.07062	2.9
65.03912	1.7
67.05498	41.3
69.07058	17.3
71.04980	2.5
71.08640	1.2
79.05482	30.9
80.05805	1.2
81.07045	40.5
83.04966	1.4
83.08604	9.9
85.06535	1.8
90.61937	1.1
91.04926	1.7
91.05468	29.2
92.05759	1.0
93.07034	39.4
94.46424	1.1
95.04959	2.5
95.08599	36.0
95.09206	2.0
97.06531	3.1
97.10148	4.8
99.08111	2.2
105.07021	28.9
107.08584	21.6
109.06520	2.0
109.10137	13.4
110.10505	1.2
111.08062	2.3
115.05464	1.2
117.06998	10.6
119.08570	26.3
120.05305	1.0
120.08952	1.1
121.10141	14.8
123.08007	1.5
123.11708	4.5
125.09618	1.4
128.06252	2.4
129.07008	8.3
130.07698	1.1
131.08549	20.5
133.10114	21.3
135.11664	12.3
137.13326	2.3
141.06975	2.1
142.07820	1.5
143.08537	9.5
144.09239	1.0
145.10101	20.5
147.11661	16.6
149.13219	8.3
155.08545	5.1
157.10127	10.2
159.11685	15.9
161.13231	13.3
163.14825	3.0
167.08595	2.2
168.09392	1.1
169.10086	7.8
170.10878	1.1
171.11655	11.1
173.13258	12.2
174.13652	1.1
175.11237	1.3
175.14729	5.7
181.10097	3.5
183.11655	5.9
185.13248	9.8
187.14772	7.4
189.12700	1.3
189.16411	2.6
195.11699	2.5
197.13266	5.5
199.14793	5.2
201.16383	2.6
203.18019	1.6
209.13235	1.5
211.14828	3.1
213.16397	3.4
215.17924	2.9
221.07031	1.2
225.16330	2.3
227.17973	1.6
229.19440	1.1
231.21140	1.5
239.17923	2.6
241.19518	8.6
243.20956	1.4
257.19043	3.0
259.20566	16.0
261.22147	4.0
267.07217	1.2
271.20779	1.4
275.20190	1.4
297.22086	1.3
311.23685	1.3
315.23196	2.1
325.25497	1.9
333.24228	9.8
335.25735	19.0
336.25970	1.2
337.27615	1.4
339.26697	1.9
381.31503	1.3
409.30276	1.2
519.41882	7.3
537.42755	2.9
541.39038	2.0
575.44049	1.3
593.45795	8.5
611.46600	100.0
612.47095	10.7
636.38416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01870	2.6
55.05505	21.4
56.75899	1.1
57.03432	9.9
57.07061	3.4
65.03941	3.2
66.33335	0.8
66.39394	0.9
67.05499	61.0
69.03464	0.9
69.07065	22.3
71.04988	3.4
75.29035	1.0
79.05486	43.1
81.07048	56.5
83.08616	10.5
85.06540	2.1
91.05470	41.1
93.07038	47.4
95.04974	6.0
95.08595	44.9
97.06535	3.4
97.10168	5.4
98.21446	3.3
99.08105	2.3
103.05474	1.2
105.04528	1.1
105.07017	38.7
107.08580	27.0
109.06505	2.1
109.10151	18.1
111.08033	1.4
115.05502	2.2
117.07019	16.1
119.08567	34.5
121.06520	1.1
121.10141	21.3
121.10981	1.5
123.08072	1.9
123.11733	5.7
125.09644	1.2
128.06235	3.9
128.07228	0.8
129.07007	12.7
130.07837	1.1
130.98125	1.0
131.08553	35.1
132.55894	1.0
133.10112	27.3
135.11688	13.4
137.13306	1.7
141.06987	4.1
142.07788	3.3
143.08545	17.4
144.09346	1.7
145.10107	28.9
147.11665	21.4
147.12715	1.6
149.13245	8.2
154.07739	1.5
155.08533	8.2
156.09344	1.6
157.10112	16.4
159.11673	20.1
161.13249	14.7
163.14853	2.9
167.08604	2.1
169.10132	10.5
171.11664	15.9
171.12984	1.0
173.13243	15.4
175.11241	1.1
175.14810	6.2
177.12856	1.1
181.10162	2.8
183.11644	9.5
185.13254	12.5
187.14775	6.5
189.16394	1.7
191.17929	1.5
195.11755	3.6
197.13202	6.8
199.14816	8.9
201.16414	4.0
203.18034	1.6
209.13275	3.5
211.14857	4.7
213.16435	3.9
215.17987	2.6
216.87257	0.9
223.14778	2.4
225.16444	3.0
227.17953	3.1
231.21242	1.5
237.16457	1.6
239.17940	2.7
241.19493	9.4
243.21016	1.1
249.16298	1.4
253.19583	1.6
255.21246	1.4
257.19006	3.3
259.20514	18.0
260.21030	1.2
261.22186	3.7
266.00949	0.9
273.22116	1.1
275.20276	1.1
281.22580	1.1
285.22241	1.6
297.22272	2.0
299.23624	1.2
313.25278	1.1
315.23157	1.1
333.24258	10.5
335.25726	16.5
337.27582	1.6
353.28604	1.4
367.26114	1.7
367.30035	1.2
409.15259	1.1
432.23355	1.2
474.02820	1.0
501.35248	1.4
519.41827	6.4
529.38904	1.7
537.43237	5.1
541.38770	1.8
593.45551	8.4
611.46667	100.0
612.47064	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01857	1.7
55.05508	13.9
57.03420	2.9
57.07065	3.8
65.03940	1.6
67.05144	1.5
67.05497	28.5
69.06695	1.2
69.07056	13.8
69.46407	2.0
69.46835	4.1
71.04973	0.9
71.08620	1.8
79.05489	17.0
81.07047	29.0
83.04969	1.1
83.08607	8.5
85.06554	1.4
91.05461	17.5
93.07038	20.0
95.04972	3.2
95.08593	20.1
97.06539	1.9
97.10165	4.7
98.21490	1.5
99.08089	0.8
105.07019	17.7
107.08579	14.9
109.06503	1.1
109.10141	10.2
115.05444	1.1
117.07008	13.1
119.08568	16.9
121.10121	9.1
123.08067	1.1
123.11695	2.9
124.51865	0.8
125.09592	1.7
128.06230	1.9
129.07001	9.7
131.08553	17.0
131.09468	1.2
133.10120	12.3
135.11674	5.4
137.09480	0.9
137.13271	0.8
141.06938	3.5
142.07753	2.3
143.08557	13.1
145.10104	17.2
147.11661	6.3
149.09598	1.3
149.13272	2.0
153.28998	0.7
155.08530	6.8
155.70868	0.9
157.10107	10.9
158.10945	0.9
159.11670	11.8
161.09673	0.8
161.13228	4.0
163.14806	1.3
165.07031	0.9
165.16417	1.1
167.08627	2.5
168.09361	0.8
169.10123	8.3
171.11679	10.6
173.13258	6.7
175.14819	1.7
178.07838	0.8
179.08563	1.3
179.14278	1.5
181.10089	3.8
182.10831	1.0
183.11676	9.3
185.13243	8.1
187.14783	5.1
189.16405	1.8
195.11662	4.4
197.13246	6.4
199.13254	1.2
199.14822	6.4
201.12822	0.8
201.14726	0.7
201.16324	3.4
203.17979	1.3
205.19524	0.9
207.11710	1.6
209.13275	3.5
211.14761	4.3
213.16418	4.9
215.17989	2.6
217.07268	0.7
217.19588	1.2
221.13358	1.0
223.14792	2.3
225.16376	3.4
227.14342	0.9
227.17943	3.4
229.19518	2.9
235.14784	1.2
237.16400	1.9
239.17981	1.8
241.19534	2.5
243.21024	1.0
249.16490	1.0
251.17870	0.8
253.19559	1.6
255.21193	1.0
257.19077	1.3
257.22488	0.8
259.20703	1.0
265.19553	1.1
267.21152	1.1
275.20172	2.9
295.24329	0.7
297.22171	1.2
309.22495	0.9
313.21509	1.0
337.25281	0.8
339.27173	1.1
353.28506	1.7
405.30829	0.8
431.32858	0.8
449.34039	0.8
501.40848	1.6
519.41943	9.4
537.43158	7.1
541.39197	1.5
555.43774	1.1
593.45758	8.1
611.46631	100.0
612.46796	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78111	1.7
55.01868	2.1
55.05504	17.1
57.03417	4.7
57.07054	4.5
60.04892	1.6
65.03933	3.1
67.05493	40.4
69.07052	15.8
69.32355	5.5
69.32775	11.5
71.04985	1.7
79.05482	30.0
81.07045	43.1
83.08615	8.3
91.05467	26.8
93.07027	32.7
95.04958	2.3
95.08590	36.2
97.06522	3.2
97.10154	3.3
105.07007	27.5
107.08572	21.9
109.06545	2.4
109.10140	16.7
117.06995	13.0
119.08573	25.3
121.10116	13.8
123.11694	5.5
128.06207	2.1
129.07014	7.5
131.08525	17.5
133.10104	18.4
134.10504	1.6
134.55101	1.5
135.11687	11.0
137.13300	2.1
143.08527	13.0
145.10089	18.1
147.11659	14.8
149.13223	5.5
155.08537	6.7
157.10150	9.2
159.11682	14.4
161.13281	9.3
163.14827	3.2
169.10155	5.9
171.11667	12.3
173.13269	8.6
175.14853	4.8
177.16354	2.2
180.63841	1.5
181.10222	2.6
183.11678	6.4
185.13239	6.9
187.14824	5.7
189.16391	2.8
195.11604	3.2
197.13255	5.7
199.14767	7.3
201.16307	3.8
211.14777	3.9
213.16273	3.8
215.18002	2.0
225.16391	3.1
230.40031	1.6
239.17947	2.4
241.19537	5.8
257.18982	5.3
259.20499	9.7
261.22055	2.1
275.20053	4.3
293.21008	2.7
306.42722	1.7
315.23065	1.6
333.24139	9.8
335.25842	11.3
519.41870	4.7
537.42883	4.0
593.45642	8.9
611.46588	100.0
611.54767	4.5
612.46997	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.11641	0.2
51.79372	0.2
57.03415	0.7
61.02901	0.9
64.37673	0.2
68.99769	0.2
69.03415	2.8
71.04967	0.4
71.62151	0.5
73.02904	0.6
81.03409	1.5
85.02898	6.2
87.04443	0.6
89.63885	0.2
90.24959	0.2
91.03917	0.4
97.02883	2.2
98.20808	0.2
99.04456	0.4
109.02835	0.9
119.01912	0.3
121.02840	0.9
123.04408	0.4
127.03880	0.9
136.06105	0.6
137.02327	6.9
137.05951	0.4
145.04907	0.6
147.04356	0.7
149.02330	0.7
150.03018	0.3
153.01758	0.6
157.06459	0.4
161.02904	0.6
163.03911	0.6
175.03853	0.5
177.01860	1.0
185.05917	0.5
189.05446	8.5
189.07196	0.5
190.05826	0.3
193.04993	0.7
197.05995	1.3
201.05389	0.4
213.05453	5.5
215.03458	0.3
215.07500	0.3
217.05005	0.8
221.04971	0.3
225.05412	0.4
231.06549	1.2
241.04909	4.9
250.13017	0.7
251.13322	0.5
254.05159	0.3
259.06085	0.8
269.04446	3.5
269.92319	0.3
285.03915	0.3
287.05469	100.0
288.05865	2.3
303.04871	0.5
317.06497	2.0
329.06256	0.3
335.11942	0.3
336.51974	0.3
336.70776	0.3
392.08572	0.3
449.10797	4.6
449.18137	0.8
450.10818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07034	0.5
53.03934	0.9
57.03423	0.9
57.23600	0.6
61.02923	0.9
65.03931	1.0
67.05460	0.8
68.99763	0.6
69.03410	1.9
70.95560	1.1
70.95924	1.2
71.04983	1.1
75.33730	0.5
79.05479	0.5
81.03393	2.3
85.02891	8.8
87.00818	1.3
88.24068	0.5
89.03867	0.6
91.05467	9.2
93.06998	0.5
95.04979	1.0
96.35223	0.5
97.02888	4.7
97.42579	0.5
99.04436	0.8
103.05451	1.3
104.48857	0.5
105.01830	0.8
107.04940	1.5
109.02867	3.2
111.00797	0.9
111.04436	1.1
117.03318	0.6
119.04928	19.2
121.02842	1.5
121.06570	0.8
122.03616	0.9
123.04399	0.8
127.03911	3.5
131.04897	2.1
133.06438	2.4
135.08011	1.0
137.02339	3.4
137.05959	22.0
145.02823	1.8
145.04929	0.8
145.06407	1.2
147.04391	81.3
148.04721	2.2
149.05984	1.0
151.07487	2.1
153.01776	3.6
157.06441	0.7
161.05974	0.9
163.03918	3.2
163.07520	4.2
165.01808	1.5
165.05470	3.5
167.07007	0.7
173.05986	0.5
175.07559	1.6
177.05486	3.0
183.02942	0.7
187.07602	0.7
189.09062	0.7
201.05470	2.3
203.10648	0.7
229.04927	4.3
229.08470	0.7
239.41203	0.5
257.04532	2.3
261.97061	0.5
263.10492	0.6
285.04169	1.2
287.05478	5.1
295.13211	1.7
303.04959	100.0
304.05292	4.9
309.09741	1.3
315.04935	2.2
317.06473	2.1
327.15863	3.2
351.15897	0.7
381.05820	0.8
411.07187	0.9
450.09271	0.7
546.70190	0.6
611.12433	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	611.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76148	1.7
53.03941	2.3
55.01868	3.8
61.02906	2.5
67.05500	3.2
67.59501	1.5
69.03410	6.2
69.38399	20.9
70.06577	2.9
71.04978	3.3
79.05494	1.8
81.03403	7.7
85.02886	20.4
87.00807	7.0
91.05463	4.2
94.04173	2.7
95.04973	3.1
97.02869	11.3
98.21406	3.5
99.04440	2.2
103.05472	5.5
105.01866	5.4
105.07018	5.2
107.04944	3.2
109.02859	7.4
111.04440	2.1
119.04940	3.3
119.73298	1.6
121.06501	2.0
122.03637	7.6
127.03920	10.1
127.93626	1.7
131.04933	9.9
133.06470	15.1
135.08041	5.8
137.02342	2.6
137.05962	100.0
145.02850	2.1
145.04947	3.1
145.06456	6.2
147.04384	13.2
151.07567	8.4
157.06337	2.4
161.05966	4.0
163.07503	23.2
171.08076	2.6
175.07544	6.0
177.05475	4.7
181.08575	2.0
187.07550	3.4
189.09151	3.1
191.85919	2.5
201.09073	2.1
203.10632	4.1
216.04170	2.0
229.08574	3.1
237.03346	2.1
257.04388	3.9
285.03903	3.6
287.05563	4.1
295.13351	9.7
303.05002	34.0
315.04855	4.3
315.08524	1.9
316.05292	3.7
317.06458	24.8
327.15976	15.4
345.09644	2.8
351.15851	5.2
355.15417	1.8
369.16736	2.6
370.10730	2.0
393.16992	2.5
411.17975	3.0
533.61041	1.8
623.87299	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	611.1595
Annotation	Rutine
Peak:m/z	Relative Intensity
50.77637	0.2
57.03424	2.0
61.02911	1.7
64.15112	0.2
69.03409	0.3
69.49759	1.6
69.50175	0.6
71.04980	11.4
73.02887	0.6
75.04466	0.5
81.03404	0.3
83.04952	0.6
85.02889	13.6
87.04444	0.3
91.03923	1.1
97.02872	1.0
98.21480	0.3
105.37538	0.3
109.02828	0.5
111.00781	0.6
111.04425	0.4
121.02821	0.9
123.04429	0.2
127.03902	0.5
129.05472	3.5
137.02315	3.2
137.20300	0.2
144.92706	0.2
145.04916	0.5
147.06494	1.0
153.01807	2.8
157.73447	0.3
163.03897	0.5
165.01823	1.6
183.02856	0.7
201.05336	1.2
229.04926	3.3
246.05318	0.3
247.06000	0.5
257.04456	1.9
262.77579	0.2
274.04684	0.6
275.05322	0.4
285.03952	1.3
302.03995	0.3
303.04944	100.0
304.05255	3.8
315.04904	0.8
315.08383	0.3
316.08856	0.5
317.06342	0.3
327.04782	0.2
345.05902	1.3
369.06009	0.8
411.06604	0.3
447.09189	0.4
465.10254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95190	0.3
51.98532	0.2
57.03428	1.9
59.33119	0.3
61.02920	2.2
68.99790	0.7
69.03381	0.5
70.06571	0.4
71.04982	10.4
71.16645	0.4
71.16970	0.5
73.02899	0.8
75.04463	0.6
81.03413	0.4
83.04968	0.6
85.02892	13.4
86.87894	0.3
91.03923	1.1
97.02902	1.5
99.29357	0.3
109.02827	0.4
111.00812	0.7
111.04443	0.6
121.02840	0.7
123.04410	0.5
127.03837	0.7
129.05464	4.0
135.04276	0.3
137.02306	2.9
144.08099	0.4
145.04832	0.7
146.05984	1.1
147.04391	0.4
147.06494	1.3
149.02429	0.5
153.01810	3.1
161.06032	0.4
163.03914	0.4
165.01814	1.9
169.01202	0.3
173.06161	0.3
181.18091	0.3
183.02797	0.4
187.03906	0.4
188.07018	0.6
201.05463	1.1
229.04947	4.2
232.06055	1.1
247.06049	0.7
247.08380	0.3
257.04358	3.0
262.10803	1.3
274.04752	0.8
275.05280	0.3
285.03830	1.4
287.05350	0.9
293.72675	0.3
302.04153	0.4
303.04947	100.0
304.05243	3.0
317.06577	1.7
322.69403	0.3
345.05969	0.7
415.41360	0.4
449.10452	0.3
455.59805	0.3
465.10080	1.1
519.57465	0.4
579.09412	0.4
611.21887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79871	0.7
50.86201	0.7
55.63714	0.7
56.15370	0.8
57.03422	1.8
69.03419	9.8
70.76691	1.6
70.77081	1.6
85.02891	7.2
87.04462	5.0
92.02602	1.3
93.03368	1.1
96.94060	0.8
97.02877	7.3
109.02889	0.8
111.00777	0.8
111.94861	0.8
115.03918	4.1
119.04939	1.8
121.02835	2.0
127.03898	1.6
133.04944	5.2
137.02377	0.9
137.05969	2.3
139.03911	1.0
145.02823	1.6
147.04385	6.9
151.03897	2.1
153.01802	7.7
163.03871	0.9
168.38554	0.8
177.05429	1.5
177.09230	0.8
203.03418	1.2
228.04152	1.3
229.04948	3.5
245.04410	1.2
257.04477	2.2
274.04626	3.7
285.03922	2.9
299.11545	0.7
302.04172	11.7
303.04929	8.1
317.06519	100.0
318.06879	3.5
329.06552	3.7
359.07449	5.1
383.07556	2.9
443.09647	1.0
461.10449	1.8
479.11520	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	611.1597
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
50.91224	0.4
57.03427	2.8
57.06800	0.4
59.04996	0.5
61.02910	1.2
69.03057	0.5
69.03416	7.6
69.37624	1.3
69.38047	2.9
73.02908	0.9
73.92710	0.4
81.03393	0.6
85.02895	6.9
87.04459	5.7
91.03954	0.5
92.02627	0.6
93.03393	0.6
95.64687	0.6
97.02879	6.7
115.03908	5.7
119.80772	0.5
121.02861	1.2
127.03899	0.6
133.04950	5.6
137.05939	1.9
139.03893	0.6
145.04968	0.6
147.04411	1.3
151.03833	0.8
153.01801	4.9
177.05457	0.8
195.83656	0.4
200.01379	0.5
200.04622	0.6
201.05482	0.6
217.04895	0.6
226.92166	0.4
228.04182	0.8
229.04976	2.2
245.04359	0.8
246.05176	1.3
250.77078	0.5
257.04376	2.2
273.03961	1.5
273.13617	0.6
273.22485	0.4
274.04660	4.0
284.03320	0.5
285.03888	3.4
287.05551	0.7
302.04156	9.7
303.04932	4.5
317.06512	100.0
318.06818	3.0
329.06528	2.2
359.07431	2.7
383.07568	1.7
442.55493	0.5
452.92941	0.4
461.10745	0.7
479.11752	1.9
588.29071	0.5
611.11951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1385
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
51.00973	0.2
51.08558	0.3
53.03935	0.5
55.01852	0.3
57.03413	0.5
61.02923	0.5
65.03923	1.3
67.05493	0.2
68.99781	0.7
69.03414	1.0
69.07059	0.3
70.06562	0.3
70.25597	1.0
71.04975	0.6
75.43423	0.2
81.03407	1.7
85.02390	0.4
85.02893	7.5
87.00819	0.4
91.05465	11.8
93.03387	0.3
95.04945	0.9
97.02882	5.0
97.06545	0.3
99.04416	0.3
103.05408	0.5
105.07007	0.4
107.04950	0.3
109.02881	1.8
111.00777	1.0
111.04430	0.3
119.04926	22.1
120.05212	0.3
121.02826	1.3
122.03629	0.4
123.04443	0.5
127.03891	2.4
131.04878	0.8
133.06497	1.0
135.04359	0.5
135.08049	0.2
137.02325	4.1
137.05952	8.8
145.02856	0.3
145.04910	0.3
145.06464	0.6
147.04387	81.8
148.04710	1.6
149.02315	0.6
149.05948	0.3
151.07532	0.8
153.01804	4.9
157.06525	0.5
161.05975	0.9
163.03905	1.6
163.07500	2.1
165.01797	2.6
165.05457	2.3
166.02628	0.3
171.08037	0.3
173.05981	0.6
174.06833	0.3
175.07487	0.7
177.05464	1.1
179.03374	0.4
183.02823	0.7
187.03870	0.3
187.07500	0.5
189.08989	0.3
195.02818	0.4
201.05403	1.8
201.09102	0.3
203.07129	0.3
219.10086	0.4
229.04889	5.6
229.06911	0.4
233.04396	0.3
247.06042	1.0
247.27156	0.3
247.65112	0.2
257.04437	3.2
273.07532	0.3
274.04669	0.9
285.03918	2.0
287.05539	1.5
291.08594	0.8
295.13245	0.6
303.04947	100.0
304.05240	3.7
309.09650	1.1
315.04898	2.3
317.06473	1.6
327.04828	0.5
327.15854	0.8
339.04880	0.3
345.05951	0.4
369.05984	0.7
381.05850	0.6
411.07086	0.6
411.17700	0.3
429.08005	0.5
439.00836	0.3
593.12842	0.3
611.13702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1388
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.02357	0.2
51.08567	0.2
53.03936	0.2
55.01851	0.2
57.03432	0.2
61.02907	0.4
63.02687	0.2
65.03920	1.5
68.99768	0.7
69.03417	0.8
71.04987	0.5
71.60239	0.3
72.82471	0.2
76.96244	0.2
81.03403	1.1
85.02892	2.7
91.05464	9.0
93.38857	0.2
95.04947	0.4
97.02871	2.0
97.06507	0.3
98.21389	0.2
103.05421	0.3
103.99090	0.2
105.07018	0.2
107.04958	0.2
109.02836	1.3
111.00764	1.2
115.05438	0.2
117.07034	0.3
119.04929	18.7
120.05264	0.4
121.02860	1.0
127.03895	1.9
131.04860	0.5
133.06459	0.6
135.04355	0.2
135.08058	0.3
137.02328	3.8
137.05957	3.9
145.02831	0.3
145.04915	0.3
145.06494	0.6
147.04388	76.0
148.04752	1.3
149.02333	0.5
151.07582	0.2
153.01817	4.7
155.04881	0.3
157.06520	0.4
160.94948	0.2
161.05933	0.5
163.03862	0.9
163.07510	1.0
165.01822	2.3
165.05466	2.1
166.02631	0.2
173.05956	0.7
177.05478	0.6
179.03349	0.3
183.02844	0.8
183.04333	0.4
187.03841	0.3
187.07558	0.3
191.06979	0.2
191.77583	0.2
201.05426	2.0
211.03848	0.2
228.03993	0.3
229.04922	4.8
229.08514	0.4
231.06465	0.5
247.06042	0.8
257.04434	3.4
273.07593	0.3
274.04694	0.8
285.03976	1.4
287.05380	0.4
291.08615	1.0
302.04028	0.3
303.04953	100.0
304.05283	2.8
309.09686	1.0
315.04898	0.8
317.06628	1.1
327.04791	0.2
327.15683	0.3
345.05902	0.6
369.05618	0.3
402.45490	0.2
411.07214	0.4
461.08392	0.3
469.16296	0.2
480.49612	0.2
611.13538	0.4
611.29919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1389
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03934	0.3
55.01857	0.3
57.03414	0.4
58.35647	0.2
61.02887	0.3
65.03912	1.2
67.05508	0.2
68.99775	0.9
69.03420	1.2
70.06574	0.3
71.04984	0.7
71.66097	0.2
73.02917	0.2
77.43227	0.2
78.37927	0.2
79.05479	0.2
81.03397	1.5
81.07087	0.2
81.26214	0.2
85.02893	6.4
87.00824	0.2
91.05468	10.2
93.03385	0.2
93.07082	0.2
95.04950	0.7
95.09567	0.2
97.02876	4.0
99.04448	0.2
103.05428	0.3
105.01836	0.3
105.07016	0.3
107.04906	0.3
109.02879	1.4
110.03638	0.3
111.00789	1.1
111.04418	0.3
115.05473	0.3
117.06975	0.2
119.04924	22.0
120.05237	0.4
121.02847	1.5
122.03657	0.5
123.04410	0.5
127.03898	2.0
131.04890	0.8
133.06459	0.8
135.04395	0.5
137.02325	4.1
137.03374	0.5
137.05948	6.4
145.02826	0.6
145.04919	0.5
145.06430	0.4
147.04384	76.4
148.04707	1.3
149.02322	0.6
151.04005	0.3
151.07513	0.6
153.01799	4.5
159.04375	0.2
161.05902	0.6
163.03918	1.1
163.07506	1.4
165.01810	2.4
165.05437	2.9
166.02542	0.3
169.06512	0.3
173.05954	0.5
175.07487	0.2
175.20683	0.2
177.05418	0.6
179.03345	0.3
183.02939	1.1
183.04333	0.4
185.05997	0.2
187.03851	0.4
187.07477	0.3
189.09059	0.5
191.06956	0.2
195.02863	0.3
201.05431	2.0
203.10539	0.2
215.03265	0.2
219.06532	0.4
228.04050	0.4
229.04909	5.1
229.08374	0.3
231.06432	0.4
233.04431	0.2
247.05972	0.9
257.04391	3.0
273.07443	0.2
274.04730	0.9
285.03989	1.6
287.05444	0.7
291.08612	0.7
295.13327	0.3
302.04224	0.3
303.04944	100.0
304.05264	2.7
309.09732	1.0
315.05008	1.9
316.05466	0.3
317.06467	1.5
327.15790	0.6
332.86160	0.2
343.04007	0.2
345.06009	0.7
369.06143	0.4
381.05832	0.3
393.05667	0.2
411.07004	0.4
429.07858	0.3
611.12988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
56.98145	0.2
58.24018	0.3
65.03938	1.6
66.24859	0.2
67.35179	0.2
68.99780	1.1
69.03413	0.7
69.36295	0.3
69.36629	2.7
71.04954	0.4
71.60582	0.2
81.03393	0.8
81.07056	0.4
85.02883	1.0
90.36104	0.2
91.05464	9.9
93.03405	0.4
94.37714	0.2
95.04974	0.4
97.02892	1.4
97.06509	0.3
99.04398	0.3
109.02845	0.9
111.00777	0.9
115.05390	0.4
119.04921	23.9
121.02832	1.1
123.04382	0.3
127.03881	1.5
131.04889	0.3
135.04366	0.4
137.02315	4.0
145.02803	0.3
147.04385	72.5
148.04703	0.7
149.02309	0.8
153.01808	4.6
155.04921	0.3
157.06488	0.4
161.06062	0.5
163.03917	1.2
165.01799	2.4
165.05469	2.3
166.02660	0.5
173.05948	0.5
176.15787	0.2
177.05469	1.3
183.02858	0.8
183.04333	0.5
187.03859	0.3
191.06961	0.6
195.02856	0.3
201.05466	2.4
213.05528	0.4
219.02792	0.3
219.06496	0.5
229.04909	5.7
231.06485	0.5
247.05923	0.8
257.04413	3.7
271.05798	0.2
274.04611	0.8
285.03906	1.1
287.05441	0.9
291.08533	0.9
303.04941	100.0
304.05295	1.5
309.09695	1.2
315.04831	0.4
345.06088	0.3
556.20709	0.3
579.10083	0.8
611.11139	0.3
627.91150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.02375	0.1
53.03932	0.1
55.01868	0.2
57.03418	0.2
58.35862	0.1
61.02900	0.2
65.03912	0.9
66.83978	0.1
67.05479	0.2
68.99785	0.3
69.03401	0.3
71.04964	0.3
71.62395	0.2
73.02879	0.1
81.03414	0.6
81.07056	0.1
85.02895	1.0
86.06065	0.1
89.03891	0.2
91.05463	8.9
93.03391	0.1
95.04915	0.2
97.02882	0.9
97.06504	0.1
99.04443	0.3
105.07008	0.2
107.04915	0.2
107.08598	0.1
109.02859	0.4
111.00727	0.3
112.07766	0.1
117.03357	0.3
119.04922	22.9
120.05250	0.3
121.02845	0.6
121.14760	0.1
122.05995	0.1
123.04421	0.2
127.03916	0.3
129.06987	0.1
129.24138	0.1
130.18053	0.1
133.06476	0.1
135.04390	0.3
137.02310	1.7
137.05904	0.3
141.67419	0.1
145.02794	0.7
145.06441	0.2
147.04384	100.0
148.04709	1.4
149.02324	0.3
153.01785	2.0
163.03923	0.6
165.01825	1.1
165.05463	0.4
166.02594	0.2
167.07036	0.1
168.00475	0.1
173.05954	0.3
177.05467	1.3
178.06139	0.3
179.03358	0.2
179.06700	0.2
179.38525	0.1
181.04886	0.1
183.02873	0.3
183.04333	0.2
184.07335	0.1
187.03918	0.3
191.03362	0.2
191.06972	0.1
193.04866	0.1
195.02850	0.2
201.05389	1.2
219.02675	0.1
219.06618	0.1
229.04942	2.1
231.06450	0.1
247.05881	0.5
249.07622	0.2
257.04355	1.4
271.05945	0.2
274.04681	0.4
285.03915	0.8
286.04376	0.1
287.05331	0.3
291.08615	0.4
299.05273	0.2
303.04941	43.8
304.05298	1.3
309.09647	3.9
310.09933	0.1
315.04883	0.6
315.08133	0.1
316.05536	0.1
317.06467	0.4
327.04752	0.4
327.08621	0.1
329.06256	0.1
331.04395	0.2
333.04919	0.2
341.06726	0.1
345.05984	1.7
346.06409	0.2
348.07455	0.1
361.09149	0.8
362.09460	0.6
363.09579	1.0
369.06036	0.3
393.05734	0.2
411.07047	0.5
421.09000	0.3
449.08472	0.2
579.10034	0.6
589.88147	0.1
611.13367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.04913	0.2
55.05506	0.4
57.03420	0.3
61.02887	0.4
67.05495	0.4
68.15700	0.2
68.99776	0.2
69.03428	2.2
71.04975	0.3
74.82050	0.2
79.05483	0.4
81.03412	2.4
81.07038	0.5
83.04974	1.3
85.02888	2.1
87.00808	0.9
91.05444	2.3
95.04951	1.3
95.08585	0.3
96.04479	0.2
97.02882	100.0
98.03227	0.9
99.04453	0.7
103.03938	0.5
103.05468	0.2
105.01917	1.0
105.03382	16.3
105.04496	0.4
105.07018	0.3
106.03696	0.2
107.05005	0.2
107.08546	0.2
109.02887	1.2
111.04435	1.4
114.05491	0.4
123.04446	0.4
125.02331	0.2
127.03926	1.4
129.05420	1.0
131.04941	0.4
137.05975	0.2
139.03896	0.6
139.77925	0.2
143.03465	0.2
145.02759	0.3
145.04956	0.3
147.04405	0.5
147.11603	0.2
151.03864	0.3
159.02844	0.3
163.03918	0.4
167.76613	0.2
175.03944	0.2
177.05504	0.9
181.04939	0.4
183.02881	0.2
189.04001	0.5
195.06622	0.6
199.05859	0.2
201.05450	0.3
202.61789	0.2
205.04907	0.5
213.03848	0.3
215.05501	0.7
219.06531	1.8
221.46658	0.2
223.06030	0.5
229.85696	0.3
231.05103	0.2
237.07539	2.7
241.07095	0.5
249.07495	0.3
309.05875	0.3
317.06421	0.4
327.07196	0.6
345.08054	1.1
431.09695	0.7
449.10474	1.0
467.11771	1.5
485.12970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01859	2.2
55.05503	17.0
57.03428	3.8
57.07054	3.2
59.04981	0.7
61.37059	0.5
63.32647	0.6
65.03930	1.6
67.05494	25.6
69.07056	14.2
70.23387	2.0
70.23798	1.1
71.04980	2.5
71.08606	0.9
77.03909	0.8
79.05481	18.2
81.07042	28.1
83.04967	2.0
83.08601	7.2
85.06530	1.4
91.05463	17.2
93.06445	1.0
93.07029	18.1
95.04961	2.9
95.08589	22.5
97.06512	2.6
97.10124	3.7
99.08067	0.9
103.05431	0.7
105.04472	0.6
105.06335	1.0
105.07018	16.3
107.08573	12.3
109.06496	1.0
109.10135	9.3
111.08081	1.1
113.29514	0.6
115.05441	1.3
117.06998	10.1
119.08559	16.4
121.10115	8.0
123.08054	1.6
123.11691	2.3
125.09600	1.8
128.06194	3.6
129.06985	14.5
130.07776	0.7
131.08546	14.8
133.10106	10.8
135.11671	6.1
137.13205	1.1
139.11127	0.7
141.06961	6.6
141.07930	0.7
142.07782	3.3
143.08534	16.0
144.09189	0.7
145.10106	16.8
147.11662	7.9
149.13260	3.2
151.14816	0.6
153.07024	1.6
154.07726	1.7
155.08533	14.8
156.09280	1.7
157.10106	16.7
159.11673	12.0
161.13239	4.9
163.14810	1.2
165.06970	1.6
166.07809	1.3
167.08539	7.9
168.09351	2.2
169.10094	18.9
170.10742	1.4
171.11664	15.2
171.13063	1.1
172.12093	0.6
173.13235	7.8
175.14842	2.0
178.07756	0.6
179.08545	2.7
180.09367	1.6
181.10095	11.6
182.10837	2.8
183.11668	18.7
183.47060	0.5
184.12387	1.2
185.09723	0.8
185.13222	12.1
187.14793	4.2
189.16333	2.0
191.08493	0.7
192.09193	0.7
193.10025	4.2
194.10899	1.0
195.11667	11.9
196.12375	1.0
197.13237	14.7
198.14001	0.6
199.11311	0.7
199.13118	1.3
199.14790	8.5
201.16351	2.8
203.17963	0.9
205.10146	1.2
207.11702	3.7
208.12477	1.1
209.13220	10.9
211.12804	0.4
211.14766	10.4
213.14789	0.6
213.16412	4.9
215.17888	0.7
219.11665	1.6
221.13182	4.8
222.13898	0.8
223.14798	7.4
224.15428	0.8
225.16338	6.0
227.16119	0.8
227.18039	4.5
229.19505	0.8
233.13258	1.8
235.14844	3.8
236.15469	0.6
237.16370	5.6
239.17966	4.2
241.19601	1.5
247.14795	1.2
247.38988	0.6
249.16367	2.7
251.17921	3.7
253.19524	2.3
255.21111	0.9
257.19067	0.6
261.16299	1.2
263.18045	1.5
265.19513	2.0
267.21085	1.3
269.22495	0.8
273.22037	0.7
275.20203	0.9
277.19318	1.6
279.21100	1.1
281.18961	1.3
281.22363	0.9
283.20523	1.0
286.25934	0.6
287.23737	0.7
291.20953	1.4
293.19128	1.0
293.22455	1.2
295.24002	0.7
297.22147	0.9
299.19907	0.6
299.23688	0.6
303.45358	0.6
307.20581	0.7
309.22101	1.3
313.21860	0.9
321.22153	1.6
323.23615	1.5
325.21634	0.7
325.25278	0.9
333.22037	1.2
335.23465	1.4
337.25168	1.4
339.23203	1.4
339.26935	0.9
341.24738	1.2
343.22610	0.6
349.25183	1.2
351.26849	2.8
353.24857	1.1
355.26483	1.0
363.26810	2.1
365.28439	1.8
369.27905	0.9
375.26541	0.6
377.28329	1.3
379.29947	1.4
389.28183	0.7
391.30136	1.1
393.31689	0.6
395.29440	1.0
405.31580	1.2
407.29108	1.0
409.31143	0.8
433.31216	0.8
435.32501	1.3
447.32541	1.6
461.34024	1.1
475.35690	1.1
487.33530	0.9
499.39441	3.0
511.34796	0.9
515.38025	0.7
517.40448	16.6
525.35809	1.2
535.41620	7.8
539.37268	1.7
547.41901	0.6
553.42078	0.8
555.40698	0.7
573.42896	1.8
591.43933	15.8
592.44562	1.0
609.45020	100.0
610.45514	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03927	2.0
55.01868	1.1
55.05505	13.3
55.64186	0.8
57.03429	4.4
57.07070	1.6
60.38568	1.0
66.55215	0.8
67.05503	22.2
69.07062	12.0
70.24738	4.7
77.03899	1.1
79.05482	14.6
81.07047	23.5
83.08605	4.8
85.06529	0.9
91.05468	13.8
93.07034	16.2
95.04952	2.5
95.08595	19.0
97.06523	2.7
97.10168	3.8
105.07016	14.8
106.79249	1.0
107.08588	11.7
109.10135	7.6
111.08151	1.0
117.07002	8.4
119.08572	14.1
121.10111	7.5
123.11688	1.5
125.09648	1.0
128.06241	2.8
129.06992	9.7
131.08548	11.6
133.10138	9.3
135.11708	5.4
135.62981	1.0
137.13297	1.3
141.06960	5.0
142.07790	2.6
143.08551	15.2
145.10115	13.4
147.11690	6.4
149.13283	2.4
153.07034	1.7
154.07822	1.5
155.08524	10.1
156.09277	1.5
157.10110	15.7
159.11681	7.6
161.13261	2.7
163.87263	0.9
166.07820	1.3
167.08595	5.1
168.09457	1.1
169.10103	18.2
171.11674	11.4
173.13263	6.3
175.14879	2.3
179.08691	2.2
181.10098	7.6
182.10864	1.7
183.11670	16.3
185.13208	9.7
187.14839	3.3
193.10109	3.8
195.11671	10.9
196.12306	1.5
197.13231	10.0
199.14771	6.4
201.16426	3.1
207.11743	3.6
209.13188	8.3
211.14795	7.5
213.16405	2.9
219.11755	1.3
221.13275	3.4
223.14806	6.3
225.16357	5.7
227.17992	3.4
233.13177	1.6
235.14784	2.1
237.16388	3.1
239.17943	4.1
241.19695	1.4
249.16324	1.2
251.17946	2.2
253.19640	2.0
263.17911	1.7
265.19626	1.3
267.20938	1.4
275.20218	1.3
279.21198	1.2
297.22104	1.4
321.22116	1.1
323.23590	1.4
325.25220	1.4
335.23752	1.4
337.25211	2.4
351.26938	1.5
363.27054	1.2
365.28458	2.7
379.30231	1.8
383.29178	1.3
407.29022	1.4
447.32254	2.3
449.34036	1.2
461.34308	1.3
499.39435	2.0
517.40338	17.1
518.41217	1.7
535.41461	8.7
539.37799	1.4
540.38086	1.8
553.41742	1.0
573.43329	2.5
591.44055	15.5
609.45050	100.0
610.45477	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	609.4505
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	2.2
55.04613	0.7
55.05507	15.5
57.03432	4.2
57.07057	2.7
65.03913	1.4
67.05499	30.6
69.07061	13.9
69.38813	7.4
71.04971	2.2
72.05097	0.6
74.46073	0.9
79.05487	21.6
81.07048	29.6
83.04958	1.8
83.08613	7.9
85.06526	1.1
91.05476	18.9
93.07040	23.0
95.04955	3.3
95.08599	23.9
97.06511	4.4
97.10166	4.7
98.21471	1.7
105.07020	22.1
107.08590	12.7
109.06525	1.0
109.10146	9.9
111.08083	1.8
115.05434	2.1
117.07031	11.4
119.08573	16.5
121.06596	0.7
121.10132	11.0
123.08054	1.1
123.11706	3.1
125.09634	1.7
128.06178	3.5
129.06998	10.3
130.07825	1.1
131.08548	18.3
131.09474	1.2
133.10121	13.5
135.11688	6.1
137.09677	1.0
139.20326	0.8
141.06987	4.7
142.07765	3.5
143.08540	15.0
145.06512	0.7
145.10106	16.8
147.11659	7.9
149.09599	1.6
149.13269	3.3
153.07025	1.3
154.07822	0.9
155.08527	10.9
156.09334	1.5
157.10107	14.4
158.10875	0.8
159.11679	11.0
161.13222	4.5
163.11122	1.0
163.14780	2.0
165.06963	1.1
166.07727	1.1
167.08551	4.4
168.09338	1.6
169.10130	14.3
170.10849	1.0
171.11662	11.7
173.13258	7.5
175.14867	1.6
179.08493	1.8
181.10112	8.7
182.10927	1.2
183.11684	14.9
185.13245	8.4
187.14755	3.7
189.16385	2.2
193.10168	2.1
195.11679	8.2
197.13237	9.2
199.14845	6.2
201.16385	2.4
203.18054	1.0
205.10262	0.8
207.11713	2.5
207.52267	0.7
209.13254	7.7
211.14777	6.7
213.16479	2.6
219.11717	0.9
220.12473	0.9
221.13190	2.6
223.14835	5.0
225.16376	5.1
227.17943	2.5
233.13286	1.5
235.14856	2.6
237.16330	3.9
239.17905	3.8
247.20584	1.1
249.16409	2.5
251.17947	2.7
253.19745	1.1
257.19012	2.6
261.16376	0.7
265.19543	1.9
267.21042	1.0
267.64774	0.9
269.19058	1.4
275.20056	5.5
277.19568	0.8
279.21164	1.1
282.08237	0.7
283.20715	1.0
293.22791	0.7
299.20172	0.8
309.22061	0.8
311.23584	1.0
321.22189	1.1
323.23712	1.5
327.23175	0.9
337.25101	1.2
349.25165	1.2
351.26761	1.5
361.25360	0.8
365.28540	1.9
379.30276	1.3
391.29922	1.6
409.30997	1.3
421.31030	0.9
429.31616	0.9
433.30869	1.1
447.32709	1.3
461.33240	1.1
499.39597	2.0
517.40338	9.4
518.40546	1.2
521.35974	1.1
535.41656	5.4
539.37317	1.7
540.37866	1.3
541.38831	1.1
573.42950	1.5
591.44098	9.3
609.45068	100.0
610.45465	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	609.27
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
50.20789	0.3
52.69063	0.3
53.03938	0.4
55.01857	1.3
55.02098	0.3
55.05505	3.0
57.03438	0.7
65.03928	0.5
67.05154	0.5
67.05495	7.1
69.06757	0.3
69.07069	3.7
69.37486	3.2
79.05478	5.8
81.07050	6.1
83.08600	1.2
85.06527	0.4
86.11013	0.4
91.05476	4.9
91.61122	0.3
93.07033	6.8
95.04974	1.7
95.08594	5.1
97.06542	1.7
98.20510	0.4
105.07017	4.8
107.04942	0.9
107.08584	4.2
109.06512	0.6
109.10148	2.0
117.07008	1.7
119.08564	3.9
121.10133	2.3
123.11697	0.7
125.09660	0.5
128.06175	0.4
129.06984	1.4
131.08546	2.4
133.10106	2.7
135.11681	1.6
141.06981	0.6
143.08540	1.9
145.10117	3.7
147.11714	2.0
149.09622	1.1
155.08572	1.3
157.10112	1.7
158.04933	0.3
159.11697	2.0
161.13292	0.7
163.11200	0.7
167.08675	0.5
169.10143	1.7
171.11687	1.8
173.13237	1.0
175.14870	0.8
176.95242	0.3
179.14314	1.2
181.10089	0.6
183.11667	1.7
185.13263	0.9
195.11739	1.0
197.13292	1.4
199.14813	0.7
209.10736	0.4
209.13245	0.8
211.14868	0.8
223.14723	0.5
225.16380	0.5
236.96410	0.4
237.16354	0.5
239.17883	0.6
257.19025	1.5
258.45306	0.3
275.20032	5.5
292.16473	0.3
292.30081	0.4
293.21127	0.5
303.23462	0.3
313.71896	0.3
329.24438	0.4
331.22906	0.4
335.25900	0.7
387.16400	0.4
389.17743	1.2
390.18704	0.6
391.19196	0.9
401.17758	0.6
402.18442	0.7
403.19333	1.8
404.19989	1.0
405.20932	2.4
406.21356	0.5
407.22375	1.2
415.19202	1.0
416.20285	0.7
417.16812	1.4
417.20905	1.2
418.17648	1.0
419.22919	2.9
420.23337	0.7
429.16571	0.7
429.21570	0.6
430.17896	1.1
431.18011	3.4
432.19339	1.4
433.20108	5.5
434.20898	1.1
435.21753	0.5
443.18716	1.8
444.19009	1.8
445.19852	3.0
446.21228	2.8
447.21869	3.8
448.22806	2.1
449.23154	0.4
458.20941	5.4
459.21707	4.1
460.22748	3.5
461.19211	0.9
463.20792	2.2
473.23361	0.6
475.21130	1.1
476.21942	2.3
477.22830	1.2
479.24368	0.5
489.18518	0.6
491.20541	0.8
503.24240	0.6
515.23981	0.5
516.21857	0.4
517.22351	0.9
517.40308	1.9
518.23108	2.9
519.23804	9.3
520.24475	0.4
521.22260	1.7
521.24811	1.6
531.23975	1.1
532.24701	1.2
535.41425	0.8
536.23602	0.8
549.24664	3.3
551.25885	0.6
563.26617	0.5
586.31396	0.4
591.25916	11.3
591.44080	1.6
609.26965	100.0
609.43976	15.1
610.27747	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	609.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
55.01857	10.6
55.05504	31.3
57.03426	7.8
57.07051	3.2
65.03928	8.8
67.05497	95.9
69.07061	41.6
70.15415	2.5
70.89363	5.9
70.89770	5.1
71.04978	3.0
79.05479	97.1
81.03402	9.0
81.07047	94.8
81.07416	1.4
83.04974	14.1
83.08607	11.1
85.06521	3.1
85.63380	2.5
91.05467	100.0
93.07037	93.2
95.01322	14.8
95.04964	23.8
95.08012	5.3
95.08597	66.5
97.06516	21.4
97.10154	5.8
102.21121	2.2
103.05408	4.6
104.23175	2.3
105.07020	94.6
107.04935	22.8
107.08587	40.6
109.06499	5.8
109.10136	16.5
111.08063	5.8
111.20879	2.4
117.06994	21.6
119.08561	54.1
119.98547	2.1
121.06499	2.9
121.10141	24.6
123.08077	5.5
123.11678	6.7
124.63267	2.6
125.09619	4.2
128.06094	2.8
129.06976	3.7
131.08563	39.5
133.10110	44.3
135.08043	4.6
135.11655	16.1
137.09612	3.2
143.08519	3.3
145.06407	4.2
145.10120	30.0
147.11652	19.8
149.09621	8.7
149.13249	6.0
157.10089	4.7
157.57690	2.4
159.11653	16.5
161.13210	8.2
163.11179	5.3
165.09216	3.2
169.10095	2.9
171.11703	6.7
173.13220	7.6
177.12717	5.6
179.14294	18.1
183.11748	6.0
185.12987	2.5
201.16399	3.6
219.17427	31.1
239.17960	3.5
257.18997	8.6
275.17160	5.4
275.20053	86.4
293.21173	7.3
327.43073	2.5
345.55902	2.6
609.35992	3.1
609.45087	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05502	1.3
62.58503	0.2
67.05492	2.9
69.07073	1.7
70.05012	1.0
70.05434	0.4
79.05489	2.5
81.07054	2.7
83.04984	0.3
83.08603	0.5
86.20918	0.2
91.05460	2.4
93.07044	2.7
95.04951	1.1
95.08603	2.4
97.06517	1.0
97.10173	0.4
105.07014	2.3
107.04916	0.6
107.08553	1.3
109.06529	0.3
109.10172	1.1
114.15160	0.3
117.07020	1.0
119.08578	1.6
121.06485	0.3
121.10139	0.9
123.11720	0.4
125.09676	0.3
129.06956	0.7
131.08557	1.3
133.10110	1.0
135.11684	0.4
135.99466	0.2
143.08583	0.6
145.10100	1.4
147.11688	0.6
149.09630	0.6
149.13225	0.5
155.08524	0.6
157.10127	0.9
159.11694	0.8
163.11166	0.5
167.08504	0.3
169.10081	0.6
171.11722	0.6
173.13274	0.6
179.14331	0.4
181.10201	0.3
183.11691	0.6
185.13292	0.4
195.11685	0.3
197.13283	0.5
209.10805	0.4
209.13347	0.3
211.14655	0.2
223.12247	0.4
225.14023	0.3
227.17812	0.3
237.13748	0.4
239.15477	0.4
251.15419	0.4
251.17885	0.2
257.19037	0.5
275.20135	1.7
293.21042	0.3
300.14908	0.3
340.18170	0.3
375.16400	0.3
376.16977	0.5
377.17679	0.8
378.18686	0.7
388.17642	0.3
389.18393	1.0
390.18610	0.9
391.19046	2.0
392.19989	1.3
393.20724	0.5
399.15848	0.4
400.16946	0.5
401.17731	0.8
402.18787	0.4
403.19363	0.8
404.20651	1.0
405.16476	0.3
405.20831	3.3
406.21646	1.5
407.22220	2.8
413.17899	0.6
414.18433	0.6
415.19153	1.8
416.20459	0.5
417.16345	0.4
417.21243	0.5
418.21878	0.5
419.18436	1.0
419.23334	1.1
420.23129	0.7
421.23938	3.5
422.24457	0.6
427.19366	0.7
428.19919	0.4
429.20996	1.9
430.21875	0.8
431.18707	0.9
431.23340	0.4
432.19406	0.8
433.20319	1.6
433.24719	0.5
434.20612	0.3
437.19568	0.3
442.21555	0.4
443.22522	0.7
444.23199	0.9
445.20575	1.4
446.21136	0.8
447.17429	2.3
449.23358	0.9
452.22095	0.8
456.18832	0.3
457.24350	1.2
459.22046	1.7
460.22598	1.1
461.19058	5.0
462.20197	2.3
463.20825	1.4
465.22586	0.3
470.21219	0.4
471.18164	0.4
472.22662	0.8
473.18973	1.1
474.20660	1.1
475.21042	7.5
476.21738	6.0
476.27481	0.3
477.22394	4.7
478.23511	0.9
479.24329	0.6
484.18875	0.4
485.23593	6.8
486.20151	2.0
487.21097	0.9
487.25586	0.3
488.22510	1.3
489.22873	4.7
493.22607	1.0
494.26965	0.6
497.23364	0.4
499.21188	3.9
500.21881	1.5
502.23489	0.5
503.24533	6.1
504.24597	0.8
505.21899	0.7
507.24243	1.1
513.22742	1.2
515.24408	5.0
517.22174	1.7
517.40179	0.5
518.23224	0.6
521.26062	2.7
531.23871	8.6
532.24316	0.4
533.25201	0.6
534.22729	0.4
535.23499	0.7
535.41254	0.3
541.22961	0.4
548.23962	0.4
549.24689	2.7
550.25739	4.0
551.26074	0.3
559.23279	5.2
563.26434	1.3
577.24426	1.8
591.25934	13.0
591.44519	0.5
592.26593	0.4
609.26996	100.0
609.44702	5.8
610.27435	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	609.1806
Annotation	CHEBI:68350
Peak:m/z	Relative Intensity
57.03455	0.6
57.96216	0.2
61.02951	0.5
71.04993	2.6
71.15816	0.5
76.98814	0.3
85.02892	3.5
93.03400	0.3
97.02914	0.7
121.02904	0.7
123.04427	0.5
129.05481	0.7
137.02316	11.7
149.02322	2.3
151.03862	0.3
153.05450	0.5
163.03932	0.4
164.04686	1.1
184.05217	0.3
185.05948	0.3
187.03894	0.3
189.05493	0.8
201.05486	0.3
202.06161	0.3
212.04622	4.3
213.05406	1.3
215.03386	1.8
222.24710	0.2
223.03932	0.3
227.06958	0.5
229.04965	0.9
230.05762	1.4
240.04153	3.6
241.04945	1.0
244.03743	0.4
255.06453	2.9
257.04413	6.0
258.05127	2.9
259.09671	0.4
267.02798	0.6
268.03622	2.6
269.04398	2.8
272.06842	0.4
283.05942	4.1
285.03906	28.0
286.04657	7.6
287.09332	0.4
300.06247	16.2
301.07025	61.6
302.07370	2.2
315.08572	100.0
316.08926	2.9
463.12320	0.9
477.13599	0.7
576.97662	0.3
609.17938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1805
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.01836	0.2
57.03429	0.9
61.02923	0.9
69.50434	1.7
70.06577	0.2
71.04617	0.3
71.04982	4.1
72.34483	0.2
73.02899	0.3
75.04462	0.2
79.82773	0.2
81.03416	0.3
83.04950	0.2
85.02393	0.4
85.02892	5.6
91.03930	0.4
92.02605	0.5
92.82780	0.2
93.03382	0.7
97.02862	0.8
121.02876	1.1
123.04404	0.5
127.03906	0.4
129.05464	0.9
137.01308	0.4
137.02316	6.0
137.05934	0.2
147.06473	0.2
149.02290	0.4
151.03891	0.4
157.06471	0.3
163.03899	0.3
177.05423	0.5
185.05939	0.4
187.03807	0.4
201.05437	0.5
202.06268	0.4
203.03456	0.2
206.55009	0.2
212.04675	0.7
213.05418	1.8
215.03340	0.2
227.06912	0.2
229.04901	0.9
230.05710	2.6
241.04935	1.8
244.03754	0.4
254.05766	0.2
255.06450	0.3
257.04471	1.0
258.05209	4.6
258.82217	0.2
268.03632	0.6
269.04391	3.0
270.04999	0.3
285.03745	0.3
286.04669	14.1
287.05243	0.5
301.07016	100.0
302.07358	2.9
304.71979	0.2
315.04913	0.8
315.08563	2.2
337.57773	0.2
361.09125	0.5
457.05765	0.3
463.12405	1.3
577.09589	1.7
578.09973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1806
Annotation	5,7-Dihydroxy-3,6-dimethoxyflavone 5-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.11209	0.1
50.13842	0.1
59.16291	0.1
69.03413	0.2
70.20238	0.5
71.86210	0.1
79.39525	0.1
85.02873	0.2
97.02876	0.2
100.12715	0.1
112.74782	0.1
115.03957	0.2
122.03688	0.1
123.04442	0.3
131.04942	0.2
137.02271	0.2
137.05963	0.3
143.35204	0.1
145.02791	0.2
147.04343	0.2
148.05145	1.4
153.01817	1.2
170.02107	1.2
172.05232	0.1
178.02609	2.6
179.03357	0.3
183.02869	1.0
189.09111	0.1
197.05855	0.2
210.06734	0.1
213.05460	0.2
215.07022	0.2
219.10220	0.2
225.05548	0.1
226.06229	0.6
227.06976	0.3
228.07826	0.2
229.04959	0.3
241.04819	0.2
241.08716	0.2
242.05693	0.2
243.06525	0.3
244.07333	0.1
253.04919	5.0
254.05682	3.1
255.06412	0.3
256.07254	0.3
257.04419	0.5
258.05118	0.1
259.09668	1.5
268.03473	0.3
269.04453	0.8
269.07925	0.1
270.05328	0.3
271.05991	3.6
272.06607	0.3
281.04443	3.5
281.07529	0.1
282.05188	6.3
283.05869	1.3
284.06760	0.4
285.03922	1.5
285.07089	0.2
287.09348	0.1
299.05463	13.2
300.06210	3.4
301.06961	0.1
315.08575	100.0
316.08966	2.4
361.09195	0.2
366.49512	0.1
477.13702	0.2
577.09406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2698
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01858	0.4
55.05489	1.0
67.05501	2.9
69.07056	1.5
69.42268	1.1
69.42685	2.4
77.65847	0.3
79.05476	2.4
81.07053	2.6
83.08571	0.3
91.05478	1.8
93.07027	2.0
95.08580	2.2
97.10136	0.4
105.07056	2.2
107.08581	1.2
109.10176	0.9
109.55557	0.3
117.07008	0.8
119.08568	1.6
121.10110	0.8
129.06964	0.6
131.08580	1.4
133.10126	1.5
135.11685	0.5
143.08553	0.6
145.10101	1.6
147.11720	0.7
149.09663	0.3
157.10126	0.5
159.11662	0.7
161.13274	0.8
171.11661	0.7
173.13214	0.5
182.78683	0.3
183.11678	0.5
185.13185	0.3
195.09152	0.4
209.10919	0.4
218.17567	0.3
223.12231	0.4
237.13864	0.4
239.11615	0.3
251.15492	0.4
257.19037	1.0
275.20090	2.4
302.68918	0.3
308.52878	0.3
331.22589	0.4
335.25854	0.4
376.16730	0.8
377.17639	0.8
378.18860	0.5
389.18134	1.2
390.18497	1.4
391.19028	2.5
392.19955	1.8
393.20895	1.0
399.15985	0.6
400.16815	1.0
401.17801	0.8
403.19339	1.1
404.20438	1.6
405.20883	3.5
406.21393	1.8
407.22205	3.4
413.17590	1.0
414.18524	0.9
415.19125	2.4
416.20532	0.5
417.21045	0.9
419.18030	1.1
419.22458	1.5
420.23517	0.5
421.23801	5.1
422.24426	0.7
427.19315	0.8
428.20068	0.7
429.21051	3.3
430.21857	1.7
431.18567	1.3
431.23288	0.6
432.19467	0.8
433.20261	2.8
435.21768	0.8
442.21942	0.6
443.22635	0.9
444.23508	1.7
445.20221	1.1
446.21155	0.9
447.18143	2.3
447.23080	0.5
448.18631	0.7
449.23581	0.6
451.21237	0.4
452.22491	0.5
455.18994	0.5
457.24338	3.2
459.21973	3.1
460.23520	1.7
461.19064	5.7
462.20447	3.1
463.20804	1.7
465.22650	0.6
470.21371	0.5
471.17792	0.5
472.22491	1.2
473.19580	1.1
474.20767	1.3
475.20892	8.7
476.21741	6.6
477.22229	4.8
479.24252	0.6
484.19141	0.6
485.23560	8.0
486.20032	3.7
487.20850	0.6
487.25128	1.0
488.22064	1.2
489.22842	6.5
493.22079	0.8
494.26849	0.7
497.23358	0.6
499.21234	2.4
500.22153	1.9
501.22763	0.4
503.24408	5.2
504.25528	1.0
507.23825	1.0
513.22882	1.5
515.24371	8.0
517.22089	0.8
518.23071	0.4
521.26044	2.4
522.25488	0.5
531.23810	16.6
532.24487	0.9
533.25238	0.5
535.23395	0.9
541.22528	0.9
548.24084	0.5
549.24640	2.6
550.25720	3.8
559.23340	7.5
577.24451	1.4
591.25940	35.1
592.26007	2.2
609.26990	100.0
609.44702	5.0
610.27393	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	609.1801
Annotation	7-Methyltectorigenin 4'-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
57.09732	0.3
63.78199	0.3
64.73855	0.3
69.03406	0.3
70.06589	0.4
70.73107	0.8
81.07021	0.4
84.14660	0.3
85.02889	0.5
86.09698	0.3
89.54655	0.3
91.05456	0.5
93.07056	0.4
97.02869	1.0
105.03333	0.3
107.04955	0.3
123.04430	1.5
127.03889	0.4
133.02846	1.8
137.02330	0.4
137.05952	3.7
144.44060	0.3
145.02840	0.4
147.04367	0.5
148.05173	28.3
149.05664	0.4
153.01839	1.5
153.05443	0.6
163.03862	0.6
167.07004	0.6
170.02072	1.6
177.05447	0.6
178.06235	1.2
179.03357	0.9
179.06906	0.3
213.05531	0.5
219.10100	0.4
227.07074	0.3
229.05029	0.8
231.02817	0.3
241.04698	0.3
243.02908	0.8
257.04501	1.5
259.09583	1.2
268.03564	1.5
269.04324	0.8
270.05048	0.4
271.02347	1.0
271.05981	5.0
272.06696	0.3
275.05554	0.5
283.02832	0.4
283.05984	4.0
285.03897	1.9
285.07138	0.6
286.04712	0.5
287.09048	0.4
297.03995	0.4
298.04398	0.5
299.05524	1.7
300.03174	0.2
300.06219	6.6
301.07037	3.8
303.04965	1.0
312.06213	1.0
313.03232	0.7
315.08578	100.0
316.02081	0.4
316.08932	2.7
328.05710	0.8
329.06485	3.2
331.04407	4.1
331.08090	0.5
343.07892	0.5
345.09644	1.1
346.06760	3.3
361.09137	21.9
362.09460	1.1
577.09705	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	609.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.58900	0.5
63.23767	0.5
69.03415	1.4
70.06570	0.8
71.61893	0.7
79.05475	1.0
81.03409	0.6
84.08113	0.8
85.02886	1.3
86.06052	2.8
86.09692	0.7
87.04475	0.6
91.05466	0.6
97.02881	1.8
99.04440	0.6
101.24401	0.5
109.96488	0.5
115.03923	0.9
127.03905	0.9
133.04851	0.6
135.04387	2.3
137.02371	1.1
137.05917	0.7
140.31197	0.5
145.30013	0.5
147.04407	0.8
153.01790	1.9
160.05176	0.9
163.03891	2.1
171.04399	1.4
177.05463	0.6
185.05933	1.2
187.03883	1.3
188.04597	0.7
192.04234	0.6
200.04723	1.1
203.03401	1.7
205.04979	1.3
213.05435	1.0
216.04146	18.5
217.04965	0.9
223.02359	1.1
227.03368	10.5
228.04131	1.7
229.04939	3.5
231.06464	4.2
241.04941	0.8
243.06502	2.1
244.03644	11.7
244.06111	0.6
245.14902	1.4
246.15430	1.0
255.02861	18.7
256.03629	1.2
257.04404	1.4
259.06003	34.0
269.04477	0.7
283.02444	2.6
284.03128	21.5
284.06268	1.2
285.03812	1.6
287.05478	48.4
300.02634	7.5
301.03275	1.5
315.04950	100.0
316.05139	1.2
377.19266	0.8
447.12619	1.1
476.25690	0.9
477.10245	0.9
477.26202	1.6
507.84512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77758	0.4
55.01819	0.8
55.02074	0.5
55.05460	0.7
59.15748	0.4
65.03857	0.6
67.05450	0.9
68.99741	1.1
69.03369	0.7
70.06531	0.7
70.91084	1.0
70.91423	1.2
79.05450	1.0
81.03366	0.8
81.07011	0.8
85.02847	1.2
91.05415	1.2
93.06989	0.5
95.08532	0.7
97.02794	1.6
105.06981	0.6
107.04883	0.8
109.02759	0.8
110.11566	0.5
117.03318	0.6
119.04853	1.1
120.04403	0.9
127.03840	0.8
135.04308	1.7
137.02292	0.9
137.05891	0.8
138.05391	0.9
139.07544	0.5
145.02715	1.6
147.04305	1.9
148.05028	0.6
149.02357	2.9
149.05972	0.6
151.03815	0.8
151.07458	0.6
151.15652	0.5
153.01711	1.7
153.05396	1.0
163.03906	3.8
164.04652	3.7
165.01738	0.6
165.05464	1.2
166.99640	0.6
167.03247	1.1
167.06934	1.6
169.01242	2.0
171.04332	0.9
177.05452	4.8
178.06206	7.7
179.03265	1.3
179.07005	5.0
181.08488	1.4
182.02011	1.8
183.02872	9.9
185.00725	1.8
191.03262	0.9
191.06944	1.1
193.04800	1.2
199.03780	0.6
200.01054	0.5
200.03003	0.7
203.03287	0.6
203.06818	0.6
205.04869	2.0
212.04587	0.5
213.05298	0.5
215.03307	0.6
216.04088	0.9
226.02473	0.6
229.04991	1.0
239.03426	0.6
240.04117	0.8
241.04959	0.9
243.02771	1.4
244.03763	0.5
254.01962	0.7
255.02808	1.6
256.03659	0.6
257.04382	1.5
258.05020	1.2
259.06021	0.5
261.03812	1.3
268.03625	1.2
269.04416	1.0
271.02325	1.3
271.05945	1.5
275.05478	0.8
281.04297	0.6
282.05228	0.9
283.02206	1.3
284.02982	1.4
285.03802	3.4
285.06744	0.6
286.01834	0.5
286.04614	3.3
287.05353	0.7
295.02145	0.9
299.01862	1.4
299.05420	1.5
300.02536	1.7
300.06204	2.2
301.07077	2.6
303.04880	3.1
309.03595	0.8
310.01050	1.0
310.04422	0.6
311.01733	1.4
312.02570	1.4
313.03336	3.8
314.00858	0.6
314.04092	2.7
315.04871	7.9
315.08551	9.1
315.12454	0.9
316.02029	0.8
321.00299	0.5
323.01694	0.6
328.05597	2.7
329.03711	0.5
329.06573	4.7
330.07053	0.9
331.04315	15.3
333.09695	0.6
338.00571	0.7
339.01468	3.3
340.02097	0.9
344.08817	1.1
346.06720	14.5
348.99628	1.4
357.02396	0.6
359.11221	2.0
360.11423	1.7
361.09082	100.0
362.09329	1.4
366.00092	0.9
373.06799	0.8
389.06473	0.7
399.04788	1.1
401.06332	1.2
417.05951	0.8
429.06198	1.2
431.03909	0.6
445.05252	1.0
457.05618	1.6
459.10495	0.7
471.07141	0.8
472.07758	0.8
473.05365	1.5
475.05984	1.0
483.03055	0.5
485.04987	0.7
487.10138	1.5
488.07196	0.7
491.06064	0.9
501.04553	2.2
516.06689	1.5
517.06830	0.6
519.05469	8.7
529.03821	2.5
531.09021	1.6
534.07831	2.7
544.06360	2.1
547.04572	0.7
549.10132	11.7
550.10120	0.6
554.40521	0.5
559.08521	1.0
563.11511	1.3
577.09686	85.3
578.09967	2.4
609.12347	5.2
628.36932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01851	0.8
57.03432	0.7
61.02908	0.4
67.05504	0.2
68.99783	2.2
69.03422	5.4
71.01328	0.3
71.04971	0.5
71.59429	0.3
73.02907	0.8
79.05470	0.3
81.03406	4.7
81.07056	0.4
85.02900	5.8
87.00823	3.1
89.03881	0.4
91.05440	0.4
93.06991	0.4
97.02879	2.7
99.00807	0.7
99.04447	1.7
103.05444	0.3
105.01860	1.5
107.04926	0.6
109.02863	4.0
110.01514	0.3
112.01562	0.5
117.03368	0.9
121.06484	0.3
127.00267	0.6
127.03042	0.5
127.03908	5.7
129.01819	0.5
131.04961	0.4
135.04398	0.7
137.05927	0.4
137.06950	0.3
139.00278	0.9
143.37625	0.3
145.02847	2.5
145.04941	1.2
147.02768	0.3
147.04395	1.0
148.05106	0.6
149.02382	0.3
149.05960	0.7
150.03105	0.7
151.07538	0.6
153.05489	0.2
159.02866	1.6
161.05934	1.1
163.03886	1.9
163.07463	0.3
164.04662	0.8
165.05467	2.1
166.99777	0.9
167.07019	1.1
168.00520	4.1
169.01250	1.2
177.05444	4.7
178.06221	13.2
179.07018	2.7
180.07822	1.0
185.00789	4.8
186.01584	4.3
194.09386	1.8
195.02861	0.6
195.10175	0.5
205.04935	0.8
231.05013	0.5
232.03639	0.6
257.04514	0.4
260.03073	0.4
271.02301	0.6
271.05994	0.4
275.05338	0.5
283.06015	0.8
284.06808	0.3
285.03885	1.2
286.04694	0.3
295.06088	0.5
299.02036	0.4
299.05460	0.8
300.02560	0.4
300.06107	0.3
301.06927	0.5
303.04922	2.3
312.06296	0.3
313.03308	1.3
313.07004	1.6
315.04883	1.2
315.08609	1.9
316.02011	0.4
317.06512	0.3
328.05829	1.7
329.06537	1.0
330.07239	0.6
331.04440	16.6
332.04752	0.4
343.08200	0.3
344.08771	0.5
345.06039	0.4
346.06787	16.5
347.06897	0.4
360.08331	0.4
361.09125	100.0
362.09476	2.2
386.03842	0.3
523.14301	0.7
563.79602	0.3
577.09528	1.2
591.12213	0.5
609.14319	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40102	0.5
55.05494	0.9
58.41762	0.5
59.61358	0.5
61.60340	0.6
63.22282	0.5
65.03919	1.7
67.05496	2.6
68.99792	1.0
69.03418	0.7
69.07032	0.7
70.88013	1.4
75.31934	0.5
79.05476	1.3
81.03416	1.5
81.07036	1.7
84.08136	1.4
85.02898	1.2
85.06525	1.0
85.08472	0.6
91.05473	2.2
93.07044	1.2
95.04977	2.0
95.08577	1.1
97.02872	5.1
98.15788	0.5
99.04445	0.8
105.07008	0.8
107.04954	1.1
107.08558	1.0
108.02069	0.9
109.02885	0.9
109.10152	1.2
111.04443	0.6
117.03366	1.0
119.01319	0.9
119.04907	1.0
119.08566	0.7
121.02836	4.2
123.08092	0.7
124.03934	1.2
127.03873	1.5
135.00795	1.9
135.04401	1.3
136.01538	16.5
137.02339	1.3
137.05978	0.9
137.09563	0.9
139.03838	0.6
139.07506	0.7
145.02805	1.8
147.04378	2.7
149.02327	7.9
149.05995	1.9
151.03885	32.0
151.07550	1.2
153.05537	0.7
153.07036	0.6
154.02602	0.9
163.03886	2.0
165.01778	3.4
165.05411	0.8
167.07071	1.8
169.04959	1.1
177.05452	4.5
178.06192	3.7
179.03363	55.5
180.03706	0.7
191.03383	1.0
191.07088	3.0
193.04910	0.7
193.12057	0.7
195.06563	2.6
205.05016	1.8
215.06978	0.7
245.00792	0.9
253.05032	0.9
255.02940	1.1
267.06369	0.7
268.03571	0.6
271.05936	0.9
273.00156	1.3
275.02078	0.8
279.02951	0.7
281.04446	0.8
283.02866	0.6
283.05969	0.8
299.02161	0.7
299.05453	1.2
301.06940	1.0
309.03964	1.5
311.05399	0.6
312.06412	1.1
313.03616	0.7
313.06964	1.9
315.05112	1.6
315.08661	2.3
323.02054	0.8
323.05505	0.9
325.03467	1.0
325.07123	1.9
327.04980	0.7
332.07043	0.6
337.03333	0.9
339.04999	1.2
352.05414	0.8
353.06592	0.9
357.09747	0.7
358.04706	1.4
359.05438	1.1
361.09113	1.4
371.05365	1.4
373.06937	0.9
379.04593	1.2
382.07059	0.8
383.07254	0.9
384.06870	1.0
385.07413	0.8
386.04224	1.0
388.05954	0.6
389.02628	0.7
390.03693	0.7
399.04611	0.8
400.09671	1.4
401.06348	3.0
401.11945	0.7
405.05966	1.1
407.04041	1.1
411.04965	1.0
412.05951	1.2
415.08624	0.8
427.08798	1.2
429.05597	3.2
433.05356	2.9
435.03485	2.5
436.04138	1.2
439.04514	1.8
443.07892	1.1
444.08484	1.6
445.05386	0.7
450.05692	1.7
455.03827	0.7
457.05280	9.6
458.10306	0.9
459.10748	1.1
463.10651	3.4
465.08130	18.0
466.08887	3.6
469.09125	1.7
470.06500	0.8
471.07214	2.8
472.07996	1.8
475.10294	1.3
483.03079	0.9
485.04523	0.7
486.09201	1.1
487.10388	13.4
489.08154	2.7
499.06757	1.4
501.03967	0.9
503.09836	3.0
513.07947	1.4
514.08276	0.7
515.04999	3.2
516.06635	0.7
517.07617	2.3
519.06232	1.2
519.13049	5.4
529.11121	1.3
531.09131	18.8
532.09747	1.4
541.07526	0.9
543.05682	3.2
545.10815	3.8
547.04681	1.0
547.12378	10.3
548.12549	0.9
549.10260	4.2
558.07953	0.8
559.08691	13.9
563.11768	11.8
573.10065	2.7
576.09161	0.7
577.09747	14.8
578.10101	1.3
591.11261	100.0
592.11462	5.1
609.12274	3.9
609.21429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79159	1.4
53.03934	4.3
55.01868	8.6
55.05505	17.2
57.03440	2.1
57.07056	3.9
62.57663	1.6
65.03904	2.1
67.05497	37.1
68.53516	1.5
69.03419	1.5
69.07058	26.9
69.23469	1.4
71.59104	1.8
71.59485	1.7
72.91778	1.6
79.05477	31.5
81.03397	4.4
81.07050	38.7
82.39223	1.3
83.04987	3.6
83.08604	5.9
85.06574	1.7
91.05465	44.2
93.07034	30.5
95.01305	7.2
95.04954	9.0
95.08594	26.3
97.06508	9.1
97.10155	3.8
103.05459	2.6
105.07014	54.9
107.04945	13.3
107.08585	14.7
109.06555	2.2
109.10139	7.9
117.06991	15.8
119.08564	34.7
121.06486	2.3
121.10118	8.4
123.04446	2.0
123.08051	3.0
123.11665	2.2
125.09628	2.3
126.21244	1.5
128.06177	2.2
129.07001	8.4
131.08545	20.1
133.10110	28.3
135.08035	2.0
135.11682	6.4
137.09599	2.3
141.06927	1.9
143.08525	8.1
145.06566	2.0
145.10112	18.6
147.11653	14.5
149.09630	3.4
149.13254	2.6
155.08606	4.9
157.10123	8.0
159.11702	13.5
161.13246	5.5
163.11212	2.1
167.08595	3.6
169.10121	6.0
171.11697	7.8
173.13275	6.0
177.12798	5.6
179.14261	7.9
181.10172	4.5
183.11676	3.8
185.13263	4.3
195.11708	3.5
197.13255	4.5
199.14871	2.7
202.83298	1.5
209.13306	2.7
211.14722	3.0
213.16330	1.8
217.19554	2.0
221.13289	1.6
223.08672	2.1
223.12398	3.2
223.14728	2.0
225.10188	2.8
225.13925	2.8
226.14604	2.5
235.12357	1.8
237.13918	1.8
239.18071	2.3
241.19525	6.1
249.10497	1.9
249.16496	1.9
250.19978	1.5
251.08099	3.4
257.19089	4.5
259.20551	7.4
265.13306	2.0
275.20032	43.0
283.75623	1.7
293.21075	2.8
315.23065	11.6
335.15326	2.0
338.13165	1.9
349.23856	4.8
389.17868	3.4
390.18085	2.1
391.19058	2.2
401.17841	1.5
403.19199	6.5
405.20908	3.5
416.16196	1.8
417.17084	5.7
417.21613	2.3
418.17230	1.8
419.22299	6.5
420.22839	2.4
429.17123	2.1
430.17957	2.0
431.18448	9.9
432.19290	5.7
433.19879	7.0
445.20331	5.9
446.21051	9.5
447.21741	24.0
448.22430	4.3
459.17377	2.3
459.22626	2.4
461.19128	2.1
474.20407	10.7
475.21271	28.7
476.22009	3.2
487.21295	4.6
491.20862	2.3
501.22461	2.5
515.39020	2.2
519.23853	11.0
520.24866	2.2
533.21802	2.5
535.23291	10.3
547.23297	59.4
548.23889	11.8
549.25061	3.4
551.41461	3.3
575.22626	2.7
579.26288	4.0
589.41888	1.7
607.25494	100.0
607.43213	57.4
608.26086	87.0
608.42126	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01854	3.6
55.05500	18.0
57.03417	4.4
57.07057	1.9
59.05014	1.6
65.03925	2.3
67.05495	45.8
68.05837	1.4
69.03410	4.9
69.07057	20.7
71.04980	3.6
71.60547	2.0
77.03930	1.5
79.05482	34.0
81.03403	12.6
81.07043	43.8
83.04983	6.8
83.08610	10.5
85.02895	3.4
85.06524	3.5
91.04931	2.4
91.05466	28.8
93.07029	29.2
95.04951	5.9
95.08596	30.7
97.02866	3.3
97.06512	6.8
97.10155	5.3
103.05495	1.4
105.07018	24.5
107.04948	5.2
107.08578	19.4
109.02888	2.3
109.06509	3.7
109.10145	12.7
111.04436	1.4
111.08070	2.1
113.56610	1.5
115.05450	1.6
117.07011	14.0
119.08559	19.2
121.10104	11.6
123.08023	2.3
123.11683	5.2
125.09605	3.9
127.03929	2.4
127.41807	1.2
128.06195	4.5
129.07005	12.9
131.08553	17.6
133.10109	16.2
135.08083	2.4
135.11670	8.2
136.06169	3.4
137.09547	1.9
137.13211	2.3
137.24716	1.2
139.11154	1.8
141.06989	7.4
142.07732	2.2
143.08545	13.3
145.10101	14.2
147.08052	2.6
147.11676	9.2
149.13171	6.4
151.11162	1.5
153.06993	2.5
154.07730	2.4
155.08524	14.2
157.10132	14.1
158.24486	1.4
159.11656	12.1
161.13255	1.4
163.11166	2.0
165.07008	2.3
166.07768	2.8
167.07274	2.0
167.08516	10.0
168.09286	2.2
169.10097	16.3
171.11684	10.1
173.09608	1.8
173.13249	7.9
175.14885	1.8
177.12732	2.0
179.08609	6.8
180.09245	1.6
181.10062	14.2
183.11636	16.0
183.12915	1.4
185.13200	8.0
187.14851	2.7
193.10173	8.5
193.11852	1.6
194.10831	2.3
195.11681	11.6
195.13748	2.7
197.13220	11.3
199.14822	4.4
205.10168	2.5
206.10875	1.5
207.11682	7.9
208.12405	1.4
209.13252	9.3
210.13939	1.6
211.14853	6.0
213.16479	2.4
219.11693	3.0
221.13203	5.5
223.14871	10.3
225.16370	3.7
233.13313	2.3
235.14828	5.2
237.16348	5.3
239.17953	4.1
243.21089	1.4
249.16367	2.7
251.17944	3.9
257.18875	2.8
263.17847	2.9
265.19391	2.6
275.20035	6.1
305.22510	1.8
313.21579	1.6
315.04987	3.6
325.21753	1.9
335.23782	3.1
339.18158	2.5
346.09961	1.8
363.26886	3.3
395.20581	2.1
403.29688	1.8
419.28772	1.5
421.31393	2.3
437.30420	1.5
445.30838	3.0
463.30603	2.7
497.37927	1.8
515.38776	14.2
533.39746	8.8
551.41077	7.8
568.57202	1.7
589.24750	3.1
589.42377	8.2
607.21228	4.3
607.34576	12.9
607.43433	100.0
608.43793	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	609.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18854	0.6
52.36318	0.6
56.85795	0.6
61.88554	0.5
71.04979	0.9
71.05329	1.2
79.99705	0.5
91.05462	0.6
94.16521	0.5
107.04942	1.3
123.65798	0.5
135.04465	0.6
137.05959	0.6
138.06371	0.9
147.04387	0.7
149.05948	0.9
151.07545	1.2
153.05429	0.7
161.05977	0.8
163.03911	2.2
164.18121	0.5
167.03505	0.8
167.07037	2.0
168.07660	0.7
175.03885	0.9
177.05478	2.0
178.06259	5.1
179.06805	1.5
191.03297	0.6
191.07039	1.2
193.04964	0.7
194.09467	0.8
194.78549	0.6
195.06509	1.0
205.04877	3.2
230.05658	0.7
231.03137	0.6
231.06116	0.9
232.06389	0.8
241.05020	0.8
242.05785	0.6
253.04877	0.6
267.03140	0.6
268.03766	0.9
269.04489	2.8
270.04913	2.2
271.04993	1.3
273.07605	0.9
274.07928	0.6
275.07916	0.7
277.72559	0.6
278.38599	0.6
283.02362	0.7
283.06064	1.2
284.06531	0.7
286.04837	0.7
297.04037	1.7
298.04517	1.2
301.07144	4.3
302.07425	3.1
303.07681	4.1
311.05612	0.8
312.06241	1.7
313.06567	0.9
314.04214	1.6
315.04376	1.1
316.04681	1.0
326.07785	0.9
328.08749	1.1
329.06537	16.0
330.06873	13.2
331.07071	18.8
344.08813	6.2
345.09320	5.9
346.09415	7.4
358.04581	0.8
359.11221	33.4
360.11530	33.3
361.11783	54.1
371.05258	0.8
373.07086	1.2
375.04654	0.7
383.05591	1.3
385.07193	0.8
387.04565	0.8
389.06647	0.9
393.05856	0.6
399.04797	1.0
400.06067	0.6
401.06525	2.1
403.04172	0.7
410.88971	0.6
411.04807	0.8
417.06027	1.5
427.04404	1.6
429.05920	3.4
431.03751	1.2
439.04517	2.2
444.08191	0.9
445.05154	1.5
454.06689	0.8
455.03339	3.3
457.05402	8.6
466.09125	1.7
470.06348	0.7
471.06909	1.6
472.07806	1.0
473.04810	1.0
475.10196	1.3
483.03128	4.0
485.04678	1.0
487.10345	9.0
488.07635	0.9
489.08289	0.8
499.06680	1.1
501.04236	4.4
503.09335	1.8
511.02942	1.8
513.08344	3.3
516.07123	2.7
519.08905	2.0
529.04480	0.8
531.09113	5.9
541.07678	1.5
544.05792	0.8
549.10205	9.2
550.11365	0.7
559.08655	5.9
563.11737	2.5
577.09705	100.0
578.09900	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	607.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
52.99643	0.6
53.03929	2.5
54.43933	0.7
55.01868	4.1
55.05502	18.0
57.03434	4.4
57.07055	2.5
57.07314	0.7
65.03941	1.9
67.05495	32.4
69.03425	1.4
69.07056	16.8
69.38720	7.5
71.04967	2.0
79.05484	22.3
81.03417	1.3
81.07046	28.5
83.04970	2.3
83.08606	8.5
85.06525	1.9
91.05471	24.3
91.06048	1.2
93.07034	20.5
95.04971	3.3
95.08006	1.6
95.08591	21.4
97.06514	3.6
97.10146	3.4
99.08104	0.9
103.05395	0.7
105.04516	1.1
105.07017	21.5
105.07727	1.1
107.04959	1.8
107.08587	12.7
109.06544	1.7
109.10138	8.5
111.08062	1.2
115.05418	1.5
116.06222	1.1
117.07000	10.8
119.08566	16.7
121.06490	0.9
121.10134	8.4
123.08038	1.9
123.11700	2.2
125.09644	1.8
128.06212	3.5
129.06992	11.9
130.07753	1.0
131.08539	13.8
133.10114	12.1
133.21996	0.8
135.11699	4.6
137.09673	1.0
141.06964	6.5
142.07739	4.5
143.08540	12.9
144.09375	1.1
145.10103	15.2
147.08044	0.7
147.11649	5.1
149.09610	1.7
149.13266	2.1
153.07034	2.0
154.07774	3.0
155.08524	15.1
156.09273	2.4
157.10115	11.2
159.08000	1.2
159.11668	8.3
161.12059	0.7
161.13187	3.8
163.11229	1.0
165.06958	4.1
166.07796	2.6
167.08537	10.1
168.09349	2.9
169.10114	17.4
170.10835	1.5
171.08115	0.9
171.11641	9.9
172.12253	0.8
173.09515	0.8
173.13237	5.4
175.14822	1.6
178.07758	2.1
179.08521	5.3
180.09355	2.5
181.10091	14.0
182.10898	2.3
183.11659	14.0
184.12296	1.0
185.13232	7.0
187.11220	1.0
187.14813	2.7
191.08554	1.7
192.09290	1.9
193.10095	8.8
194.10844	2.0
195.11665	15.8
195.13327	1.3
196.12332	1.7
197.13214	11.1
199.11200	0.7
199.13225	1.1
199.14868	4.0
201.16405	1.4
205.10112	2.7
206.10860	2.0
207.11644	7.8
208.12538	1.5
209.13226	11.0
210.13968	1.1
211.14755	7.3
211.16293	0.6
213.14648	1.0
213.16438	2.2
215.18051	0.9
217.10229	0.9
219.11731	3.0
219.17430	0.7
220.12582	1.3
221.13234	7.4
222.14087	1.2
223.14787	9.0
223.16621	0.9
225.16370	3.4
227.18056	1.2
231.11722	1.1
231.17297	0.9
231.83621	0.7
232.12387	0.8
233.13205	3.5
234.14117	0.9
235.14812	5.8
237.16309	5.6
239.17955	2.9
241.19728	1.1
245.13303	1.0
247.14877	2.5
249.16412	4.3
251.17973	3.3
253.19481	0.9
257.19202	1.6
259.20587	1.0
261.16406	1.9
263.17960	2.4
265.15656	0.8
265.19595	3.1
267.21060	0.9
273.16284	1.0
275.20282	3.5
277.19421	1.3
279.21158	1.0
289.19412	1.4
291.21094	1.1
295.17221	0.9
295.20624	1.0
307.20599	1.9
309.22394	0.9
315.23370	1.1
319.20599	1.2
321.22171	2.1
327.23212	0.8
335.23804	2.1
337.25394	1.1
343.61215	0.8
345.21887	0.9
347.23706	0.9
349.25211	1.5
352.23395	0.9
353.24847	1.0
361.25287	1.1
363.26865	2.1
377.28586	1.0
379.26239	1.0
381.27856	1.1
391.30307	1.1
403.30011	1.2
405.27560	1.2
421.31143	1.8
433.30902	1.2
445.30936	2.0
447.32739	1.1
459.31909	1.0
481.33206	0.9
497.38007	1.3
515.38824	12.5
516.39343	1.6
533.39960	8.3
534.40515	1.1
537.35663	1.9
538.36493	1.5
551.41150	3.8
571.41284	2.0
589.42249	7.6
590.00000	0.8
607.43567	100.0
608.43921	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	607.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03933	3.8
55.01862	3.3
55.05507	19.1
57.03426	4.6
57.07051	2.6
59.04965	0.8
63.98072	0.7
65.03924	3.0
67.05496	44.0
69.03415	3.6
69.07059	18.8
69.57014	5.9
71.04974	3.2
77.03910	1.1
77.83240	0.9
79.05484	29.8
79.12405	0.7
81.03412	10.8
81.07046	40.2
83.04980	4.5
83.08613	10.2
84.02006	0.7
85.02898	1.3
85.06505	1.8
91.05470	26.7
93.07034	31.5
95.04967	4.5
95.08002	1.8
95.08594	28.8
97.02899	1.4
97.06519	5.6
97.10145	4.3
99.08085	1.0
103.05476	1.4
105.07016	24.9
107.04946	2.7
107.08581	20.0
108.02871	0.7
109.02871	2.2
109.06499	3.7
109.10136	11.2
110.94270	1.0
111.04461	1.2
111.08059	2.2
115.05421	1.7
116.82014	0.8
117.07008	14.6
119.08563	19.1
119.09411	1.1
120.08944	0.8
121.06507	2.6
121.10141	11.0
123.08064	2.1
123.11697	3.4
125.09602	2.0
128.06206	5.1
129.05475	1.0
129.06990	12.4
130.07756	1.2
131.08556	16.4
133.10109	14.9
133.10991	0.5
135.08000	2.5
135.11687	6.0
137.09593	1.6
139.11140	1.1
141.06955	6.6
142.07784	4.0
143.08546	14.9
144.09276	1.0
145.06470	1.3
145.10101	14.8
147.08002	1.5
147.11665	8.9
149.09575	2.2
149.13257	6.0
153.06995	2.5
153.12703	1.0
154.07753	2.4
155.08542	14.9
156.09250	1.3
157.10112	14.7
159.08066	0.9
159.11673	9.8
161.09596	1.3
161.13245	3.1
163.11180	2.1
163.14752	0.9
165.07010	3.0
165.12769	1.1
166.07770	2.6
167.08545	10.1
168.09299	2.1
169.10117	16.1
171.08015	0.8
171.11673	11.3
173.09557	1.2
173.13239	6.0
175.11211	1.0
175.14777	2.0
177.12798	2.1
178.07707	1.3
179.08519	6.9
180.09355	2.3
181.10088	14.1
182.10805	2.4
183.11679	16.1
185.09645	1.2
185.13248	8.4
187.11188	1.4
187.14830	2.9
189.12660	0.8
191.08585	1.8
192.09325	2.1
193.10068	6.6
194.10841	2.3
195.11699	14.3
195.13759	2.5
196.12437	1.1
197.13248	10.4
199.14810	4.8
201.16412	2.6
205.10123	3.5
206.10878	1.1
207.11612	7.1
208.12422	1.3
209.13242	12.2
210.13962	1.2
211.11258	1.1
211.14786	8.4
213.12723	0.8
213.16423	2.5
219.11664	3.2
219.17505	0.8
220.12450	1.4
221.13206	7.9
222.13875	1.0
223.14801	8.7
225.16298	5.3
233.13162	2.3
235.14806	4.6
236.15318	1.2
237.16371	6.0
239.17981	3.9
245.18948	1.0
247.14795	1.7
249.16356	2.9
251.17929	3.2
253.19554	1.9
255.17386	0.8
259.14761	1.0
259.20593	1.3
261.16553	1.2
263.18015	2.6
265.19543	2.4
267.15747	1.0
267.21167	1.3
275.20142	4.6
277.19522	2.9
279.20673	0.9
291.21014	1.0
293.18970	0.8
293.22412	0.8
295.20566	1.0
305.22681	1.3
315.23254	1.3
319.20459	1.2
321.22137	2.6
323.23672	1.8
325.21582	0.9
325.25186	1.0
333.22092	1.5
335.23495	1.7
337.25244	1.2
339.17953	1.6
339.23053	1.5
349.25156	1.6
351.23013	1.2
353.24869	1.0
359.23227	0.9
363.22693	1.0
363.26871	2.1
365.24445	1.1
365.28494	1.5
371.25931	1.0
375.26877	1.2
376.91263	0.8
379.26291	1.1
381.27792	1.1
395.20474	1.0
403.29968	1.4
405.27853	1.2
407.29251	1.4
419.29480	0.9
421.30954	1.5
427.28894	0.9
435.32513	1.0
441.21182	1.0
445.30356	2.9
447.32504	1.0
459.31793	0.9
463.30704	1.7
487.39258	0.9
497.38348	1.3
515.38812	13.0
516.39459	1.0
533.39728	9.6
534.40497	0.8
537.35602	2.2
538.36224	1.4
551.41193	5.7
571.41235	1.3
589.42383	10.0
590.43811	0.9
607.34668	8.8
607.43463	100.0
608.34991	1.6
608.43805	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	607.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
53.99825	0.5
55.01867	3.5
55.05239	0.9
55.05505	17.2
56.48418	0.6
57.03431	3.9
57.07072	1.5
65.03925	2.0
67.05498	35.5
69.02608	0.5
69.03080	0.6
69.03408	3.2
69.07058	17.3
71.04964	1.9
79.05487	22.2
80.05812	1.0
81.03404	7.7
81.07047	37.1
83.04965	4.3
83.08611	8.3
84.07884	0.6
85.02911	1.2
85.06554	1.7
91.05466	23.9
92.05839	0.6
93.07030	26.2
95.04967	4.2
95.08596	22.6
97.02898	1.8
97.06522	4.9
97.10161	4.9
97.78364	0.6
99.08076	1.0
99.96795	0.6
100.90755	0.7
103.05453	1.0
105.07015	21.6
107.04922	1.5
107.08575	14.9
109.02845	1.9
109.06519	2.0
109.10141	9.7
111.08068	2.2
115.05457	1.5
117.07011	11.4
119.08562	16.9
121.06532	0.7
121.10116	9.4
123.08082	1.5
123.11703	3.3
125.09638	2.8
127.03902	1.3
128.06209	2.2
129.06999	10.3
130.07785	1.1
131.08548	14.5
133.06523	0.8
133.10115	12.3
135.08029	1.2
135.11682	5.5
137.09578	1.8
137.13297	0.9
139.11127	0.8
141.06950	6.1
142.07756	3.3
143.08556	12.7
145.06512	0.8
145.10100	12.6
147.11661	7.7
149.09593	1.9
149.13237	5.1
151.11154	1.2
153.06996	2.3
154.07750	1.7
154.49889	0.7
155.08528	12.3
156.09329	1.9
157.10106	12.1
159.11674	9.6
161.09537	0.8
161.13191	3.4
163.11140	1.1
163.14845	1.1
165.06963	3.5
166.07788	1.7
167.08524	8.5
168.09315	2.5
169.10123	14.2
170.10611	1.6
171.07983	1.0
171.11681	10.1
173.09621	1.1
173.13240	5.5
175.14876	1.4
177.12737	1.9
178.07782	1.6
179.08565	4.8
179.14233	1.0
180.09300	2.0
181.10103	10.4
182.10875	1.1
183.11662	12.2
183.13153	1.0
185.09604	0.7
185.13184	6.9
187.13286	0.8
187.14799	2.4
191.08588	1.9
191.14345	0.7
192.09276	1.2
193.10112	6.6
194.10901	1.6
195.11699	12.2
195.13782	2.0
196.12317	1.8
197.13234	9.0
198.13708	0.8
199.14778	4.5
201.12787	0.7
201.16383	1.4
203.08606	1.0
205.10071	2.0
206.10909	1.2
207.11697	7.7
208.12494	1.2
209.13229	9.7
210.13850	1.3
211.14804	6.0
213.16478	3.0
215.14502	0.9
219.11668	2.6
220.12520	1.1
221.13220	7.1
222.13940	1.0
223.14810	8.0
225.16360	4.7
227.18077	0.9
232.82700	0.7
233.13176	3.1
235.14781	5.4
236.15565	1.1
237.16371	4.7
239.18040	3.4
241.15694	0.9
241.19823	1.3
245.13290	1.3
245.18808	0.7
247.14774	2.2
249.16420	3.9
250.17014	0.7
251.18021	4.2
253.19537	1.3
255.17264	1.0
257.19080	1.5
259.20700	1.6
261.16458	2.0
263.17944	3.1
265.19470	1.0
269.17227	1.6
273.18607	0.6
275.17606	0.8
275.20203	3.7
277.19437	1.0
279.21109	1.4
291.20648	0.9
295.20398	0.8
297.18558	0.8
299.20285	1.1
307.20529	1.7
309.22156	1.3
311.23480	0.9
315.23242	1.1
321.21945	1.9
323.23764	1.4
325.21738	1.1
325.25043	0.9
327.23315	0.6
333.22125	1.2
335.23685	1.9
337.21481	1.1
339.18069	1.0
339.23312	0.9
347.23703	1.5
349.24982	2.3
353.24619	0.9
361.25250	1.6
363.26837	1.8
365.24539	0.9
367.26447	1.2
375.26889	1.0
377.19366	0.7
377.28299	1.8
379.26230	0.8
381.27963	0.8
389.28760	1.3
391.30353	0.8
393.28253	1.1
395.20657	1.5
407.29437	1.3
419.28879	1.1
421.30838	1.1
433.30862	1.3
435.32596	0.8
445.30362	1.5
447.32745	1.4
459.32291	1.3
463.30820	1.6
497.37817	1.3
515.38904	10.5
516.39148	1.5
533.39880	7.4
537.35602	2.1
538.36487	1.7
551.41382	3.6
563.40411	0.7
571.41345	1.2
589.42432	8.3
598.12769	0.7
607.34857	7.0
607.43469	100.0
608.35083	1.4
608.43896	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	607.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
53.69537	0.7
55.01859	2.6
55.05503	16.2
56.62732	0.7
57.03431	3.7
57.07075	1.9
65.03924	1.4
67.05490	29.5
69.03437	0.8
69.07058	13.6
71.04969	1.4
73.97772	0.6
79.05480	21.1
81.03416	1.9
81.07044	24.9
83.04966	2.0
83.08606	8.3
85.06533	2.2
85.07003	0.7
91.05465	20.4
93.07034	21.4
95.04958	3.3
95.08594	19.1
97.06517	3.9
97.10159	4.7
97.10720	0.7
99.08098	0.9
103.05494	0.9
105.07009	19.7
107.04933	1.5
107.07866	0.5
107.08566	14.7
109.06510	1.5
109.10129	9.3
111.08070	1.7
115.05464	1.4
117.07001	10.3
119.08562	14.8
121.10125	6.8
123.08053	1.1
123.11704	2.4
125.09579	1.3
128.06244	3.2
129.06992	8.7
131.08540	14.4
133.10109	10.9
135.08046	1.4
135.11739	4.2
137.09625	0.9
141.06960	5.9
142.07768	3.4
143.08530	11.9
144.09288	1.0
145.06517	1.2
145.10098	12.4
146.10480	0.8
147.11655	6.8
149.13245	2.0
153.07001	2.5
154.07820	1.9
155.08528	12.3
156.09329	1.7
157.10100	13.1
159.11670	7.6
161.13269	3.4
163.11191	1.1
163.14804	0.9
164.55191	0.9
165.07004	4.7
166.07773	2.2
167.08527	9.6
168.09297	1.7
169.10092	15.6
170.10765	1.0
171.11638	8.8
172.12204	1.0
173.13191	5.0
178.07776	1.2
179.08488	5.4
180.09331	1.6
181.10081	11.8
182.10901	2.6
183.11659	14.0
185.13257	6.6
187.14822	2.8
189.16263	1.0
191.08556	1.6
192.09300	1.5
193.10115	6.9
194.10812	1.8
195.11667	14.0
196.12314	1.5
197.13217	9.9
199.13191	1.2
199.14870	3.4
201.16397	1.7
204.09238	1.0
205.10146	2.3
206.10811	1.5
207.11696	6.4
208.12392	1.8
209.13211	11.5
210.13658	0.8
211.14774	6.9
213.16435	2.6
219.11713	3.0
220.12495	1.2
221.13249	6.6
221.15205	1.1
222.13850	1.0
223.14775	8.5
225.16446	4.3
229.90776	0.9
231.11792	1.0
233.13261	2.6
234.13869	1.0
235.14735	5.6
237.16393	4.8
239.17957	3.2
241.19609	1.1
245.13202	1.0
247.14781	1.4
249.16284	4.1
251.17868	4.0
253.19595	1.4
255.17484	0.9
259.20557	1.3
261.16309	1.3
263.18015	2.6
265.19577	2.7
266.76727	0.9
275.20242	4.6
277.19519	1.5
289.19293	1.2
291.20911	0.9
295.20383	1.0
303.20978	1.0
305.22717	1.6
309.22232	0.9
313.21585	0.9
315.23132	1.2
319.20685	0.9
321.22357	1.2
335.23676	1.7
337.25000	1.3
339.23132	1.1
347.23798	1.1
349.25116	2.4
355.26178	1.1
363.26886	2.3
365.24466	1.1
365.28485	1.6
367.26126	1.3
375.26584	1.1
377.28601	1.5
389.28436	1.3
391.30133	2.0
393.27875	1.1
421.30994	1.8
445.31110	2.5
447.32663	2.0
459.32758	1.2
481.33337	1.1
497.37967	1.8
515.38770	9.2
519.35132	0.8
533.39850	8.9
537.35809	2.0
538.36572	1.7
551.41095	3.8
571.41455	2.0
589.42334	8.1
607.26788	2.4
607.43463	100.0
608.27051	1.4
608.43884	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	607.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01862	4.7
55.05507	18.6
57.03429	3.7
57.07059	1.8
63.09290	0.9
63.10315	1.1
64.50261	1.2
65.03938	2.9
67.05498	35.6
69.03441	1.4
69.07059	19.6
71.05000	1.0
71.58939	1.4
79.05490	25.2
81.03419	2.3
81.07046	36.1
83.04989	2.3
83.08602	8.4
83.12093	1.0
85.06526	1.6
86.77425	1.0
91.05466	36.8
93.07034	28.5
95.01299	1.4
95.04951	6.2
95.08592	26.0
95.09211	1.3
96.54107	0.9
97.06512	7.6
97.10178	2.1
99.08107	1.5
103.05429	1.4
105.07014	41.1
107.04912	5.4
107.08574	14.7
109.06472	2.8
109.10143	11.1
109.90793	1.0
111.08086	2.3
112.40791	1.0
115.05418	2.3
117.07010	14.7
119.08568	28.2
121.06519	1.5
121.10123	9.5
123.08054	1.4
123.11728	1.6
125.09586	2.1
128.06241	3.5
129.06987	9.9
131.08557	19.0
131.09468	1.4
133.10107	22.0
133.11038	1.7
135.07986	1.3
135.11694	7.0
139.11197	1.2
141.06937	5.3
142.07762	3.0
143.08565	12.3
145.10089	20.3
147.11656	11.5
149.09590	1.9
149.13263	2.0
151.11198	1.5
153.06992	1.9
154.07718	1.5
155.08528	10.3
156.09245	1.1
157.10114	11.6
159.11682	15.3
161.09772	1.2
161.13252	5.3
163.11179	2.4
165.07007	2.8
166.07802	1.7
167.08540	6.5
168.09312	2.5
169.10095	12.4
170.10735	1.2
171.11676	9.9
173.13229	6.1
175.14795	1.9
177.12761	2.3
178.07806	1.0
179.08597	4.3
179.14357	4.3
180.09268	1.4
181.10086	9.0
183.11661	13.9
185.09547	1.2
185.13235	7.0
186.74232	1.0
187.11176	1.9
187.14856	3.5
193.10088	5.0
194.10831	1.9
195.11674	12.9
196.12468	1.7
197.13258	10.6
199.14868	4.5
201.16420	1.9
206.10873	1.9
207.11708	5.4
209.13232	11.8
210.14131	1.8
211.14763	6.0
213.16501	1.7
219.11737	3.7
221.13298	4.1
222.13928	1.6
223.14774	6.7
225.16403	3.7
227.17934	1.5
232.78918	1.1
233.13278	2.2
235.14859	5.2
237.16464	4.7
239.17923	2.5
241.19527	3.4
247.14827	2.3
247.20631	1.6
249.16360	2.1
251.17926	1.7
255.17297	1.2
257.19122	2.8
259.20703	3.2
261.16364	1.2
263.17947	2.4
265.19510	2.8
267.21143	1.2
273.18570	1.7
275.20071	16.7
277.19629	1.1
279.20993	1.5
293.21262	1.2
307.20413	1.9
311.19986	1.1
315.23300	3.3
325.21658	1.4
335.23700	1.7
347.23492	1.4
349.24680	2.1
353.24622	1.6
361.25156	1.4
363.26810	1.6
377.28491	1.2
389.28067	1.1
391.30280	1.6
393.27945	1.2
422.99725	1.1
497.37259	1.5
515.38971	9.7
533.39673	6.9
534.40948	1.3
538.36475	2.0
551.41022	4.2
575.22534	1.2
589.42719	5.6
607.27460	2.5
607.43536	100.0
608.25708	1.4
608.43939	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	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.56111	0.2
69.89692	1.0
69.90107	0.5
73.99927	0.2
85.98804	0.2
86.48053	0.2
145.61235	0.2
203.13698	0.3
207.66602	0.3
209.15933	0.2
212.08884	0.3
221.10680	0.2
243.57597	0.3
246.11375	0.3
261.57190	0.3
321.00681	0.3
338.07382	0.3
387.15753	0.6
388.16806	0.5
389.17606	1.1
390.18353	0.3
391.19037	0.3
401.17520	0.9
402.18341	1.4
403.19156	3.6
404.19910	0.8
405.20749	1.6
415.19235	1.0
416.15201	0.3
416.20438	1.2
417.21185	4.9
418.21622	3.0
419.22293	3.5
430.17801	0.9
430.22446	0.5
431.18118	8.4
432.18448	1.8
432.23972	0.7
433.23987	9.7
434.24481	1.1
443.18378	0.5
444.18939	0.7
444.24017	0.5
445.19754	9.5
446.20569	4.3
447.21725	3.8
458.21027	0.3
459.21320	4.5
460.22461	13.1
461.23270	13.3
473.23746	2.9
474.24069	0.8
477.22629	0.8
487.24786	1.3
488.25778	0.6
489.22610	0.8
491.24512	0.5
492.24731	0.6
505.21683	2.2
506.12723	0.3
506.26337	0.5
515.24286	0.6
518.23279	0.4
519.27191	1.7
532.24713	0.9
547.26978	44.2
548.27216	1.6
575.26752	1.1
578.25476	0.3
579.29553	0.9
607.29041	100.0
608.29504	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	607.2901
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
57.14934	0.5
57.50489	0.5
69.89619	1.6
69.90035	2.2
124.71249	0.6
126.78346	0.5
127.52305	0.5
129.73474	0.5
162.60191	0.6
176.70900	0.6
431.18491	0.8
433.23929	1.6
445.20065	0.9
446.21451	0.8
447.21320	0.7
459.22141	1.5
460.22470	6.0
461.23276	6.6
473.23019	1.2
487.25076	1.0
492.25449	0.7
505.22467	2.1
519.24219	1.2
546.84338	0.7
547.26984	18.9
548.27362	1.2
607.29041	100.0
608.29388	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	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01865	5.2
55.05506	25.2
57.03426	8.1
57.07071	3.4
65.03939	3.3
67.05493	79.4
69.03420	19.7
69.07058	26.3
69.92157	3.2
69.92561	7.5
71.01347	2.1
71.04981	12.1
75.47582	1.3
76.12695	1.6
79.05481	55.4
81.03407	69.1
81.07044	100.0
83.04980	15.4
83.08608	17.8
83.22184	1.4
85.02907	7.4
85.06536	5.2
87.04497	1.6
91.03931	1.4
91.05470	45.5
93.06438	3.2
93.07030	66.0
95.04953	12.3
95.08590	31.8
97.02882	13.6
97.06521	15.1
97.10147	2.1
98.21350	2.8
99.04447	5.7
99.08097	3.6
103.05471	2.0
105.07011	29.3
107.04960	8.0
107.08585	38.9
109.02857	12.8
109.06482	7.8
109.10136	6.7
111.04449	9.3
111.08086	5.6
113.05983	1.6
115.05458	2.4
117.07002	16.2
117.17726	1.5
119.08557	17.6
121.06504	6.9
121.10117	17.3
123.04440	2.4
123.08100	2.6
123.11695	6.6
125.09666	1.7
127.03873	9.9
129.07014	6.2
131.04919	3.4
131.08546	16.4
133.06500	3.0
133.10098	16.8
133.10921	1.8
135.08037	5.7
135.11659	11.2
137.05943	2.3
137.09575	2.7
139.11154	2.2
141.06946	2.7
143.08557	4.5
145.06526	3.4
145.10138	6.3
147.07988	4.6
147.11673	14.2
149.09605	3.0
149.13245	25.2
151.11275	1.5
155.08588	2.2
157.10088	4.7
159.11670	14.3
163.11206	2.3
165.12778	5.6
167.07054	3.0
167.14392	1.8
167.21111	1.6
169.10095	2.2
171.11710	4.0
173.04507	3.5
173.05965	1.9
173.13158	1.8
177.12697	9.1
179.07208	1.7
181.06552	1.8
183.06516	2.0
187.14848	2.5
189.12785	2.3
193.12302	2.7
195.13756	21.9
209.07918	1.6
213.14919	5.4
219.13745	2.0
219.17751	1.6
249.14871	1.7
251.16492	2.3
267.15948	5.8
269.17471	12.1
275.16461	1.9
293.17288	2.1
297.16949	2.4
303.15906	3.0
321.17032	5.2
337.16605	2.1
339.18015	14.2
345.09616	4.0
353.24988	2.4
377.19458	3.2
395.20657	14.4
445.29370	8.2
463.30353	9.2
571.32782	2.4
589.33417	3.7
607.34705	85.7
608.35162	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.03936	0.6
55.05496	1.5
57.03406	0.7
65.03931	0.4
67.05495	3.7
69.03432	0.5
69.07059	1.1
71.04980	0.4
71.63889	0.5
76.47800	0.3
79.05465	2.8
81.03407	2.7
81.07037	3.9
82.62724	0.4
83.04952	0.7
83.08608	0.5
91.05479	1.6
93.06519	0.4
93.07018	2.2
95.04942	0.4
95.08593	1.2
97.02861	0.6
97.06522	0.8
98.03425	0.4
98.81844	0.4
105.07020	1.4
107.08567	1.8
109.10142	0.8
117.06974	0.5
119.08560	1.2
121.10155	0.8
123.11690	0.7
129.06973	0.4
131.08585	1.4
133.10114	0.8
135.11684	0.7
136.20886	0.4
143.08556	0.5
145.10074	0.4
149.13261	0.6
159.11751	0.9
175.08754	0.4
177.12784	0.4
195.06248	0.5
195.13817	0.5
196.09969	0.4
205.58804	0.4
272.15610	0.4
318.43280	0.4
339.18073	0.6
370.15533	0.5
373.14636	0.5
374.15460	0.6
375.16232	1.2
388.16855	1.0
389.17563	3.4
390.18384	1.4
391.19141	0.7
401.18002	0.9
402.18677	1.0
403.14786	0.3
403.19250	4.3
404.20148	2.3
405.20755	3.6
415.19641	0.4
416.16016	1.1
416.20853	0.7
417.16083	4.1
417.21103	1.8
418.17291	1.0
418.22061	0.9
419.22519	6.5
420.23102	1.1
430.17883	1.2
431.18262	7.9
432.18835	3.4
433.20248	4.7
444.20148	0.6
445.20160	6.7
446.20978	8.0
447.21689	9.4
448.22504	0.9
449.19812	0.4
459.17166	0.7
459.22159	1.5
460.18158	0.8
460.23596	0.6
461.19601	2.0
462.24597	0.6
463.20715	0.7
473.23294	1.5
474.20374	5.6
475.21033	5.3
477.23001	1.1
478.23654	0.7
487.21408	1.8
488.22058	0.8
490.23724	0.6
491.20145	3.3
501.23016	1.1
505.22501	0.8
506.22916	0.7
519.24036	17.4
520.24390	0.8
529.22559	0.6
547.23340	12.9
548.23840	0.6
551.26404	0.7
575.23883	0.4
579.25867	7.0
589.24756	0.6
607.25452	100.0
607.33405	3.8
608.25665	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	607.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	1.3
69.03422	11.8
69.99976	1.0
70.00390	2.5
79.05459	1.3
81.03388	1.3
81.07045	1.0
85.02895	1.2
88.84563	0.5
89.03908	3.8
91.05457	0.8
95.08586	0.8
97.02832	1.2
103.05439	0.5
105.07070	0.6
107.04933	0.6
107.08585	0.6
109.02873	0.8
109.10139	0.9
117.03360	11.3
119.08575	0.5
127.03902	5.0
134.03633	0.8
135.04404	1.0
135.11656	0.5
136.15895	0.5
137.05920	0.9
145.02826	42.9
146.03148	0.6
147.04356	0.8
149.05943	4.2
155.47276	0.4
167.07004	0.7
177.05443	100.0
178.05803	1.1
186.05446	1.8
187.07491	0.6
197.06033	0.5
201.12541	0.5
226.06197	0.7
237.05298	0.9
253.04980	0.6
254.05777	1.0
261.07541	1.0
269.08072	15.4
288.27789	0.5
321.09671	7.9
329.06311	0.6
339.10657	8.2
359.11551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31641	0.2
65.46319	0.3
67.05478	0.5
70.71033	0.5
70.71384	0.5
91.05466	0.3
95.04943	0.6
95.08577	0.3
106.06538	0.2
114.48171	0.2
125.80927	0.2
131.08643	0.3
138.08951	0.2
194.95084	0.2
197.10876	0.3
204.06398	0.3
207.09261	0.3
209.10713	0.3
221.10577	0.3
235.12221	0.4
249.10300	0.3
251.11891	0.2
273.18356	0.2
312.14722	0.3
373.14572	0.4
374.15396	0.4
375.16058	0.7
376.17349	0.4
387.16135	0.6
388.17078	1.2
389.17572	2.6
390.18491	1.2
391.19315	0.9
392.19745	0.3
401.17712	0.8
402.14124	0.5
402.18997	1.2
403.19467	4.3
404.19940	1.8
405.20819	3.3
406.21191	0.3
414.18600	0.3
415.19626	0.4
416.16327	1.0
416.20764	0.4
417.16180	4.5
417.21106	2.1
418.17093	1.3
418.22275	0.5
419.22418	6.3
420.22995	1.1
429.16846	0.3
430.17941	1.0
431.18201	7.7
432.19028	3.7
433.19852	3.4
434.20581	0.3
435.21796	0.4
443.18677	0.4
444.19308	0.3
445.20242	5.1
446.20944	8.8
447.21667	8.7
448.22421	0.7
449.19366	0.3
459.21735	2.0
460.18494	0.7
460.23535	0.4
461.19196	2.0
462.24091	0.7
463.20776	0.6
463.25604	0.4
473.18387	0.4
473.23572	1.1
474.20346	5.5
475.20999	4.6
476.21558	0.6
477.22900	0.8
478.23526	0.9
487.21289	1.8
488.22235	0.4
490.23932	0.5
491.19962	3.1
501.23038	1.0
502.23282	0.3
504.21710	0.6
505.21881	1.1
506.23068	0.4
518.23419	0.4
519.24048	15.7
520.24268	1.0
529.22290	0.4
547.23328	12.6
548.15826	0.2
548.23450	1.2
551.26337	0.5
561.24847	0.4
579.25897	6.1
580.25684	0.4
607.25421	100.0
608.25775	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	607.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.7
55.05659	0.3
56.81680	0.3
57.03365	0.5
57.07003	0.6
57.66528	0.3
67.05403	1.5
69.06981	0.8
69.46689	3.2
72.53236	0.3
72.66907	0.4
79.05391	1.7
81.03308	0.4
81.06940	2.0
83.08526	0.5
91.05364	1.7
93.06911	1.3
95.04870	0.6
95.08491	1.1
97.06434	0.4
97.10129	0.3
98.26125	0.4
105.07006	2.0
107.04901	0.5
107.08441	1.2
109.10078	0.6
117.06938	0.5
119.08425	0.9
121.10006	0.5
129.06897	0.5
131.08476	0.8
133.09996	0.7
135.11581	0.5
143.08533	0.3
145.10019	0.8
147.11530	0.4
149.09554	0.4
159.11574	0.6
169.21162	0.3
171.11571	0.4
173.13136	0.5
209.10678	0.7
219.09090	0.4
219.17380	1.5
221.10640	0.5
223.08408	0.3
223.12128	0.6
230.66937	0.3
235.12224	0.6
250.12862	0.4
275.19882	1.0
276.20331	0.7
314.27664	0.5
360.17645	0.3
373.14346	0.5
374.15326	1.0
375.16086	1.6
377.17349	0.4
386.16452	0.4
387.15759	1.4
388.16998	1.6
389.17554	4.8
390.18582	2.0
391.19443	1.6
401.17569	1.5
402.14005	0.8
402.19025	2.0
403.19385	7.9
404.20013	3.6
405.20810	3.8
415.19156	1.0
416.15479	2.5
417.15982	5.9
417.20880	4.1
418.17453	1.5
418.22479	1.7
419.22440	10.0
420.23145	0.8
429.21448	0.5
430.17310	2.9
431.18234	12.0
432.18945	4.7
433.19946	3.9
434.20596	0.6
443.18475	1.0
444.19406	1.2
445.20157	9.8
446.20874	8.0
447.21719	12.6
448.22137	1.1
457.20276	0.4
459.18094	3.4
459.22690	1.2
460.18799	1.5
461.19705	1.8
462.24612	0.6
463.25687	1.6
473.19305	1.3
473.24432	0.5
474.20407	12.2
475.21094	14.0
476.21649	1.4
477.22787	1.0
478.23764	0.7
487.21368	2.7
488.21719	1.3
490.23569	1.5
491.19153	1.8
491.25177	1.0
501.22659	2.0
502.24017	0.4
503.25040	0.6
505.22394	1.0
506.22626	0.5
518.23138	0.4
519.23987	13.3
520.24561	1.6
529.21753	0.5
532.21045	0.8
547.23322	74.0
548.23663	5.9
561.25024	1.7
579.25922	4.6
588.46851	0.4
589.24463	1.4
607.25427	100.0
608.25769	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	607.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36855	0.2
55.02839	0.1
55.05484	0.2
57.42399	0.2
69.07057	0.2
69.72675	0.6
69.73112	0.5
79.05505	0.2
81.03428	0.2
81.07041	0.2
85.02905	0.2
91.05457	0.3
93.07045	0.2
95.04955	0.2
95.08564	0.2
96.96573	0.2
97.02840	0.2
107.04939	0.3
109.10119	0.3
125.02328	0.2
127.03876	0.2
135.04379	0.2
135.34772	0.2
137.02315	0.5
137.05933	0.9
139.03812	0.2
139.07478	0.2
140.10713	0.3
141.09030	0.3
147.04366	0.3
149.05920	0.2
151.07471	0.2
152.00986	0.2
153.01814	1.2
153.05453	0.2
156.24435	0.1
161.05919	0.3
163.03893	1.0
164.04672	0.2
166.02582	0.4
167.03403	1.1
167.06944	0.6
169.87575	0.2
177.05466	0.6
178.06218	5.4
179.07007	0.4
185.05898	0.2
191.03459	0.2
191.07057	0.3
192.04141	0.2
192.07776	0.3
193.04846	0.3
202.06184	0.2
213.05565	0.3
217.04901	0.2
227.06836	0.2
230.05658	1.1
230.17569	0.2
231.06483	0.3
241.04971	0.6
242.05673	0.3
245.04324	0.2
245.08055	0.4
255.06503	0.7
257.08234	0.3
258.05215	1.0
267.06516	0.2
268.03635	0.5
269.04428	5.9
269.07935	0.5
270.05164	0.5
273.07480	1.3
282.01474	0.4
283.02567	0.3
283.05960	1.4
285.07581	0.5
286.04730	1.3
295.05972	0.5
296.03278	0.3
297.03915	1.1
297.07388	0.3
298.04697	2.0
298.08243	0.4
299.01868	0.4
299.09067	0.5
300.06223	0.3
301.07031	7.0
301.10437	0.4
303.12140	0.3
311.05472	1.2
312.06329	0.6
313.06970	1.4
314.04169	5.2
315.04880	0.3
315.08566	0.4
316.09741	0.2
317.06622	0.2
325.07031	0.6
326.07788	0.9
327.08578	0.8
328.09406	0.3
329.06519	34.2
330.06915	0.6
331.11655	0.3
343.08014	0.9
344.08859	21.3
345.09357	0.3
359.11197	100.0
360.11496	2.2
597.46198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15587	0.2
56.78245	0.2
65.46193	0.2
69.32841	1.4
69.33259	0.9
81.74377	0.2
98.20691	0.4
107.04926	0.3
135.04321	0.2
137.05980	1.1
159.07668	0.2
161.02330	0.5
163.03877	0.8
167.03400	1.6
167.07028	0.6
177.01782	0.4
177.05489	0.3
178.06224	4.4
184.03725	0.4
189.01971	0.2
192.04242	0.4
193.04941	0.4
197.04446	0.5
227.07092	0.2
230.05704	2.1
231.06491	0.4
241.04982	0.5
242.05721	0.5
245.04283	0.3
245.08176	0.3
255.06447	0.7
257.08035	0.7
258.05222	1.7
264.97803	0.2
269.04413	6.6
270.05167	0.5
273.07516	2.4
283.06009	2.1
285.07452	0.5
286.04727	1.4
295.05957	0.4
297.03867	1.2
297.07556	0.8
298.04669	0.6
298.08228	0.6
299.05249	0.3
300.06287	0.2
301.07016	9.5
302.07413	0.3
303.12167	0.5
311.05441	1.7
312.06253	0.5
313.06860	1.4
314.04211	4.0
314.07669	0.2
315.08517	0.4
316.09244	0.3
325.06979	0.3
326.07727	1.4
327.08514	1.0
328.05936	0.2
328.23242	0.3
329.06516	58.5
330.06915	2.0
343.08005	1.9
344.08862	24.3
345.09152	0.8
359.11200	100.0
360.11536	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16511	0.2
60.80242	0.2
64.45917	0.2
69.03397	0.3
70.91134	0.6
81.03376	0.4
81.07043	0.2
85.02844	0.3
88.40142	0.2
92.02566	0.6
92.03193	0.2
95.04846	0.2
97.02812	0.7
105.06965	0.2
107.04889	0.5
109.02822	0.7
120.02069	1.7
127.03899	0.3
135.04370	0.4
137.01312	0.3
137.02324	3.9
137.05937	1.7
138.03036	0.7
145.02750	0.5
147.04346	0.4
148.01482	0.3
149.05933	0.3
151.03958	0.3
151.07440	0.3
153.05394	0.3
161.02298	0.3
161.05867	0.3
162.06693	0.3
163.03883	1.9
165.01782	0.5
166.02606	2.2
167.03383	2.3
167.06987	0.5
177.05409	0.9
178.06232	8.8
179.06772	0.4
181.08720	0.2
183.02821	0.6
184.03606	1.5
187.04056	0.2
191.03337	0.2
191.07091	0.2
192.03976	0.3
193.04863	0.5
195.06464	0.4
204.04117	0.3
205.04857	0.5
213.05359	0.5
227.06889	0.3
229.08151	0.2
230.05664	1.9
233.04349	0.4
241.04839	0.5
242.05560	0.3
245.04433	0.4
245.08023	0.6
251.05560	0.4
254.02071	0.4
255.06381	1.0
255.11179	0.4
257.07867	0.5
258.05145	1.0
261.07516	0.2
267.06650	0.2
268.03671	0.3
269.04425	5.7
270.04846	0.3
271.09647	0.3
273.07513	1.8
282.05164	0.4
283.06113	1.6
284.06589	0.3
285.07541	0.5
286.04666	1.0
295.06061	0.4
297.03827	1.1
297.07367	0.5
298.04691	0.8
298.07855	0.4
299.02005	0.5
301.07022	6.7
302.07407	0.4
303.12421	0.5
311.05435	1.7
312.06161	0.6
313.06973	1.4
314.04196	3.7
314.07672	0.1
315.08731	0.3
315.13336	1.9
325.06940	0.3
326.07858	1.1
327.08560	0.8
328.09125	0.2
329.06509	42.6
330.06891	2.2
331.11710	0.3
332.12457	0.2
343.08102	1.2
344.08862	22.1
345.09152	1.2
359.11197	100.0
360.11533	5.0
373.12830	0.9
401.12216	0.7
521.16559	0.5
563.17493	0.8
607.16534	8.4
608.16809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.4
53.03933	4.4
55.01866	18.7
55.05505	35.7
57.03425	7.7
57.07070	59.6
58.07411	1.6
59.58497	1.5
65.03938	3.9
67.05500	76.0
69.03423	2.4
69.06689	2.0
69.07061	37.3
69.22533	1.3
70.26605	5.2
71.04971	3.8
71.08250	2.7
71.08622	39.9
72.15413	1.4
79.05485	51.4
81.03407	2.9
81.07049	100.0
83.04971	6.7
83.08115	1.5
83.08611	29.0
85.06528	3.9
85.10172	21.6
87.56852	1.3
91.05472	42.9
93.07037	46.7
95.04967	11.8
95.08598	64.3
97.06520	21.9
97.10160	16.6
98.21349	2.3
99.08101	2.2
103.05421	2.1
105.06334	3.0
105.07017	50.6
107.04951	22.4
107.08582	37.0
109.06521	15.5
109.10149	33.9
111.08046	3.3
111.11710	2.9
113.39877	1.3
115.05421	2.0
117.07014	14.7
119.04878	1.5
119.08578	34.0
120.08878	1.5
120.42576	1.5
121.06490	4.3
121.10126	20.7
123.08081	5.1
123.11694	15.5
125.09637	7.6
129.06989	3.0
131.08560	18.5
132.30907	1.8
133.06514	1.6
133.10121	26.5
135.08049	8.9
135.11667	7.8
137.09579	6.3
137.13217	4.0
139.11209	2.3
141.06953	1.8
143.08566	4.5
145.06410	1.6
145.10118	23.3
147.08075	1.8
147.11673	19.8
149.09599	26.6
149.13206	3.3
151.11150	3.3
155.08572	3.7
157.10112	5.5
159.11653	13.5
161.09653	3.0
161.13226	4.9
163.11163	13.4
165.12741	7.4
167.10628	1.6
169.10127	3.3
171.11647	4.3
173.13260	6.0
175.11136	2.3
177.12715	2.7
183.11696	2.4
185.13196	1.7
187.11223	2.8
189.11198	4.5
191.14311	2.5
193.10260	1.5
193.12144	1.9
197.13187	3.1
207.13722	1.6
211.14754	2.1
215.14224	1.6
215.18036	1.6
217.63409	1.7
223.45447	1.5
227.12735	10.7
229.19495	3.8
233.15361	1.9
239.17897	5.5
239.23653	6.8
241.14285	3.7
247.20500	4.7
257.18970	15.3
275.20038	96.0
276.20438	2.2
293.21085	14.0
313.27344	59.9
314.27826	2.1
331.22580	3.5
349.23697	38.3
350.23981	2.1
587.46692	32.3
588.46631	2.1
605.24152	2.6
605.48297	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.2
71.15562	0.4
84.08096	0.2
97.02863	0.3
97.06454	0.2
104.73823	0.2
107.04931	0.3
135.04314	0.2
137.05927	0.9
140.04640	0.2
141.58153	0.2
145.02846	0.2
161.02296	0.2
161.05872	0.2
162.03017	0.4
163.03874	0.7
167.03369	1.4
167.06984	0.7
167.23126	0.1
177.01784	0.2
177.05394	0.5
178.06226	3.1
184.03638	0.3
192.04140	0.5
193.04950	0.4
194.97308	0.2
213.05424	0.2
214.06294	0.2
217.05109	0.2
225.95261	0.2
230.05684	1.4
231.06480	0.3
236.85837	0.2
240.04016	0.2
241.04892	0.6
242.05664	0.4
245.07986	0.2
253.04951	0.2
255.06496	0.8
257.08002	0.7
258.05200	1.1
259.05881	0.2
268.03586	0.2
269.04419	5.0
270.05099	0.5
273.07516	2.4
282.01370	0.2
283.05963	1.9
285.07367	0.4
286.04654	1.0
287.05499	0.2
295.05954	0.4
297.03918	1.1
297.07483	0.5
298.04684	1.3
298.08246	0.5
299.05304	0.3
299.08896	0.4
300.06485	0.2
301.07022	8.4
302.07318	0.3
303.12167	0.3
311.05463	1.7
313.07031	3.0
314.04196	3.2
315.05051	0.3
315.08563	0.6
325.06818	0.4
326.07813	1.2
327.08511	0.8
329.06506	44.9
330.06863	1.6
331.11795	0.3
343.08041	1.0
344.08859	16.6
345.09595	0.9
358.10556	0.2
359.11191	100.0
360.11584	3.2
589.91901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77345	1.6
52.29942	2.1
57.50267	1.6
59.65250	1.7
62.40112	1.8
69.56068	6.3
69.56500	7.0
81.03429	2.0
82.99862	3.1
85.02895	2.3
86.28596	1.6
88.27843	1.7
91.05470	2.5
97.02853	2.9
98.97598	3.2
101.00864	21.5
109.02843	4.5
113.00854	2.7
119.01909	59.9
119.04932	3.4
127.02385	2.9
131.01889	25.9
131.02802	3.2
133.03439	3.1
133.06477	3.4
137.02930	10.3
141.42909	1.8
142.03482	2.0
143.01889	35.9
145.03442	21.3
147.01364	2.9
149.02940	3.9
155.01852	26.8
157.03455	9.8
161.02940	57.0
163.04524	2.8
164.42500	1.8
167.01883	13.5
169.03461	5.6
171.01390	1.8
171.05061	3.4
173.02943	36.2
175.04497	2.0
179.01874	5.3
181.03435	3.1
183.04913	1.9
184.04498	2.8
185.01266	3.2
185.02936	61.2
186.03258	1.9
187.04497	5.8
191.03975	2.7
191.05525	3.6
195.04988	6.3
197.02924	18.8
199.04526	1.9
203.03975	17.4
209.03110	2.2
209.06590	21.2
213.06010	2.1
215.03973	12.5
219.01711	3.0
219.04996	20.5
220.05765	5.7
221.04976	4.0
223.04568	3.4
225.06047	2.6
227.04028	12.1
231.04979	4.9
233.06573	67.7
234.06885	2.6
235.04517	3.1
236.05203	3.0
237.06062	84.8
238.06372	3.1
243.04991	2.1
245.04951	100.0
246.05293	2.9
249.06157	4.0
251.04805	2.3
251.07674	24.3
253.05574	3.6
255.07120	40.6
255.09836	2.1
257.04999	5.0
260.07455	3.7
261.06030	28.3
263.03806	4.0
263.05740	11.4
271.06766	3.5
273.06036	6.7
275.05667	11.0
279.07123	86.3
280.07339	1.9
281.05029	13.6
285.06100	2.5
287.07550	2.1
291.07071	14.2
293.07266	3.1
295.06546	2.4
299.06128	4.1
302.08749	4.1
303.07098	10.3
305.04468	2.8
305.07492	5.6
315.07047	6.5
321.08093	9.0
323.06088	90.2
324.06384	2.5
327.06934	2.1
333.08078	2.7
335.05814	30.3
341.07114	47.9
345.08023	3.5
353.07089	26.2
359.08243	9.4
363.09232	39.9
364.08817	6.3
365.09396	9.3
371.08160	2.4
381.10400	8.4
383.08215	20.9
389.07422	3.4
407.08313	13.2
425.09286	26.8
443.10306	24.3
605.15521	14.0
606.16766	2.4
632.81970	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	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60245	2.7
53.03938	8.6
55.01859	12.0
55.05507	34.8
57.03413	9.0
57.90676	3.5
65.03926	5.3
65.71735	3.1
67.05495	61.5
69.03417	7.8
69.07059	34.2
71.04958	7.2
71.20681	6.8
79.05486	61.8
79.84863	3.5
81.03413	6.9
81.07048	91.3
83.04957	8.6
83.08620	23.8
85.02888	6.7
85.06525	8.1
91.05464	66.4
93.07029	64.2
95.04968	16.8
95.08594	48.8
97.02908	4.0
97.06506	12.4
97.10137	11.9
103.05466	4.5
105.07016	65.7
107.04928	14.6
107.07924	3.7
107.08588	46.9
108.41198	3.3
109.06502	14.0
109.10134	26.7
111.08043	9.6
115.05518	3.4
115.94747	3.3
116.94282	3.4
117.06995	22.7
119.08558	57.7
121.06478	10.4
121.10154	25.1
123.04354	4.5
123.08096	6.4
123.11686	9.6
125.09595	12.3
128.06195	5.8
129.06992	9.5
131.08546	32.0
133.06462	5.2
133.10109	46.7
135.04369	7.6
135.07997	7.7
135.11670	17.6
137.05963	8.7
137.09579	8.8
142.07828	3.3
143.08530	11.5
145.06480	5.9
145.10126	29.1
147.11671	20.6
149.09612	16.8
149.13243	8.8
151.07526	33.3
151.11122	5.3
155.08527	8.5
157.10106	10.5
159.11655	19.3
161.05946	4.5
161.09511	4.9
161.13228	8.4
163.11127	8.3
167.06993	21.4
169.10095	6.4
171.11624	12.4
173.13289	9.7
175.11160	4.2
175.14781	6.8
177.09138	5.8
177.12660	6.3
179.10548	3.8
183.11681	5.6
185.13336	4.4
185.66090	3.3
187.11024	3.9
189.11217	7.9
191.10599	7.8
195.11765	4.4
195.13757	6.6
197.13237	5.6
201.05466	3.6
229.19774	4.1
235.10732	3.4
235.16982	4.2
239.17870	6.6
249.18425	5.3
257.18933	7.9
273.18564	3.9
275.20047	100.0
277.21597	5.4
286.81750	3.7
293.20856	19.9
311.05597	3.9
317.24765	4.2
337.10400	4.5
346.25040	3.8
451.31699	4.6
567.40295	5.6
585.41986	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	603.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.1
55.01870	9.2
55.05505	54.9
57.03417	14.7
57.07068	49.0
63.48458	4.3
65.03919	4.6
67.05499	57.8
69.07059	37.1
69.80529	25.9
71.04977	7.0
71.08630	31.3
76.76682	3.7
79.05475	45.4
81.03403	4.4
81.07050	64.9
83.04967	4.8
83.08617	31.4
85.06523	7.2
85.10152	16.1
91.05464	77.3
93.07040	40.0
95.04952	13.0
95.08588	57.9
97.06516	6.9
97.10143	21.5
99.08050	5.1
105.07008	73.2
107.04927	6.3
107.08571	23.5
109.06504	11.5
109.10134	17.1
111.08021	5.5
115.05425	11.5
116.06171	7.7
117.07004	47.0
119.08559	37.4
121.06499	8.2
121.10105	12.4
122.58162	3.9
123.08048	11.1
123.11693	6.6
128.06201	33.4
129.07002	31.3
130.07796	11.4
131.08540	89.2
131.09471	7.1
133.06473	11.9
133.10081	23.9
135.08060	10.1
135.11664	7.8
137.55386	4.5
141.06976	12.9
142.07729	5.0
143.08539	88.9
145.06421	5.1
145.10112	100.0
147.08049	7.6
147.11662	16.0
149.09698	4.5
154.07759	4.5
155.08534	8.1
157.10106	17.7
159.11659	21.9
161.09561	9.9
163.11176	5.1
165.07034	5.2
167.08542	5.2
169.10115	15.3
171.10327	4.4
171.11594	20.0
173.09665	4.1
173.13213	5.2
174.44745	4.6
177.12737	5.9
181.10104	12.9
183.11656	7.5
185.13199	7.9
195.11705	17.6
201.12755	4.2
213.12608	5.2
213.16232	4.1
227.17924	8.5
237.16460	19.4
246.11530	4.0
255.17412	19.9
259.20532	14.2
265.02075	4.0
273.18494	51.1
291.19513	10.2
313.27313	77.2
327.28839	15.8
329.20966	7.0
333.24017	6.4
347.21991	21.8
367.62897	4.4
491.37244	11.3
505.38681	10.2
585.44928	20.4
603.45184	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	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60245	2.7
53.03938	8.6
55.01859	12.0
55.05507	34.8
57.03413	9.0
57.90676	3.5
65.03926	5.3
65.71735	3.1
67.05495	61.5
69.03417	7.8
69.07059	34.2
71.04958	7.2
71.20681	6.8
79.05486	61.8
79.84863	3.5
81.03413	6.9
81.07048	91.3
83.04957	8.6
83.08620	23.8
85.02888	6.7
85.06525	8.1
91.05464	66.4
93.07029	64.2
95.04968	16.8
95.08594	48.8
97.02908	4.0
97.06506	12.4
97.10137	11.9
103.05466	4.5
105.07016	65.7
107.04928	14.6
107.07924	3.7
107.08588	46.9
108.41198	3.3
109.06502	14.0
109.10134	26.7
111.08043	9.6
115.05518	3.4
115.94747	3.3
116.94282	3.4
117.06995	22.7
119.08558	57.7
121.06478	10.4
121.10154	25.1
123.04354	4.5
123.08096	6.4
123.11686	9.6
125.09595	12.3
128.06195	5.8
129.06992	9.5
131.08546	32.0
133.06462	5.2
133.10109	46.7
135.04369	7.6
135.07997	7.7
135.11670	17.6
137.05963	8.7
137.09579	8.8
142.07828	3.3
143.08530	11.5
145.06480	5.9
145.10126	29.1
147.11671	20.6
149.09612	16.8
149.13243	8.8
151.07526	33.3
151.11122	5.3
155.08527	8.5
157.10106	10.5
159.11655	19.3
161.05946	4.5
161.09511	4.9
161.13228	8.4
163.11127	8.3
167.06993	21.4
169.10095	6.4
171.11624	12.4
173.13289	9.7
175.11160	4.2
175.14781	6.8
177.09138	5.8
177.12660	6.3
179.10548	3.8
183.11681	5.6
185.13336	4.4
185.66090	3.3
187.11024	3.9
189.11217	7.9
191.10599	7.8
195.11765	4.4
195.13757	6.6
197.13237	5.6
201.05466	3.6
229.19774	4.1
235.10732	3.4
235.16982	4.2
239.17870	6.6
249.18425	5.3
257.18933	7.9
273.18564	3.9
275.20047	100.0
277.21597	5.4
286.81750	3.7
293.20856	19.9
311.05597	3.9
317.24765	4.2
337.10400	4.5
346.25040	3.8
451.31699	4.6
567.40295	5.6
585.41986	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	603.2432
Annotation	19-Hydroxybaccatin III
Peak:m/z	Relative Intensity
53.03922	1.2
55.05510	3.1
58.10997	1.1
59.04987	0.9
67.05492	4.3
69.03414	1.8
69.07056	2.3
69.78177	2.4
69.78599	4.3
79.05478	5.3
81.03405	2.7
81.07056	3.9
85.02914	1.3
85.07690	1.0
91.05481	5.3
93.07049	4.0
95.04937	2.5
95.08611	4.4
97.02898	2.1
97.06580	1.1
98.20763	2.0
100.97988	1.0
105.07037	3.9
105.14197	1.0
107.04964	3.5
107.08611	1.2
109.02898	1.7
109.06512	1.2
109.10156	3.1
115.05436	1.8
117.07017	1.9
117.38185	1.0
119.04956	1.2
119.08607	3.0
121.02870	1.7
121.06518	3.0
121.10159	2.2
123.04439	1.0
125.05969	1.3
127.03919	1.6
129.06992	1.7
131.08525	2.4
133.06506	1.1
133.10138	1.0
135.04453	3.7
137.06006	3.4
139.03900	1.4
141.06947	1.3
143.08615	1.6
145.06358	1.5
145.10146	2.1
147.04440	4.5
147.07986	1.4
149.05994	2.4
151.03903	2.3
151.07487	5.5
153.05423	5.5
157.06471	1.1
159.04378	2.4
161.05984	3.5
161.13222	1.0
163.03914	6.0
165.01926	1.1
165.05540	2.1
165.09167	1.9
167.07069	2.3
168.07828	3.4
173.05991	1.6
175.03928	2.4
177.05540	4.2
177.09065	0.9
178.06219	12.1
178.07535	1.1
179.07002	5.1
181.06493	1.2
181.08621	6.6
183.11775	1.1
185.05965	1.7
187.07576	1.2
191.07069	4.2
193.04990	1.8
195.06592	3.3
196.29526	1.2
201.05435	1.2
205.04904	6.8
205.08594	1.4
207.06419	1.0
209.04350	1.4
209.08105	1.8
211.07550	1.2
215.06894	1.4
227.07117	1.4
231.06796	1.2
241.05034	1.3
245.08182	1.3
249.09172	1.7
251.07123	2.0
253.08711	2.1
255.06465	1.4
267.06622	1.4
267.10107	1.7
269.12250	1.1
272.06793	1.7
273.07687	2.6
277.08591	2.3
279.06555	2.1
281.08151	3.5
283.06046	5.8
283.09357	1.7
284.07004	2.5
293.08136	2.0
294.05344	1.2
294.08829	2.6
295.06168	3.3
295.09549	1.8
296.07135	1.1
297.07678	3.1
297.14334	1.3
298.08426	3.2
299.09216	2.8
301.14249	1.5
305.08087	2.6
307.09741	2.6
308.10489	1.8
309.07709	3.4
310.08325	1.4
311.09210	2.6
312.09973	2.4
313.10718	5.5
321.07596	2.0
321.11288	2.3
323.09146	1.8
325.07339	1.7
325.10895	3.4
326.11438	1.5
335.12784	1.7
336.09763	1.4
337.07068	1.5
337.10788	2.8
339.08701	1.7
339.12408	1.9
341.06699	2.2
341.10410	4.4
343.08130	1.7
343.12079	1.5
345.09894	1.3
352.09314	3.3
353.06427	1.7
353.10342	2.4
355.11990	2.5
357.09802	3.8
367.11734	1.8
369.10007	2.1
370.11060	1.4
371.11429	4.2
379.15570	3.2
381.09628	1.4
383.11465	4.1
385.13000	1.8
393.17230	1.7
399.10837	2.8
409.20151	4.0
413.12637	1.3
419.18811	3.2
423.22363	1.3
436.18729	1.5
437.19958	8.5
446.17044	1.2
447.18323	2.4
451.21399	2.5
453.19009	1.8
463.17340	1.2
465.19092	8.3
467.20514	8.2
479.21030	4.8
481.18802	3.4
489.19128	1.1
493.22418	2.3
495.20020	18.6
507.19934	6.7
511.23380	12.6
513.21088	8.3
521.21381	5.6
523.23364	1.6
525.21069	1.7
535.19916	2.9
537.17627	1.9
539.22723	27.5
549.21344	2.0
553.20520	9.5
557.23859	13.2
567.22192	64.3
571.21637	15.2
585.23242	72.5
586.23529	2.7
603.24506	100.0
604.25049	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.7
55.01870	15.2
55.05499	3.4
57.03437	10.1
61.02923	5.7
67.05498	7.8
68.99784	6.3
69.03422	57.6
69.07064	4.5
69.70370	1.2
71.04981	10.3
71.26238	1.4
71.59525	2.7
71.84923	1.4
73.02909	10.4
79.05490	9.6
81.03410	68.0
81.07037	8.4
83.01302	3.3
83.04949	2.5
83.08626	2.1
84.49159	1.3
85.02896	100.0
87.00818	37.5
87.04449	3.2
91.03950	4.9
91.05470	6.3
93.07037	5.5
95.04964	6.8
95.08589	4.1
97.02879	35.4
97.06525	5.9
97.10116	1.7
98.06855	2.0
99.04443	24.2
105.01850	27.2
105.07017	6.9
107.04935	4.9
107.08568	4.5
109.02865	60.5
109.06505	5.3
109.10139	3.2
111.04436	1.4
115.03905	2.4
115.05479	2.4
117.01863	7.2
117.07014	2.6
119.04917	2.1
119.08617	5.1
121.06477	3.1
121.10159	2.0
123.04393	2.4
123.08025	1.6
127.03902	81.9
129.01810	6.9
129.06989	2.7
131.04961	2.6
131.08542	2.5
133.06467	2.3
133.10112	3.0
135.08044	4.7
135.11694	1.7
137.02327	2.4
137.05959	91.3
138.06328	1.9
140.45358	1.5
143.08589	2.4
145.02861	1.8
145.04953	24.6
145.06490	4.5
145.10074	2.6
147.02858	6.3
147.04391	5.6
147.08112	1.7
147.11700	2.3
149.06010	2.7
153.05478	3.7
159.02869	38.1
159.08029	2.2
161.05943	8.5
161.09618	2.7
161.22577	1.5
163.03903	2.1
163.07532	19.7
165.09135	2.9
166.52272	1.7
167.07002	1.7
173.06079	3.7
175.07559	2.6
177.05403	4.1
177.09096	3.1
179.07031	5.3
187.07594	5.1
189.03778	2.0
189.09018	7.5
193.12334	1.5
201.05490	5.8
201.09082	2.5
203.03384	4.2
203.10561	2.0
205.08583	39.5
205.10504	2.2
211.13231	2.4
213.03809	2.7
227.52513	1.6
229.08612	3.9
231.04912	10.7
231.10144	1.8
234.06659	2.9
245.08119	4.1
247.09663	3.2
262.06262	3.5
270.72794	1.5
271.09561	2.2
273.15021	2.2
277.08615	4.2
279.06320	1.6
289.95239	1.6
290.05649	2.6
301.14246	7.3
305.08112	5.9
309.12003	1.6
313.10873	2.6
315.13379	4.9
325.10764	2.1
337.10825	8.2
339.15906	11.8
345.09564	3.2
355.11627	2.7
355.15350	13.4
417.11862	2.2
465.60001	1.6
543.29572	2.3
557.27191	1.8
567.27295	2.4
585.30182	5.8
603.17633	3.9
603.31122	5.8
603.39563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01840	0.4
55.05471	0.3
57.03420	0.3
59.05629	0.2
61.02922	0.3
64.18877	0.2
67.05468	1.2
68.99754	0.4
69.03386	0.7
69.07027	0.4
70.06569	0.4
71.58824	0.4
79.05441	1.0
81.03374	1.0
81.07011	0.9
83.08567	0.4
85.02854	0.6
87.00773	0.3
91.05460	1.4
93.07001	0.7
95.04929	0.9
95.08607	0.6
97.02850	0.6
97.06526	0.4
105.06958	0.8
107.04913	0.9
107.08540	0.6
107.63144	0.3
109.02837	0.8
109.06461	0.5
109.10112	0.4
115.05404	0.4
117.07009	0.5
119.04886	0.3
119.08504	0.5
121.06498	0.3
121.10106	0.7
122.03576	0.3
122.34904	0.3
123.04414	1.6
123.12567	0.2
127.03894	0.5
127.41093	0.2
128.06189	0.5
129.01796	0.3
129.06879	0.3
131.08534	0.3
133.06441	0.6
133.10126	0.6
135.04449	0.3
135.11519	0.3
137.04976	0.4
137.05969	7.1
137.09483	0.3
143.08597	0.3
145.06485	0.3
145.10095	0.4
147.04372	0.9
149.02293	1.0
149.05954	0.7
151.03833	0.4
153.01826	1.3
157.06390	0.4
157.10080	0.6
160.05183	0.8
161.05974	1.9
162.06735	1.2
163.03879	0.9
165.05405	0.3
165.09053	0.3
167.06984	1.7
167.08437	0.5
173.05904	1.2
174.06686	0.3
175.03882	0.5
175.07471	0.2
178.02609	0.4
178.06236	3.9
179.03355	0.7
181.10065	0.3
183.02802	0.3
185.05939	0.5
186.03136	0.3
186.24069	0.3
189.05481	0.3
189.07103	0.4
189.09038	0.5
193.04961	0.7
195.08049	0.3
199.07478	0.4
200.20027	0.4
201.05449	2.9
203.06961	0.4
205.04869	0.4
206.07196	0.5
213.05400	1.0
213.09027	0.3
216.04131	1.3
217.04770	0.5
217.06622	0.5
218.07268	0.3
221.05997	0.4
227.03400	0.5
230.05643	0.9
231.06274	1.3
233.05977	0.6
234.06709	1.8
235.07454	0.7
241.04962	0.9
241.08609	0.4
243.06560	0.7
244.03612	1.0
245.05911	0.4
249.09137	0.9
255.02861	8.3
256.03448	0.3
259.05951	1.7
259.09607	1.6
261.05515	0.4
262.06216	1.8
263.06976	0.4
264.67010	0.3
265.08539	0.4
267.06509	0.3
269.04434	2.2
272.02838	0.5
273.05365	0.4
277.08542	2.0
279.06549	0.4
279.10172	0.3
281.04517	0.5
283.02341	1.7
283.05911	0.8
284.03076	0.5
284.06827	0.3
284.10330	0.3
287.05450	7.8
290.05679	2.3
293.08118	0.6
294.08890	0.3
295.09546	0.4
297.03891	1.7
298.04486	0.3
299.05466	1.4
300.02612	2.7
301.07037	0.7
305.08060	3.7
307.05823	0.3
307.09528	0.6
309.11209	0.3
311.05594	0.5
312.06061	1.3
313.06888	1.4
314.04016	0.3
315.04944	43.3
316.05301	0.7
319.09576	0.4
321.11319	0.3
322.08255	0.6
325.10770	1.5
329.06491	1.1
329.10150	0.5
330.07309	20.2
331.07431	0.4
337.10635	7.3
345.09647	100.0
346.10107	1.6
355.11734	0.9
357.09918	0.3
385.09232	0.4
409.12473	0.3
421.12598	0.6
427.11270	0.3
441.26511	0.4
445.12955	0.4
603.17773	1.8
603.30334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36669	3.3
53.03934	8.3
53.21257	3.9
53.67912	3.3
55.05502	24.6
57.07064	17.6
59.04964	9.0
65.03909	5.5
67.05492	40.6
69.03408	14.8
69.07064	28.8
70.31082	13.9
71.04978	5.6
71.08618	6.2
79.05476	35.1
81.03392	26.0
81.07044	60.2
82.07345	3.4
83.04971	19.4
83.08594	18.6
85.06544	7.7
87.04458	6.2
89.06005	5.9
91.05473	66.9
93.07031	84.8
95.04967	27.6
95.08592	51.1
97.06517	17.9
98.00227	3.6
99.08075	3.4
103.05442	4.9
105.06351	6.7
105.07018	100.0
106.07396	4.2
107.04938	6.2
107.07924	5.9
107.08586	82.8
109.06493	21.2
109.10130	40.5
111.08079	9.1
113.09617	6.6
115.05449	7.2
117.07008	27.6
119.07758	6.9
119.08564	87.0
120.08841	5.3
121.06474	10.2
121.10134	89.0
123.08094	19.0
123.11676	12.3
125.09607	13.0
128.06200	16.5
129.06996	21.3
130.07761	8.5
131.08563	46.3
133.06470	11.7
133.08582	5.4
133.10107	58.5
135.08067	19.7
135.11653	20.8
137.09575	12.9
138.17874	3.9
139.11150	10.6
141.06955	10.6
142.07785	23.0
143.08530	47.6
143.09526	5.5
144.09268	10.9
145.06393	5.7
145.10106	77.7
146.10446	3.4
147.08008	12.0
147.11665	29.8
149.09579	21.8
149.13202	8.0
151.07513	10.7
151.11136	4.6
153.06953	5.5
155.08554	17.9
155.10628	5.6
156.09325	21.7
157.10121	60.4
158.10674	7.5
159.08025	15.4
159.11688	38.2
161.05980	8.9
161.09596	21.4
161.13194	10.3
163.11122	10.2
165.06929	5.4
165.09088	14.4
166.07695	5.1
167.08511	8.8
167.10670	56.6
168.09279	6.4
169.10109	28.9
170.10815	10.5
171.11644	39.7
172.12347	4.8
173.05952	6.1
173.09641	10.1
173.13260	28.5
175.11169	12.5
175.14746	16.8
177.09151	4.3
179.08499	15.2
180.09236	5.5
180.21266	3.6
181.10127	19.5
181.90457	3.8
182.10794	11.3
183.11650	23.1
184.12325	7.0
185.09563	4.9
185.13271	17.0
186.13489	4.1
187.11130	10.5
187.14766	13.1
189.12726	9.3
191.14301	9.1
192.09489	4.6
193.10098	16.6
193.12077	4.9
194.10925	9.0
195.11662	27.6
196.12256	12.5
197.13223	22.0
198.13663	6.2
199.14812	17.2
201.12796	4.4
201.16455	7.7
203.14279	11.6
206.10898	7.6
207.11649	21.6
207.13551	6.3
208.12332	7.7
209.13254	28.8
210.13968	5.3
211.11102	4.4
211.14780	19.2
213.12631	6.3
213.16328	4.7
215.14264	7.4
217.09933	4.1
219.11827	6.5
220.12357	5.7
221.13194	13.4
221.15346	22.8
223.14775	15.5
225.16356	8.4
227.14201	5.8
229.15828	3.9
231.11607	6.7
232.12370	3.9
233.13176	9.1
233.15347	25.6
234.15970	4.1
235.14738	9.4
237.16293	11.6
245.13187	6.2
246.13779	6.3
247.14706	6.9
249.16379	5.3
255.17496	5.5
258.13843	6.2
263.18039	6.5
265.19418	5.7
268.18713	4.0
269.18942	8.4
271.13168	5.6
271.20627	4.5
273.16174	4.2
275.17480	4.3
277.19376	4.3
278.08630	3.6
281.18762	4.5
285.18518	5.2
313.27289	8.4
343.59027	3.9
349.25095	4.2
367.26154	3.9
491.35315	4.4
531.41534	4.4
565.40021	6.4
583.40808	9.3
601.41998	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16320	2.6
53.03928	4.3
53.98767	2.5
55.05505	20.8
57.03444	3.0
57.07063	9.5
59.67172	2.8
60.18985	2.4
65.03922	6.4
67.05494	49.6
69.03419	19.4
69.07064	20.6
69.81969	2.6
70.13678	16.2
71.04973	3.9
79.05482	37.7
80.05808	4.3
81.03388	5.2
81.07050	53.0
83.04964	23.8
83.08598	12.0
85.06522	9.4
87.04454	3.1
89.06001	3.6
91.05468	65.1
93.07035	81.7
94.07327	3.2
95.04959	28.5
95.08596	43.2
96.08871	3.9
97.06540	14.9
97.10143	6.7
103.05453	4.0
105.07019	100.0
106.07317	5.5
107.04960	6.1
107.08583	73.9
108.08893	5.3
109.06501	22.6
109.10132	32.6
111.08058	9.2
115.05435	8.1
117.07018	27.3
119.08559	91.7
120.08870	8.7
121.06506	13.9
121.10125	86.2
122.10480	5.1
123.08045	25.4
123.11656	10.3
125.05925	3.5
125.09602	8.8
128.06203	16.2
129.06982	26.5
130.07744	11.7
131.08542	44.1
132.08852	4.5
133.06459	3.7
133.10115	52.8
135.08055	21.4
135.11676	23.9
136.08432	3.7
137.09612	14.9
137.88309	3.2
139.11133	5.0
141.06946	10.2
142.07808	24.6
143.08554	44.9
144.09239	10.6
145.10110	73.0
146.10704	4.7
147.08008	26.3
147.11664	25.8
149.09619	22.1
151.07509	13.0
151.11139	4.8
153.06924	4.3
154.07759	4.9
155.08527	18.9
155.10622	3.4
156.09340	20.3
157.10109	65.2
158.10764	13.0
159.08029	12.8
159.11697	42.0
160.12038	7.1
161.05922	3.5
161.09593	19.1
161.13200	9.1
163.11168	17.9
165.06996	7.9
165.09090	31.0
166.07713	3.9
166.09404	6.3
167.08499	10.0
167.10651	47.2
168.09241	5.2
169.10086	25.0
170.10831	8.3
171.11661	34.2
172.12242	6.0
173.09560	8.4
173.13216	20.0
175.11137	12.3
175.14833	10.7
177.09073	3.3
179.08603	10.5
179.10535	2.4
180.09357	6.9
181.10031	17.7
181.12230	11.1
182.10844	8.5
183.11653	31.3
184.12285	5.0
185.09479	4.5
185.13251	18.6
186.10249	2.7
187.11150	9.5
187.14856	6.9
189.12764	10.1
189.16374	3.1
191.14291	6.8
192.09245	3.8
193.10059	14.4
193.11992	4.6
194.10786	8.3
195.11641	22.0
196.12306	9.6
197.09543	3.9
197.13261	24.3
198.13745	3.9
199.11134	6.8
199.14769	11.0
201.12679	9.3
201.16316	3.7
203.14191	16.5
204.14645	5.3
205.10188	3.7
205.15814	2.8
206.10861	5.5
207.11659	18.6
207.13785	10.0
208.12299	5.0
209.13251	23.2
209.15073	4.7
210.13730	7.0
211.11192	4.7
211.14830	16.3
213.12634	7.7
213.16347	3.9
215.14255	3.6
217.15874	6.8
218.10698	3.3
219.11580	5.1
220.12366	4.7
221.13148	14.7
221.15271	69.1
222.13812	5.3
222.15791	6.4
223.14664	13.3
224.15205	3.6
225.12599	4.4
225.16341	8.8
227.14240	4.9
231.11662	4.4
233.13205	10.7
233.15352	21.7
234.15913	5.1
235.14760	11.0
235.16899	3.9
237.12646	4.9
237.16335	8.3
238.16974	3.8
239.17996	5.4
245.13219	5.9
247.14709	7.4
247.16949	5.9
249.16388	7.6
251.17909	3.6
253.16055	3.8
253.19267	3.5
255.17494	4.0
256.17728	5.3
257.18991	4.3
261.16336	4.2
262.17035	3.7
263.17758	3.7
265.19498	4.5
267.17432	4.1
269.18713	6.6
271.17212	3.2
273.16031	4.3
275.17514	3.9
275.20157	4.7
277.19318	3.6
281.18723	3.4
283.20422	3.9
286.19147	4.0
287.20105	5.3
291.19397	4.2
299.19946	6.1
301.21683	7.0
303.19489	8.5
304.20026	6.0
309.22049	3.8
317.22711	4.8
319.20309	4.2
349.25259	5.7
352.23819	8.3
353.24353	13.7
365.24924	4.4
367.26294	3.6
378.25186	3.4
509.35376	6.3
521.35876	9.0
565.39764	3.4
583.41095	11.0
586.39520	4.0
601.42389	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39761	4.7
53.03930	5.2
55.01872	4.6
55.05511	26.5
56.94270	4.5
57.07067	20.9
60.92167	5.5
67.05499	45.0
69.03405	10.6
69.07050	27.0
71.08624	9.3
71.58694	5.9
79.05482	43.2
81.03413	18.5
81.07058	48.8
83.04963	17.3
83.08596	19.9
85.06554	10.9
87.04449	8.9
89.06010	9.6
91.05461	59.1
93.07039	68.3
95.04962	31.8
95.08602	45.2
97.06488	13.1
103.05445	7.0
105.07018	100.0
106.07259	5.8
107.08585	69.6
108.08934	6.8
109.06510	20.0
109.10133	31.8
111.08044	5.7
113.09651	6.3
115.05401	10.0
117.07024	18.4
119.08562	87.9
120.08920	10.4
121.06464	8.9
121.10136	68.9
122.10499	6.3
123.08051	15.1
123.11751	7.1
125.09620	19.1
128.06215	13.9
129.07011	22.1
130.07767	7.4
131.08557	46.6
133.08588	6.2
133.10098	46.9
135.08049	16.7
135.11662	18.8
137.09631	5.6
141.06967	9.7
142.07747	20.6
143.08575	38.7
145.10103	59.8
146.10471	9.1
147.08011	15.5
147.11662	20.4
148.08496	4.7
149.09595	15.7
149.13194	6.9
151.07552	7.1
154.07779	6.2
155.08493	17.2
155.10672	9.1
156.09274	19.3
157.10143	49.3
158.10753	8.9
159.08037	17.5
159.11685	28.0
161.06052	11.3
161.09625	12.6
161.13132	5.8
163.11130	10.3
165.07018	7.3
165.09167	6.1
167.08545	12.5
167.10689	41.8
168.09251	6.3
169.10168	25.2
170.10663	9.4
171.11702	33.9
172.12234	5.7
173.05919	6.8
173.09599	7.9
173.13243	20.9
175.11137	10.8
175.14803	11.1
179.08554	10.1
181.10158	16.6
181.12073	5.5
182.10808	9.6
183.11661	23.4
185.09579	5.9
185.13271	16.1
187.11153	9.7
187.14778	12.4
192.09286	5.6
193.10068	10.0
194.10800	7.5
195.11678	24.4
196.12370	9.1
197.13225	28.6
199.14844	17.3
201.12724	8.4
203.10739	5.5
203.14227	7.7
206.10869	9.9
207.11717	9.9
208.12421	10.9
209.13222	21.7
209.15057	6.1
210.13910	7.2
211.14809	22.8
215.14325	10.2
221.13289	12.2
221.15425	14.5
223.14793	15.4
225.16309	10.1
233.15390	21.1
235.14757	10.1
237.16277	9.8
239.18002	5.3
245.13164	5.7
249.16379	7.0
256.17737	5.7
261.16394	5.3
269.18979	9.7
271.13254	6.6
279.17456	5.3
313.27652	6.4
545.18030	5.0
583.40668	10.9
601.41577	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
55.01834	2.8
55.05505	24.9
57.07050	10.6
59.04981	2.4
65.03925	4.5
67.05495	36.6
69.03427	14.0
69.07056	27.5
69.46077	17.2
69.46506	7.3
71.04974	4.1
73.40306	2.2
77.03880	3.0
79.05479	34.9
81.07043	46.3
83.04978	23.6
83.08598	15.5
85.06532	7.0
87.04440	3.4
91.05470	56.7
92.05820	2.6
93.07032	81.6
95.04947	26.7
95.08595	41.9
97.06513	17.5
103.05457	3.2
105.07011	92.5
107.04922	2.9
107.08578	74.9
109.06509	16.8
109.10145	35.7
111.08042	5.7
113.09641	7.0
115.05421	6.0
116.06193	3.8
117.06999	22.5
119.04974	2.6
119.08572	100.0
121.06471	9.3
121.10128	97.2
123.08052	17.1
123.11716	11.6
125.06028	2.9
125.09636	19.6
128.06213	13.7
129.07005	18.5
130.07793	11.9
131.08553	41.8
133.06493	4.4
133.10107	69.2
135.08023	18.6
135.11674	20.0
137.09601	8.5
139.11174	8.0
141.06972	7.9
142.07753	25.0
143.08531	41.5
144.09264	11.0
145.10106	66.0
147.08003	12.7
147.11668	27.7
149.09615	18.1
149.13235	6.6
151.07536	7.4
151.11205	5.4
153.06989	3.9
154.07748	5.9
155.08533	23.7
155.10632	8.9
156.09329	18.5
157.10120	67.4
158.10843	11.9
159.08009	16.9
159.11668	43.6
161.09589	15.6
161.13249	8.7
163.11169	7.7
165.06985	4.9
165.09064	11.7
166.07735	5.9
167.08527	12.3
167.10654	69.3
168.09254	8.0
168.10715	3.3
169.10107	24.9
170.10883	12.5
171.08098	3.1
171.11676	42.3
172.12202	4.5
173.09624	9.1
173.13249	27.2
175.11157	10.2
175.14801	19.0
177.12700	3.5
179.08505	12.8
180.09270	5.1
181.10114	16.5
181.12259	5.7
182.10892	10.1
183.11650	29.0
184.12305	5.5
185.09647	5.1
185.13243	22.1
187.11191	4.3
187.14751	12.0
189.12733	9.3
191.14229	4.8
192.09302	5.8
193.10176	12.9
193.11790	2.3
194.10751	12.5
195.11723	25.2
196.12401	9.6
197.13225	27.4
198.13704	3.9
199.11226	3.7
199.14774	18.2
201.12743	7.0
201.16284	6.7
203.14276	8.4
205.09991	4.0
206.10866	4.9
207.11641	16.6
207.13548	4.6
208.12523	6.0
209.13229	23.5
209.15273	5.8
210.13742	5.7
211.11107	4.9
211.14844	15.8
212.15659	2.6
213.12837	3.2
213.16380	5.5
215.14326	7.1
217.15822	6.7
219.11736	5.1
220.12486	3.8
221.13232	17.3
221.15366	21.4
222.13924	3.3
223.14693	17.2
224.15215	3.7
225.12901	4.9
225.16359	9.7
227.14316	4.6
227.17899	4.1
231.11717	3.4
233.13226	6.5
233.15331	38.1
235.14755	11.2
237.12723	4.2
237.16365	8.7
239.17844	5.0
243.11409	2.6
245.13280	4.1
246.13991	4.3
247.14780	6.7
249.16412	5.5
251.17908	4.3
252.18394	3.1
253.15927	3.8
253.19501	4.4
255.17389	4.7
257.13147	3.0
257.18945	3.5
258.14001	2.8
259.14694	4.4
261.16278	5.9
263.17883	6.3
265.19440	6.7
267.17410	4.0
269.18921	9.4
271.17270	2.6
273.18646	2.8
275.17776	5.2
277.19589	2.9
281.19107	5.9
283.20456	7.6
285.18591	5.2
287.20197	3.5
299.20105	4.3
309.21786	2.8
349.25217	3.9
367.25949	3.3
565.40466	3.2
583.40784	6.8
601.42230	13.5
613.97021	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05493	9.3
57.07061	10.4
59.05005	2.9
67.05491	15.4
69.03415	8.9
69.07052	9.0
70.02370	11.8
79.05503	17.6
79.05917	2.7
79.06071	1.7
79.53019	2.1
81.07044	26.4
83.04966	7.1
83.08593	3.5
85.06519	3.3
91.05473	27.1
91.16364	2.3
93.07032	39.8
95.04951	11.6
95.08607	26.0
97.06502	2.9
102.49201	2.1
103.05444	2.3
105.07020	51.0
106.07330	2.6
107.08594	22.2
109.06521	12.9
109.10130	11.5
115.05429	2.4
117.07018	11.9
119.08564	49.8
120.08878	3.6
121.06517	6.0
121.10140	23.6
122.10426	3.9
123.08038	21.7
123.11739	2.7
125.05980	5.7
128.06201	5.2
129.06973	8.9
130.07745	7.7
131.08553	18.6
133.06425	2.7
133.10150	22.1
134.10603	2.3
134.50146	2.1
135.08012	14.0
135.11694	7.0
137.09607	16.0
141.06956	3.8
142.07732	11.0
143.08565	15.3
144.09238	4.7
145.10117	32.3
146.10513	3.3
147.08052	21.8
147.11693	7.9
149.09610	6.7
149.13075	2.7
151.07527	16.7
151.11200	2.9
155.08525	8.1
156.09349	6.4
157.10118	22.8
158.10558	5.6
159.08080	4.6
159.11662	18.7
160.12067	2.4
161.09624	5.7
161.13251	8.4
163.11122	8.8
165.07024	4.2
165.09099	46.6
166.09399	2.8
167.08484	4.4
169.10059	12.7
170.10782	4.2
171.11676	10.1
172.12138	4.5
173.09607	4.8
173.13217	7.6
175.11134	8.5
175.14795	5.5
177.09184	3.5
179.08577	2.7
181.10027	6.3
181.12257	8.5
182.10913	3.9
183.11703	13.4
184.12035	3.6
185.13210	8.3
187.11113	4.8
187.14824	6.3
189.12755	5.2
191.14078	2.1
193.10178	4.0
193.12215	6.2
194.10764	3.4
195.11682	6.8
197.13231	7.8
198.13661	2.8
199.11145	4.7
201.12750	4.0
203.14333	15.2
207.11926	4.1
207.13788	8.6
208.12247	2.7
208.14384	3.0
209.13184	7.7
211.14815	6.2
213.12691	2.6
217.16031	3.3
219.11786	3.0
219.13774	2.3
221.13382	4.5
221.15335	100.0
222.15793	11.7
223.14796	3.9
224.15240	2.3
225.12637	3.3
234.13664	2.9
234.16064	4.7
235.14679	3.2
237.16281	3.3
247.16957	10.1
248.17432	4.0
259.16992	2.7
265.19455	3.5
274.19370	3.2
275.19781	3.7
287.20258	4.3
288.20438	3.7
299.20221	5.5
300.20679	2.9
301.21664	3.6
312.20905	3.7
313.21201	2.5
341.24469	3.3
352.23752	4.8
353.24359	5.9
367.26062	6.6
393.27295	2.5
425.26709	3.9
426.27051	4.4
427.27997	3.6
440.28983	4.0
441.29596	11.5
491.35168	10.1
509.35266	5.3
521.35669	11.9
583.41205	10.4
601.42139	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	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.17628	1.5
55.05508	15.2
57.03410	2.5
57.07055	4.9
67.05492	28.6
67.98881	1.5
68.49514	1.5
69.03413	2.5
69.06748	2.2
69.07062	26.7
69.78990	9.1
71.01325	2.6
73.02892	6.1
77.03941	2.0
79.05479	18.1
81.03400	2.1
81.07045	51.8
83.08601	12.0
85.02890	18.5
91.05469	17.0
93.07034	33.5
95.01307	7.4
95.04964	2.2
95.08593	100.0
97.10135	8.8
98.31552	1.5
103.03870	2.2
105.07010	35.7
107.07837	2.7
107.08576	62.2
109.10140	86.1
111.11712	9.1
113.02347	6.0
117.06956	5.1
119.08562	59.1
121.10125	58.6
123.08099	1.9
123.11687	29.7
125.13208	2.0
129.06956	2.5
131.03340	5.5
131.08527	8.6
133.10110	52.2
135.11679	46.7
137.13228	9.5
141.01788	13.2
143.08511	3.1
145.10127	19.0
147.11661	36.7
149.13235	21.7
151.14790	2.6
157.10089	4.7
158.10942	1.8
159.02873	3.3
159.11685	20.6
161.13226	37.1
163.14790	22.9
171.11678	3.8
173.13245	13.1
174.13811	1.6
175.14806	22.6
177.16368	25.1
179.17972	3.9
185.13138	2.3
187.14777	20.0
189.16351	84.1
191.17917	51.5
199.14783	2.1
201.16351	23.4
203.17934	39.7
205.19472	16.3
207.17444	6.1
213.16339	4.9
215.17923	21.9
217.19487	33.2
219.21112	3.9
227.17857	4.0
229.19518	17.5
231.21030	7.8
241.19438	3.2
243.21065	7.2
245.22662	8.3
255.21124	3.6
257.22586	10.5
259.24020	3.0
269.22552	5.7
271.24292	9.8
283.24274	2.1
285.25610	2.2
297.25745	9.4
311.27213	2.0
332.86087	1.6
337.28842	1.8
365.31918	4.5
371.59616	1.6
389.35983	1.7
407.36649	56.6
407.42062	3.4
425.37830	10.2
492.08612	1.8
506.00165	1.7
509.55713	1.7
562.66071	1.9
581.12402	1.7
601.41223	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	601.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80246	1.4
53.03947	1.7
55.05502	17.5
55.64423	1.3
56.89702	1.3
57.03423	3.3
57.07064	4.5
67.05493	30.8
69.03418	2.5
69.07053	29.1
71.01343	5.3
71.04976	3.9
71.60272	2.2
73.02905	8.1
79.05478	16.7
81.03411	2.2
81.07046	52.6
83.04997	2.4
83.08601	12.7
85.02885	21.3
91.05465	20.9
93.07036	39.1
95.01318	7.6
95.04954	4.4
95.08588	100.0
97.02852	2.2
97.10165	6.6
99.00808	1.6
101.02383	2.3
103.03933	1.8
105.07005	37.7
107.08574	58.4
109.06496	3.0
109.10136	75.0
110.66242	1.3
111.08032	1.9
111.11681	7.1
113.02348	6.0
117.07021	7.2
118.46053	1.6
119.08558	60.2
121.10126	55.6
123.04380	1.6
123.11676	27.9
125.09618	1.4
129.06972	3.4
130.07800	2.1
131.03368	5.5
131.08543	9.5
133.10110	47.8
135.08067	1.9
135.11671	44.3
135.12656	2.9
137.13246	10.0
141.01796	13.1
142.07761	2.3
143.08501	3.5
143.40430	1.4
144.09271	2.5
145.06442	1.9
145.10089	20.7
147.11667	37.9
149.13217	23.5
149.14302	2.2
151.14790	1.4
157.10120	5.9
158.10890	1.5
159.02895	4.1
159.11647	21.6
161.13234	39.2
163.14806	27.3
167.06996	2.1
167.50854	1.5
169.10081	1.5
171.11641	1.9
173.13199	14.7
175.11269	1.9
175.14801	25.3
177.16357	29.2
179.17958	3.4
185.13225	2.7
187.14804	18.4
189.16347	68.5
191.17917	46.8
199.14827	1.9
201.16348	18.0
203.17920	43.2
205.19446	13.9
207.17453	4.4
213.16258	3.3
215.17937	15.9
217.19475	37.0
219.21045	3.7
221.18941	1.5
227.18010	4.6
229.19458	13.3
231.21027	8.0
241.19635	2.6
243.21054	8.5
245.22542	6.9
255.21086	3.0
257.22595	12.4
269.22556	5.2
271.24231	9.6
283.24216	2.9
284.24890	1.6
297.07507	3.4
297.25763	8.6
311.27182	2.1
315.05069	2.3
330.08008	1.4
345.09512	2.2
365.32004	3.5
407.36652	46.9
408.36786	1.4
425.37622	7.3
601.16235	2.2
601.41028	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	601.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45404	1.0
53.03944	1.5
55.05506	3.9
66.04694	1.8
67.05508	6.5
68.99770	1.3
69.03403	1.8
69.07054	4.1
69.82750	3.6
69.83160	2.7
77.03931	1.4
79.05487	9.3
81.03409	1.4
81.07054	10.1
83.04990	1.2
83.08620	2.1
85.02885	1.5
91.05473	7.5
93.07046	7.1
94.04169	2.6
95.04960	4.2
95.08598	12.5
96.21529	0.8
97.06491	2.0
99.36128	1.1
105.07018	9.6
107.04940	6.5
107.08572	7.9
109.06509	17.1
109.10155	9.5
113.89536	1.1
119.08553	6.5
119.95068	1.2
121.06476	3.0
121.10129	7.9
123.04453	2.1
123.08031	1.4
123.11752	2.5
125.02338	1.4
125.06010	2.5
129.07051	1.5
131.08543	2.2
133.06526	2.6
133.10088	6.7
135.04411	2.5
135.08017	1.7
135.11678	4.4
137.05971	23.3
137.13229	1.2
139.07538	2.0
145.06424	1.1
145.10115	3.3
147.04408	3.7
147.11678	3.9
149.05986	4.3
149.13194	2.3
151.07570	2.0
153.05475	4.2
153.06670	0.9
155.07057	6.4
157.10104	1.8
157.78474	1.0
159.11691	3.2
160.05219	2.3
161.06004	4.6
161.13254	3.0
163.14804	3.6
165.05576	1.1
165.06993	1.3
165.09172	2.0
167.07028	100.0
169.10159	1.4
173.05988	1.9
173.13248	2.3
175.14818	2.9
175.99901	1.1
177.05458	17.6
177.16388	3.1
178.06210	2.5
179.07071	2.8
181.08601	2.2
187.07495	1.7
187.14771	2.1
189.16406	5.2
191.07115	1.4
191.14328	1.1
191.16290	0.9
191.17871	5.1
193.08597	3.9
197.06027	1.1
201.05534	1.9
201.16394	1.9
203.17966	4.6
205.19531	1.8
211.07457	1.8
215.17992	1.2
217.19521	2.9
225.09113	1.2
226.06258	1.6
229.19496	1.1
241.08710	1.4
243.21136	1.3
251.10707	1.3
257.08087	4.1
257.22800	1.3
266.05688	1.6
267.06592	1.5
269.08133	9.1
271.09656	2.7
281.07971	5.9
283.05972	8.5
283.09601	6.9
284.06952	1.9
285.07516	6.7
295.09573	1.8
297.07614	16.8
297.10849	2.1
299.09113	67.0
300.09909	19.9
307.09601	1.6
311.09167	2.0
315.12225	2.0
323.09204	2.0
325.13260	1.1
407.36658	4.1
421.12805	11.6
435.14267	1.2
437.15982	12.0
461.15942	29.7
477.15311	11.8
601.19330	2.0
601.37750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.2
57.03422	2.8
57.07060	4.7
60.90406	1.6
67.05497	24.7
69.03423	2.3
69.07056	25.6
69.38759	4.0
69.39172	13.6
71.01340	3.0
73.02901	7.4
79.05478	15.8
81.07046	42.9
83.08601	14.0
85.02897	16.9
87.63142	1.4
91.05468	17.5
93.07038	37.9
95.01314	9.6
95.04952	3.1
95.08595	100.0
97.02866	1.9
97.06520	2.2
97.10161	6.5
101.02356	1.7
103.05408	2.1
105.07024	33.6
107.08580	64.3
109.10141	78.7
111.08083	2.0
111.11706	6.1
113.02345	8.8
117.07021	4.0
119.08566	54.8
121.10133	57.8
122.10545	1.4
123.08070	2.4
123.11684	32.0
129.07014	1.8
131.03398	4.2
131.08557	8.9
133.10114	48.2
135.11676	45.1
137.13261	9.6
141.01796	15.2
143.08595	2.0
145.10117	17.0
147.10568	3.2
147.11668	38.0
148.18724	1.4
149.13225	25.1
151.11212	1.8
151.14743	2.9
153.73586	1.5
157.10057	3.0
159.02884	4.4
159.11688	21.3
160.12459	1.8
161.13235	35.4
163.14812	19.8
171.11609	3.9
173.13263	14.1
175.14798	22.7
177.05373	1.8
177.16367	24.1
178.06073	1.7
179.17993	3.3
182.77005	1.4
185.13274	3.4
187.14775	17.9
189.16357	73.4
190.16783	3.1
191.07057	2.1
191.17931	52.8
193.19450	2.0
199.14774	2.6
201.16364	21.2
203.17937	39.9
205.19508	18.0
207.17412	4.8
211.07430	4.3
211.15160	1.6
213.16408	4.0
215.17921	18.6
217.19496	31.5
219.21045	5.6
227.17924	5.0
229.19508	16.2
231.21101	7.7
241.19472	2.9
243.21063	9.4
245.22636	9.1
255.21120	3.4
257.22620	13.7
259.24237	3.2
269.22705	5.5
271.24210	9.4
283.24063	3.3
285.25711	3.0
297.25760	13.3
311.27359	2.3
315.05090	7.9
330.07367	2.9
337.28836	2.2
345.09695	11.9
346.09769	1.9
358.20853	1.6
365.32089	2.8
383.20596	2.3
407.36642	48.1
425.37469	7.1
583.15680	8.2
584.16809	2.4
601.17157	21.3
601.26074	2.9
601.41046	8.2
602.17126	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03942	1.7
55.05504	13.6
57.03421	2.1
57.07069	4.7
61.06314	0.6
65.03930	1.3
67.05494	27.1
69.03423	1.6
69.07056	27.2
71.01337	4.5
71.08602	1.0
71.60497	1.3
73.02905	6.5
77.03928	0.5
79.05479	16.2
81.03413	0.5
81.07044	47.3
83.04951	0.7
83.08607	15.1
85.02888	19.4
85.06503	0.6
91.05465	15.9
93.07031	34.2
95.01321	8.7
95.04944	1.9
95.08592	100.0
97.02881	1.7
97.06525	1.8
97.10154	6.8
99.00802	1.7
101.02374	1.2
103.03918	1.7
103.05455	0.8
105.07015	39.0
107.08577	59.1
109.06500	2.3
109.10139	76.3
111.08059	1.6
111.11719	7.0
113.02350	7.7
115.05410	0.7
116.06100	0.6
117.07012	4.3
119.08563	57.3
121.10125	54.8
123.00761	0.5
123.08049	1.5
123.11687	31.8
125.09570	0.6
125.13242	0.8
129.06990	1.5
129.65797	0.6
130.07710	0.6
131.03366	5.7
131.08536	10.3
133.10110	43.7
135.08159	0.8
135.11670	43.1
137.13237	11.4
141.01802	13.2
143.08551	3.7
144.09320	1.2
145.10095	16.2
147.11665	36.1
149.13232	23.5
151.07452	0.8
151.11157	1.5
151.14783	2.5
155.08554	0.8
156.09258	0.7
157.10115	3.5
159.02870	3.1
159.11665	22.4
160.12373	1.0
161.13239	36.3
163.14799	22.4
163.16185	1.0
165.16411	0.7
167.06985	1.2
169.10075	0.7
171.11653	4.0
172.12396	1.2
172.37621	0.6
173.13239	14.7
174.14052	0.8
175.14801	25.7
177.16359	30.2
179.14476	0.7
179.17973	3.8
180.44769	0.6
182.78438	0.6
183.11533	0.7
185.13231	3.4
186.13965	1.1
187.14780	19.0
188.15379	0.6
189.16354	69.4
190.16682	0.9
191.17918	53.7
197.13110	0.6
199.14824	3.1
201.16347	23.0
203.17926	39.5
204.18240	0.8
205.19493	18.7
207.17445	5.3
213.16348	3.4
215.15819	0.6
215.17920	18.1
217.19478	32.2
219.17523	0.9
219.21109	5.8
221.18933	2.1
227.17880	4.0
229.19481	16.1
231.21022	8.1
233.18994	0.8
241.19516	3.6
243.21046	9.3
245.22607	8.0
255.21088	4.7
257.22598	10.3
259.24222	1.3
269.22601	6.8
271.24170	9.6
283.24091	3.6
285.25797	2.8
297.22607	0.9
297.25769	12.6
299.09009	0.7
299.27490	1.0
311.27295	2.2
313.28842	0.9
315.26773	1.0
325.28879	0.7
337.28787	1.7
339.30447	0.7
345.09946	0.7
351.30704	1.3
365.32016	5.2
383.20474	2.0
407.36652	45.8
408.36694	0.9
425.37680	8.2
491.29980	0.7
583.40216	0.7
601.16486	0.8
601.41388	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	34.4
65.35566	28.9
79.05464	55.2
81.07057	63.6
83.08600	27.3
89.05980	38.3
91.05462	49.4
93.06987	46.8
95.08582	48.8
98.20676	62.9
105.06994	43.9
107.08575	87.7
112.48038	29.4
119.08585	91.5
121.10116	52.3
133.08563	64.1
133.10118	46.8
135.08087	49.4
135.11693	54.0
143.08514	35.1
145.10120	73.8
147.08044	46.7
147.11658	49.4
149.09645	32.2
157.10129	40.2
165.09126	51.4
171.11678	59.6
181.10204	29.4
181.64397	29.6
221.15343	100.0
247.16852	33.3
263.14456	36.4
266.70285	35.0
352.24036	74.3
511.86591	30.6
600.41022	54.4
605.43604	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.0
57.07063	14.2
63.95951	9.6
67.05497	13.7
67.27405	10.3
69.07043	20.0
70.75253	21.2
70.75605	22.8
74.93757	10.4
79.05483	9.9
81.07047	35.4
85.06515	13.8
89.06021	32.7
91.05479	16.3
93.07017	48.5
95.08579	25.1
97.06556	10.9
105.07026	27.4
107.08578	29.1
109.10144	27.2
114.72041	11.6
117.06978	25.3
119.08543	55.0
121.10140	21.6
123.08044	30.1
125.05954	13.3
131.08560	20.9
133.08603	20.1
133.10121	28.9
135.11661	13.6
137.09567	20.4
143.08585	20.2
144.09314	12.6
145.10081	33.2
146.10895	13.2
147.08040	22.7
147.11667	11.1
148.34604	14.2
157.10068	51.9
158.10870	17.3
159.08122	14.9
159.11722	27.6
160.08887	12.3
160.12025	11.9
161.09616	12.9
163.11078	14.7
165.09068	43.4
171.11632	32.8
173.13274	15.1
175.11197	15.7
175.14777	13.2
181.12216	14.6
183.11667	14.5
185.13231	14.9
189.12683	16.2
190.13522	15.5
195.11739	23.2
197.13278	25.4
201.12793	12.0
203.14299	25.4
209.13208	14.2
221.15269	100.0
234.16125	28.2
243.36150	13.2
247.16977	24.4
271.16858	13.3
299.20193	12.9
340.23950	12.8
352.23962	76.3
364.13467	13.4
389.39969	14.9
408.21780	11.5
507.34799	14.8
520.35413	89.3
600.41211	36.4
600.50238	15.2
619.54694	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	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.05498	29.1
57.03427	5.7
57.07060	15.1
65.03925	6.6
67.05491	46.6
69.03411	19.3
69.07050	26.1
69.51689	40.9
71.04967	9.8
73.02921	4.7
77.32927	4.1
79.05482	50.8
81.03405	15.9
81.07054	45.0
83.04964	19.7
83.08582	16.5
85.02859	5.9
85.06532	9.4
91.05471	67.7
93.07028	81.6
95.04922	30.9
95.08589	51.3
97.06522	22.9
98.20657	4.7
103.05422	4.9
105.07030	94.7
107.04967	6.0
107.08585	69.5
109.06487	27.4
109.10139	34.9
111.04436	5.3
111.08122	6.8
113.09660	7.3
115.05452	5.1
116.06260	4.4
117.07001	24.2
118.83092	4.4
119.08577	79.9
121.06451	12.6
121.10126	90.6
123.08071	25.7
123.11674	12.3
125.05984	9.4
125.09637	11.3
128.06194	12.0
129.06976	19.3
130.07780	9.5
131.08557	45.6
133.06514	5.2
133.10088	46.2
135.08026	17.1
135.11694	25.0
137.09601	18.9
139.11176	9.0
141.07019	6.7
142.07753	21.6
143.08556	41.2
144.09311	8.9
144.82133	4.5
145.06441	5.4
145.10112	61.4
147.08043	22.4
147.11661	24.3
149.09618	32.2
149.13277	6.7
151.07513	14.7
153.09062	7.9
154.07756	4.9
155.08516	16.5
156.09319	20.0
157.10078	44.9
158.10863	4.8
159.08058	17.5
159.11713	30.0
161.09579	13.7
161.13240	13.1
163.11180	27.1
165.06931	7.7
165.09113	14.1
167.07120	5.5
167.08522	18.6
167.10667	81.3
168.09349	5.8
169.10100	27.8
170.10870	9.2
171.11641	24.6
173.09570	13.2
173.13249	14.7
175.11096	5.9
175.14822	8.4
179.08543	10.8
181.10110	16.5
181.12218	19.2
182.10869	7.5
183.08055	7.5
183.11662	24.2
185.09622	9.9
185.13222	20.6
187.14752	7.4
189.12715	16.2
191.14236	9.7
192.09325	5.2
192.94949	5.2
193.10115	12.9
194.10974	9.9
195.11642	22.5
197.13254	25.1
199.14763	15.6
201.12639	8.3
203.14270	8.4
205.10100	8.1
207.11670	19.5
207.13754	16.6
208.12372	10.5
209.13252	24.3
211.14758	12.8
213.12677	6.1
215.14195	10.0
219.11703	5.9
220.12532	6.5
221.13176	13.9
221.15308	34.0
223.14761	18.3
225.12691	12.3
231.11687	8.8
232.75914	5.2
233.13150	11.9
233.15283	62.3
235.14844	13.5
237.16425	8.2
239.14284	6.8
245.13167	8.5
247.14603	7.3
249.16426	8.4
251.17934	9.2
255.17365	5.1
257.19083	7.0
259.14886	8.5
261.16351	6.2
263.18152	5.2
268.18530	4.9
271.14664	6.0
272.15417	5.4
272.40564	5.3
273.15988	7.0
273.18585	10.8
275.20255	7.0
277.15829	5.5
281.18927	9.2
283.20456	7.5
287.20114	9.3
297.18616	5.7
299.09149	8.2
299.20065	11.2
360.32834	5.3
361.25104	8.8
365.24664	6.5
391.25977	7.3
431.28519	4.9
507.34631	5.5
563.38757	7.2
581.39520	20.5
599.12677	26.4
599.40924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
54.56886	1.3
55.05494	4.4
57.07084	10.4
57.42391	1.3
59.04992	2.9
59.05283	1.3
60.35756	1.3
67.05498	11.4
69.03420	7.9
69.07045	3.9
71.04971	1.7
71.54937	1.5
71.55306	1.8
79.05467	11.9
81.07044	16.6
82.90936	1.3
83.04967	6.2
83.08599	1.7
83.29671	1.2
85.06539	5.2
89.06020	3.4
91.05466	24.1
92.06266	2.2
93.07035	31.1
94.07363	2.0
95.04960	11.3
95.08595	18.3
95.57943	1.4
97.06514	4.7
103.26080	1.2
104.76134	1.3
105.04493	1.5
105.07015	45.0
107.08589	18.3
109.06497	10.3
109.10176	7.3
111.08071	2.5
117.06992	9.3
119.08568	49.5
120.08818	1.8
121.06505	7.9
121.10126	22.2
122.07301	2.0
123.08056	18.4
125.05978	8.3
128.06178	4.1
129.07013	7.5
130.07765	2.2
131.08545	21.5
132.09346	2.6
133.06471	3.7
133.08595	2.1
133.10107	19.3
135.08040	14.8
135.11661	6.5
137.05956	1.8
137.09595	14.3
139.07541	1.8
141.06984	3.4
142.07773	10.8
143.08543	20.2
144.09293	6.0
145.06429	2.2
145.10103	32.5
147.08035	28.6
147.11676	5.9
148.08411	2.4
149.09601	8.3
151.07523	11.6
151.11143	2.8
153.07088	2.1
155.08521	10.5
156.09340	7.6
157.10127	31.9
158.10742	4.5
159.08054	6.3
159.11691	21.0
160.08766	1.4
161.09612	9.8
161.13245	7.5
162.10269	1.7
163.11163	16.6
165.07001	2.3
165.09108	44.3
166.09441	4.8
167.08531	3.1
168.09323	3.0
169.10107	11.9
170.10847	4.3
171.11665	17.3
172.08675	2.0
172.12386	3.2
173.09618	6.0
173.13225	6.0
175.11186	17.1
175.14777	3.0
176.11678	1.9
177.09137	3.4
177.12730	2.0
178.09897	2.1
179.08557	3.5
180.09349	2.0
180.11401	2.7
181.10127	7.0
181.12199	15.4
182.10857	4.4
183.11725	13.3
183.98315	1.4
184.12303	3.2
185.09625	3.7
185.13210	11.1
186.10323	1.6
186.13852	1.5
187.11098	6.7
187.14804	3.0
188.11935	1.7
189.12701	7.5
190.13478	9.5
191.10646	4.2
191.14325	1.6
192.09392	1.5
193.10112	4.4
193.12225	11.1
194.10948	2.3
195.11644	7.2
195.13713	2.9
196.12344	3.8
197.09587	2.3
197.13272	9.2
199.11168	6.2
200.11719	1.5
201.12724	6.3
203.14273	15.4
204.14717	2.5
207.11630	5.1
207.13760	9.0
208.12524	3.1
208.14520	8.9
209.09431	1.9
209.13342	7.2
209.15176	2.4
210.13908	3.2
211.11099	3.1
211.14813	6.8
212.15500	2.1
213.12720	3.1
215.14166	1.9
216.85451	1.8
219.11789	2.9
219.13795	10.3
221.13425	4.3
221.15331	100.0
222.13998	2.0
222.15775	14.1
223.14801	4.8
225.12730	3.6
225.16339	2.9
227.14182	2.2
229.15875	2.5
231.13770	2.3
232.12268	1.7
233.13271	1.9
233.15392	2.1
234.13956	3.0
234.16092	16.3
235.14751	2.3
237.12640	2.1
237.16357	2.2
238.13512	1.6
239.18108	2.0
241.12181	1.7
241.15837	2.3
243.13676	2.1
247.14729	1.9
247.16910	32.0
248.17404	4.2
249.12770	1.7
249.16261	1.7
251.14297	2.1
253.15845	3.3
259.14633	1.6
259.17017	4.1
260.17957	2.3
263.18137	1.5
265.16061	1.9
267.17270	1.6
269.15359	2.8
269.19016	1.9
273.18561	1.8
274.19308	12.7
279.17578	2.8
279.20773	1.7
281.18839	1.6
283.16983	1.6
285.18494	2.8
286.19156	4.9
287.19995	12.5
297.18658	2.6
297.22336	1.6
298.19299	2.1
299.20020	14.6
300.20563	4.4
307.20706	1.4
310.19135	2.6
311.19931	4.0
312.20749	6.6
313.21576	6.4
325.21527	14.6
326.21854	1.8
327.23111	3.2
337.21500	2.3
339.23059	4.5
340.24008	14.5
352.23923	21.5
353.24588	2.3
365.24734	6.3
366.25354	3.6
377.24524	1.6
379.26352	3.9
387.25275	4.4
391.26163	4.7
392.26947	3.3
400.26035	2.4
402.27728	2.5
413.27045	6.6
419.29291	7.0
420.30087	4.6
425.26703	5.4
426.27414	4.2
427.28452	15.1
428.28796	3.7
440.29187	42.4
442.30688	2.7
454.30811	1.8
505.32730	1.5
507.34201	1.8
508.35016	5.7
520.35382	29.1
521.35950	3.3
552.20813	1.6
582.40674	2.5
585.39545	3.3
600.41510	38.4
601.42792	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	599.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
54.17459	2.2
55.01849	3.1
55.05503	11.5
57.03405	2.1
57.07069	11.8
59.04996	3.9
60.03603	2.1
67.05499	26.9
69.03423	12.8
69.07057	16.0
70.18910	12.6
78.51756	1.9
79.05477	25.1
81.03391	4.7
81.07042	32.2
82.83781	2.5
83.04987	12.9
83.05415	2.3
83.08600	9.5
85.02881	2.8
85.06541	6.2
86.56464	2.2
91.05463	36.5
93.07033	56.6
95.04961	21.0
95.08588	29.6
97.05949	2.1
97.06512	12.9
97.10169	2.6
103.05447	4.3
105.07014	59.8
107.04963	3.3
107.08582	45.8
109.06496	14.3
109.10137	18.0
111.08053	2.6
115.05457	5.4
116.06251	3.5
117.07003	10.5
119.08561	47.4
121.06477	13.3
121.10129	54.9
123.08062	20.6
123.11684	5.9
125.05988	7.5
125.09639	7.3
128.06201	5.6
129.06979	10.4
130.07770	4.9
131.08543	33.0
133.06500	6.8
133.10118	30.9
135.08047	18.1
135.11697	12.8
137.09612	12.1
139.11192	3.2
141.07001	7.9
142.06828	2.3
142.07732	11.7
143.08534	27.3
143.58435	2.2
144.09320	8.1
145.06505	2.5
145.10107	38.6
147.08026	14.3
147.11629	12.6
149.09607	24.2
151.07520	24.2
151.11130	2.6
153.07065	3.0
155.08586	11.3
156.09323	14.1
157.10100	32.2
158.10910	3.1
159.08072	11.7
159.11717	24.4
161.09587	13.9
161.13252	7.5
163.11168	15.6
165.06992	5.7
165.09084	23.1
166.07739	2.9
167.07314	2.3
167.08553	10.1
167.10643	45.2
167.11983	2.4
168.09311	5.5
169.10110	17.0
170.10950	6.0
171.11682	22.3
173.09608	8.6
173.13263	15.7
175.11197	7.6
175.14847	4.1
177.09073	2.4
177.12752	4.9
178.07845	2.4
179.08588	6.2
180.09280	3.5
181.10208	6.5
181.12210	14.5
182.10925	9.5
183.11668	18.5
185.09688	6.2
185.13206	11.4
187.11160	7.5
187.14828	4.4
189.12694	14.7
191.08559	3.7
191.14380	6.7
192.09486	2.8
193.10185	8.9
193.11864	2.8
194.10976	5.0
195.11722	17.2
196.12445	5.3
197.09738	3.2
197.13205	18.2
198.10464	3.1
199.11163	5.5
199.14827	9.4
200.11934	2.5
201.12796	5.3
201.16426	2.9
203.14340	10.3
205.10144	4.8
206.10866	4.1
207.11717	10.9
207.13806	11.6
208.12471	3.6
209.13260	12.4
209.15158	3.8
210.13864	2.9
211.11253	3.7
211.14754	10.5
213.12755	4.7
213.16396	4.7
215.14297	6.4
219.11737	5.2
220.12444	4.1
221.13289	9.3
221.15410	43.9
222.13982	3.4
223.14836	8.0
225.12767	6.7
227.14378	3.3
231.11708	4.1
232.12506	4.6
233.13246	6.6
233.15315	31.1
234.13864	2.3
235.14839	6.6
241.15805	3.4
245.13274	3.6
247.14763	5.1
247.16994	3.5
249.16498	4.2
251.14313	3.0
255.17445	4.2
257.19031	6.8
259.14813	3.1
261.16351	3.1
265.15836	2.4
269.19006	2.7
273.16028	2.8
273.18677	5.6
281.19037	7.3
283.20532	2.6
285.18671	4.3
286.19659	2.9
287.20142	4.1
289.19528	2.6
299.20221	8.1
311.20117	3.5
343.22833	3.8
364.24319	4.4
365.24829	3.4
373.25256	2.4
377.24905	2.6
391.26193	4.5
489.33493	3.7
507.34671	33.3
563.38684	6.8
581.39868	20.5
599.13153	11.1
599.40924	100.0
600.40942	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	599.1407
Annotation	Yunnaneic acid F
Peak:m/z	Relative Intensity
62.97925	2.3
65.03911	2.7
67.05444	2.0
69.03406	4.3
70.06602	2.1
71.59538	4.4
72.33718	1.9
79.05500	2.4
81.07032	2.5
84.08176	2.1
85.02908	4.3
91.05441	5.2
95.04948	2.6
95.08577	2.6
97.02879	18.5
105.06998	3.0
107.04929	6.8
111.04397	2.1
115.03938	2.4
119.04937	8.8
123.04373	2.5
127.03891	28.5
128.04237	8.2
129.04335	3.4
131.04968	2.1
135.04440	4.3
137.05928	3.3
139.07469	2.7
140.73203	2.1
145.02827	9.6
147.04393	15.5
149.05954	3.8
151.03828	3.4
151.07542	2.7
153.05464	2.6
163.03886	13.1
167.03458	4.8
167.04842	3.5
167.07033	14.7
169.05077	2.6
177.05479	16.6
178.06136	10.7
179.07068	4.0
181.04970	4.8
181.06494	2.4
181.08578	5.0
189.63602	2.0
191.07033	6.2
193.05017	2.5
195.06505	3.6
197.05983	8.8
199.03883	3.2
205.04987	6.6
213.05464	7.7
225.05487	7.2
229.04863	3.8
237.05536	2.5
241.04961	7.0
242.91078	2.3
243.06477	13.7
245.04327	2.8
257.04504	5.6
269.04596	5.0
297.03952	4.1
301.06854	3.9
303.05038	6.9
344.08969	3.1
359.08630	2.8
372.55399	2.5
373.07098	2.7
377.10056	3.8
387.08737	4.3
388.09415	4.8
405.09955	3.2
409.12723	5.0
415.08328	5.4
416.09213	3.0
417.05466	12.3
419.07428	5.2
430.10120	2.5
433.08942	11.1
434.09946	4.9
435.10608	3.0
443.07462	5.2
445.09030	3.9
447.10770	29.2
448.11472	6.4
449.12155	3.3
461.08484	5.2
465.12070	13.1
467.09372	6.5
471.06943	3.1
473.12231	8.2
487.06577	7.4
493.11295	3.2
509.14417	64.2
517.11536	5.4
519.12836	8.3
535.12256	98.4
536.13013	4.4
537.14117	3.9
539.11737	7.9
553.13245	11.5
563.11688	21.9
581.12830	43.8
599.13837	100.0
600.14044	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	599.4089
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03940	3.6
55.01850	2.7
55.05511	11.7
56.35151	1.7
57.07053	6.5
59.04986	2.0
65.03913	2.4
67.05495	17.9
69.03418	9.6
69.07061	15.8
72.37092	2.0
76.46248	1.8
78.65574	2.0
79.05485	20.8
81.03418	2.1
81.07052	26.9
83.04957	6.0
83.08607	7.4
85.06536	4.1
91.05467	29.2
93.07033	42.2
95.04964	15.2
95.08602	26.4
97.06516	7.0
103.05452	3.0
105.07018	49.0
107.04991	2.2
107.08590	30.4
109.06514	9.6
109.10154	14.8
111.08067	2.5
111.11671	2.4
113.09618	2.3
115.05446	2.9
117.06994	11.1
119.05004	2.0
119.08565	38.3
121.06499	8.7
121.10129	58.5
123.08042	19.1
123.11678	6.0
125.09651	5.2
128.06198	4.7
129.07027	8.8
130.07770	4.6
131.08565	23.4
133.06447	3.3
133.10121	25.7
135.08028	12.3
135.11681	9.2
137.09587	6.1
139.11151	5.6
141.06979	3.8
142.07809	12.6
143.08533	14.5
144.09341	5.2
145.10100	31.5
147.08006	14.7
147.11673	8.8
149.09628	16.9
149.13261	2.7
151.07494	18.6
155.08537	7.8
156.09340	8.2
157.07556	1.7
157.10144	25.6
158.10922	4.6
159.08047	11.0
159.11720	17.9
161.09604	4.6
161.13248	7.4
163.11200	5.3
163.14850	2.1
165.07022	3.4
165.09161	13.0
167.08472	5.3
167.10661	82.2
169.10117	12.8
170.10910	4.4
171.11667	19.0
172.12442	2.0
173.09656	6.2
173.13239	14.7
175.11169	3.6
175.14853	8.5
176.43571	1.8
179.08563	3.9
179.10735	2.0
180.09279	2.3
181.10075	9.1
181.12256	7.8
182.10869	5.4
183.11671	13.2
185.09596	6.1
185.13272	8.4
187.11188	5.9
187.14792	6.0
189.12769	8.9
191.14314	7.5
193.10112	6.0
194.10870	2.9
195.11700	11.2
195.13571	2.1
196.12399	3.2
197.09564	2.5
197.13264	9.9
199.11206	2.0
199.14845	5.8
201.12729	3.9
201.16432	3.0
203.14320	8.1
205.15775	3.5
206.10934	4.8
207.11694	7.8
207.13817	7.0
208.12535	3.5
209.13281	11.1
209.15248	5.0
211.11131	2.3
211.14813	6.2
213.16382	2.6
215.14313	6.2
217.10034	2.2
217.15932	3.8
218.10895	2.2
219.11710	4.0
220.12495	2.7
221.13228	9.3
221.15379	29.0
223.14824	5.9
225.12724	2.6
225.16447	2.8
227.14445	3.8
231.13742	2.6
231.17490	2.2
233.13235	4.9
233.15326	38.5
234.13937	2.3
235.14859	7.3
237.16487	4.0
239.14211	3.6
243.11676	3.0
245.13303	2.4
247.14812	4.0
249.16318	3.2
251.18237	2.3
253.15997	2.2
253.19617	2.5
257.13220	2.5
259.14624	3.4
261.16638	2.8
265.15753	3.6
265.19632	2.2
269.18961	2.1
281.19214	3.1
283.20734	2.3
287.20233	3.4
289.19806	2.3
299.20117	4.4
311.20178	3.2
364.23511	2.2
365.24710	2.9
377.24738	3.1
391.26181	4.3
393.23862	2.3
507.33807	2.7
563.38867	4.6
571.41333	4.1
581.39789	26.6
599.13348	2.5
599.40863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97925	2.3
65.03911	2.7
67.05444	2.0
69.03406	4.3
70.06602	2.1
71.59538	4.4
72.33718	1.9
79.05500	2.4
81.07032	2.5
84.08176	2.1
85.02908	4.3
91.05441	5.2
95.04948	2.6
95.08577	2.6
97.02879	18.5
105.06998	3.0
107.04929	6.8
111.04397	2.1
115.03938	2.4
119.04937	8.8
123.04373	2.5
127.03891	28.5
128.04237	8.2
129.04335	3.4
131.04968	2.1
135.04440	4.3
137.05928	3.3
139.07469	2.7
140.73203	2.1
145.02827	9.6
147.04393	15.5
149.05954	3.8
151.03828	3.4
151.07542	2.7
153.05464	2.6
163.03886	13.1
167.03458	4.8
167.04842	3.5
167.07033	14.7
169.05077	2.6
177.05479	16.6
178.06136	10.7
179.07068	4.0
181.04970	4.8
181.06494	2.4
181.08578	5.0
189.63602	2.0
191.07033	6.2
193.05017	2.5
195.06505	3.6
197.05983	8.8
199.03883	3.2
205.04987	6.6
213.05464	7.7
225.05487	7.2
229.04863	3.8
237.05536	2.5
241.04961	7.0
242.91078	2.3
243.06477	13.7
245.04327	2.8
257.04504	5.6
269.04596	5.0
297.03952	4.1
301.06854	3.9
303.05038	6.9
344.08969	3.1
359.08630	2.8
372.55399	2.5
373.07098	2.7
377.10056	3.8
387.08737	4.3
388.09415	4.8
405.09955	3.2
409.12723	5.0
415.08328	5.4
416.09213	3.0
417.05466	12.3
419.07428	5.2
430.10120	2.5
433.08942	11.1
434.09946	4.9
435.10608	3.0
443.07462	5.2
445.09030	3.9
447.10770	29.2
448.11472	6.4
449.12155	3.3
461.08484	5.2
465.12070	13.1
467.09372	6.5
471.06943	3.1
473.12231	8.2
487.06577	7.4
493.11295	3.2
509.14417	64.2
517.11536	5.4
519.12836	8.3
535.12256	98.4
536.13013	4.4
537.14117	3.9
539.11737	7.9
553.13245	11.5
563.11688	21.9
581.12830	43.8
599.13837	100.0
600.14044	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	599.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99009	1.1
55.01862	1.0
55.05502	11.2
56.05038	1.2
69.03430	2.1
69.62638	7.7
70.06597	1.8
72.67033	0.9
79.05496	1.7
80.17889	1.2
81.03428	1.1
81.07063	2.0
82.06577	2.0
83.04977	4.0
83.08608	6.8
85.02885	1.3
85.06541	1.4
88.85924	1.0
91.05480	1.9
95.04926	2.0
97.02900	3.1
97.06523	1.8
98.09676	1.2
100.07623	6.5
100.11245	29.6
107.04929	2.1
111.04433	11.2
112.07607	3.2
119.04935	1.8
119.08540	1.3
121.06495	2.3
126.09148	1.4
127.03956	1.3
128.07051	8.1
135.04401	2.3
137.05994	2.8
139.07545	3.4
139.08598	1.0
140.07063	4.5
145.02814	1.6
147.04451	3.7
147.11728	1.1
149.05984	2.7
151.03897	2.2
151.07549	5.7
153.05420	2.1
157.06525	1.7
161.06013	1.9
163.03935	3.7
165.05475	2.4
167.04903	1.3
167.07033	10.4
168.07870	1.2
169.06450	1.5
175.03926	1.5
177.05432	6.1
178.06206	9.5
179.07051	3.8
181.06537	1.3
181.08597	3.8
182.15385	30.0
182.16905	1.6
183.04536	1.1
185.06010	2.0
191.06985	8.9
192.07910	1.3
192.13850	1.2
193.05020	2.6
194.09415	3.6
195.06573	3.7
197.05939	7.0
199.04041	1.2
203.03429	1.5
205.04958	5.4
209.16469	6.1
210.14861	35.9
212.04753	1.4
213.05605	3.4
223.07616	1.4
225.05438	5.8
227.03326	1.8
227.07072	3.3
227.17520	2.4
228.15862	6.0
229.04958	2.3
237.05389	1.8
241.04988	4.7
243.06541	12.2
245.18605	3.1
255.02820	1.7
257.04462	3.6
265.05066	3.1
267.06381	1.5
269.04489	4.9
277.05020	1.6
281.04364	1.9
283.06055	2.2
289.27841	1.0
293.04340	1.6
295.06219	1.6
297.03912	3.1
298.04987	1.4
312.06305	2.3
317.08057	1.2
325.03610	1.5
328.07111	1.3
331.09854	1.2
333.07620	1.3
336.22815	2.5
337.21091	7.4
344.09177	2.4
349.10959	1.4
355.06079	1.7
355.22272	9.6
359.09329	1.7
360.09863	1.5
369.07751	1.2
372.06296	1.9
373.07083	3.0
387.04526	2.3
387.08905	2.4
388.09454	3.2
389.06467	2.2
397.07431	2.0
399.04691	1.6
400.06000	2.3
401.06525	2.4
402.11057	1.7
405.09778	1.7
408.46866	1.3
409.12708	2.8
415.08295	3.9
416.09048	1.9
417.05750	11.7
419.07391	3.0
419.12241	1.4
425.06442	2.1
431.11472	1.6
433.09012	6.4
434.10025	3.9
435.10995	2.9
436.31845	2.4
437.08746	1.3
441.05853	2.2
443.07379	8.9
445.09106	1.8
447.10788	20.0
448.11423	3.8
449.12253	2.1
451.09839	1.9
453.05991	1.9
453.34320	2.1
454.33136	2.4
457.09433	1.3
459.06970	1.5
461.08408	2.5
465.11679	11.0
469.05261	1.8
471.06833	6.3
471.35263	2.0
473.12354	4.2
475.10046	1.4
484.08051	1.4
485.08713	1.6
486.09619	4.7
487.06171	5.4
491.13458	2.3
502.08594	2.5
509.14371	35.4
517.11505	7.1
519.12695	14.3
527.08710	1.4
535.12317	56.9
536.12604	2.6
537.13892	5.2
539.11871	8.1
545.10748	3.1
553.13190	6.1
563.11877	32.3
563.38043	4.3
564.12469	1.4
581.12817	60.4
581.38776	17.7
582.12933	2.2
599.13892	100.0
599.39990	24.2
600.14417	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	599.1389
Annotation	Yunnaneic acid F
Peak:m/z	Relative Intensity
62.70298	0.7
68.99778	1.0
71.63860	1.0
79.05470	0.8
89.03898	1.3
90.88283	0.6
91.05491	1.5
92.82434	0.6
97.02885	0.9
107.04932	2.4
113.57396	0.7
117.03396	2.2
121.06479	1.1
123.04375	0.8
135.04405	1.7
136.05228	0.7
137.05957	0.8
139.07539	1.4
145.02821	5.3
147.04401	2.9
148.05144	0.9
149.05991	2.3
151.03888	1.0
151.07510	4.0
153.05464	2.1
161.05931	1.0
162.03143	1.0
163.03920	3.0
164.04668	1.8
165.05406	1.7
167.07025	5.6
168.07796	2.5
169.06381	0.7
173.05968	1.1
175.03871	1.2
177.05447	9.9
178.06232	6.5
179.07016	3.0
181.06435	0.8
181.08542	3.6
183.04402	0.8
185.06035	1.2
187.07556	0.9
189.05469	0.8
191.03494	1.8
191.07010	6.5
191.42801	0.7
192.07713	1.2
193.04990	2.4
194.09399	0.9
195.04723	1.0
195.06508	4.6
195.08028	1.0
197.05974	2.2
199.03941	1.8
201.05527	1.1
203.03386	1.3
205.05002	3.5
209.05806	0.8
213.05424	5.9
215.07094	1.0
223.04015	0.7
225.05495	4.3
227.03404	2.0
227.06972	1.1
229.04901	1.7
237.05418	1.1
239.03336	1.1
241.04909	5.8
243.06494	8.5
244.03723	0.9
245.04526	1.2
253.04958	1.4
255.02945	2.1
255.06624	1.1
256.03708	0.8
257.04407	2.9
265.04953	1.6
267.06482	1.0
268.03598	1.3
269.04443	6.2
271.02472	1.1
272.03067	1.3
273.03864	1.6
279.02774	0.9
281.04440	1.4
282.05185	2.0
293.04517	1.7
295.05804	1.3
297.03732	4.5
301.08295	0.9
309.03922	1.1
312.06238	1.9
315.06537	0.7
321.04037	1.4
323.05859	0.8
327.06317	1.0
343.05844	0.8
345.07523	2.1
346.08542	0.7
349.10925	0.8
359.05334	0.9
359.09296	1.2
361.07092	1.0
363.08752	1.0
369.07507	0.9
371.05087	1.1
372.06009	0.8
373.06824	1.6
375.08832	1.0
377.06204	1.0
377.10541	0.9
383.05682	1.4
385.07019	0.8
387.04434	1.1
387.08603	2.0
388.09692	0.8
389.06296	1.6
390.07449	0.9
391.07986	1.3
401.06509	2.4
405.09531	2.2
409.12802	3.3
411.04715	1.4
413.06464	1.5
415.08228	2.5
416.08853	4.9
417.09988	1.5
418.06207	1.4
418.10907	2.1
419.07101	4.0
421.04849	2.1
421.09225	2.9
429.09644	1.3
431.07065	1.2
433.04416	1.1
433.09171	2.4
434.09885	8.0
435.10913	1.5
436.11462	1.5
437.08420	5.9
441.05478	1.3
443.07477	1.9
447.10831	4.0
448.11575	7.4
449.12375	6.4
451.09897	1.0
453.05634	0.9
455.07629	1.9
457.08960	1.4
459.06305	1.0
461.08621	2.2
463.09952	4.1
465.11804	8.9
468.08350	1.0
471.07034	3.2
473.12567	1.0
476.10876	1.1
477.11768	1.1
485.08533	0.9
486.09448	2.4
487.06363	7.8
491.13202	5.1
493.11133	2.7
502.08966	2.0
503.09695	1.0
509.14362	26.3
510.14819	1.2
517.11163	9.0
519.12909	8.5
535.12317	45.5
536.12750	1.1
537.13837	7.1
539.11780	8.2
545.10645	1.6
553.13293	5.8
563.11707	22.5
581.12842	47.2
582.13641	1.5
599.13818	100.0
600.14392	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	598.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01868	10.6
55.05502	5.5
57.03421	3.0
57.07069	23.4
61.02909	1.3
65.50076	1.1
67.05501	10.2
69.03422	23.5
69.07061	8.8
69.43949	11.8
70.06588	2.8
71.04995	5.9
71.08620	17.4
73.02911	4.4
79.05482	3.8
81.03410	27.4
81.07040	14.2
83.08610	8.7
84.04497	6.9
85.02901	12.0
85.06512	1.8
85.10162	7.5
88.07600	1.8
91.05455	4.0
93.07033	8.7
95.04951	2.7
95.08593	16.9
97.02882	25.2
97.06502	2.0
97.10154	4.6
98.20712	1.8
99.04444	45.4
100.04750	1.2
105.07018	3.7
105.98519	1.2
107.08571	4.4
109.02868	41.0
109.10137	8.9
111.04379	1.2
119.08570	5.1
121.10140	6.2
123.11656	4.1
127.03900	100.0
129.06985	1.5
131.08575	3.3
133.10097	2.9
135.11737	2.0
143.08536	3.2
145.04942	15.5
145.10094	3.1
149.02365	1.3
149.05959	5.7
149.09709	1.9
151.07578	1.7
151.88187	1.2
155.08533	1.5
157.10110	3.6
159.11661	2.2
161.09543	1.4
167.10669	5.0
169.10158	1.3
171.11656	2.3
173.09544	1.5
179.08530	1.4
183.11554	1.3
189.96790	1.1
193.05029	1.6
195.11705	1.5
207.11604	1.7
209.13016	2.0
221.15353	4.0
233.15326	2.3
236.11839	1.2
239.23680	17.7
244.12245	1.4
257.24829	2.3
284.29413	4.3
311.25696	1.6
313.27261	2.2
335.26056	1.6
341.10162	3.1
383.27866	27.4
401.28931	34.9
436.07059	1.5
450.08832	2.2
460.11612	1.5
598.12817	12.7
598.36920	10.1
599.12769	2.1
599.40344	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	598.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81450	2.1
59.15656	1.7
67.10025	1.9
69.03410	3.0
69.42892	19.4
69.43301	2.6
70.06588	2.6
79.05482	3.1
80.09054	1.8
81.03412	11.5
85.02905	9.4
89.03887	2.8
91.05463	2.0
97.02865	12.8
98.20763	4.8
103.05447	2.5
105.07024	2.2
107.04961	7.6
109.02827	3.2
115.05439	5.8
117.03340	5.4
117.06994	9.8
118.03696	2.4
123.04416	2.4
124.05186	3.2
127.03898	100.0
128.04243	30.0
128.06239	2.2
129.06998	2.5
131.08519	3.1
133.06465	3.0
139.14612	2.2
141.07024	2.1
145.02821	11.7
145.06458	30.2
146.03175	6.1
149.05965	2.7
153.46429	2.3
155.05963	2.9
156.05678	5.3
159.08073	3.7
161.06021	3.1
167.07001	38.4
173.05946	37.6
177.05449	32.9
178.05791	16.4
180.08615	2.7
184.05223	3.4
187.07518	4.2
190.06219	30.5
202.06264	3.0
203.06985	3.6
205.08575	75.9
217.08597	29.5
219.17517	2.1
235.09612	21.9
247.09712	4.5
265.10699	19.2
291.10135	2.3
330.10873	4.0
331.11511	2.5
350.10925	2.6
351.12244	4.8
371.14667	2.9
383.14844	6.8
399.00577	2.1
401.15948	6.9
599.14044	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	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60041	0.5
55.01858	1.2
57.03198	0.6
57.03426	6.2
61.02897	1.0
65.03910	0.5
68.99791	1.9
69.03421	4.6
71.04971	1.1
71.62558	0.9
71.62888	0.6
73.02894	0.8
81.03408	3.7
85.02897	27.4
87.04448	1.1
91.03936	0.5
91.05476	1.9
95.04928	2.1
97.02888	4.8
99.04427	0.9
101.26641	0.5
103.03914	1.3
107.01311	0.7
107.04945	2.5
109.02882	4.8
111.00778	1.0
114.65477	0.5
115.03873	0.9
119.04900	3.3
121.02054	0.9
121.02851	10.1
121.06485	1.6
123.04430	3.9
125.02293	2.5
127.03897	4.7
135.04396	1.6
137.02303	1.3
137.05937	0.7
139.04021	0.6
141.01810	1.1
145.04916	1.9
147.04393	13.6
149.02303	1.9
151.03893	1.6
153.01794	7.3
161.05884	0.7
163.03889	4.7
165.01814	24.4
167.03316	0.6
171.02855	2.8
175.03900	1.1
177.01802	17.2
177.05362	1.0
179.03368	0.8
181.04929	0.8
183.02875	21.4
184.03204	0.6
187.03848	0.9
189.01828	3.9
191.03383	17.8
193.01335	1.7
193.71501	0.5
195.02870	100.0
196.03162	2.1
199.03972	0.9
203.03348	1.9
205.04883	2.5
207.02837	2.6
209.00797	1.1
209.04390	2.3
213.02071	0.7
213.03705	2.7
215.03368	2.2
217.01283	0.7
219.02858	36.1
220.03195	1.0
231.02856	22.9
232.03214	0.8
233.04492	2.8
237.03951	2.5
243.02812	6.6
249.03911	12.0
257.04437	1.4
261.03915	22.4
261.06708	1.3
273.07553	7.5
279.04977	6.2
285.07547	22.7
286.07922	0.8
297.07706	23.4
303.04965	18.3
309.07706	0.9
311.05530	0.8
311.08890	0.8
315.08588	33.0
316.08878	1.3
339.08594	30.1
340.08887	1.0
351.08569	8.1
363.08530	4.3
369.09616	3.0
381.09656	16.4
381.14288	1.2
382.09933	0.6
399.10693	12.2
417.11716	6.5
447.12808	5.6
465.10165	2.0
501.13797	3.0
513.13824	9.1
525.14172	2.0
543.14716	1.6
561.15814	2.5
579.16980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3024
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.01212	0.9
53.03930	1.6
55.01896	0.9
55.05500	13.8
57.03429	6.3
57.07058	3.7
67.05141	2.1
67.05495	30.7
69.03415	3.3
69.07060	17.2
70.94739	2.4
71.04992	2.2
71.08631	1.1
79.05476	12.1
81.03409	9.8
81.07045	33.0
83.04995	1.8
83.08614	9.6
85.02890	3.1
85.22350	1.0
91.05449	7.2
93.07037	11.5
95.04953	3.4
95.08591	26.3
97.06518	3.4
97.10155	4.8
98.98452	27.0
99.04443	2.8
105.07009	8.1
107.04914	1.2
107.08581	9.0
109.02853	8.8
109.06512	1.7
109.10146	12.7
109.66988	1.0
111.08064	1.6
111.11768	1.1
117.06995	1.1
119.08554	7.6
121.06534	1.4
121.10136	6.1
123.08069	2.0
123.11726	4.7
125.09659	1.3
127.03925	2.9
129.07051	1.3
131.08560	2.2
133.10088	5.1
135.11719	4.2
137.09657	1.1
137.13248	1.6
143.08534	1.2
145.04964	1.3
145.10117	3.3
147.08031	1.0
147.11700	4.4
149.09622	1.3
149.13393	1.1
151.11147	1.2
155.01031	4.3
157.10139	1.7
159.11703	1.6
161.13312	3.2
163.06084	2.0
163.14809	1.2
165.07086	1.3
165.09128	1.5
167.10652	1.1
169.10052	1.0
171.11652	2.3
173.02081	1.3
173.09630	1.2
173.13202	2.5
175.14798	2.5
183.11615	1.5
185.13126	1.0
187.14873	1.5
194.10922	1.1
207.13632	1.1
212.41885	1.0
221.13097	1.2
221.15303	1.8
245.22754	1.8
261.03680	8.5
263.23782	3.1
303.04953	2.4
335.07358	2.5
337.27313	100.0
338.27881	2.6
389.06540	1.8
403.08234	2.5
419.11288	2.7
421.09451	1.3
435.07083	5.2
445.05771	2.0
447.10620	1.3
449.08640	4.2
450.09341	3.6
461.09448	1.2
463.10596	2.3
464.10632	2.0
465.12198	1.4
475.09970	1.4
477.08234	1.9
493.11218	3.8
505.07373	1.9
507.12698	8.9
508.13251	1.3
521.45691	1.2
535.12665	1.8
537.10681	2.5
579.38385	2.1
596.59290	1.0
597.12354	50.9
597.39026	6.5
598.12531	8.4
627.25763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38423	0.3
65.03936	1.9
65.65155	0.3
67.05491	0.7
69.03407	0.8
85.02880	2.0
89.03899	1.5
91.05451	0.4
93.03397	2.5
97.02879	30.0
110.03639	0.5
111.04449	0.4
117.03362	6.1
121.02846	1.2
124.05167	0.3
127.03897	100.0
128.04236	1.1
128.06195	0.4
129.06993	2.4
132.21854	0.3
134.03580	0.5
137.05931	0.3
139.05441	0.6
141.06978	0.8
145.02829	16.8
147.04396	0.4
149.02338	3.1
149.05965	2.0
151.03868	0.9
157.06476	3.1
163.04005	0.3
163.07596	0.3
167.03389	16.8
167.04796	0.9
168.03656	0.6
169.06454	0.4
177.05443	33.9
178.05777	0.9
184.05104	0.4
185.05956	0.9
187.07396	0.5
188.08321	0.7
189.05511	0.5
189.09091	3.5
199.07523	2.3
207.06464	0.8
213.05551	0.5
215.07111	0.4
217.08566	3.3
227.06897	2.2
245.08092	6.5
255.06635	0.4
273.07626	1.4
289.09174	2.7
291.08578	11.3
303.04996	0.7
309.09491	1.5
376.94669	0.3
460.81625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91318	0.2
53.03937	0.4
55.01882	0.3
58.65547	0.2
65.58963	0.2
69.03419	0.9
69.32858	2.0
69.33262	0.3
70.06573	0.4
71.67596	0.2
81.03404	0.4
85.02901	1.5
89.03905	2.4
91.05443	0.3
92.60592	0.2
97.02882	6.7
97.03484	0.5
105.07062	0.4
109.02865	0.4
117.03364	7.2
127.03900	100.0
128.04216	1.2
134.03612	0.6
135.04395	0.4
145.02831	17.6
146.03215	0.3
147.04353	0.4
149.02243	0.5
149.05971	2.3
151.07471	0.3
162.01680	0.2
163.03818	0.2
166.51614	0.2
167.03349	1.7
167.07097	0.3
175.07542	0.3
177.05449	37.5
178.05884	0.5
186.05542	0.4
189.05440	3.0
189.09048	0.3
199.07632	0.5
207.06425	0.2
215.06946	0.6
217.08577	0.4
227.07002	0.3
245.08093	0.5
273.07605	1.6
289.06308	0.4
289.09061	2.2
291.08481	0.9
303.04971	0.6
309.09586	0.3
318.05756	0.3
345.09320	0.3
349.10687	0.4
439.15689	0.2
509.14240	0.5
535.12164	0.6
579.10199	0.7
597.11511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.144
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03420	2.5
61.02917	1.1
69.03420	9.5
69.50095	9.3
81.03430	1.1
85.02892	7.7
87.04456	6.7
89.80671	1.1
97.02866	5.4
98.20743	2.2
112.22442	1.0
115.03912	3.7
126.23701	1.0
133.04942	5.0
137.02321	3.7
139.84506	1.0
153.01834	3.4
160.19772	1.0
165.01845	1.6
193.83961	1.0
229.04947	3.4
257.04401	2.3
285.03967	1.3
292.63297	1.2
303.04956	100.0
304.05344	3.3
315.04993	1.2
341.06860	1.2
345.05975	2.9
369.06015	2.0
435.09140	1.2
465.10437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1444
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01863	0.1
57.03428	1.7
59.04980	0.3
68.99781	0.3
69.03422	5.0
70.04644	0.6
70.06567	0.1
73.02908	0.2
75.04456	0.3
81.03411	0.2
85.02395	0.2
85.02892	3.6
85.86044	0.1
87.03966	0.2
87.04462	3.0
93.03402	0.2
93.07002	0.1
95.04939	0.3
97.02884	2.7
109.02863	0.3
111.00780	0.8
115.03120	0.2
115.03912	3.2
120.93629	0.1
121.02850	0.8
123.04411	0.1
127.03941	0.4
133.04941	2.3
135.04417	0.2
137.02325	3.2
137.03326	0.2
137.09503	0.1
145.04971	0.2
145.06433	0.1
149.02301	0.5
153.01796	2.8
155.04861	0.2
161.05963	0.2
163.03925	0.6
165.01808	2.0
166.02637	0.2
167.03452	0.1
173.05959	0.2
177.05452	0.1
183.02914	0.9
183.04344	0.2
187.03889	0.4
191.03413	0.2
195.02855	0.4
201.05467	1.4
205.05051	0.2
207.02936	0.1
208.91592	0.1
213.05579	0.2
215.03320	0.2
219.02948	0.2
219.06477	0.3
229.04919	3.8
247.05957	0.7
250.61284	0.1
257.04416	2.8
259.82568	0.1
274.04803	0.6
275.05487	0.2
285.03873	1.0
302.03925	0.2
303.04944	100.0
304.05316	2.0
315.04800	0.9
316.05725	0.2
327.04974	0.3
345.02084	0.1
345.06018	1.9
351.38461	0.1
369.06021	0.2
399.07135	0.2
435.09164	1.1
465.10220	12.2
466.10541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44786	0.1
54.66999	0.1
57.03426	1.4
59.04973	0.3
61.02900	0.2
65.03925	0.2
67.01859	0.1
68.99786	0.4
69.03419	5.6
69.61914	0.3
69.62339	0.4
75.04453	0.2
81.03388	0.3
83.68440	0.1
85.02896	3.8
86.93630	0.1
87.03954	0.2
87.04459	3.0
93.03371	0.3
95.04932	0.2
97.02882	3.5
101.03796	0.1
103.05475	0.1
109.02866	0.2
111.00770	0.6
111.04373	0.1
113.24812	0.1
115.03915	2.7
121.02860	0.8
123.04407	0.4
127.03900	0.5
128.73404	0.1
133.04950	2.3
135.04373	0.2
137.02318	3.6
137.05852	0.1
145.04887	0.1
145.06418	0.2
147.04401	0.2
149.02303	0.4
153.01802	3.0
153.05280	0.1
155.04869	0.2
157.06473	0.1
159.04239	0.1
161.05968	0.2
163.03903	0.7
165.01825	2.2
166.02582	0.2
173.05936	0.4
177.01831	0.3
177.05421	0.2
179.03380	0.1
183.02841	0.7
183.04381	0.2
187.03873	0.2
191.03447	0.3
195.02876	1.0
201.05486	1.4
205.04996	0.1
207.02827	0.2
213.05540	0.2
215.03333	0.2
219.02875	0.4
219.06551	0.3
222.41328	0.1
228.04156	0.2
229.04935	3.5
231.02814	0.2
239.03444	0.2
241.04863	0.2
242.30698	0.1
247.05960	0.7
249.03799	0.1
257.04434	2.5
261.03934	0.3
267.03253	0.1
271.06006	0.1
274.04779	0.6
275.05347	0.2
285.03979	1.2
285.07156	0.1
299.05386	0.2
301.07059	0.2
302.04153	0.2
302.07388	0.3
303.04944	100.0
304.05292	2.1
315.04901	0.9
315.08267	0.1
316.05847	0.1
327.04901	0.3
339.08621	0.1
345.06003	2.0
369.06116	0.3
381.05814	0.2
387.07062	0.2
399.06992	0.2
430.62485	0.1
435.09186	1.0
447.08862	0.1
465.10233	10.2
466.10291	0.1
553.49652	0.1
604.04169	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	597.1441
Annotation	Quercetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03920	0.2
55.01847	0.5
56.02564	0.2
57.03432	2.2
59.04971	0.6
61.02921	1.7
65.03915	0.2
66.93053	0.1
67.05496	0.2
68.99780	0.6
69.03419	8.3
71.22413	0.2
71.22755	0.4
73.02895	0.7
75.04459	0.4
75.63832	0.2
81.03405	0.4
85.02888	6.5
87.03952	0.3
87.04455	5.1
91.03932	1.3
93.03394	0.3
95.04932	0.5
95.24130	0.2
95.36717	0.1
97.02879	5.5
99.04414	0.2
109.02849	0.6
111.00772	0.9
111.04408	0.2
113.33548	0.2
115.03908	4.8
121.02840	1.0
123.04407	0.5
127.03956	0.9
133.04945	4.7
137.02316	4.7
137.05951	0.2
139.03838	0.2
145.04897	0.4
145.06403	0.2
147.04398	0.2
149.02330	0.5
153.01794	3.4
155.04878	0.3
161.05937	0.3
163.03880	0.7
163.05959	0.2
165.01825	2.1
167.03340	0.3
173.05984	0.4
177.05423	0.4
179.03325	0.3
183.02879	0.9
187.03914	0.4
191.03334	0.5
195.02867	0.5
201.05418	2.0
213.05489	0.3
215.03201	0.3
219.02884	0.3
229.04939	4.4
247.05998	0.7
257.04431	2.8
259.08258	0.2
274.04684	0.9
275.05322	0.3
285.03864	1.3
286.04507	0.2
299.05466	0.6
302.04138	0.5
303.04941	100.0
304.05270	2.0
315.04889	5.6
316.05533	0.7
327.04929	1.4
329.06659	0.4
339.04996	0.4
341.06607	0.9
345.05972	6.3
355.08163	0.3
357.05716	0.2
369.01620	0.3
369.06015	3.6
375.07181	0.2
381.05887	0.6
387.07285	0.2
393.05957	0.2
399.06946	0.8
411.07068	0.7
429.08328	1.0
435.09256	1.3
447.09137	1.7
465.10266	5.0
465.17026	0.3
591.90027	0.2
597.13641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01852	0.8
56.87410	0.7
57.93036	0.6
62.06530	0.6
68.99782	1.2
69.03434	0.8
69.55363	0.8
69.73617	2.5
69.74044	2.4
70.06570	0.9
71.04995	0.7
72.08121	0.9
81.07048	0.8
85.02903	0.8
91.05460	1.5
93.07025	1.0
95.04972	0.9
96.51038	0.7
97.02891	1.1
97.06506	0.7
98.21494	0.9
98.48659	0.7
103.05465	2.0
107.04971	2.5
107.62026	0.6
119.04965	2.2
123.04430	1.3
131.04901	5.0
137.02315	1.2
137.05983	4.0
137.98233	0.7
139.07588	0.9
145.06482	0.9
147.04399	6.3
148.04819	0.9
149.06039	0.8
151.07529	2.0
153.05496	1.5
161.05956	1.2
163.03886	2.2
167.06995	5.5
169.06418	0.8
173.06055	0.9
175.03860	1.1
177.01837	1.0
177.05447	2.7
178.06236	3.9
179.03500	0.8
181.08530	0.9
185.05949	0.8
189.05464	0.8
189.09157	0.7
191.06967	4.2
195.06531	3.5
197.05988	1.1
203.03398	1.6
203.76392	0.7
205.04875	1.3
206.05681	0.7
208.35413	0.8
213.05461	1.9
219.02928	0.7
223.11272	0.7
225.05359	1.3
227.03340	0.8
231.02991	1.2
241.04976	2.4
243.06573	2.6
253.04831	0.9
257.04553	0.9
259.02475	2.1
265.05222	0.8
268.03641	0.9
269.04465	2.5
271.02292	1.4
285.07474	1.1
297.03970	0.9
303.04929	2.4
333.03976	0.8
333.07565	1.2
335.05307	1.2
348.06238	1.0
349.07263	1.1
351.08527	1.0
361.07050	2.0
363.04724	1.7
363.08737	1.9
364.05756	0.9
365.06406	1.3
371.07706	2.0
373.07071	1.0
374.08005	1.1
375.05002	1.9
375.09277	1.1
377.02768	1.2
377.10425	1.8
379.08109	3.2
389.06396	4.0
390.07446	1.1
391.04083	1.1
391.08206	2.0
393.09738	2.0
395.11230	2.3
401.06122	1.0
403.03830	1.4
403.08820	1.4
405.05682	1.3
405.10229	1.5
407.07208	4.6
409.12936	1.5
416.09088	0.9
417.05771	1.3
418.06763	2.4
419.07129	5.9
419.12415	1.1
420.04788	1.5
421.09415	7.9
422.09921	1.6
429.05670	1.4
432.08588	0.8
433.05133	1.5
434.10214	0.9
435.06302	4.4
437.12314	2.8
447.11462	1.5
448.11484	1.1
449.08542	7.1
450.09427	21.8
451.09842	3.3
459.06827	0.9
463.10410	5.7
464.10849	1.1
465.11832	5.9
489.11566	3.5
491.09308	1.7
493.11130	1.0
507.12857	17.3
509.14471	2.2
515.10071	1.2
517.11322	2.0
533.10925	5.3
535.12384	3.1
537.10272	1.0
551.11664	2.5
553.13483	0.9
561.10016	2.8
579.11200	14.0
597.12341	100.0
598.12482	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	597.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05503	1.1
59.19329	1.1
62.91093	1.0
64.86041	1.1
68.99762	1.6
69.30981	13.0
74.26428	1.1
81.03407	1.1
82.55781	1.1
83.82414	1.0
85.02912	2.0
91.05468	4.3
97.02887	3.9
98.21458	2.3
103.05462	3.4
107.04929	3.5
110.65125	1.0
115.14504	1.2
119.04932	5.2
121.06526	1.5
123.04411	1.6
127.88416	1.1
131.04913	4.7
135.04440	1.7
137.05951	2.6
139.07571	1.7
145.02884	1.7
147.04367	15.3
148.04752	3.6
149.05991	2.8
151.07484	3.7
153.05449	2.6
157.06378	1.1
163.03896	4.6
164.14951	1.1
165.05545	1.9
167.07014	8.3
168.07765	1.8
175.03871	1.8
177.05467	4.6
178.06229	10.6
179.03441	1.3
179.07016	2.4
181.04921	2.7
181.08623	1.7
185.06044	1.9
187.03992	1.4
191.03311	1.5
191.07019	7.0
193.04965	1.8
193.08673	1.3
195.06555	4.2
197.06021	3.9
198.40215	1.2
203.03412	3.2
205.04942	3.4
213.05482	4.4
215.03375	1.2
215.06992	2.0
219.06320	1.2
225.05496	3.3
229.04994	2.9
231.02817	1.8
233.39127	1.2
241.04961	4.4
243.06458	6.9
244.03880	1.5
253.04868	1.8
255.02942	1.3
255.06535	1.0
257.04532	1.8
259.02399	6.1
268.03656	1.0
269.04504	4.5
271.02524	1.6
272.03369	1.7
281.04620	1.5
282.05328	1.3
285.03894	2.2
287.05450	9.6
288.05850	5.6
289.06094	4.3
295.05969	1.3
296.03177	1.7
297.03894	1.7
303.04916	2.6
319.05878	1.7
323.05319	1.6
331.08157	2.6
333.07529	1.4
347.05566	3.3
348.06403	1.7
349.03326	1.5
351.08447	1.7
359.07648	10.0
361.07016	2.8
363.04807	3.0
363.08670	1.9
364.05658	2.4
365.06662	1.8
374.04196	1.4
375.04901	3.3
376.05652	3.0
377.06268	1.9
379.08026	5.8
387.08783	1.6
389.06573	6.7
390.07538	1.7
391.08163	4.9
393.09863	1.8
401.06586	3.1
403.04422	3.6
403.08740	2.0
404.05142	1.8
405.05423	1.5
405.09677	3.5
407.07510	10.9
409.12854	2.4
413.06216	1.6
416.08990	3.4
417.05981	4.0
418.06848	2.6
419.07330	8.6
420.04712	4.5
421.05469	5.1
421.09906	2.6
431.07764	2.5
432.08359	2.9
433.04764	6.0
434.10196	2.2
435.06747	7.4
447.11139	2.7
448.11612	2.5
449.08643	3.8
450.09393	78.2
451.09790	12.3
453.11844	2.5
459.07184	4.1
461.08493	3.8
462.09485	2.6
463.10480	16.9
464.11044	2.6
465.11713	13.0
477.08176	4.1
487.10330	4.0
489.11658	5.8
491.09167	7.0
493.11194	2.9
503.06232	1.5
505.11380	1.6
507.12787	25.4
509.14410	9.2
515.09045	2.6
517.11493	6.3
533.11066	8.5
535.12286	17.1
536.12665	1.6
551.11847	5.0
561.10455	8.0
579.11359	32.9
597.12329	100.0
598.12616	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	597.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49540	0.5
55.46112	0.5
67.05483	0.6
70.06582	0.6
70.10172	2.2
72.01337	0.5
85.02889	0.8
91.05460	1.1
97.02885	1.4
97.06563	0.6
98.21317	0.7
103.05458	0.6
105.07056	0.6
107.04944	0.9
107.08581	0.6
112.13435	0.5
119.04922	1.0
121.06580	0.7
123.10903	0.6
131.04924	1.0
133.06499	0.7
136.20967	0.5
137.05974	1.3
145.02840	0.6
147.04404	2.1
151.04002	0.5
163.03893	1.0
167.07060	1.1
174.52069	0.5
175.03975	0.6
177.05470	2.1
179.03427	1.2
191.07037	0.7
205.04909	1.0
235.48012	0.5
281.04507	0.6
303.05121	1.7
305.05460	0.6
310.04535	0.5
329.08185	0.8
333.04044	0.6
333.07587	1.3
343.06128	0.8
345.10236	0.7
346.08496	0.6
347.05383	0.9
347.09366	0.8
349.07071	0.8
351.08603	1.2
357.03000	0.5
357.07401	0.8
359.05222	0.6
360.06476	0.8
361.07141	1.7
362.07693	0.5
363.08682	0.9
365.10141	0.9
373.06879	0.9
373.10986	0.7
375.08752	1.3
377.06485	0.7
379.08203	0.7
385.07230	0.6
387.08908	1.1
389.06412	3.8
392.05396	0.8
393.10004	0.6
401.10223	0.9
403.08270	3.4
404.09155	1.1
405.05588	1.1
405.10178	0.8
406.06662	1.3
407.07504	1.1
417.06104	1.8
418.10968	0.7
419.11441	5.9
420.04639	1.9
421.09238	3.5
431.07590	1.8
432.08429	1.0
433.05161	1.1
433.09995	0.9
434.05948	3.4
435.06903	9.8
435.12189	0.8
445.05228	3.4
447.11429	3.0
449.08624	11.6
450.09457	6.9
451.10037	0.7
459.07059	1.3
460.08170	1.2
461.08649	1.4
463.10837	5.0
464.10904	6.8
465.11789	4.0
475.10141	0.8
477.08038	4.0
487.06708	0.7
491.09766	0.8
493.11249	8.0
505.07437	2.7
507.12808	19.4
508.13287	0.7
519.08990	0.6
535.12311	3.9
537.10223	5.5
567.08344	0.6
579.11188	0.9
597.12335	100.0
598.12659	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58242	3.0
65.03918	4.6
69.03402	3.5
71.58746	5.5
83.44547	2.7
85.02863	3.2
89.03915	4.7
93.03391	7.0
97.02883	100.0
97.03489	6.6
103.05484	7.4
106.25613	3.3
116.07128	2.8
117.03391	10.5
118.43736	3.0
119.06267	3.8
121.02882	5.1
129.06992	8.4
131.04921	15.1
132.05281	7.6
137.06017	3.9
145.02841	38.7
149.02328	5.9
149.06003	6.3
157.06425	6.7
167.03380	49.3
167.04739	5.7
167.06993	4.4
177.05450	86.6
189.09106	8.5
217.08617	11.6
227.06918	4.3
245.08061	10.9
273.07678	4.2
291.08603	38.4
303.04935	15.2
304.05298	16.1
309.09787	7.2
450.09128	4.2
463.09653	3.8
476.08276	3.5
507.12610	5.0
596.28387	4.3
597.12347	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91492	0.2
69.03442	0.2
71.61886	0.2
72.49077	0.2
85.02907	0.2
89.63876	0.2
97.02895	0.6
105.22742	0.2
117.03394	0.2
119.04949	0.3
123.04442	0.4
135.04301	0.3
137.05983	0.3
139.03835	0.2
145.02838	0.8
146.03227	0.5
147.04396	0.7
148.75232	0.2
149.05963	0.4
157.07695	0.2
163.03946	0.4
165.05396	0.2
167.07080	0.7
168.03912	0.2
175.03975	0.5
175.07492	0.2
177.05446	2.9
178.05824	1.6
179.03435	0.4
179.07010	0.2
182.27907	0.2
189.01761	0.4
189.05440	0.4
191.03407	0.2
191.07036	0.5
194.09387	0.2
205.04965	0.8
213.05400	0.2
241.05000	0.2
253.04886	0.3
254.88110	0.2
265.05145	0.3
268.03735	0.3
269.04413	0.3
279.02710	0.2
279.06512	0.3
280.07382	0.2
281.04428	0.4
282.05258	0.4
283.05954	0.3
287.07047	0.4
291.06482	0.3
294.05069	0.2
295.06082	0.3
296.03162	0.3
301.08578	0.4
303.06723	0.3
304.07031	0.3
305.08047	0.4
307.06067	0.3
310.04727	0.3
311.05618	0.3
312.06305	0.4
315.06494	0.2
316.07355	0.3
317.07883	0.4
319.06003	0.4
319.09644	0.3
321.07678	0.3
323.05606	0.5
325.07117	0.5
329.08185	0.6
330.08746	0.3
331.06046	0.3
331.09653	0.4
332.06934	0.5
333.07611	0.7
336.06195	0.6
337.03479	0.2
337.07135	0.5
341.08017	0.4
343.06161	0.6
345.07584	0.4
346.04764	0.4
347.05466	0.9
347.09210	0.8
348.06226	0.4
349.06940	1.0
350.07703	0.5
351.04910	0.3
351.08786	0.5
357.07608	1.1
358.08408	0.5
359.05295	0.3
359.09180	0.6
360.06085	0.3
361.06989	1.9
361.11182	0.2
362.07541	0.4
363.04758	0.4
363.08624	0.6
365.06262	0.3
365.10141	1.0
370.08456	0.3
371.05585	0.4
372.06073	0.5
373.06995	0.8
373.11044	0.4
374.03778	0.3
375.08676	1.7
376.09277	0.3
377.06400	0.7
377.10446	0.4
378.07584	0.3
379.08066	0.9
385.06970	0.7
386.08148	1.0
387.08670	1.3
388.05688	0.4
389.06418	3.0
390.07016	0.4
391.03781	0.3
391.08041	0.5
391.12167	0.3
392.05161	1.1
393.09662	0.8
399.04947	0.3
401.05783	0.3
401.10464	1.0
403.08118	3.1
404.08920	0.8
405.05222	1.1
405.10159	0.6
406.06802	0.8
407.07654	1.4
414.07254	0.3
415.08142	0.5
416.09128	0.3
417.05161	1.6
417.10474	0.6
418.06030	0.3
418.10971	0.4
419.11429	5.7
420.04163	1.5
421.09299	2.6
429.09888	0.4
431.07672	1.7
432.08426	1.3
433.05377	1.4
433.09598	1.2
434.05930	3.0
435.06879	10.5
436.06860	0.3
436.12216	0.3
445.05344	3.6
447.11197	3.3
448.07919	0.6
449.08612	12.0
450.09357	6.5
451.10135	0.3
459.06931	1.3
460.07846	0.4
461.08896	1.9
463.10977	4.2
464.10757	6.7
465.11691	3.3
473.08655	0.3
475.10419	1.0
477.07986	3.2
478.08853	0.6
487.06500	0.6
491.09637	0.8
493.11240	8.2
494.11539	0.3
505.07529	2.8
507.12820	19.9
508.13193	1.0
519.09180	0.4
535.12292	4.4
536.12787	0.2
537.10120	3.9
549.05902	0.2
551.11755	0.4
567.07501	0.6
579.11121	0.7
597.12292	100.0
598.12573	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	595.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05285	0.8
55.05506	7.9
57.03431	7.2
57.07049	1.7
67.05497	33.2
69.03424	2.1
69.07059	8.9
69.87685	4.2
69.88100	1.8
71.04965	1.8
75.78666	1.0
79.05476	16.5
81.03405	13.4
81.07045	33.4
83.04984	1.8
83.08585	3.6
85.02866	2.4
91.05465	10.5
92.94920	0.9
93.07027	18.7
95.04937	2.3
95.08596	24.2
97.06533	1.3
97.10134	1.5
98.20853	1.5
98.98450	27.9
99.04411	1.1
105.07018	7.8
107.08578	11.5
109.02855	10.0
109.06535	1.2
109.10139	9.3
111.08038	2.6
117.07005	2.6
119.08581	5.6
121.10141	9.5
123.08046	1.2
123.11687	4.6
127.03859	1.5
131.08536	2.9
133.10086	4.1
134.72829	1.0
135.11664	3.7
145.04976	1.6
145.10120	2.5
147.11668	3.0
149.13229	2.3
155.00969	2.2
159.11629	1.7
161.13185	1.5
163.06055	1.7
163.14722	1.5
173.02101	2.4
173.13231	3.5
185.13342	0.9
187.14874	1.2
243.20940	1.3
261.03659	8.4
261.22083	3.8
317.24734	1.4
335.07278	3.6
335.25751	100.0
336.26129	2.7
463.09961	2.5
569.63922	1.1
595.10669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39328	0.4
53.03930	2.0
53.63696	0.5
55.01849	2.0
55.05505	7.5
57.03420	1.2
65.03937	0.5
65.61980	0.5
65.72884	0.5
67.05496	5.9
67.89099	0.4
67.91067	0.5
69.03419	2.6
69.07059	3.4
70.06576	0.6
70.32207	2.0
71.04971	2.0
75.41737	0.5
77.54769	0.5
79.05477	7.1
81.03407	6.0
81.07047	6.4
81.91498	0.5
83.04952	1.9
83.08609	5.0
85.02877	3.1
87.00813	0.6
91.05457	4.6
93.07029	5.6
94.04163	1.2
95.04962	4.0
95.08591	3.7
97.02861	1.8
97.06519	3.4
97.10159	7.1
99.04447	0.9
103.05425	0.5
105.01836	0.5
105.07022	4.4
107.04939	5.3
107.08584	4.1
109.02834	2.0
109.06504	3.2
109.10136	1.4
113.05994	3.7
117.06991	1.9
118.04138	2.6
119.08585	2.5
121.06501	1.1
121.10108	1.6
123.04382	0.8
123.08067	8.1
125.05928	0.7
125.09625	6.4
127.03866	2.6
129.06970	1.0
131.08534	1.9
133.06432	1.2
133.10139	1.6
135.04369	0.5
135.08038	1.5
135.11671	1.1
137.02301	1.3
137.05991	0.5
139.11156	0.6
143.08534	1.3
145.04915	1.0
145.06456	0.9
145.10152	1.3
147.11662	0.7
149.05888	0.6
149.09592	1.1
149.13284	0.6
154.02548	1.3
157.10094	1.3
159.02829	0.7
159.11667	1.9
163.03934	0.8
163.11089	0.7
167.07021	12.6
167.08221	0.4
168.07224	0.6
169.10156	0.7
171.10190	0.7
177.05397	0.9
177.12723	0.7
179.06987	0.7
181.06461	0.8
182.07155	0.7
185.13156	0.7
187.11122	1.2
189.11194	7.4
193.08571	0.8
195.01526	0.5
195.11716	0.6
195.13734	1.1
195.28143	0.6
197.05948	1.1
198.06703	1.0
199.07431	0.5
202.21980	0.5
205.12206	2.0
209.08046	0.8
211.13148	0.5
213.09039	4.4
221.13261	1.0
221.15335	15.0
223.13254	11.6
225.05428	0.9
225.44669	0.5
226.06218	2.8
231.05049	0.7
237.05428	4.6
253.04872	3.4
254.05692	5.5
269.08054	100.0
270.08356	2.4
273.18478	2.0
287.05450	1.7
291.19452	4.5
330.07343	0.6
347.15030	1.3
399.20941	0.6
405.06036	1.2
433.05475	2.0
434.09976	1.6
448.07892	0.6
463.10190	4.3
549.10089	0.5
577.09491	1.2
595.10547	3.4
596.10553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.0
58.61547	0.3
68.99780	0.8
69.03419	2.6
70.64996	1.1
71.04969	1.1
72.08107	0.3
85.02890	3.3
87.04442	1.0
91.05440	0.6
97.02917	1.8
97.03444	0.3
97.06547	0.3
115.03903	1.6
119.04913	1.3
121.02866	0.6
121.06478	0.5
123.00847	0.5
123.04374	0.4
127.03930	0.5
133.02849	0.5
133.04935	1.2
134.03598	1.3
135.04337	0.4
137.02296	0.6
145.02705	0.4
147.04367	3.9
149.02266	2.0
149.05951	0.5
151.03893	0.4
153.01830	5.5
153.05469	0.6
163.03717	0.4
164.04594	1.9
165.05507	0.8
167.07028	0.7
168.00549	1.1
169.01282	2.3
170.02100	0.5
177.05437	1.0
181.05031	0.5
185.00804	0.5
185.05977	0.6
186.01564	1.3
187.43968	0.4
191.03224	0.4
199.03880	0.7
202.06178	0.4
213.05409	1.2
216.04156	0.9
229.04933	2.2
230.05714	1.5
241.04912	7.1
244.03621	0.9
245.08101	0.8
258.05182	1.0
269.04419	10.7
272.03220	1.1
285.03970	0.7
286.04669	12.5
287.05466	13.2
289.03311	0.5
299.05698	0.4
300.02490	0.6
301.07019	100.0
302.07355	1.5
306.33112	0.4
314.72659	0.4
315.04913	1.6
317.02838	2.3
321.03790	0.5
332.05081	1.9
343.08218	0.9
345.09625	0.5
347.07559	23.1
356.98749	0.4
387.04984	0.6
405.05939	0.6
409.52533	0.4
415.04456	0.8
430.06717	0.5
443.03845	1.8
458.05826	0.5
459.03549	0.5
463.12448	4.9
473.08936	1.7
487.02509	0.4
497.01727	0.5
499.05807	0.4
517.07574	0.7
535.08752	1.4
545.06866	1.1
551.12177	0.5
563.08124	15.3
564.08038	1.0
577.09503	1.4
595.10999	0.5
595.20038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Tiliroside
Peak:m/z	Relative Intensity
55.01860	0.4
57.03413	0.5
61.02890	0.4
64.32908	0.4
65.03934	1.1
68.99785	1.0
69.03410	1.5
71.04983	0.8
79.05483	0.6
81.03395	1.6
81.07065	0.6
85.02894	9.6
91.05468	10.9
95.04990	0.4
97.02879	5.9
103.05437	1.2
105.03403	0.7
107.04930	0.7
109.02848	1.7
111.00763	0.5
111.04423	0.4
115.05405	0.5
119.04929	24.3
121.02851	3.3
127.03921	1.0
129.99890	0.4
131.04906	2.9
133.02806	0.7
133.10135	0.5
135.04439	0.5
137.02324	1.3
137.05975	1.3
145.06424	0.5
147.04390	87.6
148.04716	0.9
153.01810	4.7
157.06532	0.5
161.05859	0.4
165.01842	2.3
165.05434	1.6
167.07057	0.6
177.05460	1.0
178.06155	0.7
183.02864	1.4
185.00897	0.4
185.05925	0.6
213.05464	2.1
231.06479	0.5
241.04991	1.0
258.05246	1.4
259.05872	0.6
269.04349	0.7
286.04721	0.6
287.05460	100.0
288.05807	2.5
299.05426	1.1
300.02789	0.5
303.04938	3.8
309.09583	2.3
314.04141	0.5
315.04898	0.5
329.06528	0.8
332.05121	1.7
345.09558	1.0
347.07529	12.8
348.08286	0.5
365.06458	0.6
479.79672	0.4
549.09882	0.4
577.09955	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	595.1446
Annotation	Tiliroside
Peak:m/z	Relative Intensity
55.18368	0.4
57.03412	0.5
61.02923	0.5
61.27279	0.3
65.03926	1.0
68.99772	0.7
69.03412	1.2
71.04985	0.6
81.03403	1.7
81.84684	0.4
85.02893	9.9
85.48798	0.4
91.05473	8.3
93.07082	0.5
97.02886	6.4
98.21532	0.7
99.04442	0.4
107.04916	0.5
109.02869	1.7
111.00785	0.7
116.43128	0.4
119.04930	18.3
121.02872	2.8
127.03914	1.6
137.02341	0.9
137.05962	1.2
145.04968	0.8
147.04391	67.3
148.04729	1.0
150.32317	0.4
153.01799	4.7
157.06525	0.5
162.90399	0.4
163.03943	0.5
165.01831	2.0
165.05457	2.0
177.05455	1.3
178.06093	0.5
183.02835	1.4
185.05948	0.4
213.05423	1.2
231.06445	0.6
241.04927	0.9
255.02991	0.4
258.05176	1.5
259.06134	0.6
286.04614	0.6
287.05466	100.0
288.05780	1.6
291.08536	0.5
299.05484	1.8
301.06897	0.6
303.04910	0.5
309.09573	0.7
311.05615	0.4
314.04190	0.5
315.04794	0.9
332.05197	1.3
345.09564	0.7
347.07544	10.8
353.06403	0.6
389.49142	0.4
395.07632	0.5
577.09833	1.4
595.10504	0.7
618.94885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03926	0.1
55.01844	0.1
55.05498	0.1
57.03428	1.0
61.02919	0.9
65.03932	0.2
68.99783	0.2
69.03410	0.3
70.86729	0.2
71.01346	0.1
71.04981	4.5
73.02901	0.3
75.04456	0.2
81.03400	0.3
83.04964	0.3
85.02891	6.0
86.09692	0.1
87.04431	0.1
89.05992	0.1
91.03932	0.5
91.05416	0.1
93.03380	0.4
95.04950	0.3
97.02863	0.6
99.04398	0.1
107.04913	0.1
109.02821	0.4
111.04424	0.3
121.02843	2.4
123.04385	0.3
127.03927	0.4
129.05479	1.0
129.06961	0.2
137.02312	6.5
137.05907	0.1
138.02713	0.1
139.05443	0.1
141.06967	0.2
145.02795	0.1
145.04936	0.1
145.06636	0.1
147.04398	0.2
147.06523	0.3
149.02318	2.7
150.03087	0.2
153.01767	0.1
157.06453	0.7
161.05928	0.1
162.57936	0.1
163.03835	0.2
165.01718	0.1
167.03404	0.6
167.07034	0.1
169.06474	0.1
171.04356	0.1
175.07536	0.2
177.05418	0.1
179.03372	0.3
185.05933	2.2
189.05414	0.4
191.03323	0.1
197.05884	0.2
199.03876	0.1
201.05406	0.1
203.06998	0.5
212.04665	0.2
213.05420	5.1
214.05827	0.1
216.04204	0.1
217.04807	0.1
223.03934	0.2
229.05022	0.1
230.05629	0.1
231.06444	1.4
241.04910	3.2
251.03419	0.1
258.05188	0.6
259.06018	0.4
269.04395	1.5
270.05017	0.1
271.05954	0.1
285.03726	0.1
286.04639	0.2
287.05444	100.0
288.05762	1.7
295.05930	0.2
301.07010	3.0
302.07150	0.1
308.06726	0.1
318.32495	0.1
337.06973	0.1
343.04480	0.3
449.10788	1.2
457.11243	0.1
463.08957	0.1
577.09180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
57.03411	1.0
58.61547	0.3
68.99780	0.8
69.03419	2.6
70.64996	1.1
71.04969	1.1
72.08107	0.3
85.02890	3.3
87.04442	1.0
91.05440	0.6
97.02917	1.8
97.03444	0.3
97.06547	0.3
115.03903	1.6
119.04913	1.3
121.02866	0.6
121.06478	0.5
123.00847	0.5
123.04374	0.4
127.03930	0.5
133.02849	0.5
133.04935	1.2
134.03598	1.3
135.04337	0.4
137.02296	0.6
145.02705	0.4
147.04367	3.9
149.02266	2.0
149.05951	0.5
151.03893	0.4
153.01830	5.5
153.05469	0.6
163.03717	0.4
164.04594	1.9
165.05507	0.8
167.07028	0.7
168.00549	1.1
169.01282	2.3
170.02100	0.5
177.05437	1.0
181.05031	0.5
185.00804	0.5
185.05977	0.6
186.01564	1.3
187.43968	0.4
191.03224	0.4
199.03880	0.7
202.06178	0.4
213.05409	1.2
216.04156	0.9
229.04933	2.2
230.05714	1.5
241.04912	7.1
244.03621	0.9
245.08101	0.8
258.05182	1.0
269.04419	10.7
272.03220	1.1
285.03970	0.7
286.04669	12.5
287.05466	13.2
289.03311	0.5
299.05698	0.4
300.02490	0.6
301.07019	100.0
302.07355	1.5
306.33112	0.4
314.72659	0.4
315.04913	1.6
317.02838	2.3
321.03790	0.5
332.05081	1.9
343.08218	0.9
345.09625	0.5
347.07559	23.1
356.98749	0.4
387.04984	0.6
405.05939	0.6
409.52533	0.4
415.04456	0.8
430.06717	0.5
443.03845	1.8
458.05826	0.5
459.03549	0.5
463.12448	4.9
473.08936	1.7
487.02509	0.4
497.01727	0.5
499.05807	0.4
517.07574	0.7
535.08752	1.4
545.06866	1.1
551.12177	0.5
563.08124	15.3
564.08038	1.0
577.09503	1.4
595.10999	0.5
595.20038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
69.03419	0.9
69.46341	5.1
70.21922	0.5
71.04980	1.1
74.27060	0.5
79.05465	0.6
85.02899	2.2
89.03889	0.6
91.05476	0.6
97.02888	1.3
98.21463	1.1
107.04950	1.2
109.10134	0.5
119.04926	0.6
121.02855	0.9
121.06475	0.5
123.04419	0.6
126.18460	0.5
127.03940	0.8
134.03644	1.1
135.04419	1.1
137.02277	0.7
137.06013	0.6
145.02855	0.6
145.34312	0.5
147.04352	2.6
149.05988	1.2
151.07513	1.7
153.01823	2.0
153.05499	1.0
162.03120	0.7
163.03886	2.9
167.03444	0.5
167.06999	2.6
175.03883	1.0
177.05515	3.9
178.06218	5.0
179.06873	1.5
181.08655	1.0
191.03452	0.9
191.07068	2.0
193.04878	0.8
194.09419	1.0
195.06461	0.5
205.05016	3.8
213.05492	1.6
215.37282	0.5
219.06586	0.7
229.04936	1.0
241.04865	3.3
243.02863	0.6
245.04396	0.7
251.03365	1.1
253.05070	0.6
255.02951	1.0
269.04440	3.3
272.68616	0.5
275.03513	0.5
279.02768	0.5
281.04333	1.3
283.06073	0.8
284.03076	0.7
285.03864	0.9
285.07269	0.7
286.04678	3.3
287.05472	15.6
297.04013	1.6
298.04742	0.7
299.09146	2.0
300.09506	1.7
301.06992	27.8
309.03973	0.8
312.06470	1.2
313.06931	1.0
315.05096	2.4
316.05270	2.6
317.05435	3.0
321.04022	0.7
330.07315	1.7
331.07401	2.1
332.07935	2.0
344.08884	1.6
345.09811	7.6
346.10025	6.5
347.06021	0.8
347.10245	10.7
358.04724	1.3
366.20697	0.6
371.05392	1.4
373.07138	1.4
375.05142	0.7
386.04214	1.4
387.04657	0.8
389.06805	0.6
399.04895	1.4
401.06509	2.6
403.04453	0.9
411.04861	0.8
417.05618	1.0
418.06921	0.8
419.07498	0.8
426.07410	1.0
427.04446	2.0
429.05759	4.3
431.03885	2.1
439.04755	1.4
442.07083	0.8
444.08734	0.8
445.05515	1.9
455.04044	2.1
457.05310	9.2
459.10770	1.7
463.11807	1.0
466.08939	2.2
471.07175	1.4
472.07730	1.5
473.04773	2.6
483.03110	4.1
487.10294	13.0
488.07465	1.1
501.04153	7.8
502.05075	0.6
503.09445	2.0
511.02869	2.1
511.95645	0.7
513.08069	3.5
516.06726	4.3
519.08978	2.4
521.10718	1.0
529.04370	1.5
531.09198	7.4
533.10431	1.2
541.07568	1.2
549.10254	18.2
559.08582	7.6
577.09711	100.0
578.09882	2.1
595.09625	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	595.1426
Annotation	Tribuloside
Peak:m/z	Relative Intensity
53.03931	0.6
53.64953	0.3
61.02918	0.6
62.32822	0.3
65.03924	1.0
68.99770	0.8
69.03413	1.2
70.06561	0.3
71.04985	0.7
71.58442	0.4
79.05463	0.3
81.03403	1.2
81.25117	0.3
85.02398	0.6
85.02895	9.3
85.03408	0.5
87.84918	0.3
90.17493	0.3
91.05470	9.0
93.07040	0.3
93.92907	0.3
95.04949	0.4
95.08580	0.3
97.02882	4.9
97.06486	0.5
105.03385	0.4
107.04959	0.8
109.02860	1.3
111.00793	0.4
119.04930	19.8
121.02844	3.6
127.03909	1.0
129.05437	0.3
133.02826	0.7
137.02321	1.8
137.05937	0.5
145.04961	0.3
145.06517	0.4
147.04390	66.8
148.04756	1.3
149.02261	0.5
149.05977	0.3
153.01804	3.9
157.06425	0.8
162.29597	0.4
165.01826	1.8
165.05455	2.1
167.03493	0.3
167.06976	0.7
177.05458	0.9
179.03424	0.5
181.04906	0.5
183.02859	0.6
185.06032	0.6
192.39217	0.4
204.30577	0.3
213.05402	1.9
231.06558	0.9
241.04918	1.3
246.74065	0.3
258.05197	1.0
259.06042	0.4
261.48154	0.3
269.04486	0.6
286.04599	0.3
287.05460	100.0
288.05762	2.3
299.05368	3.7
300.06107	0.5
301.07153	0.7
309.09592	0.7
311.05310	0.4
312.06543	0.3
313.07047	0.4
315.04974	1.0
316.05325	0.8
317.05634	0.8
327.05142	0.4
329.06433	0.8
331.07611	0.4
345.09683	1.8
346.09982	1.8
347.06686	0.6
347.10776	2.0
353.06546	0.6
365.06531	1.3
373.09015	1.3
383.07538	0.8
395.07480	0.5
413.08389	0.5
415.10040	1.0
416.14380	0.4
431.09479	0.4
490.62119	0.3
577.09894	1.3
595.14331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1433
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
50.85988	0.3
51.02371	0.4
53.03936	0.6
60.32540	0.3
67.01869	0.3
68.99791	0.3
70.09924	0.9
81.03404	0.7
84.08061	0.2
85.02897	0.8
85.58929	0.2
87.07084	0.2
93.03434	0.2
95.04972	1.4
97.02895	0.5
99.04474	0.3
102.04655	0.3
103.05455	31.8
104.05770	0.4
109.02860	0.7
111.00780	0.5
121.02863	0.8
121.06569	0.2
127.03923	0.3
131.04910	100.0
132.05217	1.2
137.02319	2.2
147.04375	0.4
149.02350	0.4
149.05952	0.7
153.01845	2.4
161.05942	0.3
163.03867	0.7
165.01801	1.6
173.05917	0.4
177.05438	0.3
183.02876	0.9
192.40680	0.3
201.05379	1.3
219.06300	0.3
229.04956	2.9
247.05968	0.6
257.04407	1.7
274.04672	0.4
275.09116	0.7
285.03964	0.6
287.05515	0.9
293.10141	4.5
303.04959	54.8
304.05295	1.1
315.04974	0.7
341.06598	0.3
345.05984	2.2
369.05984	0.4
369.12946	0.2
411.07037	0.6
419.07306	0.3
434.10007	0.4
463.10052	1.1
595.10895	1.4
595.19678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
56.12134	0.3
60.12116	0.3
65.03926	1.2
67.05486	0.5
68.99786	1.0
69.03422	0.4
70.06587	0.4
71.60382	0.5
79.05463	0.6
81.03407	3.2
81.07031	0.7
81.18433	0.3
83.04980	0.4
84.08159	0.4
85.02879	0.8
91.05456	2.0
91.69624	0.3
93.07017	0.6
95.04948	0.7
97.02867	1.1
97.06510	0.7
99.04434	0.3
105.06986	0.4
107.04945	1.3
109.02857	1.0
111.04427	1.2
119.04920	2.2
121.02846	4.0
121.03725	0.4
121.06496	0.5
123.04417	0.5
123.07157	0.3
125.05978	0.5
127.03925	0.4
133.06476	0.6
135.04373	0.8
137.02325	3.9
137.05959	0.9
139.07536	0.8
143.04762	0.4
145.02858	0.6
147.04390	6.9
149.02306	1.2
149.05942	0.6
151.03862	0.9
151.07504	1.0
153.05489	0.9
157.06467	0.4
163.03912	1.8
165.01813	11.5
165.03172	0.7
167.07050	2.8
168.07788	0.4
173.06055	0.4
175.03870	0.5
177.05460	2.0
178.06232	3.0
179.03436	1.2
179.07030	1.7
181.04927	0.6
181.06429	0.4
181.08557	0.5
187.03822	0.4
191.03287	0.6
191.07018	1.6
193.04939	0.6
194.09413	1.2
195.06546	0.8
197.05858	0.4
199.03896	0.4
199.07591	0.4
201.05536	0.4
205.04947	1.6
213.05379	1.0
215.03430	0.6
225.05396	0.5
227.03384	0.5
237.05478	0.3
239.03308	0.4
241.04814	0.7
245.00888	0.8
253.04883	0.9
255.06488	2.1
256.06918	2.1
257.07077	1.0
263.01706	0.5
265.04980	0.5
269.04169	0.5
270.05460	0.4
273.00244	1.9
275.01871	0.4
278.05844	0.5
281.04443	0.8
282.05130	0.4
283.05994	1.0
285.07462	0.8
287.05429	10.8
293.04514	0.4
295.02588	0.5
295.05914	0.4
297.03873	0.6
297.07278	0.6
301.07034	0.5
303.06454	0.5
306.05130	0.4
307.05994	0.6
309.03922	0.9
311.05420	0.5
312.02798	0.5
312.06198	1.0
313.06680	0.6
315.04800	0.5
321.03903	0.6
321.07507	0.5
325.03345	0.7
325.07043	0.8
327.05536	0.8
335.05585	0.5
337.03522	0.5
338.04169	0.4
339.05051	0.4
343.05859	0.4
345.09879	2.7
346.09982	2.4
347.06949	1.0
347.10910	3.2
349.07031	0.8
353.02664	0.5
353.06494	0.9
357.07462	0.6
358.04675	0.4
359.05075	0.5
359.09140	0.4
361.07114	0.7
362.04156	0.8
363.04913	0.8
365.02750	0.9
371.05286	0.7
371.09415	0.6
372.06015	0.4
373.07120	1.1
377.06641	0.6
379.04437	0.4
381.02222	0.4
383.05246	0.4
385.07129	0.9
386.03983	0.4
387.04449	0.6
389.02405	0.4
389.06693	0.6
390.03503	0.7
393.02808	0.4
399.04660	0.4
400.09274	1.2
401.06427	2.5
403.08469	0.5
405.05966	2.2
411.05130	0.5
412.05600	0.6
416.08975	0.7
417.05560	0.4
429.05914	3.7
433.05276	2.5
435.07141	1.5
436.04410	1.1
443.07574	0.7
444.08255	1.7
447.06613	1.8
451.06564	0.7
455.07761	0.6
457.05374	4.2
459.11020	0.6
462.08878	0.6
465.08411	0.6
466.08862	8.4
472.07727	2.1
473.04297	0.5
475.06500	1.0
477.11679	0.7
485.05212	1.4
487.10339	4.6
489.08295	0.8
493.11447	0.4
499.06586	0.6
500.07434	0.7
501.04474	0.9
505.11371	2.2
515.09839	0.7
529.03992	1.0
531.09235	0.7
533.10669	3.0
549.10046	2.7
551.13098	0.4
559.08435	3.2
560.08594	0.4
563.07758	0.4
577.09686	100.0
578.10144	4.7
595.10370	4.7
595.19391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30959	2.2
53.03936	6.5
55.01858	7.2
55.05507	23.9
57.03421	9.5
61.84522	1.8
65.03920	2.5
67.05140	2.6
67.05492	34.5
69.03407	6.7
69.07050	6.1
70.06594	2.1
71.04977	7.0
71.66373	3.5
79.05481	34.1
80.65496	1.9
81.02943	3.8
81.03403	61.0
81.07040	30.0
83.04955	8.2
83.08616	20.0
85.02890	7.9
85.06520	3.8
91.05465	26.9
93.07027	27.5
95.04960	28.6
95.08589	14.6
97.02865	5.4
97.06535	10.9
97.10154	18.5
102.56187	2.0
105.07014	22.2
107.04950	18.4
107.08581	17.2
108.58979	1.9
109.02893	2.5
109.06509	14.2
109.10130	9.4
111.08047	6.5
113.05954	2.4
117.07027	11.2
119.08565	15.3
121.06515	12.6
121.10147	14.3
123.04355	2.2
123.08053	8.0
125.09612	14.5
127.03889	3.0
129.06950	9.7
131.04924	5.2
131.08557	14.3
133.06456	8.8
133.10147	10.3
135.08034	8.9
135.11697	2.6
137.05923	6.0
137.09601	3.5
141.07071	2.6
142.07751	4.2
145.06418	6.5
145.10075	5.3
147.04404	3.8
147.08031	7.7
147.11653	11.4
149.09587	5.7
153.09077	4.4
155.08534	2.8
157.10135	7.5
159.07980	3.3
161.05905	4.4
163.11130	2.7
167.07069	11.2
167.08319	2.7
175.11197	5.9
181.10172	2.2
185.13208	3.6
189.09380	2.8
189.11169	8.8
189.12695	2.7
191.10547	2.1
193.12212	16.0
199.11272	3.2
211.13187	5.0
219.13792	4.0
223.07426	2.3
227.12703	4.1
233.15454	4.1
235.09666	2.6
255.13750	3.5
267.15891	39.7
267.18491	3.6
273.14774	5.3
275.19925	3.3
287.05493	7.4
299.05634	2.8
303.05084	3.1
315.05081	3.6
339.23190	4.1
345.09595	6.7
346.09943	3.5
349.21539	7.8
367.22632	20.3
380.19843	6.6
385.23676	31.5
403.24710	11.8
415.17447	5.7
434.09918	4.4
441.26151	10.0
459.27377	100.0
460.27582	3.5
473.19168	4.1
477.28381	73.4
491.29758	9.1
498.27640	2.3
509.31012	5.0
523.12817	2.9
549.10614	2.6
576.22607	7.7
577.09692	5.2
594.29907	3.9
595.10352	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	593.2746
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.93203	0.4
77.58659	0.4
80.26254	0.5
98.20650	0.9
117.60378	0.4
134.38271	0.5
147.73662	0.4
153.18195	0.5
280.53427	0.6
373.01456	0.5
402.18546	0.8
403.19022	2.7
404.19965	0.7
405.20779	1.2
416.20465	0.7
417.21313	2.7
418.21555	1.2
419.22217	3.7
430.17661	1.0
431.18365	8.2
432.19180	1.9
433.24225	5.0
434.24438	1.1
445.19867	8.6
446.20737	4.8
447.21539	4.9
458.20697	0.6
459.21469	3.6
460.22562	11.7
461.23169	9.4
462.23746	0.9
473.23380	1.7
474.24564	0.5
476.25815	0.9
477.22806	0.8
487.25018	1.2
491.24829	0.8
492.25204	1.5
505.21893	6.5
519.23895	1.0
533.25439	26.6
534.25702	2.9
564.23633	0.8
593.27502	100.0
594.27802	7.9
617.16614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27247	0.4
63.62847	0.4
68.58862	0.4
69.26871	2.5
69.27310	2.6
74.22996	0.4
92.64327	0.5
98.21429	0.7
215.59096	0.5
309.53229	0.5
329.67261	0.5
361.15073	0.5
376.17249	0.7
387.16422	1.1
388.17072	0.5
389.17453	2.0
390.18469	0.5
401.17719	1.1
402.18420	2.4
403.19247	5.3
404.19934	2.2
405.20828	3.1
415.19531	0.8
416.20016	1.6
417.16467	1.7
417.21387	6.7
418.21735	3.0
419.17569	0.6
419.22388	6.2
429.16388	0.6
429.21503	0.6
430.17761	1.9
431.18106	13.7
432.18549	3.9
433.24054	11.8
434.24518	2.0
444.19257	1.1
445.19852	16.4
446.20636	6.8
447.21594	6.5
458.20764	0.7
459.21417	5.3
460.22467	16.2
461.23166	17.5
462.23621	1.8
473.23682	3.9
474.24008	1.4
476.25778	1.6
477.22205	0.8
487.24936	1.8
489.26630	1.3
491.24744	1.1
492.25281	0.7
505.21637	5.7
515.24420	0.6
518.23175	1.3
519.23578	1.2
520.24994	0.6
533.25391	49.6
534.25739	6.1
561.25269	0.5
564.23175	0.7
565.28357	0.7
582.62579	0.6
593.27478	100.0
594.27905	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	593.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01669	0.2
55.01869	0.3
62.70502	0.2
67.05485	0.3
68.99774	0.2
69.03421	2.4
69.07059	0.3
71.59135	0.2
79.05477	0.3
81.03403	0.7
81.07029	0.6
83.04975	0.2
83.08611	0.3
84.54416	0.2
85.02898	0.4
85.06517	0.2
89.03924	1.1
91.05447	1.3
93.07002	0.5
93.97751	0.2
95.04963	0.3
95.08601	0.7
97.02882	1.4
97.06522	0.2
105.03375	0.3
107.08591	0.3
109.02836	0.3
109.10164	0.2
117.02573	0.2
117.03371	3.2
119.04942	0.8
119.08534	0.2
121.02843	0.3
121.10168	0.2
124.03880	0.2
125.41235	0.2
127.03889	1.1
128.06227	0.4
129.06975	0.5
131.04898	0.4
131.08588	0.3
133.02838	0.3
134.03571	0.3
135.04390	0.3
137.02318	4.6
137.05997	0.3
143.08603	0.3
145.02824	10.8
146.03236	0.2
147.04396	1.1
149.02362	0.3
149.05978	1.4
152.06104	0.2
153.06976	0.9
157.06406	0.9
163.03935	0.3
171.08066	0.5
177.05449	23.6
178.06020	0.6
179.50880	0.2
181.06445	1.9
184.05142	0.3
185.05962	0.4
186.05481	0.4
193.08511	0.2
195.06468	0.2
197.06042	0.3
199.07515	7.8
205.04912	0.4
209.05844	0.3
211.07584	0.3
213.05583	0.2
227.06993	4.0
237.05428	1.5
255.06485	100.0
256.06860	1.7
261.07568	0.3
269.04297	0.2
269.08026	0.3
279.06592	0.3
285.07513	0.2
287.05457	0.3
297.07581	0.3
299.08984	0.2
315.04962	1.8
321.09723	1.6
327.08197	0.4
330.07251	0.8
339.10736	1.8
345.05710	0.4
345.09665	5.1
367.08240	0.2
461.08331	0.4
531.13403	0.2
547.15509	0.2
557.10748	0.2
575.14819	0.2
593.16150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
57.03409	0.4
63.02367	0.8
65.03953	0.4
67.05479	0.4
69.03406	0.8
70.06590	0.4
70.07169	1.9
78.04688	0.6
79.05457	0.4
81.03397	0.7
81.07028	0.9
81.08537	0.3
83.20721	0.4
85.02874	0.7
87.09186	1.0
89.03358	0.7
89.03904	11.0
91.05461	1.3
93.07006	0.4
95.22414	0.3
97.02862	1.5
102.89137	0.3
106.04192	0.6
107.04939	0.4
107.08569	0.4
117.03364	27.7
119.04941	1.7
121.02817	1.9
123.04412	0.4
124.07571	0.5
127.03899	0.5
133.02812	0.5
134.03596	1.5
135.04417	2.0
137.05952	0.9
145.02832	62.3
146.03148	0.7
147.04428	1.9
149.02325	1.4
149.05966	8.1
151.03850	0.6
158.05945	0.6
161.02332	0.7
161.05817	0.4
163.03883	1.3
167.03387	1.8
175.03854	1.6
177.05449	100.0
178.05779	2.0
179.03369	1.6
186.05476	1.6
187.04057	0.4
189.05423	0.5
191.03523	0.5
197.06035	0.4
200.28639	0.3
217.69333	0.4
223.07538	0.6
226.06282	0.4
227.03551	0.5
239.06987	9.2
240.07770	6.8
241.08458	0.6
241.85133	0.4
245.04420	0.6
252.07787	0.7
254.05806	0.6
255.03090	0.4
255.06483	0.9
263.07065	0.7
267.06488	14.0
268.07269	24.6
269.07953	3.4
279.06500	6.3
281.08084	6.4
285.07584	0.6
287.05432	0.6
292.07269	0.5
293.08047	1.4
295.05978	1.2
297.07547	64.2
298.07941	1.8
307.06100	0.8
307.09650	2.7
309.07648	1.7
311.08984	0.7
315.04990	2.7
321.07559	4.9
327.08667	2.4
330.07239	0.9
333.07492	0.3
335.09012	2.0
339.08658	0.7
345.09729	6.9
351.08356	1.6
353.10120	0.8
363.08633	4.8
381.09644	5.5
399.10715	10.0
400.10953	0.5
417.11752	25.3
418.12143	0.7
423.16254	0.4
557.14484	2.4
575.15393	7.0
593.16473	22.7
594.16455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.5
68.99780	0.4
69.03423	3.6
69.07062	0.7
71.04982	0.4
79.05476	0.5
81.03364	0.6
81.07036	1.0
85.02887	0.9
85.06510	0.3
86.57600	0.2
89.03888	1.4
91.05453	1.8
93.07040	0.5
93.40297	0.2
95.08585	0.5
97.02884	2.2
97.06514	0.4
105.07025	0.6
107.08602	0.5
109.02892	0.5
109.10130	0.7
110.10484	0.3
116.10677	0.3
117.02579	0.4
117.03365	5.2
119.04901	1.2
119.08566	0.5
121.10123	0.3
127.03899	1.7
129.07027	0.8
131.04897	0.4
131.08530	0.3
133.02815	0.5
134.03630	0.5
135.04370	0.4
135.11681	0.3
137.02322	5.3
137.05920	0.5
141.85303	0.3
145.02829	16.5
147.04419	2.0
149.05925	2.1
153.06960	0.9
157.06427	0.7
163.03886	0.5
167.07114	0.3
171.08057	0.6
177.05444	36.1
178.05840	0.9
181.06456	1.8
184.05188	0.2
195.06493	0.8
198.06674	0.4
199.07516	7.4
205.04855	0.3
205.72771	0.3
209.05794	0.4
210.06853	0.3
217.04922	0.3
227.06966	3.7
237.05386	1.5
255.06485	100.0
256.06839	2.0
261.07507	0.3
269.08356	0.5
287.05573	0.4
297.07678	0.6
315.04886	3.2
321.09625	2.9
327.08658	0.6
330.07208	1.4
339.10721	2.9
345.09641	7.4
461.08920	0.5
478.96368	0.3
547.15588	0.4
593.16309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19819	0.1
64.97718	0.1
68.08656	0.1
69.03403	0.3
69.07034	0.1
70.10175	0.7
77.25971	0.1
77.33360	0.1
81.03399	0.3
81.07050	0.2
85.02872	0.4
87.00807	0.2
89.03915	0.3
91.05420	0.1
97.02927	0.3
105.03431	0.1
107.04935	0.4
109.02838	0.2
116.10713	0.2
117.03355	0.8
123.04402	0.6
127.03927	0.1
134.03572	0.2
135.04308	0.3
139.03908	0.2
139.07462	0.2
141.49036	0.1
145.02827	1.7
147.04439	0.5
148.05093	0.2
149.05971	0.4
153.01805	1.4
161.02336	0.2
161.05882	0.1
163.03902	1.0
167.07025	1.1
170.02072	0.3
177.05443	3.5
178.02657	0.6
178.06219	3.8
179.03334	0.4
182.70200	0.1
183.02890	0.2
204.04112	0.3
213.05469	0.3
215.06894	0.2
216.04118	1.0
217.04994	0.3
227.03459	0.3
228.04274	0.2
231.06430	0.7
240.07370	0.2
241.04906	0.8
243.06531	0.5
244.03632	0.8
253.05022	0.2
255.02840	7.9
256.03500	0.4
257.04340	0.2
259.06018	1.6
267.06427	0.5
268.07251	0.4
269.04404	2.1
270.04922	0.2
271.06000	0.3
272.03055	0.4
279.06384	0.2
281.04391	0.6
283.02347	1.4
283.05942	0.7
284.03088	0.4
284.06696	0.8
285.03891	0.3
287.05447	7.4
288.05847	0.2
289.10779	0.3
297.03870	1.6
297.07516	1.5
298.04596	0.3
299.05429	1.4
299.09088	1.0
300.02597	3.2
301.03287	0.2
301.07022	0.4
302.07803	0.2
311.05276	0.6
312.06198	1.2
313.06989	1.1
313.47968	0.1
314.07700	0.2
315.04935	44.4
316.05200	1.3
329.06525	1.0
330.07281	20.4
331.07608	0.7
345.09622	100.0
346.09995	3.5
399.10474	0.2
417.11765	0.3
495.22552	0.3
507.14886	5.2
508.15125	0.3
543.43427	0.1
549.16064	0.2
575.13855	1.8
576.15314	0.2
593.15033	3.4
594.14911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91274	1.2
148.70895	0.2
153.01749	1.5
163.03865	1.0
167.06993	0.6
170.02045	0.4
178.02631	0.3
178.06223	4.2
179.03275	0.3
203.03450	0.3
204.04141	0.5
216.04123	1.6
217.04942	0.4
227.03239	0.4
231.02861	0.3
231.06497	0.8
241.05013	0.8
243.06477	0.7
244.03590	1.0
255.02837	7.3
256.03262	0.3
259.06015	1.6
269.04459	2.3
272.03073	0.5
281.04373	0.5
283.02335	1.3
283.05588	0.4
284.03070	0.6
284.06714	0.3
285.03894	0.3
287.05478	7.1
289.10797	0.3
297.03912	1.8
298.04718	0.4
299.05557	1.2
300.02576	2.8
301.07080	0.4
311.05344	0.7
312.06161	1.2
313.07083	1.0
315.04935	44.6
316.05325	0.8
317.09894	0.3
329.06470	1.4
330.07275	22.4
331.07645	0.5
345.09628	100.0
346.09979	2.3
517.10522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54717	0.1
65.08847	0.2
69.22823	0.2
70.30184	0.2
73.29556	0.2
74.73446	0.2
75.34311	0.2
86.75802	0.2
89.37165	0.2
98.21564	0.3
135.79555	0.2
137.05972	0.6
149.02335	2.8
152.93628	0.2
153.05449	0.7
162.60478	0.2
164.04686	1.7
167.03386	11.9
190.17598	0.2
213.05360	0.3
214.06239	0.3
217.04984	0.4
219.06509	1.2
223.89597	0.2
227.03360	0.6
231.06425	0.3
241.05043	0.5
242.05736	2.6
245.04439	3.2
253.05081	0.2
254.57301	0.2
257.08310	0.2
259.06015	1.0
269.04382	0.4
270.05188	2.2
271.06192	0.2
283.02579	0.2
285.07516	1.3
287.05481	5.8
289.10727	0.4
297.03961	0.4
298.04678	1.9
299.05429	0.7
313.07053	1.9
315.04953	29.0
316.05298	0.7
317.10223	0.3
330.07303	13.0
331.07571	0.4
345.09637	100.0
345.85910	0.2
346.09970	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57435	0.3
69.19780	0.4
70.29597	1.7
97.02921	0.6
98.20805	0.5
106.13023	0.3
107.04926	0.5
109.02882	0.4
116.12328	0.4
123.00732	0.6
124.01530	0.4
137.02350	0.4
139.03860	0.5
145.03951	0.4
147.04399	0.4
151.00238	0.7
152.00996	2.6
153.01784	0.8
161.06003	0.5
163.03880	1.5
164.04633	1.1
167.03387	0.9
167.07022	0.8
170.02086	1.0
177.05527	0.6
178.06241	8.8
213.05499	0.5
216.04170	1.2
231.06505	0.5
237.05394	1.4
238.06223	0.8
241.04933	1.1
241.31213	0.3
243.10205	0.5
244.03644	0.7
255.02821	6.3
255.06570	1.0
259.05981	1.4
265.04849	0.8
266.05676	1.5
267.06390	0.4
269.04385	2.1
271.05853	0.4
281.04385	0.6
283.02332	1.3
283.05978	3.3
284.03107	0.5
284.06766	1.2
287.05457	6.6
288.05899	0.4
297.03940	1.4
299.05606	1.5
299.09079	20.7
300.02621	1.6
300.09521	0.5
312.06174	0.9
313.07050	0.6
315.04944	35.8
316.05225	1.4
329.06607	0.4
330.07294	20.7
331.07535	0.9
345.09644	100.0
346.09976	5.5
549.15942	0.8
593.14923	9.9
594.15045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50150	0.1
70.08649	0.4
70.09045	0.4
82.63469	0.2
85.02873	0.2
97.02921	0.3
98.96497	0.2
104.02039	0.2
107.04919	0.2
109.55998	0.2
123.04433	0.3
137.05942	0.2
147.04407	0.6
153.01793	1.2
161.02400	0.3
163.03914	0.7
163.52876	0.2
167.07056	0.8
170.02037	0.4
177.05504	0.3
178.02675	0.5
178.06230	3.4
179.03323	0.2
193.65607	0.2
204.04170	0.3
213.05353	0.2
216.04120	1.0
217.04935	0.5
219.02617	0.2
227.03389	0.3
228.04231	0.3
231.02858	0.3
231.06490	0.7
241.04893	0.8
243.06465	0.5
244.03661	0.9
245.04449	0.2
255.02844	6.1
256.03516	0.2
259.05960	1.4
269.04361	1.7
272.03195	0.4
281.04349	0.3
283.02362	1.3
283.06039	0.5
284.03049	0.6
284.06717	0.3
284.32928	0.2
287.05457	6.7
294.05164	0.2
297.03848	1.5
298.04697	0.3
299.05548	1.1
300.02655	2.2
301.06949	0.3
311.05530	0.3
312.06241	1.1
313.07019	0.8
315.04935	40.2
316.05273	0.5
329.06558	1.1
330.07272	18.6
331.07574	0.6
344.08524	0.2
345.09628	100.0
346.09955	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	593.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86989	0.2
68.99796	0.3
69.03432	0.4
70.06596	0.2
71.63567	0.3
71.63954	0.2
81.07023	0.2
81.89795	0.2
84.08166	0.2
85.02911	0.4
86.09681	0.2
91.05473	0.2
92.68047	0.2
95.08621	0.2
97.02869	1.4
97.03387	0.2
98.81202	0.2
107.05000	0.2
111.04459	0.2
116.36911	0.2
117.05493	0.2
119.04932	0.2
121.02884	0.2
123.04405	0.2
127.03959	0.3
137.02316	0.2
137.05959	1.5
138.01384	0.2
147.04414	0.3
149.01166	0.2
149.02313	4.0
149.03419	0.3
151.03918	0.3
153.05475	0.8
163.03917	0.3
164.04675	2.5
167.03377	17.6
168.03708	0.3
177.05460	0.4
179.03398	0.5
181.04950	0.4
184.03700	0.3
191.03450	0.2
193.04916	0.2
199.07498	0.2
204.75122	0.2
207.06508	0.2
213.05428	0.5
217.04892	1.0
219.06520	2.4
227.03438	0.8
227.06938	0.2
228.04198	0.2
231.06401	0.8
241.04933	0.8
242.05707	3.2
243.06389	0.2
245.04431	6.2
253.04916	0.2
255.02876	0.5
255.06085	0.2
257.04221	0.2
257.08109	0.2
259.06012	1.4
263.07010	0.3
269.04504	0.6
270.05240	3.2
271.02441	0.4
271.05844	0.3
272.03101	0.3
279.06445	0.2
284.06924	0.2
285.07526	2.2
287.05460	9.5
288.05725	0.4
289.10812	0.6
293.07907	0.3
297.03888	0.5
298.04663	2.8
299.05371	1.0
299.08417	0.2
300.02704	0.3
301.03488	0.3
312.06332	0.3
313.03406	0.9
313.07022	2.8
315.04947	39.0
316.05429	1.4
317.06650	0.2
317.10159	0.3
327.08606	0.4
329.06528	0.3
330.07281	14.9
331.07687	0.8
337.07117	0.2
345.09631	100.0
346.09991	2.5
353.10187	0.4
359.11154	0.3
367.08136	0.4
397.09158	0.5
413.12302	0.7
447.10684	0.3
461.08865	0.2
588.90100	0.2
593.15680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29849	0.1
52.10333	0.1
57.03436	0.1
68.99786	0.2
69.03409	0.4
73.02913	0.2
79.05499	0.1
81.03407	0.3
81.07057	0.2
85.02909	0.4
86.06044	0.2
89.03922	0.5
91.05457	0.1
95.04929	0.1
95.08590	0.2
97.02879	0.3
107.04944	0.4
107.08603	0.1
109.02849	0.2
109.10155	0.2
111.04433	0.1
111.67377	0.1
116.10731	0.2
117.03370	1.0
123.04422	0.5
125.02293	0.1
127.03872	0.2
129.05438	0.1
133.02803	0.1
134.03621	0.2
135.04300	0.2
137.02316	0.2
139.03899	0.2
139.07581	0.1
145.02835	2.9
147.04420	0.5
147.37479	0.1
149.05894	0.6
153.01793	1.4
161.02299	0.3
161.05956	0.2
163.03879	1.3
167.07025	0.8
170.02127	0.3
176.04692	0.1
177.05444	6.0
178.02641	0.5
178.06224	3.4
179.03340	0.5
183.02888	0.3
189.05437	0.1
191.03412	0.3
203.03345	0.2
204.04178	0.4
205.05038	0.2
213.05518	0.3
216.04150	0.9
217.04854	0.7
227.03374	0.4
228.04237	0.2
229.04939	0.2
231.02808	0.3
231.06371	0.8
239.07068	0.2
240.07709	0.2
241.04956	0.8
243.06511	0.6
243.10010	0.1
244.03568	0.8
245.04317	0.3
253.04999	0.3
255.02844	7.5
256.03391	0.3
259.06000	1.8
267.06464	0.7
268.07245	0.7
269.04431	2.3
270.04825	0.2
271.05951	0.5
272.03134	0.5
279.06573	0.4
281.04468	0.7
281.07397	0.2
283.02341	1.6
283.05902	0.6
284.03186	0.5
284.06775	1.5
285.03867	0.3
285.07407	0.2
286.04468	0.2
287.05447	7.2
288.05756	0.2
289.10648	0.2
297.03891	1.7
297.07538	2.9
298.04575	0.3
299.05457	1.2
299.09119	2.2
300.02606	2.7
300.05475	0.1
301.07083	0.5
311.05377	0.4
312.06229	1.0
313.07071	1.0
314.03845	0.2
315.04938	45.2
316.05334	1.3
329.06512	1.2
330.07285	21.2
331.07651	0.9
345.09625	100.0
346.09961	4.5
363.08365	0.3
399.10669	0.1
417.11777	0.3
495.22522	0.4
507.14941	5.2
508.14941	0.3
549.15558	0.5
575.13934	1.9
576.14209	0.2
593.15125	3.2
594.14948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06463	0.3
65.03918	0.3
67.05473	0.4
68.99770	1.0
69.03399	0.6
69.07037	0.4
69.74096	0.3
70.06563	0.4
79.05470	0.5
81.03384	0.9
81.07009	0.4
85.02880	0.8
87.80756	0.2
89.03891	0.6
91.05451	1.6
93.07015	0.5
95.01292	0.3
95.04958	0.5
95.08560	0.4
97.02889	2.0
105.03340	0.6
107.04907	0.6
107.08571	0.3
109.02795	0.3
111.04417	0.5
117.03354	0.8
119.04324	0.3
119.04934	2.9
121.02835	0.9
123.04356	0.8
125.05926	0.3
127.03851	0.4
131.04869	0.5
131.08549	0.3
132.05698	0.6
133.02789	0.4
135.04352	0.3
137.02333	2.3
137.05913	0.8
139.03891	0.3
145.02846	3.4
147.04393	8.5
149.05943	0.6
149.24950	0.3
151.03864	1.1
153.01816	3.3
155.03314	0.9
161.02298	0.6
161.05865	0.5
163.03853	1.2
167.03397	0.5
167.06995	1.1
170.01953	0.6
177.03958	0.4
177.05453	4.4
178.06232	1.6
179.03363	3.2
181.06441	0.5
185.05927	0.4
189.05428	0.4
191.03366	0.4
191.07033	0.3
205.04866	0.3
209.05882	0.3
213.05354	0.6
215.03331	0.3
216.04050	0.4
217.04898	1.1
223.07431	0.3
226.06223	0.3
227.06981	1.2
229.04994	0.3
229.74776	0.4
231.06462	0.4
233.06061	0.6
235.07570	0.5
237.05370	0.6
239.06992	0.4
241.04967	1.8
245.04233	1.6
249.05469	0.3
250.06276	0.6
251.06999	0.6
253.04953	1.6
254.05698	0.6
255.06490	56.3
256.04367	0.3
256.07111	2.5
259.05914	0.9
262.06357	0.5
263.07065	1.3
264.04123	0.3
265.04932	0.5
265.08493	0.4
266.05710	0.6
267.06485	0.9
268.03568	0.4
269.04398	3.4
270.05103	0.4
271.06033	1.4
277.08478	0.7
278.05698	0.9
279.06598	1.5
281.04544	1.9
282.05206	1.5
283.02353	1.5
283.05948	4.3
284.03491	0.4
284.06641	2.3
285.07501	0.5
286.04733	0.4
287.05515	2.9
293.07999	2.2
295.06113	0.7
295.09286	0.5
296.06613	0.3
297.03918	2.8
297.07513	2.2
298.04727	0.8
299.05484	3.9
299.09103	4.4
300.02597	0.7
301.07092	1.4
306.05475	0.4
307.05988	0.6
311.05453	4.7
311.08911	0.3
312.06250	6.3
313.06900	1.3
314.04102	0.7
314.07697	1.5
315.04953	13.2
316.05319	0.5
321.07480	1.6
323.09183	0.8
325.07001	0.5
327.08658	1.9
329.06497	2.1
330.07281	4.9
339.08698	2.4
345.09647	100.0
346.09976	3.2
349.07132	0.9
351.08514	0.8
367.08179	2.9
413.08398	0.5
445.12970	0.4
473.12210	0.9
565.09601	0.3
575.14148	0.4
593.08350	1.9
593.17242	0.7
594.09851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.4
57.03424	12.1
57.07068	42.3
65.03905	1.8
67.05494	61.4
69.07056	16.3
69.23657	1.3
69.66645	1.7
70.84312	3.5
70.84687	2.5
71.04984	2.2
71.08251	2.6
71.08622	31.6
73.29919	1.4
76.17374	1.4
79.05034	3.0
79.05484	36.5
81.07047	70.9
83.08613	10.9
85.10165	14.9
89.05956	1.6
91.05467	18.9
91.63929	1.5
93.07030	50.2
95.04964	2.5
95.08596	64.5
97.06514	2.0
97.10175	7.5
98.44317	1.6
105.07003	15.8
107.08580	27.5
109.10137	29.7
117.07000	7.9
119.08576	12.4
121.10129	25.3
123.11700	14.9
131.08572	13.6
133.10110	12.9
135.11671	20.1
137.13210	4.3
145.10097	9.6
147.11639	9.1
149.13255	11.2
151.14731	1.6
159.11729	9.1
160.59242	1.4
161.13235	8.4
163.14816	8.6
173.13281	8.1
175.14751	2.2
177.16270	1.5
187.14836	7.3
239.23683	5.6
243.21022	12.2
257.24631	1.8
261.22101	61.8
279.22937	2.3
298.22241	1.4
313.27322	100.0
317.24762	11.7
320.37552	1.6
335.25748	61.3
336.25967	2.5
336.74982	1.4
531.15082	1.5
573.48773	20.9
591.49512	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	593.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.1
67.05445	0.2
69.03367	0.4
69.07015	0.1
70.62205	0.4
78.14465	0.1
79.05418	0.2
80.23283	0.1
81.02531	0.1
81.03362	0.3
81.07011	0.3
85.02862	0.3
85.06480	0.1
86.05999	0.1
87.00779	0.1
89.03867	0.2
93.06989	0.2
95.08553	0.1
97.02833	0.3
107.04862	0.2
107.08532	0.1
109.02818	0.1
109.10110	0.1
111.04425	0.2
116.10686	0.1
117.03351	1.0
117.11040	0.1
121.02847	0.1
123.04359	0.4
127.03868	0.2
134.03583	0.1
135.04382	0.2
135.11523	0.1
137.02255	0.2
139.07492	0.2
145.01723	0.2
145.02827	2.5
147.04320	0.4
149.05869	0.3
151.03957	0.1
153.01773	1.1
161.02350	0.3
161.05905	0.3
163.03886	0.9
167.03336	0.1
167.07030	1.0
170.02049	0.3
176.04701	0.1
177.05438	5.0
178.02531	0.5
178.06215	3.8
179.03313	0.5
179.36938	0.1
183.02855	0.2
189.01895	0.2
191.03355	0.2
201.05206	0.1
204.04106	0.3
213.05345	0.2
216.04137	1.3
217.04942	0.5
227.03377	0.4
228.04094	0.3
231.02774	0.4
231.06465	1.0
239.06935	0.3
240.07742	0.2
241.04945	0.7
243.06578	0.7
243.21817	0.1
244.03641	1.0
245.04262	0.1
255.02832	6.9
256.03235	0.4
257.04208	0.1
259.06006	1.5
260.06262	0.1
263.30594	0.1
267.06396	0.5
268.07266	0.5
269.04407	2.3
271.06039	0.4
272.03088	0.4
279.06564	0.3
281.04465	0.4
283.02310	1.6
283.05920	0.9
284.03104	0.4
284.06686	1.2
285.03876	0.3
285.07468	0.3
286.08075	0.1
287.05450	7.5
288.05783	0.3
289.10657	0.3
295.05981	0.2
297.03864	1.7
297.07504	2.4
298.04623	0.3
299.05429	1.2
299.09061	2.2
300.02618	2.7
301.07016	0.5
302.07736	0.2
307.09714	0.1
311.05475	0.4
312.06284	1.1
313.07037	0.9
314.04288	0.2
314.07764	0.2
315.04926	42.7
316.05319	1.7
317.09991	0.2
321.07489	0.2
322.52869	0.1
327.08810	0.2
329.06586	1.3
330.07269	20.5
331.07693	0.9
337.17453	0.1
339.09009	0.1
345.09613	100.0
346.09970	4.2
363.08670	0.3
399.10785	0.3
417.11612	0.4
494.22467	0.1
495.22458	0.2
507.14923	5.4
508.15427	0.4
549.15784	0.6
575.13995	2.4
593.15051	4.2
594.15540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43894	3.7
53.03938	4.1
55.05499	11.9
57.03421	12.9
57.07066	35.1
67.05495	20.2
69.07060	10.0
70.04865	4.7
71.08626	26.7
71.49976	7.6
79.05483	14.1
81.03401	35.5
81.07047	26.0
82.07382	3.7
83.08609	21.0
84.66246	3.3
85.10139	11.9
88.21555	4.3
91.05444	21.6
93.07045	19.6
94.07348	5.5
95.04951	7.3
95.08588	19.2
97.10184	5.5
105.07006	21.8
107.08568	8.9
109.10150	11.9
117.07005	4.3
119.08571	19.9
120.08944	3.8
131.08562	7.5
133.10109	11.0
135.11679	6.1
145.10188	6.3
147.11644	10.9
157.10121	7.0
159.11638	6.5
161.13272	10.3
175.11359	4.1
175.14835	6.6
185.13220	5.1
185.33774	4.1
193.12227	11.5
225.39253	3.8
241.19551	13.2
242.19836	7.5
259.20566	21.0
260.20956	24.3
267.15897	85.9
267.18546	7.2
278.21921	4.8
309.72931	4.0
313.27325	100.0
314.27634	37.6
333.24112	15.7
334.24399	18.8
505.38849	61.2
506.39185	5.7
572.47571	5.7
590.48505	10.5
591.38519	6.9
597.20233	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	591.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64576	3.0
53.03922	9.4
54.75137	2.6
55.01866	8.2
55.05494	18.7
57.03410	10.0
57.07057	9.0
61.52230	2.9
67.05504	28.1
69.03418	22.5
69.06694	5.5
69.07060	100.0
69.35953	35.2
70.06577	6.3
71.04978	7.2
71.50626	3.4
73.02896	6.1
76.28757	2.9
79.05482	27.0
81.03413	25.1
81.07047	84.1
83.08597	13.2
85.02890	58.6
85.06541	19.2
87.00824	23.0
91.05471	17.1
93.07030	43.6
95.04957	7.7
95.08592	62.1
97.02882	26.3
97.06503	12.5
97.10144	6.2
99.04433	6.8
99.08091	20.0
105.01849	12.8
105.07028	28.8
107.08579	42.5
109.02879	21.8
109.06554	4.4
109.10139	38.5
111.08083	5.5
111.11711	29.5
113.09573	7.1
115.03846	3.7
119.08554	23.1
121.10110	35.2
123.08054	5.8
123.11666	28.3
127.03903	34.3
131.08563	7.4
133.10083	17.5
135.08093	3.8
135.11687	50.3
137.05942	6.3
137.09595	5.8
137.13226	9.7
139.11162	22.8
145.02782	6.0
145.04924	12.7
145.10118	11.9
147.04393	9.2
147.11684	17.9
149.13277	15.2
150.05495	7.0
151.11078	3.8
153.12698	27.6
159.02873	7.6
159.11699	20.0
161.13245	10.3
162.03131	5.6
163.14796	8.8
165.12769	6.1
173.13254	6.8
175.14752	6.0
177.05412	6.1
177.16335	15.7
187.14777	6.8
189.09186	3.7
195.17422	8.2
201.16315	3.3
213.18448	20.4
219.79083	3.0
227.20056	4.5
271.24170	9.6
277.25201	9.6
289.25214	30.0
295.26239	29.5
297.07443	3.2
307.26263	47.5
315.13275	8.4
325.27289	42.3
326.85382	4.0
339.94510	3.6
343.08032	14.1
343.28232	8.5
415.28003	3.7
547.15753	8.8
590.24561	3.5
591.13794	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	590.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
53.82772	1.9
54.39141	1.8
55.01864	5.6
55.05506	15.8
57.03428	3.8
57.07063	4.0
60.04505	3.1
65.03924	2.8
67.05497	38.0
69.03417	6.9
69.07064	11.0
70.32776	8.5
71.04973	3.9
73.27943	2.4
79.05481	34.6
81.03409	6.0
81.07047	43.2
82.06548	4.0
83.04968	4.8
83.08603	9.1
84.04455	2.1
85.02888	8.9
85.06535	2.3
85.23116	2.1
88.74255	2.1
91.05471	36.1
91.05994	4.0
93.07034	44.2
95.04964	13.5
95.08585	35.6
97.02881	100.0
97.06528	7.8
97.10153	3.1
99.04431	2.6
105.07022	28.7
107.04968	5.3
107.08591	19.0
109.06505	7.3
109.10130	11.4
111.08077	3.1
117.07016	13.1
119.07328	2.1
119.08580	26.5
121.06500	4.4
121.10114	18.0
123.08074	6.9
123.11699	2.8
125.92918	2.3
128.06195	3.6
129.07024	10.1
131.04880	3.3
131.08534	25.7
133.06461	6.0
133.10112	18.2
135.07928	2.5
135.11676	9.6
136.86832	2.0
137.05984	2.3
138.09155	6.3
139.07486	3.3
141.07008	5.0
142.07712	2.6
143.08537	10.3
145.06490	4.7
145.10107	15.9
147.08017	5.0
147.11673	12.6
149.13289	5.0
154.58389	2.1
155.08522	7.2
157.10129	9.8
159.08017	5.8
159.11665	17.2
161.09546	4.2
161.13248	4.5
163.11082	3.6
167.08545	2.6
169.10085	6.0
171.08070	4.3
171.11670	8.7
173.09537	2.8
173.13258	7.9
173.94608	2.1
175.14868	3.0
181.10158	3.3
182.10730	2.6
183.11697	5.6
185.09610	2.0
185.13226	5.0
187.11101	3.9
187.14787	4.2
189.12727	2.6
195.11617	3.9
197.13220	4.4
199.14755	4.1
201.12648	2.9
215.14317	2.4
217.61870	2.6
221.15602	2.6
253.19508	2.5
259.20654	4.3
273.22064	2.1
275.20123	3.1
277.21600	8.2
301.21707	2.5
303.23175	4.8
311.23642	3.8
321.22104	2.3
327.22806	2.3
329.24850	8.0
339.23257	11.4
345.24246	3.8
357.24161	17.4
375.25250	74.9
393.26291	4.9
410.32712	3.2
446.24872	2.4
537.30298	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	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	1.5
55.05505	16.5
55.68400	1.3
57.03437	11.6
57.03687	2.3
57.06804	2.3
57.07067	39.4
65.03924	1.8
67.05495	42.2
69.07056	19.5
69.91319	7.5
71.04977	2.9
71.08617	29.7
79.05485	29.6
81.07045	44.2
83.08611	17.0
85.06519	2.5
85.10163	15.4
89.06019	1.7
91.05463	45.5
91.87172	1.3
93.07030	33.9
93.07584	2.3
95.04948	4.0
95.08592	39.0
97.06523	2.8
97.10144	6.8
99.08070	2.1
103.07596	1.6
105.07018	45.8
107.08595	19.8
109.10139	16.0
111.08077	1.8
111.11755	1.8
115.05503	1.5
117.07018	12.7
119.08566	43.0
121.10128	16.6
123.11694	6.1
129.06990	8.8
131.08557	18.1
131.09473	2.3
133.10109	35.9
135.11659	16.7
137.13206	2.4
143.08553	8.4
145.10081	15.0
147.11673	38.4
149.09595	1.4
149.13234	13.5
151.11151	2.1
157.10104	6.6
157.18404	1.8
159.11681	16.0
161.13240	37.7
163.11153	2.0
163.14851	3.3
171.11690	13.1
173.13266	11.9
175.11058	1.7
175.14821	16.9
179.14339	3.0
185.13242	11.4
187.14693	3.3
189.12769	2.6
199.14769	7.8
213.16322	3.1
215.17969	1.9
217.19402	2.0
231.21022	9.4
239.23671	4.9
241.19485	40.2
257.24768	2.3
259.20541	100.0
260.21008	3.3
275.19891	2.4
277.21634	5.1
313.27322	98.8
314.27765	3.3
315.23068	4.5
320.46445	1.4
333.24179	51.3
334.24542	2.7
351.25122	1.7
516.63281	1.5
571.47107	9.2
589.48236	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.2
55.33963	7.3
57.07068	65.7
62.05332	6.4
67.05499	61.5
67.79949	6.8
69.07059	29.3
71.08605	29.0
71.53896	17.6
71.65923	7.5
73.61092	6.6
79.05074	9.3
79.05488	44.8
81.07045	43.2
83.08610	16.3
85.10177	17.3
91.05462	71.4
93.07036	61.9
95.08580	53.7
105.07005	83.3
107.08586	33.5
109.10154	23.9
117.07018	13.0
119.08535	57.8
121.10149	11.9
123.11692	8.2
129.06956	11.1
131.08574	23.1
133.10138	36.9
135.11690	14.3
143.08530	7.5
145.10098	20.7
145.86877	8.0
147.11674	47.6
149.13290	11.5
149.57817	7.4
157.10168	11.4
159.11702	19.8
161.13269	36.3
171.11700	15.6
175.14854	14.1
185.13248	9.2
239.23766	8.9
241.19484	49.0
259.20541	95.3
270.39569	9.0
277.21573	10.9
312.57751	7.2
313.27286	100.0
333.24329	44.5
571.46448	9.8
589.48022	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56767	1.7
53.95577	1.6
55.05507	16.3
57.03431	12.3
57.07071	40.0
57.07504	2.5
67.05496	35.6
67.09097	1.7
68.48111	1.7
69.07058	15.4
71.04971	2.0
71.08620	29.3
71.38690	3.1
78.56902	1.5
79.05492	27.8
81.07047	43.4
83.05014	2.3
83.08604	13.2
85.06527	3.7
85.10158	15.4
91.05467	40.7
93.07033	37.5
95.04974	4.3
95.08598	43.3
97.10163	5.0
99.08112	2.7
105.07015	48.5
107.08582	19.2
109.10134	16.5
111.11777	2.3
117.07014	9.1
119.08562	42.2
121.10129	13.9
122.08253	1.9
123.11716	4.4
129.06979	9.9
131.08553	22.4
133.10115	36.9
135.11679	16.4
137.13274	2.0
143.08534	4.5
145.10080	20.9
146.56326	2.1
147.11653	36.1
149.13223	13.9
157.10139	6.7
159.11688	16.9
161.13237	30.9
163.11165	1.9
163.14777	3.5
171.11700	10.8
173.13278	8.0
175.14824	10.1
177.12714	2.0
185.13248	8.4
187.14781	4.4
199.14778	5.9
213.16356	3.3
231.21080	7.5
239.23653	4.3
241.19482	42.9
259.20544	90.3
260.20786	2.2
264.62735	1.7
275.20038	1.8
277.21652	2.0
313.27313	100.0
314.27658	1.8
315.23193	6.6
333.24188	45.2
415.15820	2.0
482.73193	2.0
543.14697	2.0
571.47168	10.8
589.48102	12.4
606.39764	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	589.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55940	3.7
53.03940	9.9
55.01875	13.2
55.05504	22.9
57.03425	29.6
57.07084	3.8
61.43044	3.2
65.03933	11.3
67.05492	90.6
69.03421	8.7
69.07062	17.7
70.81740	12.1
71.04979	7.5
79.05483	77.8
81.03404	11.6
81.07047	80.2
83.04975	11.7
83.08606	14.9
85.06531	19.5
91.05466	73.1
93.07028	75.4
95.01251	3.7
95.04955	95.7
95.08594	39.1
97.02834	4.7
97.06541	14.3
97.10167	8.3
104.10672	3.3
105.07021	57.3
107.04910	18.2
107.08579	31.5
108.95670	3.6
109.06506	77.1
109.10163	12.5
111.08107	4.6
113.05988	53.7
115.05441	4.8
117.07009	23.3
119.08546	41.5
121.06504	12.2
121.10146	10.0
121.72516	3.6
123.08076	12.4
128.06152	5.6
129.06992	23.2
131.08575	29.3
133.06496	4.1
133.10126	23.1
135.08037	50.9
135.11662	11.6
140.60509	3.7
143.08572	18.9
145.06483	3.6
145.10078	22.9
147.08054	15.1
147.11676	29.6
149.09601	8.2
149.13187	5.1
157.10129	13.3
159.07971	7.5
159.11627	16.7
161.09659	11.6
161.13232	11.3
163.11168	11.2
169.10194	4.3
171.11691	13.2
173.13278	5.9
177.12750	9.8
178.06268	5.2
184.07394	9.9
189.12813	6.2
199.14787	4.4
201.12692	5.7
207.13805	9.0
217.15904	18.4
223.13297	4.8
254.99992	3.5
255.17424	4.0
273.18472	59.2
274.18710	4.3
275.19977	8.9
279.15927	10.8
281.17371	42.4
287.05524	5.3
291.19513	100.0
291.22739	5.4
315.04947	14.1
330.07275	5.9
345.09665	43.9
347.22198	11.0
365.23196	16.1
409.51108	4.2
412.80811	3.6
553.35370	7.1
571.36285	38.7
589.36285	6.1
608.71210	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	589.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.05502	17.3
57.03426	11.0
57.07067	52.3
67.05495	38.0
69.07052	20.1
69.35275	11.3
69.35700	13.4
71.08622	31.9
79.05483	30.9
81.03410	4.1
81.06609	4.1
81.07047	45.9
83.08609	15.9
85.06541	4.2
85.10159	13.4
91.05468	42.0
93.07035	36.9
93.07589	3.6
95.04938	5.3
95.08595	44.4
97.10165	8.2
99.08116	3.1
105.07019	43.5
107.08583	22.8
109.10135	15.1
111.07983	2.8
117.07011	9.9
119.08570	38.2
121.10138	15.1
123.11694	5.0
129.07013	7.6
131.08553	17.4
133.10121	26.1
135.11687	14.0
137.13237	3.2
143.08578	6.3
145.10120	15.1
147.11676	32.9
149.13231	9.6
157.10130	8.5
159.11633	12.0
161.13246	23.3
171.11685	8.8
173.13281	9.5
175.14819	9.0
175.39944	2.8
179.14272	3.2
185.13246	8.8
199.14818	6.0
231.21098	8.3
239.23618	5.8
241.19441	26.9
259.20541	57.8
267.15912	7.4
275.20068	2.6
313.27322	100.0
315.23026	5.9
324.46640	2.4
333.24158	41.3
344.73846	2.7
360.42236	2.9
505.38919	3.8
571.46912	8.8
589.48022	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	589.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
55.01864	6.3
55.05503	14.1
57.03443	5.1
57.07051	3.3
59.04987	5.7
61.02910	3.4
65.03915	1.3
67.05498	9.9
68.99782	3.6
69.03423	25.6
69.07058	100.0
70.19357	0.8
71.04987	5.8
71.59515	1.6
73.02898	4.3
79.05486	10.0
81.02950	1.8
81.03409	24.5
81.07043	22.7
83.04986	2.2
83.08622	4.9
85.02894	54.8
85.06525	3.0
87.00819	17.4
91.03956	1.4
91.05460	14.4
92.49599	1.2
93.07037	21.4
95.04952	4.3
95.08591	20.0
97.02261	1.2
97.02882	20.5
97.06529	8.1
97.10146	2.8
99.04441	13.2
99.08076	3.8
103.05492	1.2
105.01856	10.9
105.07021	32.9
107.08579	16.0
109.02868	21.0
109.06506	2.6
109.10151	13.2
111.08091	1.5
111.11703	29.8
115.03913	0.9
117.01857	2.1
117.07018	2.7
119.04939	1.2
119.08563	21.0
121.06417	1.4
121.10127	37.3
123.08085	1.6
123.11725	5.4
125.09612	1.3
127.03899	32.6
129.01831	2.8
129.06995	2.5
129.12737	2.3
130.07813	1.1
131.08563	7.5
133.10109	72.1
135.08043	2.1
135.11662	6.2
137.05988	1.7
137.13257	3.8
139.11169	22.5
142.07736	3.6
143.08575	2.6
145.02823	1.1
145.04941	8.1
145.10109	11.8
147.02859	2.1
147.04379	2.4
147.11671	11.7
149.09599	1.9
149.13237	15.0
151.11157	3.7
157.10107	7.5
157.12254	4.1
159.02901	10.0
159.11679	10.6
161.06020	1.1
161.09618	1.3
161.13280	1.8
163.11269	1.0
165.12772	2.3
167.14307	2.0
171.11653	1.9
173.13252	3.2
175.11171	9.1
175.14825	2.9
177.05457	2.3
177.16402	4.3
185.13231	3.8
187.14795	2.0
189.16406	1.0
191.14244	1.2
193.12106	1.0
195.17490	2.8
199.14760	2.1
201.16298	1.0
211.16924	2.4
213.16516	1.8
213.18521	2.7
231.04945	4.9
269.22577	3.5
275.23724	9.6
287.23672	9.0
293.24728	4.6
303.23288	0.9
305.24646	14.5
323.25812	11.8
326.11249	0.9
338.77737	1.3
341.26776	10.1
347.25827	1.3
383.11273	1.1
463.46909	1.3
541.78137	1.2
589.09680	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	589.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01850	4.5
55.05502	16.6
57.03423	3.9
57.07069	2.1
59.04977	5.7
61.02913	3.1
67.05495	8.2
68.99761	3.1
69.03422	25.7
69.07058	100.0
69.23572	4.8
69.23993	10.9
71.04989	7.0
73.02904	3.6
79.05486	9.4
81.03409	18.9
81.07044	23.4
83.04980	2.0
83.08592	5.8
85.02894	49.3
85.06523	2.9
87.00813	16.7
91.03940	1.7
91.05472	17.0
93.07030	23.3
95.04970	3.6
95.08588	19.0
97.02874	13.5
97.06502	7.7
97.10156	3.8
99.04433	7.8
99.08101	2.9
105.01859	12.6
105.07021	33.1
107.08582	11.2
109.02845	16.9
109.06509	1.4
109.10132	14.2
111.08053	1.9
111.11703	28.0
115.03952	1.5
115.11175	1.5
117.01823	1.9
117.07006	3.0
119.04918	2.1
119.08569	22.1
121.10125	36.9
123.11687	5.7
125.09538	2.1
127.03896	25.3
129.01794	2.2
129.12737	2.4
131.08527	7.0
133.10110	77.8
135.11682	6.0
137.13240	3.9
139.11160	23.2
142.07756	2.9
143.08556	1.6
145.04903	9.2
145.10097	9.1
147.02959	1.5
147.11668	10.1
149.09618	1.6
149.13249	13.2
151.11168	3.4
157.10132	8.2
157.12215	4.6
159.02892	9.9
159.11658	11.5
161.13292	1.8
163.11153	1.4
167.14290	2.0
171.11684	2.8
173.13287	3.7
175.11172	10.5
175.14769	3.0
177.05339	2.9
177.16327	4.2
185.13272	3.6
185.15349	1.4
187.14780	3.0
191.14293	2.0
193.15712	1.6
193.66611	1.3
195.17450	3.6
199.08780	1.4
199.14781	2.5
205.15848	1.3
211.16948	4.2
213.16402	2.2
213.18454	3.2
231.05000	5.2
269.22766	2.6
275.23596	11.3
279.23138	1.6
287.23596	10.0
293.24658	2.7
305.24695	17.3
313.38458	1.5
315.13614	1.4
323.25787	9.1
331.23633	1.3
341.26840	7.4
438.15045	2.0
528.95197	1.6
571.20667	3.8
589.24951	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	588.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81868	0.8
64.62981	0.9
65.03929	3.6
67.05496	1.1
69.03415	1.2
85.02871	1.0
91.05471	4.8
93.03394	4.1
95.04971	1.4
97.02879	100.0
107.04899	1.0
109.54939	1.0
111.04399	1.1
115.05441	1.3
119.04921	12.6
121.02866	2.3
127.03871	1.0
131.04932	1.6
131.06989	2.7
131.08545	3.8
141.06970	2.1
144.05673	3.0
147.04385	69.2
149.02330	4.9
157.06447	2.2
158.07292	1.4
159.04373	3.8
159.08034	20.4
161.05861	1.0
167.03381	28.0
169.06445	6.4
171.08038	3.6
173.06041	1.9
175.07550	1.3
177.05458	1.4
185.05975	1.7
187.07512	10.5
189.05515	2.5
191.03313	1.0
197.05946	8.8
199.07462	1.3
201.09151	2.2
204.07788	2.4
215.06963	15.8
217.04797	1.8
229.08586	3.5
229.72746	1.2
231.02852	12.4
241.08589	1.6
243.06497	5.8
255.06566	1.3
261.07541	56.9
262.07788	1.4
273.07547	15.4
279.08548	9.8
285.34387	0.9
287.09000	1.0
315.08463	4.4
333.09988	1.5
408.54568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01863	1.9
57.03431	2.2
61.02904	1.1
64.15442	0.9
67.05468	1.4
69.03423	8.8
71.04974	1.1
79.05491	2.4
81.03408	8.2
81.07061	2.2
85.02892	15.3
87.00805	4.8
91.05476	4.2
94.04171	2.9
97.02890	9.2
97.06502	1.2
98.20677	2.3
99.04446	3.3
103.05440	1.7
105.01846	3.0
105.07008	6.3
107.04948	1.7
109.02863	8.0
109.06483	1.4
115.05446	3.4
117.03378	1.2
117.07027	1.7
119.08583	2.7
121.92277	0.9
122.03643	7.4
123.04377	0.9
127.03894	13.9
129.06917	2.4
131.04884	1.5
131.08458	1.0
132.05690	2.4
133.06499	3.9
136.06180	7.9
137.05960	100.0
138.06285	1.2
141.06963	1.4
145.02841	1.8
145.04970	4.4
145.06549	1.4
146.03600	1.6
147.04430	3.0
147.08034	3.8
149.05966	2.6
151.03920	1.5
156.81641	0.9
157.06523	1.1
159.02888	4.6
159.08000	2.0
160.05157	2.1
161.05962	18.5
162.04063	4.9
163.07558	1.1
171.07980	1.3
175.07530	32.2
177.05434	3.9
179.07092	2.1
184.05251	1.8
187.07515	9.4
189.06950	1.3
189.09119	1.7
190.07825	1.7
191.08568	7.3
199.07544	7.4
202.07770	3.5
203.08470	7.3
207.08029	1.0
217.08542	1.7
218.07310	2.1
219.08052	12.8
220.08810	3.8
231.08006	11.4
232.08832	2.2
235.07504	1.6
236.08290	2.8
237.08936	1.6
247.07495	5.5
248.08286	5.5
251.10677	12.6
259.07483	5.4
260.08353	2.9
261.08871	1.2
263.10696	6.6
264.07932	2.0
265.08524	1.7
275.07114	1.6
276.07843	4.9
277.08493	3.3
279.10156	9.2
280.10815	2.0
281.09897	4.3
291.10123	15.2
292.10748	2.4
293.08151	1.1
295.09689	1.2
295.12967	1.1
296.10474	1.1
303.10193	1.5
308.10437	2.8
311.12732	31.3
312.13089	1.3
315.08847	1.1
321.11188	1.9
323.12708	24.6
335.12726	2.2
341.13785	2.1
353.13943	1.1
401.13797	1.1
457.14685	1.6
589.15179	1.9
609.82642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01849	0.4
55.05508	0.5
57.03419	0.7
61.02911	0.3
63.92080	0.3
67.05492	0.6
69.03413	1.4
69.07046	0.5
70.06593	0.4
71.01347	0.5
71.04981	1.0
75.04446	0.6
78.51939	0.3
79.05486	1.2
81.03420	0.8
81.07027	1.1
81.11185	0.3
83.04948	0.4
85.02906	2.7
87.04461	0.4
91.05475	2.2
93.07034	7.0
95.04968	1.2
95.08574	0.8
97.02882	16.7
97.06525	0.5
98.20750	0.9
99.04450	0.8
105.06997	1.9
107.04953	0.6
107.08578	1.4
109.02858	1.1
109.06508	0.4
109.10221	0.4
111.04433	0.6
111.08050	0.4
115.03930	0.5
117.07014	0.8
119.04922	0.9
119.08566	6.1
121.06520	0.4
121.10130	5.1
123.08077	0.4
127.03901	100.0
128.04214	0.5
129.06978	0.8
131.08551	1.4
133.10109	0.4
137.05968	0.4
141.06975	0.3
143.08528	1.2
145.10078	0.8
147.04390	2.3
147.08022	0.6
149.05968	0.9
149.09624	0.9
151.03859	0.3
157.10101	0.4
159.07944	0.5
159.11681	0.8
161.09674	0.4
163.07512	0.5
163.11134	0.3
171.11638	0.6
177.05508	0.3
189.09097	1.2
189.12692	0.4
199.11177	0.9
203.10698	0.5
217.12222	2.4
227.10660	0.5
245.11691	2.1
263.12759	0.9
281.13965	0.6
289.09116	3.2
298.51425	0.4
493.27170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.5
55.01863	10.3
55.05495	17.3
57.03438	12.1
57.07075	7.9
58.10527	6.5
67.05497	15.3
69.03426	36.3
69.07062	19.0
69.26054	74.3
70.06557	8.6
71.04992	9.3
71.08617	10.2
72.08164	5.9
79.05489	22.1
81.03399	36.4
81.07045	27.3
82.06584	8.2
83.04995	12.4
83.08609	20.3
84.04506	15.6
85.02892	56.0
87.00817	19.1
90.11674	6.0
91.05473	50.7
93.07025	39.2
94.60289	7.7
95.04946	14.4
95.08578	34.0
97.02882	44.2
97.06532	29.7
98.29014	7.3
99.04449	18.2
99.08081	23.8
105.01888	13.7
105.07008	40.3
107.04936	10.2
107.08576	40.6
109.02867	28.3
109.06487	8.1
109.10160	30.8
111.04429	7.0
111.08061	9.2
117.03377	9.7
117.07030	21.0
119.04910	15.1
119.08564	73.2
121.06593	6.6
121.10140	35.5
123.04437	14.3
123.08035	6.6
123.11694	11.4
125.05961	9.0
127.03883	43.0
128.07127	8.1
129.07010	10.5
130.07755	7.9
131.07684	6.4
131.08504	36.3
133.06502	11.8
133.10115	48.4
135.08005	8.6
135.11656	15.6
137.05965	23.8
137.09604	17.8
139.11180	16.8
142.07787	9.3
143.08563	16.6
145.02763	11.0
145.04948	10.6
145.10107	91.4
145.12096	8.3
146.05910	7.2
147.04390	23.6
147.08044	31.4
147.11630	29.4
149.09598	11.0
155.08546	9.8
156.09320	10.8
157.10130	27.6
158.10872	7.1
159.02855	10.3
159.07971	8.3
159.11699	26.0
161.09586	14.0
161.13194	12.3
163.07555	7.6
163.14738	7.2
165.09093	22.2
167.07111	11.3
169.10092	12.9
171.11679	29.7
172.12439	10.5
173.09570	17.7
173.13228	38.0
175.11221	7.3
175.14912	15.1
177.05394	35.1
183.11655	22.2
184.12343	6.9
185.13249	23.4
187.11195	15.0
187.14793	85.9
188.15591	19.2
189.09033	7.3
189.16373	12.7
197.13228	10.3
199.11234	14.9
199.14696	12.0
201.12816	12.4
205.06438	11.0
205.15831	61.9
207.06535	17.7
209.13307	8.0
211.14787	8.4
213.12695	7.8
217.12245	9.5
225.12662	14.3
227.14218	13.3
231.05009	11.8
239.17960	10.1
243.13748	17.9
245.15384	14.9
257.19092	21.2
267.17331	17.5
277.04935	11.4
285.18436	100.0
286.18854	8.9
291.06497	7.9
303.19476	59.2
375.16956	7.2
411.10739	12.3
433.93958	6.7
470.08664	7.3
476.49841	6.7
523.89288	6.9
546.87128	7.2
578.06384	7.0
586.26361	20.1
587.14410	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	585.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80973	2.1
53.03928	9.8
54.75146	2.1
55.01865	29.8
55.05236	3.9
55.05503	70.2
57.03436	3.4
57.07061	3.3
59.04979	4.3
59.18121	2.3
63.42075	2.4
65.03927	4.8
67.05138	4.6
67.05496	79.2
69.03412	8.4
69.06693	3.3
69.07058	58.7
70.06577	3.4
71.04984	7.8
79.05483	62.4
81.03398	9.5
81.07043	66.9
83.04987	12.4
83.08613	31.7
85.02863	3.7
85.06532	5.5
88.07652	2.5
91.05463	53.9
93.07030	58.3
95.04934	18.3
95.08588	54.1
97.06521	30.7
97.09578	3.4
97.10158	41.2
105.07019	60.0
107.04936	15.9
107.08582	51.4
109.06491	9.7
109.10133	31.1
110.87274	2.4
111.08057	7.4
115.05455	3.8
117.06990	23.9
119.04914	2.4
119.08556	43.9
121.06492	5.9
121.10136	25.1
123.08024	6.5
123.11670	6.9
125.09612	34.0
128.06148	4.7
129.06963	18.0
131.08545	38.6
133.06497	3.7
133.10109	45.2
135.08026	9.7
135.11671	14.1
137.05882	2.7
137.09581	6.4
139.11143	2.7
141.06953	8.8
142.07814	2.7
143.08531	15.9
145.06488	6.3
145.10098	34.8
147.08015	6.5
147.11642	22.6
149.05998	2.3
149.09615	18.8
149.13194	5.0
151.07513	2.9
151.11209	3.0
153.06966	3.2
153.08987	3.2
154.25343	2.3
155.08534	9.6
157.10114	16.6
159.08025	4.1
159.11681	22.5
160.83377	2.2
161.09622	3.7
161.13239	9.8
163.11182	9.2
165.09125	3.2
167.07091	2.7
167.08565	5.5
169.10080	12.7
170.10680	2.8
171.11662	21.7
173.09605	3.2
173.11922	2.7
173.13210	14.6
175.11212	6.1
175.14783	4.6
177.12685	5.1
178.06163	2.7
179.14268	2.8
179.36934	2.4
181.10129	6.0
181.12363	3.3
183.11655	14.0
185.13229	7.4
187.11125	6.8
187.13258	3.1
187.14818	6.1
189.11157	24.3
189.12689	4.2
193.05032	5.1
193.08244	2.2
193.10220	3.9
193.12119	2.6
195.11700	6.1
197.13237	12.3
199.14804	5.4
201.12720	3.7
201.16353	5.5
203.14488	2.9
205.12100	3.0
207.13887	2.6
208.31885	2.4
209.13275	6.8
211.14772	6.6
213.12810	4.3
213.16321	8.2
215.17856	3.2
221.13261	4.2
221.15428	3.7
223.14938	4.4
225.16296	4.0
228.23148	4.2
229.19504	3.4
233.15254	3.2
239.17943	8.2
241.08594	12.0
257.19019	9.6
257.38345	2.2
263.17670	2.6
263.20215	2.7
273.18622	2.4
275.20023	100.0
275.23080	5.0
275.94601	2.6
276.20367	3.8
277.21573	2.8
285.18796	2.3
285.22122	3.6
287.20090	6.6
291.19543	13.4
293.21109	15.3
299.20685	2.5
301.21631	4.7
303.19687	3.0
309.21783	3.0
315.04929	7.7
325.21954	3.2
330.07391	5.4
339.22989	2.6
341.24765	3.2
345.09683	10.1
381.27942	11.0
383.29431	5.2
385.08652	3.1
395.29333	5.4
398.30698	2.3
399.29065	15.2
413.29706	2.8
419.29340	3.0
421.30890	3.4
437.30524	4.2
441.29977	6.2
453.33405	3.5
455.31326	9.2
457.33551	2.6
473.32684	12.0
531.38123	7.5
549.38977	11.6
567.22223	3.9
567.40295	31.8
585.23700	14.4
585.31775	5.0
585.41321	31.7
586.30237	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	22.4
56.54874	5.6
56.99649	5.6
59.26149	4.6
64.99178	5.3
65.03934	9.3
67.05497	48.4
69.01722	4.9
69.03427	5.8
69.07053	28.3
70.74382	19.6
79.05482	36.7
81.03405	8.5
81.07047	73.4
83.04981	9.0
83.08598	6.9
85.06528	5.6
88.08375	5.3
91.05482	61.2
93.06509	7.0
93.07038	79.6
95.04957	30.0
95.08598	61.3
103.05457	7.6
105.07012	85.6
107.04926	8.6
107.08597	84.3
109.06490	21.2
109.10146	62.1
112.16778	5.5
115.05454	7.2
117.07005	19.9
119.08565	90.3
121.06440	8.4
121.10143	100.0
123.08055	11.3
123.11678	23.4
125.09634	7.0
128.06206	11.1
129.06996	19.2
130.07785	6.2
131.08565	52.2
133.10095	92.7
135.08070	26.5
135.11694	54.3
137.09592	15.1
139.11179	7.6
141.06996	9.3
142.07773	20.5
143.08549	41.6
143.48836	5.6
144.09280	9.5
145.10098	73.4
147.11678	44.6
149.09590	17.0
149.13252	12.3
155.08516	16.1
156.03329	5.4
156.09320	10.2
157.10114	46.7
158.10870	10.7
159.11659	42.9
161.09625	11.5
161.13225	13.0
163.11256	12.2
167.08563	12.1
168.09340	9.7
169.10110	27.4
170.10905	7.6
171.11687	37.3
172.10962	5.1
172.12411	7.3
173.13232	28.4
175.14816	35.8
179.08519	8.6
179.14249	20.1
180.09309	5.9
181.10094	12.3
183.11691	22.4
184.12354	6.6
185.13237	28.7
187.11230	8.9
187.14775	21.9
191.14386	7.0
193.10110	8.2
194.10822	9.0
195.11705	30.3
197.13280	16.4
199.14810	23.3
201.16348	13.6
207.02837	49.2
207.11705	11.0
208.12622	6.9
209.13165	18.2
211.14848	17.7
213.16319	12.2
217.10066	6.0
220.12468	7.3
221.13351	13.9
223.14839	11.9
233.13301	7.9
235.02292	27.5
235.14749	9.2
239.14362	8.5
239.17867	8.1
253.15919	6.5
257.19043	10.7
263.17917	11.3
265.19553	8.1
267.20895	7.9
283.20627	8.6
285.22015	12.2
349.27612	26.8
351.28952	11.1
407.33771	5.8
411.56284	5.3
429.31387	13.0
549.40320	12.7
567.41687	28.4
585.43164	32.7
607.45612	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	584.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.5
59.69574	11.7
63.23487	10.3
67.05492	25.1
69.07043	16.8
70.84556	10.7
70.84886	31.5
79.05488	36.2
81.07055	45.0
89.06035	23.1
90.87182	12.2
91.05439	57.7
93.07033	71.3
95.04990	18.8
95.08572	34.8
105.07017	92.4
107.08590	39.4
107.29671	11.5
109.06503	21.3
109.10172	23.0
117.07023	32.3
119.08561	87.3
121.10114	34.7
123.08073	36.7
131.08540	61.0
133.10121	52.5
135.07997	16.9
141.07016	11.8
142.07751	17.4
143.08542	43.6
145.10095	100.0
147.07986	22.9
149.09647	11.9
156.09283	17.7
157.10115	50.8
159.11687	52.6
165.09140	39.6
169.10124	32.0
171.11581	24.1
173.13297	25.9
175.11194	14.0
175.14822	17.3
179.08510	13.9
181.12256	15.0
183.11646	14.8
185.13219	13.6
190.13460	11.9
193.12167	14.9
195.11682	18.8
197.13240	26.9
198.95998	13.6
199.11198	12.7
203.14352	20.7
207.11461	11.6
208.14417	11.2
209.13254	13.7
221.15364	75.0
222.15710	23.2
236.97707	14.2
249.16422	12.8
252.79089	11.4
287.20044	17.8
300.20612	15.5
352.23956	66.2
365.24707	22.2
492.35278	67.8
504.35828	93.2
566.55072	11.8
584.42010	88.8
593.45160	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	584.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.04992	1.2
69.03419	16.5
69.07062	0.9
70.06571	1.2
70.71341	2.1
70.71703	1.7
71.24786	1.0
79.05464	1.5
81.07024	2.4
83.04930	0.9
84.08109	1.0
85.02897	13.9
86.09687	1.8
87.04460	9.8
91.03921	1.3
91.05511	2.2
93.07024	1.9
95.04975	2.1
97.02872	12.8
97.06512	2.2
103.05468	2.6
105.07013	2.2
107.04967	1.5
109.06481	4.5
115.03903	14.1
119.04912	1.3
121.06505	1.1
123.04411	45.3
127.03922	2.4
131.04906	1.3
133.04945	13.3
133.06511	2.1
135.04402	1.1
135.08012	2.1
136.06154	2.5
137.05959	100.0
138.06305	1.7
145.04955	1.2
145.06432	1.6
147.04382	22.9
148.04987	1.3
149.05966	3.1
150.07620	3.6
151.03845	1.9
151.07430	1.7
161.05974	3.4
163.07520	15.8
165.05449	19.9
167.07047	2.5
173.05977	4.2
177.05424	1.3
179.06964	4.5
189.05432	4.4
199.07593	1.2
201.05457	5.0
209.37143	1.0
215.06975	2.3
219.06543	5.4
237.07487	1.8
273.11179	19.0
285.11133	4.2
297.11166	18.3
301.02805	1.0
309.11115	2.3
315.04913	2.4
315.12244	13.4
316.05362	2.9
317.05478	3.0
318.05734	2.3
332.07498	1.1
339.12225	4.3
345.09601	2.8
346.10016	4.2
347.10089	4.3
348.10461	5.0
351.12207	4.5
365.06186	2.3
369.13251	12.6
381.13440	2.1
387.14114	1.9
393.05908	1.3
399.14395	3.5
446.10092	1.4
476.13312	1.0
490.02011	1.2
494.15015	3.0
566.13330	2.1
584.14545	1.6
584.24152	2.1
589.82672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72171	2.6
53.03940	5.4
55.05503	22.6
57.03446	2.6
57.07077	14.0
65.03909	3.3
67.05487	36.6
67.38909	2.7
69.03420	9.0
69.07063	35.7
71.04984	4.7
71.62073	3.9
76.69348	2.3
79.05480	36.4
81.07041	43.0
83.04971	7.6
83.08595	14.1
85.06548	7.7
89.06004	3.3
91.05467	62.4
93.07032	68.5
95.04955	19.0
95.08591	47.4
97.06522	11.2
97.10189	4.1
105.07012	83.8
107.04925	4.3
107.08579	59.7
109.06531	8.2
109.10133	27.0
115.05461	5.5
117.06995	26.7
119.08560	100.0
121.06466	7.0
121.10124	77.6
123.08035	16.3
123.11682	14.3
125.05973	3.8
125.09647	6.0
128.06239	15.5
128.07083	2.6
129.07005	24.7
130.07774	9.8
131.08554	50.6
133.10109	50.1
135.08035	8.8
135.11681	26.3
137.09634	11.1
141.06989	9.8
142.07755	29.3
143.08556	43.0
144.09308	7.5
145.06483	3.7
145.10106	70.1
147.07988	13.4
147.11646	21.5
149.09636	10.3
149.13263	4.6
151.07529	9.2
151.11208	4.7
153.06946	4.4
154.07730	5.4
155.08546	22.6
155.10590	3.1
156.09323	20.5
157.10104	65.2
158.10910	11.3
159.08022	9.2
159.11684	35.0
161.09642	7.0
161.13268	10.0
163.11182	4.6
165.06998	8.4
165.09084	13.4
167.08620	16.7
167.10654	48.7
168.09377	7.0
169.10123	33.6
170.10876	10.7
171.11667	37.0
172.12376	3.7
173.09644	7.8
173.13231	30.0
175.11121	7.1
175.14780	18.1
179.08572	15.9
180.09312	6.6
181.10106	19.9
182.10893	11.7
183.11668	31.7
184.12425	6.0
185.13243	20.2
187.14828	12.0
189.12750	6.6
191.14291	9.6
192.09294	5.8
193.10127	15.7
194.10919	10.6
195.11664	23.8
196.12416	5.2
197.13188	23.0
198.13892	3.9
199.11247	6.1
199.14766	25.4
201.12747	3.0
201.16463	7.5
203.14319	7.9
205.61652	2.8
206.10944	11.7
207.11717	23.6
207.13623	5.3
208.12439	10.6
209.13246	30.6
210.13872	3.8
211.11108	2.8
211.14809	11.8
213.12746	4.6
213.16354	5.2
215.14299	4.7
217.15793	17.3
218.10928	5.6
219.11717	8.1
220.12407	6.1
221.13258	18.5
221.15411	28.1
222.01170	3.4
222.14088	3.4
223.14713	14.8
225.12886	4.4
225.16359	9.0
227.14307	4.2
231.11720	8.1
232.12444	5.9
233.13260	9.4
233.15454	14.6
234.13853	4.3
235.14793	13.2
236.15543	4.5
237.16353	6.4
239.14333	4.5
239.17883	5.6
244.12584	4.2
245.13239	7.6
246.14050	5.7
247.14841	10.8
248.15567	4.2
249.16393	10.4
251.14195	3.8
251.18076	4.7
253.15887	3.7
253.19708	3.7
257.13345	3.5
257.18948	6.9
259.14893	8.0
260.15634	5.6
261.16425	11.9
263.18039	6.9
265.19553	9.3
271.20505	3.8
273.16275	4.0
275.17923	11.9
283.20523	15.3
287.20200	3.5
289.19495	5.1
291.21048	2.9
295.20563	3.8
299.20184	5.2
300.21106	3.3
307.20502	4.2
331.24210	5.2
333.22217	3.7
343.23996	4.1
349.25342	5.5
361.25336	3.3
365.24960	3.2
375.27011	4.7
403.30042	3.4
491.34738	5.9
547.39392	5.0
565.40387	20.2
583.41315	90.4
583.50415	5.5
584.41809	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05503	6.7
57.07065	8.0
58.80219	1.5
59.04988	2.1
65.03953	1.5
65.55856	1.5
67.05495	17.5
69.03411	6.0
69.07062	7.9
70.79639	1.5
71.65518	1.6
71.66009	2.4
79.05479	13.9
81.07047	16.9
83.04965	3.5
83.08604	2.1
85.06550	2.2
91.05479	20.9
93.07033	31.1
95.04964	6.4
95.08592	25.6
103.05428	1.6
105.07018	38.1
107.04975	3.1
107.08569	18.1
109.06516	4.6
109.10135	10.7
112.64003	1.6
115.05460	3.2
117.06999	8.2
119.08569	29.9
121.06510	3.2
121.10130	21.2
123.08056	16.3
123.11685	2.6
125.05982	1.9
128.06161	3.6
129.07008	6.2
130.07765	3.1
131.08542	13.4
133.06487	1.7
133.10118	18.5
134.10976	1.7
135.08009	7.6
135.11702	4.7
137.09558	8.3
141.06973	2.3
142.07751	10.5
143.08557	16.8
144.09305	1.8
145.10115	23.8
147.08020	15.6
147.11700	6.1
149.09627	2.7
151.07516	20.8
151.08600	2.3
151.11162	1.7
154.07744	2.2
155.08551	6.0
156.09329	9.9
157.10112	27.3
158.10834	3.4
159.08138	2.9
159.11676	12.5
161.09590	5.5
161.13268	6.9
163.11147	5.1
165.07021	1.7
165.09114	35.0
167.08546	5.3
167.10591	2.0
168.09366	2.9
169.10139	10.6
170.10907	4.6
171.11691	14.7
173.09631	2.2
173.13274	9.9
175.11124	2.1
175.14833	3.4
177.09126	2.2
179.08521	3.5
180.09311	2.7
181.10121	7.2
181.12161	1.8
182.10954	5.2
183.11649	12.8
184.12553	2.4
185.13223	10.6
187.14784	2.9
189.12686	4.0
191.14381	2.7
192.09334	2.4
193.10214	5.7
194.10928	5.2
195.11694	10.8
196.12462	4.9
197.13214	10.8
199.14809	4.6
201.16374	1.7
203.14311	14.3
205.10139	1.9
206.10989	3.4
207.11690	8.1
207.13829	8.6
208.12491	4.3
209.13249	11.4
209.15135	2.8
211.14838	6.6
213.12579	2.9
213.16348	3.1
215.14362	1.9
217.10281	1.6
220.12418	2.2
220.47025	1.6
221.13240	6.5
221.15317	62.8
222.13863	1.9
222.15778	2.3
223.14824	6.8
225.16444	4.8
231.11758	1.8
231.17421	3.5
233.13240	4.7
233.15332	2.6
235.14905	6.0
237.16502	2.5
239.17953	1.6
245.13402	2.7
247.14812	4.2
249.16408	4.2
251.17891	1.8
253.19601	1.7
259.14767	2.0
263.18109	1.8
265.19452	2.4
269.18918	2.5
271.20468	1.9
275.17896	3.1
277.19574	5.1
279.20782	2.2
281.18964	2.1
283.20569	3.8
287.20255	1.9
295.20557	2.8
297.22128	8.1
299.20169	2.9
301.19479	2.5
307.20648	1.7
349.25153	3.0
357.25681	2.7
375.26862	7.1
403.29709	12.0
503.35300	6.4
509.34161	2.6
547.39508	3.8
565.40289	30.5
566.41022	2.9
583.41437	100.0
584.41626	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.05507	17.7
57.07062	13.1
59.04987	5.1
61.97973	2.2
65.03932	4.4
67.05501	32.5
69.03429	11.5
69.06683	3.0
69.07058	23.6
69.38038	19.0
69.66714	1.9
71.04977	2.0
79.05485	32.1
81.07044	42.1
81.07486	4.1
83.04948	9.9
83.08596	13.6
85.06548	9.3
91.05466	54.7
93.07033	72.0
94.07352	2.1
95.04964	17.4
95.08595	45.0
97.06514	8.4
97.10165	2.4
103.05427	4.8
105.07015	98.1
107.08578	55.4
109.06514	11.3
109.10143	25.0
111.08056	3.7
111.11736	2.0
113.09660	2.5
115.05477	6.0
116.06257	4.2
117.07008	20.0
119.08566	96.5
121.06489	5.7
121.10130	64.9
121.10981	3.8
123.08051	17.0
123.11678	9.9
125.05983	4.4
125.09599	7.3
128.06198	14.8
129.06996	20.8
130.07820	9.4
131.08545	41.0
133.06467	3.6
133.10120	50.2
134.10471	2.0
135.08043	12.0
135.11678	20.8
137.05846	2.4
137.09590	13.6
139.11183	5.4
141.06972	10.9
142.07758	27.0
143.08551	44.4
144.09334	11.2
145.10101	60.3
147.08060	13.7
147.11682	18.1
149.09618	12.5
149.13235	6.4
151.07550	13.3
153.06956	6.4
154.07729	5.9
155.08521	17.9
155.10600	2.6
156.09325	20.1
157.10117	61.4
158.10899	10.4
159.08043	6.7
159.11681	34.5
161.09650	7.4
161.12091	2.1
161.13292	8.5
163.11171	9.5
165.06989	9.5
165.09103	23.6
166.07841	3.3
167.08551	11.9
167.10661	34.9
168.09296	13.0
169.10103	36.7
170.10902	9.1
171.11667	44.1
172.12331	4.0
173.09680	4.8
173.13240	34.4
175.11185	7.7
175.14798	14.7
177.09085	2.3
178.07802	3.7
179.08530	15.7
180.09319	8.8
181.10138	20.3
181.12189	7.2
182.10921	13.5
183.11652	28.5
183.13132	2.6
184.12473	7.6
185.09668	3.2
185.13223	20.9
187.11154	3.2
187.14841	8.2
189.12740	7.4
191.08499	3.8
191.14320	7.9
192.09392	5.7
193.10156	14.9
194.10884	14.2
195.11641	28.9
195.13301	2.4
196.12457	9.1
197.13243	27.6
198.14027	2.6
199.11258	2.5
199.14795	17.0
200.15306	2.1
201.12769	3.4
201.16379	5.4
203.08714	2.8
203.14261	11.0
204.09302	2.1
205.10165	7.1
206.10925	8.7
207.11702	23.9
207.13802	7.4
208.12428	7.3
209.13252	30.5
209.15221	3.2
210.13962	3.8
210.22733	1.9
211.14751	13.0
213.12794	2.9
213.16371	4.6
215.14331	5.4
217.10103	2.4
217.15804	11.0
218.10835	4.4
219.11813	10.8
220.12416	9.6
221.13254	18.2
221.15385	31.8
222.14015	7.7
223.14809	18.4
225.12738	3.1
225.16437	10.3
227.14265	4.0
229.15930	2.5
231.11720	6.6
232.12479	7.0
233.13226	11.3
233.15407	10.1
234.14059	5.6
235.14818	13.6
236.15482	3.3
237.12759	2.4
237.16342	13.3
239.17998	3.2
243.11690	3.3
244.12511	2.9
245.13222	13.0
246.13849	9.6
247.14809	11.0
247.17014	3.0
248.15549	3.1
249.16394	11.1
250.17082	2.5
251.18016	8.7
253.15788	3.3
253.19391	2.4
255.17422	2.2
257.13327	4.7
257.19046	7.4
258.13959	3.0
259.14880	8.3
260.15564	6.7
261.16409	12.6
262.17090	2.6
263.17990	9.0
265.16705	1.9
265.19446	13.4
269.18903	4.9
270.14063	2.2
271.14639	4.4
271.20532	3.6
273.16382	7.6
275.17871	14.8
276.18530	2.8
277.19669	6.0
281.18982	4.8
283.20529	17.0
284.15259	2.9
285.16223	4.4
286.19290	3.3
287.20267	3.5
289.19495	6.3
291.21112	4.2
293.18967	2.2
295.20639	4.3
297.22214	3.2
299.20248	3.1
301.19241	3.2
303.20972	4.1
307.20596	2.4
315.20975	2.9
317.22559	3.3
329.22534	2.6
331.24130	5.5
343.24139	2.6
345.25793	3.2
347.23767	3.3
349.25293	8.6
357.25812	4.7
361.25336	2.3
375.26910	5.5
403.29730	4.4
491.35184	4.8
509.34088	2.3
547.39136	4.0
565.40472	23.3
583.41376	100.0
584.41724	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.2
53.03934	4.3
55.05498	20.1
55.82336	1.4
57.07068	14.8
59.04996	3.9
65.03918	3.9
66.25093	1.5
67.05495	33.6
69.03404	9.9
69.07058	23.0
69.38015	18.1
77.03938	1.9
79.05477	31.3
79.11027	1.7
81.03404	1.8
81.07043	41.3
83.04955	8.6
83.08595	9.9
85.06525	11.0
91.05461	54.5
93.07030	67.1
95.04958	15.8
95.08589	42.8
97.06530	6.6
97.10213	2.2
97.71400	1.7
103.05461	6.7
105.07014	86.1
107.08574	58.4
109.06511	9.3
109.10144	23.9
111.08094	4.4
115.05449	7.4
116.06203	3.1
117.07005	21.7
119.04951	1.9
119.08561	96.7
121.06488	5.0
121.10119	55.6
121.10970	2.9
123.08042	20.7
123.11703	6.2
125.05981	4.9
125.09615	3.5
128.06180	16.8
129.06981	24.1
130.07756	7.3
131.08537	43.7
133.06456	3.5
133.10107	47.4
135.08029	12.2
135.11670	15.9
137.09612	15.0
139.07555	2.3
139.11234	2.0
141.06982	9.8
142.07756	30.2
143.08539	47.1
144.09343	9.0
145.06490	2.9
145.10101	60.3
146.10847	1.8
147.08015	18.5
147.11647	20.4
147.12708	1.9
149.09561	8.1
149.13226	4.6
151.07512	17.2
151.11205	1.9
153.06979	6.9
154.07759	4.6
155.08516	19.2
156.09315	25.1
157.10104	66.6
158.10921	12.3
159.08063	4.8
159.11681	35.6
161.09618	9.3
161.13205	11.1
163.11162	11.2
165.06992	11.1
165.09097	30.7
166.07787	6.1
167.08553	13.5
167.10655	13.7
168.09300	9.1
169.10106	36.2
170.10902	10.9
171.11665	35.7
173.09648	5.1
173.13229	28.2
175.11150	4.9
175.14784	9.3
177.16481	1.8
178.07811	3.5
179.08524	19.6
180.09375	8.1
181.10118	18.9
181.12207	5.7
182.10867	8.6
183.11670	41.0
184.12459	7.5
185.09621	2.5
185.13228	25.2
187.14864	8.4
189.12749	6.9
191.08537	2.1
191.14235	10.9
192.09312	9.1
193.10100	17.0
194.10895	14.3
195.11673	30.3
196.12476	8.2
197.13211	29.2
199.11101	3.4
199.14778	19.0
201.12701	3.2
201.16414	3.5
203.08537	2.4
203.14294	15.2
204.09283	2.6
205.10069	5.2
205.15833	2.4
206.10849	8.3
207.11699	21.2
207.13742	8.0
208.12405	7.6
209.13223	32.2
209.15182	3.1
210.13954	4.6
211.14726	14.6
213.12679	4.1
213.16364	7.2
215.14296	3.2
216.09348	3.5
217.10092	4.5
217.15811	11.0
218.10948	4.9
219.11670	10.1
220.12431	8.8
221.13257	19.6
221.15392	67.6
222.14014	5.5
223.11043	1.9
223.14743	19.0
224.15550	1.9
225.12666	2.8
225.16380	8.1
227.14285	3.3
229.10081	2.1
230.10896	3.3
231.11610	8.3
231.13727	2.1
231.17422	2.1
232.12492	6.4
233.13254	13.0
233.15462	4.1
234.14024	6.2
235.14792	13.6
235.16924	2.4
237.12772	1.9
237.16344	11.3
238.16943	2.3
239.17896	4.7
241.15933	2.3
243.11530	2.7
244.12454	4.6
245.13242	10.4
246.14073	5.5
247.14691	10.6
247.17007	2.5
248.15556	3.9
249.16364	11.5
250.17004	2.2
251.17979	7.2
253.19485	2.9
255.17302	2.2
257.13095	3.6
257.18982	7.5
258.14023	3.1
259.14743	10.3
259.20618	2.2
260.15604	5.5
261.16312	13.1
263.17920	7.7
265.19482	9.8
267.17267	3.0
269.19092	4.6
271.14685	3.5
271.20511	3.5
272.15662	1.9
273.16425	5.1
274.17203	2.4
275.17877	14.0
276.18628	1.8
277.19495	3.9
279.17551	2.6
279.21088	3.4
281.18991	6.5
283.20563	17.5
284.15613	1.9
285.16034	2.2
285.18872	2.1
287.17664	3.7
287.20337	3.4
288.18634	2.4
289.19449	6.9
290.20334	2.6
291.21228	2.3
293.18951	2.9
295.20609	6.7
297.22076	7.3
299.17703	2.7
301.19394	2.1
307.20419	3.1
309.22348	2.2
312.20975	1.9
313.21695	2.1
317.22641	3.2
319.20313	3.2
321.21985	3.1
326.19705	1.7
331.24274	6.2
341.22504	2.5
343.24615	1.9
349.25235	6.9
361.25156	2.7
365.24832	2.3
371.23499	1.9
373.25439	1.8
375.26675	7.9
379.25977	1.9
403.29990	6.7
491.35214	7.8
503.34860	6.1
547.39233	4.6
565.40521	24.5
583.41376	100.0
584.41248	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.9
53.03936	5.9
53.79784	1.8
55.05507	15.4
57.07067	13.6
59.04996	4.5
62.31932	1.6
63.87214	1.6
65.03925	3.6
67.05496	28.4
69.03429	9.7
69.03737	1.5
69.07060	24.1
69.15122	1.6
69.35966	5.8
69.36389	12.5
71.01326	1.8
79.05480	33.7
81.06604	3.1
81.07051	41.6
83.04980	6.6
83.08621	8.8
85.06528	9.6
91.05469	53.5
93.07038	62.3
95.04957	18.1
95.08596	42.5
97.06508	7.2
103.05464	3.9
105.07018	85.4
105.07727	4.1
107.04948	2.2
107.08578	47.4
109.06524	11.5
109.10145	23.6
111.07276	1.6
111.08088	4.1
115.05449	7.1
116.06226	2.1
117.06985	20.4
119.08567	89.0
121.06477	5.3
121.10123	48.9
123.08069	16.6
123.11703	7.8
125.05980	3.3
125.09594	1.7
128.06183	18.1
129.06982	24.1
130.07773	5.1
131.08554	36.3
132.09271	2.1
133.06554	2.2
133.10114	44.3
135.08035	12.8
135.11694	14.8
137.09605	11.5
139.11140	3.3
141.06937	15.9
142.07759	31.6
143.08553	48.7
144.09334	8.1
145.06459	3.4
145.10100	55.7
147.08034	20.8
147.11693	20.7
149.09622	6.1
149.13226	5.9
151.07542	20.6
151.11125	3.1
153.06979	4.1
154.07736	4.0
155.08524	20.6
156.09329	22.4
157.10114	60.3
158.10916	10.0
159.08054	4.9
159.11696	27.6
160.67262	2.2
161.09622	7.4
161.13263	6.8
163.11229	10.5
165.07030	9.0
165.09105	44.0
166.07808	4.1
167.08577	12.7
167.10651	12.0
168.09311	9.6
169.10112	35.4
170.10913	15.3
171.08061	2.7
171.11665	33.3
172.12151	3.0
173.09669	2.9
173.13264	28.7
175.11214	4.4
175.14795	9.1
178.07822	3.1
179.08528	22.5
180.09328	8.5
181.10135	18.9
181.12231	3.9
182.10916	7.7
183.11679	32.4
184.12442	6.6
185.09625	2.4
185.13217	24.0
187.11220	3.8
187.14864	7.7
189.12749	8.6
191.08626	3.2
191.14316	6.8
192.09352	6.0
193.10133	20.0
193.11870	3.0
194.10889	16.8
195.11670	28.0
196.12454	9.5
197.13245	24.6
198.13737	3.1
199.14778	18.2
201.16435	3.7
203.08603	2.2
203.14339	18.0
205.10153	4.5
206.10789	9.2
207.11697	24.5
207.13826	8.8
208.12456	12.2
209.13240	35.0
209.15208	4.5
210.13968	5.6
211.14760	13.8
213.12764	3.2
213.16397	6.7
215.14320	5.0
217.10237	3.8
217.15791	10.2
218.10930	3.1
219.11623	14.1
219.17543	2.3
220.12454	8.2
221.13263	18.4
221.15382	69.5
222.13972	5.3
223.11311	2.2
223.14798	13.8
224.15656	2.7
225.12683	2.1
225.16466	7.3
227.14191	1.9
229.10114	2.6
230.10896	3.1
231.11755	8.0
232.12413	3.0
233.13261	10.8
233.15402	4.2
234.14053	3.2
235.14749	14.3
236.15556	3.8
237.12672	2.2
237.16391	8.8
239.17993	4.4
244.12527	4.1
245.13181	11.5
246.13995	5.7
247.14842	11.8
247.16971	2.6
248.15598	3.3
249.16444	11.9
250.17215	3.0
251.17981	5.4
253.19510	3.6
255.17520	3.4
257.13330	5.4
257.19019	7.5
258.14148	3.0
259.14822	5.8
260.15591	6.4
261.16278	10.9
262.17261	2.1
263.18015	7.4
265.19553	7.0
269.19055	4.2
271.14758	3.2
271.20520	3.9
272.15738	3.6
273.16357	5.0
274.17032	2.4
275.17944	12.4
277.19550	4.9
279.17358	2.5
279.20868	3.0
283.20584	11.9
285.16174	3.5
287.20364	4.5
289.19458	6.2
290.20190	2.4
291.20975	3.2
293.18991	3.9
295.20575	4.4
297.22174	4.7
299.17569	2.9
307.20822	2.3
315.21039	3.1
317.22235	2.5
331.24295	4.3
341.22461	2.3
345.22055	2.6
347.23779	2.4
349.25421	6.5
361.25253	2.5
375.26813	6.4
403.29944	7.1
423.28821	2.3
491.35001	4.9
503.35190	4.4
547.39691	3.6
565.40460	23.8
583.41400	100.0
584.41876	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1441
Annotation	Bulbineloneside D
Peak:m/z	Relative Intensity
53.00286	7.2
61.02927	15.1
71.01346	10.9
71.60323	2.2
71.60698	2.2
79.05463	1.7
81.07049	2.3
85.02895	14.3
88.14552	1.5
91.05441	3.3
97.02869	4.0
97.06528	2.8
99.00820	9.7
99.01345	1.6
105.06998	2.7
107.04935	2.4
107.08518	1.8
114.09206	2.1
116.14257	1.8
119.04921	2.8
123.04451	2.4
127.03886	3.9
137.05971	3.3
139.54343	1.9
145.02823	3.3
147.04350	5.4
151.07503	4.6
153.01978	2.0
153.05501	2.1
163.03857	3.4
167.06996	7.8
177.05441	6.3
178.06233	6.5
179.07076	8.8
191.06972	1.9
192.53416	1.6
193.04948	2.0
194.09363	7.5
195.06499	8.0
200.78447	1.9
203.07002	2.0
205.04915	7.0
215.03246	2.3
229.04932	3.8
253.05057	2.0
257.04407	7.1
261.03839	2.3
265.05008	2.2
267.02692	1.9
269.04306	3.9
281.04456	2.7
287.05261	2.1
293.04303	5.2
306.05460	2.1
309.04416	1.9
318.05350	2.4
319.06403	2.0
321.03979	7.4
321.07489	2.2
333.03882	1.9
347.05408	2.8
349.06940	3.6
359.05347	2.8
362.03668	2.6
365.02856	5.3
372.06406	1.9
375.04782	2.4
377.06519	6.0
403.04462	5.7
405.06006	80.6
407.07458	2.4
419.07639	6.0
420.08316	6.0
421.04968	3.9
421.09842	3.0
423.07095	2.9
429.06381	2.7
431.03830	54.1
435.10760	19.6
437.08694	3.4
445.05365	5.0
446.06271	5.2
453.11792	55.8
457.05338	7.9
459.10764	3.0
461.08572	93.3
462.08929	4.3
479.09653	29.7
485.04922	8.6
487.09869	5.0
489.11023	2.0
503.05933	5.5
505.11374	9.5
515.09680	32.5
533.10791	58.3
534.10181	2.5
537.13812	16.9
547.12292	2.5
551.11792	100.0
552.11786	2.8
565.13562	11.5
583.13684	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1441
Annotation	2''-O-Vanilloylvitexin
Peak:m/z	Relative Intensity
70.88993	1.5
73.09586	0.9
73.76852	0.8
79.05493	1.8
80.15689	0.7
81.07054	0.9
84.08146	0.8
85.02877	0.8
91.05477	1.1
93.07043	1.0
95.04961	1.5
97.02870	1.8
97.06533	1.5
101.83215	0.8
103.05463	1.2
105.07011	1.9
107.04969	2.8
107.08582	1.1
109.02865	0.8
118.41940	0.7
119.04941	2.3
119.08608	0.9
121.06515	1.2
123.04392	0.7
123.08086	1.1
127.03954	0.9
128.16170	0.7
129.06998	1.1
131.04887	1.1
133.06485	1.0
135.04395	1.3
136.05168	1.4
137.05957	4.1
139.07524	1.3
145.02824	1.1
147.04372	3.6
148.05130	0.9
149.06001	2.5
150.06682	1.0
151.03986	1.3
151.07573	6.3
153.05417	2.2
161.06001	1.2
162.06853	1.2
163.03888	3.2
163.07573	1.2
167.07077	5.2
168.07791	1.5
175.03908	0.9
176.04497	0.7
177.05443	7.4
178.06226	8.0
179.07048	11.2
179.08492	1.3
181.05029	1.1
181.08511	1.0
190.34361	0.8
191.03429	1.2
191.07011	2.3
193.04953	1.9
194.09387	9.9
195.06517	1.8
205.04916	6.8
209.06053	1.2
213.05528	1.6
221.05960	0.9
224.27408	0.7
227.03465	0.9
227.07042	2.0
237.05513	1.1
241.04921	1.0
243.06625	1.4
250.06049	0.8
253.04985	1.4
255.06598	1.2
257.04584	2.8
258.05231	1.1
263.07019	1.1
265.04956	1.7
266.05862	1.0
269.08075	1.5
279.06552	2.1
281.04605	1.5
283.06198	1.3
295.05795	1.2
297.07648	1.0
299.05386	1.0
305.95624	0.9
307.05814	1.0
312.06375	2.9
315.05777	0.9
333.07608	2.0
344.08960	1.1
345.09933	2.2
346.08478	1.3
347.09076	1.6
357.07492	1.4
358.08350	1.4
371.09296	1.2
372.06418	1.6
373.07074	2.9
374.07559	3.6
375.08810	1.5
385.07025	1.5
386.07925	1.2
388.05328	1.2
389.06375	1.1
389.10559	1.0
399.08722	3.2
401.06198	5.1
402.07303	7.2
403.07932	6.3
405.09564	1.6
406.10614	0.8
415.08261	2.1
417.09717	11.1
418.10312	1.5
423.07431	0.9
425.06631	2.2
427.08060	12.4
428.08932	1.1
431.07150	6.3
432.12372	2.7
435.11008	3.9
442.10828	1.2
443.11368	1.8
445.09131	63.1
446.09503	3.8
447.10495	1.3
449.12256	11.3
450.12958	2.1
453.10022	0.9
455.07455	13.8
455.12680	1.0
457.12918	1.3
459.10681	3.7
460.11261	3.6
461.12134	4.3
470.10385	1.1
471.06824	4.1
473.08737	1.4
475.13873	19.1
476.14410	1.5
485.12500	1.2
493.14880	100.0
494.15027	5.0
497.08496	1.2
499.06488	14.9
500.06924	1.6
501.12112	1.4
503.13306	10.8
517.07568	2.2
519.12787	22.1
520.13324	2.5
521.14349	9.0
523.12427	1.9
529.11505	1.3
537.14117	3.6
547.12347	27.9
548.12921	1.2
565.13336	78.6
566.13867	5.9
583.14441	63.6
584.14520	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	582.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	3.4
55.05495	6.5
57.07064	4.0
59.04985	2.3
65.03909	2.1
67.05484	10.8
69.03410	3.3
69.07043	8.8
69.32695	24.2
74.70268	2.4
77.83728	2.1
79.05486	15.3
81.07042	22.1
83.04967	4.1
83.08627	3.2
91.05461	27.3
92.77441	2.2
93.07035	27.8
95.04953	44.4
95.08598	12.4
105.07018	47.3
107.04926	2.5
107.08580	33.9
109.06503	10.7
109.10131	10.6
115.05455	4.8
117.07029	16.4
119.08572	46.2
120.09322	2.4
121.06458	6.7
121.10114	24.3
122.07268	3.2
123.08040	15.4
123.11698	5.4
128.06223	9.2
129.06972	15.5
130.07748	6.6
131.08546	28.8
133.06505	4.5
133.10109	27.2
134.07298	2.4
135.08020	15.3
135.11682	7.0
136.56108	2.2
138.10370	3.2
141.06966	8.2
142.07762	15.3
143.08546	46.4
144.09308	6.2
145.06444	5.2
145.10097	43.2
146.07249	3.3
147.07968	4.8
147.11609	10.8
149.09601	5.9
153.06975	3.5
154.07761	2.8
155.08499	17.7
156.09306	12.5
157.10121	38.4
158.10852	9.1
159.08066	9.9
159.11682	20.6
161.09633	11.9
165.06905	4.9
166.07831	2.4
167.08615	10.2
167.10606	6.5
168.09337	6.2
169.10115	22.6
170.10896	6.4
171.07988	2.4
171.11649	25.6
173.09683	11.4
173.13242	9.9
175.11217	4.2
175.14854	3.4
178.07726	2.9
179.08505	6.3
180.09293	7.0
181.10110	20.2
182.10928	7.0
183.11676	26.0
184.12267	2.8
185.09599	6.2
185.13185	12.0
187.11241	6.0
187.14832	4.1
188.11937	5.4
189.09081	3.2
189.12697	7.3
191.14276	7.3
192.09259	4.0
193.10095	12.6
194.10910	6.4
195.11659	20.8
196.08893	3.0
196.12483	5.2
197.09586	5.1
197.13266	20.0
198.10410	3.6
198.13937	4.3
199.11169	13.3
199.14806	8.3
201.12724	5.2
203.14183	3.7
205.10133	3.5
206.10922	5.6
207.11710	13.6
208.12448	5.4
209.09503	3.2
209.13239	23.5
210.10396	2.9
210.13950	3.6
211.11128	6.2
211.14761	9.4
212.11845	2.5
213.12738	6.8
213.16354	3.6
215.14362	4.5
217.10127	4.1
217.15839	2.9
218.10835	2.5
219.11713	5.6
220.12471	6.8
221.13307	12.3
223.11198	5.3
223.14755	11.5
224.11938	2.8
224.15633	2.6
225.12744	8.2
227.14279	13.8
231.11658	6.7
231.13826	3.5
232.12517	2.3
233.13165	9.3
235.11102	3.5
235.14777	7.7
237.12779	3.7
237.16388	6.5
239.14345	6.4
241.15755	2.9
245.13173	6.4
246.14024	3.5
247.14821	9.9
248.15506	3.8
249.12808	5.1
249.16380	4.9
251.14192	4.7
253.15770	6.5
255.17393	5.1
257.12930	2.7
257.15353	2.5
258.14056	2.4
259.11194	2.2
259.14774	5.2
260.15479	2.3
261.16302	5.7
264.14899	2.5
265.15833	5.0
271.17065	5.2
273.15787	4.3
273.18491	56.1
275.14163	2.8
275.17810	2.7
276.15182	2.3
276.18481	2.9
277.15823	3.3
277.19525	3.9
279.17352	4.2
283.14780	2.7
286.19324	6.0
287.17725	2.6
289.15823	9.8
289.19092	4.0
291.17548	5.2
291.21082	6.1
293.18707	3.1
299.20084	21.8
307.20541	2.9
309.21942	5.2
315.21338	3.6
319.20642	8.4
325.21564	3.7
331.20386	2.5
334.22708	3.4
337.21548	25.1
345.22409	2.4
351.23102	8.0
352.23917	100.0
353.24551	5.4
363.23129	6.3
365.24695	11.2
429.27695	5.8
434.27814	4.5
444.30112	34.7
445.30585	6.4
472.33426	3.0
490.34286	14.8
564.39185	3.0
582.40509	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01867	1.4
55.05498	11.9
57.07067	8.3
59.04985	3.1
65.03928	2.8
67.05492	19.9
69.03416	9.6
69.07059	13.0
70.22295	7.1
79.05479	23.0
81.03404	2.0
81.07040	27.5
83.04951	4.1
83.08618	6.5
85.06541	5.5
91.05459	34.9
93.07030	44.0
95.04963	14.1
95.08591	30.0
97.06505	5.0
97.10154	1.6
103.05451	4.8
105.07011	57.4
107.04932	1.6
107.08578	31.8
109.06496	12.0
109.10138	15.4
111.08095	2.4
114.93495	1.3
115.05431	2.8
117.06995	12.4
119.04844	1.6
119.08562	52.5
121.06512	9.5
121.10121	49.3
123.08037	21.3
123.11674	6.1
125.05990	3.8
125.09603	2.1
128.06178	7.4
129.07002	10.4
130.07771	5.1
131.08546	29.0
133.06461	4.1
133.10103	42.3
135.08028	11.4
135.11674	15.7
137.05881	1.5
137.09540	6.8
139.07498	1.8
139.11159	2.5
141.06943	7.5
142.07755	14.2
143.08543	25.3
144.09328	6.3
145.06461	3.1
145.10089	35.1
147.08017	19.6
147.11673	12.6
149.09584	18.4
149.13232	1.5
151.07503	15.3
151.11220	2.1
153.06960	5.1
153.09067	1.7
154.07745	1.9
155.08510	10.5
155.10680	1.8
156.09314	15.2
157.10106	38.6
158.07278	2.5
158.10886	6.8
159.08009	7.6
159.11664	24.9
161.09575	8.1
161.13263	5.9
163.11169	6.0
165.06969	5.1
165.09097	27.0
167.08560	8.7
167.10641	39.4
167.12032	2.8
168.09373	4.0
169.10110	22.9
170.10864	5.9
171.11688	20.3
172.12448	1.7
173.09578	7.0
173.13239	23.1
175.11179	5.4
175.14780	6.8
177.09123	2.8
179.08534	8.4
179.10844	1.8
179.14311	1.6
180.09338	5.3
181.10109	11.8
181.12216	5.8
182.10895	8.3
183.11650	14.1
184.12463	3.4
185.09612	4.3
185.13240	11.3
186.10271	2.1
187.11165	5.9
187.14793	13.0
189.12735	9.4
191.08598	1.5
191.14310	4.7
192.09328	4.2
193.10133	10.6
193.11871	2.1
194.10905	6.1
195.11674	16.2
195.13571	2.4
196.12477	6.3
197.09569	1.8
197.13226	13.3
199.11159	4.6
199.14845	10.7
201.12735	2.9
201.16377	4.3
203.14275	10.3
205.10089	3.4
206.10902	4.7
207.11688	14.6
207.13780	11.8
208.12439	3.8
209.13223	13.3
209.15215	2.7
210.14102	2.5
211.11218	4.8
211.14821	10.5
213.12776	3.7
213.16379	4.8
215.14253	8.1
217.10036	3.4
217.15816	1.5
218.10895	2.0
219.11707	4.6
220.12451	6.1
221.13260	10.8
221.15369	48.2
222.13922	3.1
223.11200	3.2
223.14737	8.6
225.12703	3.5
225.16364	4.2
227.14236	3.3
229.10112	2.7
229.16023	2.0
230.10718	1.7
231.11691	3.7
232.12370	2.7
233.13213	8.6
233.15398	13.3
235.14760	7.3
236.15611	2.0
237.12660	3.5
237.16422	7.3
239.14235	3.1
239.17958	4.5
241.15895	2.2
241.19485	2.6
243.11642	1.9
244.12300	1.7
245.13231	6.6
246.10103	1.5
246.14113	3.4
247.14742	5.8
247.16972	3.2
248.15605	2.5
249.12834	2.5
249.16318	4.2
251.14232	2.0
251.17906	3.8
253.15816	1.9
255.11601	1.9
257.13300	3.9
258.14090	3.3
259.14841	3.9
260.15656	2.7
261.16364	5.5
263.14389	2.0
263.17850	5.0
265.16049	3.6
265.19397	2.9
269.13202	2.3
269.19199	3.6
270.13727	2.0
271.14783	2.4
272.15479	2.3
273.16269	4.5
275.17911	4.1
277.15814	2.3
277.19479	3.5
279.17465	1.6
281.18991	1.7
285.16266	3.2
287.20108	4.1
289.19540	3.6
293.18933	2.6
297.16040	2.3
299.20453	2.5
301.19653	2.0
303.20917	2.2
307.20459	1.8
312.20779	14.2
315.20923	2.2
317.19067	1.6
317.22757	2.9
329.22543	1.7
333.22174	2.8
341.22418	1.7
345.21988	1.7
345.25821	2.1
347.23489	2.1
359.23798	1.8
373.25217	5.5
377.24561	1.4
401.28510	1.7
411.26929	1.6
482.90021	1.6
489.33652	1.5
525.33832	2.7
535.39313	2.1
545.37799	2.9
553.40186	3.4
563.38770	16.5
581.12164	10.1
581.39777	100.0
582.40063	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	581.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01853	5.0
57.03423	4.9
57.99085	0.8
61.02905	3.7
65.03909	1.0
67.05476	1.3
68.99765	2.1
69.03415	24.8
71.01340	1.0
71.04968	3.3
71.62094	1.7
73.02886	3.6
79.05465	3.7
81.03399	24.6
81.07021	2.0
82.03707	1.0
83.01304	1.5
85.02885	37.8
87.00803	14.9
91.03904	1.3
91.05474	4.4
93.07029	1.0
95.04932	2.0
95.08542	1.0
97.02868	13.1
97.06520	2.2
99.04430	9.3
99.24291	0.8
103.03915	1.6
103.05447	1.1
105.01842	10.1
105.06995	2.2
107.04936	2.3
109.02856	24.3
109.06498	11.4
111.04427	1.1
115.05435	1.0
117.01807	2.5
119.04917	5.7
121.06490	1.0
121.10141	1.1
123.08041	1.1
125.05929	6.6
127.03891	30.5
129.01816	2.8
133.02805	1.0
133.06467	2.0
135.04326	1.4
137.05937	10.2
138.03102	3.1
139.07513	2.3
145.04938	8.9
147.02849	1.9
147.04373	7.6
149.05984	1.7
153.05429	100.0
155.07011	6.0
159.02834	10.3
161.05966	1.6
163.07552	0.8
165.09085	1.9
167.07005	93.6
168.07381	1.6
172.32339	0.9
173.05981	0.9
177.05450	2.9
179.06989	22.4
181.08540	7.7
189.03899	1.1
191.06993	10.3
193.08566	7.7
195.06499	2.1
205.08536	2.3
207.06467	1.4
209.08040	11.3
213.03798	1.4
215.06943	0.9
217.08569	0.9
219.06323	1.0
219.10028	1.9
221.08070	1.1
231.04932	5.1
233.08070	5.2
245.07851	0.9
247.09482	1.4
265.67484	1.1
275.09091	7.2
289.10632	2.3
327.72772	0.9
333.13251	24.7
334.13803	1.2
345.09705	1.6
345.13336	5.2
357.13184	1.8
375.14072	4.3
379.10162	4.8
387.14655	1.0
397.11014	3.2
399.14270	2.0
423.13974	0.9
441.15302	3.3
545.16211	1.6
581.11835	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	581.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13166	0.6
53.03944	5.1
55.01860	3.8
55.05497	0.8
57.03433	4.3
59.04962	0.7
61.02922	4.2
65.03919	1.6
66.04685	1.0
67.05477	1.2
68.99766	4.0
69.03425	25.9
71.04981	3.5
73.02911	3.5
79.05489	3.8
81.03408	24.3
81.07037	1.6
82.04176	0.7
83.01321	0.9
85.02894	43.6
87.00819	14.9
87.04457	0.7
91.03910	1.3
91.05499	4.4
93.07035	1.1
94.04144	1.3
94.29203	0.6
95.04936	2.1
97.02874	12.9
97.06496	1.9
99.04439	9.3
103.03951	1.2
105.01858	10.2
105.03364	2.0
105.07008	1.3
107.04918	1.6
108.05724	1.3
109.02867	22.4
109.06505	12.0
109.10047	0.7
110.03654	1.2
110.40344	0.6
112.12296	0.7
115.03873	1.2
117.01810	1.3
119.04949	5.5
119.08551	1.1
121.06509	1.6
123.98430	0.8
124.05175	0.7
125.05985	5.3
127.03899	32.8
129.01820	3.4
133.06439	0.9
133.10031	0.8
135.04404	1.4
135.08041	0.9
137.02258	1.1
137.05968	10.9
138.03096	2.6
139.07520	3.0
145.04933	8.4
147.02861	2.1
147.04384	6.8
149.05978	3.1
151.07550	1.4
153.05446	99.2
153.09061	2.0
154.05769	1.1
155.07028	6.3
159.02866	11.3
161.05992	0.8
163.07524	0.8
165.05443	2.2
165.09129	0.8
166.05783	0.9
167.07022	100.0
168.07361	2.2
175.07509	1.2
177.05414	2.5
178.06247	1.0
179.07001	21.3
181.08578	9.5
189.03918	1.0
191.07007	10.1
193.08578	6.4
193.44133	0.7
195.06500	1.9
203.07002	1.1
205.08536	2.4
209.08047	11.0
213.03893	1.0
217.08540	0.8
219.10152	1.3
231.04977	5.0
233.08029	5.0
259.09674	1.1
259.28976	0.8
275.09094	8.6
283.06213	0.7
285.03949	2.0
289.10620	2.3
300.06158	1.6
315.08566	9.0
333.13251	26.3
334.13431	1.3
345.09540	1.4
345.13272	4.8
357.13321	2.0
375.14462	2.2
379.10062	5.0
397.11096	3.2
399.14313	1.1
423.14307	0.9
441.15448	3.1
452.09756	0.8
491.12424	0.8
533.06158	0.7
545.16431	1.2
551.08423	1.0
581.12439	7.8
581.28870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73847	0.4
55.05506	0.6
67.05500	1.1
68.99793	0.6
69.03435	0.6
69.07084	0.4
71.04983	0.4
71.66121	0.7
73.74868	0.3
73.83192	0.3
76.71574	0.3
78.04704	0.4
79.05481	1.1
81.03414	0.8
81.07053	1.3
83.04948	0.4
84.21258	0.3
85.02888	0.5
89.03944	0.4
91.05487	1.1
93.07042	1.3
95.04982	0.6
95.08611	0.6
97.02888	0.4
105.07040	0.8
107.04953	1.5
107.08576	0.6
109.02850	0.5
109.06503	0.5
109.10165	0.8
115.05468	0.4
117.03387	0.4
119.08549	0.7
120.70173	0.3
121.06504	0.8
121.10168	0.6
129.06963	0.4
131.04968	0.9
131.08568	0.4
132.05705	1.3
133.02849	0.8
133.10085	0.6
134.03658	0.7
135.04346	1.7
137.02263	0.5
137.05989	0.6
143.08539	0.6
145.02805	0.9
145.10118	0.5
146.03711	0.5
147.04451	1.1
148.05173	0.4
149.05977	0.8
151.03964	0.8
151.07530	0.5
153.01846	0.7
153.05496	0.6
157.10144	0.3
159.08101	0.5
159.11742	0.4
160.05257	1.2
161.02412	0.4
161.05959	0.5
162.03094	0.7
163.03889	3.4
164.04730	0.8
165.05475	2.6
167.07030	5.7
167.08344	0.5
173.02348	0.5
175.03926	0.9
177.01825	0.6
177.05496	1.9
178.06250	7.5
179.03421	0.8
179.07045	0.5
180.07944	0.4
181.01306	0.6
181.04973	0.6
185.06061	0.5
188.04732	1.4
189.05440	0.6
190.02608	0.8
191.03438	1.0
191.07095	1.5
192.04143	0.7
193.04942	2.6
194.05850	1.4
197.08105	0.4
199.04004	0.4
201.05672	0.5
205.04909	3.6
206.05687	2.0
207.06538	2.0
213.05515	0.7
215.06912	0.4
222.05173	0.6
224.04739	0.4
225.05534	0.6
227.03590	0.6
227.07076	0.7
229.05040	0.7
231.06561	0.6
238.08472	1.4
239.03584	0.6
240.04256	0.5
241.04956	1.2
243.02902	0.5
253.04926	0.9
255.03131	0.6
255.06554	0.7
256.07315	0.7
257.04486	0.8
257.08231	0.7
258.05334	0.6
267.03009	0.9
268.03836	0.7
269.04395	1.7
270.05270	0.5
272.07025	0.7
281.04449	0.5
283.02515	0.6
283.05960	1.0
284.06708	3.1
285.04047	1.4
285.07672	1.3
286.04599	0.5
287.05579	0.9
296.06885	0.5
297.04074	1.0
297.07385	0.4
298.04736	0.8
299.05566	1.0
299.08878	0.4
300.06238	0.6
300.09998	0.6
311.05499	0.7
312.06393	1.4
313.03513	2.0
313.07220	1.6
314.04254	0.6
314.07843	0.5
315.05078	1.1
315.08755	1.6
327.04987	0.5
327.08655	0.5
328.05899	1.2
328.09537	0.6
329.06564	0.9
329.10327	0.7
330.07281	0.7
341.06720	0.6
343.08102	4.3
344.08951	2.0
345.09732	1.3
385.06302	0.5
387.05328	0.4
388.05774	0.4
389.06165	0.7
399.07462	1.0
402.07422	0.5
403.08298	0.8
405.06201	0.7
417.05530	0.4
420.08371	1.8
426.29037	0.4
431.07510	0.6
433.05936	1.0
445.09833	0.5
448.08160	0.5
458.06262	0.5
459.06204	0.6
460.12128	0.4
461.05078	0.7
463.10315	1.1
464.21216	0.4
473.08878	1.1
475.11005	0.4
485.08636	0.5
487.06305	0.7
488.11057	0.7
491.09561	4.0
501.08411	1.4
502.08694	0.5
503.09534	1.2
504.07584	0.6
505.11520	1.1
506.12283	0.6
507.13071	1.7
517.11530	0.6
519.09143	22.4
520.09839	0.8
521.15485	0.5
533.10986	1.2
534.11749	2.4
544.44482	0.4
549.13904	13.3
550.14697	0.9
551.12354	2.2
563.11865	1.3
566.14441	1.3
567.54565	0.4
581.16699	100.0
582.16956	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	581.1495
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.34515	0.2
57.03210	0.2
57.03430	2.4
59.04969	0.4
61.02919	1.7
63.61240	0.2
68.99776	0.6
69.03057	0.5
69.03419	7.3
70.00546	0.3
73.02898	0.5
73.98553	0.2
75.04453	0.3
81.03400	0.3
85.02892	6.0
87.03965	0.4
87.04456	4.8
91.03957	1.2
97.02879	5.6
100.17213	0.2
105.03345	0.4
109.02829	0.4
111.00767	0.6
115.03919	4.6
121.02044	0.4
121.02843	4.0
127.03880	0.8
133.02831	0.4
133.04950	4.5
137.02344	0.8
141.06964	0.3
145.04997	0.5
145.06528	0.3
147.04407	0.7
147.60950	0.3
153.01797	3.6
154.02145	0.5
157.06439	0.6
165.01793	1.8
171.04375	0.3
175.03886	0.3
183.02832	0.7
185.05994	0.3
187.20595	0.3
213.05389	1.7
229.04749	0.4
231.06482	0.7
241.04929	0.9
243.06454	0.3
244.32658	0.2
252.60338	0.3
257.04364	0.3
258.05298	1.2
259.05942	0.5
271.06094	0.3
274.04172	0.3
275.04593	0.3
283.06067	0.7
286.04453	0.5
287.05460	100.0
288.05838	2.3
299.05466	6.6
299.08865	0.3
300.06223	1.0
301.03412	1.2
302.03732	1.1
303.03922	1.3
311.05420	1.6
313.07047	0.6
316.05640	0.4
317.06195	0.3
318.06284	0.6
325.06943	1.3
329.06528	7.4
331.08124	3.1
332.08420	3.0
333.08621	5.3
339.08698	0.9
353.06470	4.1
365.06424	0.7
371.07510	0.4
377.06528	0.3
383.07855	1.5
395.07565	1.2
413.08496	1.4
419.09390	1.5
431.09625	2.1
449.10727	6.2
573.87146	0.3
581.14355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1493
Annotation	NSC641260
Peak:m/z	Relative Intensity
57.03430	1.5
61.02909	0.8
65.03931	0.2
69.03091	0.3
69.03421	3.2
69.87931	1.3
73.02894	0.4
83.22275	0.2
85.02888	2.9
87.04456	2.5
91.03938	0.5
97.02879	2.9
109.02829	0.3
115.03916	2.1
121.02838	1.7
127.03905	0.3
129.06912	0.3
133.04936	1.5
137.02325	5.4
146.80505	0.2
149.02315	2.0
157.06465	0.5
167.03380	0.4
169.66785	0.2
185.05937	1.2
203.06982	0.2
213.05429	3.4
223.57977	0.2
231.06459	1.4
241.04901	2.1
258.05252	0.5
269.04431	1.0
287.05457	100.0
288.05853	1.5
384.08276	0.2
449.10568	0.6
506.94342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.149
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
50.73132	0.5
57.03415	2.2
61.02907	1.2
62.03987	0.4
66.79588	0.5
67.33125	0.4
68.99779	0.9
69.03419	7.1
69.42007	2.1
69.42432	1.7
70.06570	0.8
70.76791	0.5
71.67812	0.5
74.83512	0.4
85.02888	6.1
85.07644	1.1
87.04456	4.7
87.85699	0.5
91.03943	1.1
97.02873	4.7
109.02837	0.6
111.00782	0.8
115.03932	5.7
121.02837	3.5
127.03885	0.7
133.02859	0.6
133.04958	4.5
137.02335	0.9
145.04980	0.5
147.04404	1.0
153.01797	3.6
163.05948	0.6
164.58359	0.5
165.01819	1.5
183.02905	1.1
185.05936	0.5
213.05420	1.3
231.06442	0.6
258.05161	0.8
267.26828	0.6
287.05460	100.0
288.05795	1.4
299.05484	2.6
300.06311	0.6
311.05228	0.8
325.07123	0.5
329.06583	2.8
353.06512	2.7
383.07349	0.7
413.08524	1.3
431.09457	0.9
449.10852	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	581.1495
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01868	3.0
57.03425	13.4
57.32475	1.9
64.15893	1.9
69.03426	36.4
70.06597	5.3
71.01324	2.1
71.04966	3.0
71.59300	4.8
73.02891	3.8
73.58872	2.2
74.06069	6.9
75.04465	9.7
79.05448	3.7
81.03387	2.3
81.05754	2.1
82.33558	2.4
83.04942	3.4
84.52206	2.2
85.02884	18.0
87.04444	20.5
91.05462	5.9
93.07046	2.6
95.04948	2.6
95.08626	3.4
97.02882	25.4
100.11253	3.8
105.07049	3.0
111.00691	2.2
111.04432	7.7
113.06049	2.1
115.03908	15.2
119.04934	3.9
119.91950	2.0
123.04408	3.6
127.03913	5.2
128.07133	2.4
129.05489	2.7
133.04951	15.5
137.02351	14.0
137.05969	2.6
145.02802	4.0
147.04396	10.1
151.03857	3.1
153.01808	6.7
159.08022	3.4
161.05939	2.3
165.01823	2.8
167.07037	4.6
175.23494	2.0
177.05472	7.4
182.15399	6.3
201.05481	3.7
210.14874	6.4
229.04974	4.4
233.14980	6.4
245.04413	3.3
257.04504	2.7
287.05469	11.5
299.05499	3.5
301.63272	2.4
302.04099	2.6
303.01440	4.9
303.04941	100.0
313.07135	3.3
315.04922	22.9
316.05643	4.7
317.06546	20.0
327.04910	5.5
329.06363	5.7
332.08441	2.4
337.21494	2.7
339.04895	3.4
341.06436	8.0
345.06085	30.8
345.09955	2.0
353.06470	3.1
357.05566	2.8
367.08148	2.7
369.06122	17.9
395.07571	7.2
413.08572	23.2
431.09927	10.3
449.10794	39.8
563.11212	5.2
581.25006	3.1
581.38959	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	581.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.84835	0.2
57.62963	0.2
60.56071	0.2
68.99790	0.3
70.06619	0.2
76.86934	0.2
79.05479	0.9
81.03401	0.7
83.04960	0.5
85.02870	0.5
91.05447	0.3
92.49283	0.2
95.04948	0.8
97.02874	0.3
105.07052	0.4
107.04942	3.3
109.02852	0.3
117.03370	0.5
119.04961	0.3
123.04419	3.3
123.60487	0.2
124.05168	0.7
125.05968	0.3
133.02827	0.3
135.04410	1.1
137.02347	0.3
137.05965	0.5
139.07472	0.3
145.02835	0.7
145.10149	0.2
147.04378	0.5
149.02350	0.3
149.05943	0.4
151.03883	6.7
152.04645	0.5
153.01791	2.2
153.05453	0.3
161.05901	0.4
161.14952	0.2
163.03894	2.2
163.07521	0.3
167.07027	11.6
170.02127	0.5
177.05458	1.1
178.02620	0.7
178.06221	5.0
178.07742	0.3
179.03397	2.4
179.06975	1.2
189.05457	0.3
191.03381	2.1
192.04005	0.3
204.04308	0.4
213.05428	0.4
216.04272	1.3
216.05925	0.3
217.04985	0.7
227.03333	0.7
228.04152	0.6
231.02890	0.4
231.06462	1.4
241.04837	1.2
243.06552	1.0
244.03690	1.3
245.04427	0.3
255.02844	9.4
259.06018	2.8
269.04425	3.0
271.05948	0.5
272.03186	0.7
281.04581	0.5
283.02390	2.0
283.05939	0.7
284.03098	0.8
284.06537	0.5
285.03940	0.3
287.05460	10.0
289.10641	0.3
297.03870	2.6
298.04843	0.3
299.05389	1.1
300.02597	3.5
301.07034	0.5
302.07529	0.3
311.05405	0.5
312.06287	1.6
313.07004	1.1
314.07727	0.3
315.04947	50.8
316.05322	1.1
321.33139	0.3
329.06561	1.3
330.07294	21.6
331.07513	0.4
333.06537	0.3
333.09634	9.7
345.09634	100.0
346.09924	1.7
386.59930	0.2
443.07535	0.7
461.07837	0.3
515.05951	1.0
533.06635	0.4
545.11127	0.4
563.11743	4.2
564.11841	0.4
581.12860	2.1
598.08704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1492
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.2
57.03429	1.3
59.04980	0.2
65.03925	0.2
68.99783	0.4
69.03057	0.3
69.03416	5.1
81.03407	0.2
85.02893	3.3
87.04453	2.9
93.96214	0.1
97.02876	2.9
105.03355	0.2
109.02870	0.3
111.00779	0.6
115.03905	2.4
121.02844	2.8
127.03863	0.5
133.02861	0.3
133.04930	2.2
135.04388	0.2
137.02328	1.0
145.04895	0.2
147.04387	0.6
147.40384	0.1
151.03854	0.1
153.01807	2.6
157.06432	0.3
165.01802	1.3
183.02847	0.6
185.05968	0.3
189.05534	0.2
195.02982	0.2
213.05385	1.0
231.06516	0.5
241.04932	0.7
258.05112	1.0
259.05875	0.4
269.04370	0.2
283.05841	0.2
286.04498	0.3
287.05444	100.0
288.05707	1.1
299.05344	0.7
311.05466	0.2
329.06522	1.8
353.06470	0.2
383.07684	0.4
419.09729	0.8
449.10739	9.5
522.00116	0.2
542.57123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34646	0.4
56.61130	0.4
69.03426	1.0
69.76282	2.5
70.06596	0.4
79.05480	0.8
81.07050	0.7
85.02892	0.9
91.05502	0.8
94.85993	0.3
95.04954	0.6
97.02889	0.9
105.06961	0.4
105.10300	0.3
107.04957	1.0
119.04929	1.1
121.02828	0.4
121.06504	0.6
123.04435	0.6
125.06027	0.5
127.03915	1.1
133.06659	0.5
135.04387	0.9
137.02361	0.4
139.07547	0.5
147.04362	2.8
149.05975	1.7
151.07552	1.5
153.01898	0.4
153.05495	0.7
161.06009	0.5
162.03258	0.6
163.03888	1.2
165.05481	0.4
167.07030	2.0
169.06619	0.4
174.03183	0.5
177.05466	2.2
178.06241	3.0
179.07089	0.7
179.32689	0.5
181.08647	0.6
189.05576	0.4
191.03421	0.5
191.06981	2.4
194.09445	0.8
195.04663	0.5
195.06564	1.0
203.03432	0.4
205.04965	2.2
213.05391	0.6
221.05930	0.7
223.04074	0.5
223.07587	0.7
224.04710	0.6
225.05496	0.7
237.05434	1.1
241.05060	0.7
249.05540	0.7
251.03473	0.4
252.04141	0.4
253.04991	1.1
255.02989	0.6
265.04898	2.3
267.06540	0.6
268.03656	0.5
269.04401	0.7
275.03506	0.5
279.06482	0.4
281.04514	0.6
285.04126	0.5
285.07437	0.9
286.07983	0.5
287.05389	3.8
287.07916	0.4
293.04495	1.5
295.06070	0.5
297.03799	0.8
309.03952	0.5
311.05630	0.6
312.06458	0.7
315.04861	0.5
321.03662	0.8
323.01962	0.5
324.02737	0.9
326.05853	0.5
338.05240	0.4
341.08054	0.6
344.09564	0.4
345.09720	0.5
355.05893	0.6
357.03708	0.6
357.07755	0.7
359.05429	0.7
367.06036	0.7
369.07724	1.4
370.04456	0.5
371.09180	0.5
381.07660	0.7
383.04980	0.5
383.09439	0.6
385.06949	0.9
387.08798	0.5
395.05307	0.5
397.07062	1.5
398.04117	0.7
399.04559	0.4
399.08884	0.6
400.10013	0.5
404.05301	0.6
405.06097	1.6
407.03903	0.4
413.06595	1.6
415.04413	1.6
419.07709	2.2
421.05127	0.6
422.06482	1.0
425.06323	1.7
429.10272	0.4
431.07687	0.7
435.10361	0.7
437.03271	0.4
437.08551	2.2
439.08319	0.6
440.09033	0.7
441.05374	2.6
442.06644	0.4
443.07278	0.8
445.09042	3.1
451.04303	0.4
453.05743	0.8
455.07382	0.4
456.08313	1.6
457.09305	1.3
459.06918	0.5
461.12357	1.2
463.10272	1.1
468.08157	0.5
469.04590	3.1
471.07242	1.3
484.08224	0.9
485.08759	0.8
487.06201	2.0
489.11783	0.6
497.04974	0.8
499.10306	1.2
515.05927	1.8
517.11169	5.7
530.08405	1.0
533.06726	0.7
545.10834	1.8
563.11798	100.0
564.12225	3.4
581.12689	4.9
581.22540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34646	0.4
56.61130	0.4
69.03426	1.0
69.76282	2.5
70.06596	0.4
79.05480	0.8
81.07050	0.7
85.02892	0.9
91.05502	0.8
94.85993	0.3
95.04954	0.6
97.02889	0.9
105.06961	0.4
105.10300	0.3
107.04957	1.0
119.04929	1.1
121.02828	0.4
121.06504	0.6
123.04435	0.6
125.06027	0.5
127.03915	1.1
133.06659	0.5
135.04387	0.9
137.02361	0.4
139.07547	0.5
147.04362	2.8
149.05975	1.7
151.07552	1.5
153.01898	0.4
153.05495	0.7
161.06009	0.5
162.03258	0.6
163.03888	1.2
165.05481	0.4
167.07030	2.0
169.06619	0.4
174.03183	0.5
177.05466	2.2
178.06241	3.0
179.07089	0.7
179.32689	0.5
181.08647	0.6
189.05576	0.4
191.03421	0.5
191.06981	2.4
194.09445	0.8
195.04663	0.5
195.06564	1.0
203.03432	0.4
205.04965	2.2
213.05391	0.6
221.05930	0.7
223.04074	0.5
223.07587	0.7
224.04710	0.6
225.05496	0.7
237.05434	1.1
241.05060	0.7
249.05540	0.7
251.03473	0.4
252.04141	0.4
253.04991	1.1
255.02989	0.6
265.04898	2.3
267.06540	0.6
268.03656	0.5
269.04401	0.7
275.03506	0.5
279.06482	0.4
281.04514	0.6
285.04126	0.5
285.07437	0.9
286.07983	0.5
287.05389	3.8
287.07916	0.4
293.04495	1.5
295.06070	0.5
297.03799	0.8
309.03952	0.5
311.05630	0.6
312.06458	0.7
315.04861	0.5
321.03662	0.8
323.01962	0.5
324.02737	0.9
326.05853	0.5
338.05240	0.4
341.08054	0.6
344.09564	0.4
345.09720	0.5
355.05893	0.6
357.03708	0.6
357.07755	0.7
359.05429	0.7
367.06036	0.7
369.07724	1.4
370.04456	0.5
371.09180	0.5
381.07660	0.7
383.04980	0.5
383.09439	0.6
385.06949	0.9
387.08798	0.5
395.05307	0.5
397.07062	1.5
398.04117	0.7
399.04559	0.4
399.08884	0.6
400.10013	0.5
404.05301	0.6
405.06097	1.6
407.03903	0.4
413.06595	1.6
415.04413	1.6
419.07709	2.2
421.05127	0.6
422.06482	1.0
425.06323	1.7
429.10272	0.4
431.07687	0.7
435.10361	0.7
437.03271	0.4
437.08551	2.2
439.08319	0.6
440.09033	0.7
441.05374	2.6
442.06644	0.4
443.07278	0.8
445.09042	3.1
451.04303	0.4
453.05743	0.8
455.07382	0.4
456.08313	1.6
457.09305	1.3
459.06918	0.5
461.12357	1.2
463.10272	1.1
468.08157	0.5
469.04590	3.1
471.07242	1.3
484.08224	0.9
485.08759	0.8
487.06201	2.0
489.11783	0.6
497.04974	0.8
499.10306	1.2
515.05927	1.8
517.11169	5.7
530.08405	1.0
533.06726	0.7
545.10834	1.8
563.11798	100.0
564.12225	3.4
581.12689	4.9
581.22540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.2
67.05431	0.3
69.42155	0.4
69.42566	1.5
70.06547	0.2
79.05476	0.4
81.03377	0.3
81.07018	0.4
91.05442	0.4
93.07005	0.2
95.08564	0.3
97.02823	0.3
97.06470	0.8
97.89949	0.2
98.06834	0.2
98.20637	0.3
105.06990	0.2
107.01283	0.2
107.04912	0.4
107.08553	0.2
109.02850	0.2
109.10101	0.2
114.80445	0.2
123.04374	0.6
135.04366	0.2
137.05914	0.5
145.02744	0.3
145.10117	0.2
147.04312	0.4
149.05917	0.3
153.01790	2.0
153.05368	0.2
161.02315	0.3
161.05946	0.4
163.03900	1.4
167.03336	0.8
167.07068	1.2
167.08269	0.2
170.02060	1.4
177.05421	1.3
178.02557	0.6
178.06219	5.9
179.03313	0.5
195.02873	4.6
203.03352	0.4
204.04099	0.3
205.01257	0.3
205.04996	0.3
209.04440	1.0
211.03975	0.2
213.05365	0.2
216.04066	1.9
217.04987	1.0
227.03334	0.7
228.03966	0.4
231.02815	0.5
231.06471	1.5
241.04936	1.2
243.06546	1.0
244.03606	2.0
245.04646	0.3
253.04803	0.3
255.02847	9.4
256.03381	0.4
259.05972	2.6
269.04391	2.9
271.05902	0.4
272.03061	0.6
274.31494	0.2
281.04388	0.6
283.02316	1.8
283.05960	0.8
284.03137	0.9
284.06711	0.7
285.03973	0.3
285.07416	0.5
287.05457	9.3
287.08691	0.5
288.05725	0.3
289.10675	0.3
297.03873	2.1
298.04758	0.3
299.05450	1.4
300.02649	3.3
301.07065	0.7
302.07828	0.3
308.74374	0.2
311.05423	0.8
312.06226	1.7
313.07101	1.4
314.04373	0.3
314.07904	0.3
315.04929	52.4
316.05338	1.8
329.06519	1.5
330.07281	22.0
331.07574	0.5
344.08945	0.9
345.09619	100.0
346.10013	3.0
363.19104	0.2
455.09888	0.3
464.21628	0.3
482.22247	0.4
491.05862	0.3
521.10577	0.3
536.74194	0.2
549.09955	1.3
581.12567	6.0
582.13300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.2
67.05508	0.5
79.05493	0.3
81.03380	0.3
95.01340	0.3
97.06552	0.6
107.04953	0.6
108.82301	0.2
109.10133	0.3
110.83243	0.3
110.90141	0.2
121.02876	0.4
123.04468	0.5
133.02855	0.3
135.04439	0.3
137.02417	0.3
147.00647	0.2
147.04456	0.5
149.02289	0.3
149.06015	0.3
153.01811	2.5
161.02376	0.4
161.06000	0.3
163.03873	2.0
165.05507	0.6
167.03404	1.0
167.07001	1.8
169.06537	0.3
170.02081	1.7
173.06001	0.3
175.03983	0.2
177.05478	0.9
178.02647	0.9
178.06221	7.9
179.03352	2.5
181.04945	0.3
183.02866	0.3
188.04607	0.3
191.03386	0.6
191.06998	1.3
192.07716	0.3
193.04976	0.4
195.02872	6.7
205.01312	2.1
205.05055	0.6
206.05756	0.5
209.04480	0.8
211.03970	0.2
213.05426	0.4
215.03542	0.3
215.07077	0.3
216.04091	1.5
217.04964	0.8
227.03293	0.3
227.07033	0.3
228.04118	0.5
229.05055	0.5
231.02988	0.3
231.06461	1.2
237.03777	0.6
238.04736	0.7
241.04932	1.4
242.05573	0.3
243.06517	1.0
244.03603	1.1
245.08067	0.3
253.04984	0.2
255.02846	8.0
256.03522	0.3
257.08145	0.4
259.05914	2.4
267.06534	0.2
268.03696	0.4
269.04468	3.0
270.05026	0.4
271.05963	0.7
272.03088	0.7
281.04391	0.3
282.04950	0.3
283.02359	1.8
283.05991	1.1
284.03027	0.7
284.06805	1.1
285.03976	0.6
285.07538	1.6
286.04770	0.3
287.05460	9.6
289.10645	0.3
297.03928	2.3
298.04605	0.8
299.05557	1.5
300.02646	3.1
300.05933	0.4
301.07074	0.6
302.07742	0.4
311.05472	0.6
312.06207	2.9
313.03418	0.4
313.06952	3.3
314.04352	0.5
314.07684	0.4
315.04938	46.1
316.05304	0.7
317.10165	1.0
329.06476	2.6
330.07291	20.8
331.07904	0.3
343.08014	1.1
344.08871	7.6
344.13181	0.4
345.09634	100.0
346.09918	2.4
423.07278	0.3
455.09229	0.2
491.09647	0.5
504.07471	0.3
507.12256	0.3
519.09167	4.1
521.10376	0.4
533.10101	0.3
534.11316	0.4
549.14551	2.4
551.11774	0.5
581.13934	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	580.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.23304	2.0
55.01862	4.8
55.05508	19.0
57.03429	9.1
57.07064	4.2
65.03927	2.2
67.05495	46.3
68.05827	3.1
69.07056	22.4
71.08598	2.5
79.05476	26.8
81.03415	3.4
81.06557	2.4
81.07044	51.2
82.07377	2.9
83.08611	12.5
91.05473	10.2
93.07031	35.5
94.01370	2.0
95.04962	5.3
95.08595	59.9
96.31751	2.4
97.06501	2.7
97.10165	4.0
99.34149	2.5
105.07021	10.5
107.04961	4.7
107.08585	26.8
109.10130	13.7
111.08059	2.3
117.07006	7.5
117.12087	2.6
119.08572	16.3
121.06503	4.0
121.10119	15.4
123.11686	5.5
131.08546	2.8
133.10146	7.0
135.11676	37.7
137.13199	4.0
145.10103	19.9
147.11676	3.6
163.11165	39.1
175.14836	2.4
181.12221	5.9
196.42914	2.4
227.12740	55.0
227.14816	4.0
263.23657	4.0
283.15375	35.4
325.15945	2.2
337.27341	100.0
450.88647	2.4
460.07352	2.6
474.37366	3.1
503.06650	2.2
506.07886	2.7
530.39117	7.1
545.30298	3.0
545.38367	56.1
548.39679	3.9
580.11664	15.2
581.26373	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	581.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
68.99796	0.5
69.95428	0.3
70.08089	2.0
76.51141	0.4
79.05466	0.9
81.03403	1.5
81.07011	0.5
83.89676	0.3
85.02921	0.7
91.05477	1.6
95.04942	0.5
98.21363	0.5
105.06981	0.6
107.04317	0.4
107.04917	1.8
119.04961	1.2
124.05297	0.3
125.06029	0.5
127.03925	0.6
131.04887	0.4
134.03589	0.4
135.04402	1.9
137.02330	10.3
137.03360	0.7
137.05962	0.6
147.04376	3.5
149.02351	1.0
149.06006	0.8
151.07535	0.7
153.05438	0.6
159.04466	0.4
161.02284	0.6
161.06012	0.6
162.06761	0.4
163.03909	3.2
164.04680	0.6
164.85176	0.3
165.01785	0.4
167.07028	1.9
175.03848	0.6
175.07474	0.3
176.72264	0.3
177.05432	1.7
178.06239	5.5
179.07030	0.5
181.04875	0.3
183.04500	0.4
187.03741	0.4
189.01920	0.4
191.03391	1.2
191.07005	1.0
193.05136	0.4
193.08560	0.6
195.06581	0.7
203.06674	0.4
205.04965	3.5
211.13315	0.6
225.05368	0.5
227.03375	0.4
235.02403	1.0
237.05579	0.5
242.30612	0.4
243.06473	0.4
245.04427	0.4
249.05220	0.5
252.02606	0.4
253.04971	0.9
255.02852	0.5
265.04977	0.9
267.03067	0.5
267.06610	0.9
269.04434	1.0
270.05200	0.5
271.06039	0.7
281.04324	1.9
282.05188	0.7
283.06049	0.5
284.03238	0.4
284.06491	0.4
285.04089	1.2
285.07565	0.7
287.05679	0.5
290.06351	0.4
293.04504	1.3
295.05984	1.1
297.03986	2.3
297.07028	0.4
298.04654	4.2
299.05576	1.0
306.05185	0.5
309.03949	0.6
310.04721	0.6
311.05569	1.0
312.06464	0.9
313.03363	0.9
313.06870	0.7
314.04340	0.5
315.05151	0.8
321.04123	0.5
321.07547	0.5
323.05432	2.3
324.05899	0.5
325.07077	0.8
326.04123	2.3
327.05032	0.5
329.06744	1.7
331.08347	0.4
333.08899	0.4
335.05490	0.9
336.06128	0.5
337.03461	2.9
337.07043	0.7
338.04141	0.4
341.06485	2.4
343.04605	0.6
350.07953	0.5
351.04883	2.5
352.05667	0.6
353.06549	1.1
354.03598	0.7
361.06894	0.5
366.03470	0.7
366.07446	0.8
368.08813	1.5
369.05960	6.3
373.06830	0.5
379.04584	1.3
381.09671	1.1
382.03265	1.6
383.11386	1.7
385.07062	1.4
387.08676	0.6
394.06763	0.6
395.07742	0.5
397.05493	24.7
398.05704	0.7
399.05014	0.5
403.08377	0.7
411.07089	0.7
412.07779	3.4
413.06943	1.2
415.08163	0.7
418.06720	0.5
427.10193	10.5
428.10553	0.6
431.07626	1.0
441.05994	1.0
443.07211	0.8
459.06683	2.6
461.08734	0.7
471.08209	0.8
473.09006	0.4
477.08261	1.2
487.06445	2.3
489.07776	1.1
502.08920	0.6
503.10037	1.0
505.07419	2.8
506.08038	0.5
517.11151	1.6
519.12622	1.0
520.09656	0.8
521.10742	4.2
535.12238	5.2
551.08008	0.6
563.11682	8.5
566.10730	0.4
581.12805	100.0
582.13300	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	579.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.3
65.03922	0.8
69.03424	1.6
70.00928	1.8
71.04958	0.4
78.04713	1.4
79.05474	0.7
81.03387	0.8
82.04163	0.4
85.02903	1.9
85.03326	0.3
91.05473	1.1
93.03358	0.4
95.04944	0.7
95.08595	0.3
96.24951	0.3
97.02883	1.6
98.21358	0.4
103.05407	0.7
103.69750	0.3
104.11121	0.3
105.07018	0.4
106.04121	0.7
107.04928	0.9
109.02835	0.5
110.03661	0.3
111.04406	0.3
115.05418	2.2
117.07007	4.7
121.02813	0.6
123.04415	4.7
124.05219	1.4
125.06015	0.4
127.05334	0.4
131.04904	0.4
137.02350	1.2
138.03101	0.4
142.02597	0.5
143.04892	0.5
145.02928	0.3
145.06465	6.7
147.04414	0.4
147.08037	0.4
149.02333	3.8
151.03902	1.1
152.01016	0.8
152.04659	1.2
153.01820	8.5
153.05415	1.1
155.06033	2.1
161.05920	0.4
164.04665	3.6
167.07021	78.0
168.07402	0.9
170.02112	0.4
171.06450	0.9
173.05965	15.9
175.07516	0.6
177.05412	0.8
181.04932	18.2
187.03824	0.4
191.14308	0.3
197.06024	0.3
200.04727	0.7
201.05478	0.7
203.03392	0.7
205.04961	1.2
205.08569	2.9
213.05525	0.4
214.06183	0.5
221.08174	0.3
225.05411	0.8
228.04141	3.8
231.02844	3.1
233.08046	4.8
235.09587	4.0
242.05620	0.5
243.06505	0.4
245.04430	0.7
253.04918	0.9
256.03619	3.5
270.05212	2.6
271.06021	4.4
273.03879	4.9
284.03168	2.2
285.03986	0.9
285.07535	16.1
286.07748	0.4
299.05447	3.1
301.03397	27.0
302.03726	0.8
316.05746	14.5
317.06189	0.7
331.08075	100.0
332.08398	3.9
387.14337	16.1
417.15405	10.6
456.13495	0.3
550.65100	0.3
579.12457	3.0
579.20648	40.6
580.20898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81950	0.2
69.03402	0.3
71.65852	0.3
71.66211	0.3
72.08103	0.2
74.58096	0.2
85.02875	0.6
86.09683	0.3
87.04471	0.3
97.02864	0.7
110.06007	0.2
121.02869	0.4
121.06475	0.3
123.04366	0.7
127.03896	0.3
134.03624	2.1
137.02309	6.7
141.06938	0.6
145.02802	0.5
145.06476	0.3
149.02321	3.0
151.03897	0.3
152.00943	0.2
153.01797	8.7
153.05426	0.7
163.03835	0.4
164.04637	2.3
167.03363	0.6
167.07030	2.5
169.06480	0.6
170.01993	0.2
173.05888	0.3
175.03961	0.4
177.05432	1.0
181.04947	0.3
185.05873	0.4
186.06728	0.6
197.05966	1.6
200.04619	0.6
203.03377	0.6
205.04961	1.1
213.05444	2.8
214.06219	3.2
215.06850	0.4
217.04965	0.4
219.06601	0.3
225.05435	7.2
228.04152	3.6
229.08568	2.1
231.02797	2.5
239.07043	0.3
241.04884	0.3
242.05739	0.8
243.06528	0.9
245.04402	0.9
253.04921	10.3
255.02879	0.4
255.06500	0.5
256.03638	2.9
257.04294	0.3
257.08173	0.6
267.06488	0.3
269.04398	1.8
270.05197	16.9
271.05933	2.6
273.01154	0.4
273.03925	5.9
283.02237	0.3
284.03091	2.4
285.07538	100.0
286.04767	0.4
286.07697	1.7
288.06427	0.2
298.04593	0.4
299.05469	2.1
301.03397	24.1
302.03412	0.3
303.08694	0.3
316.05725	12.1
331.08075	83.7
332.08432	1.8
358.96167	0.2
387.14230	0.3
417.15219	0.3
447.12650	0.8
579.11865	1.0
579.21179	0.8
593.65649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
67.81950	0.2
69.03402	0.3
71.65852	0.3
71.66211	0.3
72.08103	0.2
74.58096	0.2
85.02875	0.6
86.09683	0.3
87.04471	0.3
97.02864	0.7
110.06007	0.2
121.02869	0.4
121.06475	0.3
123.04366	0.7
127.03896	0.3
134.03624	2.1
137.02309	6.7
141.06938	0.6
145.02802	0.5
145.06476	0.3
149.02321	3.0
151.03897	0.3
152.00943	0.2
153.01797	8.7
153.05426	0.7
163.03835	0.4
164.04637	2.3
167.03363	0.6
167.07030	2.5
169.06480	0.6
170.01993	0.2
173.05888	0.3
175.03961	0.4
177.05432	1.0
181.04947	0.3
185.05873	0.4
186.06728	0.6
197.05966	1.6
200.04619	0.6
203.03377	0.6
205.04961	1.1
213.05444	2.8
214.06219	3.2
215.06850	0.4
217.04965	0.4
219.06601	0.3
225.05435	7.2
228.04152	3.6
229.08568	2.1
231.02797	2.5
239.07043	0.3
241.04884	0.3
242.05739	0.8
243.06528	0.9
245.04402	0.9
253.04921	10.3
255.02879	0.4
255.06500	0.5
256.03638	2.9
257.04294	0.3
257.08173	0.6
267.06488	0.3
269.04398	1.8
270.05197	16.9
271.05933	2.6
273.01154	0.4
273.03925	5.9
283.02237	0.3
284.03091	2.4
285.07538	100.0
286.04767	0.4
286.07697	1.7
288.06427	0.2
298.04593	0.4
299.05469	2.1
301.03397	24.1
302.03412	0.3
303.08694	0.3
316.05725	12.1
331.08075	83.7
332.08432	1.8
358.96167	0.2
387.14230	0.3
417.15219	0.3
447.12650	0.8
579.11865	1.0
579.21179	0.8
593.65649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.17
Annotation	Isoswertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
57.03360	1.2
69.03330	3.4
70.00983	0.6
70.13660	0.6
70.77856	2.4
80.26431	0.6
81.03350	0.8
85.02797	3.1
87.04415	0.9
91.05399	0.6
97.02771	3.0
109.02785	1.1
115.03827	0.8
121.02746	0.7
123.04343	0.7
134.02664	0.7
134.03581	4.5
135.04285	0.7
137.02246	0.9
137.05827	1.1
147.04250	1.3
149.02298	4.7
150.03050	1.1
151.03842	4.0
153.01807	11.7
161.02248	0.8
163.03810	0.8
164.04549	2.6
165.06889	0.7
167.03300	1.6
173.02127	0.8
175.03822	0.9
177.05356	1.1
178.02472	1.1
179.03342	1.7
181.06474	0.9
191.03265	0.7
193.06380	0.8
200.04733	0.7
202.02612	0.9
203.03287	1.5
209.05864	1.0
210.06490	0.7
211.07382	1.3
224.50974	0.7
226.06134	0.7
227.06947	2.1
228.04114	3.3
231.02759	3.0
234.06828	0.7
237.05405	4.6
238.06110	2.6
239.06952	1.2
243.06406	0.8
245.04289	1.3
249.05421	0.9
251.06987	0.7
253.08434	0.7
255.06422	1.6
256.03513	2.2
256.07166	2.3
262.06079	0.8
265.04919	4.4
265.08459	1.1
266.05762	3.7
267.06509	6.4
269.07996	2.9
270.08774	1.7
271.05878	2.6
273.03882	6.7
277.04959	1.1
277.08014	0.7
279.06406	1.9
282.05212	3.5
283.05966	7.8
284.03104	2.6
284.06754	3.9
285.07480	2.0
291.06500	1.4
294.05188	1.5
295.05997	5.5
296.06726	2.0
297.07532	41.8
298.08310	10.2
299.05417	3.1
299.08752	1.4
301.03378	26.8
307.05978	1.1
309.07474	6.7
311.05505	0.9
311.09036	9.1
312.06238	11.2
316.05698	14.3
321.07483	1.7
322.08282	5.4
323.08957	1.1
325.07013	3.0
327.08575	75.0
328.08862	1.2
331.08072	96.5
332.08441	2.9
336.06104	2.2
337.06848	2.1
337.10593	10.3
339.08545	2.8
351.08572	22.2
357.09583	3.8
365.10138	6.2
369.09576	1.7
381.09601	12.8
393.09631	11.3
411.10693	22.4
417.11801	1.5
429.07031	0.6
429.11731	32.6
447.12811	100.0
448.13336	2.3
561.16534	1.1
579.17273	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61206	0.1
55.16554	0.1
60.10861	0.1
65.03934	0.1
67.05473	0.2
68.99793	0.3
69.03416	0.2
71.60312	0.2
71.60689	0.1
72.47378	0.1
81.03379	0.3
84.08129	1.7
85.02881	0.5
86.09674	0.2
91.05459	0.2
91.76916	0.1
95.04918	0.1
97.02852	0.5
97.06509	0.2
107.04824	0.1
109.02842	0.3
111.04405	0.1
116.10693	0.2
119.04919	0.4
121.02819	0.3
123.04410	0.7
125.05947	0.2
127.03895	0.3
128.48146	0.1
130.08632	0.1
135.04329	0.2
138.23732	0.1
139.03906	0.3
147.04401	0.3
149.02313	4.2
152.00972	0.1
153.01801	14.7
153.05389	1.1
154.02161	0.2
154.06027	0.1
163.03857	0.3
164.04659	3.5
165.01880	0.2
167.03360	0.2
167.07018	0.3
170.02089	0.2
177.05391	0.3
179.03372	0.5
180.27094	0.1
181.04970	0.2
185.05884	0.2
186.03046	0.3
187.03792	0.1
191.03375	0.4
195.02837	0.3
200.04619	1.2
201.05359	0.2
203.03354	0.7
205.04979	0.8
211.03801	0.2
213.05450	0.2
215.07060	0.2
217.05028	0.4
227.03455	0.3
228.04134	7.4
229.04759	0.4
231.02873	2.2
239.03406	0.9
240.04124	0.5
241.04877	0.3
242.05733	0.2
243.06549	1.1
245.04393	0.8
253.04863	0.2
255.02791	0.4
256.03616	6.4
257.04211	0.3
267.02731	0.1
269.04272	0.2
270.05115	0.2
271.05966	6.4
272.06299	0.2
273.03885	4.4
275.09070	0.4
283.02353	0.4
284.00101	0.3
284.03101	3.9
285.03848	1.1
285.07425	0.6
288.06244	0.4
298.04639	0.2
299.05460	7.9
300.05786	0.5
301.03381	20.7
302.03745	0.4
303.08618	0.9
315.04913	0.3
316.05719	16.6
317.05917	0.5
329.06668	0.2
330.06985	0.5
331.08051	100.0
332.04620	0.2
332.08435	3.3
345.09756	0.3
399.32071	0.3
417.33038	0.4
464.25101	0.2
465.25119	0.2
493.13773	0.6
493.19839	0.1
561.09827	0.2
579.12805	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	579.1337
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
52.62603	0.1
68.99788	0.2
69.03399	0.2
69.89127	0.6
70.02492	0.1
79.05474	0.1
81.07096	0.2
84.08134	1.6
85.02902	0.3
91.05419	0.3
97.02860	0.2
109.02866	0.3
116.10705	0.2
119.04951	0.3
121.02813	0.2
123.04398	0.9
127.03899	0.4
130.08566	0.2
137.05920	0.2
147.04399	0.3
149.02318	3.6
149.05930	0.2
153.01808	13.2
153.05394	1.1
154.02222	0.2
163.03824	0.3
164.04649	3.3
167.07137	0.2
177.05444	0.3
179.03363	0.6
186.03163	0.3
188.58504	0.1
191.03418	0.4
195.02870	0.2
200.04669	1.1
203.03349	0.7
205.04840	0.8
213.05341	0.2
215.07056	0.1
217.04916	0.4
217.07010	0.1
219.02751	0.1
227.03302	0.3
227.07011	0.2
228.04134	6.3
229.04753	0.3
231.02888	2.1
239.03401	0.7
240.04149	0.4
241.04991	0.4
243.06453	0.8
245.04413	0.6
255.02902	0.4
256.03619	5.8
257.04111	0.4
270.05121	0.2
271.05984	6.6
273.03894	4.0
275.09134	0.4
283.02277	0.3
284.03137	3.9
285.03918	1.3
285.07590	0.4
287.05301	0.2
288.06232	0.3
299.05460	6.8
300.05927	0.4
301.03391	19.8
302.03720	0.4
303.05328	0.2
303.08505	0.8
315.05078	0.5
316.05728	16.1
317.05978	0.3
330.07147	0.2
331.08063	100.0
332.08405	3.2
336.70209	0.1
345.09747	0.2
399.31970	0.4
417.33014	0.5
493.13354	0.6
507.00662	0.2
527.18213	0.1
579.12469	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	579.1336
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
51.52430	0.3
52.93003	0.4
55.17995	0.3
58.97284	0.3
61.36310	0.4
69.59368	1.4
69.59793	1.5
70.97400	0.3
76.32111	0.3
98.91621	0.3
133.21642	0.4
136.71317	0.4
149.02319	3.1
153.01813	12.1
153.05429	0.8
164.04672	3.4
179.03413	0.4
200.04759	0.4
203.03357	0.8
205.04913	1.3
228.04155	4.9
231.02882	3.8
243.06519	0.4
245.04364	0.8
255.02849	0.4
256.03568	3.8
259.30521	0.3
271.06006	2.6
273.03888	6.9
273.06586	0.6
284.03128	2.2
285.03973	0.7
288.06491	0.4
299.05426	2.4
299.08432	0.3
301.03391	30.2
302.03726	0.9
316.05737	14.6
331.08078	100.0
332.08383	2.4
355.06461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	1.0
69.03412	3.1
71.58575	0.8
74.09497	0.7
78.73000	0.7
81.03407	2.4
84.08114	1.1
85.02886	4.0
85.71788	0.9
97.02885	2.6
107.04934	3.2
109.02876	1.6
111.04436	0.8
119.04959	1.1
123.04369	1.0
127.03924	2.4
135.04344	1.1
145.04962	0.8
147.04376	1.3
149.02348	2.5
151.07518	1.0
153.01819	13.5
153.05444	1.2
159.02972	0.8
163.03885	15.1
164.04684	2.5
167.07051	1.5
171.46046	0.8
176.15132	0.8
177.05495	1.2
178.06241	18.7
179.03487	1.1
179.06964	1.3
179.72821	0.8
181.08620	3.3
191.03348	7.1
194.09372	0.7
200.04741	1.2
201.39612	0.7
203.03299	1.8
205.04939	1.8
207.02924	3.2
216.04189	1.2
228.04108	8.2
231.02887	4.2
239.03427	1.3
240.04150	1.1
241.01151	0.8
255.02867	4.1
256.03662	8.0
259.06058	1.2
269.04391	1.0
271.06055	5.7
273.03937	3.0
283.02383	2.4
283.05637	1.0
284.03156	4.8
285.04074	1.7
285.07413	1.2
287.05563	3.8
297.04010	2.4
299.05487	7.6
300.02637	1.8
301.03418	18.3
301.06757	1.2
312.06058	1.1
315.04941	18.0
316.05698	15.8
316.09100	1.3
330.07300	7.7
331.08081	100.0
332.08478	2.8
345.09625	21.8
357.09738	1.7
370.04587	0.8
373.09152	2.0
401.08322	1.2
402.00845	0.8
447.07108	1.3
487.06424	2.5
503.06119	4.5
518.08508	2.5
533.10779	47.6
534.11060	2.6
535.12347	5.7
561.10229	28.6
562.10303	2.5
579.11273	34.9
580.11932	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	579.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68096	0.8
65.22414	0.7
68.99813	0.8
70.06758	3.7
74.59564	0.7
78.14095	0.7
79.05469	1.2
81.03415	0.8
85.02894	1.0
97.02871	1.1
107.04945	7.5
116.68452	0.8
116.72197	0.9
120.38312	0.9
135.04405	3.0
147.04372	1.1
151.03885	1.1
151.07545	2.7
153.01802	5.0
153.74666	0.7
163.03882	26.5
167.07056	2.6
171.04288	0.9
177.05478	1.7
178.06221	41.5
179.07002	1.3
181.08543	6.0
189.01785	1.2
191.03366	15.3
191.06975	1.3
200.04733	0.9
203.03450	3.4
204.04129	1.0
207.02901	6.2
215.03368	1.5
216.04143	1.3
227.03255	1.1
228.04210	2.8
231.02817	4.6
241.04932	2.4
243.02782	0.9
243.06422	1.5
244.03671	1.2
245.04427	1.0
255.02896	7.5
256.03751	2.1
257.04291	1.0
259.05759	1.5
267.02859	0.9
269.04446	2.6
271.05951	2.8
273.03876	1.8
281.04337	1.2
283.02386	4.1
283.05630	1.1
284.03195	3.6
287.05524	6.8
297.03983	3.2
299.05493	2.7
300.02649	3.0
301.03464	4.2
309.03845	1.0
311.02005	1.1
311.05484	1.3
312.02606	1.8
312.06284	2.0
313.03479	1.4
313.06949	1.4
315.04904	39.9
316.05554	3.7
323.01764	0.9
327.04947	1.3
329.06439	1.4
330.07294	18.3
331.08069	22.5
339.01154	1.0
340.02051	1.6
343.04355	1.0
344.01709	1.1
345.09637	44.3
355.08298	1.1
357.09665	2.5
364.38788	0.8
365.03033	2.3
366.07544	0.8
373.09143	2.3
376.06024	0.9
401.08023	0.9
447.07114	1.9
457.05258	1.9
475.06531	3.3
485.05106	1.3
486.17947	0.8
487.06699	3.2
500.07162	1.1
501.08154	0.9
503.06079	10.3
505.11581	4.1
517.07550	1.6
518.08319	5.3
533.10730	100.0
534.10632	1.1
535.12183	13.9
561.10187	52.1
579.11261	58.2
580.11176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
67.05437	0.5
71.58453	0.4
71.59294	0.7
79.05466	0.9
81.03371	0.6
81.07037	0.4
89.03870	1.5
91.05428	0.9
95.04810	0.4
97.02875	0.6
103.05434	0.8
104.62395	0.4
105.84843	0.4
107.04931	3.1
117.03365	1.9
119.04902	1.0
121.02821	0.4
121.10136	0.4
123.04383	0.7
128.06053	0.5
131.04849	1.7
135.04395	4.9
137.02342	4.8
137.03297	0.6
137.47984	0.4
145.02794	1.6
147.04396	1.9
149.05914	0.7
153.01776	1.8
161.02292	1.1
163.03882	11.9
167.03363	0.5
167.06944	2.3
170.02037	0.7
177.05402	0.9
178.02515	0.7
178.06226	8.6
179.03349	0.6
185.05853	0.5
188.14014	0.5
189.01782	0.4
191.03368	16.2
191.06943	0.6
203.03322	0.7
203.37958	0.5
204.04193	0.5
205.04857	0.8
213.05368	1.2
216.04184	2.5
217.04903	0.9
221.05501	0.5
227.03238	1.0
228.04126	0.5
229.04924	0.5
231.02774	0.7
231.06418	2.0
235.02271	0.7
241.04906	1.7
243.06602	0.9
244.03630	2.2
246.36063	0.4
253.05008	0.7
255.02859	10.9
255.05902	0.6
255.06512	0.6
257.08066	0.6
259.06036	2.7
269.04391	4.1
271.06107	0.6
272.03192	0.7
281.04355	1.2
283.02356	2.3
283.06055	1.3
284.03299	1.1
284.06702	0.9
285.04129	0.6
285.07339	0.9
287.05475	16.7
289.10727	0.5
297.03937	3.4
297.07123	0.7
298.04639	0.7
299.05423	1.9
300.02597	4.5
301.07010	0.7
309.03458	0.7
311.05273	1.0
312.06323	2.0
313.06888	1.9
315.04950	60.7
316.05240	0.8
329.06671	1.4
330.07300	22.7
331.08090	0.5
344.09061	0.9
345.09650	100.0
346.09909	1.1
347.05502	1.4
348.06073	0.5
359.16141	0.4
360.06012	0.5
371.11285	1.2
383.06992	0.4
385.07349	0.6
392.05365	0.7
407.07489	1.0
413.06323	0.7
419.03729	0.6
420.04633	3.2
427.04526	0.4
429.05905	0.6
431.07462	1.3
435.07037	1.2
441.06195	0.5
443.08170	0.5
445.09366	0.6
450.09607	3.3
457.05157	0.6
459.06931	6.2
461.08734	0.9
473.08408	1.2
474.09708	0.6
487.06656	0.7
489.11996	5.5
503.05997	1.2
505.07516	3.2
519.09460	1.4
531.05438	4.8
533.10681	0.7
535.12335	16.9
549.06482	3.6
561.10101	3.3
578.33289	1.0
579.11249	83.2
580.11578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
59.46920	0.8
63.81287	0.7
68.99780	1.5
69.03389	1.0
69.83672	5.4
79.05475	0.8
85.02890	1.0
91.05471	1.4
97.02865	3.0
101.08482	0.8
106.00292	0.9
107.04949	2.1
119.04912	1.0
121.06426	0.8
125.07445	0.9
135.04375	0.9
137.05946	1.2
141.12364	0.8
147.04384	1.9
149.05934	1.2
151.07533	0.8
153.01805	2.7
153.05481	1.0
156.07510	0.8
162.06712	0.8
163.03911	6.0
166.72256	1.0
167.03413	0.9
167.06995	4.1
170.27687	0.8
177.05432	4.6
177.18140	0.8
178.06244	6.1
179.03323	1.2
179.07016	1.4
191.03348	4.0
191.07047	1.5
195.06551	1.1
205.04942	3.1
207.02875	2.9
213.05421	1.3
223.02319	1.9
227.03389	2.2
232.07054	1.1
235.02284	1.3
241.04935	1.3
247.24960	0.8
253.04866	1.3
255.02798	3.3
256.03497	1.0
268.03650	1.5
269.04367	3.2
270.05063	1.4
271.05920	2.6
273.03830	7.1
274.04541	1.0
281.04398	2.8
283.02350	1.3
283.05994	1.9
285.04346	1.1
285.07394	2.1
287.05484	3.3
295.02316	0.9
295.05984	0.8
297.03864	3.4
298.04599	1.1
299.05435	1.7
300.05624	1.1
301.03369	11.4
301.06702	1.3
302.03830	1.2
306.05243	1.0
309.03955	2.8
311.01950	1.0
311.05438	1.4
312.06122	2.5
313.03427	1.3
313.07022	2.3
315.04892	13.2
316.05673	5.0
321.03867	1.2
324.02615	1.2
325.03241	2.1
329.06522	1.6
330.07245	3.8
331.08081	47.7
332.08435	1.4
337.03397	2.1
340.05600	2.8
344.08801	3.2
345.09702	18.4
352.05817	1.4
353.03052	1.4
355.08093	2.0
358.04874	1.0
360.08386	1.9
371.05487	1.3
376.05597	1.4
377.06625	1.7
380.05115	5.0
381.06036	0.9
383.07385	2.9
385.06970	1.5
387.04688	1.5
401.06561	1.2
405.05969	2.4
413.06247	2.9
414.07361	1.0
415.04053	1.7
419.07324	1.3
420.08710	1.0
429.05795	4.1
431.08093	1.8
435.10669	1.0
441.05862	2.3
447.07037	2.0
453.05649	1.2
453.11377	1.1
454.07086	1.0
457.04974	4.5
459.06714	7.3
461.08298	1.3
463.09848	1.2
469.05084	1.4
472.07837	2.7
473.08282	2.1
474.09235	2.2
475.06546	5.7
485.04892	2.7
487.06473	5.5
487.10675	2.5
489.11700	6.8
490.08826	2.1
500.07224	1.2
501.07797	1.3
502.08716	2.5
503.05765	2.9
505.11444	4.2
507.12625	1.5
515.09869	4.1
517.11261	52.8
518.07446	1.9
533.10718	61.2
534.10889	3.4
535.12231	4.7
561.10193	100.0
562.10413	5.6
579.11273	23.7
580.11652	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	579.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35432	0.3
60.10714	0.4
69.62418	0.5
69.62831	1.6
102.92132	0.3
103.28497	0.3
123.04424	0.7
133.02882	0.3
135.04349	0.5
137.02342	0.4
145.02834	0.3
151.03831	0.3
151.07426	0.4
153.01788	1.4
163.03857	1.4
163.46730	0.3
165.01884	0.3
167.07054	0.7
177.05478	0.3
178.02667	0.5
178.06189	3.8
179.03293	0.7
190.94283	0.3
191.03354	0.6
191.06985	0.3
195.06435	0.8
199.03851	0.3
204.04178	0.5
205.04909	0.4
207.02858	3.4
216.04172	1.1
217.04868	0.5
227.03398	0.4
228.04182	0.4
231.02768	0.4
231.06505	0.7
235.02348	1.2
241.04984	0.7
244.03563	0.8
255.02850	6.3
256.03421	0.3
259.06049	1.7
269.04404	1.8
272.03101	0.4
281.04428	0.5
283.02371	1.9
283.05573	0.5
284.03265	0.4
285.07324	0.4
285.52374	0.3
287.05453	6.9
297.03812	1.4
297.07013	0.3
297.98459	0.3
299.05469	0.8
300.02618	2.3
312.06274	1.1
313.03683	0.4
313.07129	0.6
315.04929	36.0
329.06595	0.8
330.07281	14.5
344.08719	0.4
345.09631	100.0
346.09683	0.7
397.07233	0.4
413.06653	0.5
418.55615	0.3
431.67081	0.3
440.09076	0.4
450.09991	0.4
459.06750	0.4
471.10559	0.5
473.11969	0.5
491.13382	1.7
499.09918	0.5
517.11346	2.8
533.10687	4.0
535.12317	3.9
561.10248	2.1
579.11255	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	0.2
61.31046	0.2
65.03904	0.3
68.99783	0.2
69.03416	0.2
69.25798	0.7
69.26216	1.7
79.05475	0.3
81.03391	0.3
91.05466	0.3
93.07024	0.2
97.02873	0.5
105.07012	0.2
107.04941	0.4
121.02839	0.2
131.04951	0.3
135.04361	0.3
137.02319	0.2
137.06041	0.4
147.04395	0.6
149.02472	0.2
149.05997	0.2
152.00064	0.2
154.40854	0.2
161.02350	0.2
163.03877	0.3
167.07016	0.9
171.04401	0.2
175.03885	0.2
177.05498	0.7
178.06189	0.2
181.05022	0.2
189.01892	0.4
191.03395	0.3
191.06995	0.5
205.04895	0.6
207.02895	0.3
207.06703	0.2
215.03284	0.4
268.03735	0.6
269.04492	0.4
275.07062	0.2
281.04434	0.5
283.02603	0.3
283.05734	0.3
284.03177	0.2
285.07593	0.3
294.04993	0.2
295.06061	0.3
296.03174	0.7
297.03934	0.8
297.07648	0.2
298.04663	0.3
301.08569	0.3
308.03140	0.3
309.03909	0.7
311.05487	0.5
311.09045	0.2
312.06375	0.6
313.07166	0.3
319.06018	0.4
321.03961	0.5
322.04742	0.4
323.05551	0.8
324.02664	0.4
325.07190	0.3
329.04398	0.3
329.08069	0.4
331.08319	0.2
333.07578	0.3
335.05560	0.4
336.06079	0.3
337.03391	0.5
339.05249	0.2
343.05780	0.5
346.04782	0.3
347.05426	2.4
347.09290	0.3
348.06308	0.7
351.05002	0.4
351.08960	0.2
352.05762	0.6
355.06000	0.3
357.07541	0.6
359.05475	0.3
360.06302	0.7
361.07016	0.4
363.04861	0.8
363.08737	0.5
364.05811	0.3
365.02802	0.3
365.06952	0.3
367.04944	0.3
368.06717	0.5
369.07352	0.3
371.05643	0.3
372.06396	0.7
373.03024	0.3
373.07141	0.4
375.08734	0.4
377.03085	0.4
379.07990	0.3
384.06262	0.4
385.06851	1.4
387.04468	0.5
387.08862	0.4
388.05765	0.8
389.06625	0.6
390.03201	0.3
391.04465	1.3
392.05188	1.5
393.06085	0.3
395.05222	0.3
397.06921	0.4
399.04544	0.3
400.05429	0.5
401.06277	0.4
402.07629	0.4
403.03799	0.4
403.08246	0.7
404.05283	0.6
406.06723	0.6
407.07587	0.8
412.05655	0.4
413.06470	1.9
415.08359	0.5
416.05222	0.7
417.05869	0.4
419.04053	0.9
420.04694	7.8
425.06339	0.2
429.05295	1.3
430.06628	0.3
431.07565	2.2
432.08112	0.4
433.05170	0.4
434.06390	1.2
435.07025	3.3
441.05823	1.6
442.06851	0.4
443.07712	0.7
445.09958	1.2
446.09976	0.3
450.09454	6.4
451.09772	0.4
455.07370	0.3
457.04556	1.6
458.06335	0.6
459.07043	14.7
460.07465	0.7
461.08551	1.7
472.07990	0.3
473.08710	3.0
474.09518	1.7
475.06165	0.8
475.10971	0.6
477.08084	0.5
483.06802	0.4
485.05032	0.9
487.06204	1.2
489.11807	8.4
501.08258	0.6
503.05811	2.4
503.11624	0.2
505.07373	6.9
506.07700	0.3
513.04431	0.8
515.10211	0.3
517.07495	1.1
518.08209	0.2
519.09155	2.9
528.07294	0.3
531.05493	8.5
533.10681	0.7
535.12769	1.1
545.07172	0.7
549.06635	6.6
549.13702	0.2
561.10199	5.7
563.08081	0.8
579.11237	100.0
580.11652	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	579.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08418	0.3
63.36368	0.3
64.83387	0.3
69.76227	0.3
70.77778	0.3
71.10892	0.7
73.91440	0.3
74.54243	0.3
74.72475	0.3
82.38800	0.3
84.05142	0.3
90.44022	0.3
123.04426	0.7
135.04424	0.3
139.62662	0.3
153.01801	1.6
163.03871	1.2
167.07019	1.0
170.02065	0.5
177.05330	0.4
178.02531	0.7
178.06224	4.8
179.03336	0.6
207.02853	3.8
216.04163	1.1
217.04912	0.7
231.06398	0.7
235.02357	0.8
241.04965	0.9
243.06540	0.4
244.03619	1.1
255.02855	6.8
259.06030	1.4
269.04401	2.0
271.06165	0.4
272.03229	0.5
281.04373	0.6
283.02377	1.3
283.05933	0.5
284.03098	0.4
284.06860	0.8
285.04041	0.5
285.07529	0.9
287.05453	7.2
297.03839	1.7
299.05432	0.8
300.02679	2.6
301.07062	0.6
311.05402	0.9
312.06314	0.9
313.06989	1.7
315.04938	41.6
316.05322	0.6
329.06503	1.0
330.07294	20.1
331.07379	0.4
344.08859	2.5
345.09628	100.0
346.09918	3.2
459.07056	0.8
489.11984	0.3
517.11127	0.9
533.10748	1.6
549.06696	0.3
561.10034	2.2
579.11273	3.8
580.11554	0.4
589.13910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01852	2.0
55.05496	1.4
57.03424	0.9
57.07053	1.3
58.99567	1.4
61.02903	0.8
67.05468	1.6
68.99747	0.5
69.03419	44.1
69.07062	2.4
70.06550	0.4
70.87019	1.3
71.04973	1.4
71.31974	0.5
73.02885	1.6
76.02212	4.0
79.05455	2.1
81.03407	5.1
81.07047	3.7
83.04971	2.5
83.08585	0.8
84.08124	0.7
85.02399	0.8
85.02892	13.6
85.06505	1.7
86.98996	0.7
87.00825	4.9
88.03954	0.7
91.05439	1.5
93.07034	3.2
95.04933	0.5
95.08596	6.5
97.02881	5.6
97.06520	3.5
98.06020	0.7
99.04424	1.8
100.02184	0.6
105.00065	0.7
105.01843	3.3
105.06998	2.9
107.08585	10.3
109.02856	5.2
109.06506	3.2
109.10132	1.7
109.26154	0.5
110.19801	0.5
111.08072	2.6
117.01830	0.5
117.06983	0.4
119.08588	3.8
121.02880	2.3
121.06460	2.0
121.10130	11.1
122.01820	0.7
122.02709	11.0
123.08099	2.3
123.11697	6.7
125.08706	1.0
125.09610	14.1
127.03033	0.8
127.03899	8.8
129.01823	0.9
131.08537	5.0
133.10097	3.3
135.08041	9.2
135.11658	4.5
144.06534	2.4
145.04941	3.4
145.10120	3.4
147.11650	2.8
149.09613	7.7
149.10733	0.9
149.13237	3.0
151.11124	1.1
153.01793	1.1
153.09077	5.2
158.10875	3.1
159.02808	2.4
163.11143	2.0
163.14815	4.6
165.12714	2.1
167.05223	1.5
167.10681	1.0
171.02974	0.5
173.13252	18.1
177.05406	0.8
190.05325	0.8
191.14279	66.1
192.14662	1.3
209.15337	100.0
210.15623	1.6
223.11540	3.0
231.02936	0.6
231.04968	1.9
241.12549	3.8
264.08704	1.5
301.03363	2.1
316.05603	1.2
330.17310	4.3
331.08096	7.7
442.13287	0.6
550.10077	0.6
578.09766	0.6
578.22760	1.5
579.11572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.05032	0.4
57.43264	0.3
57.68742	0.3
65.03928	2.1
67.04238	3.6
67.05493	0.3
69.03426	0.5
69.77529	0.9
69.77933	1.0
70.06587	0.7
71.04971	0.5
74.13413	0.3
80.05003	0.9
81.03414	0.6
82.06569	43.6
83.15210	0.3
85.02902	0.8
88.03983	6.0
91.01294	0.3
95.04933	0.3
97.02900	1.8
97.06494	0.3
98.06046	3.0
98.20844	0.4
99.04440	2.5
107.04943	1.2
108.04470	1.0
109.02856	0.9
111.04413	1.9
116.07046	0.6
119.04900	0.8
120.08022	0.3
121.02850	92.2
121.87292	0.4
122.03227	0.6
123.04419	1.1
126.05499	24.2
127.03875	0.6
133.02737	0.4
135.04384	0.4
137.02345	1.0
137.81445	0.3
144.06534	9.8
147.04375	2.1
151.03886	0.6
153.01866	0.4
159.38033	0.3
163.03850	1.3
167.03423	0.6
174.09167	0.4
177.01790	0.5
177.05399	0.6
179.03401	0.7
187.03882	0.5
189.01849	0.4
190.58755	0.3
191.03363	1.4
191.14264	0.4
195.02835	0.6
201.05438	0.8
203.03419	1.7
205.04962	1.2
207.02834	0.4
209.02733	0.4
209.04356	1.8
215.03366	1.1
215.06937	0.4
217.04858	0.5
219.02867	0.5
221.04427	3.1
229.04970	1.0
231.02856	0.5
231.06462	0.4
233.04416	5.5
239.03352	0.4
239.05469	1.7
240.19507	0.4
241.01241	0.8
243.06503	0.8
244.06039	0.5
245.04445	0.9
247.02377	1.1
247.05936	1.0
251.05463	1.1
257.04462	0.8
259.02386	1.6
263.05414	0.5
264.08640	100.0
265.03397	0.5
265.08890	1.1
269.04495	0.4
271.02313	0.8
275.05453	4.7
277.03345	1.0
285.03955	0.4
287.05542	2.1
289.03433	0.5
289.06888	0.4
299.05417	1.7
301.03455	0.5
305.06427	0.8
313.03372	1.3
316.05585	0.4
317.06543	2.8
323.08997	0.8
325.03418	0.9
327.04776	0.5
331.04529	0.8
331.08078	1.3
335.07483	2.2
343.04291	0.8
353.08777	1.6
355.04660	0.6
362.08594	0.7
373.05460	1.3
379.07999	0.5
391.06485	0.8
395.11121	0.6
404.09839	0.3
407.11179	0.8
409.07639	0.5
422.10690	1.1
428.13046	2.4
437.12332	0.8
440.11621	1.3
455.13461	0.7
458.14255	1.4
473.14453	0.7
482.14380	4.7
512.15747	1.6
524.15314	1.2
542.16492	6.5
560.17554	10.2
578.10065	0.9
579.10645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01858	8.7
55.05504	41.2
57.03429	8.4
57.07061	4.7
65.03944	7.0
67.05499	96.3
67.64812	2.8
69.03418	4.3
69.07056	27.3
71.04989	20.5
71.65775	5.9
76.59763	3.0
79.05489	71.3
81.03412	22.8
81.07047	100.0
83.04955	9.0
83.08621	26.0
85.06544	13.2
91.05464	59.5
92.18638	2.9
93.07037	79.3
95.04951	18.6
95.08598	66.5
95.73132	3.6
97.06540	10.8
97.10141	17.7
105.07021	57.1
107.04991	6.0
107.08578	45.5
109.06506	8.2
109.10143	31.6
111.08086	6.1
117.07013	21.7
119.08566	49.5
121.10133	33.7
123.08060	11.7
123.11710	12.5
125.09624	12.4
129.06995	13.3
131.08553	33.0
133.10094	34.3
135.08002	4.4
135.11699	21.4
137.09636	5.6
137.13257	4.3
141.06996	4.9
143.08557	13.6
145.10103	32.2
147.11694	25.0
149.09595	7.5
149.13254	11.5
155.08606	6.0
157.10063	16.5
159.11684	16.9
161.13258	13.7
163.11214	6.2
163.14761	4.3
169.10095	11.3
171.11708	13.7
173.13243	15.1
175.11189	4.6
175.14856	8.5
176.81120	3.1
177.12692	4.9
183.11707	8.4
185.13280	11.0
187.14789	6.8
189.11237	11.0
191.14323	3.6
193.12317	11.6
197.13315	7.6
199.14844	7.6
211.14868	4.2
217.15831	3.4
225.16531	3.7
227.12665	19.7
229.14308	3.9
239.16266	3.6
253.19417	3.0
259.20596	4.3
261.22165	8.8
262.13477	3.0
267.15860	28.3
285.22046	7.9
287.23642	4.5
289.21600	7.4
301.25342	12.2
303.23087	4.4
315.23114	3.5
317.24939	3.7
333.24249	3.2
335.25632	24.1
343.22684	4.1
359.25620	3.4
363.25293	6.3
417.31351	7.7
435.32446	18.1
453.33771	14.0
471.34555	10.7
478.39026	4.0
509.36255	10.0
527.37305	64.5
528.37250	4.7
536.49872	4.5
545.38348	63.7
559.39618	13.6
577.09583	10.6
577.41797	17.9
578.09967	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	578.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.1
56.51033	0.1
60.04518	0.2
67.04241	1.4
68.05043	0.1
69.03413	0.4
69.63665	0.9
70.06584	1.8
71.76648	0.2
72.08115	0.1
80.05009	0.4
82.06571	5.6
84.04480	0.2
85.02896	0.5
88.03979	5.8
88.07649	0.2
97.02881	1.5
98.06042	18.3
98.20695	0.2
104.43199	0.1
107.04973	0.3
108.04462	0.4
109.02832	0.2
111.18369	0.1
111.50207	0.1
116.07079	6.2
121.02845	2.1
126.05497	2.0
131.04990	0.1
131.08545	0.2
133.06404	0.2
137.02344	0.9
144.06537	100.0
145.06871	1.0
147.04378	0.2
147.08038	0.3
149.02292	0.5
151.03871	0.3
157.06441	0.2
161.02252	0.2
163.03949	0.1
165.01843	0.1
167.03336	0.8
175.03874	0.2
175.07526	4.7
177.05450	0.2
179.03375	2.7
186.06676	0.5
189.05424	1.2
191.03574	0.2
191.14221	0.3
203.03365	0.9
207.79984	0.2
209.15372	0.5
216.10358	0.2
221.30336	0.1
231.06459	2.2
233.04388	0.8
236.05470	0.2
245.04460	0.4
262.10736	5.9
264.08655	0.5
280.11682	1.1
299.07535	2.3
327.05072	0.4
331.08154	0.2
442.13397	24.1
443.13794	0.6
447.09366	0.3
472.26999	0.2
507.12924	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	577.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01870	6.9
55.05503	47.9
57.03426	10.1
65.03931	4.6
67.05145	7.3
67.05492	96.3
69.03423	7.7
69.07053	28.6
71.04987	14.6
71.08617	7.5
71.60537	4.2
79.05476	73.4
81.03408	15.0
81.06563	7.5
81.07041	100.0
83.04976	9.9
83.08604	28.8
85.06528	10.4
87.05792	3.4
91.05456	57.0
93.07030	70.8
95.04968	21.2
95.08591	62.9
97.06508	11.9
97.10143	22.6
99.08105	5.6
105.07015	55.4
107.04937	8.9
107.08575	47.6
109.06532	5.0
109.10145	30.1
111.04440	4.0
111.08070	8.9
117.06976	20.8
119.08556	45.8
121.02768	4.3
121.06512	8.8
121.10112	31.9
123.08054	8.4
123.11719	11.8
125.09608	17.5
129.07005	15.8
131.08563	35.3
133.10114	31.8
135.08089	6.2
135.11697	22.2
141.06966	5.8
143.08530	13.7
145.10127	26.1
147.11668	27.1
149.09615	7.4
149.13281	8.4
155.08525	10.0
157.10107	17.1
159.11650	22.0
161.13271	13.5
163.11182	7.6
169.10158	7.0
171.11671	11.0
173.09528	4.6
173.13240	16.1
175.11139	6.7
176.43808	4.2
177.12700	4.2
179.14259	7.1
181.12242	3.8
183.11711	4.4
184.83502	3.7
185.13268	6.3
187.13339	3.9
187.14871	5.5
189.11188	9.0
193.12195	10.4
195.11684	5.0
197.13292	5.5
199.14761	4.5
221.13232	3.8
223.14825	4.8
227.12657	18.3
233.15436	3.6
239.16287	5.2
243.21173	4.6
259.20444	5.5
261.22202	10.1
267.15799	23.9
269.17493	4.3
277.21628	5.7
289.21606	6.8
291.19684	6.0
293.21210	14.1
301.21796	4.5
301.25220	7.1
303.23035	4.2
335.25919	20.5
357.05972	3.8
363.25165	4.2
435.32465	15.4
453.33490	10.8
457.05881	6.7
471.34335	5.9
504.10117	5.3
527.37177	54.0
545.38232	43.5
559.38245	8.7
577.09705	55.6
577.23517	17.7
577.38757	13.8
578.10175	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	577.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
53.77212	2.6
55.01862	6.5
55.05503	17.1
55.83242	3.0
57.03428	3.9
57.07064	7.2
61.02911	4.9
65.03918	3.4
67.05508	25.2
68.99805	3.3
69.03423	27.6
69.07059	38.2
69.26454	12.9
69.26881	17.8
71.08633	5.3
73.02918	4.4
79.05466	15.3
81.03417	21.1
81.07050	70.1
83.04976	3.8
83.08596	26.5
83.09400	2.7
85.02897	47.2
85.06528	6.7
87.00822	16.9
91.05443	13.9
92.63000	3.2
93.07037	20.0
95.04955	10.4
95.08592	65.3
97.02866	19.4
97.06522	12.8
97.10163	18.9
99.08067	5.1
103.05465	6.9
105.01875	17.3
105.02455	3.1
105.07021	12.9
107.04929	4.0
107.08591	13.9
109.02847	14.5
109.10137	48.6
111.08067	6.4
111.11693	7.3
117.06996	4.0
119.04923	3.5
119.08562	8.8
121.06498	3.4
121.10146	13.7
123.04423	58.1
123.11665	20.6
124.04826	3.3
125.09638	6.7
125.13248	5.4
127.03894	27.9
131.08511	4.4
133.06485	5.2
135.08038	8.0
135.11693	4.6
137.13243	13.2
145.02832	4.2
145.04947	8.2
145.09964	3.3
147.04375	6.6
147.11716	4.4
148.05130	4.9
149.05946	5.8
149.13248	17.3
151.14821	12.8
157.10083	3.5
159.08049	3.0
159.11656	3.5
161.05994	5.0
163.03804	3.1
163.07501	15.3
163.14822	8.4
165.01813	7.9
165.16418	8.2
167.07011	10.2
177.05458	7.1
179.18016	4.6
181.08542	4.0
191.07051	4.1
191.14507	3.4
193.08574	80.9
193.19440	3.6
194.08826	3.5
207.10152	14.6
219.20981	4.5
228.17461	3.9
231.04955	6.4
235.09572	23.1
246.77863	3.0
249.25807	3.6
275.27393	9.7
293.28311	28.3
311.29382	9.4
329.13776	23.7
329.30563	4.3
330.13824	3.5
335.29364	3.0
387.08997	3.5
429.06143	9.1
457.05673	7.6
475.06335	12.2
487.10098	6.8
489.07846	5.2
504.10486	13.5
505.11319	4.9
533.10925	4.1
549.10144	13.0
577.09558	100.0
577.18445	21.8
578.10229	53.1
578.18463	5.6
578.27283	6.1
581.94281	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61848	2.9
51.00435	3.2
53.03936	5.9
55.01858	7.8
55.05500	38.2
57.03425	14.1
57.07058	3.4
58.14492	2.9
59.04989	5.4
62.91176	3.5
65.03914	5.2
67.05495	100.0
69.03420	2.8
69.07056	28.9
71.04974	16.7
71.55332	3.8
71.55665	5.0
76.91242	2.9
79.05486	64.6
81.03413	26.7
81.07041	91.6
83.04961	10.2
83.08612	24.8
85.06520	12.2
91.05463	57.7
93.07034	63.2
95.04951	18.3
95.08595	70.8
97.06506	11.6
97.10146	26.6
99.08073	3.9
101.37178	3.4
105.07009	57.2
107.04949	5.7
107.08578	43.4
108.52016	3.2
109.06468	9.7
109.10127	28.8
111.08080	7.6
115.05521	3.9
117.06985	24.6
119.08575	46.2
121.06499	4.2
121.10104	34.2
123.08065	8.8
123.11680	11.2
125.09615	14.7
129.07007	10.6
131.08551	39.0
133.10107	33.1
135.08011	8.9
135.11699	18.1
137.09601	3.2
137.13225	3.9
139.11188	5.6
141.06992	6.8
142.07744	4.7
143.08524	12.0
145.10092	19.3
147.11655	22.9
149.09613	7.8
149.13242	11.0
155.08601	8.5
157.10086	21.7
159.11671	19.6
161.13187	18.3
163.11154	6.2
165.12749	4.4
169.10094	10.6
171.11679	14.3
173.13254	11.7
175.11227	4.6
175.14774	7.7
177.12654	4.3
183.11746	7.7
185.13193	9.2
187.10983	3.5
187.14799	5.4
189.11208	12.9
189.16451	4.1
193.12245	6.4
195.11681	5.3
197.13269	7.7
199.14854	7.8
213.16507	3.9
227.12741	19.0
239.16238	5.2
241.19554	3.7
243.20996	4.1
259.20493	4.2
261.22183	7.1
267.15878	24.8
269.22861	3.7
276.78302	3.6
285.18442	2.9
285.21997	6.4
287.23581	4.2
289.21329	3.3
301.20212	3.4
301.25256	12.0
315.09164	3.0
335.25998	15.2
341.24741	4.0
363.25299	5.7
417.31525	6.0
435.32486	13.7
453.33463	16.5
471.34518	9.3
509.36105	4.5
519.36993	4.0
527.37122	59.2
545.38354	51.5
559.39349	11.6
577.09351	21.1
577.37488	14.5
578.09698	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	577.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.3
57.05278	0.2
63.49408	0.2
65.03936	0.3
67.05470	0.3
68.00949	0.2
69.07030	0.3
70.06580	0.2
70.06986	0.5
70.07407	0.8
73.94971	0.2
79.05470	0.4
81.03409	0.3
81.29546	0.2
84.08115	0.4
85.02880	0.4
86.09684	0.3
91.05451	0.5
95.04926	0.3
97.02861	0.6
97.06507	0.3
105.06992	0.3
107.04955	1.3
110.06007	0.2
115.05433	0.3
117.03339	0.3
119.04906	0.3
120.08127	0.4
121.02834	0.4
121.06413	0.2
123.04408	0.4
124.74620	0.2
125.05895	0.4
127.03928	0.5
135.04366	0.7
137.02344	1.4
137.05933	0.4
139.07445	0.6
145.02762	0.3
147.04372	1.1
149.02383	0.3
149.05937	0.9
151.03870	0.2
151.07503	0.9
153.05486	0.3
161.05907	0.4
162.03131	0.4
163.03906	1.9
167.03409	0.5
167.07022	1.8
175.03891	0.4
176.04764	0.2
177.05385	1.4
178.06227	3.2
179.07034	0.7
181.08543	0.3
184.05148	0.2
187.03900	0.5
189.01834	0.3
191.03354	0.7
191.06981	0.9
193.04979	0.4
194.09367	0.4
195.06490	0.7
197.05965	0.3
200.04669	1.1
201.05409	0.4
204.04131	0.3
205.04927	1.6
205.08350	0.3
211.03680	0.5
212.04588	0.4
213.05498	0.5
215.03270	0.4
215.06888	0.4
223.03903	0.5
225.05444	1.5
227.07001	0.4
228.04123	0.8
229.04849	0.5
230.05688	0.8
237.05394	0.5
239.03380	8.4
240.03896	0.4
241.04886	0.5
243.02745	0.3
243.06499	1.8
251.03197	0.3
253.04919	3.3
255.02859	0.4
255.06349	0.6
256.03500	0.6
258.05176	0.5
265.04944	0.6
267.02786	2.0
267.06415	0.8
268.03677	0.6
268.07111	0.3
269.04404	1.4
270.05005	0.3
271.02896	0.4
271.05972	7.6
273.07568	0.4
281.04428	2.6
282.05219	0.3
283.05991	6.9
284.03094	2.8
284.05991	0.4
285.03922	0.4
285.07382	0.6
295.05862	0.5
296.06747	1.0
297.04239	0.5
297.07535	1.3
298.08316	0.4
299.05466	45.5
300.05826	0.7
301.07050	0.8
301.10455	0.4
309.03955	0.3
311.01956	0.3
312.06323	0.4
313.06982	1.1
314.04504	1.0
314.07794	22.6
315.08246	0.4
321.03873	0.4
329.06714	5.8
329.10138	100.0
330.10464	1.4
331.06158	0.3
344.08670	0.7
345.03735	0.5
346.04950	0.3
347.05496	0.3
355.05844	0.5
357.07788	0.3
358.04681	0.3
359.05637	0.4
369.04044	0.3
371.05359	0.4
373.07120	0.4
375.04755	0.4
383.05548	0.5
386.04135	0.3
399.05148	0.3
400.05557	0.3
401.06778	1.2
403.04160	0.5
411.05066	0.7
415.04181	0.3
417.05814	0.6
427.04208	0.5
429.05981	1.7
431.03757	0.3
439.04318	0.8
443.07697	0.5
444.08554	0.6
445.05469	0.9
446.05859	0.4
455.03860	1.1
457.05475	4.6
466.08551	0.8
470.06763	0.5
471.07141	0.9
472.08145	0.4
473.05035	0.9
483.03442	2.2
487.10419	4.8
499.06546	0.6
501.04254	2.7
503.09702	0.6
511.02924	1.0
513.08386	1.2
516.07104	0.9
519.09448	1.8
521.10083	0.3
529.03986	0.4
531.09076	4.2
532.08893	0.5
533.11194	0.3
541.07471	0.5
549.10260	7.4
550.10352	0.4
559.08588	5.3
560.08612	0.3
577.09583	34.9
578.09943	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	577.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05500	0.4
69.00772	0.2
69.03418	0.8
70.79980	0.6
81.03397	0.3
83.04973	1.4
85.02901	1.6
91.82513	0.2
92.08511	0.2
97.02882	26.3
98.03235	0.3
99.04446	0.8
109.02831	0.7
111.04427	0.6
115.03925	0.4
121.02813	0.4
123.04432	0.3
127.03899	100.0
128.04210	1.0
133.06367	0.2
139.03880	1.0
143.10776	0.2
147.11415	0.2
157.04906	0.4
161.05977	0.3
176.95267	0.2
199.80385	0.2
202.95370	0.2
217.04987	0.4
221.04485	0.3
235.06001	0.5
252.17702	0.2
253.06950	0.3
265.02847	0.2
270.28149	0.2
289.09146	4.0
343.61163	0.4
360.77982	0.2
423.92596	0.2
473.95917	0.2
486.93161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
67.05495	0.7
68.99783	0.7
69.03403	1.1
69.06455	0.6
69.07050	0.9
79.05488	1.3
81.03406	1.3
81.07047	0.8
83.04989	0.7
83.47327	0.6
84.04478	0.9
84.08122	1.4
85.06522	0.8
90.71064	0.7
91.05472	2.0
92.38013	0.6
93.03388	0.8
95.04918	0.7
95.08582	0.8
97.02894	1.8
97.06519	0.9
98.21487	1.8
103.05435	1.1
107.04948	1.9
119.04901	1.3
119.08501	0.8
121.06491	1.2
121.10178	0.8
123.04402	0.8
125.05991	1.0
127.03890	1.3
133.06531	0.9
135.04382	1.6
136.05197	0.9
137.02293	0.8
137.05942	3.4
147.04398	3.1
148.05167	0.9
149.05989	1.1
151.03915	1.1
151.07507	4.2
153.05504	1.7
161.05951	1.0
162.06865	0.8
163.03899	3.0
163.07524	1.2
167.07025	2.9
168.07841	1.5
177.05455	2.7
178.06216	5.3
179.07001	5.8
181.08629	1.9
191.07076	2.1
193.08572	1.5
194.09370	3.6
195.04834	1.2
195.06497	7.2
198.58829	0.7
205.04973	2.4
211.03979	0.7
227.03278	0.9
229.05008	0.7
236.11192	1.3
238.02725	0.7
239.03468	1.5
241.04884	1.1
243.02960	2.0
253.04964	2.2
255.02888	1.1
267.02884	1.7
269.04538	1.5
281.04431	1.8
283.05942	0.8
284.03156	0.7
285.03992	1.2
287.05487	0.8
294.01639	1.6
295.02322	1.9
297.03860	1.4
307.02478	1.5
309.04022	1.8
313.03302	1.8
315.05237	0.8
325.03653	0.7
335.02216	1.1
337.03485	4.0
345.04254	1.0
355.05994	1.6
357.03232	0.9
363.01270	1.4
365.02859	3.5
371.05557	2.2
373.07095	0.9
383.05573	2.5
386.03833	0.7
387.04620	0.9
392.09393	0.8
399.04840	9.3
399.08939	0.9
401.06705	1.0
404.83893	0.8
411.04712	1.4
413.06555	1.9
414.07227	2.1
427.04297	1.3
429.10025	15.5
439.04306	1.1
440.01410	0.9
441.06277	1.2
442.07031	2.1
443.08020	0.9
444.08582	1.2
445.05154	1.5
447.06458	1.0
452.05151	0.8
455.04037	2.2
457.05676	2.2
463.04526	3.7
466.03134	1.3
467.04065	1.1
470.06323	2.5
472.07983	1.2
473.09467	1.2
474.09399	1.1
475.06570	2.5
477.11774	1.0
478.06836	14.0
481.05304	1.4
483.03601	2.7
485.09302	1.4
487.10065	2.6
489.08087	1.0
491.06149	1.0
495.07315	0.9
498.06000	1.4
499.06168	0.9
500.07172	0.9
501.08524	0.9
503.09601	2.9
504.11023	1.1
505.11169	6.9
513.08124	2.7
514.09027	2.9
515.09601	2.6
519.09259	1.5
521.10950	1.0
531.09167	52.8
532.09558	2.1
533.10785	3.7
549.10278	6.2
559.08759	5.3
572.37469	0.9
577.09698	100.0
577.27893	2.9
578.10278	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	576.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	13.7
57.07064	17.5
60.87396	10.4
67.05498	29.7
69.54376	100.0
70.08761	11.0
71.08609	25.6
71.52025	10.5
72.12460	10.2
81.03411	44.3
83.08595	14.7
85.10180	11.8
95.04944	14.9
109.10129	14.7
116.99535	10.8
140.46429	12.9
193.12260	13.2
213.15065	10.9
267.15881	57.0
313.27341	61.3
491.92548	13.4
505.38852	51.4
522.45020	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	577.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78879	0.3
64.55428	0.4
69.36049	0.3
70.11958	0.8
70.12342	0.8
72.37674	0.4
75.31631	0.3
79.05453	0.6
84.08140	0.4
85.02876	0.5
91.05457	0.5
97.02897	0.9
105.07014	0.4
107.04949	1.1
121.06517	0.5
123.04448	0.5
125.05992	0.9
134.22255	0.3
135.04344	0.4
136.05202	0.4
138.06718	0.3
139.09723	0.4
141.07025	0.6
147.04401	1.5
148.05141	0.4
148.93700	0.4
149.05972	1.7
151.03888	0.5
151.07527	2.6
153.05466	2.2
156.73091	0.4
163.03873	1.1
164.04712	0.7
165.01793	0.3
165.05400	0.4
166.06245	0.4
167.04918	0.3
167.07082	1.1
168.07808	1.4
169.06416	0.4
177.05406	1.9
178.06277	2.2
179.03404	0.5
179.06967	1.6
181.06653	0.4
181.08611	1.3
183.04408	0.7
191.03436	0.4
191.07004	1.4
193.04929	0.4
195.04419	1.7
195.06488	1.3
197.05969	0.8
205.04924	5.8
209.07927	0.4
211.04056	0.5
213.05420	0.6
215.03357	0.5
219.06500	0.8
225.05579	0.7
227.03334	0.7
229.04913	0.4
235.03848	0.7
239.03413	1.8
241.04944	1.8
251.03436	0.9
253.04959	0.9
255.02950	0.7
263.03381	0.8
265.04965	0.9
267.02844	2.5
279.02942	0.7
281.04407	0.6
293.04254	0.3
295.02264	2.3
307.02335	0.4
307.05820	0.4
315.06406	0.4
319.02524	0.5
319.06064	0.4
321.00409	0.4
323.01880	0.5
327.06470	0.7
331.06049	0.4
335.05365	0.7
335.08942	0.4
339.06375	0.5
340.03604	0.5
341.08218	0.8
342.05029	0.4
345.03986	0.5
345.07733	0.7
346.04797	0.3
347.05457	1.1
351.08774	0.5
353.04517	0.6
355.05820	1.3
357.07486	0.5
358.04852	0.4
363.04764	0.7
363.08533	0.8
366.05444	0.6
367.06082	0.4
368.02985	0.4
369.03436	0.5
371.05469	0.8
373.07074	0.7
379.08136	0.6
381.03641	0.5
383.05505	1.5
391.04391	0.5
392.05179	0.5
398.08121	0.7
399.04407	0.5
401.06628	1.1
403.04422	0.5
403.11182	0.4
404.05179	0.6
407.07434	1.2
411.04868	2.6
413.06534	0.8
420.04645	2.5
422.09164	0.4
423.04950	0.5
425.06708	0.7
426.07724	0.7
427.03909	0.7
429.06070	1.5
431.11588	0.4
435.06726	3.4
439.04456	10.7
440.05054	0.5
444.08414	1.0
447.07571	0.4
450.09390	5.3
452.05331	2.8
453.06009	1.6
454.06827	1.1
455.03952	1.3
456.04745	0.5
457.05292	2.5
459.10870	1.1
463.10101	0.7
469.09247	6.8
470.06372	0.4
471.07468	0.5
472.08063	0.5
475.06421	0.5
477.12027	0.5
483.03308	0.4
485.08823	0.9
487.09888	1.9
497.08319	0.6
498.09644	0.5
499.05930	0.4
501.03979	0.5
505.11139	1.7
513.07953	0.8
515.09839	0.8
531.09106	1.9
533.10986	1.0
547.04565	0.5
549.10272	1.2
559.08398	1.4
577.09668	100.0
578.09943	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	575.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03924	2.2
55.05504	38.6
57.07067	75.6
60.67537	0.8
65.03934	1.5
67.05493	45.3
69.07056	71.8
70.07383	0.9
71.04972	1.1
71.08620	58.9
71.42013	1.6
71.42374	1.3
79.05482	7.8
81.07046	81.4
81.39584	1.0
82.07383	1.3
83.08607	58.7
83.43603	0.8
83.72722	0.8
84.08956	1.2
85.06523	1.6
85.10169	39.2
85.19955	0.7
87.04433	1.1
91.05457	3.6
93.07034	4.6
95.08591	100.0
96.08912	1.8
97.10155	51.3
99.11705	5.5
105.07008	2.1
107.08553	2.1
109.10139	60.8
111.11703	41.2
111.12482	1.4
113.13274	2.7
121.10132	1.2
123.11689	26.5
125.12409	1.5
125.13250	18.0
127.14821	2.2
130.14621	0.9
133.10092	1.9
135.11617	1.1
137.13234	13.5
139.14777	6.7
141.16309	1.9
151.14775	10.0
153.16325	3.1
165.16393	9.6
167.17896	1.4
179.17920	4.2
193.19495	1.3
195.20918	0.9
209.06145	0.9
221.22606	1.1
239.23630	1.3
249.41737	0.8
263.23334	1.2
277.28806	1.0
291.30362	2.1
307.00879	0.9
333.35205	1.5
361.38184	3.7
482.39438	1.7
557.60095	15.4
575.49933	12.7
575.60986	12.3
576.50317	1.4
576.60876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01849	7.8
55.05496	42.4
57.03419	10.8
57.07065	6.9
59.05003	4.9
65.03929	4.5
67.05495	100.0
69.03420	4.9
69.07056	28.9
71.04991	19.1
72.97605	3.2
79.05482	74.6
81.03400	13.3
81.07049	68.9
83.04975	8.0
83.08593	18.9
85.06502	7.4
88.11163	3.9
91.05468	56.7
93.07029	77.2
95.04922	16.6
95.08591	69.2
97.06502	11.2
97.10149	19.8
98.21484	9.2
99.08094	8.9
101.98734	3.1
105.07017	53.1
107.04977	8.3
107.08581	39.1
109.06500	11.0
109.10154	20.3
111.04433	4.0
111.08003	6.5
115.05407	3.9
117.07011	34.5
119.08552	40.8
121.06515	7.7
121.10117	35.5
123.08030	10.9
123.11694	5.6
125.09637	17.9
129.07002	25.4
130.07803	3.6
131.04785	3.5
131.08571	39.2
133.10126	24.9
135.08026	13.5
135.11658	15.2
137.09550	4.8
141.06937	7.5
142.52211	3.4
143.08578	22.1
145.06390	4.1
145.10101	31.0
147.07999	5.4
147.11668	20.5
149.09595	12.7
149.13251	6.8
153.07082	4.1
155.08534	15.5
157.10080	18.1
159.07924	4.2
159.11685	25.7
161.09615	5.6
161.13231	9.5
163.11127	11.4
167.08522	4.4
169.10109	16.0
171.11623	20.9
173.09589	7.0
173.13216	16.0
174.83813	3.3
181.10152	4.4
183.11700	11.1
185.09630	5.5
185.13220	16.0
187.14771	6.6
189.11188	10.9
191.10631	5.7
195.11600	7.2
197.13182	10.5
199.14856	5.8
207.11673	3.6
209.13263	8.1
217.15755	4.7
219.11650	3.1
221.13200	3.2
224.61394	3.9
225.16422	7.0
227.12602	18.0
229.93585	4.5
229.95641	3.6
235.06064	3.4
259.20505	4.3
283.20599	4.3
285.21985	5.7
289.18182	3.5
291.19336	5.1
299.23715	9.8
317.25024	4.1
325.21487	3.7
329.24649	3.8
348.08258	3.8
421.25717	9.7
433.30798	12.9
433.60352	4.1
448.45612	4.0
451.31894	11.8
469.32932	8.0
499.33893	6.8
517.35236	36.5
525.35699	52.1
543.36725	53.3
557.38171	20.4
575.39734	42.2
575.48639	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	575.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01870	11.4
55.05504	49.7
55.39688	2.7
57.03444	11.4
57.07071	4.6
59.04991	2.9
63.21437	2.6
65.03955	5.9
67.05498	100.0
69.03432	5.8
69.07060	34.4
69.40368	13.5
69.40789	9.5
71.04977	21.2
79.05486	76.6
79.05931	4.6
81.03407	16.5
81.07049	78.2
83.04963	12.7
83.08617	29.9
85.02900	4.4
85.06535	12.8
91.05466	78.4
93.07040	67.7
95.04958	17.8
95.08600	80.6
97.06561	11.1
97.10159	26.7
98.20713	4.0
99.08116	9.3
101.81750	2.8
105.07024	60.1
105.07716	4.3
107.04972	9.9
107.08581	43.5
107.09254	3.7
107.98761	2.5
109.06521	13.6
109.10147	27.0
111.04467	5.6
111.08104	8.5
115.05427	6.2
117.07003	40.1
119.08565	52.8
121.06541	8.1
121.10130	31.4
121.10876	2.8
123.08087	12.4
123.11726	6.2
125.09609	25.0
128.06250	5.4
129.06981	29.0
130.07768	4.6
131.08546	49.7
133.06499	5.4
133.10120	29.0
135.07127	3.3
135.08099	9.8
135.11687	16.5
137.09656	5.0
141.07039	7.0
141.64050	2.6
142.07834	7.5
143.08537	25.9
144.09262	5.0
145.06494	4.6
145.10117	43.3
147.08092	9.5
147.11696	21.1
149.09550	12.8
149.13237	6.1
151.11197	2.9
152.92696	2.5
153.09201	2.5
155.08540	16.4
157.10117	29.6
159.08084	6.2
159.11646	27.5
161.09683	8.6
161.13274	8.9
161.16415	2.7
161.51274	2.4
163.11192	3.5
165.12854	2.9
167.08543	5.7
168.09297	4.5
169.10072	17.2
171.07986	2.6
171.11655	24.8
173.09637	5.9
173.13264	17.6
175.11191	12.1
177.12836	4.2
181.10146	10.3
181.12167	2.7
183.11624	14.6
185.09651	3.9
185.13232	14.5
187.11212	3.4
187.14902	7.6
189.11212	13.4
189.12732	4.4
193.12228	7.1
195.11682	12.5
197.09718	2.9
197.13330	11.2
199.14857	7.3
201.16412	4.4
203.14270	3.3
207.11684	2.8
209.13287	10.5
211.13176	3.5
211.14943	4.7
213.12675	3.0
215.14354	3.4
221.13361	3.9
223.14877	5.9
227.12683	19.0
233.15550	3.6
237.16692	4.8
251.16376	3.3
259.20645	3.9
264.43344	2.8
267.15891	5.8
273.18515	14.4
275.20248	6.1
283.20618	4.8
285.22214	10.8
287.19971	2.6
291.19513	15.4
295.20313	3.3
297.21942	4.2
299.20447	3.6
299.23520	13.8
301.21567	3.2
309.21957	3.4
313.21393	2.8
339.23236	4.5
341.24521	2.8
361.23770	3.0
365.23389	3.5
371.25912	4.1
415.29831	8.1
419.28400	3.0
421.25885	7.7
423.27753	3.4
433.31073	20.8
443.27609	3.2
451.32004	18.5
469.33307	9.7
499.34036	5.7
507.34543	7.7
517.35132	32.3
525.35712	64.0
543.36768	73.1
544.37524	3.5
557.38617	24.1
575.39923	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01849	7.8
55.05496	42.4
57.03419	10.8
57.07065	6.9
59.05003	4.9
65.03929	4.5
67.05495	100.0
69.03420	4.9
69.07056	28.9
71.04991	19.1
72.97605	3.2
79.05482	74.6
81.03400	13.3
81.07049	68.9
83.04975	8.0
83.08593	18.9
85.06502	7.4
88.11163	3.9
91.05468	56.7
93.07029	77.2
95.04922	16.6
95.08591	69.2
97.06502	11.2
97.10149	19.8
98.21484	9.2
99.08094	8.9
101.98734	3.1
105.07017	53.1
107.04977	8.3
107.08581	39.1
109.06500	11.0
109.10154	20.3
111.04433	4.0
111.08003	6.5
115.05407	3.9
117.07011	34.5
119.08552	40.8
121.06515	7.7
121.10117	35.5
123.08030	10.9
123.11694	5.6
125.09637	17.9
129.07002	25.4
130.07803	3.6
131.04785	3.5
131.08571	39.2
133.10126	24.9
135.08026	13.5
135.11658	15.2
137.09550	4.8
141.06937	7.5
142.52211	3.4
143.08578	22.1
145.06390	4.1
145.10101	31.0
147.07999	5.4
147.11668	20.5
149.09595	12.7
149.13251	6.8
153.07082	4.1
155.08534	15.5
157.10080	18.1
159.07924	4.2
159.11685	25.7
161.09615	5.6
161.13231	9.5
163.11127	11.4
167.08522	4.4
169.10109	16.0
171.11623	20.9
173.09589	7.0
173.13216	16.0
174.83813	3.3
181.10152	4.4
183.11700	11.1
185.09630	5.5
185.13220	16.0
187.14771	6.6
189.11188	10.9
191.10631	5.7
195.11600	7.2
197.13182	10.5
199.14856	5.8
207.11673	3.6
209.13263	8.1
217.15755	4.7
219.11650	3.1
221.13200	3.2
224.61394	3.9
225.16422	7.0
227.12602	18.0
229.93585	4.5
229.95641	3.6
235.06064	3.4
259.20505	4.3
283.20599	4.3
285.21985	5.7
289.18182	3.5
291.19336	5.1
299.23715	9.8
317.25024	4.1
325.21487	3.7
329.24649	3.8
348.08258	3.8
421.25717	9.7
433.30798	12.9
433.60352	4.1
448.45612	4.0
451.31894	11.8
469.32932	8.0
499.33893	6.8
517.35236	36.5
525.35699	52.1
543.36725	53.3
557.38171	20.4
575.39734	42.2
575.48639	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	575.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
54.81445	2.4
55.01863	13.6
55.05506	51.0
57.03424	16.1
57.07064	4.4
59.05009	4.1
65.03943	3.5
67.05496	100.0
69.03421	11.5
69.07056	38.3
71.01351	5.0
71.04686	2.0
71.04992	17.9
71.66098	5.9
79.05483	88.0
81.03410	15.6
81.07043	93.0
83.04977	14.2
83.08611	29.6
85.02883	2.9
85.06532	6.9
87.04471	2.1
91.05465	80.9
91.06043	4.0
93.07030	78.2
95.04961	22.5
95.08594	58.8
97.02886	4.4
97.06538	14.9
97.10155	23.9
99.04435	3.4
99.08098	6.1
102.45865	2.4
105.07018	67.1
107.04983	12.7
107.08582	50.4
109.06522	12.4
109.10146	35.2
111.04437	2.9
111.08068	9.5
115.05449	5.5
117.07005	35.4
119.08561	58.8
121.06506	8.9
121.10139	31.1
123.08046	7.9
123.11696	7.6
125.09631	18.1
128.06216	6.8
129.06990	24.5
130.07771	2.9
131.08549	44.5
133.06517	7.2
133.10117	38.7
135.08034	13.9
135.11697	17.8
137.05995	4.4
137.09608	8.1
139.11198	2.5
141.06992	6.8
142.07771	6.4
143.08543	29.4
145.06509	4.2
145.10101	37.9
147.08047	7.9
147.11673	36.5
149.09625	11.3
149.13249	8.0
151.11192	4.5
153.09114	3.6
155.08539	14.4
156.09215	2.7
157.06427	2.7
157.10112	31.5
159.08046	4.7
159.11670	28.0
161.09567	7.3
161.13255	15.5
163.11156	10.4
163.14786	3.2
167.07170	3.6
167.08490	5.6
169.10138	13.7
171.11659	19.0
173.09555	5.5
173.13278	17.7
175.11176	7.3
175.14738	7.3
177.12695	2.8
181.10107	8.8
181.12349	3.9
183.11668	11.3
185.09543	3.1
185.13249	16.1
187.11168	5.5
187.14818	6.7
189.11197	9.5
189.12764	4.4
189.16299	3.4
193.10193	4.6
193.12251	6.9
195.11658	8.4
197.13257	10.6
199.14864	6.3
201.12772	4.7
209.11604	3.7
209.13318	3.8
211.13196	3.1
211.14931	5.6
215.17938	2.8
223.14885	4.2
225.11182	5.6
225.16367	3.3
227.12726	23.7
235.14784	3.1
239.17873	3.9
241.19626	12.0
259.20535	24.4
267.15881	7.0
273.18442	9.0
275.20151	17.9
283.15387	8.6
283.20517	3.6
285.21982	3.8
289.17941	3.4
291.19476	14.7
296.55008	2.5
299.14786	20.7
299.23624	10.2
301.21332	3.0
311.19858	3.2
313.21686	4.1
321.22156	4.2
329.20865	3.1
331.22574	2.7
333.24496	11.5
347.22253	2.9
355.26471	3.6
365.23135	5.1
373.24390	2.8
415.29971	7.0
421.25854	4.9
433.30936	13.7
451.32040	11.2
465.29584	3.3
466.34598	2.6
469.33084	6.6
479.03116	2.4
501.52872	3.0
507.34384	6.2
517.35187	25.4
525.35583	36.1
539.33490	5.9
543.36743	37.4
544.36688	3.4
557.35620	12.6
557.37231	12.9
575.08014	4.2
575.37946	22.6
575.49835	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	574.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29196	1.8
55.01862	2.1
55.05506	5.5
57.03439	2.8
57.06810	3.5
57.07071	48.9
57.61028	1.7
67.05502	16.4
69.07059	9.6
71.08625	36.2
71.59221	3.3
79.05492	4.2
81.07050	25.1
82.07340	1.6
83.08614	12.4
85.10168	20.6
86.85732	1.7
91.05453	2.8
93.07034	2.9
95.08595	24.8
97.10155	8.2
99.04454	3.7
103.07577	2.4
105.07006	2.1
109.02856	2.3
109.10124	17.1
121.10146	2.1
123.11672	6.8
127.03935	2.1
141.33302	2.1
191.00101	2.5
230.28891	2.0
239.23659	34.8
257.24637	2.5
313.27310	100.0
331.28369	8.7
539.28546	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	575.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	4.0
71.60261	3.3
76.46855	1.9
85.02895	5.5
87.04463	2.3
91.05457	2.8
97.02869	3.2
98.70377	1.9
98.97547	2.9
101.00861	6.9
103.02390	2.3
118.97397	1.9
119.01900	38.6
119.04881	2.2
127.02426	2.2
128.27377	2.6
131.01895	6.7
133.03436	3.7
137.02937	7.6
142.03465	2.4
143.01901	21.9
145.03441	28.9
155.01872	7.2
157.03447	15.1
161.02914	33.7
163.04524	5.1
167.01878	15.7
173.02942	19.8
175.04521	7.1
185.01248	4.2
185.02925	75.7
187.04480	4.2
195.05223	2.8
197.02914	8.3
199.04568	2.3
203.03987	100.0
204.04242	3.0
209.06573	17.7
215.03966	31.2
219.01765	4.4
219.05029	11.5
226.05624	3.4
233.04915	9.0
233.06891	18.0
235.08275	2.6
237.06067	42.7
238.06100	2.2
245.04785	12.4
251.07669	12.4
255.07072	19.5
261.05972	7.9
263.07718	2.9
275.05945	85.0
279.07071	30.6
281.05072	5.4
293.08566	7.5
299.06052	2.4
302.08832	2.3
303.07056	11.5
304.06693	2.4
307.06625	2.1
315.06830	2.4
321.08160	37.2
323.06027	20.2
333.08194	8.6
335.07825	1.9
341.07184	13.1
351.09167	6.7
365.07181	7.4
377.07236	3.3
383.08151	8.5
393.10300	13.6
395.03296	4.3
395.08154	52.2
409.64703	2.2
413.09122	2.7
437.09073	3.5
455.10275	69.7
456.10831	2.4
515.12604	10.5
575.14325	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	575.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81437	0.9
53.03916	1.4
55.01856	1.8
55.05487	2.5
56.45279	0.9
57.03436	0.9
57.07049	2.1
66.33443	0.8
67.05498	7.5
69.03428	4.7
69.07057	5.8
69.28656	3.6
69.29086	6.3
71.04973	1.2
71.08617	1.5
79.05473	5.5
81.03397	4.0
81.07050	12.2
83.04959	1.0
83.08632	4.2
85.02892	5.8
85.06527	2.0
87.00803	2.6
89.03887	1.5
91.05479	4.3
93.07027	6.7
95.04932	3.2
95.08593	10.4
97.02876	100.0
97.06506	1.8
97.10138	2.4
98.03218	3.2
98.20660	1.8
99.04436	1.0
105.01853	1.7
105.03374	6.9
105.06970	4.0
107.04922	1.1
107.08583	7.5
109.02851	2.3
109.06561	0.9
109.10137	6.3
111.11684	1.5
117.03365	5.1
117.06991	1.6
119.08570	3.7
121.10104	4.4
123.08098	1.3
123.11678	2.1
127.03902	5.0
130.06491	4.3
131.08531	1.7
133.10106	4.1
135.11661	3.6
137.13260	1.8
143.08543	1.6
145.02852	11.1
145.10196	1.1
146.03116	1.0
147.04411	1.9
147.11653	2.0
149.05952	1.7
149.13232	3.8
155.10623	0.9
159.11662	1.6
161.13167	1.4
163.11157	1.0
163.14787	1.7
175.14851	1.0
177.05431	29.7
178.05943	1.3
189.16331	1.1
263.02710	0.9
273.25742	4.7
275.20093	1.4
276.57391	0.8
279.26779	1.3
291.26822	5.1
309.27719	4.4
327.28937	1.2
363.61801	0.9
370.08981	5.1
446.10544	1.2
513.16180	2.4
542.91870	0.9
575.15912	2.0
575.34912	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	573.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.5
53.03936	11.2
53.67441	1.8
55.01864	15.9
55.05503	40.0
57.03424	7.5
57.07060	4.6
65.03922	6.2
67.05497	94.9
69.03410	6.5
69.07057	32.5
70.09657	1.5
70.60182	6.2
71.04963	5.7
73.06567	2.5
77.03933	1.6
79.05483	97.8
80.57668	1.5
81.03410	10.9
81.07046	100.0
83.04980	17.5
83.08604	19.3
85.02897	2.3
85.06519	4.9
87.04451	1.7
91.05466	83.9
93.07033	82.3
95.04964	28.0
95.08591	55.0
97.02875	3.2
97.06519	24.5
97.10158	12.4
99.08085	2.2
103.05449	3.1
105.04485	2.5
105.07014	73.1
107.04935	19.2
107.08580	34.8
109.06496	17.0
109.10149	20.4
111.08059	4.9
113.05975	1.8
115.05437	3.0
117.07018	22.4
119.08566	49.9
119.17115	1.7
121.06480	9.7
121.10130	22.6
121.11501	1.7
123.04356	2.8
123.08061	9.3
123.11700	8.7
125.09637	9.2
127.07520	2.4
128.06244	3.8
129.07005	18.6
131.08563	19.8
133.02837	2.2
133.06470	4.9
133.10114	35.0
135.08043	7.5
135.11694	9.9
137.05943	3.9
137.09605	5.1
139.11101	1.9
141.06972	5.2
143.08525	13.6
145.06447	3.0
145.10109	25.3
147.08014	5.8
147.10580	3.3
147.11670	43.5
149.09615	16.5
149.13240	6.8
151.11185	3.7
155.08530	5.5
157.10100	5.2
159.08020	1.9
159.11699	13.0
161.09578	7.1
161.13223	13.7
163.11189	10.3
165.08997	1.8
165.12744	5.4
167.06976	4.7
169.10114	5.3
171.11641	21.9
173.09508	2.4
173.11864	2.3
173.13214	5.8
175.11127	4.3
177.12718	4.9
179.10649	2.0
179.14247	2.5
183.11679	3.8
185.13245	3.1
187.11165	3.0
189.11153	5.3
189.12737	10.2
192.56659	1.9
193.12198	4.4
197.13214	2.5
199.14706	2.3
201.16306	2.4
207.13762	18.7
227.12769	10.9
229.19458	2.5
239.17921	5.3
247.20563	6.6
257.19009	13.5
267.15900	3.5
271.16837	2.4
273.18286	3.1
275.20029	75.2
275.23056	3.6
276.20331	2.6
281.17453	33.6
289.17725	2.4
291.19443	6.8
293.21075	8.7
315.04901	3.4
325.21048	1.6
330.07526	1.7
331.22757	3.4
337.09418	1.6
345.09604	3.6
349.23715	23.8
376.37738	1.6
377.23093	1.7
475.30621	1.7
497.31937	1.9
537.21075	7.7
537.35437	2.9
555.22778	12.9
555.36835	31.6
573.22919	9.1
573.37048	20.8
573.48322	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	573.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98633	1.3
51.02380	2.4
53.03943	9.2
55.01862	22.7
55.05501	36.2
57.03423	8.8
57.07066	2.6
61.80967	1.6
65.03934	6.9
67.05494	75.9
68.05830	1.9
69.03410	4.9
69.07057	27.9
71.04977	4.8
71.08627	2.9
71.58888	1.8
71.59323	2.7
73.06537	1.8
77.03928	2.4
79.05480	100.0
81.03408	7.8
81.07046	74.1
82.07391	2.4
83.04966	17.1
83.08611	17.0
83.53646	1.7
85.02887	1.7
85.06523	5.0
91.05465	76.1
93.07031	84.0
93.42014	1.7
94.07381	2.0
95.04958	29.9
95.08591	40.6
97.02855	2.4
97.06523	31.8
97.10158	12.8
99.08076	1.9
103.05473	3.4
105.04505	3.2
105.07014	79.7
107.04940	28.8
107.08579	39.2
107.09262	2.9
109.06515	15.5
109.10137	18.6
111.08041	7.6
113.06034	2.4
115.05449	3.9
117.07001	21.9
119.08562	46.3
121.06491	5.4
121.10127	14.6
123.08033	7.6
123.11704	6.2
125.09625	11.6
128.06190	4.4
129.06998	16.4
130.07796	1.8
131.08554	27.5
133.06468	2.8
133.10114	26.3
135.08046	7.4
135.11647	10.3
137.09598	4.0
141.06955	3.4
143.08508	13.8
145.06462	2.7
145.10107	29.8
147.08015	4.5
147.11661	41.8
149.09593	24.1
149.13232	4.5
151.11145	3.7
155.08513	3.6
157.10117	7.0
159.08044	3.9
159.11626	9.7
161.09595	5.3
161.13251	14.8
163.11154	15.6
165.09128	1.8
167.08501	1.9
169.10126	4.6
171.11684	28.7
173.11893	1.9
173.13271	7.3
175.11221	3.5
175.14749	2.2
177.12706	3.8
179.14294	2.5
182.59117	1.8
183.11687	3.5
185.13255	3.6
187.11154	2.8
187.14853	3.0
189.11212	5.7
189.12752	9.8
195.11661	1.8
195.13841	1.7
197.13235	3.8
201.12755	2.2
207.13725	20.2
221.13306	1.7
227.12715	22.0
229.14290	2.1
229.19519	4.8
239.17926	4.0
247.20657	3.7
257.19049	11.6
273.18469	5.8
275.20026	76.9
276.20358	3.2
279.16031	2.0
281.17429	36.1
291.19501	5.5
293.21146	5.3
349.23679	29.6
377.23300	3.9
445.31189	1.7
451.26901	4.0
459.31393	2.6
475.30417	1.9
555.36652	37.4
556.36755	2.1
573.37341	16.5
573.48193	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	572.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70691	0.3
55.05495	0.5
56.64072	0.2
57.03454	0.3
63.30288	0.3
67.05496	0.5
68.99798	0.4
69.03408	0.4
69.07055	0.4
70.06603	0.3
70.23653	0.2
71.58496	0.3
71.58871	0.3
77.21532	0.2
79.05488	0.6
81.03408	0.6
81.07028	0.5
85.02887	0.4
86.06078	2.1
91.05470	0.9
93.07047	0.3
97.02879	0.5
97.06531	0.4
105.03349	0.4
105.07037	0.5
107.04933	0.5
107.08546	0.3
109.06487	0.4
117.87644	0.3
119.01310	0.8
121.02864	0.5
123.04401	0.3
125.06003	0.3
125.08861	0.3
130.18088	0.3
135.04456	0.5
137.06021	0.3
139.07555	0.3
145.02852	0.4
147.00809	0.3
147.04359	0.7
149.05966	0.5
151.03868	0.3
161.05998	0.9
163.03870	0.8
165.01817	4.2
167.07027	0.9
169.06558	0.7
177.05478	1.1
178.06242	3.0
179.03288	0.4
181.06398	0.4
183.02847	0.7
189.05392	0.4
191.03329	0.8
191.06969	0.7
193.04852	0.4
197.00781	0.8
197.06021	1.5
205.05008	0.7
209.06003	0.4
211.07523	0.6
213.05623	0.3
221.05920	0.3
222.06725	0.3
223.04080	0.3
223.07486	0.4
225.05447	1.8
227.10643	0.3
237.05437	1.2
239.06992	0.9
240.04321	0.3
240.07907	0.6
242.05879	1.9
243.06467	0.5
246.09764	0.3
251.07082	0.8
252.07803	0.4
253.04939	5.0
255.06534	0.3
256.07245	0.4
257.04501	0.6
265.05005	0.6
267.06592	1.7
267.08963	0.3
268.07309	1.7
269.08112	0.9
270.05270	0.5
271.06036	0.5
272.06812	0.8
279.06552	0.9
281.04437	8.7
281.07681	0.6
282.05069	0.4
283.06009	0.9
283.09573	0.6
285.07632	1.0
295.05969	3.0
296.06738	4.3
297.07492	1.1
298.08237	0.5
299.05566	1.7
300.06296	0.8
307.05905	0.5
309.04001	4.7
309.07574	0.8
310.04688	0.7
310.08212	0.5
311.05734	0.5
311.09055	3.3
312.06332	0.8
312.09735	0.6
313.07199	2.7
313.10556	0.6
314.07758	0.5
323.05548	1.7
324.06253	8.4
325.07120	1.4
325.10568	0.3
326.04163	0.8
327.04996	7.6
327.08368	0.3
328.05762	4.8
329.06671	0.4
338.07761	1.0
339.08664	3.4
340.09378	0.5
341.06528	22.8
342.07007	0.9
343.08063	2.9
356.08881	19.8
357.09375	1.1
361.08737	0.6
371.11221	100.0
372.11646	2.6
373.08987	0.4
441.15320	0.9
456.21857	0.3
469.14835	0.3
496.19458	1.1
522.17737	0.6
536.19727	0.3
553.21979	0.3
554.20264	9.4
572.21851	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	571.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.6
55.01863	14.0
55.05504	57.1
57.03429	3.0
57.07060	5.8
65.03928	4.6
67.05144	4.4
67.05495	80.7
68.96523	2.6
69.03441	4.1
69.07056	46.1
70.53806	7.7
71.04972	8.4
71.54732	2.3
73.06483	2.0
79.05479	44.3
81.03432	4.1
81.07042	79.5
83.04967	10.3
83.08604	33.3
85.06487	3.1
89.29046	2.1
91.05463	48.8
93.07028	60.1
95.04937	9.0
95.05519	2.1
95.08589	62.9
97.06512	12.3
97.10155	33.8
98.25394	2.5
99.08086	2.3
105.06334	3.8
105.07008	53.0
107.04961	3.8
107.08569	41.4
109.06477	4.6
109.10138	36.2
111.08064	3.4
111.11677	3.0
115.05431	4.3
117.07006	36.8
119.07738	4.0
119.08556	48.1
121.10126	25.4
123.08067	4.1
123.11656	10.1
125.09616	27.3
128.06172	2.6
129.06982	20.9
131.08545	56.6
133.06548	2.3
133.10117	39.3
135.08025	7.1
135.11670	14.2
137.09612	2.9
137.13226	2.9
141.06978	6.9
142.07768	4.6
143.08546	23.9
144.09335	2.5
145.10092	55.9
147.11665	25.1
149.09622	2.9
149.13225	11.2
153.12738	3.1
153.28722	2.5
155.08563	12.0
157.10104	25.0
159.08046	2.6
159.11653	42.2
161.13251	13.8
163.14781	4.4
167.06995	3.7
167.08449	2.7
169.10117	11.0
171.11653	25.2
173.13237	28.0
175.11116	3.6
175.14774	9.8
177.12831	2.6
181.10092	5.1
183.11624	16.7
185.13229	19.9
187.13332	3.5
187.14743	15.6
189.11176	13.8
189.12654	2.9
189.16309	3.5
195.11655	4.6
197.13228	11.5
199.14752	11.3
201.16379	14.7
203.17967	2.9
207.13737	2.2
209.13322	4.8
211.14825	6.5
213.16359	8.2
215.17914	8.0
215.66498	2.5
223.14822	4.8
225.16388	4.8
227.17917	3.6
229.19490	6.9
235.17004	3.1
237.16287	2.6
239.73735	2.5
241.19487	3.8
243.21111	3.5
245.19037	2.4
249.18404	2.8
255.20967	3.0
273.18472	5.8
275.20013	7.2
277.21603	9.5
285.18512	2.7
285.21933	4.1
287.20193	3.3
289.21738	3.7
291.19531	5.5
297.21832	4.3
299.20200	2.4
299.23618	3.7
301.21671	3.2
303.23059	5.8
307.64804	2.3
315.23151	10.3
317.24719	4.3
325.21597	2.5
325.25119	4.2
329.24667	2.7
341.24796	4.4
343.26123	4.4
355.26193	3.6
355.30765	2.5
357.27750	2.8
365.28082	2.6
367.29971	8.2
369.27878	3.8
373.31039	4.0
383.33139	7.2
385.30969	100.0
386.31192	5.3
399.32428	5.8
402.34021	2.4
423.32407	4.9
441.33844	3.5
447.32849	4.1
459.34668	10.8
473.35895	3.3
513.39026	4.1
517.40448	11.2
535.41449	25.7
536.41956	5.2
553.42438	71.9
554.42487	5.8
571.36060	6.9
571.43518	63.9
572.43427	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	571.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01860	13.3
55.05502	26.2
57.03427	27.7
57.07070	2.6
65.03931	9.0
67.05495	100.0
69.03425	5.0
69.07063	19.6
71.04985	6.2
79.05019	4.7
79.05480	88.9
81.03417	12.7
81.07046	65.5
83.04951	11.1
83.08615	15.1
85.06530	23.3
91.05466	81.7
93.07030	76.1
95.04955	83.6
95.08591	35.5
97.06526	12.8
97.10147	5.7
103.05447	3.1
105.07011	56.4
105.07716	2.8
107.04932	24.4
107.08579	34.8
107.09254	3.7
109.06497	73.0
109.10138	12.9
111.08070	3.5
113.05993	62.4
115.05463	5.2
117.07004	25.9
119.08569	35.0
121.06484	11.5
121.10114	14.7
123.04460	2.8
123.08039	10.6
128.06209	5.1
129.06996	22.1
131.08537	30.4
133.06508	6.0
133.10092	18.1
133.10905	2.1
135.08028	45.2
135.11658	13.0
137.05984	3.2
137.09589	3.4
141.06979	5.4
142.07751	3.9
143.08531	20.2
145.06427	5.0
145.10094	25.7
147.07990	12.9
147.11664	28.4
149.09566	10.2
149.13234	3.4
151.07524	2.2
155.08563	5.8
156.09383	3.3
157.10138	10.7
159.08055	6.1
159.11621	10.3
161.09598	16.5
161.13248	11.9
163.11176	8.4
169.10049	3.2
171.11671	21.7
173.09604	4.7
173.13292	5.0
175.11137	5.2
177.12671	4.5
178.16545	2.1
179.14276	3.9
183.11665	4.2
185.09589	3.9
185.13246	3.0
187.11082	4.7
189.12747	8.8
189.16374	3.0
195.11644	4.9
195.13731	2.5
199.14861	8.0
201.12715	3.4
205.61407	2.1
207.11801	2.7
207.13771	7.0
217.15855	19.9
227.17918	3.0
233.15425	2.2
237.16460	2.4
245.18993	3.6
255.17404	6.1
264.93521	2.3
273.18454	52.7
275.19931	5.5
279.15948	5.5
281.17450	13.9
291.19489	85.8
292.19666	2.4
338.29340	2.1
347.22192	8.9
365.23102	3.3
464.06149	2.0
553.20636	8.6
553.35229	9.9
571.22211	4.7
571.36414	32.5
571.45673	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	571.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03938	3.7
55.01865	6.4
55.05504	20.1
57.03424	1.7
57.07065	0.9
65.03925	2.4
65.52625	0.6
67.05494	35.8
69.03419	7.0
69.06687	1.3
69.07058	23.6
71.04977	2.0
71.65745	0.8
71.66165	0.9
73.06545	0.6
79.05480	44.5
81.03410	7.6
81.07044	32.3
81.07542	0.9
83.04974	7.0
83.08607	7.5
85.02901	0.9
85.06543	1.5
90.57394	0.6
91.05466	35.0
93.07029	32.0
94.04207	0.6
95.04951	15.4
95.08591	18.9
97.02887	6.1
97.06503	5.1
97.10155	7.7
103.05485	1.0
104.85320	0.5
105.04539	1.1
105.07014	25.9
107.04945	10.5
107.08570	15.2
109.06499	4.8
109.10137	6.9
111.04438	1.2
111.08063	2.0
115.05449	2.1
117.07001	9.4
119.04955	1.1
119.08561	18.4
120.08883	0.8
121.06501	3.2
121.10111	5.1
123.04410	1.0
123.08050	5.8
123.11694	1.0
125.09610	3.7
127.07555	0.9
128.06223	2.8
129.06993	10.3
130.07693	1.0
131.08553	8.4
133.06471	3.7
133.10112	8.4
134.07220	0.7
135.08025	2.8
135.11659	2.7
137.09622	1.8
141.06987	1.5
142.07782	1.3
143.08542	6.4
145.06500	1.3
145.10107	8.0
147.08017	6.0
147.11662	13.9
149.05988	0.9
149.09583	1.7
149.13251	2.2
153.09109	1.2
155.08514	1.5
157.10136	3.9
159.08044	1.8
159.11690	2.7
161.09563	3.9
161.13234	6.3
162.10371	0.7
163.11131	2.2
165.09091	1.8
165.86324	0.7
167.08527	0.8
169.10149	1.2
171.08118	0.6
171.10236	0.9
171.11652	10.1
171.13054	0.8
173.09673	1.1
173.13266	1.3
175.11169	3.6
177.12788	2.0
181.10138	0.7
183.07986	0.6
185.13269	1.2
187.11176	1.4
189.11195	2.6
189.12750	5.7
195.11922	0.8
195.13832	1.9
199.11256	0.7
199.14900	0.7
205.12204	1.1
207.13763	9.8
209.13257	0.7
215.14430	0.8
223.13232	11.2
225.11212	1.1
225.14902	1.9
227.12775	2.8
245.18974	1.8
249.14870	2.5
255.17487	1.1
256.26398	0.7
263.16382	0.9
273.18442	18.8
275.20029	1.3
281.17490	2.6
289.17975	0.6
291.19501	74.7
292.19907	1.4
327.23218	1.1
329.21213	0.9
347.22159	3.2
356.70834	0.6
365.23325	2.1
473.28595	0.7
553.35065	3.0
571.36188	100.0
572.36566	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	571.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99190	0.3
55.01860	0.5
55.05475	0.7
55.14072	0.4
59.40287	0.3
67.05456	0.9
68.99738	0.6
69.03406	0.8
69.07037	0.5
79.05463	1.1
81.03384	1.3
81.07036	1.8
83.04959	0.4
84.08128	0.6
85.02884	1.6
89.03886	0.4
89.32580	0.3
91.05459	1.8
93.07025	1.6
95.04947	1.0
95.08585	0.9
97.02892	2.0
97.06525	0.6
103.05424	1.1
105.03323	0.4
105.07006	1.2
107.04926	0.8
109.02882	0.7
109.10135	0.5
117.03368	0.6
119.04920	0.4
119.08527	0.6
121.02779	0.4
121.06457	1.4
121.10147	0.5
123.04403	3.5
125.05990	0.4
127.03890	0.7
131.04935	2.1
131.08556	0.6
133.10057	0.4
135.04381	0.6
135.11671	0.4
137.05956	1.7
145.02840	0.8
145.06503	0.4
145.10101	0.4
147.04379	1.0
149.05940	1.4
151.07455	0.4
153.01825	1.4
159.07991	0.6
161.05983	0.5
161.09579	0.4
163.03856	1.2
167.07030	7.1
175.03857	0.4
177.05444	4.5
178.06207	5.8
187.07529	2.1
189.05412	0.7
191.06973	0.7
201.09113	1.5
209.08000	1.0
211.49881	0.4
214.50218	0.4
216.04167	1.6
223.62315	0.4
227.03293	0.5
227.09097	1.0
231.06509	1.2
241.05052	0.5
243.06628	0.6
244.03598	1.0
245.08096	0.5
255.02846	7.0
259.06027	2.2
269.04416	2.1
271.06027	0.6
272.03201	0.7
281.04483	0.5
283.02313	1.7
283.05920	1.1
285.03970	0.5
287.05478	7.6
297.03891	1.8
299.05515	1.3
300.02652	3.2
312.06244	0.9
313.06921	1.1
315.04956	42.1
316.05273	1.3
323.12753	2.3
329.06522	1.1
330.07281	19.1
331.07773	1.8
345.09641	100.0
346.09952	2.4
359.07523	1.1
449.10208	0.6
461.16013	0.8
479.16745	1.0
525.12677	0.6
535.19434	0.5
553.20630	1.3
571.12775	0.5
571.21674	1.5
573.99341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63242	1.9
85.02858	1.6
97.02873	1.4
101.00842	6.4
119.01913	26.1
131.01894	7.9
133.03455	3.8
137.02928	5.3
143.01871	17.5
145.03459	13.6
147.01363	3.0
149.01268	1.3
149.02950	1.5
155.01845	13.8
157.03464	8.8
161.02933	29.8
163.04527	2.7
167.01878	5.5
168.99808	2.5
169.03444	3.7
171.01410	1.6
171.04990	3.4
173.02943	23.6
175.04492	4.3
177.02493	1.8
179.01892	2.4
184.04483	1.4
185.02943	41.4
187.00818	3.5
187.04480	5.1
189.02449	3.2
191.03984	4.2
197.02927	18.7
199.00847	3.5
203.03954	14.1
209.02769	1.4
213.02367	1.8
215.00346	4.1
215.03979	7.8
217.01851	3.8
219.03461	2.8
221.05026	3.0
227.04012	9.1
228.05669	5.4
228.55913	4.0
229.01952	1.5
231.03436	4.2
239.04054	1.5
245.05048	100.0
246.05295	3.2
247.02925	4.0
257.05057	5.0
263.06119	11.4
271.02927	2.4
275.02548	3.7
275.06104	15.5
289.03983	11.5
293.07071	4.6
301.03738	3.0
303.05405	2.0
303.47327	1.4
305.07166	10.0
307.05121	13.3
319.05060	4.7
331.05035	3.6
333.06631	2.1
335.08145	4.3
349.06033	8.5
359.04684	3.5
361.06180	2.6
365.09241	14.7
373.06192	2.7
377.05496	4.1
391.07202	8.8
409.08374	2.7
469.10352	1.8
481.34833	1.5
511.11349	2.8
539.10571	2.1
571.13147	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	571.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	1.2
56.96559	11.3
57.03423	1.5
69.03411	2.4
71.58863	1.3
73.02902	0.8
76.46809	0.7
77.31199	0.7
84.96020	3.6
85.02892	2.4
87.04465	1.1
97.02901	3.7
98.97568	36.4
108.25275	0.7
110.97546	8.6
112.10957	0.8
112.99095	1.4
115.03917	1.7
116.98604	15.4
119.01884	2.1
119.04926	1.0
121.55732	0.7
124.99118	1.5
128.98593	10.6
131.00165	3.8
133.03400	1.4
133.05009	0.8
134.99629	5.1
137.05983	3.2
140.98558	1.8
141.94156	0.7
143.00156	6.8
143.01860	1.5
143.41197	0.7
144.98071	1.7
145.03445	2.3
146.99614	6.0
147.04384	2.1
149.01173	4.0
151.00775	0.9
152.05705	1.0
152.98569	7.2
157.03430	0.8
158.99643	8.0
161.01210	5.7
161.02467	0.9
161.02971	0.8
162.99110	1.3
167.02261	1.3
169.03403	0.9
170.99637	9.0
173.01404	1.4
173.02966	2.8
177.00694	7.0
179.02197	1.0
185.01337	0.9
185.02925	1.9
187.04439	1.6
189.00726	5.9
195.01712	1.1
201.00679	2.6
203.02356	1.1
203.03999	0.9
207.01692	0.9
219.01746	15.8
220.02582	1.3
221.05206	0.9
233.03127	6.6
235.06729	0.9
237.02803	25.0
245.05106	2.3
251.04362	70.5
255.03882	2.9
265.07828	0.8
269.05405	20.0
270.05896	1.0
274.05862	1.2
281.05402	1.3
284.03058	0.9
293.05038	0.9
296.03763	0.8
303.09055	1.3
305.05487	0.8
307.07059	0.9
318.09589	1.1
319.08777	2.1
335.06219	0.9
337.07968	1.0
347.06473	0.9
349.09830	5.4
357.08493	1.1
365.07513	100.0
365.58005	1.0
366.07870	2.3
367.10855	0.9
376.06210	1.2
383.08554	36.0
384.09201	0.9
393.33957	0.8
406.10089	4.9
408.12653	1.5
410.11792	1.1
411.07965	3.2
423.08243	4.9
423.12997	0.7
425.09619	5.8
453.09076	1.2
465.00308	0.7
481.08417	4.9
539.09180	5.4
571.14850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05488	3.0
57.07067	8.6
58.06589	2.4
66.31290	0.8
67.05484	3.6
69.07067	1.8
70.06582	20.5
71.08632	2.8
71.61998	1.5
79.05485	2.0
81.07056	2.9
85.10164	1.1
88.07618	25.5
91.05461	2.7
93.07020	2.8
95.04990	2.0
95.08604	2.4
102.09164	17.4
105.03375	20.7
105.07018	2.3
107.08493	1.0
113.51019	0.9
119.08615	1.5
121.02777	0.9
128.70619	0.8
139.03838	1.0
145.10074	0.9
149.02336	13.2
149.05957	82.5
158.59612	1.1
181.06422	2.5
193.04935	13.0
196.59634	0.9
256.26309	56.0
291.19696	2.3
294.09036	1.0
297.07520	16.9
341.10147	64.9
342.10645	1.5
570.34174	100.0
571.35248	7.3
572.33667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80860	5.5
55.01863	13.4
55.05496	22.6
56.15434	6.1
61.46225	6.4
63.85208	5.9
67.05505	40.8
67.58193	6.2
69.07051	24.2
69.14517	6.2
71.01337	35.3
75.04497	7.6
79.05468	18.2
81.07042	69.4
83.04979	8.5
83.08613	12.7
85.02917	31.7
91.05463	25.9
93.07057	43.4
95.08597	100.0
97.10152	13.8
101.02365	77.8
105.07008	38.6
106.15316	6.4
107.08580	86.9
109.10140	80.4
111.11694	10.5
118.47359	6.8
119.08559	72.5
121.10145	57.9
123.11673	34.8
127.03915	20.1
131.08609	8.1
133.10135	57.2
134.96451	5.9
135.11696	65.0
137.13199	14.2
145.04936	76.9
145.10110	18.4
147.11670	34.1
149.13245	26.7
159.11707	17.8
161.13234	32.9
163.14795	22.0
168.04480	6.3
173.13309	12.6
175.14806	36.2
177.16414	27.1
179.17940	12.3
187.14793	13.7
189.16345	54.4
191.17969	19.8
201.16344	15.2
203.17882	35.2
205.19537	18.1
207.17451	41.1
215.17996	18.1
217.19528	60.2
229.19586	12.5
229.77281	8.1
231.21089	11.1
233.93529	7.1
271.24142	20.2
407.36472	39.5
425.37643	43.5
567.16656	7.3
569.19324	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	568.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	1.1
55.05511	0.8
57.03420	1.5
61.02914	2.1
67.05492	1.5
68.99780	1.3
69.03419	7.5
70.06586	4.1
71.04984	1.3
71.58108	1.1
72.08155	0.8
73.02906	1.8
79.05470	1.5
79.12840	0.6
81.03400	8.8
81.07034	2.7
83.04956	1.4
83.08608	0.7
84.04490	2.1
84.08118	1.5
85.02901	12.9
85.06522	1.3
86.06057	2.3
87.04440	2.6
87.53841	0.7
91.03957	1.7
91.05450	3.8
93.07029	1.9
94.06602	0.7
94.18971	0.6
95.04931	2.6
95.08591	1.0
97.02885	7.9
97.06522	0.7
98.06039	1.7
99.04431	2.0
104.07091	2.5
105.07040	1.7
107.04933	5.8
107.08572	2.0
109.02872	2.3
109.06483	1.3
109.10136	0.7
111.04464	1.1
112.07582	0.8
119.04929	2.6
119.08526	1.4
121.10112	1.8
123.04411	1.1
126.08121	0.7
127.03902	4.2
129.07043	0.8
130.04964	1.2
131.08549	1.2
133.02812	2.0
133.10077	3.2
135.02722	0.9
135.04395	22.1
136.06097	1.1
137.02319	100.0
138.02647	0.8
138.98428	1.9
145.04938	1.6
145.10152	0.7
147.02597	1.9
147.04372	2.5
147.11684	1.0
149.00536	3.3
149.09598	3.0
150.06790	3.7
151.02155	0.9
151.03893	1.0
153.03661	2.3
154.04988	1.1
161.02303	3.8
161.05905	0.8
163.03883	8.7
163.11183	0.7
166.97940	0.7
167.01630	1.6
167.10664	0.8
173.05966	0.8
173.13219	1.9
175.02083	4.5
175.14758	3.9
179.01640	2.5
181.03169	16.1
184.99059	0.9
186.95988	0.8
187.02170	1.2
191.10701	1.0
191.14294	2.4
193.03238	1.1
193.12244	2.9
194.03955	2.7
199.03873	2.5
201.00044	2.0
207.01068	4.8
207.02899	0.8
207.04781	2.6
208.06290	0.8
209.02689	2.4
209.11713	2.1
209.15338	3.8
213.05489	1.8
214.06255	3.9
215.01624	2.6
215.06969	0.8
218.00301	6.7
224.07372	1.7
227.12715	3.4
227.16458	0.7
229.03122	6.2
232.01859	1.6
233.02647	19.3
243.01076	1.3
244.01884	0.7
245.02635	9.5
247.04156	3.8
253.05281	7.6
254.05020	1.1
256.01883	0.9
257.02704	4.4
258.03546	1.4
259.11115	0.7
260.01352	5.2
267.15872	1.2
269.04453	1.9
270.07935	21.9
273.02219	1.0
274.28055	0.8
275.03711	22.1
284.01324	2.7
285.02115	2.2
285.16895	1.2
289.05170	2.1
299.03726	2.6
317.04761	32.5
319.06049	0.8
325.05173	1.9
331.06223	0.8
343.06381	5.9
360.08951	9.2
362.21735	1.2
370.22235	0.9
371.05762	4.7
388.23343	5.3
389.06833	32.9
406.09506	66.6
407.09766	2.0
448.10727	1.1
514.11658	1.3
550.28387	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	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25486	4.3
53.03930	5.8
55.05499	10.7
57.07065	18.1
67.05489	19.4
67.39840	4.0
69.07059	19.0
69.60414	3.7
69.60748	36.7
70.06590	8.1
79.05483	20.1
81.07047	41.9
83.08588	6.8
88.07661	4.0
91.05474	46.9
93.07030	51.1
95.04944	39.6
95.08588	36.6
96.53931	3.8
98.21403	10.3
105.07019	100.0
106.07877	7.5
107.08582	55.7
109.06506	10.6
109.10128	32.2
115.05413	4.9
117.07014	17.1
118.07783	5.0
119.08574	98.2
120.09364	9.3
120.11264	4.4
121.10123	40.6
123.08063	21.5
123.11726	9.2
125.09654	6.1
128.06183	9.9
129.06978	16.0
130.07777	11.5
131.08536	54.1
132.09319	12.5
133.10115	70.4
135.08051	4.3
135.11674	23.1
137.09604	7.7
138.10378	14.9
141.07002	6.0
142.07780	17.6
143.08554	45.2
144.09315	17.5
145.10109	95.2
146.10893	8.2
147.11671	29.2
149.09712	7.0
149.13164	5.4
153.88638	4.9
155.08557	13.3
156.09332	18.3
157.10104	53.4
158.10863	13.4
159.11678	47.8
160.12512	6.5
161.13290	8.7
163.11148	6.8
167.08627	8.3
169.10175	23.1
170.10909	11.1
170.32466	5.2
171.11665	44.5
172.12459	10.0
173.13272	28.8
175.14810	29.9
177.12773	8.8
177.16653	5.5
179.08569	8.3
180.09308	6.8
181.10124	20.8
182.10847	5.8
183.11659	26.6
185.13242	31.2
186.14021	8.7
187.14848	19.0
191.14278	13.6
192.15117	5.3
193.10066	5.9
193.15663	5.2
194.10889	8.0
195.11670	19.7
196.12415	13.0
197.13260	31.7
198.14003	13.0
199.14757	12.0
201.12839	4.6
201.16432	11.2
203.14259	7.2
206.10847	6.5
207.11737	11.6
209.13216	40.6
211.14796	22.9
213.16405	10.2
217.15865	12.9
219.11797	7.7
221.13264	7.6
222.13965	9.1
223.14833	14.5
224.15518	7.7
225.16444	15.0
227.17921	5.1
233.13031	6.5
235.14729	8.4
237.16266	14.7
241.19499	4.6
248.71344	4.8
249.16469	6.7
261.16263	9.7
262.25159	5.9
263.17834	8.4
283.26178	9.5
284.29465	18.5
311.29340	19.5
323.23676	12.9
338.25998	56.1
349.25104	7.0
415.29932	6.1
430.32376	18.2
476.36288	27.0
568.42664	35.3
568.56512	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
53.95981	5.1
55.05499	21.5
57.07067	8.6
67.05499	42.1
69.07073	29.6
69.91737	23.1
72.71250	4.1
77.03936	4.7
78.95963	5.0
79.05483	45.4
81.07058	58.3
83.08606	9.4
85.12205	4.7
91.05469	73.2
93.07030	78.6
95.04951	13.2
95.08592	64.4
97.06561	6.7
97.10150	5.5
98.21331	6.4
103.05462	8.2
105.07017	96.4
105.07719	5.7
107.04925	8.6
107.08581	95.0
109.06503	7.0
109.10143	48.8
117.07024	19.2
119.08567	100.0
121.06483	4.9
121.10126	69.2
123.11720	26.3
128.06192	7.5
129.06996	16.4
130.07776	6.6
131.08556	33.8
133.10112	75.9
135.08018	8.5
135.11679	67.7
141.07065	8.7
142.07771	13.0
143.08563	25.3
144.09291	6.9
145.10092	62.7
147.08057	4.8
147.11671	25.9
149.09647	5.8
149.13239	10.4
151.33818	4.6
155.08525	8.4
156.09328	11.0
157.10094	36.1
159.11632	38.6
161.09627	5.9
161.13216	12.8
165.07068	4.9
167.08612	5.8
169.10150	17.4
170.10783	5.6
171.11667	25.2
173.09669	4.9
173.13210	31.9
175.14824	37.2
179.08597	8.8
181.10136	9.9
182.10838	7.2
183.11667	18.7
185.13261	18.3
187.14902	22.6
193.15895	6.7
194.10873	5.4
195.11688	20.1
197.13264	20.4
199.14929	14.1
201.16290	10.6
207.11687	13.5
209.13200	21.9
211.14772	13.4
213.16426	10.4
219.11621	4.9
220.12332	5.2
221.13297	16.8
223.14835	13.2
225.16280	7.0
233.13203	10.4
233.15353	15.5
235.14662	5.7
237.12651	5.3
237.16383	10.6
239.17905	8.4
241.19458	6.9
245.13162	6.2
247.14758	5.3
249.16399	7.1
251.14067	5.4
255.21014	7.7
261.16232	6.8
273.16312	6.7
275.17764	7.2
277.19443	6.5
297.22089	7.0
331.24216	5.0
361.25052	5.5
401.61475	5.4
415.29901	5.9
549.40839	22.3
567.41663	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.05508	20.1
57.07056	8.0
59.04993	3.8
59.49974	2.4
65.03937	5.0
67.05497	37.6
69.03427	7.0
69.07056	27.8
69.31452	28.6
71.04979	4.2
71.08601	2.8
73.96658	2.8
79.05481	30.8
81.03439	2.6
81.07048	61.6
83.04977	5.6
83.08598	10.6
86.78735	2.4
91.05466	47.8
93.07031	74.4
95.04961	11.1
95.08593	57.9
97.06508	6.9
97.10175	4.2
103.05476	4.4
104.72504	2.4
105.07017	85.9
105.07735	4.5
107.04893	3.1
107.08575	80.0
109.06504	11.1
109.10130	51.1
111.08061	3.0
115.05421	5.9
117.07017	24.0
119.06061	3.3
119.08566	100.0
119.09417	5.7
121.06495	5.9
121.10125	88.4
123.04343	3.3
123.08010	8.0
123.11689	23.3
128.06232	8.9
128.10944	2.5
129.06999	14.1
129.07841	2.7
130.07747	8.1
131.08551	41.2
133.10109	89.2
135.08035	10.4
135.11679	59.4
137.09621	12.7
139.11147	3.2
141.07008	7.8
142.07785	14.4
143.08539	37.1
144.09317	5.4
145.10109	78.8
147.08093	4.3
147.11655	28.9
149.09619	8.7
149.13206	12.8
151.11127	3.9
155.08549	18.4
156.09279	13.4
157.10110	55.0
158.10844	5.8
159.08049	6.0
159.11668	40.0
161.09589	8.6
161.13263	14.4
163.11183	3.8
163.14807	3.7
165.06972	3.6
166.07729	3.1
167.08546	6.4
167.70824	2.7
168.09271	4.2
169.10110	29.3
170.10837	6.3
171.11665	35.0
172.12363	3.6
173.13257	39.6
175.11227	4.3
175.14790	39.9
176.15050	3.6
177.16408	3.0
179.08540	10.6
180.09296	7.4
181.10094	13.0
182.10837	10.4
183.11664	25.5
184.12517	6.5
185.09700	3.2
185.13254	18.8
187.11253	6.1
187.14760	25.6
189.12759	3.3
189.16331	8.4
191.14240	6.5
192.09351	5.2
193.10059	12.7
193.15904	2.8
194.10844	9.1
195.11659	25.7
196.12457	7.9
197.13203	23.8
198.13979	4.6
199.11166	4.8
199.14749	20.0
201.16389	15.5
205.15843	2.9
206.10965	5.0
207.11635	17.4
208.12515	7.3
209.13213	22.9
211.11391	3.2
211.14769	18.4
213.12758	3.5
213.16354	12.8
215.14392	3.1
215.17941	4.1
217.10143	4.4
217.15862	3.8
219.11760	6.1
219.17354	4.1
220.12424	5.2
221.13185	18.4
222.14020	5.7
223.14832	16.5
225.12796	5.0
225.16379	10.0
227.14276	3.5
227.17984	4.4
231.11737	7.1
232.12347	4.0
233.13168	8.0
234.13901	3.6
235.14771	15.3
237.12698	5.9
237.16428	11.7
239.14272	3.6
239.18011	6.4
241.15909	3.0
241.19417	6.0
243.21169	4.5
245.13087	6.1
246.14006	2.9
247.14825	10.9
249.16379	6.2
251.14503	3.7
251.17950	6.4
253.19633	3.4
255.17265	3.4
257.18887	6.2
259.14819	7.3
260.15564	5.5
261.16425	10.3
263.17856	11.1
265.19516	9.9
267.17416	3.0
267.21091	8.0
273.16321	4.8
275.17917	10.5
276.18564	2.9
277.19363	5.5
279.17581	4.6
283.20541	8.2
285.21896	4.5
287.17892	5.2
289.19403	6.0
291.20950	5.8
293.19022	2.8
301.19556	3.6
303.21051	3.9
307.20425	5.6
309.22086	3.3
313.19556	2.8
315.21213	4.0
317.22592	4.4
331.24234	4.2
333.22061	5.4
335.23651	4.2
341.22662	2.9
343.24417	2.7
347.23383	3.8
353.62189	2.8
355.24176	3.2
361.25220	7.5
373.25110	4.0
375.26877	5.1
384.27405	2.6
411.30515	4.0
413.28445	4.1
427.29535	5.2
429.31555	9.2
445.31149	5.5
469.34262	3.3
511.35126	3.7
531.39825	4.2
539.42725	3.1
549.40790	33.5
567.41803	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01859	0.3
58.04121	0.2
65.03924	0.7
65.90867	0.2
67.05486	0.2
69.03413	0.9
70.06560	0.2
73.10583	0.2
75.65025	0.2
81.03416	0.4
85.02884	1.5
86.06046	0.6
87.04449	1.5
91.05468	3.9
93.03389	0.4
97.02879	6.7
97.88259	0.2
100.11210	0.3
104.07108	2.9
105.07420	0.3
109.02856	0.8
119.04059	0.3
119.04927	8.9
127.03899	100.0
128.04271	1.1
128.06258	0.2
131.04906	0.7
131.08546	0.3
132.27232	0.2
137.05957	0.3
144.05782	0.2
145.02805	0.2
145.06433	0.2
147.04390	36.7
148.04742	0.7
159.04323	0.6
159.08011	1.4
159.19778	0.3
167.03409	0.6
169.06465	0.5
171.08023	0.2
173.06017	0.3
177.05473	1.2
185.05974	0.8
187.07457	0.7
195.07979	0.2
197.05945	0.8
215.06895	1.2
243.06502	2.4
261.07498	1.5
279.08578	0.2
283.05951	0.3
289.09158	2.5
315.10391	0.3
317.06354	0.5
318.06985	0.6
319.07077	0.9
380.15482	0.3
567.16852	2.3
567.42279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47039	0.4
53.03939	3.4
55.01865	2.5
57.03432	2.1
61.02923	2.6
62.84501	0.4
65.03934	2.1
66.04702	1.1
67.05480	0.9
68.25585	0.3
68.99776	1.5
69.03419	16.1
71.01338	0.4
71.04987	1.7
71.09753	1.0
71.67068	0.3
73.02898	2.9
78.04690	0.5
79.05486	4.2
81.03402	14.9
81.07022	1.1
83.01354	0.4
85.02888	22.8
87.00816	8.4
87.04467	0.4
91.03960	0.5
91.05468	3.7
93.03353	0.3
94.04166	1.5
94.27260	0.4
95.04936	1.6
97.02873	7.3
99.04436	5.8
103.03939	0.4
103.05424	0.4
105.01846	5.5
105.04488	0.3
105.07028	0.5
107.04917	1.1
108.05715	2.3
109.02857	14.5
109.06498	13.0
111.04414	1.7
115.03903	0.6
117.01817	1.5
119.04939	2.1
121.02856	1.1
121.06464	0.7
123.04441	0.5
123.07997	0.4
124.05209	0.5
125.05993	0.8
127.03895	21.2
129.01799	2.4
133.06487	0.6
135.04370	1.4
137.05948	12.3
138.06720	0.8
139.03877	46.5
139.07498	3.0
145.04924	6.3
147.02855	1.8
147.04398	3.3
149.05959	0.7
151.07556	0.8
153.05414	0.5
153.09099	1.8
155.06995	6.0
159.02863	7.9
161.05965	0.4
162.50406	0.4
163.03917	0.6
165.05464	4.5
165.09111	1.6
167.07013	100.0
168.07353	1.1
175.07492	0.4
177.04019	0.6
177.05457	0.4
178.06239	0.4
179.06978	2.8
181.05061	1.7
181.08572	15.5
187.05989	0.6
189.03926	0.5
191.06978	1.6
193.08603	5.2
205.08626	2.0
207.06526	0.8
209.08063	4.8
213.03922	1.1
223.09665	1.0
231.04860	3.6
233.08051	1.7
247.05984	0.6
247.09525	0.8
275.09131	3.5
289.10602	1.4
319.11697	16.9
331.11694	3.3
343.11667	2.3
345.09637	0.5
361.12775	3.6
379.10263	2.3
385.12482	1.9
387.09015	1.6
397.11246	1.1
405.11636	0.4
411.12738	0.4
415.50128	0.4
427.13812	2.9
513.13574	0.5
531.14880	0.8
567.16541	1.5
580.00812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96045	0.3
57.03410	0.3
61.02913	0.4
64.56623	0.3
65.03935	1.9
67.05476	0.4
67.12881	0.3
69.03419	2.0
69.31749	0.4
69.32093	3.7
81.03405	0.9
85.02879	2.4
87.04459	0.6
91.05469	2.6
92.82965	0.3
93.03393	1.8
97.02877	28.9
99.04440	0.4
107.04932	0.7
109.02855	1.3
111.04432	0.5
115.03915	0.6
119.04934	5.8
121.02837	1.0
125.02311	0.4
127.03896	100.0
128.04247	0.6
131.04904	0.8
131.08546	1.8
133.04965	0.6
133.38326	0.3
139.03867	0.6
141.06976	1.4
144.05682	1.2
144.76044	0.3
145.04936	0.4
147.04390	28.2
149.02295	1.6
153.06888	0.5
157.06483	0.7
158.07172	0.8
159.08029	7.9
167.03378	7.0
167.04683	0.7
169.06418	2.6
169.07573	0.4
171.08031	0.8
177.05453	0.6
185.05919	0.7
187.07500	4.2
197.05930	2.7
215.06984	6.4
224.09979	0.3
229.05034	0.4
243.06555	1.4
261.07532	14.2
279.08701	0.8
289.09113	3.0
303.04947	4.5
315.04968	0.8
345.05896	0.7
369.06067	0.4
381.05933	0.3
399.07086	0.8
435.09280	1.2
458.35172	0.3
501.30484	0.4
567.21161	0.4
567.34222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1336
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01848	1.9
57.03429	5.8
61.02895	0.9
63.52569	0.7
67.05457	0.7
68.99803	1.3
69.03420	21.0
69.48296	6.8
70.04153	0.6
71.94881	0.9
72.85780	0.7
73.02911	4.7
81.03405	1.4
85.02897	10.7
87.04456	8.8
87.43459	0.7
97.02880	17.4
99.04424	4.3
109.02851	1.2
111.00792	0.8
111.04430	1.0
115.03923	11.3
117.05450	1.0
121.02835	1.5
127.03890	2.5
133.04956	9.4
135.04393	1.2
137.02319	7.5
139.03842	1.3
149.04355	1.6
153.01799	4.4
157.04955	2.0
163.03891	1.7
165.01772	2.0
165.05489	0.8
175.04050	0.9
177.05457	1.1
183.02911	1.2
191.03278	1.0
201.05354	1.1
211.06004	1.3
229.04913	3.7
229.06973	1.6
247.08141	1.1
257.04440	1.8
274.04535	1.7
285.03888	2.2
287.05661	0.8
299.05463	1.2
301.06946	1.0
303.04953	100.0
304.05341	1.2
305.63058	0.7
315.04944	16.3
316.05701	1.5
327.04919	4.2
329.06534	1.6
339.04858	1.3
341.06491	4.5
342.67252	0.7
345.06003	13.2
345.09821	0.9
353.06415	3.5
357.05920	1.8
369.06003	12.3
381.05975	6.0
399.07062	15.4
411.06857	1.3
417.08127	6.2
435.09183	21.6
441.08020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1491
Annotation	Isoporiolide
Peak:m/z	Relative Intensity
51.51643	0.5
53.03933	0.5
65.03905	0.4
67.05472	1.0
68.99784	0.8
69.03406	1.0
69.07034	0.9
69.57243	3.5
70.06568	0.6
77.91689	0.4
79.01855	0.8
79.05466	1.4
81.03408	1.4
81.07030	0.6
85.02876	0.5
91.05450	3.5
93.07014	0.6
95.04970	1.0
95.08544	0.6
96.63750	0.4
97.02884	1.6
97.06510	0.7
98.21425	0.7
103.05403	0.5
105.03359	0.5
105.07024	0.8
107.01303	1.8
107.04944	2.7
107.08540	0.6
109.06523	0.8
109.10160	0.6
119.01305	0.5
119.04954	1.8
119.08533	0.5
121.06530	0.6
123.04436	0.8
125.66435	0.4
127.03889	2.1
131.04927	1.0
131.08572	0.6
132.05698	0.5
133.02853	1.4
133.06493	1.3
134.03609	0.5
135.00716	0.6
135.04404	1.1
137.02301	0.6
137.05959	4.1
139.03888	1.1
145.10138	0.5
147.04391	1.3
149.02298	0.7
149.05969	0.7
151.03928	1.2
151.07532	1.4
153.01837	0.9
153.05446	0.9
155.04886	0.6
155.07030	0.6
159.08090	0.5
160.05202	0.6
161.02357	0.6
161.05951	1.2
163.00229	3.4
163.03891	3.2
164.04649	1.2
165.05467	5.5
166.06178	0.7
167.07036	7.7
175.07480	0.5
177.05461	1.6
178.06223	7.6
179.03391	0.8
179.06902	2.1
180.07790	7.0
181.01286	2.8
181.04936	1.1
181.08508	1.1
183.04453	0.5
185.06021	0.5
187.03969	0.5
191.03384	0.9
191.06981	2.4
191.85692	0.5
192.07803	0.8
193.04953	1.8
194.05769	0.8
194.88887	0.5
199.03831	0.5
199.07428	0.5
203.07047	0.5
205.04935	3.1
206.05699	1.6
207.06477	1.1
211.03860	0.5
213.05411	1.0
214.06209	0.7
224.04648	0.6
224.06778	0.9
225.05446	0.8
229.04965	1.4
229.08702	0.6
230.05565	0.5
239.03246	0.5
241.04999	1.4
242.05818	0.9
243.06525	1.0
253.04892	0.6
254.02460	0.5
255.02904	1.7
255.06476	0.6
256.03769	0.7
256.07318	0.7
257.04486	1.7
257.08102	1.1
258.05099	0.8
268.03851	0.8
268.07095	0.8
269.04391	1.9
269.07883	0.6
270.05222	1.1
271.06158	1.1
272.06842	0.5
275.71820	0.5
281.04587	1.1
282.01440	0.6
282.05212	0.7
283.02466	0.5
283.06009	1.4
284.06726	3.9
285.04004	1.4
285.07611	2.4
287.05594	1.0
295.05930	0.5
296.06714	2.6
297.04007	1.6
297.07425	0.9
298.04626	1.6
299.02060	1.0
299.05597	2.4
299.08997	0.9
300.02887	0.5
300.06366	0.9
300.09671	0.8
309.04349	0.5
311.05576	1.2
312.06070	3.1
313.03369	2.2
313.07074	2.9
314.04202	1.3
314.07700	1.0
315.04977	5.5
315.08627	2.3
319.11621	0.7
323.05527	0.8
325.03442	2.4
325.06992	0.6
327.04999	1.1
327.08527	1.0
328.05847	1.2
328.09427	0.8
329.06696	1.4
330.07291	3.8
331.08078	1.7
339.04932	1.1
341.06540	7.9
343.08188	2.8
344.08920	3.4
345.09668	5.0
355.07971	2.7
385.06894	0.5
405.13382	0.7
417.05725	0.7
420.08270	1.0
431.07574	0.9
433.05365	0.9
448.07629	0.6
460.11606	0.7
463.10382	1.0
465.11700	1.3
475.06039	0.5
476.07056	1.0
477.11740	1.8
479.13443	0.7
491.09247	5.0
492.10080	0.5
493.11160	11.4
501.08298	1.2
504.06851	0.7
505.11279	1.8
507.13022	1.1
508.13626	1.6
517.11304	0.6
519.09155	12.9
520.09296	0.5
521.14380	4.8
523.15936	33.6
524.16315	1.2
533.10571	1.0
534.11603	1.8
537.10138	0.8
549.13922	13.0
549.21759	1.0
567.14893	100.0
568.14954	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	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.05511	13.6
56.44080	2.7
57.07074	6.7
65.03941	2.9
67.05499	31.3
69.07063	15.2
69.32932	2.3
69.50815	2.3
69.69108	21.8
75.29017	2.4
75.97196	2.7
79.05477	20.5
81.07047	32.3
83.08607	7.7
91.05468	34.6
93.07031	34.1
95.04977	9.3
95.08588	28.9
97.06541	4.0
103.05425	3.8
105.06334	5.2
105.07022	74.6
107.08578	41.0
109.06502	8.1
109.10154	39.5
111.08080	2.6
115.05449	3.0
117.07018	17.2
119.08572	100.0
120.08855	2.7
121.10127	55.1
123.08061	5.9
123.11716	14.1
128.06206	10.9
129.06995	18.5
130.07767	4.0
131.08554	29.9
133.10123	48.6
135.08009	6.5
135.11681	33.4
141.06952	5.9
142.07770	22.9
143.08542	31.7
144.09283	3.2
145.10114	43.0
147.11676	19.3
149.09552	5.4
154.07773	6.2
155.08530	20.3
156.09303	12.1
157.10112	58.1
158.10854	3.1
159.08002	4.2
159.11717	22.0
161.09619	6.0
161.13246	11.8
165.06989	3.5
166.07742	3.1
167.08530	9.0
167.10696	6.8
168.09357	7.7
169.10135	25.7
170.10873	5.0
171.11696	24.2
172.12479	4.7
173.09610	9.5
173.13235	18.3
175.11235	4.9
175.14821	28.9
179.08551	8.2
180.09314	5.3
181.10060	15.5
182.10925	12.1
183.11676	25.8
185.09642	4.6
185.13225	13.6
187.11140	3.1
187.14754	12.5
189.12740	7.1
191.08508	3.1
192.09326	3.2
193.10088	14.2
194.10870	10.2
195.11662	19.9
196.12408	4.2
197.09663	3.1
197.13306	27.8
199.11177	7.8
199.14825	5.2
201.12616	4.7
201.16331	8.6
203.14098	3.2
205.10062	4.4
206.10922	7.2
207.11649	9.9
208.12485	7.1
209.13167	13.8
211.11195	3.1
211.14761	6.8
213.12708	4.1
213.16360	16.8
215.14252	5.7
219.11627	5.6
220.12518	3.9
221.13239	8.8
222.13934	2.9
223.11183	3.3
223.14680	13.8
225.12697	4.1
225.16408	4.7
231.11440	4.7
232.12602	3.7
233.13222	5.9
233.15384	4.2
235.14806	4.6
237.16452	5.9
238.17079	3.2
239.17889	5.2
243.11552	3.0
244.12437	4.2
245.13210	3.0
246.14029	2.8
247.14781	6.7
249.12604	4.6
249.16370	4.7
251.14424	3.6
253.15756	3.4
253.19609	4.1
255.17458	3.6
257.13058	3.4
261.16370	3.0
263.17990	4.7
270.14233	2.9
273.16193	3.2
273.18539	26.8
279.21005	8.0
287.17725	2.9
299.17004	3.3
299.20081	43.2
345.22095	4.0
345.25955	3.5
351.23062	4.5
419.29437	2.6
427.29626	3.6
441.69492	4.1
443.29462	5.8
473.34189	9.5
565.40344	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02906	5.1
55.05498	8.0
57.07061	9.2
67.05492	38.9
69.03400	7.2
69.07051	21.6
71.30842	14.5
75.03310	5.0
79.05463	15.9
81.07058	34.8
88.60515	6.2
91.05468	34.4
93.07019	42.0
95.04951	13.7
95.08575	41.0
105.07014	71.5
107.08573	48.3
109.10136	49.0
115.05492	10.0
117.06989	13.5
119.07768	7.4
119.08572	100.0
121.10126	62.9
123.08061	7.5
123.11736	15.9
128.06160	7.8
129.06985	14.0
130.07803	6.4
131.08578	38.3
133.10117	51.2
135.08052	8.5
135.11652	32.6
136.38388	5.1
137.09470	5.4
141.06967	15.2
142.07765	22.9
143.08543	36.0
145.10080	41.0
147.11682	22.5
149.09560	7.2
155.08595	15.3
156.09309	15.6
157.10110	54.6
159.08057	6.6
159.11685	24.1
161.09535	6.1
161.13206	11.5
165.07014	6.8
167.08600	9.1
168.09219	5.5
169.10106	22.1
171.11708	28.0
173.09532	8.6
173.13245	24.5
175.14838	37.1
179.08507	11.0
181.10106	16.1
182.10838	16.3
183.11731	29.3
185.09599	6.6
185.13203	13.4
187.14810	14.6
193.10159	13.6
194.10918	10.2
195.11649	19.2
197.13254	36.3
199.11240	7.4
199.14922	6.4
201.16321	9.1
205.09998	6.9
207.11668	15.8
208.12503	7.6
209.13240	21.9
211.11220	7.6
211.14882	8.9
213.16312	10.6
219.11696	10.5
221.13261	12.8
223.14720	16.1
233.13185	7.2
239.17961	7.3
247.14737	5.9
258.13626	7.0
273.18527	26.6
279.20993	9.6
287.14551	5.8
287.17773	7.8
299.20023	36.5
443.29132	13.7
473.33942	9.2
565.40491	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03935	2.0
55.01865	1.1
55.05499	1.6
55.45651	0.5
57.03428	1.8
61.02917	1.0
66.04729	0.9
67.05503	4.0
68.05815	0.4
68.99784	0.5
69.03426	6.3
69.07054	2.0
71.04982	0.9
71.59164	0.5
71.59536	0.7
73.02911	0.6
77.03914	0.9
79.05482	7.0
79.43221	0.4
80.05784	0.4
81.03414	5.5
81.07049	4.1
83.04994	0.7
83.08609	0.9
85.02895	8.4
87.00814	1.7
91.05463	3.5
92.05793	0.4
93.07049	2.4
94.04189	1.0
95.04937	3.1
95.08590	2.0
95.09161	0.4
96.08952	0.5
97.02854	2.9
97.06522	2.2
97.10143	0.8
99.04457	2.0
103.05442	0.8
105.01856	1.4
105.07023	3.2
107.04941	12.0
107.08563	2.6
108.05750	1.0
109.02869	5.3
109.06507	11.6
109.10159	1.6
117.01821	0.4
117.07005	0.8
119.08569	1.8
121.06498	1.3
121.10126	0.8
122.03637	0.6
123.04423	1.8
123.08065	0.7
123.11568	0.5
124.05144	0.5
125.06000	3.4
125.09655	0.5
127.03902	6.1
129.01768	0.6
131.04977	0.6
131.08524	0.9
133.06544	0.7
133.10101	1.7
135.04454	0.9
135.05508	1.4
135.08040	1.9
135.11705	0.6
137.05962	95.5
138.06316	1.2
139.03952	0.5
139.07512	2.0
145.04916	1.7
145.10074	1.2
146.54527	0.5
147.11598	0.6
149.05971	1.1
149.09622	1.1
151.07555	0.8
153.09096	0.8
155.07018	4.8
159.02832	2.2
159.11621	0.8
161.06009	0.8
163.07527	9.8
163.11169	0.5
165.09082	1.1
167.07021	100.0
168.07397	1.0
171.11684	0.5
173.11703	0.5
177.05627	0.5
179.06984	1.9
181.08572	6.7
187.07576	0.6
189.11090	0.7
191.03465	0.5
193.08574	3.9
203.06975	0.5
205.08618	0.5
209.08003	2.2
219.02884	0.9
231.04907	1.0
233.07959	0.6
257.19025	0.5
275.09048	0.7
275.19904	1.2
276.20291	1.4
301.06793	0.5
315.04971	1.1
317.13773	23.2
329.14047	0.9
330.06940	0.5
341.13879	0.5
345.09726	2.1
349.23706	1.1
350.24078	1.1
359.14755	1.4
362.18719	0.5
379.10135	1.3
397.11346	1.3
417.05457	0.5
425.16360	0.6
441.60818	0.5
565.09778	4.4
565.18768	2.9
565.29309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1545
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03436	11.1
59.04980	1.8
66.60278	1.7
67.05473	2.2
69.03422	31.2
70.21865	7.5
71.04985	2.1
73.02889	3.0
75.04461	8.4
81.03398	2.9
83.04973	3.9
85.02894	18.0
85.37659	1.7
86.09636	1.7
87.04463	14.8
95.04969	2.9
97.02885	15.2
97.06516	2.9
98.20882	2.2
106.63717	1.6
107.04959	3.1
107.08582	2.1
109.02823	2.7
111.04426	4.0
115.03909	13.1
121.02859	14.0
123.04418	2.3
127.03925	3.3
131.04903	3.0
133.04951	15.4
137.02342	1.7
137.05957	2.5
145.02792	10.7
146.03203	2.1
147.04413	7.3
149.05786	2.2
151.03864	2.4
153.01862	3.7
163.03816	2.6
167.07008	3.2
177.05460	20.5
178.05861	12.0
207.02699	2.0
225.07524	1.8
245.04262	2.2
258.05161	2.6
259.06033	1.8
283.06018	3.3
285.03763	2.2
286.04565	2.1
287.05460	100.0
297.07452	3.1
299.05524	20.2
300.06116	4.6
311.05490	6.3
313.07144	4.4
317.06415	14.5
323.05347	2.4
325.06985	9.4
329.06500	31.4
331.08081	4.0
341.06619	1.9
351.08792	2.7
353.06497	22.4
379.07852	10.0
397.09103	25.3
415.10123	11.3
433.11218	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1548
Annotation	Apiin
Peak:m/z	Relative Intensity
55.01863	0.2
56.05013	0.2
57.03423	1.0
59.04983	0.3
61.02905	0.9
62.51890	0.2
65.03944	0.2
68.99777	0.2
69.03419	3.3
69.53460	1.5
70.06574	0.2
73.02898	0.3
79.05470	0.3
81.03405	0.2
84.04475	0.2
84.08125	0.3
85.02892	2.7
87.04450	1.9
91.03357	0.1
91.03926	0.5
91.05453	0.2
97.02876	2.4
105.03429	0.2
107.04966	0.3
107.42689	0.2
109.02836	0.3
111.04422	0.2
115.03902	1.9
120.88568	0.2
121.02055	0.3
121.02850	3.4
127.03864	0.4
133.02802	0.4
133.04938	1.7
137.02316	2.9
139.03912	0.2
141.06857	0.3
143.79868	0.2
145.02739	0.2
147.04340	0.4
149.02336	1.4
151.03896	0.2
153.01814	0.4
153.05469	0.3
156.17949	0.2
163.03813	0.3
167.03369	0.4
167.06964	0.3
168.07840	0.3
169.06477	0.5
172.08412	0.2
177.05473	0.5
181.06496	0.4
187.07484	0.2
195.02885	0.2
195.06470	0.2
197.05949	1.6
201.05421	0.5
203.03198	0.2
215.06989	1.2
225.05486	1.0
229.04973	0.4
235.09332	0.2
242.05786	0.5
243.06461	0.4
253.04893	0.3
257.04620	0.3
271.05969	100.0
272.06314	2.0
283.05930	0.4
302.04092	0.3
313.07050	0.6
317.06540	2.6
433.11292	1.4
537.32220	0.2
565.09381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47753	0.5
52.75318	0.5
53.03928	2.0
55.01859	1.4
61.03289	0.5
65.03932	1.1
66.48183	0.6
67.05485	2.4
68.99789	3.7
69.03433	3.3
69.31116	5.7
71.94735	0.5
73.02892	0.9
77.03914	0.6
79.05466	1.6
81.03408	6.2
81.07030	2.1
83.04969	2.6
83.88982	0.5
85.02897	5.7
87.00806	2.2
87.04463	0.7
91.05460	4.0
93.07019	1.3
95.04956	4.0
95.08554	0.7
95.30743	0.5
97.02886	2.7
97.06505	1.3
98.21495	0.9
99.04440	1.7
101.89874	0.6
103.05450	1.4
104.73462	0.6
105.01825	1.2
107.04937	2.1
109.02864	5.1
109.06506	1.2
110.50436	0.6
119.06501	0.6
121.06499	12.9
123.04416	42.7
123.08006	0.6
125.05986	0.7
127.03899	4.7
131.04912	0.7
133.06398	0.5
135.04419	2.9
135.08026	0.7
137.05989	2.5
139.03911	1.8
139.07501	6.2
141.05466	1.1
145.04953	1.4
147.04395	13.4
149.02313	0.6
149.05965	23.4
151.03896	59.1
151.07520	100.0
152.04234	0.9
152.07874	1.1
153.01770	3.1
153.05449	3.8
155.07021	0.8
159.02875	2.0
161.05949	1.0
163.03908	4.0
163.07518	2.4
164.08307	1.6
165.09045	1.0
167.07022	13.6
169.04936	1.6
171.06488	0.9
177.05453	1.9
177.09123	2.0
179.03389	11.0
179.04895	1.1
179.07002	1.8
180.58807	0.5
181.04854	1.1
181.07321	0.8
182.05725	2.4
183.06512	17.5
191.07010	2.5
192.07774	4.5
193.08577	2.0
205.08615	1.7
207.06509	1.1
229.08435	1.1
257.08215	0.8
271.09753	1.2
285.07434	2.6
289.10632	3.6
299.09213	2.6
303.04953	0.6
317.10153	78.6
318.10706	1.6
399.39417	0.5
521.16791	1.0
533.10889	0.7
565.16333	5.5
565.25232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1182
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.34858	0.3
57.03424	0.9
61.02935	0.3
64.65581	0.3
64.85985	0.3
68.99783	0.4
69.03399	1.0
69.67570	1.6
69.67982	1.0
70.06588	0.4
81.03394	0.9
85.02882	1.4
95.04938	0.4
97.02855	1.0
109.02852	0.7
117.03364	0.4
127.03899	0.9
135.04388	0.7
137.02333	0.9
137.05922	0.6
139.03940	0.5
145.02843	0.6
147.04303	0.4
150.03111	1.3
153.01797	8.4
155.04861	0.7
159.04369	0.4
163.03905	0.5
167.04825	0.4
170.02113	0.6
173.06012	0.7
177.05457	1.0
179.03354	0.8
183.04398	0.7
185.06035	0.5
187.03882	0.5
191.03372	1.9
192.08040	0.4
193.04935	0.5
197.10727	0.4
201.05443	3.2
203.03294	1.0
204.04163	0.9
205.04941	1.2
209.04431	0.4
211.03851	0.3
213.05429	1.6
215.07155	0.4
222.42842	0.3
224.09514	0.6
225.10173	1.7
228.04166	0.8
229.04941	9.0
231.02853	0.7
233.04346	0.7
237.10182	0.7
241.04904	0.9
243.06490	0.9
247.05983	0.4
249.10193	0.5
251.08182	0.9
253.09645	2.0
256.03638	0.6
257.04431	10.9
258.04974	0.4
261.07687	0.8
265.09763	1.2
266.10425	1.8
267.11316	1.2
268.11954	0.4
271.06018	5.6
274.04626	0.4
281.09158	1.7
284.03098	1.1
285.03918	10.2
293.09082	1.1
294.09882	2.1
295.10703	1.2
296.11539	0.6
299.05447	1.5
302.04129	3.8
303.04901	0.6
312.10986	0.5
317.06522	100.0
318.06927	2.0
321.08670	0.5
330.12045	0.5
339.09726	2.2
340.10318	1.4
390.14142	0.4
447.14130	0.3
448.17123	0.4
469.12186	1.8
471.13992	0.7
487.13440	2.1
497.11658	0.6
515.05933	0.4
515.12903	5.3
533.13599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47480	0.5
53.03941	0.8
55.01877	0.7
57.03421	0.7
67.05499	0.6
68.99776	0.7
69.03410	2.2
69.07035	1.0
69.49040	2.0
69.49464	3.4
70.06574	0.8
72.35979	0.6
77.94243	0.6
79.05455	1.0
81.03398	2.2
81.07008	0.5
85.02892	4.0
87.00805	1.6
89.31859	0.5
91.05450	1.2
95.04935	0.8
97.02846	1.9
99.04417	0.9
105.01841	0.9
105.07040	0.9
107.04929	1.1
109.02863	1.5
109.10162	0.6
119.04921	1.2
119.08566	0.8
121.02789	0.6
121.06490	0.8
123.04371	1.0
127.03907	2.6
135.04353	0.7
137.02242	0.7
137.05946	1.7
145.02797	1.2
147.04321	1.3
148.05171	1.8
149.02299	1.1
149.05820	0.7
150.03113	2.8
151.03905	0.6
151.07500	1.4
153.01813	10.2
159.02841	1.6
163.03883	1.5
167.07018	2.0
173.06046	0.7
177.01756	0.7
177.05444	2.6
178.06195	2.1
179.07014	1.8
181.04839	0.8
187.07564	0.7
191.03320	0.7
194.09399	1.7
201.05426	1.5
205.04817	0.7
213.05380	1.0
215.06966	0.7
217.04843	0.8
228.04155	2.1
229.04892	6.9
241.04517	0.6
243.06491	1.8
245.81491	0.6
253.04886	0.9
256.03656	1.6
257.04449	5.1
261.07538	0.7
271.05988	7.6
285.03870	5.0
294.09497	0.6
299.05414	2.6
301.03336	0.8
302.04181	4.1
315.05902	0.8
315.08963	0.9
316.08829	2.0
317.06497	100.0
318.06934	2.1
399.08508	2.0
425.06644	0.7
427.08093	12.4
441.10046	0.7
457.13138	2.7
471.07178	0.7
475.14175	1.6
498.99377	1.0
499.06552	15.3
514.08405	0.8
529.11578	3.4
547.12274	48.5
548.12689	1.1
565.13257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89253	5.8
55.01851	5.6
55.05506	26.3
57.03410	13.7
67.05494	69.7
69.03421	11.2
69.07053	34.6
71.04961	5.8
78.17307	4.8
79.05479	39.4
81.03403	22.1
81.07042	82.3
81.07494	9.0
83.04954	11.4
83.08586	17.7
85.02884	12.0
85.06522	6.3
91.05470	43.4
93.07028	63.5
95.04942	19.4
95.08595	28.1
97.02876	12.0
97.06512	40.7
98.20657	10.6
99.08047	6.3
105.07007	35.5
107.04939	10.3
107.08553	36.2
109.06502	7.8
109.10124	15.4
111.08107	13.9
117.07001	22.8
119.08563	26.9
121.06450	6.7
121.10115	23.9
123.11729	6.6
127.03910	8.2
131.08545	17.2
133.10094	24.7
135.11685	25.5
137.02277	10.5
137.05930	48.9
145.10176	8.5
147.11687	12.6
149.09608	17.9
149.13254	26.4
151.81963	4.8
157.10150	9.2
159.11696	29.3
161.13231	10.6
163.11157	13.0
176.14383	8.7
177.12701	22.1
195.13811	10.4
235.09665	12.3
255.15982	42.7
269.17462	100.0
275.20013	28.7
293.76572	6.3
296.10739	5.7
345.09769	7.6
349.23566	38.6
367.24701	11.2
385.09161	7.1
385.16492	9.5
493.21353	7.3
565.09283	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	564.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
56.05002	1.5
67.05502	3.4
69.03410	3.8
70.06572	3.6
71.62192	2.5
79.05497	1.5
81.03397	1.4
83.04963	4.2
84.08122	1.4
85.02895	3.8
87.04464	1.2
91.05449	3.3
95.04969	9.7
95.08595	4.0
97.02873	4.4
97.06504	3.7
98.09668	1.1
103.05457	1.2
105.07008	2.4
107.04963	1.3
107.08598	1.2
109.02863	2.4
111.04420	11.0
117.07040	2.5
119.04860	1.7
119.08569	22.1
121.02872	3.1
121.06469	1.5
123.04374	1.8
123.08047	4.9
127.03905	13.0
127.06685	1.0
129.06979	3.0
131.08473	2.0
133.10104	1.5
135.07990	1.2
137.05969	2.6
139.03938	1.2
139.07526	3.9
141.01791	2.6
143.08531	2.3
145.02834	1.6
145.10054	2.4
147.04402	4.8
147.08035	8.3
147.11662	1.6
149.05934	3.1
155.08379	1.2
156.09344	3.7
159.11659	1.2
161.09557	1.3
163.11118	1.1
171.11714	6.1
173.09628	2.9
175.07532	80.0
176.07915	1.9
177.05487	3.7
184.08798	1.3
187.11127	3.0
189.12747	1.3
191.10606	2.3
197.09592	2.2
199.11122	9.3
203.06778	1.5
205.12227	1.2
207.02765	1.5
215.10602	8.0
217.12285	5.2
219.10152	9.9
233.11705	21.5
243.10187	2.9
249.11266	2.1
261.11206	100.0
262.11627	1.5
279.12231	9.4
317.06488	10.8
335.14804	16.4
353.15958	16.1
415.06158	1.5
416.35193	1.4
564.21143	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	564.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.2
55.05500	35.8
57.03422	7.7
60.15073	4.5
61.02913	6.2
67.05483	40.5
67.32272	4.9
69.03403	11.5
69.07069	15.5
70.05669	19.6
70.06089	9.3
70.06568	7.1
75.22629	4.7
79.05487	59.0
80.83526	4.6
81.03395	13.3
81.07032	31.8
83.04981	11.0
83.08594	22.5
85.02904	6.5
91.05463	25.3
93.07021	34.3
95.04975	8.4
95.08582	15.8
97.06496	9.4
97.10163	35.0
98.21325	6.4
105.07034	36.6
107.04979	8.8
107.08588	67.2
109.06527	9.4
109.10160	13.8
111.08096	5.1
117.06998	10.2
119.08531	23.4
121.06505	6.8
121.10142	11.1
123.11707	5.8
125.09610	40.0
127.03907	6.1
131.08549	13.8
133.10106	20.9
135.08011	4.9
135.11702	12.6
137.03880	4.9
137.05942	5.5
145.10110	28.0
147.11678	12.9
149.09624	14.5
149.13254	7.9
159.11720	11.1
161.09528	4.0
162.21996	4.0
163.11206	6.6
167.53976	5.2
169.10092	4.9
171.10147	5.4
173.13266	7.3
186.06677	4.5
189.11256	25.4
227.12726	34.6
245.13795	16.6
255.15895	20.8
257.18979	23.3
269.17459	12.6
275.20056	68.4
331.22897	6.5
349.23663	100.0
367.24426	7.0
376.97162	5.2
392.88184	4.6
408.54749	4.9
519.70874	4.8
564.07001	9.5
564.24542	8.6
565.08899	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01862	2.9
55.05508	14.7
57.03440	7.9
57.07065	3.7
58.92199	1.1
65.03925	2.1
67.05493	63.5
69.03410	1.7
69.07056	16.3
69.31052	13.7
71.04982	3.4
79.05485	39.1
81.03438	1.5
81.07046	100.0
83.04974	5.0
83.08606	9.8
84.82936	1.1
85.06529	4.2
89.07507	1.1
91.04929	1.9
91.05471	31.3
93.07034	38.9
95.04947	4.7
95.08595	51.7
97.06519	6.3
97.10134	2.6
99.08083	4.0
103.14455	1.2
105.07016	35.3
107.04944	1.3
107.08575	24.7
109.06501	5.5
109.10129	17.3
111.08083	3.1
113.06016	1.6
117.06979	7.5
119.08562	27.7
121.10140	27.5
123.08033	3.6
123.11684	27.9
127.07523	3.0
129.06993	1.7
131.08546	9.3
133.10103	9.2
135.11693	11.5
137.13229	4.4
145.10123	8.4
147.11674	50.6
149.09608	2.2
149.13266	7.8
151.11137	1.4
151.14909	1.4
157.10103	2.4
159.11700	5.9
161.13248	4.1
163.14822	4.6
165.12735	21.7
173.13292	5.8
175.11180	3.1
175.14816	2.2
183.13785	2.7
187.14807	3.3
189.88834	1.1
193.12265	2.1
229.14366	5.4
243.21068	5.3
261.22125	31.9
267.15897	30.7
268.16446	1.8
277.21301	1.5
279.23166	7.0
285.16934	38.6
292.00711	1.2
300.95126	1.2
305.34109	1.3
311.43124	1.3
313.03241	1.5
317.24649	6.9
333.23993	1.5
335.25742	36.3
336.84174	1.4
353.26767	3.0
407.15054	1.3
435.32449	1.3
453.33603	3.2
471.34384	2.7
527.36969	5.1
545.38324	20.1
563.39551	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	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82898	2.7
53.03926	4.5
55.05507	17.9
57.03426	9.8
62.34776	2.1
65.03944	3.9
66.11158	2.1
67.05496	70.5
67.63455	2.2
68.55795	2.1
69.07064	16.5
71.04968	4.5
74.87095	2.6
79.05484	40.8
81.03410	2.5
81.07046	100.0
83.04942	5.6
83.08614	9.0
84.36382	2.5
85.06545	3.9
91.05468	41.1
93.07031	43.0
95.04979	5.9
95.08593	49.4
97.06516	7.5
97.10166	3.1
105.07003	37.7
107.08584	24.6
109.06502	5.9
109.10134	21.4
112.92817	2.4
117.07014	6.7
118.51080	2.7
119.08563	33.5
121.10119	38.6
123.08078	5.6
123.11673	27.0
129.06952	3.8
131.08553	10.6
133.10139	11.6
135.11679	14.3
137.13226	6.0
145.10097	10.4
147.11676	49.7
149.13251	8.5
157.10052	4.1
159.11647	8.4
161.13268	6.6
163.14874	3.7
165.12729	17.9
173.13287	6.3
175.11221	3.1
175.14842	3.0
183.13684	2.6
187.14798	4.0
229.14337	5.1
243.21101	7.7
258.07248	2.4
261.22083	31.1
265.30331	2.9
267.15930	32.4
279.23172	5.2
285.16937	34.8
317.24786	10.8
335.25775	44.9
353.26498	2.5
453.33484	3.2
471.34747	5.4
527.37054	6.0
545.38037	21.6
563.38702	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	563.139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09209	0.2
67.05492	0.2
71.58678	0.4
79.05454	0.3
81.03394	0.3
84.08128	0.3
85.02877	0.3
91.05454	0.3
97.02858	0.6
97.06523	1.8
103.84615	0.2
105.07008	0.2
118.04228	0.2
121.02865	0.3
122.03571	0.3
123.04410	0.8
125.02300	0.2
127.04012	0.2
137.02257	0.4
137.05902	0.7
139.03889	0.3
145.02802	0.3
147.04370	0.4
148.05173	1.6
153.01770	1.7
163.07597	0.2
165.01888	0.4
170.02086	1.7
177.01749	0.3
177.05519	0.5
178.02580	3.0
179.03285	0.5
183.02859	1.6
191.03375	0.3
195.02898	0.5
197.05968	0.4
198.06662	0.2
205.04936	0.3
210.06757	0.3
213.05476	0.4
215.06972	0.7
219.03021	0.2
225.05580	0.2
226.06270	0.6
229.04820	0.3
242.05515	0.3
253.04912	7.2
254.05699	3.3
255.06458	0.3
256.07291	0.2
257.04349	0.8
259.09714	1.7
268.03784	0.4
269.04352	0.8
269.08096	0.7
270.05301	0.3
271.05981	4.9
271.08704	0.4
281.04416	4.7
282.05185	7.0
283.05835	1.5
284.06659	0.3
285.03876	1.8
286.04431	0.3
287.05554	0.3
299.05466	15.7
300.06210	3.7
301.06946	0.3
315.08569	100.0
316.08905	1.9
329.06680	0.3
348.07678	0.2
563.11792	0.4
563.31622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1748
Annotation	Glycyroside
Peak:m/z	Relative Intensity
53.76096	0.1
54.45978	0.1
55.01848	0.1
61.22441	0.1
64.16231	0.1
67.05502	0.2
68.99781	0.2
69.03403	0.2
69.28575	0.5
69.28996	1.2
71.04966	0.2
79.05463	0.4
81.07040	0.2
85.02884	0.5
91.05443	0.5
95.04947	0.2
97.02866	0.3
97.06522	1.5
100.80127	0.1
105.07014	0.3
107.04939	1.5
108.02079	0.2
118.04142	2.3
119.04926	0.4
121.02858	0.3
123.04417	0.8
127.03936	0.2
133.02824	0.2
133.05026	0.1
133.06448	0.3
135.04375	0.3
136.01552	0.2
136.09146	0.1
137.02295	0.8
137.05939	0.4
143.08517	0.1
145.02795	0.2
147.04398	1.8
149.02356	0.3
153.01787	0.2
154.02600	1.1
156.05641	0.2
161.05818	0.1
163.03856	0.3
165.01787	0.3
167.06989	0.2
170.07236	0.3
171.08028	0.1
177.01729	0.3
177.05453	0.4
181.06432	0.5
182.07318	0.3
183.02902	0.3
191.03342	0.3
195.02814	0.6
195.07986	0.2
197.05916	1.1
198.06735	0.6
213.09055	4.6
219.02878	0.3
219.10191	0.5
225.05399	0.7
226.06200	2.8
237.05437	4.2
237.07800	0.3
238.05916	0.2
239.07208	0.2
241.08627	0.3
253.04919	3.7
254.05690	5.2
255.06131	0.2
267.06543	0.3
268.07239	0.4
269.08038	100.0
270.08405	2.3
271.99994	0.2
297.07590	1.1
315.04819	0.2
315.08572	0.4
329.06418	0.2
339.08301	0.2
353.10266	0.2
359.11197	0.2
383.11234	0.6
393.13470	0.1
397.12823	0.2
399.10739	0.3
416.35501	0.1
417.11658	0.4
421.12695	0.3
425.11902	0.2
431.13406	0.8
491.13049	0.2
563.14575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66399	3.2
53.03953	4.1
55.01865	8.5
55.05508	39.4
57.03430	10.7
57.07071	6.3
64.59245	3.6
64.91689	3.6
65.03934	6.8
67.05157	5.4
67.05502	77.8
68.05846	4.4
69.03416	5.4
69.07060	31.2
71.05009	6.7
72.44396	3.7
74.09740	3.6
79.05485	56.1
80.72520	4.2
81.03415	21.1
81.07047	100.0
83.04967	14.4
83.08632	19.4
85.02893	4.5
85.06559	5.4
91.05473	63.9
93.07036	63.4
95.04955	17.0
95.08614	56.2
97.06511	11.6
97.10167	14.1
98.20752	8.9
105.07026	64.3
107.04985	9.4
107.08585	48.9
109.06515	10.8
109.10143	43.3
111.04419	5.7
111.08064	10.0
117.07007	17.4
119.08583	56.1
121.03611	3.9
121.06487	7.9
121.10131	46.3
123.08067	9.4
123.11706	15.0
125.09614	6.8
128.06197	4.4
129.07002	13.2
131.07600	5.1
131.08543	30.1
133.10103	62.3
135.08025	9.9
135.11665	23.3
136.11993	4.0
137.09564	6.0
141.06938	4.8
142.07773	12.2
143.08578	20.4
145.10112	38.9
147.08031	8.2
147.11716	23.7
149.09598	11.3
149.13277	8.1
151.11208	5.3
155.08575	11.0
156.09346	9.0
157.10114	29.9
159.11656	28.0
161.09546	6.1
161.13274	9.7
163.11153	5.8
167.08492	4.8
168.09283	4.3
169.10094	15.5
170.10927	5.8
171.11653	19.2
173.13271	23.4
175.11148	6.7
175.14821	6.2
179.08545	6.2
181.10120	10.3
181.12212	6.6
183.11678	13.2
185.13243	11.0
187.14819	13.3
189.12672	5.8
191.14272	5.3
193.10178	8.3
193.12253	12.0
195.11731	10.6
196.12466	4.3
197.13277	11.2
199.14777	10.1
206.10919	4.7
207.11647	9.1
207.13533	4.0
209.13223	9.4
211.13158	18.1
211.15015	5.7
221.13260	13.1
221.15350	10.5
223.14659	4.9
227.12807	6.6
229.14346	4.4
229.68507	5.7
231.11705	5.1
233.13229	5.2
233.15375	7.3
235.14903	4.9
245.13217	4.7
246.13889	4.4
247.14729	6.3
249.16452	5.0
261.22079	7.9
263.17975	5.9
271.14636	6.2
273.16275	7.0
275.17850	4.8
277.19211	4.7
279.22897	3.8
285.16739	13.7
298.17197	4.6
303.23318	5.2
335.25671	12.3
341.22662	4.4
364.81754	4.0
435.32748	5.6
453.33401	14.1
471.34314	8.7
473.33441	4.7
509.36020	6.7
527.37598	23.5
545.38159	66.9
563.38977	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71881	2.6
55.01850	8.2
55.05507	24.1
56.82309	2.8
57.03430	15.0
60.12089	2.7
67.05496	32.7
68.99733	2.8
69.03407	9.2
69.07058	16.5
71.04986	4.9
71.62006	6.0
78.39909	2.6
79.05482	49.2
79.82579	2.4
80.06263	6.2
81.02946	6.4
81.03407	96.4
81.07049	40.9
83.04971	15.8
83.08607	24.5
85.02889	10.9
85.06498	3.5
87.89565	3.0
91.05473	38.0
93.07037	24.9
95.04956	39.1
95.08602	17.6
97.02885	3.4
97.06522	91.4
97.10143	7.3
99.08083	4.2
105.07009	31.8
107.04938	12.7
107.08562	14.8
109.06505	8.2
109.10130	9.5
111.04431	4.0
111.08058	9.8
113.05946	3.6
117.07005	7.6
119.08582	22.9
121.06497	5.9
121.10104	13.0
123.04398	3.3
123.08060	3.6
125.09644	5.3
129.06972	12.0
131.08562	19.8
133.06439	4.7
133.10092	12.7
135.11673	3.1
137.05946	4.2
137.09569	5.0
143.08469	3.1
145.06454	3.5
145.10080	5.7
147.07964	3.7
147.11636	14.2
149.09598	8.1
153.06960	2.9
157.06409	3.1
157.10110	19.2
163.11075	3.8
165.12666	3.4
165.92822	4.1
169.10089	3.1
173.05971	8.2
175.11177	19.4
178.06175	4.8
179.06906	3.7
179.08446	4.0
181.08484	4.0
183.08017	5.0
185.05937	4.1
187.07498	4.0
188.08208	4.6
189.15192	5.0
193.10527	4.4
193.12222	37.3
195.11859	3.5
199.07472	3.7
207.08034	4.4
209.09590	5.9
211.07469	6.2
211.13275	32.3
213.09045	4.3
223.07500	3.9
225.09062	4.0
253.08672	3.6
263.10590	4.2
267.15878	100.0
269.08102	6.1
279.06409	2.9
281.08069	3.5
283.06381	3.6
284.13852	4.7
285.16956	24.3
315.04831	5.2
335.09134	3.4
336.16965	3.5
344.17468	3.2
345.09659	12.3
362.18692	8.3
367.22705	9.1
379.11584	7.4
380.19720	37.4
385.23584	13.0
398.20667	17.0
403.24866	3.9
417.20496	8.3
418.20081	6.2
433.25671	9.8
435.21564	4.5
435.36829	3.3
436.21246	3.1
441.25867	3.7
445.19803	7.5
447.17590	3.8
459.27432	51.5
463.21390	5.4
473.19489	21.1
477.28445	42.0
481.21829	5.2
491.20483	29.1
502.13934	7.9
509.21225	6.5
544.15021	13.0
544.26300	11.1
562.27789	42.3
562.35980	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	563.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77340	0.2
57.03409	0.3
57.04398	0.2
69.03425	1.6
69.33801	1.2
69.34225	0.9
70.06571	0.2
71.04967	0.3
74.73750	0.2
81.03426	1.1
83.77525	0.2
84.99261	0.2
85.02905	1.6
87.00800	1.0
91.05463	0.3
95.04987	0.3
97.02888	1.3
97.06515	1.3
99.04418	0.3
105.01859	0.4
107.04923	0.6
109.02862	0.8
121.02855	0.4
122.76512	0.2
123.04481	0.4
123.05300	0.2
124.43301	0.2
127.03908	1.1
134.03706	0.3
137.02316	8.7
145.02792	0.2
145.04947	0.2
145.92343	0.2
147.04372	1.1
149.02333	2.9
153.05428	0.7
155.05972	0.2
159.02902	0.4
163.03896	0.6
164.04732	1.3
165.01782	0.5
167.03395	0.8
170.01067	0.2
170.86505	0.2
177.01761	0.4
177.05412	0.5
183.02866	0.2
184.03677	0.3
184.05119	0.7
187.03906	0.5
189.05511	1.0
191.03477	0.4
195.02843	0.5
195.04422	0.3
201.05457	0.5
211.03897	0.2
212.04640	3.6
213.05490	0.3
215.03316	1.9
223.03891	0.4
226.06126	0.3
227.06972	0.5
229.04903	0.8
231.02751	0.3
239.03439	0.3
240.04131	3.4
243.06540	0.6
244.07240	0.4
251.18257	0.2
255.06485	3.9
257.04416	7.8
259.09601	0.4
267.02942	0.4
267.06442	0.2
268.03641	2.5
269.04361	0.7
269.08066	0.4
271.05893	0.3
272.06714	0.3
283.05978	3.6
285.03900	26.5
286.04178	0.3
287.09024	0.2
299.05496	0.6
300.06238	17.1
301.06445	0.4
315.08575	100.0
316.08847	1.9
339.08615	0.3
351.12747	0.3
397.80151	0.2
407.83578	0.3
408.81973	0.2
425.12613	0.2
563.12714	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	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
53.57222	2.6
53.75647	3.0
55.01862	4.6
55.05506	23.7
57.03427	13.4
61.02902	4.7
66.27825	2.8
67.05495	36.1
69.03422	10.1
69.07065	32.8
71.04962	4.4
71.59315	3.4
71.59694	4.5
79.05491	46.1
80.06268	4.7
81.03413	50.7
81.07056	38.8
83.04964	17.9
83.08627	19.7
85.02890	9.2
91.05022	2.7
91.05476	29.4
93.07026	26.8
95.04966	29.2
95.08617	16.4
97.02863	13.2
97.06525	49.6
97.10144	17.3
105.07021	21.8
107.04945	11.2
107.08592	14.2
109.02936	2.9
109.06515	4.9
109.10133	8.2
111.08072	6.5
114.44778	3.0
117.07012	7.0
119.08600	18.3
121.06487	4.8
121.10103	7.0
123.08086	5.3
125.09592	7.1
129.07007	9.8
131.08551	16.2
133.06413	3.8
133.10130	10.7
135.07954	2.9
135.11667	3.9
137.09633	5.3
143.08600	3.1
145.06517	3.1
145.10120	5.7
147.08041	6.3
147.11650	10.5
149.09612	3.9
149.13280	3.0
153.06973	4.2
155.08591	3.0
157.10103	13.9
161.09570	4.8
167.08554	3.9
171.46974	3.1
173.05965	4.3
175.11192	12.2
177.12794	4.5
179.06958	5.6
179.08530	4.1
181.06409	6.5
183.08005	4.1
189.11229	6.9
193.12212	21.5
195.08032	4.0
199.15448	2.9
209.09608	3.9
211.07474	4.0
211.13312	18.5
221.09726	4.0
223.13234	15.1
227.12837	5.8
249.14816	3.6
256.14261	3.7
265.12305	3.3
267.15903	50.4
273.18484	12.5
285.16898	17.5
291.19504	81.0
334.19031	3.3
361.10400	3.4
362.18707	11.1
365.23203	100.0
367.22693	4.2
380.19824	31.2
385.23581	6.1
398.20987	10.6
403.25189	3.5
417.20465	4.8
433.25543	4.8
435.21848	3.6
445.20282	6.6
459.27380	27.2
463.21030	5.9
473.19412	20.5
477.28571	24.2
491.20444	19.3
509.20572	3.7
510.35095	3.6
544.14764	7.4
544.27124	4.2
562.11279	3.8
562.27527	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	562.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01866	3.2
55.05508	17.2
57.03419	3.5
67.05499	19.0
69.03419	7.0
69.07056	16.2
69.38921	10.9
69.39336	6.2
79.05480	22.1
80.06259	3.5
81.03410	11.3
81.07045	18.3
83.04977	5.0
83.08601	12.1
85.02900	3.8
91.05471	20.1
93.07022	14.7
95.04969	8.2
95.08591	9.2
96.60934	1.7
97.02878	6.2
97.06514	8.7
97.10142	10.1
103.05473	2.7
105.07008	10.3
107.04950	3.7
107.08603	9.0
109.02856	3.6
109.10144	5.4
115.05516	1.9
117.07003	5.8
119.08549	12.5
121.06475	3.1
121.10136	4.8
123.08059	3.2
125.09628	7.1
127.03920	7.2
129.06999	5.8
131.08525	8.9
133.10109	6.7
135.08070	2.7
137.09627	2.6
143.08490	2.9
145.10098	5.1
147.07983	4.5
147.11638	4.1
149.09616	2.0
155.08582	2.1
157.10127	2.8
159.11748	2.3
173.11830	1.7
175.11259	3.1
177.12767	3.5
179.08492	1.8
181.06441	1.9
189.11230	2.7
193.12207	4.7
195.08087	2.8
199.07520	2.8
211.13255	2.5
217.22287	1.9
223.07625	2.6
223.13268	9.2
225.09119	2.4
226.35538	1.8
249.14818	1.7
251.10548	1.9
267.15775	3.2
269.07980	3.5
273.18396	9.2
275.72305	2.1
285.16803	4.1
291.19507	100.0
292.19986	2.8
330.50235	2.0
345.09650	3.6
362.18759	4.6
365.19196	1.8
365.23172	49.8
366.23526	3.2
380.19745	21.6
398.21072	3.1
435.23679	5.3
473.19601	8.7
491.20538	6.9
509.21664	2.2
562.27814	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01858	11.0
55.05503	14.9
57.01698	1.3
57.03428	7.7
57.07071	1.4
61.02908	2.6
61.62489	1.4
65.03947	3.0
67.05494	55.5
69.03422	9.6
69.07061	14.7
71.04982	5.9
71.60554	2.7
73.02904	2.3
79.05480	32.0
80.05793	1.7
81.03407	16.2
81.07044	55.3
83.04960	12.0
83.08607	6.6
85.02895	8.4
85.06554	7.2
91.03934	2.2
91.05466	44.8
93.07032	32.8
95.04956	13.0
95.08603	20.6
97.02885	4.1
97.06507	7.9
97.10154	3.3
99.04418	4.6
99.08058	1.5
105.07012	43.2
107.04952	9.1
107.08579	36.4
109.02861	6.4
109.06502	8.4
109.10139	54.3
111.08059	3.6
113.05991	2.5
115.05468	1.5
117.06979	7.5
119.08560	12.5
121.06495	6.1
121.10136	9.2
123.04441	2.8
123.08064	3.8
123.11659	11.6
125.09660	2.7
127.03894	11.2
127.07610	2.2
128.06183	1.7
129.07002	5.9
131.08565	10.9
132.09015	1.6
133.06467	4.2
133.10112	63.7
135.08005	7.2
135.11661	5.2
137.06020	2.9
137.09604	2.0
141.06981	2.0
143.08522	3.6
145.10132	6.8
147.08049	3.2
147.11687	4.9
149.09596	7.7
149.13242	2.1
151.11162	34.8
152.18030	1.6
153.09093	1.8
157.10081	4.1
159.11676	4.2
161.09631	5.1
161.13260	3.6
163.11177	4.0
165.12694	2.5
169.12241	8.1
171.11696	3.6
171.91667	1.6
173.13214	2.0
175.11128	4.0
177.09109	2.2
177.12668	2.0
179.10640	2.0
181.12257	1.7
193.12256	2.0
197.11754	1.8
211.13284	2.3
215.12726	8.9
217.19385	1.5
234.20045	1.7
245.18996	3.5
251.12852	2.6
253.14307	100.0
255.17508	2.2
263.19965	6.8
267.15894	1.6
269.13806	2.4
271.15384	16.4
273.18466	19.2
279.23209	5.4
285.16974	1.8
291.19522	31.3
309.20541	2.3
318.62210	1.5
323.14941	4.1
341.15967	6.6
345.09799	2.0
347.22180	4.5
365.23175	60.8
383.23947	1.8
435.23706	5.1
435.82953	1.6
540.00037	1.4
544.36914	4.3
562.10901	3.2
562.38171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66288	0.3
57.03437	0.4
65.03939	0.5
67.05505	0.4
69.03405	0.8
70.25701	1.2
79.05480	0.4
81.03415	0.4
85.02886	1.2
91.05451	0.4
95.11599	0.4
97.02877	100.0
97.06522	0.6
98.03215	0.8
107.08524	0.4
111.04407	0.5
113.06004	0.6
114.05537	0.4
117.03338	0.6
121.02849	10.3
131.07008	1.7
133.02838	0.4
136.11232	0.3
137.02306	1.3
137.05989	0.3
145.02824	1.8
147.04359	1.0
148.05170	0.5
149.02299	0.5
151.03897	1.5
171.02982	0.3
177.05428	2.5
178.05861	0.7
181.08632	1.5
183.02876	0.3
212.04747	0.6
215.03299	0.4
217.04929	10.8
217.06935	0.8
235.05984	7.4
240.04099	0.4
253.07100	5.0
255.06635	0.4
257.04376	0.8
283.02655	0.5
283.05972	0.6
285.03848	3.0
300.06262	1.5
315.08539	9.9
315.12204	0.5
339.10309	0.4
349.07013	0.4
354.14346	0.5
355.08624	0.4
356.08545	0.4
376.21759	0.4
475.42377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01858	9.3
55.05510	16.2
57.03433	11.0
61.02919	4.1
65.03915	2.8
67.05495	56.4
69.03410	6.7
69.07062	17.3
71.04965	5.4
71.59430	3.1
79.05479	31.0
81.03414	17.6
81.07046	55.4
83.04961	10.8
83.08598	8.0
85.02885	6.3
85.06521	5.8
91.05464	54.1
93.07026	37.0
95.04948	16.8
95.08578	16.5
97.02879	2.9
97.06512	9.5
97.10149	3.6
99.08055	2.9
99.14819	1.7
105.07016	41.1
107.04934	8.3
107.08582	32.2
108.37466	1.7
109.06523	11.0
109.10146	50.4
111.04447	2.2
111.08054	2.5
115.76324	1.9
117.07001	7.4
119.04958	3.0
119.08553	11.0
121.06472	4.8
121.10120	9.9
123.08083	4.1
123.11679	7.3
125.09583	2.1
127.07512	2.4
129.06995	3.4
131.08546	13.9
133.06506	5.8
133.10114	57.4
133.11073	1.9
135.08037	5.4
135.11703	4.2
137.09612	3.5
143.08565	3.1
145.06413	2.1
145.10086	5.2
147.08018	2.2
147.11659	7.2
149.09590	8.2
151.11153	28.5
157.10107	4.1
159.08011	2.2
159.11736	3.9
159.21031	1.7
161.09576	4.3
163.11176	2.8
169.10068	2.7
169.12227	4.9
171.11699	2.8
175.11209	5.8
177.09013	2.1
177.12723	2.2
193.12239	5.1
199.11180	2.0
211.13293	3.9
215.12755	2.9
231.13817	2.0
245.18861	2.3
253.14319	100.0
254.14609	2.9
255.17410	2.5
263.20004	3.1
267.15842	10.1
269.13730	4.3
271.15317	17.1
273.18448	13.7
285.17017	2.9
290.26050	1.8
291.19431	14.5
319.67563	1.9
345.09671	2.2
347.22061	7.3
365.23196	93.0
366.23639	3.5
380.20099	2.0
459.27203	5.2
477.28476	11.3
544.36914	4.0
562.37714	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	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00372	1.1
53.03934	5.1
55.01878	1.6
55.05502	20.6
56.26630	1.2
57.03418	4.0
57.07071	3.7
59.04991	1.4
60.75069	1.2
65.03941	4.1
67.05496	84.9
69.03416	3.4
69.07060	17.4
70.00047	6.1
71.04984	59.4
71.08611	1.8
71.80524	1.2
79.05485	62.6
81.03431	2.2
81.07047	100.0
83.04966	11.7
83.08609	11.4
85.06546	7.2
91.05467	60.5
91.06049	2.1
93.07034	71.9
95.04955	11.2
95.08594	42.0
95.09205	1.5
97.06530	9.5
97.10178	4.0
98.20719	2.3
105.04521	1.9
105.07011	32.5
107.04950	1.8
107.08582	36.1
109.06526	5.3
109.10139	17.7
111.08085	3.8
117.06992	10.6
119.08554	17.3
121.10123	26.0
123.04406	1.2
123.08087	2.3
123.11693	19.7
125.09641	2.4
126.01431	1.3
129.06961	1.6
131.08539	15.8
133.10118	32.1
135.08064	2.2
135.11684	18.6
137.09648	1.6
139.11198	1.3
143.08600	2.2
145.10156	10.1
147.11678	6.9
148.90529	1.2
149.09679	1.7
149.13255	14.5
151.11168	15.3
157.10081	2.0
159.11679	11.6
161.13272	6.1
163.11118	1.5
163.14836	2.2
169.12152	1.4
171.11717	2.1
173.13280	4.3
175.14827	2.1
177.12776	4.3
183.13818	20.5
187.13321	3.5
187.14871	2.5
195.13809	6.9
213.14803	1.6
227.16447	2.7
257.17569	1.4
259.20547	1.6
261.22263	5.4
269.17490	3.3
283.19110	4.0
285.17081	5.4
293.21204	2.1
317.24847	2.1
361.27618	2.3
363.25421	2.8
437.34589	2.1
455.35791	1.6
517.38867	28.9
529.38892	12.2
537.78174	1.6
543.37140	2.5
561.24579	5.5
561.41534	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01873	2.5
55.05508	26.1
57.03421	5.8
57.07052	4.3
65.03915	3.9
67.05499	85.2
69.03412	3.6
69.07058	18.5
71.04987	50.1
71.08622	1.7
71.31816	2.3
71.32162	2.2
79.05486	59.3
81.03408	4.8
81.07049	100.0
81.98339	1.5
82.07407	1.5
83.04964	11.7
83.08605	12.0
85.06536	9.4
90.40919	1.4
91.04884	1.5
91.05470	60.6
93.07036	76.7
95.04977	10.2
95.08595	38.1
97.06516	9.9
97.10171	5.5
99.08085	3.5
105.04543	1.8
105.07022	35.2
107.04980	1.6
107.08582	35.4
108.15916	1.3
109.06522	4.1
109.10128	17.3
111.04408	1.5
111.08065	4.9
111.43924	1.3
117.07019	10.5
119.08577	19.4
121.06517	2.0
121.10123	20.8
123.08047	2.3
123.11704	17.0
125.09599	3.2
129.06989	2.7
131.08554	18.5
133.10117	33.4
135.11685	14.2
137.09598	2.4
143.08568	3.2
145.10121	9.9
147.11699	8.1
149.09523	1.8
149.13214	13.7
151.11182	13.2
153.12700	2.1
157.10110	2.8
159.11691	14.3
161.13255	6.4
163.11227	2.0
165.12718	1.9
169.70332	1.5
171.11670	2.8
173.13254	6.6
175.14859	2.7
177.12758	5.0
183.13780	18.1
187.13290	2.5
187.14807	2.2
189.11075	1.7
195.13756	3.8
200.41159	1.3
213.14810	2.4
219.17432	1.7
227.12799	2.4
227.16519	2.0
243.20883	1.8
261.22183	3.6
269.17435	3.5
275.19894	2.7
283.15613	1.8
283.18997	3.5
285.16928	4.6
317.24652	2.3
335.25699	1.8
363.25269	3.0
437.33875	2.3
454.75449	1.6
517.38849	25.4
529.38623	10.2
543.36682	8.6
561.41559	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01862	4.8
55.05498	22.8
57.03432	9.8
57.07046	4.9
65.03934	3.2
67.05493	80.7
69.03416	3.2
69.07056	23.7
70.14903	5.7
70.15294	4.3
71.04984	15.2
71.08639	2.6
79.05478	68.9
81.03407	5.0
81.07043	90.5
83.04964	7.5
83.08593	13.4
85.06549	2.5
91.05470	40.2
93.07028	78.0
95.04940	12.6
95.08591	84.3
97.02872	5.0
97.06514	6.1
97.10142	3.0
99.04433	4.0
99.08038	3.2
103.05402	2.1
104.02225	2.4
105.07011	33.9
107.04927	9.8
107.08570	54.9
109.06513	4.8
109.10123	26.9
111.04434	2.1
111.08066	3.2
117.06992	19.5
119.08566	25.9
121.06441	5.5
121.10125	37.0
123.08116	2.1
123.11711	9.7
125.05940	3.6
129.06984	4.0
130.07782	4.0
131.08519	16.5
133.10120	19.7
135.08009	4.8
135.11670	56.2
137.13203	2.5
142.07709	2.6
143.08537	4.5
145.10107	34.0
147.11635	12.0
149.09625	2.8
149.13217	12.3
151.11148	6.3
157.10086	3.6
159.11679	13.5
161.13234	7.2
163.11157	47.7
163.14835	5.4
171.11690	2.4
173.13217	5.0
179.14252	4.4
181.12199	8.5
185.13275	2.8
187.14813	4.3
193.12263	2.1
219.98927	1.9
227.10449	4.8
227.12735	100.0
236.92081	2.2
243.21039	7.4
253.14352	2.8
261.22095	34.7
261.24759	3.3
277.21606	5.9
283.15350	40.3
291.19547	6.1
299.23563	2.8
317.24680	11.6
335.25766	64.2
349.23654	2.2
365.79645	2.1
469.32571	2.7
514.29150	2.5
517.38794	3.8
529.38715	2.8
543.36725	43.1
561.41382	14.5
580.90735	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	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01863	5.9
55.05507	28.0
56.43629	1.8
57.03422	6.6
57.07059	2.7
65.03928	4.5
66.67114	1.7
67.05500	82.2
69.03435	3.4
69.07067	23.0
70.92560	3.5
71.04987	34.7
71.08623	2.9
79.05488	63.5
81.03396	9.3
81.07050	100.0
83.04968	10.7
83.08614	11.6
85.06529	6.5
91.05471	64.7
93.07034	67.5
95.04956	11.2
95.08595	48.2
95.15013	1.6
97.06516	8.5
97.10135	6.2
99.08099	3.2
102.49557	1.8
103.05508	1.6
105.04520	2.0
105.07018	37.8
107.04938	3.7
107.08582	40.8
107.09332	2.3
109.06504	5.5
109.10147	21.0
111.08082	5.5
117.07009	13.3
119.08575	27.8
121.06495	2.5
121.10140	25.2
123.08067	4.4
123.11719	11.9
125.09618	5.1
127.21602	1.8
129.07002	5.8
131.08553	23.0
133.10114	29.2
133.11053	3.1
135.08018	4.1
135.11678	22.3
137.09555	3.0
143.08534	7.0
145.10121	18.9
147.11673	11.3
149.09579	3.1
149.13237	11.6
151.11200	10.7
155.08574	2.3
157.10115	4.2
159.11652	8.7
161.13239	6.5
163.11139	8.6
163.14844	2.1
165.12791	2.1
169.10066	1.9
171.11688	3.7
173.09534	2.2
173.13255	6.3
174.23532	2.0
175.14822	3.2
177.12718	4.8
179.14435	1.7
181.12297	2.0
183.13808	9.4
187.13303	2.2
187.14775	2.1
189.11226	2.9
194.27390	1.9
195.13782	6.5
199.14899	2.3
227.12781	18.4
243.21001	2.5
253.14371	7.9
253.17749	3.3
261.22095	5.8
267.15918	3.3
269.17386	3.7
275.20029	5.5
277.21707	2.9
283.15417	7.6
283.18463	2.0
285.17032	2.9
291.19492	5.0
293.21393	1.9
317.24829	3.7
335.25787	10.5
385.95898	1.8
418.90619	2.1
469.33133	2.9
511.37424	2.3
517.38824	10.8
525.35468	3.9
529.38782	22.9
543.36713	16.7
553.61731	1.7
561.41827	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
54.05907	1.4
55.01867	17.6
55.05505	28.1
57.03205	1.4
57.03430	16.2
57.07061	2.5
59.04968	1.9
61.02897	2.2
65.03925	5.5
67.05495	97.3
67.28049	1.3
69.03425	26.5
69.07063	25.9
71.04974	9.9
71.08591	1.4
71.66145	2.0
73.02526	2.0
73.02907	28.7
79.05483	58.1
79.72500	1.4
81.03405	26.7
81.07045	100.0
82.07390	1.6
83.04967	12.1
83.08604	16.0
85.02898	20.2
85.06533	5.0
91.05468	50.4
93.07034	68.5
95.04955	12.7
95.08593	66.5
96.08934	2.1
97.02865	9.9
97.06517	9.8
97.10152	9.2
99.04436	14.2
99.08051	2.6
103.03934	1.4
103.05451	1.6
105.06328	2.7
105.07012	38.7
107.04922	5.3
107.08583	40.5
109.02863	36.5
109.06490	8.8
109.10145	32.0
110.03642	4.0
111.04428	33.7
111.08066	5.0
115.05448	3.0
117.07017	16.3
119.08568	32.4
121.06468	3.7
121.10126	29.6
123.08057	4.3
123.11691	15.4
125.09601	6.2
127.03899	22.5
129.07014	6.6
130.07721	2.0
131.07652	2.3
131.08549	25.2
132.99530	14.1
133.06483	1.5
133.10107	24.5
135.08009	6.5
135.11679	20.7
137.06013	1.5
137.09584	3.8
137.13252	3.9
139.11142	2.5
143.08546	5.4
145.06499	2.3
145.10109	19.1
147.08034	3.5
147.11681	19.1
149.09581	8.4
149.13272	15.9
151.00552	5.5
151.11160	3.2
153.09090	1.5
155.08513	3.2
157.10100	8.4
159.08034	1.6
159.11665	15.4
161.09604	2.4
161.13245	8.9
163.11168	6.1
163.14804	5.0
165.12747	3.3
167.00085	1.9
169.10129	3.7
171.10338	1.4
171.11674	6.2
172.99048	4.6
173.09578	1.6
173.13242	10.9
175.11148	2.8
175.14853	2.6
177.12794	2.0
179.14314	1.8
181.10133	2.3
181.12259	1.4
183.11633	2.9
185.13240	4.5
187.14771	4.8
189.11168	4.0
191.00098	15.3
195.11674	2.0
195.13721	2.3
197.13220	1.9
199.14792	2.6
201.16325	1.9
209.01141	4.7
209.11581	3.4
209.13350	1.8
211.14790	1.9
223.41695	1.6
227.12764	6.4
229.14229	2.3
229.19412	1.9
241.19524	2.7
243.21034	7.1
247.16884	2.4
257.19031	2.0
259.20560	4.2
261.22110	22.2
267.15759	2.8
269.17465	7.5
273.18689	1.5
275.20065	13.8
277.21555	2.4
279.23257	2.3
285.16867	1.4
293.20761	2.3
299.23529	2.3
301.21588	3.1
315.23157	3.7
317.24661	3.4
333.24149	3.2
335.25806	19.3
337.27448	2.4
339.23026	1.6
349.23572	4.8
433.30954	2.5
451.32129	4.7
469.33121	5.4
487.34140	2.8
525.35461	6.2
543.36713	25.1
556.88147	1.4
561.10400	2.6
561.26996	32.6
561.37463	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.1
53.03930	3.9
55.01860	4.5
55.05241	1.3
55.05502	20.7
57.03426	8.5
57.07061	3.6
65.03920	3.0
67.05494	57.1
69.03413	4.3
69.07059	22.1
70.78505	2.9
71.04981	5.0
71.08628	1.2
73.02907	1.9
73.98055	1.2
76.37415	1.1
79.05482	44.2
79.27648	1.1
81.03410	5.2
81.07044	100.0
83.04977	6.5
83.08607	13.1
85.02903	2.5
85.06518	6.3
91.05465	56.3
92.05808	2.3
93.06433	2.7
93.07030	50.1
95.04954	7.0
95.08594	37.1
96.08913	1.2
97.02876	1.5
97.06520	6.9
97.10149	3.4
99.04486	1.6
99.08087	5.6
103.05438	2.8
104.06316	1.3
105.07014	67.1
107.04968	1.5
107.08582	32.5
109.02860	2.4
109.06505	6.8
109.10124	10.7
109.80615	1.3
111.04431	2.7
111.08054	2.9
117.06991	13.3
119.08564	67.4
121.09263	2.3
121.10126	36.7
123.08062	4.9
123.11692	25.5
125.09624	3.7
127.07563	2.2
128.06168	1.5
129.06973	6.5
130.07780	2.0
131.03378	1.2
131.08551	19.4
133.10121	29.4
135.08022	3.6
135.11662	14.5
137.09628	2.6
137.13258	3.1
139.11153	2.1
141.06947	1.5
143.08577	6.8
145.10092	18.0
147.08052	2.2
147.11661	83.8
148.12029	2.8
149.09587	3.6
149.13231	9.8
155.08539	2.4
157.10095	11.3
159.11647	12.9
161.13239	23.5
163.11220	3.4
163.14839	2.1
165.12744	27.0
169.10127	2.9
171.11655	7.9
173.13258	9.5
175.11198	3.3
175.14798	13.5
177.12738	1.9
183.11731	1.1
183.13831	4.3
185.13229	7.0
187.14774	4.0
189.12714	1.5
191.00215	1.9
191.14330	1.3
193.12279	3.0
199.14796	4.9
201.16261	2.3
211.14961	1.6
213.16309	1.5
215.17870	1.5
225.16182	1.1
229.14253	6.0
231.21091	5.4
241.19492	28.4
259.20547	51.1
260.20770	1.7
261.22165	1.6
265.59012	1.1
267.15854	26.9
275.20020	2.8
277.21661	6.9
283.15475	1.4
285.16904	44.4
286.17444	1.5
289.21646	1.7
315.23056	5.0
317.24893	1.8
333.24200	37.7
334.24640	2.3
335.25827	3.0
337.27130	1.6
351.25348	8.1
367.26187	1.3
402.59900	1.3
423.32230	1.5
433.30872	1.7
451.32022	5.2
469.32925	5.2
487.34317	1.9
525.35815	6.3
543.36810	20.6
544.37201	2.5
561.28687	2.0
561.37769	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	561.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	2.3
63.03981	1.6
69.03410	7.2
71.57822	2.7
85.02904	9.7
87.04450	2.6
94.06547	2.9
94.93009	19.1
95.90295	1.6
97.02888	6.7
98.97566	7.9
101.00908	2.0
110.97527	2.1
116.98605	4.5
119.01892	4.1
127.03918	3.5
128.98569	2.3
132.04404	1.8
138.05481	1.9
143.01897	4.3
146.99651	2.7
155.01857	2.5
158.99655	2.1
161.02928	6.1
170.99641	3.6
173.02901	3.7
176.93484	6.6
185.02937	4.0
187.02768	2.0
187.04578	2.0
189.00737	3.1
197.02927	2.1
201.00719	4.8
203.03992	5.3
219.01697	6.9
220.04584	4.7
220.06895	3.3
222.94029	15.4
237.06139	2.0
243.01692	2.2
245.05049	11.2
247.04779	2.8
250.93597	4.2
254.94887	1.8
261.02661	3.7
279.05957	2.2
311.72510	1.9
321.05066	2.5
333.05319	2.1
357.58514	1.8
381.06406	2.6
529.01434	6.7
561.04102	23.7
561.15570	100.0
562.04834	2.3
562.15918	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	561.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.4
70.00383	1.0
70.00802	1.2
85.02879	0.4
87.07420	0.3
91.05483	1.0
97.02859	0.4
97.06528	0.5
119.04926	2.7
132.82990	0.3
137.05910	0.7
147.04395	9.1
151.31741	0.3
162.03098	1.0
177.05466	0.4
188.80154	0.4
221.26778	0.4
275.70374	0.3
281.04422	0.5
298.04822	0.8
301.04904	0.5
313.03650	0.5
313.07022	4.1
315.06412	0.4
323.07327	0.9
329.04431	3.2
329.07819	0.5
331.06082	0.6
339.06409	0.8
342.05240	2.3
343.06052	1.2
348.33469	0.4
355.06039	1.2
356.06888	0.5
357.03827	1.3
357.07730	1.1
359.05441	0.6
367.05890	0.8
368.06885	0.5
370.04773	1.9
371.05408	0.7
375.04904	0.7
383.05463	0.9
384.06247	0.7
385.07214	2.0
387.04944	0.9
395.05521	0.7
397.07187	0.8
398.04306	1.1
399.05045	1.1
399.10690	1.7
404.05264	0.9
408.06894	0.4
411.04874	2.4
412.05835	1.0
413.06488	7.6
415.04382	4.4
425.06586	0.5
427.04623	1.4
430.06973	0.5
431.03671	0.5
434.09967	1.5
439.04092	2.2
441.06003	26.0
442.06754	0.8
445.09213	2.8
455.07715	1.5
456.08466	0.5
457.05316	0.6
459.06918	1.0
469.05353	5.0
469.59055	0.4
471.10825	7.5
483.07401	0.5
485.04828	2.1
487.06528	14.7
500.16885	0.4
501.08041	1.1
502.08008	0.4
503.06000	0.6
513.04584	4.3
515.10004	1.2
517.11200	3.6
531.05493	12.9
543.09143	3.1
545.06891	0.9
546.07672	0.6
561.10193	100.0
562.10248	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	561.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
67.05489	1.0
68.99785	0.3
69.03427	0.4
69.07053	0.4
69.51042	1.6
69.51476	1.6
71.42581	0.3
77.92142	0.3
79.05473	1.5
81.03392	0.6
81.07035	1.6
83.08629	0.4
91.05459	1.3
93.07088	0.6
95.04967	0.9
97.06499	1.0
98.20737	0.7
105.07011	0.6
107.04921	0.8
107.08618	0.4
109.10172	0.6
111.08040	0.5
117.07043	0.4
119.08563	0.5
121.02795	0.3
123.04446	0.4
124.05177	0.4
125.05988	0.5
131.04964	0.4
131.08595	0.4
133.10080	0.4
135.04413	0.5
137.05952	0.7
139.07487	2.2
141.11472	0.4
143.08574	0.3
147.04434	1.0
148.05055	0.3
149.06076	0.6
151.07561	0.6
153.05464	1.3
160.05132	0.3
163.03877	0.8
165.05475	0.5
167.07025	10.9
177.05472	1.1
178.06195	1.8
181.04990	0.6
181.06503	1.4
181.08574	0.7
191.07043	0.9
193.04948	1.0
195.06567	1.4
197.05991	0.4
203.03404	0.4
205.04980	0.7
207.04379	0.5
209.06024	0.6
213.05505	0.5
219.00584	0.3
225.05568	0.5
228.17409	0.5
235.03966	0.8
237.05440	4.0
253.05026	1.1
263.03323	3.8
265.04910	8.9
269.04608	0.5
279.02808	0.5
281.04495	1.5
291.02844	4.3
292.03513	1.0
293.04428	9.0
295.02509	0.5
307.02451	0.6
309.03961	1.3
319.02338	7.1
321.03934	3.0
327.06451	0.8
329.07983	0.5
337.03265	1.6
339.06540	0.4
341.04575	0.6
342.05167	0.6
343.08359	1.1
345.07639	0.7
347.01974	0.9
349.03235	0.4
355.05963	0.9
356.06921	0.6
357.07492	0.5
358.04843	0.7
359.05557	0.5
365.04279	0.6
367.05984	1.1
369.03793	0.8
370.04681	0.8
371.05374	0.4
373.07053	1.1
382.04523	0.7
383.05441	2.1
384.06259	1.1
385.07068	1.1
386.04227	1.6
394.04822	0.5
395.05402	1.0
396.06497	0.6
397.03180	1.0
398.04218	1.4
399.08905	0.9
400.05655	0.7
401.06589	2.0
409.03125	0.5
411.04904	3.2
412.05664	1.2
413.06494	1.5
414.03870	0.7
415.04407	0.5
421.03482	0.5
422.04218	0.5
423.05139	1.0
425.01923	0.4
425.06583	1.1
426.07648	0.8
427.08218	1.3
428.08926	1.1
429.06055	4.3
436.06003	2.2
439.04132	2.3
440.04993	0.7
441.05585	0.9
443.07571	1.1
444.08398	1.4
451.04523	0.9
452.05060	0.5
453.05933	0.6
454.06763	0.9
455.07925	2.7
456.08600	2.5
457.05426	6.9
459.10632	2.4
465.05997	0.5
466.06931	1.5
467.04013	1.1
469.05014	2.6
471.07141	1.5
472.07941	1.8
479.20526	0.8
482.06293	1.4
483.07159	1.4
484.07648	1.2
485.04950	9.9
487.10291	4.0
497.08624	12.3
497.21539	1.2
499.06442	0.6
500.07486	3.4
515.09692	16.7
515.17371	0.9
516.10101	0.6
525.08105	0.5
543.09155	100.0
544.09692	3.5
561.10052	2.1
561.26440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
55.05492	4.7
57.07066	18.9
64.96274	0.6
67.05474	0.9
69.03417	0.8
71.62043	1.1
73.06538	0.5
81.03387	1.8
81.07046	1.2
85.02876	3.2
91.05477	1.0
93.07044	0.7
95.08588	1.2
97.02886	1.3
99.04463	0.6
105.01866	1.1
109.02885	1.1
109.10156	0.7
110.08385	0.6
121.02838	1.4
127.03876	1.9
128.64737	0.6
145.05060	0.9
149.02313	100.0
159.02934	0.6
159.08188	0.7
161.05943	1.9
167.03401	1.9
167.06990	0.8
168.67271	0.7
172.86162	0.6
175.07542	4.4
180.37820	0.6
196.68022	0.6
197.53885	0.6
203.07031	7.0
205.08568	10.1
220.35782	0.6
221.08113	1.5
228.17451	1.3
257.44321	0.6
277.14307	41.4
278.14749	0.6
295.15329	2.7
324.55002	0.7
331.08017	0.9
560.26367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.6
55.01866	5.1
55.05510	31.6
55.60456	2.3
57.03425	11.4
57.07059	4.3
59.46555	2.4
64.44478	2.7
65.03933	4.4
67.05495	92.7
69.07068	23.0
71.04036	7.0
71.04967	8.0
79.05482	96.7
79.05943	5.3
81.03401	10.0
81.07043	100.0
83.04969	12.8
83.08593	9.8
85.06532	6.8
91.05462	72.8
93.07032	97.2
94.86569	2.7
95.04960	25.1
95.08591	60.1
97.06516	7.4
97.10134	5.7
105.04483	2.4
105.07020	51.3
107.04947	8.4
107.08575	34.1
109.06494	7.7
109.10140	18.8
111.08030	2.9
117.06968	18.1
119.08560	37.8
120.39532	2.8
121.10126	16.9
123.08050	7.4
123.11697	3.7
125.09584	3.0
128.06190	4.0
129.06990	20.4
131.08531	21.1
133.10088	20.8
135.08000	3.5
135.11644	15.1
143.08583	14.3
145.10089	21.5
147.11681	37.8
149.13242	8.6
155.08591	5.2
157.10120	7.8
159.11710	16.6
161.09592	5.9
161.13284	17.2
163.14719	4.0
171.11655	28.3
173.13248	5.6
179.14301	3.3
183.11664	5.8
185.13229	7.6
187.14742	6.3
189.12718	8.1
197.13254	3.0
199.14761	3.2
207.13777	22.5
261.22052	15.6
275.48425	2.8
279.15924	7.9
281.17401	42.6
291.19550	3.4
301.39346	2.5
308.32245	2.8
335.25778	42.4
359.29791	2.5
467.34763	4.1
485.35953	4.1
527.37097	16.0
541.38873	48.2
542.38812	3.3
559.40057	17.6
559.99652	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.2
55.05505	25.2
57.03436	15.6
57.07052	5.5
59.65754	2.9
65.03934	9.3
67.05501	100.0
67.07568	2.7
69.07062	28.3
71.55571	6.1
79.05489	93.5
81.03393	9.5
81.07048	98.0
83.04964	12.3
83.08595	13.0
86.30697	3.1
87.08001	2.9
91.04928	5.5
91.05468	71.0
92.81708	3.0
93.07035	99.1
95.04958	20.4
95.08598	59.7
97.06499	4.4
97.10160	7.7
105.07025	46.7
106.07355	3.1
107.04928	8.8
107.08588	38.1
109.06528	5.5
109.10152	21.4
111.08004	3.3
117.06991	18.8
118.07324	3.1
119.08562	31.4
121.06499	4.9
121.10133	28.6
123.08050	4.6
123.11634	3.7
128.06197	4.5
129.06993	14.1
131.08569	20.8
133.10098	17.8
135.11670	13.2
136.29297	2.8
143.08513	13.1
145.10124	19.8
147.11687	37.9
149.13297	4.0
155.08467	4.2
155.32639	3.0
157.25650	2.9
159.11673	12.4
161.13289	18.1
171.11671	27.2
173.13177	4.1
175.14862	3.2
178.99173	2.9
183.11707	3.8
187.14839	4.3
189.12733	8.1
199.14767	3.5
204.30775	3.1
207.13800	16.6
235.34023	3.1
243.21211	3.7
261.21997	14.8
279.15735	7.4
281.17410	28.8
335.25766	56.4
457.51584	3.4
541.38855	71.3
542.39191	4.1
546.64008	3.7
559.40338	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.9
55.01857	3.9
55.05504	35.0
56.46567	2.6
57.03430	13.7
57.07053	4.2
65.03920	7.7
66.90536	2.8
67.05147	5.7
67.05496	100.0
69.03420	2.9
69.07059	26.4
69.25660	16.2
69.26087	14.8
71.04968	4.6
79.05032	5.7
79.05482	98.9
81.03407	6.5
81.07044	95.9
83.04978	15.1
83.08620	15.7
85.06522	3.3
91.05466	77.8
93.06444	5.0
93.07030	97.9
95.04950	23.6
95.08589	66.5
97.06511	5.9
97.10137	4.2
105.04485	2.9
105.07022	60.8
107.04945	8.2
107.08578	41.5
109.06494	6.3
109.10137	26.0
111.08036	5.3
117.07036	16.9
119.08556	38.7
121.06483	5.5
121.10118	26.4
122.13678	2.9
123.08060	7.5
123.11641	4.5
128.06148	3.3
129.06979	20.7
131.08537	19.8
133.10124	20.6
135.11685	17.9
143.08533	13.0
145.10094	22.5
147.11678	37.7
149.09622	3.4
149.13255	10.1
155.08524	4.6
157.10129	7.4
159.11699	14.0
161.09604	5.0
161.13254	14.9
163.14845	5.2
169.10138	7.7
171.11673	32.7
173.13234	8.7
175.14720	3.3
183.11638	3.3
185.13252	4.9
187.11127	4.2
187.14830	5.0
189.12723	8.3
199.14796	4.0
207.13765	28.9
211.04765	2.7
226.68602	2.9
243.21106	4.2
259.20471	3.3
261.22147	14.6
279.15854	7.6
281.17447	36.1
335.25775	67.4
349.51044	2.7
467.34842	4.5
541.38928	88.0
542.38721	4.4
559.40039	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01863	10.8
55.05500	30.2
57.03419	17.7
57.07055	4.1
65.03923	5.4
67.05491	81.8
68.99029	2.1
69.07054	22.2
69.90860	11.3
69.91267	4.3
71.04977	8.2
75.50308	2.4
77.03890	2.8
79.05477	72.2
81.03397	14.1
81.07040	82.5
81.62183	2.1
83.04978	10.4
83.08596	19.6
84.35110	2.1
85.06521	9.9
91.05460	73.8
93.06430	4.5
93.07024	93.6
95.04951	29.6
95.08586	70.0
97.02883	4.4
97.06529	11.3
97.10133	6.0
98.21498	2.4
99.04433	2.9
99.08051	4.9
103.05463	3.2
105.06333	4.7
105.07005	69.2
107.04929	22.4
107.08573	65.1
107.18522	2.4
109.06507	18.5
109.10131	14.6
111.08066	8.7
113.05987	12.4
115.05439	4.6
117.03117	2.4
117.06991	29.6
119.08558	59.2
121.06484	7.2
121.10125	36.8
123.08044	6.2
123.11702	5.9
125.05959	3.2
125.09613	3.5
128.06233	3.4
129.06950	12.4
131.08530	33.6
133.06410	4.2
133.10100	45.1
135.08041	16.1
135.11658	56.0
143.08542	14.0
145.06480	2.5
145.10085	45.7
147.11652	39.9
149.09627	8.0
149.13287	12.8
151.11160	3.7
155.06909	2.7
155.08484	5.3
157.10106	14.7
159.08008	2.3
159.11656	15.6
161.09581	5.5
161.13213	29.1
163.11148	56.6
163.14801	4.4
169.10017	3.6
171.11668	7.3
173.09534	2.5
173.13182	14.6
175.11182	4.3
175.14792	11.7
177.12639	2.6
181.12166	11.7
181.23248	2.5
183.11783	2.3
185.13223	10.0
187.14771	3.9
193.12170	4.4
195.11661	2.4
197.13214	2.8
199.14836	4.8
202.58832	2.2
213.16333	4.5
215.17928	3.4
217.15971	5.0
225.42548	2.3
227.12733	100.0
231.21005	6.4
241.19431	29.3
259.20541	67.8
267.15909	4.3
269.17517	3.7
273.18417	10.4
275.19965	14.0
277.21735	2.3
283.15347	44.8
291.19547	23.8
315.23129	7.6
333.24191	59.5
334.24844	2.5
347.22302	2.9
349.23666	3.9
375.76718	2.3
449.30963	2.5
479.61948	2.2
541.35156	29.4
559.36285	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59756	0.2
62.07885	0.2
66.04179	0.2
72.13300	0.3
73.54689	0.2
74.59315	0.2
74.61086	0.2
78.65087	0.2
91.97868	0.2
97.02850	0.4
97.06484	0.3
141.05482	0.3
177.05470	0.5
287.06900	0.3
303.06595	0.4
307.05856	0.3
319.02512	0.4
319.06042	0.4
327.06519	0.6
329.04422	2.1
329.07837	0.4
330.05060	0.6
331.02405	0.4
331.06128	0.8
341.04535	0.5
342.05298	1.1
343.06033	0.4
344.02960	0.3
345.03964	0.9
345.07748	0.4
347.05502	0.6
348.06137	0.3
353.04425	0.4
354.05234	0.4
355.02463	0.4
355.05966	1.1
356.06607	0.5
357.07379	0.6
358.04684	0.7
359.05548	0.5
363.08759	1.2
367.05887	0.6
368.03040	0.4
370.04620	0.7
371.05557	0.7
373.03403	0.8
373.07516	0.4
375.04953	0.6
376.05664	0.7
377.06424	0.3
381.03711	0.3
382.04660	0.3
383.05368	1.4
384.06165	0.4
385.07150	0.8
386.04214	0.5
387.05084	0.7
391.08038	2.7
394.04810	0.5
395.05634	0.4
398.04147	1.4
399.05096	0.9
401.06854	1.2
403.04425	1.0
404.05267	3.1
405.05951	1.8
409.03082	0.4
411.04947	1.7
412.05872	1.0
413.06595	3.3
414.03406	0.4
415.04440	0.9
418.06860	0.4
419.07602	0.8
420.56915	0.3
422.03949	0.6
427.03989	0.5
427.08859	0.5
429.06049	4.4
431.03973	4.6
434.09912	7.0
435.10538	0.4
437.02298	0.4
439.04382	3.4
440.05051	0.8
441.06009	7.6
443.03708	3.0
455.02975	0.4
455.08249	0.6
457.05496	12.5
458.05917	0.4
459.10947	0.5
461.08661	2.1
467.03958	3.4
469.09314	0.9
470.10071	0.5
471.06433	0.4
471.11646	0.3
472.07697	0.5
473.08563	1.0
481.05890	0.3
485.04953	14.2
486.05408	0.6
487.10165	6.0
497.08505	0.7
499.06613	1.2
500.07318	0.5
501.04736	0.6
515.09711	5.2
529.03986	16.6
530.04486	0.5
543.05621	1.5
544.06549	0.7
559.08643	100.0
560.08997	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.3
51.58432	1.6
53.03939	16.3
55.01861	8.7
55.05236	2.2
55.05502	30.3
57.03409	5.0
57.07042	3.6
59.39847	1.5
65.03919	5.3
66.61304	1.8
67.05495	98.0
69.03410	3.6
69.07055	19.5
69.51727	9.0
69.52152	5.4
71.04971	4.9
71.08605	2.7
79.05486	73.7
81.03402	27.2
81.07044	98.7
83.04964	10.3
83.08611	8.8
85.02876	2.1
85.06513	3.8
91.05466	58.8
93.07031	82.9
95.01299	2.7
95.04960	21.1
95.08595	63.9
97.06511	7.1
97.10136	8.4
99.08109	2.0
103.05475	2.8
105.07011	41.8
107.04942	28.2
107.08580	40.1
107.09225	1.2
109.06488	9.7
109.10137	28.6
111.08041	5.5
115.05460	3.2
116.06140	1.6
117.07008	28.9
119.04914	3.1
119.08562	25.3
121.06505	9.5
121.10120	24.6
123.08056	12.8
123.11667	4.6
125.09618	4.7
128.06142	3.0
129.06970	10.3
131.08551	35.5
133.06514	3.7
133.10117	20.9
135.08009	5.0
135.11681	23.0
137.09602	4.1
139.11165	2.9
141.06963	9.2
142.07809	2.0
143.08521	13.9
144.09235	2.0
145.06462	11.1
145.10107	21.9
147.11671	10.6
149.09636	3.1
149.13249	14.0
153.12680	1.8
154.07791	2.4
155.08513	8.2
157.10107	11.4
159.08069	3.8
159.11673	26.6
161.09543	1.8
161.13225	7.5
163.14839	1.8
167.08524	3.0
169.10123	12.7
171.11656	10.5
173.11923	2.4
173.13210	9.6
175.11205	2.0
175.14810	3.1
177.12733	10.7
181.10066	3.9
183.11659	4.6
185.13220	4.4
187.11147	14.5
187.14781	6.1
195.11703	4.0
195.13791	7.4
197.13219	3.9
199.14748	3.7
205.12218	6.9
209.13237	3.2
211.14873	2.8
213.16216	1.9
223.13190	22.1
224.13786	1.8
225.16287	3.4
229.14409	2.7
235.14644	2.1
241.14330	19.8
243.21057	3.6
259.17044	1.7
261.22104	13.8
279.15863	61.6
297.16904	6.2
297.22055	2.1
311.23648	2.8
313.25073	2.8
315.23346	3.2
353.24832	2.3
407.47556	1.8
437.34119	3.4
447.32507	3.8
465.33310	10.3
483.34433	8.5
501.35806	1.9
529.38684	2.4
539.37292	30.5
552.04742	1.9
557.38257	100.0
558.38721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01865	5.3
55.05506	25.7
56.54855	1.6
57.03434	9.6
57.07058	4.7
60.05267	1.8
62.48852	1.5
65.03932	3.3
67.05496	43.1
67.21891	1.5
69.03445	1.8
69.07062	19.0
69.36667	17.4
70.53780	1.4
71.04990	2.3
79.05485	36.8
81.03416	2.6
81.07049	48.0
83.04980	4.8
83.08616	10.3
85.06561	1.6
91.05468	40.7
93.07032	39.7
93.07589	2.3
95.04965	9.3
95.08596	32.3
97.06535	5.5
97.10181	4.9
99.08064	2.2
103.05459	3.3
105.07018	36.4
107.04957	4.6
107.08594	20.9
109.06512	3.6
109.10172	11.9
111.08050	2.5
115.05422	1.9
117.07000	21.7
119.08557	28.6
121.06493	3.3
121.10118	15.7
123.08012	3.0
123.11674	2.8
128.06258	7.5
129.06995	19.7
131.08562	36.5
133.06555	1.5
133.10129	21.6
135.08093	2.6
135.11664	10.8
137.09654	2.6
141.06982	9.8
142.07782	4.9
143.08536	29.7
145.06459	2.2
145.10127	29.3
147.08047	1.9
147.11653	13.3
149.09651	2.4
149.13248	4.1
153.06981	3.3
154.07758	2.3
155.08554	20.3
156.09300	3.9
157.10114	26.7
159.08087	1.9
159.11661	19.3
161.09607	3.1
161.13268	11.3
163.11162	2.9
165.07033	2.0
165.92908	1.7
167.08574	9.7
168.09360	2.6
169.10124	24.0
171.07962	2.0
171.11667	30.7
173.09544	2.2
173.13225	15.2
175.11172	2.6
175.14862	6.8
177.12846	3.2
179.08632	5.0
181.10089	18.4
182.10939	2.5
183.08064	1.9
183.11690	22.8
185.13226	17.6
187.11179	3.5
187.14856	5.7
189.12794	4.8
189.16435	2.0
193.10196	4.9
195.11673	11.5
197.13226	18.0
197.14633	1.5
199.11227	2.7
199.14828	10.8
201.16348	3.3
203.14317	1.9
205.10226	1.7
207.11697	5.1
207.13661	3.4
209.13251	8.7
211.11185	1.9
211.14847	7.6
213.16376	11.5
221.13258	4.3
222.13916	1.9
223.14844	7.3
225.16438	4.7
233.13301	3.1
235.14865	5.1
237.16469	3.5
239.18031	2.9
241.19502	6.2
247.17018	2.2
251.18115	2.0
253.15781	1.9
253.19850	1.7
257.19003	3.1
259.20514	11.5
275.20285	2.3
279.16034	4.4
279.21191	2.0
281.17633	7.0
284.76868	1.6
311.20358	2.4
311.23804	3.1
313.21530	1.9
321.21811	2.0
323.19952	2.1
323.23672	3.8
325.21786	2.3
327.23236	1.7
333.24319	6.2
335.23700	2.8
347.23495	2.3
349.25226	4.1
353.24756	3.1
379.26404	2.2
419.33182	3.8
429.31223	7.6
437.34143	14.6
447.32541	31.2
455.35660	2.1
465.33594	29.5
483.34628	22.5
503.34671	2.3
521.36151	9.9
527.37274	3.9
529.38770	9.7
539.37238	100.0
540.37762	4.7
557.38373	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.01859	4.0
55.05245	2.2
55.05499	29.7
57.03419	6.1
57.07061	7.5
59.05006	2.1
65.03929	3.0
67.05492	67.1
69.03416	2.1
69.07055	18.4
71.04981	3.8
71.08609	4.3
71.60653	3.0
74.64302	1.9
79.05478	47.9
80.90903	1.9
81.03414	13.0
81.07041	53.2
83.04971	6.3
83.08604	12.4
85.02927	2.1
85.06522	4.5
89.05999	2.8
91.05465	42.0
93.06445	2.7
93.07029	50.9
95.04938	16.7
95.08591	32.0
97.06515	6.4
97.10160	7.2
103.05489	2.5
105.07014	32.4
107.04939	12.5
107.08572	22.2
108.43365	1.7
109.06511	4.5
109.10139	23.1
111.08060	2.4
117.06991	18.3
119.08563	20.1
120.03680	1.6
121.06497	4.6
121.10129	17.3
123.08054	3.6
123.11740	2.8
125.09634	5.6
129.06992	11.6
131.04951	1.9
131.07642	3.4
131.08542	23.8
133.06494	2.2
133.10095	13.7
135.08020	3.8
135.11700	10.9
137.09537	1.9
140.13866	1.7
141.06966	4.2
142.07787	2.1
143.08537	10.6
145.06461	2.4
145.10075	17.8
147.11670	9.8
149.09599	3.2
149.13263	7.1
151.11157	2.3
155.08559	4.9
156.09258	1.8
157.10124	7.3
159.11705	12.9
161.09521	2.3
161.13275	6.6
163.11186	3.1
167.08533	3.3
169.10098	9.3
171.11702	8.4
173.13304	7.3
175.14825	2.4
177.12758	3.6
181.10112	2.8
183.11627	5.5
184.91418	1.7
185.13281	4.9
187.11188	5.2
187.14825	6.3
189.11273	3.7
195.11743	2.9
197.13228	3.8
199.14882	2.4
205.12274	5.8
209.13277	2.8
211.14938	2.5
214.66699	1.7
223.13203	30.5
227.12791	4.0
261.22208	3.4
277.21487	2.6
279.15952	3.9
287.20044	2.0
306.68436	2.0
313.27441	3.4
315.23026	2.9
322.75552	1.9
329.24799	2.3
335.25885	2.4
338.19986	1.8
397.19077	2.1
437.33948	2.2
447.32578	7.7
465.33673	8.9
483.34634	6.1
521.36487	4.1
539.37231	27.8
557.38318	100.0
558.39032	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.8
53.03936	4.6
53.14709	0.8
55.01865	3.4
55.05243	1.2
55.05504	18.2
57.03428	4.9
57.07055	2.3
65.03935	2.3
67.05138	1.9
67.05493	36.7
69.03438	0.9
69.07055	14.3
70.76662	2.6
70.77016	1.0
71.04987	2.5
79.05480	26.3
81.03392	2.4
81.07042	35.0
83.04978	4.3
83.08604	9.6
85.06526	3.0
91.05464	24.7
93.07030	28.4
95.04951	5.1
95.08590	24.7
97.06523	3.6
97.10151	4.8
99.08135	1.7
105.07011	25.3
107.04943	3.8
107.08577	16.9
109.06511	3.5
109.10134	10.0
111.08060	2.1
115.05438	2.0
117.06999	13.1
119.08567	24.8
121.06511	2.2
121.10122	8.6
121.49534	0.8
123.08054	3.9
123.11685	2.4
125.09598	2.3
128.06232	3.9
129.06990	18.1
130.07750	1.5
131.08542	27.2
133.10114	15.4
135.08080	2.2
135.11667	6.3
137.09663	1.3
141.06955	5.6
142.07784	4.0
143.08534	22.4
144.09337	0.8
145.06450	1.9
145.10101	26.0
147.08066	2.9
147.11662	15.4
149.09605	1.1
149.13220	4.0
153.07025	1.5
154.07712	2.0
155.08527	17.6
156.09328	1.3
157.10101	20.4
159.08131	1.3
159.11662	16.7
161.09628	2.7
161.13243	9.5
163.11198	1.5
163.14815	1.9
165.06926	1.8
166.07832	1.7
167.08569	6.6
168.09311	1.4
169.10101	20.2
171.08101	1.2
171.10205	1.2
171.11658	21.1
173.09554	1.7
173.13226	11.2
175.11111	1.2
175.14813	4.3
177.12741	1.9
179.08533	2.8
180.09283	1.7
181.10083	11.4
182.10876	2.5
183.11670	16.2
185.09608	1.8
185.13234	15.4
187.11189	2.5
187.14812	5.5
189.12697	2.1
191.14325	1.3
193.10114	3.5
195.11662	12.6
195.13387	1.5
197.13231	13.4
199.14783	8.6
200.47540	0.9
201.16386	2.6
205.12254	0.9
207.11717	3.6
207.13811	4.3
209.13200	7.9
210.14088	1.0
211.11211	1.2
211.14790	8.5
213.12834	1.8
213.16333	9.0
215.17935	1.9
221.13263	3.2
223.14915	5.2
225.12785	1.1
225.16444	3.9
227.17999	1.6
231.17455	1.2
231.21017	1.2
233.13278	1.6
235.14839	2.6
235.16998	1.3
237.16367	2.9
239.17955	2.0
241.19527	6.3
243.21053	1.0
247.16933	3.2
251.18076	2.0
255.17441	1.1
257.19028	1.9
259.20499	11.0
263.17917	1.5
267.17374	1.5
271.16879	1.2
273.18491	0.9
277.21741	2.3
279.16019	3.7
279.21005	1.3
281.17352	8.0
281.22479	1.3
283.20651	1.0
287.20245	1.4
293.19101	1.9
295.20471	2.1
297.22076	2.2
299.20050	1.9
299.23703	1.2
309.22287	1.4
311.20142	1.8
311.23584	1.4
313.21631	1.8
313.24991	1.4
315.23117	2.6
321.22195	1.7
323.23779	3.8
325.21503	2.2
325.25174	1.3
327.23239	1.2
333.24429	4.3
335.23730	2.9
337.25192	2.1
339.23172	2.0
341.24854	2.5
349.25253	1.9
351.23090	1.2
353.24582	2.5
355.26093	1.0
363.26959	1.6
365.24796	1.5
367.26355	1.5
419.33051	4.5
429.31393	5.6
435.32736	1.3
437.34079	13.6
447.26343	1.2
447.32538	25.5
455.35349	1.6
465.33624	27.3
466.33755	1.5
483.34723	17.5
484.34964	1.3
485.34711	1.2
493.36844	1.5
501.36203	2.1
503.35083	2.1
511.37665	2.6
521.36005	10.7
527.36969	1.5
529.38629	7.1
539.37250	100.0
540.37451	5.4
557.38293	54.9
558.38641	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	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72312	2.2
53.03926	2.5
55.01849	3.0
55.05504	20.2
57.03423	5.3
57.07058	4.3
65.03928	3.4
67.05499	46.5
68.22443	1.9
69.07057	16.0
69.41589	14.0
69.42015	5.5
71.04980	4.0
79.05482	37.6
81.03414	5.4
81.07043	45.7
83.04976	6.1
83.08597	8.6
85.06564	2.7
85.10155	2.2
91.05466	43.7
93.07037	35.3
95.04972	11.4
95.08603	34.9
97.06525	5.5
97.10158	6.9
99.08082	2.8
103.05492	2.9
105.07021	32.7
107.04955	6.4
107.08582	20.0
109.06470	4.2
109.10138	10.7
111.08081	2.1
117.07008	19.3
119.08565	30.9
121.06455	4.5
121.10146	13.2
123.08052	5.9
123.11687	3.0
125.09638	2.7
128.06154	3.6
129.06976	13.7
131.08546	31.2
133.10106	16.1
135.08051	2.0
135.11676	10.4
141.06981	6.4
142.07761	6.2
143.08546	21.5
145.10104	24.4
147.11658	13.4
149.13249	4.5
155.08525	19.9
156.09297	2.4
157.10100	19.7
159.08017	3.5
159.11691	18.9
161.09639	3.3
161.13243	9.5
163.11249	3.0
163.14859	2.0
165.07001	2.3
167.08638	5.7
169.10098	19.9
171.11676	21.5
173.09624	2.1
173.13278	16.4
175.14859	2.5
177.12730	2.6
179.08539	3.6
180.09367	2.5
181.10104	15.2
182.10854	2.5
183.11674	20.2
185.13287	16.8
187.11174	4.6
187.14761	3.5
194.10878	2.1
195.11705	13.3
197.13293	15.6
199.14786	5.6
201.16370	3.2
207.11635	3.6
207.13770	3.6
209.13252	10.2
211.14809	10.3
213.16356	8.9
221.13261	3.0
223.13091	5.2
223.15056	3.1
225.16399	4.7
235.14778	5.8
237.16408	5.1
239.17928	2.6
241.19485	3.3
249.16241	3.0
259.20563	6.6
261.22238	3.8
270.31479	2.2
279.15857	5.6
279.21115	2.0
281.17523	4.8
283.20486	2.6
287.20093	2.4
293.18790	2.8
297.22025	3.0
299.23599	2.2
304.50803	2.1
309.86118	2.1
311.19763	2.2
333.24197	3.2
335.23917	2.7
337.05875	2.1
341.74780	2.0
349.24753	2.3
353.24588	3.0
367.26553	3.1
419.33002	5.8
429.31339	4.4
437.34012	15.5
447.32474	20.9
465.33643	31.2
483.34689	19.5
501.36215	2.7
521.35974	7.7
529.38782	7.1
539.37280	100.0
540.37494	4.2
557.38251	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01872	3.9
55.05237	1.5
55.05502	22.4
57.03427	7.6
57.07061	3.3
59.05001	1.0
65.03936	2.7
67.05496	46.2
69.03397	2.0
69.07056	16.5
71.04977	4.5
71.08643	0.9
71.60382	0.8
73.06547	0.9
79.05481	37.0
81.03396	4.8
81.07043	47.3
83.04974	6.1
83.08613	10.2
85.02903	0.7
85.06544	3.9
86.03688	0.7
89.98347	0.8
91.05466	39.2
93.07030	39.0
95.04948	7.9
95.08590	32.2
95.09205	1.5
97.06503	4.9
97.10151	6.5
99.08080	1.2
101.05997	0.9
103.05419	1.6
105.04514	1.8
105.07013	40.5
107.04934	6.6
107.08573	19.8
109.06518	4.0
109.10135	11.8
111.08080	3.5
115.05444	2.8
115.19916	0.7
116.06228	0.8
117.07010	17.9
119.08561	30.9
121.06497	3.4
121.10124	15.2
123.08055	4.5
123.11690	2.3
125.09603	2.0
126.73440	0.8
128.06177	5.2
129.06979	19.8
130.07774	2.4
131.08543	31.6
133.06480	2.2
133.10109	17.9
133.11032	1.3
135.08046	3.0
135.11656	8.6
137.09615	2.3
139.11105	0.7
141.06960	8.9
142.07761	4.5
142.12636	0.7
143.08534	24.3
144.09306	0.8
145.06438	4.1
145.10104	28.1
145.11246	1.6
147.08066	3.6
147.11667	17.8
149.09625	3.3
149.13222	5.4
151.11134	1.4
153.06979	1.8
154.07750	2.3
155.08528	19.9
156.09338	2.8
157.06506	1.4
157.10101	20.7
159.08032	2.1
159.11667	19.9
161.09593	2.8
161.13228	10.2
161.15349	0.8
163.11183	2.2
163.14828	1.7
165.06966	2.2
166.07794	2.0
167.08537	10.3
168.09315	2.2
169.10098	27.1
169.11487	1.3
170.10831	1.6
171.08083	1.7
171.11653	22.9
173.09650	2.4
173.13223	11.2
175.11160	2.0
175.14796	4.3
177.12726	1.9
179.08463	4.2
180.09325	2.1
181.10086	16.9
182.10902	1.4
183.11671	22.9
185.09631	2.3
185.13222	15.6
187.11150	2.3
187.14777	4.9
189.12724	3.1
189.16389	1.3
191.08574	1.7
193.10141	5.0
194.10921	1.3
195.11671	12.9
195.13631	1.2
196.12393	1.5
197.09738	1.0
197.13228	15.2
197.14940	1.2
199.11163	1.8
199.14799	8.1
201.12762	1.0
201.16333	2.6
205.10268	1.3
205.12083	1.2
205.15796	1.4
207.11693	4.8
207.13821	3.8
208.12338	1.2
209.13289	9.9
209.15215	1.1
211.11053	1.2
211.14798	10.6
213.12752	1.7
213.16365	9.5
215.14348	1.8
215.18001	1.0
217.19490	0.9
219.11674	2.8
219.17516	0.9
221.13190	3.8
222.14009	1.0
223.14838	6.7
225.16409	4.1
227.14474	1.1
227.17949	1.5
229.16125	1.0
231.17352	1.3
231.21098	1.3
233.13326	1.5
233.15460	1.9
234.14336	0.8
235.14836	2.8
235.16962	1.3
237.12628	1.2
237.16359	4.1
239.14267	1.0
239.17976	2.6
241.19467	8.1
247.14697	1.4
247.17003	1.7
249.16344	2.1
251.17970	3.0
253.19502	2.1
253.40462	0.8
255.17624	1.3
257.19019	2.8
259.20496	11.3
261.22244	1.4
263.17798	0.9
265.19733	0.9
269.19177	0.9
269.22684	1.1
271.16910	1.1
271.20486	1.2
273.18652	1.6
277.19278	1.1
279.15732	4.9
281.17300	8.6
281.22479	0.9
283.20676	1.1
287.20187	1.0
289.17917	1.2
293.19006	1.3
295.20584	1.8
297.18442	0.8
297.22159	1.9
299.23828	1.2
307.20538	2.0
309.21945	1.0
311.20291	1.7
311.23654	1.5
313.21515	1.8
315.23160	1.8
321.22137	3.0
323.23779	2.6
325.21698	1.2
325.25378	1.0
327.23071	1.7
329.25052	0.9
331.22775	1.1
333.24313	4.9
335.23727	3.2
337.25284	1.8
339.23151	2.7
341.24915	2.3
349.25198	2.5
353.24619	2.6
361.25299	0.8
365.24469	1.2
367.26288	1.7
371.25842	0.9
379.26172	1.1
419.33035	2.9
429.31647	5.5
435.32483	0.9
437.34192	11.0
438.34393	1.2
447.32568	28.2
465.33685	27.8
466.34106	1.9
467.64508	0.8
483.34656	18.0
484.35425	1.1
485.34213	1.9
501.35556	2.7
503.35013	2.5
511.37680	1.2
521.36298	8.4
527.37250	1.8
529.38953	8.2
539.37262	100.0
540.37341	3.8
557.38422	49.0
558.38696	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	557.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.1
53.03925	4.5
55.01855	6.1
55.05503	30.1
55.83694	1.4
57.03418	7.0
59.04994	1.7
65.03932	2.7
67.05495	41.7
68.99751	4.6
69.03405	5.2
69.06741	1.6
69.07058	18.8
70.69418	3.0
70.69749	1.4
71.04974	3.2
74.09671	1.4
74.32594	1.5
77.03911	1.7
79.05022	2.7
79.05480	42.0
81.03403	15.2
81.07044	39.1
83.04963	7.5
83.08601	16.2
85.06538	2.3
86.28375	1.4
91.05465	44.4
93.06440	1.8
93.07030	31.1
94.04188	1.6
95.04948	14.7
95.08588	19.4
97.02863	3.3
97.06524	6.4
97.10158	20.9
98.20817	1.3
103.05452	4.9
105.03425	1.6
105.07017	29.1
107.04948	14.0
107.08572	20.2
108.05716	2.8
109.02849	4.4
109.05826	2.3
109.06497	20.7
109.10136	9.4
111.04442	1.9
111.08024	2.8
113.06023	2.1
115.05441	4.7
117.07011	20.2
117.43530	1.5
119.04903	1.8
119.08562	23.7
120.61253	1.3
121.06476	5.2
121.10098	8.9
123.04429	2.0
123.08050	3.8
123.11670	3.9
125.05984	2.9
125.09619	13.8
128.06239	4.4
129.06985	13.4
130.07794	1.9
131.04916	4.1
131.08549	27.3
133.06476	4.7
133.10115	19.4
135.04387	1.8
135.08043	7.3
135.11678	4.3
137.05960	35.3
137.09602	2.3
139.07498	4.2
141.06912	9.4
142.07755	3.0
143.08546	16.3
145.06442	4.9
145.10095	21.1
147.08031	4.7
147.11662	9.3
149.05936	2.5
149.09557	3.7
149.13263	1.8
151.11153	2.6
152.06105	1.4
153.06978	4.1
153.09099	3.3
155.07030	6.3
155.08539	11.7
157.06464	1.8
157.10088	13.7
159.08031	3.9
159.11679	11.9
161.06009	2.0
161.09618	5.3
161.13206	4.4
163.11179	6.1
165.06961	5.0
165.09074	1.4
166.07719	2.3
167.07027	100.0
167.08472	5.7
168.07355	2.9
169.06445	2.5
169.10080	9.7
171.08035	5.8
171.10291	2.5
171.11662	11.1
173.09650	3.8
173.13167	6.8
175.11208	4.2
175.14900	1.2
177.05473	2.4
177.12698	1.4
178.07730	1.5
179.07007	2.2
179.08434	2.3
180.09338	1.8
181.08650	2.4
181.10117	5.8
182.10606	1.6
183.08049	4.5
183.11641	7.7
185.09578	5.2
185.13196	6.7
187.11191	3.3
187.14761	2.9
189.09177	1.9
189.11160	7.0
189.12746	2.4
193.10280	2.3
193.12230	4.6
195.08069	1.7
195.11699	5.1
197.09566	2.1
197.13261	5.1
199.11229	2.5
199.14807	4.8
201.12729	3.3
207.11734	2.0
209.09592	4.8
209.13219	4.1
211.07585	7.1
211.11139	3.1
211.14835	3.5
213.09091	7.2
213.12764	3.0
213.16301	1.8
219.11821	1.8
219.13698	2.2
221.13268	2.3
223.07605	2.1
223.13127	1.7
225.09048	3.5
225.12791	3.0
227.12776	5.6
227.17979	1.6
233.13258	2.1
235.07561	3.1
235.14665	2.3
237.09082	8.0
237.12724	1.4
239.17900	2.8
241.08629	1.8
247.14725	1.7
257.19025	5.0
259.20560	3.2
261.16486	1.9
267.21460	1.4
271.16852	2.5
273.18478	8.1
275.20157	8.1
281.13864	4.7
283.20322	1.6
285.22244	6.5
287.20053	3.4
289.17935	2.0
291.19467	14.4
295.20581	2.8
297.18427	1.9
309.18585	1.6
311.20007	1.9
313.21585	15.3
315.23264	2.6
321.22220	1.8
323.19943	1.5
327.22852	1.7
339.19748	1.7
339.23599	1.8
349.22165	1.5
353.21118	1.8
359.12833	2.9
377.13861	5.6
391.15332	27.1
392.16089	2.2
401.28159	2.4
403.15561	2.5
419.29297	8.0
429.27597	4.5
437.30630	6.6
447.28928	16.7
455.31689	2.8
465.29968	35.5
473.31836	2.0
473.85068	1.7
483.30939	19.1
493.33139	1.7
503.31403	2.4
511.34164	13.4
513.35547	3.8
521.32715	4.4
529.35114	28.0
530.35364	2.2
539.20850	2.7
539.33588	52.8
557.34613	77.6
558.34955	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	557.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01871	2.3
55.05503	9.4
57.03425	3.0
57.07067	4.3
61.02910	1.9
61.37019	1.1
65.03934	1.8
67.05500	13.0
68.99769	1.8
69.03423	14.7
69.07061	13.2
70.08591	1.3
71.04973	3.1
71.61776	1.4
73.02905	1.8
79.05473	11.1
81.03404	16.3
81.07052	27.0
83.04970	5.2
83.08614	6.6
85.02889	16.3
87.00822	4.3
89.03896	6.3
91.05470	8.2
93.07040	14.8
94.83658	1.1
95.04939	5.3
95.08600	21.7
97.02878	24.7
97.06517	3.6
97.10157	5.0
99.04438	4.8
105.01862	1.9
105.07012	9.5
107.04945	2.8
107.08582	13.2
108.54390	1.1
109.02863	13.1
109.06500	2.7
109.10148	14.0
111.04419	3.5
111.08025	2.0
111.11681	2.8
113.06026	1.3
117.03368	17.6
117.07015	1.4
119.08562	6.9
121.06502	2.3
121.10124	8.0
123.04476	2.5
123.08099	1.9
123.11701	5.7
125.09618	2.1
127.03904	13.6
129.01881	1.5
129.05437	3.0
129.06966	1.9
131.08536	2.3
133.10127	5.6
135.04381	2.5
135.11681	7.0
137.05952	4.0
137.09605	1.4
137.13190	2.4
142.42644	1.3
142.43822	1.3
143.08540	2.5
145.02834	42.8
145.04823	1.8
145.10133	3.4
146.03233	1.7
147.04420	2.2
147.11690	4.8
149.05954	7.5
149.09633	1.4
149.13216	6.6
151.14816	1.7
155.08461	1.6
157.10106	2.1
159.02873	1.5
159.07986	1.9
159.11700	1.9
160.62354	1.2
161.09550	1.4
161.13237	3.4
163.11174	1.9
163.14819	3.9
165.12740	2.0
167.03400	4.4
169.10118	1.5
171.11653	1.4
177.05449	100.0
178.05893	4.0
185.09616	1.4
215.17967	1.5
217.19533	1.4
219.06364	1.3
225.09206	1.3
231.05005	3.6
245.08078	2.1
273.18442	2.3
273.25696	8.9
275.19907	2.0
291.08575	3.8
291.19504	1.8
291.26715	9.8
309.27707	6.9
315.04752	1.5
333.27914	1.8
371.11304	2.9
375.29037	1.9
389.93848	1.3
417.30069	1.8
521.31573	2.7
523.75403	1.2
539.32861	2.6
557.14160	1.7
557.33960	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	557.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56935	0.3
52.92163	0.5
53.03924	0.4
55.01861	0.4
57.56424	0.4
61.71816	0.3
69.03416	0.9
69.07037	0.5
69.27636	2.5
69.28058	1.6
70.06577	0.4
77.03971	0.5
79.05464	0.6
81.03390	1.2
81.07030	0.8
84.08140	0.4
85.02882	1.4
87.00793	0.4
89.03930	0.5
91.05475	1.3
93.03380	0.5
93.07011	0.7
95.04949	0.6
95.08602	0.5
97.02885	3.0
97.06512	0.6
98.20668	0.8
103.05429	0.5
107.04957	0.8
109.02841	0.7
109.06432	0.5
109.10152	0.6
111.57535	0.4
117.03370	1.2
119.04946	0.8
121.06529	0.7
127.03893	1.1
133.06497	0.6
133.10124	0.5
133.26289	0.4
135.04395	0.7
136.05302	0.5
137.05997	0.6
145.02832	4.0
147.04434	2.0
149.05966	1.3
151.03879	0.6
151.07535	2.0
153.05411	0.5
161.05945	0.4
161.13268	0.4
163.03893	1.5
163.07454	0.4
164.04669	0.4
165.05371	0.5
167.07037	1.5
169.09755	0.6
177.05458	11.1
178.06265	2.2
179.06976	3.1
181.08641	1.1
191.07001	1.6
193.04916	0.6
194.09395	2.4
195.06564	0.6
205.04912	1.1
213.05423	0.4
225.05440	0.4
227.07103	0.8
241.04974	0.8
242.05605	0.5
253.05038	0.4
255.06642	0.5
257.04422	0.6
269.04477	0.8
295.05774	0.6
297.04092	0.6
298.04483	0.4
301.07178	1.0
312.06281	1.0
325.03363	0.5
329.06479	0.7
333.07544	0.5
345.07339	0.6
349.06931	0.9
361.07074	1.0
362.07892	0.6
373.07043	0.6
387.08612	0.7
389.06378	1.7
390.07098	0.9
391.08130	0.7
401.06393	1.5
402.07138	0.6
403.08197	0.6
405.09787	1.3
415.08282	1.2
416.08856	0.6
417.05920	1.6
417.10678	0.5
418.06790	1.2
419.07501	1.7
427.08313	0.6
429.05865	5.2
431.07242	0.8
433.09180	7.9
434.09845	0.5
443.07858	1.2
444.08194	0.5
445.09225	0.8
447.07132	1.6
447.11920	0.7
448.11282	1.3
449.12244	1.5
459.10583	1.2
461.08618	25.6
462.08810	0.6
463.09943	1.1
475.10236	1.7
476.10931	1.7
477.11850	3.8
491.13538	9.3
509.14389	100.0
510.14624	2.7
513.46594	0.4
521.14557	0.6
539.15167	3.4
557.19733	1.2
557.28674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.2
53.03953	0.2
55.01868	0.4
55.05507	0.7
57.03432	0.4
61.02926	0.7
63.02392	0.5
65.03927	0.9
67.05498	0.4
68.99785	0.4
69.03424	3.8
69.03784	0.3
70.06989	0.8
71.01354	0.2
75.95703	0.1
76.03278	0.1
78.04718	0.2
78.92088	0.2
79.05495	0.2
81.03405	1.0
83.01307	0.2
83.04974	2.0
85.02900	2.1
87.00813	1.0
87.04463	0.2
89.03903	6.7
91.05470	0.7
93.03391	1.0
93.07023	0.2
95.04977	0.3
95.08591	0.2
97.02881	18.2
97.06506	0.3
99.04446	0.3
103.03947	0.2
103.05484	0.3
105.01846	0.5
106.04201	0.4
109.02890	0.7
111.04442	2.5
115.03923	0.2
117.03366	19.1
121.02900	0.4
123.04422	0.3
124.05161	0.2
125.02325	0.2
125.05987	0.2
127.03894	1.3
128.06178	0.1
128.83394	0.2
129.01819	0.8
129.05457	2.3
129.06992	0.7
131.04933	0.3
134.03607	1.2
135.04417	1.4
137.02350	0.4
137.05980	0.5
139.03894	0.3
141.07007	0.2
145.02831	46.7
146.03140	0.5
147.02921	0.3
149.02359	0.8
149.05965	6.2
151.03899	0.5
155.04785	0.2
157.06456	0.9
158.05998	0.3
161.06012	0.2
162.03139	0.2
163.03896	0.5
167.03406	4.1
167.04823	0.4
169.05009	0.2
169.06464	0.4
177.05447	100.0
178.05811	1.5
185.05952	0.3
186.05457	1.3
186.08809	0.2
187.07466	0.2
189.03894	0.3
189.05455	0.5
189.09065	1.0
195.02847	0.3
195.06583	0.2
197.04419	0.2
199.07516	0.7
207.06416	0.2
208.36771	0.2
215.05394	0.4
215.07245	0.2
217.08525	1.0
223.06136	0.2
227.07057	1.0
245.08078	2.3
273.07471	0.7
291.08600	4.3
309.09592	0.6
325.09140	1.0
367.12173	0.2
557.14264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01870	0.5
69.03418	1.0
69.99593	1.2
70.06580	0.7
72.08146	0.4
77.58067	0.3
81.03396	0.8
84.08118	0.5
85.02894	1.5
97.02882	46.1
99.04417	0.4
109.02868	0.6
111.04397	0.4
117.03358	0.4
127.03902	100.0
128.04214	0.8
137.01289	0.5
137.02330	7.8
137.03355	0.5
137.05946	0.6
145.02855	0.5
147.04439	0.7
149.02299	0.5
149.06006	0.3
167.03392	0.9
175.03888	0.3
177.05467	1.7
195.06586	0.4
199.07491	0.3
201.90135	0.3
205.05003	1.1
213.18333	0.3
233.04428	6.1
251.05493	0.8
269.06509	0.9
289.09052	3.3
323.05634	0.3
458.06067	0.4
557.10376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05506	1.0
57.03436	0.6
61.02919	0.6
62.29184	0.2
63.02388	0.6
65.03933	0.6
67.05499	1.0
68.99792	0.7
69.03417	3.9
69.07072	0.4
70.89076	0.5
71.01360	0.3
73.02901	0.3
78.04713	0.4
79.05487	0.6
81.03408	1.2
81.07039	2.0
83.01322	0.3
83.04970	2.1
83.08604	0.3
85.02895	2.8
87.00793	1.2
89.03904	6.6
91.05478	1.0
93.03425	0.7
93.07022	0.6
95.01333	0.3
95.04971	0.5
95.08597	2.0
97.02881	18.4
97.06525	0.3
97.10159	0.4
99.04467	0.5
103.03905	0.3
103.05485	0.5
105.01865	0.6
105.07018	0.3
106.04172	0.4
107.08592	0.9
109.02882	0.8
109.10144	0.9
110.63702	0.2
111.04410	2.4
114.32395	0.2
115.05464	0.2
117.03363	17.7
118.59559	0.2
119.04905	0.3
119.08566	0.4
121.02864	0.4
121.06468	0.2
121.10123	0.7
123.11700	0.5
123.44679	0.2
125.02308	0.3
125.05981	0.5
126.16154	0.2
127.03925	1.4
129.01837	0.7
129.05461	1.6
129.07002	0.8
131.04907	0.2
133.10118	0.3
134.03595	1.2
135.04395	1.4
135.11655	0.2
137.02380	0.3
137.05954	0.4
137.13261	0.2
138.45375	0.2
139.11208	0.3
145.02826	46.3
145.10074	0.4
146.03151	0.6
147.02887	0.4
147.04395	0.4
147.11652	0.3
149.02356	0.9
149.05956	6.4
149.13206	0.5
151.03903	0.4
151.14769	0.4
157.06416	1.1
159.02907	0.4
159.11617	0.3
163.03859	0.9
163.14709	0.3
167.03384	4.2
167.04810	0.3
169.06386	0.3
173.05803	0.3
177.05443	100.0
178.05795	0.9
185.05927	0.5
186.05446	1.5
189.03918	0.2
189.05473	0.6
189.09149	1.1
191.07011	0.2
195.02831	0.5
195.06435	0.3
199.07523	0.9
207.06560	0.3
215.05348	0.3
217.08583	1.0
227.07027	0.6
245.08044	2.2
273.07507	0.6
289.25113	0.8
291.08621	4.3
309.09573	0.7
309.27905	0.3
325.09073	0.9
381.29965	0.5
557.14539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
55.01865	0.5
55.05491	0.6
57.03422	1.0
61.02917	0.5
63.02373	0.5
65.03938	0.8
67.05500	0.5
68.99790	0.4
69.03416	4.5
69.26944	1.3
69.27363	2.5
70.56821	0.3
71.04971	0.5
73.86974	0.3
78.04687	0.6
79.05489	0.5
81.03423	1.9
81.07031	0.8
83.01293	0.4
83.04967	1.6
85.02897	3.2
85.98277	0.3
87.00816	1.2
89.03899	6.3
91.05469	1.0
93.03397	0.9
93.07056	0.4
95.04987	0.4
97.02879	18.4
97.06460	0.7
98.03231	0.4
99.04462	0.7
103.05462	0.4
105.01878	0.9
105.07001	0.4
107.04941	0.3
109.02845	1.3
109.10188	0.5
111.04427	2.3
117.03368	18.8
121.06370	0.3
121.10094	0.4
123.04381	0.6
127.03915	1.7
128.06163	0.5
129.01791	0.8
129.05475	1.9
129.06985	0.8
134.03618	1.3
135.04373	1.2
137.05988	0.6
139.03882	0.6
141.06856	0.4
145.02823	48.5
146.03175	0.5
147.04378	0.6
149.02280	0.7
149.05963	6.7
151.03949	0.5
153.01796	0.8
157.06442	0.8
163.03850	1.0
167.03372	3.5
175.03862	0.5
177.05444	100.0
178.05786	1.4
186.05467	1.3
189.05396	0.5
189.09061	1.1
191.59546	0.3
199.07500	0.9
203.10603	0.4
205.04877	0.5
207.06488	0.8
215.05301	0.4
217.08545	0.9
227.06892	0.7
245.08046	2.1
251.07283	0.3
273.07480	0.6
290.05460	0.4
291.08630	3.9
307.09625	0.9
318.96912	0.4
325.09085	0.8
334.04422	0.4
348.06030	0.4
351.12289	0.8
363.08542	6.5
367.11703	2.2
377.09860	0.4
385.77942	0.3
395.11267	2.9
509.14078	0.7
557.15021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
55.01865	0.5
55.05491	0.6
57.03422	1.0
61.02917	0.5
63.02373	0.5
65.03938	0.8
67.05500	0.5
68.99790	0.4
69.03416	4.5
69.26944	1.3
69.27363	2.5
70.56821	0.3
71.04971	0.5
73.86974	0.3
78.04687	0.6
79.05489	0.5
81.03423	1.9
81.07031	0.8
83.01293	0.4
83.04967	1.6
85.02897	3.2
85.98277	0.3
87.00816	1.2
89.03899	6.3
91.05469	1.0
93.03397	0.9
93.07056	0.4
95.04987	0.4
97.02879	18.4
97.06460	0.7
98.03231	0.4
99.04462	0.7
103.05462	0.4
105.01878	0.9
105.07001	0.4
107.04941	0.3
109.02845	1.3
109.10188	0.5
111.04427	2.3
117.03368	18.8
121.06370	0.3
121.10094	0.4
123.04381	0.6
127.03915	1.7
128.06163	0.5
129.01791	0.8
129.05475	1.9
129.06985	0.8
134.03618	1.3
135.04373	1.2
137.05988	0.6
139.03882	0.6
141.06856	0.4
145.02823	48.5
146.03175	0.5
147.04378	0.6
149.02280	0.7
149.05963	6.7
151.03949	0.5
153.01796	0.8
157.06442	0.8
163.03850	1.0
167.03372	3.5
175.03862	0.5
177.05444	100.0
178.05786	1.4
186.05467	1.3
189.05396	0.5
189.09061	1.1
191.59546	0.3
199.07500	0.9
203.10603	0.4
205.04877	0.5
207.06488	0.8
215.05301	0.4
217.08545	0.9
227.06892	0.7
245.08046	2.1
251.07283	0.3
273.07480	0.6
290.05460	0.4
291.08630	3.9
307.09625	0.9
318.96912	0.4
325.09085	0.8
334.04422	0.4
348.06030	0.4
351.12289	0.8
363.08542	6.5
367.11703	2.2
377.09860	0.4
385.77942	0.3
395.11267	2.9
509.14078	0.7
557.15021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08740	0.6
54.76917	0.7
56.96560	6.0
57.03428	2.3
61.02917	1.5
62.56685	0.9
69.03420	6.5
70.47186	3.2
73.02904	2.4
77.00894	2.0
81.03400	1.6
82.99893	2.7
84.00625	0.8
84.95995	0.9
85.02890	10.1
87.04462	1.9
91.03957	1.3
94.06574	0.9
94.99853	1.0
95.88039	0.8
97.02882	8.4
98.97571	12.9
99.04420	1.5
100.07567	1.1
101.00869	10.8
103.02413	1.5
105.00411	0.9
109.01353	0.8
109.02849	3.2
110.97523	0.8
113.00872	2.1
115.02440	1.3
116.98603	8.2
117.03985	0.9
119.01903	49.0
121.03480	1.6
127.02429	4.9
127.03914	5.1
128.98601	2.9
129.03952	1.6
131.01888	18.7
133.03445	5.6
134.99608	3.3
137.02933	10.1
138.05479	1.4
139.02437	1.5
141.03967	2.8
141.98544	1.9
142.03485	1.9
142.98441	0.9
143.00104	2.4
143.00690	1.0
143.01877	27.2
145.03453	47.4
145.04793	1.9
146.08073	0.8
146.99641	3.2
147.01385	1.9
147.05023	2.5
149.01173	2.0
149.02933	4.1
150.48399	0.9
150.99109	1.2
151.04453	1.7
153.04010	1.0
155.01869	16.5
157.03468	12.6
158.99596	2.6
159.05013	12.5
161.01233	3.9
161.02928	44.9
161.13287	0.9
163.03227	1.3
163.04507	12.7
163.99120	1.1
167.01912	8.2
167.07076	1.8
168.05063	1.3
169.03447	26.0
170.99635	3.8
171.01366	2.8
171.05006	9.8
173.01300	1.4
173.02943	34.4
173.06679	1.1
174.99049	1.0
175.04494	6.7
177.00677	3.7
177.02412	1.4
177.05823	1.5
179.01903	4.2
181.01822	1.2
181.03435	4.1
182.99779	1.7
183.01399	2.7
183.05017	1.9
184.04544	1.8
185.02931	55.8
186.03186	1.4
187.04492	55.1
188.04659	1.2
189.00661	5.0
189.02432	11.4
189.04109	1.5
189.06050	3.6
190.98595	1.0
191.02303	1.0
191.03934	3.7
193.00166	1.6
193.03494	1.0
194.00066	1.7
196.04457	2.8
197.02922	21.9
199.04495	11.0
201.00673	6.8
201.02429	3.6
201.06035	3.1
203.03976	25.6
205.00050	1.3
205.03757	1.1
205.05653	1.1
207.01764	1.6
207.03494	2.7
207.05219	1.3
208.04593	2.2
209.02986	2.4
210.06110	3.1
211.04526	9.1
213.02429	9.6
213.05911	2.7
213.55382	1.3
214.00520	0.9
214.05722	1.3
215.03899	15.8
215.05666	1.0
217.05557	4.5
219.01694	8.1
221.05020	5.8
223.01207	1.2
223.04517	2.0
223.53746	0.9
224.01372	1.9
224.04138	1.2
225.02431	3.4
227.03954	9.7
229.05522	4.4
231.03488	19.7
232.54126	1.5
233.01358	1.4
233.04997	3.1
235.06645	1.2
235.51430	0.8
237.02774	5.5
239.03896	2.2
241.05579	1.0
243.01425	1.4
243.03554	3.3
245.05038	100.0
246.05281	3.2
249.02559	4.6
251.04405	2.8
253.54547	1.3
255.03571	1.3
257.01270	3.7
257.05051	7.6
261.02579	4.2
263.06137	10.3
265.01981	1.1
267.03748	2.4
269.05356	1.5
271.06567	10.8
273.04572	2.4
273.08054	2.1
275.02454	35.1
275.06055	33.5
275.08707	0.9
276.02560	1.0
277.07596	1.1
279.03745	3.8
285.04553	3.7
286.07666	1.7
287.02448	12.3
287.05713	1.5
289.07828	1.0
291.03503	5.2
293.03497	11.5
293.07132	6.4
295.08609	1.1
296.08493	1.0
297.04456	1.8
303.05499	5.7
304.54324	0.9
305.03506	15.4
305.07248	12.9
315.05579	3.1
316.05280	1.4
317.03625	1.8
317.07230	2.2
321.04932	2.0
333.06592	2.3
335.04498	14.6
335.08243	6.9
337.09714	1.3
341.03583	3.9
345.06635	1.0
347.02859	1.2
347.08170	1.2
349.05899	1.6
351.11060	2.3
359.04529	12.0
365.09286	13.9
377.05515	29.0
381.08185	0.8
383.09171	1.2
385.61441	1.4
391.11157	1.5
395.06622	41.8
396.06927	1.0
400.07306	1.1
405.03220	3.3
407.04535	1.1
409.11581	2.1
437.05884	7.8
439.12943	1.7
440.13412	0.9
465.10812	10.5
539.10742	4.5
550.00269	0.8
557.12677	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	557.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
61.22903	0.4
65.03926	0.5
67.01189	0.4
67.05478	0.4
68.30544	0.4
68.99785	1.0
70.02299	2.1
70.06585	0.9
71.01329	0.5
74.70077	0.3
80.08393	0.4
81.03413	2.7
83.34835	0.4
84.08086	0.5
91.05470	1.2
93.03395	0.5
95.04957	1.0
97.02877	1.2
98.21391	0.4
107.01336	0.6
107.04941	0.4
109.02866	1.7
110.07135	0.5
111.04399	0.4
117.03352	0.4
119.04922	1.0
120.08885	0.4
121.02839	2.1
123.04415	4.1
124.07629	0.4
127.03906	2.6
130.03145	0.4
131.04919	0.6
135.04396	1.2
137.02322	73.3
137.03401	3.9
137.05931	1.3
138.02748	1.2
143.04857	0.8
145.02847	1.2
145.06424	0.6
147.04352	3.3
149.02367	1.1
149.05969	0.7
151.03851	0.6
151.07515	0.4
153.01842	1.1
155.04893	0.5
157.06445	0.7
161.02254	0.5
161.05954	2.4
163.03882	5.5
167.04889	0.5
171.04378	1.1
173.02301	0.4
173.05937	0.6
175.03879	1.3
175.07535	0.7
177.01895	0.5
177.05487	1.6
179.07022	1.2
183.04436	1.3
185.05930	0.9
187.03842	1.9
187.07573	0.4
189.05475	4.0
191.03410	1.9
197.05988	0.8
199.03841	1.0
200.04730	1.5
201.05434	1.3
203.03342	1.2
203.06952	0.5
205.04964	0.9
207.02908	1.1
211.03848	1.0
212.04730	0.6
213.05486	2.7
214.06233	0.4
215.03349	1.8
216.04137	1.2
217.04980	1.2
219.02907	1.1
219.08028	0.4
225.05499	1.1
227.03412	1.1
228.04202	1.4
229.04904	5.4
230.05733	2.0
231.06494	1.2
237.05394	0.8
239.03339	1.8
241.04829	2.4
242.05553	0.5
243.02928	1.4
243.06471	0.5
245.04526	1.6
247.07726	0.7
251.03412	0.4
253.04984	1.5
255.02881	2.0
255.06488	0.7
256.03625	0.8
257.04410	5.5
259.02228	0.5
259.05661	0.5
261.03922	0.6
263.06985	0.6
265.04895	0.9
267.02982	0.6
267.06442	0.4
269.04352	1.8
270.05264	1.3
271.02310	3.6
273.03864	3.6
274.04739	1.5
275.07141	0.5
277.08600	0.7
279.02786	0.8
279.06479	0.7
281.04434	1.6
283.02307	1.2
283.05914	1.0
283.09555	0.5
285.03918	1.9
287.06952	0.8
291.06433	0.9
293.04407	1.0
293.07782	0.5
295.06265	0.5
295.09653	0.5
297.03870	1.1
301.03406	2.4
302.04156	5.3
303.04749	12.2
304.07410	0.5
305.08051	1.2
307.05826	0.9
309.03934	0.9
309.07346	0.8
311.05484	0.7
315.06442	0.5
319.06018	1.2
321.04089	0.7
321.07690	1.4
323.09277	0.7
325.03381	1.1
325.07001	0.5
327.06302	0.7
329.07806	0.5
331.06046	2.2
332.06519	1.2
333.07593	2.7
335.05426	1.0
337.07016	0.9
339.05029	1.2
343.05658	0.6
345.07520	0.9
347.05392	0.8
347.09219	0.5
349.03290	0.6
349.07065	3.5
350.07507	0.6
351.08688	2.5
353.06671	1.1
355.05557	0.6
357.07245	0.5
359.05569	1.4
360.06238	1.1
361.06967	3.1
363.04965	1.1
365.06363	2.0
367.08093	1.6
373.06995	1.2
375.08774	1.2
377.06552	4.7
379.08060	1.9
385.07004	0.6
387.04782	0.9
389.06467	3.3
393.05682	2.8
395.07697	0.9
401.06537	1.9
403.08319	1.9
405.05997	7.0
406.06757	4.1
407.07556	14.1
408.08340	0.5
409.05554	1.7
410.06335	2.3
411.10767	3.9
419.07938	2.2
421.05377	15.6
423.07092	9.6
424.07639	1.1
429.05936	3.0
431.07538	2.4
433.05515	7.1
434.06586	0.8
435.06882	1.8
437.08826	1.0
438.09271	0.4
439.10126	0.5
447.07010	3.4
449.08661	2.9
451.06592	1.6
453.08023	4.4
457.05545	3.0
458.06482	0.6
459.07117	1.6
465.08112	2.3
467.09677	67.6
468.10101	2.3
475.06558	12.5
476.07410	0.6
477.08087	2.9
479.05981	2.6
493.07590	10.3
495.08694	2.1
497.07132	3.6
501.10318	0.5
503.05899	5.9
511.08618	4.9
521.07135	17.9
522.07312	0.6
539.08136	23.8
540.08350	0.7
557.09192	100.0
558.09375	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	556.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.1
57.03423	7.5
57.06849	2.7
57.07069	35.6
67.05498	15.4
69.07058	11.6
70.06590	14.2
70.73178	10.4
71.08619	25.5
79.05483	16.1
79.45626	3.0
81.07052	17.6
83.08608	13.7
84.62371	2.9
85.10154	10.6
88.07595	3.7
89.06009	9.0
91.05454	6.4
93.07014	18.3
95.04934	6.2
95.08586	35.3
97.10107	4.8
99.04415	3.6
105.07005	4.8
107.04958	5.2
107.08543	16.6
109.10133	7.0
111.04388	3.1
116.71043	2.8
117.07027	9.1
119.08572	6.0
121.06503	4.2
121.10149	8.5
127.53691	2.8
132.10236	5.2
133.08604	3.1
135.11664	36.9
141.35490	2.8
145.10117	17.1
146.11720	8.1
154.75862	3.6
156.44711	3.3
163.11156	46.4
166.71364	3.0
178.42799	2.9
181.12227	7.0
181.67909	2.8
185.24171	2.8
201.38596	3.2
227.12749	59.6
227.14812	5.9
256.26276	9.0
283.15421	48.9
283.26233	39.3
300.28970	28.1
313.27328	84.4
430.17960	3.6
509.20865	3.2
521.31006	5.0
521.38348	62.3
522.38611	4.0
552.33124	3.9
556.52917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2217
Annotation	Cerberalignan D
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	1.3
55.05498	5.1
57.03429	2.3
67.05493	8.5
69.03447	1.6
69.07050	2.0
79.05489	7.9
81.03416	4.6
81.07052	9.1
83.08619	2.5
84.02953	1.3
85.02887	2.4
91.05479	8.3
93.07045	5.0
95.04974	4.0
95.08607	4.0
97.02850	1.9
97.06499	1.6
97.10167	2.5
98.21533	4.5
105.07050	4.8
107.04974	2.9
107.08592	4.3
109.10162	3.4
115.79858	1.5
117.07027	4.7
119.08598	3.7
121.06465	1.7
121.10152	1.7
123.04428	2.0
129.07016	1.7
131.08606	2.5
133.10138	2.3
135.08018	1.8
137.02319	1.9
137.06027	2.8
141.06995	1.9
143.08521	1.4
145.06514	1.7
145.10175	2.1
147.04359	1.5
151.03987	1.7
151.07544	3.7
152.07848	1.9
159.11746	1.9
161.05875	1.9
161.09644	1.6
163.03882	6.8
165.06987	1.7
166.06279	1.4
167.03442	2.9
169.10008	1.6
175.03943	1.7
177.01778	1.9
177.05504	3.3
178.06194	13.6
179.06929	2.2
181.08659	4.7
182.08931	1.9
191.03465	1.7
191.07072	2.3
195.03024	3.3
195.06575	3.9
205.04971	1.9
209.08128	4.6
210.08548	3.2
215.14380	2.4
227.03235	1.7
241.05034	1.8
253.05226	1.6
254.05872	1.7
255.03108	1.4
255.06496	1.7
267.06723	1.9
269.04965	1.8
269.08112	1.5
281.04523	2.0
283.06079	3.3
285.07480	3.1
287.05283	2.8
289.18094	2.0
295.05865	1.8
297.04147	2.2
297.07416	1.5
299.05627	1.8
311.05618	4.4
312.06265	3.6
313.07089	4.0
315.05161	8.8
315.08432	2.3
323.05634	2.1
325.07086	2.8
326.07687	2.4
327.05112	15.8
327.08728	3.9
329.06689	2.1
329.10388	1.9
330.07532	4.4
337.07233	2.8
339.04852	8.4
339.08514	1.3
340.05908	1.6
341.03027	4.3
341.06580	4.3
342.07501	1.9
343.08212	1.4
344.08813	8.8
345.09845	9.3
351.05045	4.1
352.05667	2.4
353.06668	2.2
354.07355	5.2
355.08200	4.5
356.05023	2.5
357.09756	15.9
365.06757	2.2
369.09750	9.6
371.07462	8.8
376.09436	2.4
381.09854	4.5
383.11411	2.0
385.09021	1.7
387.10934	2.2
389.10022	1.9
391.07950	2.0
393.09680	1.8
405.09756	2.2
407.11230	3.3
409.13092	1.6
421.12924	2.7
433.17023	1.5
461.15741	6.6
479.16849	2.3
489.15433	5.2
491.20697	7.6
507.16730	3.3
509.21759	4.7
519.20068	54.4
519.27899	2.8
520.20709	4.6
537.21130	100.0
538.21490	3.6
555.22382	84.9
555.32288	4.1
556.23010	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	555.3676
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.03936	3.9
55.01862	5.6
55.05508	21.8
57.03424	3.8
57.07041	2.1
59.04995	1.9
65.03930	1.7
65.14527	1.6
67.05151	3.0
67.05499	54.4
69.03418	1.8
69.07064	13.0
71.04977	3.8
71.58411	2.8
71.58781	2.2
73.06541	1.7
79.05485	31.0
81.03396	5.0
81.07043	35.2
83.04964	4.9
83.08613	11.4
84.81896	1.8
85.06526	2.8
91.05473	33.8
91.06040	2.0
93.07032	28.5
95.04954	5.9
95.08598	24.1
97.06525	6.0
97.10160	7.8
105.07016	29.4
107.04946	6.3
107.08585	16.1
109.06492	6.8
109.10149	25.5
111.08080	2.4
115.05437	2.9
117.07019	18.9
119.08554	26.0
120.11308	1.7
121.06493	3.4
121.10146	9.3
123.08083	2.2
123.11674	1.9
124.60793	2.4
125.09618	5.2
128.06207	5.8
129.06990	23.4
130.07770	2.7
131.08534	24.2
133.06488	2.8
133.10089	11.7
135.08096	3.2
135.11668	4.5
138.52734	1.9
141.06976	10.9
142.07715	2.7
143.08542	21.7
145.06456	4.7
145.10094	17.7
147.08008	2.5
147.11678	9.5
149.09627	2.8
151.69603	1.7
153.06979	4.0
154.07733	2.4
155.08528	20.4
156.09340	3.0
157.10085	13.4
159.08057	4.5
159.11658	11.1
161.09601	2.7
161.13312	2.6
163.11226	2.5
165.07047	3.4
167.07094	4.0
167.08566	8.5
168.09373	3.0
169.10132	16.3
171.08015	3.1
171.11679	14.2
173.11775	4.2
173.13312	5.4
175.11133	2.3
177.12685	2.8
179.08556	4.2
180.09343	2.9
181.10086	12.2
183.11652	14.7
185.09598	3.3
185.13280	8.9
187.11279	3.3
187.14757	2.7
189.11269	3.6
193.10213	3.9
195.11647	9.1
197.13283	11.9
199.11169	4.4
199.14772	5.9
201.12753	2.1
206.10904	1.8
207.11758	4.2
207.13759	2.2
209.13280	7.1
211.11278	2.0
211.14731	4.4
213.16516	2.3
221.13257	5.8
223.14914	3.9
227.12773	2.6
229.14349	4.9
229.19495	2.6
235.14835	5.1
239.14204	2.0
239.17923	2.7
249.16391	2.9
257.19025	5.4
259.20621	1.7
275.20248	3.1
281.19012	1.6
299.23840	2.0
309.22104	7.6
311.23639	2.9
313.21545	2.7
327.23111	4.3
365.24850	2.9
435.32532	4.1
445.30890	11.3
463.31873	16.0
481.33249	10.5
499.34286	3.9
509.36282	2.7
527.37262	5.6
537.35748	28.6
555.36768	100.0
556.37085	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	553.2804
Annotation	Canthiumine
Peak:m/z	Relative Intensity
50.65754	0.8
52.81732	1.0
70.83756	1.0
70.84104	3.1
75.72817	0.8
105.06970	1.3
137.68875	0.9
183.25612	1.0
211.76701	1.2
213.88570	1.2
235.36057	1.1
363.16086	1.3
377.17630	2.7
378.18256	2.4
391.19135	4.2
392.19858	4.3
393.20734	9.4
405.20828	2.3
406.21548	3.3
407.22195	10.3
420.22876	1.7
421.18579	1.4
421.23730	8.5
422.17136	1.9
436.19131	2.7
437.19601	9.9
438.20572	1.3
443.39267	1.0
448.22455	1.9
451.21201	13.9
465.22989	3.0
473.19601	1.6
477.26260	6.2
480.25500	1.2
484.31531	1.1
503.24432	4.4
509.29227	4.5
524.23755	2.6
535.26819	6.0
553.28040	100.0
554.28210	3.6
575.66113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1316
Annotation	3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose
Peak:m/z	Relative Intensity
50.64887	0.6
51.04663	0.6
52.33447	0.7
53.61271	0.6
56.96581	0.7
69.03410	1.2
70.07438	1.9
70.07832	1.5
84.08124	0.7
85.02914	0.7
97.02882	1.4
101.40853	0.7
119.01898	1.4
144.01137	0.8
161.02946	2.0
161.48711	0.7
169.03464	1.0
173.02945	1.2
178.64032	0.6
185.02893	1.1
187.04527	0.9
235.04636	0.9
261.03717	1.9
317.08228	2.5
373.07544	0.6
405.07880	1.4
423.09076	10.5
511.12753	1.2
537.11804	12.8
555.13159	100.0
556.13666	2.0
561.80078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72640	0.9
56.96549	2.1
57.03420	1.6
69.03428	4.5
69.17749	0.6
70.90764	1.8
70.91120	0.6
73.02892	1.0
77.00880	1.2
81.03423	0.7
82.99903	0.7
85.02448	0.6
85.02880	3.7
85.80523	0.5
87.04465	1.9
97.02890	4.0
98.97568	4.7
101.00870	4.9
103.02441	0.9
105.00328	0.8
110.97549	1.3
113.00820	0.9
115.02418	2.0
115.03887	0.9
116.98575	1.3
119.01907	13.2
125.00911	0.8
127.02363	4.5
127.03882	0.7
128.98595	2.8
131.00145	1.5
131.01877	6.0
133.03427	4.1
133.04942	1.3
137.00793	0.7
137.02946	1.6
139.02388	1.3
143.01881	5.1
145.03438	33.2
146.03584	1.0
146.99651	1.2
147.01331	1.2
147.03085	0.7
149.01152	1.7
151.04510	0.9
152.07028	0.7
155.01872	15.1
156.03656	0.8
157.03452	13.8
159.05035	1.8
161.01282	0.7
161.01503	0.8
161.02939	6.8
163.04494	4.4
167.01845	3.0
168.05095	1.0
169.03424	4.9
170.99712	1.3
171.01346	1.0
173.02939	16.6
175.04509	6.5
177.00700	0.9
177.02422	0.8
179.02118	0.7
181.03467	0.9
183.04956	0.9
185.02933	13.7
187.02875	1.1
187.04460	5.2
189.00610	0.9
191.03998	1.9
194.67711	0.6
197.02992	3.7
199.04517	2.4
201.00688	0.7
201.06015	0.9
203.03978	7.9
209.02913	1.0
211.04517	1.8
213.05197	2.0
215.03976	6.0
217.05586	3.3
219.01784	3.2
221.02977	1.2
221.04939	6.3
223.04669	0.7
227.03992	3.0
229.05775	0.7
235.06593	22.1
237.02812	3.8
239.03938	2.6
245.05038	1.9
247.04852	0.9
251.04276	5.2
253.07646	20.2
257.05002	2.1
258.08115	1.4
259.06735	1.8
265.07684	1.1
269.05331	2.0
271.06622	1.9
277.07675	1.3
287.06140	1.9
289.07837	1.7
291.09171	0.8
299.06201	1.1
301.07623	4.3
303.08701	0.9
319.08719	39.5
320.08658	0.9
321.05032	0.8
331.08545	3.0
349.09750	100.0
350.10110	3.0
365.07587	4.1
367.10880	12.7
390.12515	1.2
391.62350	1.0
392.07990	1.1
394.59573	0.7
409.11850	2.6
415.43799	0.6
425.09915	1.0
437.11218	0.8
465.10455	0.7
467.12473	0.9
495.11517	1.2
520.38220	0.7
555.19287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
59.74945	0.5
65.03918	1.3
69.64380	4.0
78.04691	2.2
79.05466	2.1
80.06244	1.9
85.65998	0.4
91.05465	5.2
93.03383	1.0
93.06997	1.0
95.04974	0.9
98.20675	0.6
106.04120	0.8
107.04919	3.8
108.05724	3.6
119.04892	0.6
121.02828	3.4
121.06492	1.4
122.07243	0.6
123.04414	1.5
123.08031	0.9
125.00694	0.5
135.04372	2.1
136.05179	18.9
137.05981	0.6
138.06726	3.2
139.07503	0.6
149.06007	0.9
151.03877	1.7
151.07520	52.0
153.01825	0.8
153.09079	2.8
163.03899	13.1
166.06223	10.4
166.07594	0.6
169.08563	1.0
178.06226	49.9
179.03336	1.6
179.06903	1.6
181.08571	73.9
183.08011	0.5
194.05885	0.6
209.08063	100.0
210.08473	1.1
216.04147	0.8
231.06502	1.1
241.04924	0.6
241.23859	0.5
244.03572	0.7
255.02878	6.8
259.06055	2.1
269.04419	1.8
269.07208	0.5
271.05829	0.5
273.80872	0.6
283.02356	1.4
284.03040	0.7
287.05518	6.8
294.26065	0.7
297.03696	1.2
299.05490	1.2
300.02820	2.4
310.76636	0.5
312.06262	1.5
315.04926	36.2
329.06491	1.7
330.07303	15.1
331.07233	0.6
345.09641	78.7
346.09998	1.3
357.09711	2.5
385.09174	2.9
553.16943	17.1
553.29755	0.7
575.79596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05575	0.3
54.68548	0.3
57.03407	0.4
61.02916	1.0
65.03909	0.4
66.04721	0.4
67.05486	0.6
68.49892	0.5
68.99779	1.4
69.03429	0.6
70.06585	0.6
70.98647	1.2
74.02074	0.4
79.05495	1.0
84.08100	0.4
85.02910	3.3
87.00822	1.3
91.05471	1.2
94.04180	3.0
97.02897	0.4
103.03928	1.0
104.07072	1.1
105.01896	0.4
107.04951	1.3
109.06490	0.4
111.04449	0.5
119.04907	0.5
121.06490	0.8
122.03625	6.4
123.04404	0.7
125.05969	0.6
129.01840	1.8
131.04919	1.5
134.03688	0.5
135.04396	2.6
137.05963	100.0
138.06303	0.9
145.06483	0.4
147.02893	0.8
147.04370	1.1
149.05963	16.1
151.03880	0.9
151.07616	0.4
153.05476	2.1
159.04401	1.3
161.02348	1.0
161.05949	1.0
166.88141	0.4
167.07056	0.7
167.08467	0.5
168.52811	0.3
175.03966	0.4
177.05453	32.0
179.03435	1.5
187.03897	0.9
189.03954	0.9
195.06451	0.6
195.08067	0.5
197.05949	0.6
201.05432	0.5
203.03418	0.8
219.06473	1.0
223.07544	0.9
227.03355	0.5
241.08557	0.5
243.06555	0.5
245.04433	0.7
259.06082	0.8
265.08575	0.5
283.09549	1.9
293.07785	0.5
301.10568	0.8
311.09082	7.6
329.10123	2.9
347.11252	1.6
349.10483	0.5
353.10098	1.5
367.11844	0.6
371.11340	0.6
377.10220	0.7
395.11234	1.1
413.12509	0.4
442.46283	0.4
499.12631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
53.90717	0.7
55.01858	2.2
57.03418	1.2
60.08152	0.6
61.02905	1.8
61.30446	0.7
65.03915	0.7
67.05481	2.5
68.99761	1.9
69.03427	5.5
69.07032	0.8
71.63565	1.1
73.02892	1.7
78.04696	0.7
79.05501	1.7
81.03413	4.5
81.07050	1.2
85.02892	12.7
86.09695	2.0
87.00816	5.0
91.05468	4.7
93.07047	1.1
95.04974	3.6
97.02876	4.2
99.04441	2.8
100.05505	0.7
103.05428	0.9
104.10761	1.0
105.01847	4.4
105.07032	0.9
107.04933	0.8
109.02883	4.7
109.06522	1.6
109.10116	0.9
113.61767	0.6
114.07961	0.7
117.01880	0.8
117.07000	2.3
119.08611	0.8
120.08022	0.7
121.06498	19.6
123.04416	72.3
124.04751	0.7
124.99968	1.5
127.03905	8.7
129.01833	2.0
129.06995	0.9
135.07980	1.3
137.05969	13.5
139.07507	6.4
145.04984	5.2
146.07251	2.2
147.02850	1.1
147.03029	1.2
147.04373	10.4
147.08012	1.7
149.05945	2.4
149.07063	1.2
149.09624	0.8
151.07526	100.0
152.07893	1.2
159.02861	3.3
161.05927	2.3
162.06773	1.1
163.07532	2.2
165.05463	13.4
165.06844	1.2
165.09102	7.2
167.07018	1.5
177.05617	1.1
177.09093	22.4
178.06145	0.7
179.06998	1.3
184.07356	6.8
185.05916	1.1
186.43922	0.7
189.03879	1.3
189.05437	8.3
191.07066	1.4
193.08604	2.7
203.07100	1.2
213.05516	1.3
215.07095	0.8
231.06693	3.8
257.08093	1.2
259.09799	0.9
287.12787	13.0
299.12860	2.0
311.12802	4.7
315.04996	0.8
329.13742	3.2
335.07553	2.9
345.09711	1.1
350.10190	0.8
353.09814	1.1
353.13654	5.9
377.13794	2.2
395.14868	7.6
433.02020	0.8
499.15750	1.7
508.13193	1.7
552.25977	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	553.1332
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03939	0.9
55.01864	13.3
69.07076	0.8
70.06583	0.8
71.62230	1.1
73.02904	12.0
73.95057	0.8
79.05483	1.4
81.03407	1.5
81.07036	1.1
85.02907	1.5
91.05496	1.9
91.42837	1.0
93.07041	1.0
95.04958	1.3
97.02868	1.7
97.06526	2.2
101.02371	10.1
101.87782	0.8
103.05462	1.1
104.10784	0.9
105.07003	1.1
107.04928	1.6
109.02860	1.3
115.05442	0.9
115.37527	0.9
117.06992	0.9
119.04942	1.9
121.10142	1.1
123.04482	1.2
125.00020	1.0
127.03930	0.9
131.04840	1.1
137.05952	3.8
145.02878	1.2
147.04404	2.9
147.11748	0.9
149.05986	2.0
151.07573	2.7
153.05429	1.9
159.04401	1.6
161.05981	2.4
163.03894	2.6
164.06960	1.0
167.07021	7.7
167.52473	0.9
169.07491	1.0
173.06033	1.8
175.03908	0.9
177.05434	4.2
178.06245	6.0
179.07027	4.2
181.05016	1.4
181.08624	1.2
184.07327	2.6
185.05949	1.2
187.07498	1.1
188.04852	0.7
189.05461	1.2
191.03314	1.4
191.07042	1.0
193.05016	1.1
194.09369	5.6
195.06485	1.6
201.09093	1.5
203.03537	0.9
205.04886	3.8
211.07646	0.8
213.05464	1.8
225.05309	1.0
229.04919	3.1
229.08609	1.9
231.02849	6.2
243.06520	1.7
245.04471	1.0
245.08092	1.0
255.06462	1.4
257.04410	1.7
267.06461	0.8
269.04477	1.6
273.04150	1.4
273.07623	3.9
282.60263	0.9
283.05899	1.0
285.03952	1.6
287.05383	4.1
293.04343	4.1
302.07330	1.1
303.07608	1.8
305.08087	1.2
306.05011	1.1
312.06311	0.9
313.07025	1.9
333.07602	1.0
349.07224	2.0
350.04248	1.1
359.05463	1.3
362.04230	1.8
371.14951	1.0
373.15259	2.3
375.04910	1.9
377.06461	7.4
378.96014	1.1
388.05692	1.2
389.06586	1.1
391.08060	1.3
403.08087	3.3
405.05988	85.9
406.06348	2.0
407.07645	1.9
413.06396	2.0
417.05887	1.0
419.07507	3.1
420.08386	7.9
421.09158	3.0
423.06796	1.4
431.07358	1.6
435.10718	18.9
436.11295	1.2
437.08380	1.3
441.05859	5.8
443.07678	1.4
447.10953	1.7
452.10583	0.9
453.11722	67.2
454.12213	1.5
459.07120	6.5
461.12561	1.7
465.11960	1.2
469.05481	1.5
471.10593	10.0
474.09573	1.4
487.06378	4.0
489.11438	4.4
507.12811	22.8
509.14456	2.5
517.11200	31.5
535.12305	100.0
536.12701	5.3
553.13293	54.3
553.20422	1.5
554.13770	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	552.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03931	2.2
53.05473	0.6
55.01850	2.9
57.03432	1.3
60.08142	1.4
61.02918	2.0
67.05491	1.2
68.99768	2.0
69.03426	6.8
70.21225	3.5
71.04974	1.1
73.02901	1.4
79.05492	1.4
81.02993	1.1
81.03415	8.0
81.07036	1.8
85.02401	1.3
85.02894	15.5
86.09680	4.2
87.00817	5.8
91.05472	3.4
95.04957	2.9
95.08585	0.8
97.02887	5.3
99.04430	2.8
102.67643	0.7
103.05433	1.0
104.10685	1.1
105.01878	3.5
105.07011	1.5
107.08572	1.0
109.02882	4.8
109.06521	2.2
117.06998	1.9
119.04950	1.6
121.06500	16.0
123.04420	66.1
124.04751	1.1
124.55640	0.7
125.00014	3.9
127.03904	9.5
129.01797	2.2
133.06456	1.2
135.08018	1.1
137.05957	21.8
139.07541	4.8
145.04948	4.6
145.10089	0.9
146.07220	1.9
147.02846	1.2
147.03224	1.2
147.04385	9.5
147.08005	1.7
149.05981	2.8
149.09494	0.7
151.07527	100.0
159.02884	2.9
161.05959	3.1
162.06706	1.3
163.07481	3.5
165.05481	12.1
165.09093	8.7
167.06992	1.6
173.05983	1.1
177.05528	1.4
177.07567	1.3
177.09093	20.9
179.07011	1.6
184.07326	18.5
185.05879	1.0
189.03944	0.9
189.05473	8.4
191.07080	1.1
193.08632	3.0
203.06979	2.1
213.05473	1.0
215.06920	0.9
231.06740	3.7
245.08061	1.3
257.08029	1.6
259.09604	1.2
287.12738	11.8
299.12885	3.0
311.12741	6.2
315.04657	0.9
329.13882	3.9
335.07678	1.9
345.09634	1.0
353.09219	0.9
353.13733	5.2
360.92307	0.9
377.13916	4.3
381.11517	1.2
395.14813	8.5
467.25180	0.8
468.09143	0.9
499.16153	2.2
508.13092	2.2
518.45258	0.8
552.26202	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	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72635	1.0
53.03930	2.0
55.01861	1.5
55.05506	15.2
57.03436	7.3
57.07069	33.2
61.39757	1.1
65.03912	1.7
67.05499	25.5
69.03411	1.9
69.07067	10.2
71.04990	3.3
71.08258	1.8
71.08624	24.4
71.50206	1.5
79.05482	13.9
81.03409	37.5
81.07053	28.0
83.04970	6.3
83.08614	19.4
85.02904	18.5
85.10178	12.9
91.05476	17.2
93.07038	9.2
95.04961	16.1
95.08596	22.8
97.02882	1.6
97.06541	2.2
97.10162	9.0
102.22304	1.1
105.07014	11.7
107.04935	2.7
107.08592	2.1
109.06528	1.8
109.10146	14.3
111.04421	2.5
111.08057	7.7
111.11707	4.1
112.51654	1.0
113.06023	1.7
119.08572	9.8
121.10132	6.0
123.11714	5.3
125.62625	1.3
129.06995	5.5
131.08568	4.9
133.10138	4.8
137.13206	2.0
142.07791	2.1
147.08008	1.3
147.11693	9.9
149.09650	4.2
149.13332	1.2
157.10133	6.1
165.12729	2.4
175.11172	8.1
192.53423	1.0
193.12227	35.9
196.55013	1.0
207.26205	1.2
211.13278	48.6
267.15881	3.3
267.26883	3.6
341.30621	5.2
457.85669	1.2
533.41895	3.0
551.43030	100.0
552.43079	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	551.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93999	4.2
55.05490	17.4
57.07061	5.1
67.05499	38.2
69.03425	4.7
69.07054	20.8
71.01343	7.4
71.59353	8.7
75.04462	5.7
79.05479	18.9
81.07040	58.4
83.08615	10.1
85.02882	10.6
85.06531	6.3
91.05458	18.0
93.07025	30.3
95.04962	7.1
95.08597	100.0
97.10149	10.0
101.02383	21.4
105.07020	39.0
107.08586	50.3
109.10154	47.2
117.07014	6.3
119.08585	40.8
119.86059	5.0
121.10135	47.1
123.04392	15.2
123.11691	29.3
127.03909	37.5
128.01083	4.8
131.08531	10.3
133.10097	31.0
135.11658	24.5
137.13237	30.9
143.08566	8.1
145.04933	18.1
145.10141	11.7
147.11720	28.6
149.05949	6.3
149.13220	24.9
159.11655	11.1
161.13237	26.4
163.14769	12.0
167.07010	13.4
173.13277	14.5
175.14835	16.1
177.16376	31.5
179.17996	4.9
181.08536	5.4
187.14795	12.3
189.16373	30.1
191.17923	30.6
195.18022	4.8
201.16371	20.8
203.17923	40.1
205.19443	10.7
213.16328	5.6
215.17993	13.2
217.19537	25.8
219.21123	4.4
225.77983	4.8
227.17896	10.3
229.19563	22.3
231.21037	12.0
253.04572	4.2
255.21024	5.1
257.22519	9.1
269.22610	12.5
271.24313	6.5
283.24197	6.4
297.03690	4.2
373.24094	5.0
407.36667	91.8
408.36841	5.9
507.12836	29.0
508.13312	8.4
551.28491	10.9
551.40558	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	551.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.2
50.96976	0.1
51.02372	0.3
53.03939	1.9
55.01867	1.7
55.05490	0.2
57.03429	1.4
61.02920	1.2
65.03933	0.5
66.04698	0.8
67.05491	1.8
68.99778	2.2
69.03419	10.3
69.57091	0.2
70.06562	0.4
71.01354	0.2
71.04990	1.0
71.14673	0.3
73.02905	1.7
77.03917	0.6
78.04701	0.3
79.05478	3.7
80.06255	0.2
81.03404	8.4
81.07040	2.2
83.01285	0.3
83.58829	0.2
85.02892	14.7
87.00814	4.9
87.04446	0.3
90.07822	0.1
91.03943	0.2
91.05462	3.8
93.07033	1.5
94.04165	1.7
95.04953	3.9
96.05715	0.2
97.02239	0.3
97.02876	5.7
97.06487	0.3
99.04431	2.9
101.02341	0.3
103.03934	0.8
103.05444	0.9
105.01846	3.0
105.03364	0.5
105.04462	0.3
105.07006	1.1
107.04935	1.1
107.08570	0.1
108.05721	2.1
109.02860	7.8
109.06502	11.7
110.06770	0.2
111.08058	0.6
115.03894	0.4
117.01833	0.6
119.04918	0.5
121.05603	0.3
121.06485	5.2
122.07258	0.3
123.04410	59.5
123.08025	0.6
124.05163	0.7
125.06003	0.8
127.03893	12.4
129.01804	1.3
131.04889	0.3
132.05699	0.2
133.06482	0.9
135.04399	1.8
135.08067	0.3
136.05208	0.3
137.05954	12.5
138.06749	0.8
139.07507	3.4
145.04936	3.8
145.06334	0.3
147.02896	1.0
147.04359	1.5
149.05954	21.0
150.06537	0.3
151.07527	0.5
152.04588	0.2
153.01804	0.2
153.05377	0.3
153.09091	3.5
155.07001	7.0
159.02858	3.2
160.05098	0.3
161.05952	0.7
163.03833	0.5
163.07524	0.2
165.05463	3.1
165.09073	1.3
166.06287	0.2
167.07010	100.0
168.07347	1.0
169.21112	0.2
171.02934	0.2
173.05983	0.7
175.07526	0.3
177.05444	0.5
178.06250	0.6
179.06995	1.4
181.08559	18.8
182.08876	0.2
185.05959	0.3
187.05957	0.5
189.03905	0.7
189.05469	1.0
191.06984	1.8
193.08562	4.8
196.15033	0.1
205.08629	0.8
207.06474	0.2
209.08035	2.6
213.03888	0.6
213.05643	0.4
215.06914	0.2
217.08466	0.2
217.33005	0.2
219.06480	0.3
223.09608	0.8
231.04800	2.1
231.06381	0.3
233.07945	0.8
241.04854	0.2
247.09637	0.2
255.02779	0.2
257.04492	0.2
258.05106	0.2
269.04343	0.2
275.09055	1.3
283.05795	0.2
284.06708	1.3
287.08786	0.2
289.10733	0.5
301.10617	0.3
303.12222	28.9
304.12622	0.3
312.06223	0.2
315.04889	0.6
315.08548	0.9
315.12195	1.9
327.12210	2.4
330.07251	0.3
335.07431	0.2
339.12228	0.2
343.08130	0.8
345.09546	0.8
345.13266	3.6
353.08636	0.2
357.13226	0.3
369.13367	1.4
377.25745	0.2
379.10245	1.1
393.12482	0.7
397.11279	0.8
411.14215	1.7
426.72723	0.2
435.06946	0.4
450.09357	0.2
458.20917	0.2
482.21646	0.2
497.13864	0.3
507.12793	1.5
515.15485	0.6
551.10419	2.4
551.17670	1.3
551.27368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77533	6.0
55.05490	19.8
55.58214	6.0
57.07069	9.2
67.05487	33.0
69.07049	20.7
79.05489	27.3
81.07040	55.5
91.05458	20.3
93.07036	38.6
95.08604	100.0
98.20732	11.2
99.32848	7.2
105.07009	22.8
107.08570	36.2
109.10143	41.5
117.06978	6.5
119.08561	35.9
121.10115	30.2
123.11718	17.9
127.03893	84.2
131.18478	5.9
133.10127	33.7
135.07924	7.7
135.11649	35.3
137.13255	33.2
145.10112	10.8
147.11658	18.3
149.13246	29.4
151.52368	6.1
159.11670	7.7
161.13281	18.5
167.07033	11.8
173.13210	6.8
175.14929	15.3
177.16402	8.8
185.13345	7.7
187.14856	9.6
189.16451	12.6
191.17880	10.0
201.16302	11.9
203.17914	12.2
215.17801	11.3
217.19528	16.4
227.17964	15.7
229.19444	12.3
263.72787	6.4
303.04739	9.3
371.22195	21.0
407.36639	91.4
450.09131	9.0
477.08505	8.6
507.12955	34.0
508.13214	10.9
551.11066	19.0
551.31635	41.2
551.40253	14.0
552.30902	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	551.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03944	5.3
55.01862	3.8
55.05505	0.7
57.03428	3.8
61.02922	3.1
62.76194	0.5
65.03928	0.7
66.04684	0.7
67.05500	1.7
68.99776	2.8
69.03423	26.7
70.06568	0.6
71.01345	0.8
71.04987	3.2
73.02916	5.6
77.03912	1.0
77.81705	0.5
79.05486	3.1
81.03411	25.8
81.07031	1.7
83.01316	0.6
85.02895	34.1
87.00818	15.8
87.04456	0.7
91.03944	1.6
91.05481	2.7
93.07045	1.1
94.04171	1.5
95.04964	4.0
97.02875	12.5
99.04453	9.5
101.02390	0.5
103.03941	1.5
103.05451	0.9
105.01857	9.3
105.03387	0.5
105.07016	1.2
107.04916	1.5
108.05731	2.1
109.02868	23.4
109.06506	12.1
112.41125	0.5
113.55772	0.5
115.03914	0.9
117.01863	2.3
121.06494	5.2
123.04417	68.0
123.07988	1.1
125.06033	0.8
127.03903	35.4
129.01822	3.9
133.06421	0.9
135.04424	1.8
135.08182	0.5
137.05963	10.9
139.07515	4.1
145.04941	9.9
147.02864	2.5
147.04333	2.4
149.05965	17.1
153.05492	0.6
153.09111	2.8
155.07004	7.3
159.02884	14.1
161.05945	1.6
163.07545	0.8
165.05478	3.8
165.09106	1.5
167.07021	100.0
168.07304	0.9
171.02985	0.6
173.05962	0.7
175.07478	0.6
177.03967	0.6
177.05379	0.6
179.07019	4.4
181.08578	19.3
189.05424	1.1
190.05948	0.6
191.07013	5.5
193.08615	6.7
205.08571	3.5
209.08076	9.6
210.33365	0.5
213.03888	0.9
217.08627	0.9
219.10185	1.0
223.09633	2.5
231.04839	4.7
231.06793	0.5
233.08070	3.4
247.09605	1.4
275.09109	6.7
289.10672	3.5
301.10645	1.1
303.12234	28.4
315.12216	6.7
327.12128	2.6
339.12265	0.5
345.13257	7.9
357.13300	0.8
369.13361	3.0
379.10132	3.6
393.12280	2.2
397.11295	2.0
411.14258	4.9
507.13040	2.4
515.15387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.6
59.86131	0.4
65.03932	0.5
69.03404	0.9
69.90426	3.0
79.05448	0.6
81.03414	0.7
85.02888	1.5
91.05480	1.0
95.04958	0.8
97.02882	30.4
97.06534	0.9
98.20670	0.5
103.05451	3.2
105.03386	1.0
107.04897	0.6
109.02852	1.2
109.10118	0.7
115.05398	0.6
117.07001	1.5
117.52439	0.4
119.08569	0.5
120.53143	0.5
121.10136	0.6
127.03902	100.0
128.04253	0.5
128.06212	2.5
131.04915	9.9
137.05943	2.4
141.06960	1.3
143.08543	7.7
151.03908	0.5
151.07498	0.6
153.06987	1.8
155.08577	1.1
159.11511	0.4
161.05981	0.5
163.07457	0.6
167.07054	2.3
169.06493	1.5
171.08049	1.5
171.23875	0.5
177.05449	0.8
179.03444	0.7
181.06464	1.1
187.14842	0.6
199.07498	4.3
204.70749	0.4
227.07016	1.5
243.08662	0.7
245.08073	7.0
248.88855	0.5
271.62512	0.5
285.07730	0.6
289.09244	2.1
314.87936	0.5
333.28207	0.5
503.06110	2.3
507.12692	1.0
551.11414	10.7
551.17523	9.8
552.11395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1392
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01864	2.5
56.38360	0.7
57.03198	0.7
57.03432	7.0
59.04979	1.1
61.02895	0.8
62.22325	0.6
68.99794	0.8
69.03424	24.6
69.61864	5.2
69.62259	1.1
73.02917	4.7
77.57444	0.8
81.03396	1.4
84.21261	0.9
85.02892	11.0
87.04464	11.3
91.05481	0.8
95.04949	0.8
95.57098	0.7
97.02882	16.7
99.04442	2.8
101.02381	0.9
105.03357	0.9
106.22762	0.7
107.04914	1.1
111.04441	1.0
115.03923	10.8
117.05499	0.8
121.02857	9.4
127.03883	2.1
133.04964	9.2
137.06004	0.9
152.14455	0.8
153.01840	4.2
153.71088	0.7
157.04919	1.5
161.06007	1.0
165.01810	2.0
165.05513	0.9
183.02913	1.1
193.05005	1.0
206.63757	0.7
211.05977	1.0
213.05374	1.9
229.06961	1.8
241.05022	1.1
247.07994	1.4
258.05212	1.7
269.04410	1.0
283.06100	1.5
286.04529	0.7
287.05475	100.0
288.05798	2.7
299.05441	15.1
300.06091	2.4
303.04785	0.7
311.05521	5.3
313.07007	3.5
323.05536	1.9
325.06924	5.4
326.21292	0.7
329.06500	14.5
337.07074	5.3
341.06595	2.4
353.06543	12.6
355.08038	1.6
359.07434	1.0
365.06592	5.7
383.07565	14.8
395.07758	1.4
401.08521	7.4
419.09711	18.5
447.90549	0.7
477.79004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1539
Annotation	Antibiotic DC 114C
Peak:m/z	Relative Intensity
50.12224	0.3
67.05488	0.6
69.03416	0.4
69.07072	0.5
69.49841	0.3
70.71381	0.6
70.71753	0.7
74.98318	0.3
79.01846	0.4
79.05481	1.1
81.03399	0.8
81.07059	0.5
87.28966	0.3
91.05474	0.7
93.07013	0.7
95.04972	0.6
95.08563	0.6
104.10727	0.4
105.07016	0.6
107.01307	0.4
107.04945	1.5
107.08582	0.4
109.10146	0.6
119.08574	0.4
121.02842	0.4
121.06476	0.5
123.04426	1.0
127.03903	0.6
131.04893	0.4
135.04398	1.8
137.05959	3.2
145.02817	0.7
147.04410	1.3
149.05986	0.9
150.03133	0.4
151.03934	0.4
161.02313	1.1
161.05981	0.6
162.03110	0.6
163.03900	4.3
164.04672	1.9
166.97937	0.3
167.07062	1.9
175.03871	1.8
176.04646	2.9
177.01892	0.3
177.05505	1.5
178.06219	5.8
184.07263	0.4
191.03407	0.8
191.07054	1.4
192.07802	0.4
195.06554	0.4
199.03946	0.4
201.05399	0.8
205.04924	1.1
211.03955	0.4
213.05531	0.7
214.06155	0.5
215.03574	0.4
226.06329	0.4
229.04889	0.8
230.05563	0.4
239.03528	0.5
241.04912	0.7
254.05704	0.4
255.02901	0.5
255.06503	0.6
257.04443	1.1
257.08188	0.5
258.05197	0.4
259.09534	0.3
267.03036	0.6
268.03549	0.5
269.04489	1.1
270.05280	0.7
271.06046	0.6
281.04169	0.4
283.02356	0.6
283.06177	0.4
284.03543	0.7
284.06848	2.1
285.03934	1.3
285.07285	0.6
295.02454	0.5
297.03888	0.8
297.07510	0.5
298.04703	1.4
299.05444	1.0
311.05151	0.3
312.06277	0.5
313.03442	1.7
313.06882	0.8
315.05179	0.9
315.08633	1.1
327.05011	0.6
329.10388	0.4
339.05142	0.5
343.08063	2.4
344.08987	0.4
345.07321	0.5
362.07834	0.8
373.07016	1.0
375.04871	0.7
377.06454	0.4
389.06372	0.7
390.07352	3.6
399.07263	1.2
400.05988	0.4
401.06601	1.5
403.04315	0.6
417.05438	0.5
418.06815	1.1
429.06070	2.0
430.06671	0.5
431.03867	0.9
433.09198	1.4
443.07596	1.0
446.06259	1.0
457.05667	1.1
459.03473	0.8
459.10901	0.6
461.08566	4.9
471.07303	2.0
473.09094	1.6
474.05707	2.1
475.10110	0.7
476.10855	1.1
477.12280	1.7
486.09360	0.7
489.08096	29.5
490.08328	0.7
491.13821	0.5
503.09720	1.2
504.10226	4.3
505.11273	0.7
507.12708	1.6
519.12787	13.6
520.13336	0.5
521.10699	4.6
536.13049	1.5
551.15417	100.0
552.15735	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	551.1023
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03950	2.0
55.01872	1.7
57.03417	1.1
61.02905	1.0
65.03915	0.3
67.05486	0.3
68.99784	1.2
69.03061	0.3
69.03427	5.5
69.26742	1.4
69.27167	2.2
70.06575	0.7
71.01324	0.3
71.04973	0.9
73.02907	1.4
81.03406	7.9
84.08102	0.4
85.02393	0.6
85.02894	10.6
87.00816	4.8
91.03925	0.5
95.04963	0.5
97.02882	3.7
99.04440	2.7
105.01857	2.6
109.02869	6.8
111.00795	0.6
114.36582	0.3
117.01817	0.8
121.02850	1.0
123.04408	0.5
127.03899	9.0
129.01779	0.8
133.70529	0.3
137.02345	3.1
137.05951	0.7
145.04941	2.9
147.02831	0.5
147.04425	0.4
149.02396	0.5
153.01810	3.9
159.02876	4.2
161.05933	0.5
163.03897	1.0
165.01845	1.7
166.02583	0.5
167.07036	0.4
173.05968	0.4
177.05415	0.6
183.02846	1.0
195.02853	0.5
201.05478	2.3
219.06427	0.4
220.39178	0.3
229.04942	4.0
231.04958	1.2
247.05917	0.3
255.11226	0.3
257.04382	2.5
274.04504	0.9
285.03928	0.9
287.05536	1.0
303.04953	100.0
304.05405	1.7
345.06015	0.6
452.14130	0.3
551.11621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	3.6
69.03423	10.1
69.92693	5.9
73.31116	0.8
79.05489	2.5
85.02884	8.9
87.04457	6.8
87.93772	0.9
95.04948	1.0
97.02312	1.4
97.02883	13.6
98.20747	0.9
101.02063	1.1
103.05447	9.8
107.04926	4.7
110.03633	2.6
115.03897	7.8
119.04944	1.8
123.04416	5.8
131.04907	23.2
133.04939	3.7
135.04378	2.2
139.95509	0.8
147.04390	21.0
148.60480	1.0
149.05960	10.3
151.92445	0.8
159.04388	5.8
160.10201	0.9
165.05466	8.4
175.03883	36.7
176.04367	0.9
177.05443	35.4
187.05029	1.5
190.74463	0.8
193.04933	13.1
203.03368	38.9
204.03836	1.1
221.04422	100.0
222.04797	2.5
230.86499	0.9
239.05473	59.3
328.17719	1.0
347.14343	1.1
353.71606	1.1
460.03400	1.2
578.16779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01859	0.5
56.05005	0.2
57.03419	0.8
57.36721	0.2
59.95851	0.2
61.02913	0.9
65.03943	0.2
68.99796	1.0
69.03419	6.3
69.07048	0.2
70.06567	0.6
71.01343	0.2
71.04970	0.5
71.58592	0.3
73.02891	1.0
79.05471	0.3
81.03407	4.8
81.07026	0.2
84.08123	0.8
85.02895	6.5
86.09674	0.3
87.00816	4.4
91.03928	0.5
91.05468	0.3
93.03398	0.4
93.07034	0.3
95.04954	0.5
97.02876	3.3
99.04432	1.5
105.01853	2.3
105.03354	0.2
105.07040	0.2
107.08593	0.2
109.02860	3.3
111.00797	0.8
117.01846	0.9
118.23528	0.2
119.08508	0.2
120.08063	0.2
121.02835	1.0
121.06439	0.2
123.04414	0.4
123.08002	0.2
127.03899	5.3
129.01788	0.4
133.02925	0.2
135.04404	0.2
137.01318	0.3
137.02318	3.3
137.03354	0.3
137.05945	0.3
137.79626	0.1
145.04953	1.6
147.02861	0.3
147.04401	0.2
149.02280	0.4
153.01801	3.8
155.04900	0.2
159.02861	3.8
161.05927	0.3
163.03865	0.7
165.01804	2.1
166.02637	0.2
167.07039	0.3
173.05994	0.7
175.30815	0.2
177.05435	0.5
183.02887	0.9
183.04355	0.3
187.03931	0.5
191.03354	0.4
191.07109	0.2
195.02846	0.2
201.05423	1.8
205.04929	0.3
207.02858	0.3
207.65868	0.2
213.03828	0.4
219.06442	0.3
229.04927	3.9
231.04961	2.1
239.03397	0.3
240.08972	0.2
247.05942	0.5
255.11197	0.7
257.04410	2.6
268.14001	0.2
274.04630	0.7
275.05389	0.4
283.10742	0.3
285.03928	1.2
285.07547	0.8
303.04959	100.0
304.05258	1.6
315.05005	0.5
327.05026	0.2
341.06607	0.2
345.05969	0.7
345.09723	0.3
357.14407	0.3
369.06100	0.5
371.07666	0.2
371.29056	0.3
375.15393	0.5
393.06125	0.2
411.07089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89215	0.3
55.01863	0.4
57.03430	1.2
63.02361	0.8
69.03410	0.6
69.33156	3.4
70.06579	1.1
71.01344	1.1
73.02911	1.9
77.07710	0.3
85.02889	3.1
89.03893	4.4
91.05479	0.4
92.14299	0.3
93.07045	0.4
95.01320	0.5
96.04520	0.5
97.02881	0.7
98.21533	0.6
99.00812	0.4
101.02405	0.7
102.35153	0.3
103.03911	0.3
106.02895	1.7
110.74132	0.3
113.02361	1.1
117.03363	14.6
117.04197	0.7
124.03939	3.5
131.03351	0.7
134.03606	1.4
135.04430	0.5
137.05969	0.5
137.39137	0.3
137.48393	0.3
141.01794	0.5
145.02826	42.4
146.03123	0.5
147.04378	0.4
149.05959	4.7
163.03883	0.5
177.05444	100.0
178.05870	1.1
180.06508	1.5
186.05478	1.3
189.03273	0.3
198.07626	0.4
202.76697	0.4
203.14240	0.3
251.09146	6.3
302.07227	0.6
310.17511	0.3
315.04755	0.7
316.05258	1.0
331.07803	0.4
345.09534	1.3
346.09955	2.6
356.09766	0.5
374.12308	1.7
427.12268	4.1
456.79898	0.4
550.22144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01845	2.2
55.05508	15.2
57.03424	2.7
57.07073	24.4
67.05497	27.7
69.07068	14.6
69.39661	13.1
69.40075	3.1
71.04989	3.2
71.08627	18.5
79.05482	22.6
81.03416	2.9
81.07048	39.0
83.04970	5.1
83.08611	14.8
85.10178	9.1
91.05479	13.5
93.07035	32.9
95.04963	6.6
95.08002	3.2
95.08593	45.6
97.02898	3.4
97.06512	3.2
97.10168	6.3
99.04440	2.3
105.07016	11.5
107.04954	5.6
107.08584	28.8
109.06474	1.9
109.10152	13.1
111.11717	2.3
115.05412	1.7
117.00016	1.6
117.07034	9.6
119.08552	9.3
121.06447	4.1
121.10104	13.2
123.11707	6.3
124.01936	1.6
125.05984	1.8
129.07039	1.7
129.12259	1.9
131.08546	2.1
133.10149	3.9
135.08101	2.5
135.11674	36.1
139.07550	2.6
143.08557	1.8
145.10106	21.3
147.11700	7.7
151.14867	1.8
153.12784	1.8
158.28575	1.8
163.11166	51.0
165.12805	2.7
173.09706	1.9
181.12207	9.4
209.11786	3.8
227.12759	100.0
228.13148	2.6
267.15961	4.2
427.17319	1.6
531.40619	2.1
549.24805	6.0
549.41449	70.2
550.41736	3.0
559.58179	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	549.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01847	0.6
56.84171	0.4
57.03414	1.1
60.74817	0.5
67.05489	0.7
69.03412	1.2
69.07034	0.9
70.06571	0.9
71.63454	0.4
79.05476	1.2
80.95387	0.4
81.03404	0.5
81.07040	1.1
85.02877	3.0
87.79456	0.5
91.05457	1.9
93.07028	0.7
95.04923	0.9
97.02868	1.5
97.06506	1.3
103.00655	0.4
103.03928	0.9
103.05473	0.7
103.35771	0.5
105.03395	1.1
105.06999	1.8
107.04942	2.1
109.02842	0.6
111.04406	0.6
115.05400	1.2
117.06998	1.9
119.04919	1.1
121.02798	0.6
121.06471	0.6
123.04419	8.3
128.06178	1.4
129.06995	3.8
131.04906	2.2
131.08522	1.3
133.02846	0.7
133.06470	1.2
134.03601	2.1
135.04405	3.5
137.02318	1.9
137.05922	2.3
141.06973	0.8
142.07762	0.7
143.08467	0.7
145.02818	0.9
145.06448	1.7
145.10091	1.7
147.04405	5.4
147.08003	0.8
149.02310	0.8
149.05946	2.0
151.03880	1.8
152.01038	5.3
153.01811	4.1
153.06953	0.8
155.08543	2.9
157.06467	3.1
157.10097	2.0
159.04385	0.7
159.08008	2.3
160.05162	1.8
161.02272	2.4
161.05948	5.8
163.03897	3.6
163.07532	1.1
165.05452	1.2
165.06927	1.1
167.03409	1.2
167.04796	0.6
167.07001	4.3
167.08565	2.3
170.02055	3.2
171.08006	0.8
173.05959	3.2
173.09546	2.2
175.03951	2.4
175.07529	8.2
175.11118	0.8
177.05440	3.7
177.09084	0.6
179.03381	3.8
179.07106	0.5
181.05043	0.7
183.08072	2.2
184.05183	1.1
185.05994	3.7
185.09564	2.9
186.06729	0.5
187.03903	0.7
187.07506	5.5
189.05388	2.2
189.09062	2.6
191.03452	0.6
191.06981	0.6
191.10593	1.0
195.08060	2.8
198.06682	0.7
199.07588	1.0
201.05405	2.1
201.09084	29.9
202.06242	1.2
203.03392	1.6
203.07043	1.0
203.10661	1.8
205.04965	1.9
211.07683	0.6
212.04614	1.3
213.05475	1.7
213.09084	6.7
215.03448	0.8
215.06996	2.1
217.04938	1.0
217.08524	0.9
219.10132	2.1
229.04924	2.1
230.05641	2.7
231.06372	0.7
231.10104	2.1
233.04437	0.9
233.08086	1.6
241.04947	5.0
241.08534	5.2
243.64386	0.5
245.04356	1.0
245.08051	2.5
255.06483	0.8
258.05225	0.8
259.09528	2.3
263.05438	0.7
269.04462	5.6
285.03928	1.2
286.04684	12.8
301.07025	100.0
302.07370	3.6
302.45386	0.4
307.09650	0.9
319.09769	0.8
329.11661	0.7
345.10806	0.7
347.12854	1.2
349.11090	0.6
357.11386	1.3
375.12216	2.8
393.13312	2.0
411.14142	2.0
417.13217	0.8
435.14435	1.0
495.16037	0.6
513.17261	1.0
531.19031	0.8
549.10333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1595
Annotation	Molludistin 2''-O-xyloside
Peak:m/z	Relative Intensity
55.01840	0.4
57.03436	1.8
59.04966	0.4
69.03423	5.2
69.55887	0.3
70.06565	0.6
71.59196	0.7
79.05451	0.4
80.99767	0.3
81.04508	0.3
85.02886	4.0
87.04465	1.9
91.05437	0.8
97.02890	3.5
105.03365	0.4
107.04945	2.0
108.18327	0.3
109.02872	0.5
115.03898	0.8
119.04906	1.4
121.02817	1.4
121.06459	0.4
123.04391	0.5
127.03953	0.3
131.04866	1.0
131.26315	0.3
133.02827	0.5
135.04381	0.8
137.02296	0.8
137.05933	0.6
145.02789	1.1
145.06430	0.4
146.03525	0.4
147.04419	1.7
149.02353	0.8
151.03853	0.8
153.06995	0.4
157.06381	0.6
161.02306	0.7
161.05890	0.4
163.03842	0.5
165.06955	1.0
167.03282	0.6
167.08575	1.0
169.06415	0.4
170.03596	0.5
171.04411	0.5
175.03865	0.6
177.05510	0.6
177.06976	0.6
179.03351	1.7
181.06442	0.6
183.07988	0.6
189.05377	0.8
194.07236	0.5
195.04398	0.9
195.08008	2.1
197.05843	0.9
201.05359	0.6
209.09505	0.4
211.07567	1.0
213.05431	1.0
213.09061	0.6
219.08109	0.4
223.07452	3.4
225.09126	0.8
226.06201	0.7
229.99042	0.3
236.08284	0.5
237.09094	0.9
239.06990	9.6
240.07767	8.2
241.05000	0.6
241.08458	1.9
251.06996	0.5
251.10712	0.9
252.07658	0.7
253.08542	0.5
253.87662	0.3
255.06540	1.8
257.78366	0.3
263.07065	0.6
264.07684	0.4
265.08615	0.8
267.06476	56.6
268.07251	32.1
269.04889	0.7
269.07965	3.1
276.15375	0.3
279.06479	8.3
280.06845	0.5
281.08032	10.3
283.06055	0.5
285.54599	0.4
289.08487	0.9
291.06473	1.0
292.07187	2.5
293.08075	3.2
295.06131	3.5
295.09537	0.6
296.06729	0.4
297.07535	94.7
298.04730	0.4
298.07932	2.0
300.06296	0.4
301.07001	6.2
305.08038	1.2
306.08823	0.6
307.06000	2.6
307.09518	16.9
308.09967	0.4
309.07547	2.7
311.09122	1.3
317.07971	0.6
321.07538	22.0
322.07880	0.5
323.08997	0.7
327.08578	3.6
333.07462	1.3
335.09070	8.5
339.08560	1.3
345.07904	0.4
351.08566	14.0
363.08582	11.0
369.19711	0.4
381.09650	18.8
382.10086	0.7
399.10693	30.8
400.10825	1.1
417.11743	100.0
418.12085	2.5
513.13141	0.4
531.15497	0.7
549.15973	21.0
550.16144	0.7
559.67188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	0.9
55.08412	0.3
57.03439	0.6
61.02921	0.7
65.03936	0.8
66.04703	0.9
67.05494	2.5
68.99790	0.9
69.03428	3.8
69.49430	3.2
73.02900	0.5
77.03922	0.8
79.05479	2.6
81.03413	3.7
81.07049	1.0
85.02894	6.2
87.00808	2.2
91.05481	1.9
94.04181	0.9
95.04962	5.3
97.02876	1.3
99.04427	1.1
105.01840	1.7
105.07047	0.4
107.04953	1.5
108.05728	0.7
109.02848	2.7
109.06506	10.6
119.04959	1.1
121.06482	0.7
123.04414	67.6
127.03898	5.3
135.04384	1.7
135.08038	1.0
136.16510	0.3
137.05956	8.1
139.07500	2.2
145.04941	0.8
145.83804	0.3
147.04385	17.8
148.05147	0.4
151.07539	1.4
153.05421	0.7
155.07002	6.2
159.02840	1.6
163.03877	4.2
163.07504	1.6
167.07014	100.0
168.07333	1.3
177.05389	0.6
179.07025	3.6
189.05457	0.7
191.07011	2.1
207.06517	2.1
231.05104	0.7
255.06325	0.4
273.11243	0.9
286.08014	0.5
292.04855	0.5
299.09000	1.4
301.10663	28.6
302.10938	0.8
325.10498	0.8
343.11816	0.9
367.11395	0.4
391.12131	0.4
549.09662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1233
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
50.25641	0.2
51.63768	0.2
56.02121	0.2
68.48375	0.2
69.03422	0.3
69.25681	0.5
69.26094	2.3
77.90795	0.2
78.65425	0.2
85.02881	0.5
85.12941	0.2
94.96325	0.2
97.02837	0.3
105.07013	0.3
108.18633	0.2
121.06451	0.2
123.00769	0.5
123.04409	0.4
124.01591	0.3
127.03902	0.2
128.94930	0.2
129.06973	1.0
131.04924	0.3
134.03633	1.7
135.04353	0.3
137.05901	0.5
139.05313	0.3
141.06956	0.2
147.04431	0.3
149.05957	0.4
152.01019	5.6
153.01799	3.8
157.06470	0.9
161.05984	0.3
163.03798	0.3
167.04935	0.5
167.07031	1.0
170.02065	2.6
174.06688	0.3
175.03908	0.8
175.07501	0.4
177.05481	0.4
184.05150	0.8
185.05965	2.4
195.04411	0.7
199.07516	0.2
201.05421	0.6
201.09111	1.0
202.06287	1.6
212.04649	1.0
213.05461	1.9
227.07034	0.3
229.04976	2.0
230.05705	3.0
233.04248	0.2
240.04074	0.3
241.04921	7.3
242.05359	0.3
245.08041	2.8
255.06488	0.7
258.05322	0.6
269.04401	5.8
273.07596	0.3
285.03763	1.6
286.04663	12.8
287.05154	0.5
301.07013	100.0
302.07297	1.6
549.10687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79382	0.1
66.90330	0.1
69.03413	0.4
69.24253	1.8
71.43179	0.1
79.05470	0.2
81.03405	0.3
81.07022	0.2
84.08122	0.2
85.02898	0.3
86.12249	0.2
91.05447	0.4
95.04948	0.2
97.02863	0.6
97.06529	0.3
98.21445	0.2
99.38071	0.1
103.05415	0.2
105.03257	0.1
105.07024	0.2
107.04912	0.3
109.02884	0.2
115.05402	0.2
121.02866	0.2
121.06489	0.2
123.00771	0.3
123.04412	0.5
124.01506	0.4
127.03908	0.2
128.06183	0.2
129.07002	1.1
131.04831	0.1
133.06435	0.2
134.03622	1.7
135.04401	0.3
137.02330	0.3
137.05972	0.8
138.31601	0.1
139.05403	0.3
145.02750	0.2
145.10091	0.2
147.04373	0.4
147.08014	0.2
149.05971	0.3
151.03783	0.2
152.01022	5.5
153.01814	4.3
157.06450	0.8
157.10060	0.2
161.02293	0.2
161.05945	0.5
161.09560	0.2
163.03894	0.4
167.04897	0.8
167.07042	0.8
167.08299	0.2
169.06488	0.2
170.02090	3.3
173.05959	0.4
173.09592	0.2
175.03853	0.8
175.07512	0.4
177.05331	0.3
179.03387	0.2
184.05125	0.7
185.05977	2.5
185.09637	0.3
187.07486	0.2
189.09055	0.2
195.04424	0.6
199.07523	0.3
201.05397	0.5
201.09076	1.3
202.06206	1.1
203.10635	0.2
212.04659	1.3
213.05455	1.9
213.09079	0.3
219.10254	0.3
223.03847	0.3
227.07050	0.6
229.04901	1.9
229.20830	0.1
230.03452	0.2
230.05714	2.9
231.10144	0.3
240.04263	0.2
241.04935	6.9
241.08667	0.3
245.08083	2.5
255.06516	0.6
258.05225	0.6
269.04422	5.5
285.03903	1.8
286.04691	13.6
287.05063	0.2
301.07022	100.0
302.07385	1.8
304.07239	0.1
339.11157	0.2
433.15298	0.1
454.75955	0.2
499.66699	0.2
549.10809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
64.06284	0.1
65.07303	0.1
68.99778	0.3
69.03391	0.2
69.28994	0.9
69.29418	0.3
70.06561	0.1
81.03388	0.3
82.56345	0.1
85.02876	0.3
87.00784	0.1
89.03899	0.1
90.40359	0.1
91.05476	0.1
97.02876	0.2
97.06522	0.2
99.04489	0.1
109.02837	0.2
111.00774	0.2
115.05389	0.1
123.00782	0.8
123.04368	0.2
124.01572	0.4
127.03884	0.4
129.06985	0.2
131.04881	0.5
133.02849	0.1
134.03619	2.2
136.06104	0.1
137.05972	0.3
141.06963	0.2
145.06396	0.2
147.04346	0.2
149.02310	1.0
149.05925	0.1
151.03806	0.1
152.01031	0.3
153.01807	7.5
157.06511	0.3
161.02278	0.2
161.05905	0.2
167.06940	0.1
169.06441	0.1
170.02071	0.7
171.04407	0.2
175.03859	0.4
176.88071	0.1
177.05399	0.2
185.05885	0.5
187.03859	0.2
197.05923	0.3
199.03864	0.7
201.05504	0.2
202.06245	0.7
212.04665	0.3
213.03616	0.2
213.05444	2.1
222.43831	0.1
229.04909	4.1
230.05707	2.6
231.04704	0.1
240.04050	0.2
241.04922	9.6
242.05354	0.3
245.08101	1.1
257.04431	0.2
258.05255	0.9
268.03613	0.2
269.04422	8.6
270.04993	0.2
273.07507	0.5
283.05801	0.2
285.03922	1.0
286.04678	15.0
287.05093	0.4
301.07019	100.0
302.07367	1.9
463.12164	0.4
549.12085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1229
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03955	0.2
67.01862	0.3
67.16953	0.2
68.99792	0.5
69.03432	0.4
70.46928	0.4
77.93823	0.2
79.05477	0.3
81.03415	0.5
85.02894	0.4
91.05498	0.4
92.22626	0.2
93.35769	0.2
95.04979	0.4
97.02904	0.5
97.06522	1.1
103.48828	0.2
107.04953	0.4
109.02881	0.4
111.00826	0.2
117.03382	0.2
119.04955	0.8
121.06477	2.4
123.04401	1.2
125.05993	0.3
127.03879	0.3
131.04959	0.3
133.10310	0.2
134.03621	0.7
135.15910	0.2
137.02286	0.2
137.05952	1.1
139.03914	0.3
145.02808	0.2
145.06441	0.4
147.04407	0.3
148.05212	0.4
149.02328	1.4
149.05943	1.5
151.03903	0.5
153.01805	15.5
157.06586	0.2
161.06015	0.7
163.03883	0.8
165.01848	0.4
167.06987	1.5
171.02888	1.2
171.04350	0.4
175.03900	2.6
176.04665	0.4
177.05460	1.0
178.06281	0.3
184.05109	0.2
187.07635	0.2
189.05440	1.7
202.06216	0.3
203.06998	0.2
213.05452	1.5
217.04878	0.5
219.10190	0.6
227.07031	0.8
229.04929	0.7
230.05667	0.6
240.04198	0.6
241.04918	9.7
242.05673	0.3
243.02826	0.3
245.08081	3.5
255.06464	0.6
257.08234	0.3
258.05252	0.7
259.09671	0.3
268.03598	2.2
269.04440	0.8
273.07547	2.6
283.06033	2.6
285.03955	0.3
286.04605	0.8
301.07022	100.0
302.07346	1.6
431.03735	0.2
463.12180	0.6
473.04736	0.3
501.04272	1.3
516.06549	0.4
521.10999	0.3
549.10175	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	549.1229
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
51.82297	0.1
53.03940	0.1
55.01846	0.1
68.99762	0.3
69.03426	0.3
71.62239	0.2
81.03402	0.5
85.02901	0.6
86.09686	0.1
87.00817	0.3
89.03941	0.2
97.02851	0.3
97.06490	0.5
102.43987	0.1
105.01867	0.2
109.02850	0.3
121.06469	0.2
123.00754	0.4
123.04425	0.2
124.01541	0.4
127.03912	0.6
131.04906	0.4
134.03616	2.2
137.02361	0.2
137.05952	0.5
145.04875	0.1
145.06435	0.2
147.04396	0.2
149.02353	0.7
149.06013	0.1
152.01007	0.5
153.01805	6.1
157.02739	0.1
157.06435	0.3
159.02858	0.3
161.02417	0.1
161.05939	0.2
167.07022	0.4
170.02058	0.8
171.04451	0.2
175.03842	0.2
177.05438	0.3
177.12839	0.1
179.03394	0.2
185.05945	0.5
187.03909	0.3
197.06041	0.2
199.03854	0.5
201.05396	0.2
202.06235	0.5
213.05438	2.5
219.09967	0.2
229.04918	3.7
230.05695	2.2
241.04912	8.5
242.05385	0.2
245.08076	0.9
257.04492	0.2
258.05258	0.9
268.03592	0.2
269.04407	11.7
270.04733	0.2
273.07483	0.4
283.05881	0.2
285.03799	1.0
286.04678	14.6
287.04968	0.2
288.08817	0.1
301.07010	100.0
302.07373	1.4
343.28455	0.1
345.09500	0.2
463.12375	0.3
474.10660	0.1
549.11053	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	549.123
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03928	0.3
55.64585	0.2
57.03434	1.1
69.03403	0.6
81.03398	1.1
83.76732	0.2
85.00533	0.2
85.02896	1.5
87.00796	0.3
97.02875	0.4
105.01826	0.2
109.02830	0.6
121.02795	0.3
127.03890	0.7
135.04433	0.3
137.02324	9.5
139.03844	0.3
141.06938	0.6
141.79562	0.2
145.04932	0.3
147.04387	0.7
149.02373	0.4
150.03099	0.9
157.06454	2.0
163.03893	0.4
169.06493	0.6
171.04305	0.3
171.08031	0.4
175.03903	0.3
185.05956	1.0
187.03963	1.2
188.04665	0.4
189.05472	1.6
191.03352	0.5
193.04953	0.7
194.02174	0.4
196.05287	0.4
197.05975	3.9
199.03868	0.5
211.07532	0.7
212.04671	0.9
213.05444	13.8
215.03380	0.9
217.04977	0.6
225.05389	1.3
227.07008	2.1
240.04076	0.4
240.65338	0.2
241.04916	13.8
245.08008	1.2
255.06441	2.8
268.03549	1.4
269.04434	14.7
273.07642	0.3
283.06006	2.1
286.04721	3.5
301.07028	100.0
302.07327	1.7
387.32898	0.2
420.42072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1233
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.79367	0.1
65.06622	0.1
67.05493	0.1
68.99775	0.4
69.03405	0.3
70.72087	0.4
78.04728	0.1
81.03391	0.5
85.02882	0.6
89.03900	0.2
91.05443	0.2
97.02860	0.4
97.06490	0.4
101.55413	0.1
105.07030	0.2
109.02843	0.3
117.03375	0.1
117.06995	0.2
119.08578	0.1
121.06474	0.1
123.00756	0.4
123.04379	0.7
124.00712	0.1
124.01569	0.4
127.03880	0.9
129.06937	0.1
131.04877	0.3
131.96082	0.1
134.03606	2.3
135.04372	0.2
137.05980	0.5
145.02846	0.2
145.04884	0.2
145.06483	0.2
147.04370	0.3
149.02319	1.0
151.03802	0.2
152.01018	0.6
153.01802	7.2
157.06456	0.3
159.02882	0.3
161.02345	0.2
161.05951	0.2
163.03810	0.2
167.07027	0.5
170.02075	0.8
171.04411	0.2
175.03886	0.2
177.05406	0.3
185.05956	0.5
197.05908	0.2
199.03900	0.6
201.05417	0.2
202.06247	0.6
203.03265	0.2
212.04575	0.2
213.05444	2.4
227.03320	0.2
227.07123	0.1
229.04916	4.0
229.08359	0.2
230.05701	2.4
240.04163	0.2
241.04922	9.2
245.08038	1.1
247.52460	0.2
255.06454	0.2
257.04373	0.2
258.05261	0.7
265.08295	0.1
268.03506	0.2
269.04404	12.9
270.04831	0.2
273.07468	0.3
285.03882	1.0
286.04672	15.5
287.05014	0.3
301.07016	100.0
302.07373	1.5
339.12085	0.2
344.76880	0.1
345.09714	0.4
361.15204	0.1
463.12222	0.4
549.11487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
56.80478	0.3
57.03418	0.9
68.99791	0.3
69.03421	1.5
70.06565	1.0
71.60318	0.3
72.08171	0.3
81.03403	1.0
81.07066	0.3
84.08125	0.8
85.02889	2.6
86.09686	1.3
87.00839	0.4
97.02892	1.3
99.04434	0.3
107.04972	0.3
109.02905	0.7
123.08045	0.4
124.42129	0.3
127.03897	0.8
129.10236	0.5
133.02852	0.4
135.04399	0.4
137.02324	8.4
137.05949	0.5
139.03894	0.5
140.51384	0.3
141.06970	0.9
145.04938	0.4
147.04384	0.8
149.02312	0.3
150.03108	0.7
151.07513	0.7
157.06461	1.8
159.02948	0.3
163.03923	0.4
169.06482	0.7
171.04338	0.4
175.03896	0.5
184.05180	0.4
185.05954	0.8
187.03918	0.8
188.04680	1.0
189.05443	1.9
189.12674	0.6
191.03371	0.9
192.04150	0.3
193.04976	0.7
196.05121	0.4
197.05965	3.9
201.05507	0.3
211.07587	0.7
212.04622	0.9
213.05450	12.1
215.03374	0.8
217.05003	0.4
224.04674	0.5
225.05450	1.4
227.06920	1.5
231.06635	0.5
240.04066	0.4
241.04932	13.5
242.05304	0.5
245.08090	1.3
253.04797	0.3
255.06477	2.8
268.03644	1.2
269.04413	13.5
273.07523	0.6
283.05978	1.6
286.04651	3.4
301.07025	100.0
302.07330	1.6
314.12186	0.4
369.19070	1.0
479.38538	0.4
489.15475	0.4
549.09778	0.5
549.17157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
56.96555	0.2
57.03423	0.3
57.68697	0.1
65.03926	0.2
67.05488	1.2
69.03426	0.6
70.23165	0.7
70.23513	0.3
79.05473	0.3
81.03428	0.2
83.04971	0.3
85.02893	0.9
87.00826	0.2
87.04427	0.3
94.06555	6.4
95.04971	0.3
96.04488	0.3
97.02898	0.8
98.20745	0.2
101.14752	0.1
102.09387	0.2
103.49757	0.1
106.06541	2.1
109.02879	0.3
115.03934	0.2
122.06020	4.9
127.03899	0.4
145.04953	0.2
150.05487	100.0
151.05849	1.2
168.06544	40.4
169.06900	0.5
177.05429	0.2
261.32947	0.2
344.43118	0.2
416.11282	0.2
548.15851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02016	0.3
55.01852	0.4
58.48780	0.3
63.33170	0.3
68.99765	0.7
71.19431	0.7
79.05481	0.6
84.08107	0.4
85.02882	0.4
91.05463	0.7
93.03427	0.3
95.04942	0.5
97.02882	0.6
97.06547	1.6
105.07036	0.4
107.04923	1.6
121.02932	0.4
121.06474	0.7
123.04417	0.8
133.02844	0.5
135.04410	1.0
137.05951	1.1
139.07524	0.9
145.02774	0.5
147.04395	0.9
149.05972	1.9
151.07539	0.9
153.05434	0.5
159.04471	0.4
161.06001	0.6
163.03925	2.2
164.04724	0.5
167.07045	3.8
177.05432	4.3
178.06242	3.5
179.03391	0.8
179.07028	1.4
181.08612	0.4
188.25189	0.3
189.01752	0.4
190.11819	0.4
191.07094	0.8
193.04948	0.6
194.09402	0.3
195.06519	0.5
199.03931	0.3
201.05440	0.4
202.02611	0.3
205.04919	4.7
211.03839	0.5
215.03409	0.7
219.06520	0.4
219.10234	0.5
231.02774	0.4
239.03383	0.6
241.04854	0.6
253.04843	0.4
255.02966	0.4
259.09781	0.5
269.04453	0.5
271.02478	0.7
281.04404	0.9
283.02371	0.6
285.04071	0.4
285.07605	0.5
287.01807	0.9
295.02493	0.5
297.03851	0.7
301.07050	1.5
312.02686	0.4
312.06244	1.1
313.07040	0.5
317.04373	1.1
317.07959	0.5
327.01288	0.4
330.05157	0.7
333.03738	0.5
339.18784	0.3
341.03009	0.3
343.06094	0.6
344.08942	1.2
345.03989	0.9
346.04654	0.4
347.05371	0.7
353.02905	0.4
355.00842	0.3
358.04712	0.9
359.05493	0.5
361.03192	0.6
363.04858	0.4
371.05530	0.5
372.06119	0.5
373.07220	0.6
375.05057	0.8
376.05667	0.4
383.05487	0.7
386.04114	0.8
389.02631	0.8
389.06946	0.5
391.07867	0.4
399.04803	1.2
401.06802	2.1
402.03494	0.4
403.04160	2.1
414.03452	0.4
415.04117	0.7
417.06000	1.2
421.05536	0.5
427.04260	0.7
428.05121	0.4
429.06070	4.0
431.03693	5.1
439.04898	0.5
443.08029	0.6
445.05408	2.7
446.06171	0.4
447.06461	0.5
455.03491	0.5
457.05392	1.5
461.08694	1.3
463.06439	0.5
471.07376	0.9
473.05057	6.4
475.06265	0.5
487.06442	1.1
488.07538	2.1
489.08109	0.6
499.06741	2.1
501.04437	20.0
502.04608	0.5
503.05884	2.0
505.11240	0.7
515.05872	0.6
516.06854	4.9
517.07611	1.1
519.05939	0.8
521.10693	2.9
531.09399	1.2
549.10217	100.0
550.10730	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	547.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.9
55.01874	10.5
55.05248	3.0
55.05506	47.6
56.40940	2.0
57.03434	17.7
57.07067	10.6
58.78168	1.7
65.03914	2.9
67.05495	100.0
69.03413	5.0
69.07057	40.4
69.30473	23.1
71.04966	5.6
71.08602	4.9
72.04501	9.2
79.05484	53.2
80.05750	2.2
81.03404	57.2
81.07044	97.0
83.04961	8.5
83.08610	35.6
85.06522	4.8
86.75842	2.2
90.50861	2.0
91.04929	3.3
91.05461	40.6
93.06442	3.1
93.07032	56.2
95.04401	3.6
95.04962	41.6
95.08595	70.5
97.06503	10.4
97.10159	27.8
98.21458	5.2
99.08010	2.9
105.07016	44.0
107.04943	16.0
107.08583	33.4
109.06498	9.0
109.10138	32.0
111.08063	11.7
111.11673	3.0
117.06981	9.7
119.08566	28.8
121.06496	11.0
121.10133	23.0
123.08042	6.3
123.11687	12.2
125.09621	12.7
125.13155	2.2
129.06972	10.0
131.08546	20.7
133.06491	5.6
133.10129	22.5
135.08026	6.8
135.11699	13.0
137.09561	4.0
143.08527	6.0
145.10110	19.1
147.08017	5.1
147.11661	15.1
149.09651	4.6
149.13254	7.5
151.14774	2.6
153.09091	2.5
157.10110	12.4
159.11678	7.2
160.64461	2.1
161.13219	4.2
163.11171	10.9
163.14767	4.7
164.11330	2.1
165.12735	3.2
169.10179	3.4
171.11647	3.5
173.13310	4.0
175.11150	6.6
175.14896	6.1
177.12729	3.7
177.16266	2.1
179.14182	2.2
185.13194	3.2
187.11064	2.0
187.14781	3.9
189.11212	9.2
189.16373	2.5
193.12218	24.5
199.14815	3.3
201.16382	2.9
205.12199	2.7
207.13785	2.2
211.13205	3.9
227.12766	13.9
228.13162	3.3
241.17928	3.1
243.88245	2.0
245.22668	6.9
249.14902	5.4
263.23703	7.1
267.15891	48.1
287.23544	3.2
289.21628	4.2
301.25269	2.9
302.89972	2.1
303.23434	4.3
303.26685	17.8
337.27304	46.6
361.27216	2.8
363.25577	2.7
421.25964	4.1
435.27368	2.6
437.34000	9.0
455.35156	25.6
473.36273	16.7
511.37851	4.1
529.38745	80.6
547.39789	88.2
548.40302	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	547.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
60.22743	0.5
67.05480	1.3
69.03400	2.3
76.14684	0.5
77.05677	0.6
79.05457	1.0
81.03384	1.5
81.07027	1.2
84.52167	0.6
85.02900	4.9
85.07654	0.5
85.58176	0.5
91.05445	1.5
93.06992	0.7
95.04929	1.3
95.08581	0.9
97.02859	2.1
97.06492	2.3
98.21569	0.6
105.06989	1.7
107.04876	0.9
107.08553	0.8
109.02876	0.6
109.10089	1.1
117.03378	0.6
119.04894	1.1
121.02835	1.5
121.06441	0.9
123.04399	1.4
127.03899	1.6
131.04890	0.7
133.06473	0.7
134.03622	0.8
135.04401	0.6
135.11682	0.7
137.05933	2.1
145.02824	1.0
145.06503	0.6
147.04355	1.2
147.11699	0.7
149.06023	0.7
152.01041	1.1
153.01787	1.1
157.06435	0.6
161.05972	2.3
163.03883	1.3
165.01802	2.4
165.05486	0.6
167.03403	0.7
167.06996	4.4
167.76711	0.7
175.03870	0.8
177.01799	1.9
177.05467	3.1
183.02852	2.3
183.07979	0.7
185.05974	0.6
187.03845	0.6
189.01782	0.6
189.05463	0.7
191.03374	2.6
192.07799	0.9
195.02876	10.9
201.05464	2.8
203.03358	1.0
211.07489	1.2
213.05428	2.3
219.02853	4.3
220.28603	0.6
221.04349	1.1
225.05334	0.7
231.02797	3.1
231.06519	1.4
239.07079	2.8
241.04997	1.6
243.10144	1.6
249.03909	1.6
253.04915	1.3
255.06505	0.9
256.07248	3.7
261.03937	2.5
267.06598	1.3
269.04483	1.2
279.04919	0.8
281.07965	1.7
282.05075	0.9
284.06747	47.6
285.07135	1.0
292.07175	1.1
295.06055	1.2
295.09515	1.1
297.07602	1.3
298.04688	7.6
299.09097	100.0
300.09372	3.0
301.07080	0.7
303.06476	1.3
306.08890	0.7
307.09744	1.2
309.07529	2.4
310.04617	1.2
313.06985	14.9
317.08063	1.0
320.06815	0.7
323.05539	1.3
323.08997	0.7
325.07004	3.6
325.10550	1.2
334.08310	1.6
335.09061	2.3
337.07047	7.2
337.10788	0.6
338.07526	1.5
339.12125	0.7
349.10651	2.6
351.08548	1.0
352.09332	9.7
355.11688	2.2
367.11716	100.0
368.12012	2.3
385.12668	4.6
397.12784	3.3
409.12662	2.0
427.13931	0.8
451.13715	2.6
463.14017	1.8
511.16492	0.8
529.16895	0.8
547.15485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1805
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
55.01850	0.4
57.03421	0.8
61.02916	0.5
67.05475	1.0
67.89751	0.3
68.81889	0.3
69.03424	2.0
70.06605	0.3
71.63584	0.6
72.81849	0.3
78.52616	0.3
79.05472	1.2
81.03385	1.4
81.07043	0.6
83.45737	0.3
84.08138	0.5
85.02893	3.4
91.05485	0.8
93.07034	0.4
95.04917	0.5
95.08622	0.4
97.02879	2.3
97.06532	0.7
101.25312	0.4
104.15121	0.4
105.07037	0.7
107.04931	1.5
109.02842	0.7
115.86975	0.3
116.67437	0.3
117.03365	0.4
119.08519	0.4
121.02841	0.6
121.06477	0.4
121.10085	0.4
123.04403	0.5
127.03873	1.1
133.06419	0.3
134.03639	0.7
135.04384	0.4
137.05904	0.8
145.02837	0.5
145.04945	0.6
147.04385	1.2
149.02266	0.4
149.05910	0.7
153.01851	0.5
157.83600	0.3
161.05998	0.4
163.03873	0.6
165.01825	0.6
167.07028	5.1
172.05258	0.4
175.03870	0.4
177.01836	1.0
177.05493	1.2
177.09131	0.4
183.02901	0.8
189.05435	0.5
191.03403	0.6
195.02820	4.0
200.04588	0.4
201.05415	1.1
203.03421	1.1
205.08551	4.4
213.05444	0.4
219.02844	1.2
221.04431	1.4
225.05383	0.4
231.02919	0.9
231.10075	0.6
236.06708	0.8
241.04829	0.4
246.06479	0.3
249.03952	0.4
251.07179	0.4
253.05049	0.5
255.06644	0.5
256.07474	0.5
261.03925	1.2
261.08939	0.5
263.06827	0.4
265.04865	0.6
267.06451	1.3
270.05264	0.6
277.08664	0.7
279.10110	0.4
281.05145	0.4
281.07980	1.7
282.05148	0.7
289.08603	0.4
295.05923	1.5
295.09579	1.0
297.07538	1.3
298.04700	6.7
299.09119	2.9
307.09604	0.7
309.07407	2.6
310.04724	1.5
310.08112	0.3
311.09033	0.4
311.12460	0.5
313.07016	14.2
317.07867	0.9
321.11118	0.5
323.05475	1.4
323.09094	0.6
324.06253	0.6
325.06998	3.3
325.10721	0.9
333.07849	0.5
334.08411	1.9
335.09152	0.8
337.07040	6.5
338.07620	1.6
339.08658	0.8
339.12250	0.7
349.10553	2.8
351.08704	1.0
352.09341	10.2
367.11710	100.0
368.11951	2.3
385.12549	3.2
397.12772	0.5
409.12875	0.4
451.13919	0.7
463.13968	0.5
529.17181	0.6
547.14612	0.6
568.52148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.9
69.03402	2.5
70.06583	1.8
79.05478	3.2
83.04963	2.6
85.02872	6.4
91.05443	3.4
94.04142	2.2
97.02862	4.2
97.06522	2.9
98.21417	4.0
105.03367	2.9
105.07005	2.4
111.04379	2.0
111.82755	1.7
115.05434	1.7
119.04889	3.5
122.03606	2.6
123.55576	1.7
131.04854	2.6
137.05952	55.2
143.04819	2.3
147.04395	5.2
151.03868	4.2
158.03651	2.2
160.45865	1.9
161.05946	7.2
162.06767	3.4
165.01759	3.1
167.07039	3.5
173.05930	5.0
175.03848	2.3
175.14764	1.9
177.01801	2.7
177.05371	4.0
183.02846	3.5
186.03127	4.2
189.06941	3.3
189.08945	2.0
191.03304	2.3
195.02863	13.3
201.05435	52.9
205.06502	10.0
206.07204	4.1
213.05421	5.2
217.06491	2.8
218.07375	1.8
219.02887	4.8
219.08115	2.3
221.05956	2.3
222.06702	3.0
229.75171	1.8
231.06464	5.1
233.06024	8.9
234.06750	18.6
235.07518	4.2
237.09093	4.3
245.05930	3.9
247.07567	3.9
249.09018	6.9
250.06291	4.7
251.06964	3.7
262.06259	14.8
263.06909	5.2
264.07736	3.4
265.08585	14.6
266.09039	3.1
267.06726	2.2
272.05017	1.9
273.05432	5.4
274.06314	3.0
276.07693	2.3
277.08575	20.2
278.05560	2.4
279.10190	2.2
282.08841	2.5
287.06796	2.7
290.05679	26.3
291.06171	3.5
292.07187	5.3
293.08032	11.1
294.08774	3.5
297.11325	2.0
299.09320	2.3
305.08029	45.2
306.08646	2.8
307.09641	14.7
309.11020	3.3
319.09607	5.5
322.08234	3.1
325.10675	49.5
326.10989	2.2
337.10672	100.0
338.10971	3.7
355.11566	13.0
367.11505	2.7
385.12259	2.9
399.04858	3.1
484.81192	2.2
547.08759	10.7
547.33893	4.2
554.82605	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	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69512	1.2
53.64099	1.3
57.03429	1.3
59.52147	1.3
60.03569	1.2
65.02891	1.4
65.34376	1.2
67.05499	1.9
69.03420	3.7
70.06576	2.0
71.04959	1.4
71.59449	2.1
79.05464	1.7
81.03398	1.8
83.04971	2.3
85.02883	3.5
91.05479	3.8
94.04136	1.5
95.04918	1.9
97.02876	4.0
104.02232	1.1
105.06991	1.5
107.04971	2.5
109.02856	1.6
113.24067	1.5
119.04858	2.5
121.02854	2.3
122.03622	4.0
123.04390	2.8
127.03912	3.4
128.06177	1.3
131.04874	1.7
137.05960	56.6
140.78639	1.5
143.04839	1.3
145.06459	3.0
147.04370	6.4
151.03882	3.7
158.03629	3.1
160.05173	1.4
161.05992	9.6
162.06718	3.1
165.01770	2.5
167.07007	4.4
173.05898	4.7
175.03848	2.8
175.07526	1.7
177.01756	1.6
177.05481	3.0
177.06970	2.4
186.03082	2.5
187.07553	1.4
189.05482	1.4
189.07001	4.1
189.09129	2.2
191.06845	2.3
191.08444	1.8
195.02927	8.0
201.05440	52.7
203.03236	1.4
205.06525	8.5
206.07193	5.0
207.06418	1.6
213.05525	7.5
217.06441	3.3
217.08397	2.1
218.07248	2.9
219.02927	1.8
221.06047	1.9
222.06700	4.7
223.07414	1.6
231.06464	6.4
233.06027	8.4
234.06696	22.2
235.07417	3.8
237.09085	3.6
245.05959	4.8
247.07559	3.2
248.08296	2.9
249.05580	1.6
249.09021	8.1
250.06247	3.0
251.07054	3.2
261.05405	3.7
262.06238	19.8
263.06921	5.2
264.07681	1.5
265.04715	1.2
265.05966	1.3
265.08591	8.9
266.09299	1.9
267.06598	1.5
271.05826	1.8
273.05435	5.7
274.06247	2.1
276.07666	2.2
277.08585	20.9
277.69833	1.3
278.05734	3.7
278.09012	1.2
279.06519	3.0
279.09863	1.7
287.06934	2.3
288.07333	1.3
289.04834	3.1
290.05707	30.0
291.06412	2.6
291.10010	1.5
292.07309	4.4
293.08139	7.0
294.08780	3.8
295.09537	3.0
304.07083	1.5
305.08026	47.7
306.08536	2.4
307.06061	2.3
307.09549	9.8
309.11179	3.2
319.09549	4.0
322.08258	4.1
323.09210	1.3
325.10669	36.1
337.10654	100.0
338.10916	2.8
355.11804	7.7
367.11673	3.8
385.12051	1.9
547.21442	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	547.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.7
55.05503	3.7
57.03414	4.5
59.11911	3.8
65.03909	4.0
67.05497	3.7
67.21185	3.9
69.03407	12.0
69.07052	6.2
69.52248	36.0
70.06586	5.4
72.08121	5.2
79.05461	4.9
80.63710	3.7
81.03395	7.7
81.07038	9.2
83.04964	7.8
84.08185	4.6
85.02880	25.2
91.05457	10.7
93.07030	4.2
95.04919	13.1
97.02874	18.6
97.06511	10.1
98.20708	7.2
103.05427	4.0
105.03356	4.8
105.07024	8.0
107.04929	8.5
107.08557	4.0
108.75194	4.2
109.02853	10.6
119.04907	5.5
119.08546	8.0
121.02827	8.7
123.04412	10.9
123.08078	5.9
125.02335	3.9
127.03914	9.9
128.04356	4.4
135.04411	5.0
137.02251	4.9
137.05956	74.4
145.06454	3.9
147.04379	15.5
149.05965	7.3
151.07536	6.7
153.05428	4.5
161.04631	4.2
161.05951	15.3
163.03896	7.8
165.01807	14.8
167.07028	10.4
173.05927	7.7
177.01823	9.8
177.05441	4.7
183.02908	13.5
186.03079	5.4
189.09096	6.5
191.03302	9.3
195.02875	46.1
201.05450	67.3
201.07150	7.7
205.06488	10.6
206.07259	9.9
213.05385	10.6
219.02798	17.8
222.06731	5.7
231.02725	7.1
231.06398	8.9
233.05925	10.6
234.06638	22.2
235.07640	8.0
245.05939	4.7
249.03720	6.0
250.06296	8.0
261.03882	12.4
262.06226	25.4
263.07043	6.3
265.08630	18.0
273.05450	8.5
277.08539	27.8
278.05920	6.3
283.05978	12.2
290.05655	34.6
292.07401	8.8
293.08081	14.6
294.08578	5.7
295.09641	11.3
297.05801	5.1
299.09042	29.9
305.07986	43.4
307.09665	14.1
320.06595	4.6
322.08182	6.5
323.09113	6.5
325.10669	52.0
337.10651	100.0
355.11740	27.7
366.10370	6.3
367.11227	21.5
385.12881	6.5
397.13022	5.7
409.12912	9.2
451.13599	8.0
529.16724	6.9
547.08356	12.8
547.16565	6.4
547.34509	75.5
564.96722	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.144
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
60.35799	0.3
67.05438	0.3
69.03364	0.4
70.87309	0.9
75.23975	0.4
79.05412	0.3
85.02837	0.5
85.07600	0.3
97.02833	0.5
109.02872	0.3
111.83994	0.3
115.05403	0.4
119.04892	0.4
121.02849	0.4
123.00732	0.4
132.05690	0.3
134.07294	0.3
137.02293	0.3
137.05814	0.4
151.00169	0.5
152.00963	1.2
153.01778	0.5
161.05937	1.3
165.01765	1.1
167.06981	0.9
168.05676	0.3
170.02081	0.6
172.06664	0.3
177.01753	0.5
177.05368	0.4
178.02585	0.3
183.02751	0.4
183.08009	0.7
191.03326	0.6
195.02892	2.4
196.05206	0.4
197.05882	0.6
200.08203	0.4
201.05397	0.7
205.15840	0.3
210.06546	0.4
211.07530	0.8
213.05412	1.0
217.13255	0.3
219.02939	0.7
227.06903	0.5
231.02763	0.5
231.06445	0.8
238.06116	0.4
239.07004	2.5
241.04913	1.1
243.10191	1.4
252.03949	0.4
253.04961	0.7
255.06458	0.7
256.07263	3.3
261.03845	0.5
269.04428	0.8
281.07791	0.3
283.06070	0.4
284.06750	48.3
285.06995	0.7
298.04663	0.5
299.09103	100.0
300.09470	1.9
313.07129	1.0
335.09119	0.4
337.07083	0.5
349.10733	0.5
352.09332	0.7
355.11905	0.4
367.11691	7.7
367.16013	0.6
385.12308	0.4
397.13052	0.4
451.13776	0.7
463.13965	0.5
547.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
69.03426	0.6
70.06592	0.3
71.60138	0.3
71.60522	0.3
81.03391	0.5
81.07088	0.2
85.02903	0.7
95.04950	0.8
97.02883	100.0
98.03208	0.4
99.54649	0.2
105.03382	6.4
107.04948	0.3
113.05988	0.4
116.07100	0.2
123.04439	0.3
131.07047	1.2
137.05934	0.5
147.04443	0.5
148.05167	1.8
149.05988	0.3
175.03943	0.2
177.05493	0.6
191.14339	0.3
219.06535	4.3
237.07547	5.2
262.25119	0.2
267.06635	1.1
283.06046	0.7
284.06668	1.5
299.09113	12.6
312.64114	0.2
333.91281	0.2
383.11057	0.5
384.11514	1.4
384.52542	0.2
547.14471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01852	7.8
55.05252	2.2
55.05506	39.8
56.45108	2.1
57.03429	16.0
57.07076	4.9
65.03914	2.5
67.05495	80.8
69.03422	4.4
69.07053	22.2
69.49757	18.3
71.04977	5.8
71.08657	2.2
72.17233	2.0
79.05479	54.5
81.03402	30.2
81.07044	87.3
83.04955	10.3
83.08614	20.6
85.02919	3.4
85.06532	4.0
85.29335	2.2
91.05470	46.9
93.07036	52.6
95.04951	20.9
95.08592	50.9
95.09205	2.4
97.06531	6.8
97.10159	24.1
105.07014	45.8
107.04933	6.9
107.08582	35.7
109.06504	6.0
109.10143	27.7
111.08064	6.5
115.05496	2.4
117.06989	20.9
119.08564	36.4
121.06509	8.2
121.10141	23.8
123.08057	7.4
123.11684	11.7
125.09605	19.4
128.06165	3.2
129.06985	15.0
131.08539	30.9
133.10127	27.5
133.60741	2.0
135.08029	5.9
135.11700	13.3
137.09587	2.8
139.11186	2.4
141.06946	2.7
142.07739	2.3
143.08551	14.2
145.06509	3.0
145.10089	23.6
147.08063	5.3
147.11661	16.2
149.09592	5.9
149.13246	7.1
153.09135	2.2
155.08527	5.9
157.10098	13.8
159.11671	20.1
161.13231	13.3
163.14816	5.3
167.08527	2.4
169.10114	8.2
171.11624	10.0
173.09633	2.9
173.13197	11.7
175.11226	5.1
175.14812	8.4
181.10133	2.8
183.11594	4.7
185.13274	7.3
187.11140	3.5
187.14801	6.2
189.11182	11.1
189.12680	2.5
193.12175	14.4
195.11798	2.4
195.13808	2.5
195.86285	2.5
197.13319	6.9
199.14775	6.4
201.16457	3.2
201.53772	2.1
211.13246	5.0
223.14929	2.8
227.12602	11.8
259.20706	3.7
261.22113	12.4
267.15942	19.3
269.17453	2.7
285.22107	4.8
291.19662	2.3
299.23560	3.4
301.25146	19.1
303.23096	3.4
315.23056	2.4
317.24655	3.9
335.25873	13.7
354.56607	2.1
417.26163	3.1
417.31461	4.6
421.25980	4.4
425.34744	3.2
435.32501	11.8
453.33505	16.6
471.34628	16.8
509.36285	5.0
517.38818	3.5
527.37250	62.6
528.38007	2.8
545.38300	100.0
546.38550	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01861	7.0
55.05240	2.5
55.05501	36.5
57.03431	10.5
57.07058	3.2
59.04985	1.7
65.03918	4.5
67.05495	72.3
69.03427	4.1
69.07056	24.8
69.87599	5.9
69.88035	5.0
71.04976	5.5
79.05026	3.6
79.05477	52.3
81.03406	24.7
81.07046	68.0
83.04966	5.9
83.08608	24.0
85.02916	2.5
85.06526	4.0
90.35069	1.7
91.05467	45.0
93.07028	42.3
95.04964	22.3
95.08595	44.5
97.06522	4.9
97.10151	19.6
98.21358	2.2
99.08076	3.0
105.07014	33.8
107.04951	7.6
107.08571	31.1
109.06506	7.2
109.10148	28.2
111.08086	6.3
115.05447	2.6
117.07003	16.3
119.08562	32.1
121.06498	7.3
121.10136	18.7
123.08056	4.5
123.11647	9.5
125.09620	16.2
128.06195	2.2
129.07002	12.3
131.08548	28.2
133.06500	4.1
133.10118	20.5
135.08026	6.0
135.11676	13.2
137.09596	2.4
137.13234	1.9
139.11108	1.8
141.06935	2.2
142.07756	1.8
143.08528	7.7
145.06483	2.5
145.10081	17.7
147.08035	4.7
147.11646	14.2
149.09604	3.0
149.13249	4.9
151.11159	3.5
155.08539	5.1
157.10085	11.1
159.11647	15.5
161.09677	2.9
161.13268	6.7
163.11180	4.1
163.14861	2.3
169.10141	4.4
171.10313	2.6
171.11716	8.6
173.09564	3.4
173.13240	9.1
175.11215	5.0
175.14806	6.0
177.12784	2.4
183.11647	3.3
185.13255	3.6
187.11177	2.0
187.13347	2.0
187.14890	4.5
189.11240	10.4
189.16345	3.1
193.12213	16.8
195.11790	2.8
197.13298	2.5
199.14778	2.9
201.16475	2.6
211.13309	5.1
225.16339	2.4
227.12759	11.9
233.15437	3.5
242.06392	1.9
243.21097	2.5
247.16960	2.7
249.14861	3.4
261.22134	17.6
267.15912	20.1
273.18433	2.7
273.22031	2.0
280.62219	1.7
283.23935	2.3
285.22040	3.5
295.22900	2.7
299.23529	3.1
301.21866	2.0
301.25208	22.9
303.23248	2.9
317.24661	3.5
335.25769	19.0
336.94577	1.7
341.24683	2.8
343.22498	2.1
359.25940	2.8
421.25882	5.7
435.32373	10.6
453.33603	14.0
459.48706	1.7
471.34799	11.4
471.63058	1.7
509.36258	3.5
527.37225	56.5
528.37439	3.8
545.38287	100.0
546.38568	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	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
54.16763	1.4
55.01860	2.0
55.05502	34.0
57.03429	13.2
65.03923	4.1
67.05494	76.4
69.03407	4.4
69.07056	20.2
69.80550	1.5
69.96898	5.0
69.97315	4.5
71.04966	5.4
79.05481	69.8
81.03406	51.5
81.07044	66.1
82.12743	1.6
83.04970	12.8
83.08613	27.4
85.02898	22.5
85.06531	2.5
91.05466	60.0
93.06438	3.9
93.07029	69.7
95.04955	28.7
95.08588	38.3
97.02827	1.9
97.06516	8.4
97.10162	8.4
99.08071	2.6
105.07011	42.1
107.04935	5.9
107.08578	33.7
109.06490	6.7
109.10158	17.4
111.04424	2.1
111.08063	11.0
113.14037	1.5
115.05440	2.8
117.06995	12.0
119.08559	33.1
121.06517	3.8
121.10116	26.4
123.08056	3.5
123.11691	5.4
125.09634	4.6
129.06961	12.1
131.08548	25.0
133.06496	2.3
133.10109	20.4
135.11699	13.4
136.77303	1.6
137.09601	2.9
137.13239	2.0
142.07776	2.3
143.08516	4.6
145.10089	13.4
147.07993	3.1
147.11656	18.7
149.09587	6.1
149.13229	7.5
155.08424	2.2
157.10078	13.8
159.11659	8.6
161.13243	6.0
163.11209	2.0
163.14740	2.3
165.12747	4.5
171.11632	3.7
173.13249	4.4
175.11140	12.9
175.14786	3.0
185.13217	2.3
187.14746	3.8
189.11214	4.3
193.12219	50.5
201.16316	2.8
211.13249	47.5
211.15184	2.8
212.13705	1.7
227.12766	3.9
231.71480	1.8
243.20979	3.4
243.56467	1.6
261.22180	5.2
267.15942	6.1
301.22177	1.8
301.25311	6.4
317.24844	1.9
332.61865	1.7
335.25830	4.1
435.32468	4.6
453.33524	5.6
471.34494	3.8
527.37109	20.5
545.38269	100.0
546.38458	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45592	1.6
53.03932	7.3
53.95627	1.4
55.01855	5.4
55.05504	27.0
57.03436	10.1
57.07063	3.7
65.03925	3.8
67.05495	65.7
69.03406	2.7
69.07057	16.0
71.04981	6.5
76.25964	1.5
79.05481	62.1
81.03403	41.1
81.07046	63.9
83.04967	10.2
83.08601	24.6
85.02887	18.9
85.06546	2.3
91.05467	47.9
93.06434	3.1
93.07028	59.2
94.07406	1.7
95.04953	24.9
95.08595	36.6
97.02866	1.6
97.06526	6.8
97.10174	7.7
105.04471	2.6
105.07011	32.3
107.04955	4.3
107.08579	26.4
109.06513	6.5
109.10135	17.7
111.04453	3.1
111.08054	8.6
113.05982	3.4
115.05425	3.1
117.07005	9.9
119.08560	26.6
121.06503	2.5
121.10118	27.8
123.08070	3.6
123.11694	6.7
125.09618	4.9
129.06998	10.4
130.19019	1.5
131.08557	22.7
133.06491	3.5
133.10103	21.5
135.08046	1.5
135.11662	12.9
143.08566	4.3
144.09435	1.6
145.06354	1.7
145.10091	11.5
147.08040	2.4
147.11681	17.0
149.09610	5.8
149.13229	5.3
151.11227	2.2
155.08481	2.0
157.10129	12.5
159.11659	8.6
161.13239	7.6
163.14825	1.6
165.12735	3.4
169.10161	3.5
171.11673	4.8
173.09540	1.5
173.13264	6.3
175.11142	10.1
175.14824	2.8
183.11754	2.1
185.13266	2.9
187.14833	3.5
189.11267	3.9
193.12216	46.1
201.16423	1.9
205.16066	1.3
209.13245	2.3
211.13245	48.4
227.12755	3.7
244.62721	1.6
259.20663	1.8
261.22104	8.5
266.44296	1.6
267.15857	8.5
285.22235	2.0
301.25229	6.4
335.25827	5.4
343.04703	1.7
407.42496	1.9
435.32446	4.1
453.33585	6.1
471.34680	4.2
527.37170	22.0
545.38306	100.0
546.38440	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01861	4.3
55.05242	1.6
55.05504	27.3
57.03428	7.2
57.07057	2.9
59.04983	2.5
61.78665	1.6
65.72330	1.4
67.05495	52.7
69.03416	3.1
69.07061	15.2
69.97880	2.8
69.98285	5.9
70.35442	1.3
71.04965	4.2
72.88615	1.4
79.05482	33.7
81.03413	17.2
81.07043	56.2
83.04973	5.1
83.08608	15.9
85.06520	1.8
91.05463	28.5
93.07030	32.3
95.04950	18.0
95.08006	2.9
95.08589	36.6
97.06514	5.6
97.10155	17.0
99.08100	1.8
103.51174	1.5
105.04552	1.3
105.07017	27.8
107.04929	5.9
107.08576	21.4
109.06495	5.3
109.10144	22.6
111.08086	4.4
117.06985	12.0
119.08571	22.3
121.06523	8.4
121.10124	14.9
123.08063	5.8
123.09441	1.3
123.11702	9.4
125.09611	15.3
128.06210	1.8
129.07004	7.9
131.08543	21.1
133.06476	2.4
133.10121	15.2
135.08017	5.5
135.11679	11.6
137.09558	2.2
142.07745	2.1
143.08549	5.2
143.10606	1.7
145.10091	14.5
147.08005	3.1
147.11662	12.1
149.09612	4.0
149.13242	6.1
153.09177	1.7
155.08513	3.3
157.10078	6.6
159.08060	2.0
159.11649	13.4
161.09631	2.5
161.13222	7.3
163.11209	3.9
163.14815	4.2
165.12794	2.5
169.10115	3.5
171.10381	1.9
171.11620	7.4
173.11916	2.2
173.13266	9.2
175.11140	4.3
175.14806	4.8
181.10088	1.8
183.11708	3.3
185.13274	4.9
187.13329	1.7
187.14809	4.7
189.11209	10.4
189.16385	2.6
193.10535	1.5
193.12180	8.6
194.38365	1.3
195.10014	1.3
195.11699	2.3
197.13145	2.8
199.14775	3.9
201.16365	4.7
209.13130	1.9
211.13239	1.8
213.16446	2.0
225.16347	1.8
227.12743	15.6
243.20961	1.9
247.17027	3.5
257.18942	1.7
259.20700	2.5
261.22168	9.2
267.15839	19.3
279.23361	1.9
283.24252	2.1
285.22073	5.2
287.20139	2.0
301.21875	1.5
301.25195	22.5
303.23157	3.8
311.23785	2.0
315.23071	2.3
317.24683	1.8
331.22626	1.6
335.25879	18.5
357.28110	2.2
359.25833	3.5
403.24945	1.9
417.31342	2.2
421.25827	3.9
435.27478	3.3
435.32565	6.7
453.33734	13.0
471.34653	13.0
509.36459	3.6
527.37262	59.2
528.38068	4.0
545.38281	100.0
546.38599	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	545.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95412	0.7
69.03416	0.6
69.96253	4.2
70.06582	0.6
79.72016	0.6
82.21660	0.5
86.09687	0.9
96.37205	0.6
97.02879	2.0
98.21216	1.5
100.53229	0.7
107.92773	0.6
127.03933	0.6
293.60547	0.8
383.13260	1.0
399.12576	21.2
545.18347	100.0
546.18683	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
55.05496	8.6
57.03429	16.5
59.04995	4.3
63.81042	2.2
65.03942	4.5
67.05486	13.6
69.03417	83.3
69.07056	28.2
71.04983	7.6
73.06557	2.5
75.04446	2.5
79.05481	24.8
81.03391	13.2
81.07055	19.0
83.04968	60.4
84.61477	2.6
85.02889	40.3
85.06545	2.6
87.04457	22.3
91.05455	22.4
93.07030	26.6
95.04954	13.6
95.08588	8.0
97.02888	39.4
97.05950	4.1
97.06520	53.2
98.09167	2.7
99.04446	13.6
99.08061	2.4
101.06010	3.0
103.05513	2.3
105.07013	56.3
107.04946	14.0
107.08558	21.3
109.02869	3.5
109.06512	16.3
109.10108	3.9
109.75040	2.1
115.03912	16.6
115.05401	2.1
117.07012	12.2
119.04903	4.6
119.08570	15.6
120.30758	2.1
121.02901	2.2
121.06472	30.5
121.10149	4.7
123.08020	3.1
125.05972	100.0
127.03897	13.4
128.06227	3.7
129.06984	6.5
130.07762	5.6
131.08556	17.9
133.04924	8.5
133.06483	9.3
133.10138	13.4
135.08038	5.8
135.11674	6.3
137.05969	9.9
139.07582	2.8
142.07751	3.5
143.07014	75.0
143.08524	10.4
145.02826	4.5
145.06442	6.8
145.10100	87.5
147.04407	5.5
147.08067	3.6
147.11664	6.5
149.05931	3.1
151.03981	2.7
151.07521	18.7
153.07072	2.2
154.07770	2.4
155.08493	7.9
157.10063	5.0
158.07253	6.6
159.08018	17.2
159.11678	37.0
161.05980	2.5
161.09590	4.6
163.07513	5.1
163.11166	44.9
165.05505	3.0
169.10115	10.5
171.08084	3.8
171.11632	3.9
172.08727	3.3
173.09596	58.7
175.03970	3.2
175.07484	4.0
175.11134	2.6
177.05426	7.5
177.12733	13.9
179.08562	4.3
183.07982	3.4
187.11154	62.8
189.09113	3.3
189.12630	3.6
191.10608	29.7
197.09590	8.3
205.12202	54.8
209.11638	10.8
213.09052	3.1
215.10637	71.9
221.11755	7.0
225.09131	2.6
229.76846	2.7
233.11716	52.5
251.12811	21.0
255.33571	2.4
266.96628	2.2
283.13058	2.2
287.05426	3.7
293.07751	2.8
311.12796	3.5
365.10031	3.0
383.11139	8.4
395.16846	5.1
413.17960	9.2
481.21558	3.1
545.22479	5.2
545.32306	4.1
566.63580	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.7
53.03936	3.4
55.01865	3.6
55.02681	0.6
55.05505	14.1
55.17295	0.6
56.69725	0.6
57.03408	2.5
57.07045	2.1
65.03896	1.9
65.17959	0.6
67.05497	30.5
69.03397	1.8
69.07069	9.5
69.33272	7.1
70.51263	0.6
71.04957	2.6
73.02894	2.0
77.03922	0.9
79.05486	44.4
80.05809	0.7
81.03373	2.8
81.07047	38.6
83.04970	3.2
83.08607	8.5
85.06506	1.1
91.05466	22.3
93.07033	58.1
95.04396	0.9
95.04955	9.9
95.08592	44.8
97.02859	2.8
97.06520	4.2
97.10133	2.4
99.04427	3.4
103.05442	1.2
105.04512	1.0
105.06360	1.0
105.07025	16.3
107.04372	0.6
107.04954	8.4
107.08580	35.6
109.06463	1.9
109.10142	8.2
111.08070	1.4
113.09547	0.9
115.05386	0.8
117.07006	12.4
119.07748	1.2
119.08567	13.6
121.06496	4.9
121.09277	1.2
121.10126	19.8
123.08049	1.3
123.11668	1.7
125.05942	1.9
129.06982	0.8
130.07745	1.8
131.08574	5.5
133.10124	6.6
135.08067	1.4
135.11678	48.0
139.07510	1.1
143.08548	1.3
145.10109	25.6
147.11674	3.0
149.13225	2.8
153.12711	1.3
159.11703	3.9
161.13220	1.9
162.83144	0.7
163.11168	53.9
163.14819	1.4
173.09642	0.9
173.13211	1.9
175.14859	0.7
181.12206	14.3
187.14804	1.4
209.11703	2.2
219.48225	0.6
227.12755	100.0
228.13123	0.8
229.13376	0.7
238.77461	0.6
239.02144	0.6
242.12854	0.6
243.20975	1.3
261.22110	7.3
275.20087	0.6
299.23688	0.9
317.24689	3.1
355.38980	0.6
469.33426	0.8
525.36017	1.7
543.36749	56.9
544.37360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
53.52910	0.8
55.01860	4.4
55.05503	23.4
57.03424	5.3
57.07066	1.8
59.04984	1.1
60.06511	1.0
65.03919	2.5
67.05494	34.3
69.03413	2.0
69.07059	12.8
69.96454	3.2
69.96866	1.8
71.04967	2.8
71.08624	1.1
73.54767	0.9
79.05481	31.3
81.03400	5.6
81.07043	32.4
83.04966	4.5
83.08611	11.1
85.06522	1.9
87.04466	0.8
91.05464	24.6
92.05796	1.0
93.07027	24.5
93.07594	1.7
95.04951	9.1
95.08589	22.5
97.06525	5.5
97.10146	14.0
97.10729	1.2
99.08060	1.1
99.20428	0.7
103.05495	1.2
105.07012	23.3
107.04930	3.3
107.08574	18.0
109.06499	3.1
109.10139	11.0
111.08096	2.4
115.05454	1.9
117.07011	14.6
117.45520	0.8
117.73685	0.9
119.08558	17.9
121.06492	3.1
121.10114	8.1
123.08056	2.8
123.11722	2.9
125.09591	10.9
128.06174	4.0
129.06981	12.1
130.07779	1.2
131.08545	22.4
133.06462	2.2
133.10115	11.3
135.08020	4.9
135.11687	4.4
137.09512	1.9
139.11171	1.4
141.06946	5.0
142.07779	2.9
143.08531	14.9
145.06487	3.8
145.10097	19.1
147.08038	3.4
147.11674	8.5
149.09549	4.2
149.13257	3.0
153.09097	1.1
154.07780	1.0
155.08524	8.3
156.09384	1.5
157.06502	2.1
157.10094	11.6
159.08028	4.1
159.11656	14.9
161.09607	2.3
161.13268	3.5
163.11133	2.8
165.06975	1.2
167.08591	3.0
168.09319	1.1
169.10110	7.9
171.08041	2.7
171.11633	10.2
173.09642	3.2
173.11823	1.4
173.13229	5.8
175.11195	2.6
177.12704	1.2
179.08633	1.0
180.09174	1.0
181.10149	3.8
183.11653	6.8
185.09668	2.4
185.13245	7.9
187.11226	2.2
187.14832	3.6
189.11195	3.9
189.12772	1.6
193.12213	1.9
195.11690	4.3
197.13226	5.0
199.11153	1.4
199.14796	4.1
201.12689	2.4
203.14240	1.4
207.11717	1.8
209.13239	3.7
209.15079	0.9
211.14790	2.5
213.12708	2.1
213.16417	1.8
215.14371	1.9
219.11661	1.0
223.14874	2.5
225.16423	1.1
227.12662	5.1
237.16464	1.6
241.19618	1.3
247.16965	1.1
255.17329	0.9
257.19043	1.6
259.20535	1.8
261.18634	1.4
267.15878	2.4
269.18994	1.1
271.20703	1.4
273.18469	1.4
275.20059	2.9
281.22702	1.3
283.20486	2.0
287.16321	0.9
297.22141	2.3
299.23648	8.5
301.21622	2.1
311.20197	0.9
313.21661	1.1
321.22064	1.7
325.21530	1.2
327.23053	1.6
339.23090	1.4
343.22739	0.8
353.24854	1.4
357.24103	2.3
369.10611	1.1
415.29910	3.3
423.32404	2.7
431.27710	1.1
433.30887	9.3
451.31982	13.9
469.32971	9.5
483.13272	1.1
487.34033	2.1
507.34518	1.4
515.37006	1.5
525.35699	28.0
543.36725	100.0
544.36993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04633	0.9
60.59571	0.8
71.60054	1.1
98.97588	1.7
104.99865	0.9
110.16594	0.8
120.99632	0.8
121.36179	0.8
138.84802	0.9
145.00722	1.2
210.56412	0.9
226.92857	0.9
232.03407	3.8
313.68979	0.9
328.60623	0.9
363.06784	3.6
381.07935	16.4
543.13159	100.0
544.13965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3673
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03920	1.9
55.01866	3.4
55.05241	0.9
55.05503	17.0
57.03437	4.0
57.07051	1.9
59.04993	0.8
62.20903	0.7
65.03921	1.8
67.05498	26.8
69.03419	1.8
69.07055	9.6
69.93439	1.5
69.93847	2.7
70.01700	0.6
71.04971	1.7
71.08607	0.9
71.21739	0.7
79.05482	20.3
79.30074	0.7
81.03411	5.5
81.07039	21.9
83.04988	2.1
83.08614	9.0
85.06545	2.1
91.04923	1.3
91.05467	21.4
92.85576	0.7
93.06448	0.7
93.07033	16.7
95.04958	5.6
95.08592	13.7
97.06522	2.0
97.10153	9.1
105.07018	17.6
107.04949	2.6
107.08582	12.7
109.06517	2.7
109.10154	8.1
111.08064	2.1
115.05418	1.9
117.07007	11.4
119.08557	12.3
121.06499	2.8
121.10127	5.8
123.08047	1.5
123.11707	2.7
125.09608	6.6
128.06204	2.5
129.06975	10.7
131.08549	15.3
131.09465	1.2
133.06458	1.1
133.10112	9.2
135.08029	3.2
135.11691	3.4
137.09584	0.7
141.06979	3.5
142.07762	2.3
143.08539	9.3
145.06482	2.6
145.10112	14.8
147.08038	1.3
147.11700	5.6
149.09624	2.5
149.13283	1.6
151.11148	0.9
154.07661	0.8
155.08537	6.3
156.09322	1.1
157.10106	9.3
159.07999	3.7
159.11667	9.6
159.44676	0.7
161.09581	2.1
161.13248	2.6
163.11200	1.7
165.06918	0.9
166.07860	1.1
167.08560	2.1
167.49419	0.7
169.10097	5.7
171.08064	1.9
171.11655	7.6
173.09645	3.0
173.11810	1.4
173.13185	5.6
175.11131	1.1
175.14825	0.8
177.12842	0.8
179.08549	0.7
179.14310	0.8
181.10037	3.5
182.10959	1.0
183.11655	5.6
185.09641	1.8
185.13263	5.3
187.11195	2.8
187.13223	0.7
187.14854	2.1
189.09718	0.7
189.11226	3.0
189.12738	1.4
193.10196	1.4
193.12161	1.2
195.11713	4.1
195.13312	0.7
197.13237	4.8
199.11238	1.3
199.14838	3.7
201.12752	1.1
207.11667	1.7
209.13269	3.1
211.14861	2.1
213.12776	1.0
213.16380	1.4
215.14374	0.9
221.13277	1.4
223.14818	2.5
225.16330	1.3
227.12576	3.2
235.14735	0.8
237.16452	1.0
239.18028	0.7
241.15947	1.1
241.19397	0.9
249.16327	0.8
257.19049	0.8
259.20602	2.8
265.19101	0.7
267.15903	2.8
271.20514	1.2
275.20035	2.2
275.57034	0.7
283.17102	0.8
283.20538	1.9
297.18854	0.8
297.22174	2.2
299.20569	1.1
299.23688	6.1
301.21661	1.1
311.20114	0.9
313.21527	1.2
315.23083	1.2
321.22083	1.1
325.21640	0.8
327.23230	0.7
333.24213	1.1
337.25253	0.9
339.23315	1.9
355.26419	1.0
357.24246	1.2
365.24612	0.8
371.25827	0.9
405.31744	0.9
415.29987	2.0
423.32773	2.3
433.30969	7.2
451.31985	12.5
469.33322	6.2
487.34314	1.2
507.34927	1.9
515.37653	1.7
525.35779	20.9
526.36157	0.8
543.36761	100.0
544.37103	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	542.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02688	0.3
51.44127	0.2
55.37482	0.3
69.03421	1.0
71.65971	0.6
73.02919	0.3
74.13170	0.2
77.04366	0.2
79.05479	1.0
80.17522	0.3
81.03384	0.4
84.68486	0.3
85.02894	1.8
91.05450	1.5
93.07031	1.3
96.74644	0.3
97.02886	1.2
98.78788	0.3
98.97581	0.8
99.95805	0.3
103.05448	6.1
107.04947	1.9
116.98625	0.8
119.04925	1.5
120.08084	100.0
121.02901	0.4
121.06507	0.3
121.08422	0.7
127.03869	0.6
128.98566	0.3
131.04898	2.5
135.04401	0.7
136.06178	1.7
137.05878	1.4
145.04913	0.6
145.87788	0.2
147.04398	2.9
149.05963	2.3
151.07521	0.3
152.63687	0.3
158.99690	0.3
166.08611	49.2
167.07027	1.3
177.05594	0.5
179.07018	3.0
193.04314	0.3
219.01790	0.7
237.02815	1.0
274.06830	0.3
330.09647	0.5
348.09848	1.5
348.59708	0.3
372.10568	1.1
372.60504	0.3
428.03693	0.3
504.84433	0.3
523.16394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
57.03423	1.5
62.06068	2.6
63.10149	1.0
69.03429	2.5
69.45676	2.4
69.46078	8.6
70.06586	2.0
79.05474	2.8
81.03366	1.4
81.07030	2.5
85.02890	4.5
89.93317	1.0
91.05451	2.0
93.07007	1.0
93.69840	1.0
94.04187	2.9
97.02876	5.7
98.20693	1.1
103.05453	4.2
105.07002	4.4
107.04930	1.3
109.10056	1.1
111.82244	1.2
119.03363	1.4
119.04974	1.4
121.06477	4.6
122.03630	5.9
123.04420	1.1
127.03932	2.0
128.06171	1.3
128.70883	1.1
131.04897	6.7
133.06473	17.7
135.08015	4.0
137.05963	100.0
138.06332	1.3
141.31494	1.0
145.06500	3.9
147.08047	1.1
148.57973	1.1
149.05913	2.1
151.07520	4.6
157.06461	1.9
163.07530	27.4
167.06992	2.7
171.07999	1.6
175.07492	1.3
184.07234	1.2
187.07599	1.3
189.09077	3.8
197.65930	1.2
203.10526	5.5
209.05959	1.1
209.08028	2.0
210.08606	1.4
221.11615	1.4
234.61290	1.0
237.05582	2.0
239.07040	3.0
255.06526	1.8
263.10797	1.9
283.05939	2.0
293.15298	1.1
295.13190	15.0
321.15045	1.6
327.12210	1.9
327.15906	24.6
349.14511	2.2
367.15359	9.7
385.16550	2.6
395.14856	3.5
450.12784	1.2
542.21863	2.5
553.76117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.40122	2.0
55.05510	15.6
55.44154	2.1
57.03440	2.6
57.07061	8.9
57.81997	1.9
67.05499	31.2
69.07058	12.8
70.06579	2.6
71.08619	3.8
79.05489	29.9
81.03444	2.2
81.07051	29.9
83.04968	4.6
83.08607	6.4
88.07616	7.3
91.05470	25.3
93.07040	27.3
94.78352	2.1
95.04975	6.3
95.08599	25.3
97.06549	2.7
97.10150	4.1
102.09185	4.8
105.07021	18.9
107.08590	10.5
109.06493	2.0
109.10167	5.3
117.06996	11.3
119.08586	17.1
121.10156	5.8
125.09685	2.3
128.02312	1.8
128.06245	3.6
129.06979	15.1
131.08557	18.3
133.10143	6.6
135.11699	3.2
139.88858	2.0
141.07002	2.8
142.07732	2.4
143.08531	16.0
145.06502	2.6
145.10121	19.2
146.83125	2.2
147.11697	6.5
149.13237	3.6
152.61058	1.8
153.06918	2.3
155.08540	10.9
157.10121	13.0
159.11668	4.8
161.13277	3.3
167.08592	4.1
169.10091	15.7
171.11699	8.7
173.13304	3.2
181.10123	6.4
183.11711	8.0
185.13348	6.4
187.14793	2.3
195.11795	5.9
197.13306	7.6
199.14854	5.6
207.11751	2.1
207.13779	3.3
211.14867	5.5
213.16418	2.4
225.16386	3.3
227.17941	2.9
229.76683	2.3
237.16377	3.5
239.17924	4.5
256.26379	10.1
257.26761	4.0
281.17465	2.5
284.29468	2.5
311.29501	8.9
312.29837	5.5
312.98703	2.1
317.24713	2.8
384.30301	2.3
416.50739	2.0
431.32999	6.1
449.34271	16.8
467.35272	7.6
478.55399	2.0
485.36407	2.8
505.35397	2.5
523.37769	10.2
540.53503	11.5
541.38922	100.0
541.53271	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.8
53.03940	9.1
55.01855	3.2
55.05506	23.9
57.03420	3.9
57.07058	2.4
65.03934	6.1
67.05497	78.1
69.03426	2.5
69.07058	18.1
69.39098	6.7
69.39500	2.2
71.04981	2.8
73.06541	2.0
73.89262	0.8
77.03920	2.2
79.05485	100.0
81.03409	8.4
81.07047	64.1
83.04971	9.9
83.08611	9.1
85.06538	3.2
85.26726	0.9
91.05469	68.7
93.07033	86.7
95.04961	24.2
95.08594	46.5
97.06538	4.8
97.10153	3.6
101.08108	0.9
103.05447	1.6
105.04523	2.4
105.07019	45.4
107.04953	7.0
107.08578	34.1
109.06497	6.9
109.10145	9.8
111.08080	1.6
117.07014	13.1
119.08570	29.3
121.06489	2.6
121.10130	21.7
123.08013	4.4
123.11710	2.5
125.09621	1.5
127.07655	1.1
128.06245	2.9
129.07008	16.4
131.08551	13.2
133.06508	1.0
133.10106	16.5
135.08095	1.3
135.11670	10.2
141.06882	1.2
142.07811	1.3
143.08539	9.9
145.10112	15.5
147.08067	2.0
147.11664	33.3
149.13202	5.4
150.34938	0.9
155.08542	1.1
157.10115	3.0
159.11681	6.5
161.09630	3.2
161.13249	14.4
163.14798	1.5
165.09071	0.9
169.10130	2.3
171.11673	26.8
173.13251	2.3
175.14841	1.2
180.80385	1.1
183.11772	1.3
185.13231	2.2
187.14841	1.5
189.12691	8.1
195.11705	1.6
197.13319	1.6
199.14899	1.0
207.13795	26.1
225.14871	2.6
243.81351	0.9
261.22125	2.8
281.17419	2.4
338.40579	0.9
431.33209	1.4
449.34174	2.3
467.34982	2.2
523.37604	2.2
539.54370	1.1
541.38879	83.1
542.39185	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.1
51.19595	0.9
53.03942	10.1
55.01855	2.3
55.05504	29.2
57.03422	3.4
57.07060	2.3
65.03922	5.6
65.97502	1.1
67.05494	77.1
69.03412	2.7
69.07057	15.9
69.31374	6.4
69.31803	4.0
69.84389	1.0
71.04990	2.4
71.99073	1.0
73.06541	1.4
77.03928	2.9
79.05481	100.0
81.03400	7.5
81.07045	65.2
83.04964	11.7
83.08613	9.0
84.96268	1.1
85.06511	2.2
87.38249	1.0
89.68312	1.0
91.05468	73.0
93.07030	91.8
95.04954	27.7
95.08593	48.6
97.02887	1.6
97.06497	6.9
97.10145	5.1
98.20702	2.1
103.05423	2.4
105.04508	2.9
105.07017	44.1
106.07340	1.0
107.04935	7.0
107.08581	32.6
108.89813	1.3
109.06508	7.3
109.10148	12.8
111.08065	2.5
115.05391	1.2
117.06996	13.8
119.08562	30.2
121.06478	2.8
121.10125	23.4
123.08078	4.9
123.11666	2.6
127.07552	2.3
128.06201	3.3
129.06984	15.3
130.07843	1.3
131.08549	12.2
133.10101	15.0
135.11673	11.9
141.06973	1.7
143.08517	10.9
144.98190	1.1
145.10098	14.6
147.08066	1.9
147.11665	35.6
149.13280	4.3
155.08537	1.7
156.09331	2.0
157.10095	2.9
159.11646	5.9
161.09599	3.6
161.13217	12.6
169.10106	2.9
171.11664	27.4
173.13260	4.8
175.14812	1.7
181.10194	1.1
183.11711	1.8
185.13287	1.9
187.14848	2.0
189.12675	9.8
197.13289	1.1
207.13774	26.5
207.15689	1.8
213.16336	1.4
225.14818	3.0
240.11548	1.1
243.21059	1.7
261.22198	4.2
281.17429	1.6
317.24606	1.8
329.83755	1.1
404.38245	1.0
449.34039	2.3
467.35120	2.3
523.38037	2.1
541.38837	92.7
542.38947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.5
55.05499	11.5
57.03423	10.6
57.07061	7.1
60.04514	9.1
67.05496	48.4
68.43658	6.7
69.03418	14.9
69.07060	31.4
69.68183	6.1
71.62134	6.2
79.05486	23.5
81.03429	10.5
81.07048	85.3
83.04948	6.8
83.08605	15.5
84.08158	5.9
85.02889	33.8
85.06527	100.0
86.09694	6.6
91.05466	19.9
93.07034	44.7
95.04939	10.6
95.08594	65.3
97.02871	61.7
97.06515	14.3
97.10178	8.4
99.08065	11.3
101.63636	6.2
102.00394	5.9
103.05470	8.8
105.07014	22.7
106.04148	12.7
107.08572	36.9
109.02863	7.9
109.10120	58.5
110.07082	5.7
110.32868	5.2
111.04411	8.3
111.08071	20.5
115.03880	6.5
119.08598	17.9
121.06505	21.6
121.10131	28.5
123.11700	18.9
124.61271	6.2
127.03933	11.0
133.10078	17.3
133.65997	7.0
135.11674	26.9
137.05968	20.5
137.13268	10.9
147.04442	8.2
147.11703	10.7
149.05954	26.2
149.13251	18.4
150.06413	8.5
151.03900	41.7
151.07452	8.1
153.09103	7.0
153.12671	6.2
154.06107	10.9
157.98134	6.9
159.11745	9.3
161.13206	15.1
163.14790	14.0
171.13692	11.9
175.14833	14.8
177.05441	24.1
177.16307	9.2
179.07050	32.8
181.08545	15.5
189.16386	11.3
191.18033	13.4
193.15781	7.4
209.08052	47.9
210.08437	23.5
214.88501	6.1
229.17920	39.9
273.11453	6.9
277.25250	12.7
289.25287	17.3
295.26294	18.6
307.26349	50.4
313.27310	16.6
316.11264	8.9
325.27356	30.7
343.28467	41.6
379.11935	14.7
458.52756	7.3
541.16895	20.4
542.21844	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	541.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01872	4.9
55.05514	13.5
57.07061	10.4
60.04506	7.2
67.05493	42.5
69.03413	15.0
69.07069	25.4
69.57982	32.9
70.06567	8.4
71.04987	9.0
73.02882	5.9
79.05480	19.2
79.21536	5.8
81.03420	12.0
81.07044	79.6
83.04986	13.1
83.08591	10.7
84.08148	7.0
85.02891	21.9
85.06531	100.0
86.09657	5.6
91.05469	20.6
93.07016	49.6
95.04961	9.9
95.08587	62.0
97.02886	46.0
97.06510	9.6
98.20773	12.1
99.08078	9.8
105.07007	29.1
106.04151	12.3
107.08591	31.1
109.06507	7.4
109.10119	50.6
111.08077	18.1
111.11707	7.3
113.09609	5.2
119.04882	5.2
119.08587	18.1
121.06474	16.0
121.10106	26.2
123.11691	21.2
133.10066	12.9
135.11647	25.1
136.07584	10.8
137.05960	27.9
137.13211	10.5
139.11159	7.5
145.10045	12.1
147.04384	7.3
147.11685	16.8
148.23929	5.0
149.05952	35.7
149.13237	14.3
150.06360	8.9
151.03874	43.1
154.06104	9.1
159.11746	6.0
161.05992	9.9
161.13300	9.6
163.07507	5.7
163.14833	13.1
164.06944	8.1
171.13728	9.7
175.14746	8.6
177.05473	15.4
179.07048	34.7
181.08681	11.9
182.08865	5.1
189.16359	10.5
191.06963	6.3
191.17909	10.3
193.15834	7.5
209.08032	37.2
210.08405	34.8
211.16942	11.3
229.17952	34.5
233.10165	10.6
273.11298	7.9
277.25241	10.0
289.25241	21.1
295.26181	18.6
307.26254	47.1
313.27274	14.4
325.27292	22.7
343.28339	46.0
379.11734	8.5
541.16327	12.7
542.21802	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	541.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
54.99535	1.0
55.01848	3.6
55.05506	23.6
57.03425	3.4
57.07082	1.1
59.04988	1.3
63.24655	0.9
67.05499	31.3
69.03403	2.3
69.07063	9.4
71.04975	2.5
71.65884	1.5
76.43870	1.1
79.05020	1.6
79.05480	25.5
81.03419	7.0
81.07046	26.3
83.04965	3.0
83.08607	11.4
86.09688	1.7
91.05474	22.0
93.07034	19.1
95.04955	14.7
95.08591	10.8
97.06501	2.3
97.10149	12.3
99.08085	1.3
105.07024	18.3
107.04941	3.3
107.08580	14.8
109.06494	2.8
109.10152	10.2
111.08114	1.4
115.05422	2.2
117.06997	13.0
119.08562	11.1
121.06494	3.0
121.10135	5.4
123.08051	2.3
123.11703	1.9
125.09644	10.0
128.06213	4.4
129.06987	13.1
131.08543	15.7
133.06464	1.6
133.10120	8.4
135.08037	4.9
135.11682	3.2
141.06946	6.1
142.07742	3.7
143.08537	13.8
145.06483	3.0
145.10095	11.0
146.96671	1.0
146.98143	2.2
147.08012	2.6
147.11691	4.4
149.09610	2.9
149.13240	1.5
153.06993	1.7
153.12665	1.2
154.07690	1.6
155.08571	7.5
155.32149	1.2
157.06464	1.5
157.10089	12.9
158.07190	1.1
159.08040	3.3
159.11731	5.3
161.09666	2.5
161.13271	1.1
163.11174	2.6
165.06978	1.7
166.07787	1.7
167.08533	4.3
168.09302	1.9
169.10107	10.3
171.08073	2.5
171.10254	1.7
171.11638	7.9
173.09618	3.2
173.11865	1.8
173.13272	5.0
175.11157	1.7
177.12639	1.2
179.08514	1.7
181.10121	7.6
183.08066	1.6
183.11720	8.4
185.09619	2.8
185.13228	8.6
187.11145	1.8
189.11221	6.1
191.08408	1.3
191.46632	1.2
193.10155	2.5
195.11728	6.3
197.09573	1.7
197.13223	7.1
199.11162	3.1
199.14815	5.0
201.12767	1.5
205.10228	1.1
207.11627	2.1
209.13235	4.4
211.11250	2.7
211.14795	2.8
213.12646	1.5
213.16364	1.5
219.11562	1.7
221.13290	2.9
223.14801	2.9
225.12886	1.3
225.16415	1.2
226.58813	1.0
227.12695	7.2
235.14835	2.0
249.16249	1.2
257.18973	1.8
263.17960	1.5
273.18475	2.5
275.20029	1.3
295.20483	1.6
297.18774	1.7
297.22089	10.8
299.19955	2.5
315.23126	1.8
319.20435	1.7
325.21637	2.1
341.21194	1.4
355.22778	2.2
421.30966	2.9
431.29565	7.4
449.30383	13.5
467.31488	7.8
483.24863	2.6
485.32480	3.8
505.33130	1.3
513.35858	2.2
523.33984	11.3
541.35162	100.0
542.35162	4.6
565.84735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01864	0.4
56.49829	0.2
61.02930	0.3
69.03428	0.6
70.06581	0.4
70.85700	0.8
81.03400	0.7
85.02908	1.4
97.02877	61.8
98.03204	0.3
109.02856	0.8
113.28905	0.3
121.02852	8.1
127.03896	100.0
128.04248	0.4
133.02823	0.6
145.04875	0.3
151.03934	1.7
177.05382	0.4
204.12325	0.6
217.04930	4.4
235.05922	0.5
253.07083	0.8
274.57785	0.3
289.09158	2.8
304.36838	0.3
354.81598	0.3
366.17612	0.4
379.10660	0.3
422.71948	0.3
541.16754	0.6
542.21979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38820	1.0
52.95657	1.1
53.03936	4.1
55.01865	8.8
55.05504	25.2
57.03427	4.4
59.05004	1.1
65.03934	3.4
67.05495	36.9
69.03417	3.2
69.07059	20.2
69.33555	9.2
69.33961	2.3
69.54449	1.1
71.04987	3.3
79.05484	33.9
79.06439	1.0
81.03406	31.9
81.07045	32.2
81.22645	1.0
83.04969	6.0
83.08608	13.7
85.06539	3.0
91.05466	35.8
93.07032	21.7
95.01302	1.0
95.04959	16.5
95.08595	15.6
97.06509	8.4
97.10155	11.6
99.08100	1.3
103.05490	2.3
105.07021	28.2
105.07722	1.6
107.04945	10.5
107.08581	17.5
109.06491	5.4
109.10148	11.3
111.04471	1.3
111.08076	4.1
112.82153	0.9
115.05461	2.3
117.07004	14.6
119.08558	20.8
121.06483	5.5
121.10145	8.4
123.04420	1.5
123.08072	4.9
123.11666	1.9
125.09607	5.7
128.06227	3.9
129.06982	14.0
130.07852	1.4
131.04857	1.1
131.08556	18.1
133.06473	3.0
133.10120	15.6
135.08069	5.5
135.11690	4.2
137.05960	2.2
137.09604	2.6
141.06958	6.0
142.07773	3.9
143.08533	12.0
145.06439	6.0
145.10101	13.8
147.08031	5.8
147.11670	10.3
149.09627	8.6
149.13248	2.0
151.11162	1.5
153.06964	2.6
153.09091	1.7
154.07794	1.1
155.08521	7.0
156.09317	1.2
157.06520	2.3
157.10109	13.3
159.08031	4.5
159.11670	9.1
161.09604	2.7
161.13217	2.6
163.11177	5.1
165.06894	1.1
165.12735	1.3
167.08597	3.7
168.09328	1.8
169.06564	1.3
169.10104	9.9
171.08066	3.7
171.10320	1.5
171.11624	7.7
172.09015	1.0
173.09584	4.8
173.11874	1.3
173.13272	4.3
175.11189	4.0
175.14822	1.5
177.12787	1.7
179.08530	2.1
179.14340	2.6
181.06442	1.0
181.10155	3.1
183.08044	2.1
183.11688	6.5
185.05977	1.2
185.09647	2.6
185.13245	6.3
187.11208	3.2
187.14828	1.7
189.11191	4.6
189.12712	1.8
193.10428	2.1
193.12215	13.1
195.08066	1.4
195.11703	3.6
197.09560	2.7
197.13179	5.3
199.11229	3.7
199.14923	1.4
201.12785	1.6
207.11761	2.2
209.13257	3.7
211.11240	2.0
211.14796	2.3
213.12758	3.5
213.16356	2.2
219.17422	1.6
221.13338	1.6
225.09085	1.4
227.14430	1.3
229.19490	1.1
233.15331	1.5
235.14883	1.6
239.14360	1.7
239.17868	2.4
249.14726	1.7
255.02924	1.6
255.17432	1.4
257.19012	3.5
267.15909	1.2
269.08307	1.0
273.18604	1.9
275.20044	23.8
281.19025	1.2
287.05386	1.6
293.21146	1.6
295.20313	1.1
297.22104	4.2
299.20126	4.9
300.02676	1.2
301.18030	1.3
311.20139	1.4
313.21539	1.5
315.05011	6.4
315.23282	2.0
316.05566	1.7
323.20111	1.1
327.19562	1.5
337.21576	2.4
355.22751	2.4
367.22800	1.4
369.24265	1.3
403.24875	1.1
415.24692	1.2
415.96179	1.2
421.31409	1.3
429.26147	1.8
431.29404	5.4
449.30460	11.3
467.31497	8.3
485.32782	2.9
494.35934	1.1
505.33191	1.6
509.18124	3.3
513.35529	1.2
523.34229	9.5
541.21698	2.8
541.35229	100.0
542.35577	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	541.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80513	0.4
53.59744	0.4
55.01859	1.1
58.83760	0.4
62.24176	0.4
65.03922	3.3
67.05481	0.7
68.99780	1.3
69.03394	0.6
70.06579	1.6
70.48143	2.1
72.08131	1.2
81.03419	0.6
81.04510	0.5
81.07042	0.6
84.08125	0.6
85.02905	0.9
86.09692	0.8
91.05465	1.8
95.04951	2.1
97.02880	1.3
105.03376	0.7
107.04944	1.9
109.02877	0.7
111.04424	4.0
116.07056	0.4
119.04919	1.7
121.02843	85.0
122.03133	0.6
123.04413	3.6
129.10236	0.4
131.04897	0.9
133.02829	1.0
135.04367	0.7
137.02309	0.5
137.05949	1.6
145.02818	1.1
145.06535	0.7
147.04372	7.5
149.05875	0.5
151.03918	0.8
153.01822	0.6
155.04918	0.6
159.04324	0.6
161.05899	2.5
163.03860	2.1
165.01811	0.4
171.04379	0.7
173.06038	0.6
175.03889	1.4
177.05441	0.7
179.06996	0.8
183.04375	0.8
184.05280	1.0
185.05972	1.5
187.03894	1.6
189.05467	3.5
191.03326	2.1
197.05896	1.0
199.03819	0.5
200.04651	1.6
201.05426	2.0
203.03491	0.6
211.03929	0.9
213.05446	2.2
214.06236	0.7
215.03343	2.2
216.04144	1.2
217.04915	0.8
225.05421	0.5
227.03374	1.4
228.04115	0.5
229.04900	5.7
230.05722	1.4
231.06412	1.0
237.05553	0.8
239.03406	1.0
241.04919	1.7
243.02885	1.2
245.04433	0.9
247.07573	0.5
251.03311	0.6
253.04915	0.9
255.02791	2.2
255.06494	0.6
256.03705	1.3
257.04425	8.4
258.05151	2.0
263.13763	0.7
267.02911	0.6
267.06409	0.5
269.04462	2.9
270.05197	1.0
271.02316	3.2
271.07516	0.7
273.03763	0.7
274.04684	0.6
277.08560	0.6
281.04471	1.2
283.02240	0.6
285.03699	2.4
286.04688	5.4
287.05341	15.7
289.08557	0.6
291.06558	0.6
293.04391	0.8
297.03851	1.1
299.05524	0.6
300.07870	0.6
305.08115	1.3
307.09732	0.6
309.03891	1.2
313.03445	0.6
315.06436	2.0
316.07315	0.7
317.07791	0.9
319.06241	0.6
321.03946	0.6
321.07532	1.3
323.05466	1.1
325.03418	1.8
327.05219	0.5
328.60056	0.5
331.05911	0.6
333.07547	3.3
334.08066	0.6
335.09058	2.5
337.07074	0.9
343.05844	0.8
344.06689	0.9
345.07663	3.4
347.05414	1.8
349.07019	1.9
351.08600	1.5
357.07645	1.2
359.09119	0.9
361.06836	4.9
362.07620	1.0
363.08575	1.7
365.06525	0.9
366.07352	0.6
371.05276	0.9
372.06296	0.8
373.06934	3.2
374.07510	0.5
375.04593	0.6
375.08737	0.9
376.05646	0.9
377.06235	2.4
385.07034	2.0
387.08496	1.4
389.06482	8.2
390.07260	4.3
391.08063	18.1
393.06003	3.2
394.06766	2.6
395.11124	2.9
403.08142	2.8
405.05869	18.6
407.07520	12.2
408.08151	1.5
413.06424	2.6
414.06918	0.5
415.07886	2.6
417.05997	5.0
418.06573	0.6
419.07635	1.6
421.09320	1.2
422.09921	0.7
431.07669	4.5
433.09189	3.4
435.07016	2.7
437.08563	4.8
441.06000	3.3
443.07504	3.8
445.05481	0.8
449.08481	2.4
451.10159	66.2
452.10474	2.2
459.07031	16.8
460.07581	0.6
461.08463	3.6
463.06509	2.6
467.09695	0.9
469.05103	0.6
477.08008	9.8
479.09647	2.0
481.07596	4.0
485.10773	1.3
487.06546	12.3
495.08978	5.7
505.07568	20.4
523.08527	9.8
541.09656	100.0
542.10162	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	541.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
57.03434	0.4
57.88096	0.4
59.99376	0.4
65.03932	2.5
67.05485	0.6
68.99783	0.9
69.45187	3.0
69.45593	0.8
70.06581	1.0
72.08128	0.8
73.18222	0.3
76.81778	0.4
81.04541	0.4
84.08127	0.7
85.02876	0.7
85.56642	0.5
86.09714	0.8
91.05469	1.3
95.04948	1.2
97.02884	1.8
98.20545	0.6
105.03400	0.5
107.04948	1.4
111.04404	3.1
118.22417	0.4
119.04942	1.2
121.02855	71.9
123.04430	2.4
131.04955	0.7
137.02313	1.1
137.05992	1.1
143.04962	0.6
145.02824	1.1
145.06499	0.5
147.04385	5.8
149.05971	0.6
153.01825	0.8
161.05965	2.1
163.03896	1.9
165.01897	0.6
173.05930	0.5
175.03880	1.3
177.05498	0.8
179.06990	0.9
183.04404	0.8
184.05182	0.5
185.06013	1.5
187.03857	1.0
189.05437	2.9
191.03365	2.1
199.03917	0.7
200.04684	1.3
201.05450	1.4
203.03413	0.5
209.05869	0.5
211.03877	1.1
212.04825	0.5
213.05417	2.3
215.03375	1.8
216.04218	0.7
217.04956	0.9
219.02867	0.5
225.05290	0.4
227.03339	1.3
228.04172	0.9
229.04910	4.1
230.05650	1.2
231.06488	0.7
237.05441	0.6
239.03419	1.0
241.04840	2.3
243.02922	1.0
247.07597	0.9
253.04968	1.0
255.02827	2.1
256.03448	1.0
257.04416	7.0
258.05234	1.4
259.02417	0.4
263.06998	0.5
265.04855	0.8
269.04416	1.5
270.05200	0.7
271.02377	4.0
273.03925	1.0
274.04529	0.5
277.08578	0.6
279.03098	0.5
281.04468	1.0
283.06030	0.7
285.03976	1.9
286.04678	4.3
287.05402	13.6
289.08661	0.9
293.04453	1.0
293.07953	0.8
297.03799	1.0
303.06781	0.5
305.08054	1.0
309.03943	1.1
313.03589	0.7
315.06567	1.0
316.06958	0.5
317.07867	2.0
319.06021	0.8
321.07550	1.4
323.05603	0.9
325.03317	1.4
329.07123	0.6
333.07538	3.2
334.08289	0.7
335.08981	2.2
337.07074	1.0
338.03979	0.5
343.05917	0.8
344.06921	0.7
345.07608	2.8
347.05377	1.3
348.06448	0.7
349.07025	1.9
351.08521	1.3
357.07834	1.1
359.09280	0.9
361.07065	6.2
363.08505	1.3
365.02789	0.6
371.05273	1.1
373.07111	2.1
377.06329	2.9
377.10522	0.7
379.08316	0.6
385.07175	1.7
387.08575	1.6
389.06509	6.6
390.07285	3.8
391.08102	15.6
393.06021	2.6
394.06577	1.2
395.11484	2.2
403.08157	1.7
405.05927	16.4
407.07541	11.6
408.08020	1.1
409.08997	0.6
413.06305	2.4
415.08008	2.3
417.06015	5.3
418.06851	0.6
419.07663	1.8
421.09369	0.7
422.09872	0.7
423.10510	0.6
431.07709	3.9
433.09317	2.5
435.06989	2.7
437.08664	4.8
441.06046	1.8
442.06299	0.6
443.07404	3.4
449.08737	2.9
451.10205	56.3
452.10547	1.2
459.07056	16.3
460.07596	0.6
461.08423	2.5
463.06540	2.7
467.09415	0.9
477.08215	8.6
479.09671	2.0
481.07587	3.9
485.10666	1.0
487.06546	11.1
495.09119	4.0
505.07645	17.0
523.08704	8.5
541.09705	100.0
542.10193	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	540.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.03421	16.1
65.03991	2.9
69.03432	8.1
70.25781	10.5
71.04993	9.4
73.02913	9.8
75.04465	70.9
79.05502	3.9
81.03419	5.2
83.04957	13.4
84.08138	2.3
85.02892	39.0
87.04463	2.8
91.05460	15.7
95.04936	3.0
97.02901	8.5
98.21251	4.5
99.04472	5.6
101.06028	3.4
103.05402	2.8
107.04974	8.9
109.02883	4.5
111.04447	14.3
119.04932	40.9
121.06514	5.0
122.03637	2.9
127.03953	11.4
127.14010	2.2
129.05496	8.7
131.04930	12.9
135.04411	13.1
137.05952	94.9
138.06300	3.1
145.04971	14.2
145.06503	2.6
147.04382	100.0
147.06465	5.9
149.05992	10.2
151.02095	2.1
151.07562	6.8
156.45760	2.2
163.06099	6.6
163.07588	17.9
167.07030	22.4
175.07582	9.4
177.05505	10.3
179.07014	96.5
181.08603	5.1
187.07399	2.7
191.07028	8.8
197.08113	10.2
203.07056	9.9
209.08139	4.9
215.07059	3.7
220.46864	2.6
221.08113	5.2
233.08104	5.5
243.10379	2.6
259.09726	5.4
271.09634	3.8
277.10892	5.2
293.10324	3.6
295.11874	5.4
299.09201	6.2
307.11908	4.0
311.11279	7.0
325.13013	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	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.2
55.05507	26.1
57.03424	12.6
57.07069	25.9
67.05498	37.3
69.03407	3.3
69.07052	11.8
70.93532	9.0
71.04969	5.0
71.08620	15.9
73.07666	2.8
79.05482	42.5
81.03391	3.3
81.07043	48.9
83.04966	6.9
83.08617	17.9
85.02882	3.3
85.06544	3.2
85.10162	12.8
87.37842	2.6
91.05466	24.2
93.07030	38.4
95.04936	6.4
95.08593	47.4
97.06505	3.9
97.10152	7.8
99.04436	3.2
105.07008	18.1
107.04945	5.7
107.08578	22.4
109.10131	14.1
111.04411	2.9
111.08106	4.1
117.07006	14.9
119.08546	18.5
121.06483	3.8
121.10131	11.3
125.09605	6.2
128.06209	5.1
129.06966	11.3
131.08543	12.7
133.10112	8.5
135.11665	20.0
141.06963	6.8
143.08548	13.9
145.10103	20.7
147.11684	8.4
151.42322	3.2
155.08521	12.7
157.10136	9.9
159.11699	6.7
163.11177	30.6
167.08533	7.2
169.10089	12.3
171.11639	8.0
173.13321	4.7
181.10110	9.9
181.12158	7.5
183.11633	10.6
185.13200	6.9
195.11665	8.0
197.13257	8.8
199.14941	2.8
209.11613	4.4
209.13361	4.8
211.14847	5.4
221.13263	6.2
222.85150	2.9
227.12746	56.7
239.23749	4.9
283.15393	18.0
297.22614	3.1
313.27344	50.5
313.77649	2.7
315.23053	3.1
326.65024	3.6
349.88208	3.1
447.32684	15.3
465.33817	7.5
483.34708	3.3
521.38062	34.3
539.37415	100.0
540.37628	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.41798	1.2
55.01860	5.4
55.05506	22.0
57.03429	6.0
57.07067	14.0
65.61607	1.4
67.05496	33.0
69.03427	2.9
69.07054	15.2
69.39595	14.1
71.04965	4.0
71.08607	6.6
73.02893	2.4
79.05480	31.6
81.03410	3.5
81.07046	34.6
83.04957	7.4
83.08605	11.1
85.06516	3.8
85.10161	3.3
87.89643	1.3
91.05470	33.0
93.07030	26.3
95.04975	7.5
95.08593	23.6
97.06506	3.5
97.10154	8.5
105.07013	25.3
107.04941	4.0
107.08568	11.8
109.10153	11.0
111.04435	3.3
111.08038	2.0
115.05391	1.8
117.06982	13.3
119.08575	17.0
121.06479	2.5
121.10133	6.5
123.11657	2.3
125.09595	4.0
128.06177	2.5
129.07005	14.4
130.18030	1.3
131.08545	13.4
133.10127	10.6
135.08058	1.7
135.11674	5.7
141.06992	6.5
142.07774	4.0
143.08531	14.1
145.10127	16.7
147.08073	2.1
147.11705	9.2
153.06932	1.7
154.07736	3.2
155.08536	15.4
156.09326	2.0
157.10118	13.3
159.11679	8.5
161.09807	1.5
161.13211	3.5
163.11163	5.5
165.07021	1.8
166.07741	2.4
167.08586	9.4
168.09325	2.4
169.10109	19.7
171.11635	14.2
173.13274	5.6
175.14703	1.7
179.08580	4.0
181.10092	10.9
181.12204	2.9
182.10751	1.9
183.11665	13.5
185.13225	5.3
187.14795	2.7
191.10640	3.1
193.10100	4.1
194.10858	1.5
195.11678	11.3
197.13266	11.4
199.14801	6.2
205.10112	2.4
207.11804	2.7
207.13733	1.7
209.13339	7.6
211.14793	5.5
213.16415	3.0
221.13316	3.9
223.14806	4.4
225.16435	2.1
227.12689	7.3
233.13223	2.5
235.14856	2.8
237.16280	3.5
239.23694	2.8
247.14606	2.0
249.16393	1.9
254.09456	1.7
259.20551	5.0
261.16119	1.8
263.17871	2.7
283.15341	4.4
313.27277	6.5
315.23145	3.7
321.22208	2.7
335.23639	2.2
339.23132	3.1
341.24509	1.6
351.22870	1.7
414.61670	1.8
419.33002	2.6
429.31262	5.8
447.32626	18.6
465.33545	9.2
483.34613	5.8
485.33942	2.7
503.35223	2.3
521.36584	12.1
539.37286	100.0
540.38397	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	539.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	3.8
53.03930	5.0
55.01862	9.2
55.05505	13.2
57.03421	5.6
57.07070	9.2
60.52591	3.5
62.06073	10.6
67.05504	33.3
69.03419	16.7
69.07066	21.9
70.06567	12.4
71.04975	7.2
71.66017	4.8
72.08160	7.0
79.05484	26.7
81.03397	6.7
81.07045	69.1
82.06568	3.7
83.04980	5.9
83.08600	6.6
84.08108	4.9
85.02890	14.3
85.06535	100.0
91.05461	25.1
93.07030	36.8
95.04977	7.4
95.08601	52.6
97.02869	15.5
97.06514	8.5
99.04440	4.2
99.08089	9.0
103.05439	7.9
105.07041	36.3
107.08577	31.8
109.02859	4.9
109.06509	6.3
109.10161	33.1
110.07197	3.9
111.08064	5.8
113.09616	5.4
117.07024	5.5
119.08573	27.2
120.08057	4.5
121.06497	9.8
121.10139	25.5
123.04414	4.7
123.07928	4.3
123.11694	9.9
124.03944	5.1
125.09637	7.5
127.03917	6.3
127.11275	3.7
131.08524	11.4
133.10110	22.0
135.07968	5.4
135.11671	23.3
136.07553	5.6
137.02330	13.1
137.05948	21.9
137.09630	3.5
139.11145	7.9
143.10669	5.1
145.02884	8.7
145.10135	14.3
147.04370	10.6
147.11708	12.4
149.05952	12.5
149.13223	15.3
150.05475	10.9
151.07471	5.9
152.07063	4.1
153.01801	5.7
153.05437	5.1
155.10616	5.0
157.10117	5.6
159.11659	15.8
161.05986	8.1
161.13289	4.9
163.07634	5.2
163.14752	5.5
167.07011	7.1
173.13266	6.6
175.14844	6.3
177.05457	14.9
178.08676	5.6
179.07069	4.3
185.05927	5.1
187.07510	4.2
187.14792	10.8
189.16391	8.6
191.06938	4.7
193.15736	6.6
199.07405	3.8
199.14816	5.6
201.16348	5.8
209.08113	15.3
211.07445	5.9
211.16873	9.8
213.16385	7.0
219.17412	3.9
223.07433	3.5
230.16154	4.3
241.05040	4.9
253.08687	3.7
265.11914	7.3
269.22659	5.3
272.11081	3.9
275.23688	7.0
287.23648	14.0
293.24832	7.3
303.05008	33.3
305.24741	22.2
323.25729	13.2
329.13959	5.0
341.27042	7.1
359.27676	8.3
399.11710	6.4
403.14883	4.2
421.04913	4.2
434.15546	3.8
471.13773	6.5
503.16412	16.8
521.06873	13.9
539.18329	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	539.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	3.8
53.03930	5.0
55.01862	9.2
55.05505	13.2
57.03421	5.6
57.07070	9.2
60.52591	3.5
62.06073	10.6
67.05504	33.3
69.03419	16.7
69.07066	21.9
70.06567	12.4
71.04975	7.2
71.66017	4.8
72.08160	7.0
79.05484	26.7
81.03397	6.7
81.07045	69.1
82.06568	3.7
83.04980	5.9
83.08600	6.6
84.08108	4.9
85.02890	14.3
85.06535	100.0
91.05461	25.1
93.07030	36.8
95.04977	7.4
95.08601	52.6
97.02869	15.5
97.06514	8.5
99.04440	4.2
99.08089	9.0
103.05439	7.9
105.07041	36.3
107.08577	31.8
109.02859	4.9
109.06509	6.3
109.10161	33.1
110.07197	3.9
111.08064	5.8
113.09616	5.4
117.07024	5.5
119.08573	27.2
120.08057	4.5
121.06497	9.8
121.10139	25.5
123.04414	4.7
123.07928	4.3
123.11694	9.9
124.03944	5.1
125.09637	7.5
127.03917	6.3
127.11275	3.7
131.08524	11.4
133.10110	22.0
135.07968	5.4
135.11671	23.3
136.07553	5.6
137.02330	13.1
137.05948	21.9
137.09630	3.5
139.11145	7.9
143.10669	5.1
145.02884	8.7
145.10135	14.3
147.04370	10.6
147.11708	12.4
149.05952	12.5
149.13223	15.3
150.05475	10.9
151.07471	5.9
152.07063	4.1
153.01801	5.7
153.05437	5.1
155.10616	5.0
157.10117	5.6
159.11659	15.8
161.05986	8.1
161.13289	4.9
163.07634	5.2
163.14752	5.5
167.07011	7.1
173.13266	6.6
175.14844	6.3
177.05457	14.9
178.08676	5.6
179.07069	4.3
185.05927	5.1
187.07510	4.2
187.14792	10.8
189.16391	8.6
191.06938	4.7
193.15736	6.6
199.07405	3.8
199.14816	5.6
201.16348	5.8
209.08113	15.3
211.07445	5.9
211.16873	9.8
213.16385	7.0
219.17412	3.9
223.07433	3.5
230.16154	4.3
241.05040	4.9
253.08687	3.7
265.11914	7.3
269.22659	5.3
272.11081	3.9
275.23688	7.0
287.23648	14.0
293.24832	7.3
303.05008	33.3
305.24741	22.2
323.25729	13.2
329.13959	5.0
341.27042	7.1
359.27676	8.3
399.11710	6.4
403.14883	4.2
421.04913	4.2
434.15546	3.8
471.13773	6.5
503.16412	16.8
521.06873	13.9
539.18329	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	539.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01871	17.9
55.05500	18.7
57.03428	20.7
57.07068	81.8
61.02914	7.4
65.03915	2.4
67.05497	41.2
67.11274	2.0
69.03427	50.6
69.07065	23.4
69.70348	13.7
71.04972	7.7
71.08252	3.1
71.08625	57.2
73.02526	3.5
73.02909	57.4
75.04498	2.1
75.87447	2.3
79.05492	10.8
81.03412	35.8
81.07047	50.0
83.04982	10.6
83.08607	36.7
84.43910	2.2
85.02898	38.8
85.06567	2.3
85.10178	33.8
91.05473	8.9
91.62034	1.9
93.07029	6.3
95.04949	2.4
95.08594	68.0
97.02875	19.8
97.10150	16.9
98.88718	1.9
99.04446	22.2
99.08063	2.7
99.11742	2.9
103.03912	2.5
105.07028	4.6
107.01515	1.9
107.08605	5.7
109.02864	65.6
109.10143	35.1
110.03661	14.4
111.03663	3.2
111.04430	64.9
111.11719	3.8
115.03882	2.2
119.08549	3.6
121.10120	3.6
123.11706	14.7
125.13235	6.8
127.03901	41.5
131.08551	4.1
132.99524	24.6
133.10135	3.9
135.01135	2.7
135.11731	2.7
137.13226	9.2
137.80992	1.9
143.08481	2.6
145.10136	4.8
151.00583	7.0
151.14822	3.6
154.99921	2.2
155.08493	2.3
157.10170	2.0
163.11226	4.2
169.01677	2.4
172.99043	8.4
175.83868	2.4
183.06395	2.1
183.11777	2.9
191.00075	34.6
191.10715	2.8
195.11761	2.0
209.01085	10.8
209.11656	7.2
221.22726	4.4
225.82178	2.5
227.12680	2.6
237.04065	1.9
239.23666	100.0
257.24738	12.1
262.03043	2.3
265.03720	5.5
283.15381	4.1
313.27332	57.5
313.31012	2.7
354.13583	2.3
355.28247	5.3
355.50519	2.0
447.32166	3.4
539.28680	61.1
539.38434	22.4
540.29388	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	539.0817
Annotation	Purpuromycin
Peak:m/z	Relative Intensity
55.01866	0.9
65.03928	0.8
68.99795	1.1
69.03421	0.4
70.06599	0.8
71.03130	1.2
71.67764	0.4
77.40915	0.4
79.05467	0.5
79.79681	0.5
81.03410	3.0
81.04524	0.6
84.08132	0.6
89.03876	0.6
91.05470	2.3
93.03408	0.5
95.04951	0.5
97.02874	1.0
103.40109	0.4
107.01373	0.4
109.02888	1.2
119.04905	1.4
121.02868	4.1
123.04417	1.2
127.03896	1.9
131.04907	0.8
135.04405	1.1
136.07573	0.5
137.02330	42.9
137.03435	3.2
138.02899	0.7
145.02847	3.2
147.04391	2.8
149.02316	1.1
153.01797	1.4
155.04906	0.6
157.06497	0.6
157.88853	0.4
159.04385	0.9
161.02322	1.3
161.05957	1.6
163.03859	4.1
165.01796	2.0
171.04375	1.0
173.02354	0.8
175.03935	1.0
176.04640	0.5
177.05368	0.8
181.06412	0.6
183.04474	0.8
185.06020	0.9
187.03857	2.1
189.01859	0.8
189.05498	1.0
191.03339	4.2
195.04599	0.5
197.06003	1.0
199.03960	0.9
200.04770	0.5
201.05423	0.6
203.03383	1.0
205.04962	1.0
207.02888	1.9
211.04004	1.0
213.05389	0.9
215.03391	5.8
216.04143	1.3
217.04959	1.2
219.02829	3.0
223.03972	0.5
225.05490	1.2
227.03430	1.4
228.04176	1.1
229.04866	2.5
231.02840	0.9
233.04611	0.5
235.03885	0.6
237.05469	1.2
239.03343	1.9
241.04938	1.0
243.02863	2.6
244.03697	0.5
245.04468	1.3
247.07648	1.1
251.03458	0.7
252.04144	0.5
253.04916	1.8
255.02884	2.3
256.03494	0.5
257.04181	2.1
259.02423	0.5
259.07684	0.7
261.03906	1.2
263.03369	0.4
263.06976	0.7
265.04898	1.2
267.02786	0.6
269.04352	1.5
271.02374	3.1
271.07632	0.7
273.03973	1.4
274.04715	0.7
275.07062	0.7
279.02896	1.4
279.06213	0.5
281.04443	2.2
283.02484	2.0
285.03888	1.0
291.02829	0.7
291.06668	0.6
293.04364	1.5
297.04019	0.8
299.06934	0.9
301.03232	2.1
302.04120	4.9
303.04810	10.2
307.02423	0.9
309.03931	1.8
315.01721	0.4
315.06143	0.9
317.08032	0.8
319.06015	0.8
321.03943	1.0
321.07370	0.9
323.37061	0.6
325.03574	0.6
327.06537	0.7
329.02890	0.6
331.06030	2.5
333.07617	0.5
335.05511	0.7
336.06415	0.5
337.03430	0.7
337.07043	1.0
339.05627	0.5
345.07571	1.5
347.05316	1.0
349.07120	1.6
353.02722	0.6
355.06036	0.9
357.07761	1.0
359.05576	1.5
360.06161	0.8
361.06992	1.2
363.05060	0.8
364.05743	0.5
365.06604	1.2
371.03964	0.9
373.07010	2.9
375.08563	1.3
377.06531	6.2
382.06949	1.1
383.04813	0.6
384.06192	0.7
385.06949	0.8
387.04709	2.6
391.07932	0.9
392.04950	0.5
393.05942	2.3
399.78061	0.5
401.06448	4.1
402.06821	0.5
403.08395	2.2
405.06027	9.8
406.06607	0.6
407.07632	1.6
409.05804	0.8
410.06238	5.7
411.05368	0.6
413.06418	1.1
419.07565	1.6
421.05484	16.5
422.05881	1.0
429.06110	5.4
430.06763	0.7
431.07675	1.9
433.05518	12.9
434.06067	0.6
441.06317	0.5
447.07184	3.8
447.12830	0.7
449.08804	1.5
451.10583	0.5
457.05466	3.3
458.06305	1.1
459.06924	2.3
461.04901	1.1
465.08038	4.4
467.09717	0.7
475.06570	6.9
476.06738	0.5
477.08179	1.8
479.06107	4.9
485.05231	0.9
493.07455	2.4
503.06052	6.5
521.07111	100.0
522.07294	4.4
539.08160	61.6
540.08368	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	537.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61908	7.7
55.01865	7.9
55.05503	24.1
55.54736	8.3
57.07067	36.5
58.02324	8.7
67.05499	60.3
69.07051	27.4
69.26450	100.0
71.08624	31.2
75.34735	7.4
79.05477	68.1
81.07042	53.4
83.04964	9.8
83.08603	11.7
91.05468	57.4
93.07032	59.9
95.04955	14.4
95.08594	32.4
98.20738	15.9
105.07024	39.9
107.08627	9.6
113.17043	7.5
117.07003	8.1
119.08547	13.7
129.07001	10.1
143.08397	7.7
147.11678	37.9
151.23451	8.4
161.13251	10.2
171.11671	24.3
189.12871	11.1
196.38374	9.7
207.13771	38.4
214.47879	8.8
240.90878	8.9
275.35703	8.7
281.17542	46.3
281.91318	15.8
282.27866	47.4
299.30655	11.2
305.51462	8.6
313.27362	55.5
519.40381	85.1
556.48303	9.9
561.11859	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	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15245	3.8
53.03939	11.7
54.52773	4.1
55.05507	22.5
56.24549	4.2
57.03419	15.2
57.07062	47.8
61.61155	3.8
65.03905	4.6
67.05499	74.7
69.07079	21.1
69.43398	41.5
71.08629	26.9
72.02465	4.2
79.05480	79.9
79.88642	5.3
81.03389	6.6
81.07039	62.4
83.04963	18.8
83.08602	16.3
85.10172	17.4
91.05463	64.0
93.07031	65.5
93.07600	6.9
95.04971	20.9
95.08599	51.3
96.42880	3.9
97.10146	10.0
105.07034	39.9
107.04967	5.2
107.08596	18.7
109.06499	6.0
109.10156	13.2
117.06951	9.0
119.08604	26.9
121.10146	5.0
123.08112	5.0
128.06288	5.0
129.06975	15.9
133.10095	8.1
143.08534	11.4
145.10130	8.2
146.57428	4.6
147.11679	46.4
161.13210	16.3
171.11678	29.6
189.12743	16.2
198.90712	4.2
207.13753	36.7
266.03415	4.4
281.17404	61.3
313.27313	89.0
404.31039	4.6
411.77487	4.9
488.08380	4.4
519.40350	100.0
523.66107	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25771	5.4
55.05495	26.1
57.03434	10.0
57.07072	32.0
67.05497	57.2
69.07066	21.2
69.25806	70.2
71.08621	27.0
79.05479	73.0
81.07040	48.7
83.04952	14.3
83.08611	18.8
85.10180	14.6
91.05473	52.3
93.07040	55.8
95.04942	15.0
95.08594	37.3
97.06538	10.8
97.10143	9.5
105.07011	31.5
107.08584	14.4
109.06479	6.8
109.10162	15.8
117.07021	13.8
119.08563	22.0
121.10093	6.6
123.08092	9.8
128.06372	7.6
129.07001	9.0
130.30424	6.1
130.99464	6.7
138.35661	6.0
145.10078	12.4
147.11676	41.0
161.13228	14.6
171.11674	23.5
207.13785	27.6
239.23576	6.3
245.52753	6.7
261.65088	6.6
281.17435	100.0
308.06839	5.6
313.27402	58.7
431.05811	7.0
486.45270	6.4
519.40405	82.5
537.24725	11.5
537.37219	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	537.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16938	1.9
53.00303	8.0
53.03942	4.5
55.01867	3.1
55.05508	30.7
57.03426	2.6
57.07069	46.9
59.05003	2.9
60.61019	2.0
65.03984	2.3
67.05502	31.3
69.03426	3.4
69.07054	17.3
71.08624	30.6
71.61855	3.6
73.71514	1.9
79.05474	14.3
81.03413	6.5
81.07043	42.7
82.70576	2.0
83.04975	4.3
83.08610	27.7
85.06514	3.1
85.10162	20.3
91.05463	27.4
93.07010	16.9
95.04988	6.6
95.08600	32.3
97.02873	4.9
97.06505	4.2
97.10167	10.2
99.00792	16.3
105.07008	23.3
107.04977	5.7
107.08575	11.8
109.02859	9.7
109.06518	2.6
109.10137	19.2
111.08053	4.3
115.03899	3.6
117.07008	5.0
119.08571	10.6
121.06489	5.6
121.10121	2.8
123.08057	3.1
123.11703	8.0
125.13258	3.4
133.06531	2.5
133.10121	35.8
135.08026	2.2
135.11674	3.1
137.05974	3.6
137.09544	2.6
137.13255	2.3
139.07504	3.5
143.08562	6.2
145.10156	3.0
151.11189	13.4
161.09621	16.6
171.08052	2.4
179.10667	14.3
189.09087	14.9
197.11777	4.6
207.10081	4.9
225.11172	18.2
239.23578	10.2
281.13953	3.6
331.87939	2.1
537.37817	100.0
537.68915	2.0
538.37598	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	537.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.6
62.38612	0.3
67.05443	1.1
67.05762	0.3
69.72015	2.2
75.37219	0.3
79.05450	0.6
81.07007	0.7
82.53377	0.3
91.05391	0.3
95.04926	0.4
98.39403	0.3
102.73155	0.3
103.97940	0.3
105.03329	0.4
105.06988	0.4
107.04945	0.4
107.08578	0.6
109.06458	1.1
109.10104	0.7
119.08521	0.6
128.42412	0.3
131.08475	0.4
137.05923	0.6
167.05629	0.6
167.06953	1.8
203.08527	0.3
221.05930	1.1
229.10281	0.3
229.14317	0.4
234.06728	0.4
244.98795	0.4
245.05881	0.3
247.07527	0.7
259.07565	0.9
260.08151	0.6
277.04944	4.2
277.89066	0.4
279.06485	6.1
285.08887	0.4
287.10580	0.5
290.97028	0.3
291.06491	8.2
291.19708	0.3
300.06229	0.6
313.08536	0.5
325.08542	0.7
329.08066	0.6
329.11621	0.4
337.08441	1.2
339.10089	1.4
342.12460	1.4
351.10156	1.9
353.07977	4.0
354.08725	2.0
355.09604	8.9
356.10419	1.6
357.11462	2.1
358.11884	1.5
359.12744	0.5
367.04980	0.6
367.09595	10.5
368.10294	2.6
369.11176	43.0
370.11902	6.4
371.12735	20.3
371.17542	0.7
372.13016	0.7
383.12720	37.4
384.12946	0.9
415.08112	0.6
445.56805	0.3
479.30179	0.3
507.14346	2.2
521.15588	0.5
537.19031	100.0
538.19476	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	537.139
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76196	0.6
68.99735	1.0
69.35745	4.5
69.36170	2.4
74.58270	0.7
79.05402	0.6
81.06985	0.9
85.02823	0.8
92.61089	0.7
107.04866	2.1
127.03781	0.7
135.04311	2.0
137.05862	2.4
145.02786	0.7
149.05830	1.0
151.03799	2.2
151.07454	1.2
163.03825	2.2
167.06931	2.1
177.05278	0.6
178.06219	3.7
188.90961	0.6
195.06413	0.8
199.03752	0.8
200.04643	0.8
201.94975	0.7
205.04779	1.0
213.05441	0.7
229.05023	0.6
254.05699	1.5
255.02780	1.2
268.03671	0.6
269.08002	2.1
270.05188	2.0
271.05637	0.9
281.04443	1.4
283.02322	1.6
283.05759	0.7
284.02994	1.7
297.03915	1.1
298.04575	3.7
299.05426	2.3
301.03299	1.3
301.06662	0.8
308.03033	0.9
309.03882	1.5
311.02072	0.7
311.05569	1.0
312.06064	1.3
316.05725	2.6
322.08182	0.8
324.06250	2.0
325.03244	0.8
325.06763	0.8
326.04111	2.0
334.08203	0.9
339.04956	2.7
345.07285	0.7
347.05426	1.6
348.05975	1.3
358.70319	0.7
362.07822	7.7
363.08240	2.1
369.09525	1.6
372.05908	1.1
373.06696	1.2
374.07669	2.0
375.04721	1.2
377.44534	0.7
386.03973	2.3
387.08707	1.3
389.06229	0.8
390.07227	7.0
400.05731	1.8
401.06430	3.2
405.09583	2.3
415.08252	2.1
418.06750	7.2
428.05005	1.2
430.06213	1.0
433.09161	12.1
435.14307	0.9
443.07370	1.9
444.07971	1.3
445.09003	2.6
446.06238	10.8
447.10806	1.5
458.10117	0.9
459.10703	1.4
461.08603	68.7
462.08887	1.7
463.10028	1.4
475.10181	2.6
476.04480	1.1
476.10999	16.0
477.11508	1.4
489.08154	2.6
491.13290	100.0
492.13660	2.9
493.14856	33.7
494.15335	1.1
519.12811	43.2
520.12738	1.1
537.13861	32.9
538.14471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
67.05505	1.0
68.99786	2.5
71.01332	0.6
71.60452	0.8
79.05492	1.6
81.03429	0.7
81.07021	0.9
85.02907	0.9
91.05444	2.9
93.07022	0.5
95.04955	1.4
95.40046	0.5
103.05452	2.2
105.07006	0.8
107.04948	3.7
107.48610	0.5
109.06509	0.7
116.69222	0.5
119.04908	2.4
121.06470	1.3
123.04411	2.6
123.07987	0.5
127.03884	0.6
131.04930	0.6
133.02840	0.6
133.06487	1.0
135.04387	1.1
135.08089	0.7
137.05969	1.7
139.00226	1.6
143.94498	0.5
145.02858	0.9
147.04433	2.7
149.02324	0.9
149.05989	1.7
151.03903	0.6
151.07523	0.8
153.01817	1.5
153.05365	0.7
159.04401	0.7
160.05247	0.8
161.02364	0.9
161.05954	2.6
162.06723	0.8
163.03902	3.8
164.04660	0.9
165.01872	0.5
165.09116	0.6
167.07056	1.1
169.01289	0.5
173.05930	0.8
175.03929	1.4
177.05435	3.8
178.06242	5.8
179.06931	0.9
183.35336	0.7
185.05945	0.5
187.03909	0.7
191.03389	2.0
191.07024	2.0
193.04994	1.7
193.08652	1.4
194.09332	0.7
195.06387	0.6
199.03938	0.8
205.04933	1.6
206.05736	0.8
213.05522	1.3
215.03406	0.5
217.04930	0.7
223.79115	0.6
229.04965	1.1
231.02805	1.4
246.05264	1.6
255.02974	0.7
257.04492	1.1
258.05197	0.8
259.02332	1.0
269.04453	1.5
270.05167	0.9
271.02353	0.8
273.07574	0.8
274.04767	3.1
284.06888	0.6
285.03918	2.1
285.07269	1.2
286.04791	0.7
296.02875	0.6
297.03870	3.5
298.04837	1.1
299.01837	0.9
299.05179	1.2
300.06256	1.0
301.03403	3.8
301.07108	4.2
311.05371	1.0
312.06223	1.9
313.03409	6.3
313.06995	3.4
314.04169	2.6
315.05020	2.4
315.08472	0.9
316.05753	2.6
316.09052	1.2
325.03363	0.7
327.04861	0.6
327.08609	0.6
329.02835	2.2
329.06503	14.1
331.08118	10.1
339.08658	2.1
343.04446	1.2
343.08237	0.9
344.05322	0.9
344.08844	4.0
354.10965	2.7
359.07666	2.5
361.07388	0.6
403.08389	0.7
444.08536	1.4
459.11520	0.7
471.06903	0.5
473.08197	0.6
477.12076	0.8
487.10291	1.5
489.08264	3.4
505.11246	12.9
506.11591	0.7
507.08966	0.9
519.12848	3.7
537.13861	100.0
538.14484	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	537.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20711	0.4
61.90187	0.5
64.21835	0.4
65.76212	0.4
67.24078	0.5
67.79414	0.4
68.99784	0.4
72.35886	0.4
79.01845	0.9
79.05463	0.7
81.03403	0.4
84.08074	0.5
85.06429	0.5
89.03869	0.6
95.04923	0.6
95.08609	0.4
103.05409	0.4
105.03365	1.0
107.01299	1.0
107.04937	1.8
121.02856	0.5
121.06524	0.5
122.03653	0.6
133.02831	1.4
135.04396	3.9
137.05936	2.8
149.02266	0.5
149.05995	1.3
150.06741	2.9
151.03856	0.8
161.02321	1.0
162.03162	0.6
163.00223	2.2
163.03899	3.6
164.04697	1.4
175.03882	0.6
176.04698	1.5
177.05530	0.8
178.06216	6.8
179.03458	0.4
181.01270	2.2
187.03841	0.6
191.07027	1.3
197.05986	0.5
201.05441	0.4
205.04964	1.0
213.05444	1.3
225.05415	0.5
227.03349	0.6
227.07019	0.6
229.04910	0.5
231.06560	0.6
239.03494	0.8
241.04872	1.0
242.05823	0.5
253.04965	0.9
254.05635	0.4
255.02917	1.5
255.06430	0.5
257.04434	1.6
257.08163	0.5
267.02982	0.7
267.06110	0.5
269.04276	1.0
270.05093	1.3
271.05954	0.9
281.04501	1.3
282.05212	0.6
283.02310	1.3
283.05829	0.9
284.03290	0.6
284.06787	2.0
285.03891	1.7
285.07474	1.1
286.04681	0.6
287.05460	1.2
296.06802	1.2
297.04099	1.1
297.07220	0.6
298.04642	2.1
299.05670	1.4
300.09717	0.6
301.06927	0.8
311.05481	0.7
312.06265	1.1
313.03403	2.0
313.07086	1.5
314.04218	1.2
314.07867	0.6
315.04935	4.6
315.08401	1.0
325.03522	2.0
327.05148	1.1
327.08740	0.8
329.06775	0.7
330.06998	2.0
341.06454	6.8
343.08160	1.6
344.08954	1.7
345.09689	3.8
355.08084	1.9
364.09464	1.0
373.06760	0.5
389.10690	0.9
390.07416	2.7
390.77603	0.5
401.06458	0.7
403.08487	0.6
414.03769	0.5
418.06638	1.0
429.05930	1.0
431.03470	0.6
433.08759	0.7
435.10583	0.9
445.08865	0.7
446.06207	0.7
447.11026	2.1
459.03348	1.1
461.08124	2.1
463.10168	13.4
471.07028	1.2
473.08566	0.9
474.05450	0.6
477.11850	1.4
478.12650	1.5
486.09485	0.9
489.08078	17.7
490.08508	1.0
491.13113	1.0
493.14880	22.9
494.15302	0.6
503.09845	0.7
504.10434	3.0
507.08926	1.5
519.12866	12.1
522.11542	1.2
537.13837	100.0
538.14056	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	537.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44126	0.5
69.03425	0.8
70.06573	1.7
71.30785	0.6
71.41653	0.6
77.97478	0.6
79.05478	1.2
80.00731	0.6
81.03424	0.8
81.07040	1.0
85.02848	0.8
85.83238	0.5
88.05533	0.6
91.05444	0.9
93.06992	0.8
97.02890	1.2
97.06538	1.0
98.21494	1.0
105.07001	0.8
107.04930	2.1
107.09156	0.6
115.05431	0.7
117.03313	0.7
121.06464	1.0
128.06187	0.7
131.04874	1.0
133.06494	0.9
137.05943	1.1
139.07526	1.1
147.04379	1.5
149.05986	2.0
151.07539	1.4
153.05414	1.1
163.03893	2.4
165.05431	0.8
167.06963	3.3
177.05463	2.7
178.06247	2.5
179.03410	0.9
179.07048	2.8
189.01907	0.9
191.06992	1.6
193.04916	0.9
194.09410	1.9
195.06514	4.0
205.04909	7.4
219.06487	0.9
221.08093	1.1
253.05000	0.7
255.02846	0.7
256.03131	0.7
264.04138	0.7
265.04898	1.5
269.04422	1.2
279.06522	1.6
280.03708	1.3
281.04431	1.1
282.05026	0.7
294.59485	0.7
295.05899	1.7
297.04309	0.9
297.07568	2.6
298.04544	0.7
299.05713	1.3
313.07053	1.1
325.03772	0.7
327.06662	0.7
345.07541	1.0
355.05829	1.0
359.05243	1.5
371.05316	1.3
372.06168	0.9
373.06958	0.8
383.05573	1.4
387.08655	1.4
399.04651	1.4
400.05826	2.4
401.06549	1.9
413.06229	0.9
415.08127	3.5
418.06686	0.7
427.03943	1.3
428.05093	1.6
429.05469	1.4
433.09460	1.7
443.07639	5.6
445.09006	2.6
446.06335	1.6
456.04614	1.3
457.04807	3.3
458.10464	1.4
459.11050	1.3
461.08475	8.9
471.07062	26.0
472.07266	0.9
473.08710	4.1
475.10236	1.9
476.10989	2.8
485.09009	1.3
486.09149	2.1
487.10059	2.2
489.08118	17.1
491.13586	5.6
493.15405	3.2
501.11758	5.0
503.09760	1.8
504.10345	2.0
519.12836	65.1
520.13361	2.1
537.13849	100.0
538.14130	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89366	0.6
64.53679	0.5
70.03968	1.6
70.04375	1.3
79.05493	0.7
81.03415	1.0
81.07050	1.1
89.03893	0.6
91.05445	0.6
93.07040	0.9
95.08598	0.7
105.06992	1.2
107.01309	1.3
107.04918	1.3
117.03384	0.8
121.02790	0.7
121.06465	0.6
123.04426	0.7
133.02826	1.1
134.03618	0.9
135.00812	0.8
135.04399	3.9
135.11653	0.5
137.05937	3.2
147.04462	0.8
149.05988	1.8
150.06757	3.9
161.02319	1.0
163.00261	1.8
163.03847	3.9
164.04745	1.2
167.07014	1.5
175.03841	0.9
176.04710	1.6
177.05453	1.7
178.06221	6.3
181.01263	2.7
187.03905	0.6
191.06981	1.4
191.51424	0.6
213.05525	0.9
229.05022	1.0
237.05453	0.5
239.03441	1.0
241.04918	1.3
242.05788	0.5
255.02850	1.2
255.06705	0.8
257.04489	1.7
269.04568	1.1
271.05945	0.8
281.04553	0.7
283.02869	0.6
283.06180	0.6
284.03833	0.7
284.06674	2.7
285.03915	1.7
285.07401	1.0
287.05670	1.4
296.06750	0.9
297.03986	2.0
298.04688	1.6
299.05560	1.8
300.06253	0.7
311.05505	0.9
312.06158	0.8
313.03470	1.9
313.06760	1.0
314.04272	1.4
315.05035	4.1
315.08350	0.9
325.03409	2.4
327.04974	0.9
327.08606	0.7
330.07303	2.0
334.08035	0.5
341.06485	8.7
343.08063	1.1
344.08939	1.6
345.09866	3.0
355.08057	1.7
362.07877	0.9
364.09201	0.7
373.06876	0.8
390.07297	3.3
429.05881	0.9
431.08298	0.6
433.09061	0.9
443.07312	0.7
447.10693	2.2
448.07819	0.6
457.06201	0.7
461.08823	2.3
463.10199	14.9
471.07104	1.2
473.08942	1.0
474.05667	0.9
476.10837	0.7
477.11404	0.8
478.12296	2.8
487.10452	0.8
489.01050	1.1
489.08054	18.8
493.14865	24.3
504.10306	3.2
505.11679	0.6
507.09229	1.7
519.12775	9.9
520.06012	0.8
520.13306	0.8
522.11823	1.3
536.35651	0.6
537.13916	100.0
538.14240	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	537.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01848	0.5
59.11124	0.3
65.03896	0.7
68.99761	1.6
69.03401	0.5
70.06586	0.9
71.58089	0.8
72.08118	0.4
81.03379	1.0
85.02891	0.5
89.03825	0.4
93.03391	0.5
95.04935	0.6
97.02870	0.6
105.03384	0.5
105.07021	0.5
107.04926	0.5
109.02843	1.1
111.00774	1.0
115.05378	0.5
121.02841	1.9
123.04426	2.5
123.05241	0.5
126.16722	0.3
127.03899	0.7
127.81978	0.4
131.04832	0.5
133.02788	1.5
135.04387	0.7
137.02315	10.3
137.03354	1.0
137.05940	0.9
140.80531	0.3
145.02879	0.6
147.04344	0.7
149.02263	0.9
151.03906	0.9
153.00661	0.6
153.01801	5.8
161.02287	0.9
161.05927	0.7
163.03893	11.4
164.04227	0.4
165.01804	3.5
166.02611	0.4
173.05930	0.8
175.03838	0.5
177.05460	1.0
179.03339	2.5
183.02859	1.4
183.04350	0.8
187.03860	0.9
189.01900	0.4
191.03372	11.3
193.04927	0.4
195.02724	0.5
199.03960	0.4
201.05453	2.6
203.03366	2.3
205.04900	0.5
207.02869	25.3
211.03839	0.5
213.05450	0.6
219.06479	0.7
223.02258	0.8
227.03365	0.9
228.04326	0.6
229.04916	6.2
231.02872	1.8
235.02342	11.5
243.02936	0.7
247.05983	1.2
255.02797	0.5
257.04376	3.3
267.02777	0.5
274.04721	1.1
275.05264	0.5
281.04565	0.6
281.08096	0.4
285.03864	1.6
291.06299	0.4
299.06299	0.5
302.04248	0.8
303.04953	100.0
304.05136	2.2
309.04004	0.4
313.03430	0.5
315.05023	1.0
323.01630	0.5
326.04181	0.7
331.04852	0.6
337.03201	1.0
337.07001	1.2
339.04971	0.4
341.02823	1.0
349.07043	0.4
354.03601	1.3
365.06516	2.0
367.04456	2.0
393.05994	8.4
395.07520	0.5
405.05804	1.8
407.07291	0.5
417.06082	0.5
421.05664	1.1
435.07196	0.5
445.05621	1.0
449.05020	2.4
463.06516	2.1
473.04684	0.8
475.06628	0.9
491.06042	33.0
492.06210	1.0
493.07693	2.3
518.99536	0.3
519.05518	10.8
537.06549	28.3
538.07141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27739	0.2
55.05516	0.4
56.05030	0.4
58.06596	0.5
59.78931	0.2
60.08158	5.3
67.05507	1.1
69.07065	0.3
69.47970	2.0
71.07365	2.5
79.05505	0.5
80.64941	0.2
81.07047	0.7
83.04955	0.2
86.09695	29.2
93.07037	0.5
95.08565	0.5
95.52654	0.2
97.10158	0.2
98.98447	2.7
104.10715	2.4
107.08582	0.3
118.53719	0.2
124.99988	20.5
131.34612	0.3
139.48477	0.2
150.04941	0.2
154.87709	0.2
162.56697	0.2
167.05548	0.4
184.07321	100.0
185.07759	0.5
192.52051	0.2
228.98872	0.3
284.50461	0.2
299.06015	0.6
453.95953	0.2
500.31067	0.9
518.32428	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	536.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01865	5.3
55.05500	5.8
57.03432	6.0
59.38872	3.7
67.05483	9.9
69.03409	7.9
69.07054	22.8
70.06583	100.0
70.23213	3.1
71.58503	6.8
73.06541	3.1
79.05485	17.9
81.03419	7.7
81.07040	15.2
83.04973	56.7
84.08114	4.8
85.02896	5.8
85.06534	3.9
91.05486	14.5
93.07035	21.0
95.04968	12.8
95.08604	7.8
97.02883	17.8
97.06531	47.6
99.04427	9.1
103.05449	4.4
105.07019	38.6
107.04947	7.0
107.08594	14.8
109.06505	13.7
111.08094	4.4
117.07005	11.6
119.04938	8.5
119.08572	7.4
120.08049	6.3
121.02879	5.1
121.06517	34.4
125.05977	64.0
127.03903	13.2
129.06946	4.7
130.07735	4.0
131.08549	16.4
131.60361	3.5
133.06500	6.1
135.08041	5.1
135.11681	7.7
137.05984	14.9
139.07500	8.4
143.07018	44.0
144.09303	4.4
145.02832	5.4
145.06480	9.1
145.10104	62.1
146.03233	3.5
147.11691	9.6
151.07533	10.4
153.01898	4.4
157.08566	8.9
158.07286	9.0
159.08052	7.0
159.11719	23.5
163.11174	38.2
164.86964	3.6
169.10101	6.3
173.09615	65.1
177.05505	10.5
177.12741	11.2
179.07089	4.3
187.11139	39.8
189.12709	6.7
191.10649	25.9
197.09604	10.4
205.12207	39.0
207.02956	5.1
209.11694	9.5
215.10663	60.5
223.13258	5.2
227.12791	4.8
233.11732	64.7
251.12767	45.6
269.13855	5.2
287.05438	4.8
288.05701	9.4
299.06247	4.9
303.04941	8.8
307.15408	7.1
315.05014	4.9
325.16409	30.0
345.09579	9.2
381.67007	4.0
501.19751	4.2
518.23083	4.2
536.24432	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	536.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01854	3.4
55.05487	6.9
61.02883	2.5
67.05485	10.0
69.03407	10.9
69.07070	21.6
70.06221	4.3
70.06584	68.3
71.04981	7.4
71.60574	3.5
76.27755	2.5
77.78342	2.8
79.05486	17.2
80.04987	2.5
81.03393	5.8
81.07042	18.0
83.04973	47.6
85.02893	17.3
91.05439	18.1
93.07037	22.3
94.04205	3.0
95.04956	15.2
95.40585	2.7
97.02879	4.5
97.06514	38.7
99.04460	12.9
101.81951	2.3
105.01833	2.9
105.06361	3.1
105.07023	44.7
106.02905	7.4
107.04919	5.2
107.08571	13.0
108.04453	4.4
109.02860	5.8
109.06512	15.7
113.02341	3.1
117.06989	11.5
119.04914	5.1
119.08579	8.5
121.06497	26.2
121.10142	6.3
121.11928	2.3
122.03687	2.8
123.08038	2.8
124.03919	5.6
124.45610	2.6
125.05981	59.9
127.03851	7.9
127.07525	8.0
129.06987	4.1
130.07762	4.0
131.08539	19.3
133.06456	8.6
133.10144	3.8
135.04362	4.6
135.08034	3.1
135.11664	5.0
136.07541	2.9
136.99287	2.4
137.05956	92.9
139.07545	4.0
141.01776	4.3
143.07025	44.4
143.08514	5.4
144.09293	4.1
145.02800	4.0
145.06465	6.3
145.10106	76.6
147.08049	3.8
147.11694	4.9
149.05968	3.0
149.09601	3.4
151.07590	11.8
153.01813	6.1
154.07765	2.8
155.08452	4.7
157.08580	4.3
158.07263	7.4
159.07980	5.3
159.11668	35.6
161.05905	3.6
161.09512	2.5
163.03889	40.3
163.07483	5.5
163.11148	26.8
167.06984	4.3
168.00462	2.7
169.10083	9.4
171.11609	3.8
173.09608	44.2
177.05481	7.2
177.12740	10.2
178.06097	8.4
179.06984	9.1
180.06461	5.1
185.00734	4.3
187.11156	54.2
189.12637	2.9
191.06906	3.6
191.10675	19.1
193.08563	4.6
197.09581	6.0
205.12219	46.8
209.11691	9.1
215.10670	44.8
223.13255	4.8
233.11694	49.9
242.05505	2.8
251.12708	28.8
269.13812	13.3
273.67892	2.9
287.05499	22.0
288.05801	30.7
288.12515	2.8
289.07248	2.6
299.05832	5.1
307.15469	4.1
315.07977	3.2
317.06577	5.7
325.16422	21.2
327.04947	5.9
329.06424	8.1
331.12003	3.2
342.07425	3.0
343.17569	14.5
345.06055	23.1
351.54465	2.6
360.03964	2.5
360.07870	11.9
375.10703	100.0
390.84625	3.1
427.16266	3.1
501.19174	3.5
518.23743	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	536.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01865	6.1
55.41782	0.8
57.03427	4.8
61.02906	4.0
68.99784	2.7
69.03419	23.1
69.50423	0.7
71.04984	4.2
71.24918	1.6
72.04512	0.8
73.02904	6.3
73.77781	0.7
75.57967	0.8
79.05506	1.1
80.43133	0.8
81.02942	1.9
81.03409	28.1
85.02895	57.0
87.00819	23.2
91.03941	1.5
91.05405	4.6
97.02873	23.8
99.04436	9.6
105.01855	19.5
107.04926	1.6
108.04485	4.6
109.02866	23.2
109.03635	1.1
115.03944	1.3
115.05447	8.9
117.01859	4.2
117.07001	100.0
118.07351	1.1
122.03674	1.5
126.05548	1.5
127.03895	46.0
129.01801	3.2
137.05948	9.4
145.04948	22.9
147.02878	3.2
149.74815	0.9
155.06921	0.9
159.02863	19.1
167.07018	55.6
184.07266	1.2
192.04007	0.8
193.61786	0.8
213.03944	2.1
231.04970	9.9
248.07677	1.7
269.11609	1.1
299.06229	2.5
315.05118	1.3
345.09668	2.4
377.06970	1.0
401.10797	2.5
423.32730	0.9
488.78009	0.9
506.07184	0.9
536.12323	6.8
537.13849	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70430	1.0
53.03934	11.6
55.01865	10.1
55.05484	1.5
56.05832	1.3
57.03431	6.9
60.04514	1.3
61.02921	5.9
67.05494	2.0
68.99778	4.2
69.03419	38.2
69.87724	6.0
71.04966	5.5
73.02903	9.5
77.61253	1.1
79.05481	12.6
80.04996	1.1
80.24249	1.0
81.02945	2.2
81.03409	35.8
81.07039	2.8
83.01330	1.2
84.04420	1.3
85.02894	91.7
87.00817	30.5
87.01212	0.7
87.91055	1.1
91.03954	3.1
91.05453	9.9
93.07037	1.8
95.04942	2.9
95.08585	1.6
97.02879	39.6
99.04447	18.4
103.03876	1.6
104.61230	1.2
105.01856	34.0
105.07018	2.0
107.04938	33.9
107.09978	1.2
108.04465	8.6
109.02862	38.2
111.52518	1.1
115.03931	2.5
115.05438	8.5
117.01844	6.3
117.07003	95.8
124.05192	4.4
125.05988	3.9
126.05492	4.8
127.03899	70.8
129.01837	5.8
129.77844	1.1
137.05948	1.9
145.04944	31.7
147.02875	4.5
152.04716	2.7
159.02870	22.7
163.03807	1.0
163.10089	1.3
165.09109	3.5
167.07021	100.0
177.03882	1.4
189.03871	1.7
213.03893	2.9
230.06561	3.3
231.05029	13.2
233.07953	1.3
248.07664	4.7
269.11743	2.6
271.13272	3.4
281.11707	5.2
283.13214	3.4
295.13351	3.3
299.05945	3.2
376.56378	1.1
379.15540	1.4
474.50946	1.2
483.16608	2.0
528.96234	1.3
536.11755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34439	1.1
53.03936	1.3
55.05507	17.4
57.03408	2.3
57.07056	1.9
63.32388	1.3
65.03929	1.9
67.05495	36.9
69.07049	11.2
69.37476	12.8
71.05025	1.9
73.11335	1.3
78.66957	1.2
79.05488	13.9
81.06602	2.4
81.07050	28.6
81.07530	1.5
83.08617	7.7
83.38539	1.3
85.06525	1.8
91.05444	9.6
93.07031	11.0
95.04936	1.4
95.08596	21.1
97.06512	1.8
97.10166	5.4
98.20726	2.0
105.07024	10.5
107.08582	9.4
109.10137	16.1
111.08079	1.5
117.07000	4.5
119.08567	13.1
121.10139	5.6
123.08067	1.5
123.11713	3.3
125.09650	2.3
128.06212	1.9
129.06998	8.4
131.08562	10.7
133.10080	7.1
135.11673	3.5
137.13272	2.0
141.06973	8.5
142.07748	3.8
143.08548	10.9
145.10098	12.5
147.11707	5.2
149.13222	2.7
153.06960	2.8
154.07750	2.9
155.08545	23.4
156.09364	2.8
157.10107	13.5
159.11667	8.5
161.13235	2.2
165.07014	2.4
167.08560	12.6
168.09326	3.3
169.10107	28.8
169.11485	2.1
171.11661	12.0
173.13266	4.0
179.08554	3.9
180.09311	1.9
181.10106	17.7
182.10898	3.6
183.11676	29.8
185.13249	9.7
187.14806	2.9
193.10115	8.0
195.11668	21.4
196.12389	2.0
197.13251	19.2
199.14796	7.8
201.16368	1.4
205.10150	1.6
207.11742	5.9
209.13234	17.1
211.14799	11.7
213.16400	3.0
220.12476	1.2
221.13115	5.7
223.14815	11.1
225.16353	12.4
227.17943	1.9
233.13177	2.0
235.14807	3.6
237.16382	7.3
239.17883	6.5
249.16367	2.9
251.18010	4.6
253.19527	3.0
263.17947	2.4
265.19540	2.1
267.21002	3.0
277.19446	1.5
279.20929	1.8
293.22324	1.2
297.22086	1.3
299.06036	2.5
305.22708	2.2
306.94650	1.2
309.22098	2.1
311.20090	1.5
319.20490	1.3
321.22128	3.4
323.23792	2.0
335.23532	3.1
337.25308	2.2
339.22858	2.0
349.25195	4.1
351.26898	4.0
363.26813	2.9
365.28314	2.2
367.26309	2.1
377.28503	2.5
379.29926	1.8
381.27826	1.7
391.29999	4.0
393.31497	1.8
395.29355	2.3
397.54700	1.3
409.31079	3.2
423.32700	1.5
429.31512	1.7
447.32596	7.0
461.34116	2.1
465.34161	1.4
499.39120	10.2
517.40363	68.3
518.40991	2.9
535.41412	100.0
536.41718	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	535.4142
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03932	1.6
55.01871	1.7
55.05499	14.8
57.03422	1.5
57.07073	1.7
59.05010	1.2
64.82188	0.8
65.03922	1.7
67.05493	29.2
69.07053	10.6
69.76273	0.8
71.04990	2.7
71.66022	1.8
79.05486	11.8
81.07043	27.7
83.04977	1.9
83.08605	7.3
85.06522	1.7
91.05449	8.5
93.07027	12.3
95.04945	1.8
95.08587	21.7
95.61835	0.9
97.06512	2.0
97.10140	4.9
105.07023	10.7
107.08570	9.6
109.06533	1.7
109.10143	11.6
115.05449	1.2
117.07001	5.9
119.08572	8.4
120.90522	0.9
121.10110	7.6
123.08055	1.1
123.11693	3.1
125.09624	1.6
128.06213	2.4
129.07005	8.9
131.08553	9.7
131.45425	1.0
133.10109	9.3
133.27376	0.8
135.11716	3.6
137.13165	1.0
141.06941	6.9
142.07785	2.8
143.08514	11.5
145.10107	11.9
147.11685	3.6
149.13231	1.3
153.06931	2.8
154.07762	2.7
155.08524	16.5
156.09271	1.2
157.10101	12.0
159.11679	7.9
161.13284	2.5
165.06999	3.5
166.07840	1.0
167.05473	1.5
167.08531	8.3
168.09296	2.7
169.10101	22.9
171.11670	12.6
173.13220	4.9
175.14696	1.0
179.08533	4.7
180.09369	1.2
181.10075	15.8
182.10918	2.3
183.11668	24.6
185.13242	8.9
187.14818	3.6
193.10083	4.4
194.10858	1.7
195.11668	15.6
196.12437	2.2
197.13252	17.7
197.15045	0.8
199.14787	6.3
201.16423	1.5
205.10065	1.2
207.11690	5.3
208.12471	1.1
209.13254	16.0
209.15248	1.4
210.13937	1.6
211.14813	11.6
213.16460	2.6
215.18044	0.9
219.11696	1.9
221.13274	3.8
223.14810	10.4
224.15538	1.4
225.16333	10.6
227.18071	2.2
233.13243	1.4
235.14822	3.4
237.16325	6.5
239.17949	4.0
242.03807	1.1
247.14813	2.0
249.16330	2.6
251.17957	4.7
253.19505	3.6
255.34067	1.1
260.00650	1.0
261.16449	1.4
263.17978	2.4
265.19485	2.5
267.21164	2.2
277.19418	2.3
279.21155	1.9
281.22748	1.4
293.22638	1.3
295.24237	1.3
297.22006	1.3
299.06143	3.0
305.22424	1.2
307.20499	1.5
307.23959	1.1
311.20175	1.0
313.21536	1.2
319.20618	1.4
321.22116	3.3
323.23734	1.9
325.21631	1.5
335.23697	3.7
337.25119	1.0
339.23160	2.9
349.25296	2.5
351.26843	2.3
353.24673	1.4
363.26797	3.4
365.28375	2.3
367.26303	2.2
377.28293	2.0
379.30371	1.4
381.27908	2.0
391.29877	3.7
393.31583	2.1
395.29340	1.6
405.31625	1.8
409.31076	3.7
419.33685	1.3
423.32568	3.2
429.31427	2.2
443.33115	1.1
447.32437	6.0
461.34003	2.5
475.35632	1.7
499.39316	10.0
517.40369	77.4
518.40814	2.7
535.41412	100.0
536.41791	5.2
542.31677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1077
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03950	0.5
55.01871	0.5
55.54522	0.4
57.03442	0.4
58.17440	0.4
59.08406	0.4
62.63848	0.4
68.99780	0.8
69.03403	1.8
70.06581	1.2
70.37504	0.4
71.65652	0.6
74.90868	0.4
74.92650	0.3
75.82846	0.4
77.98132	0.4
81.03391	1.3
81.07026	0.5
83.04975	0.5
84.08117	1.1
85.02895	2.4
86.09695	0.6
87.00798	0.6
91.05437	0.7
93.07026	0.8
95.08580	0.5
97.02841	1.3
105.07041	0.8
107.04922	0.6
107.08561	0.7
108.38235	0.4
109.02856	1.1
109.10121	0.7
114.75883	0.4
115.03796	0.4
117.03345	1.6
119.04935	0.6
119.08604	0.7
119.14973	0.4
121.02849	0.9
127.03881	1.2
133.10129	0.7
137.02312	9.8
137.05962	4.0
137.09630	1.0
145.02829	4.0
147.04387	1.4
149.02280	0.6
149.05980	1.4
151.03835	0.4
152.61626	0.4
153.01855	0.7
157.06483	0.8
161.06007	0.9
163.03868	0.4
167.06996	0.5
169.06512	0.5
170.11682	0.4
175.03908	1.4
175.14861	0.7
177.01846	1.3
177.05450	8.4
185.05899	1.1
187.14386	1.2
189.05441	12.9
189.07164	0.6
193.04874	1.0
193.15907	0.7
197.06018	2.0
199.03902	0.7
201.05424	1.5
203.07018	0.7
213.05438	8.5
217.04916	1.2
231.06474	2.6
241.04929	7.2
259.06079	1.0
264.94351	0.4
269.04382	3.6
276.68109	0.5
287.05457	100.0
288.05716	2.2
306.63834	0.5
308.17020	0.5
311.05338	0.5
333.11630	0.5
337.10712	0.6
355.11713	0.7
535.18622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05030	0.6
58.06625	0.6
60.08158	6.1
67.05496	0.6
68.79666	0.1
69.07061	0.3
69.54171	0.2
69.54578	1.2
70.06587	0.3
71.06994	0.3
71.07364	2.8
79.05494	0.6
80.09350	0.1
81.03446	0.3
81.07047	0.5
85.02918	0.2
86.09695	29.4
87.10017	0.3
90.19762	0.2
91.05475	0.7
93.07056	0.5
95.08600	0.3
97.06526	0.3
98.98454	2.8
104.10728	3.2
105.07012	0.4
105.31940	0.2
109.10143	0.2
119.08556	0.4
121.10173	0.3
124.99989	20.1
133.10147	0.3
143.01105	0.3
162.49255	0.2
163.03830	0.1
167.06923	0.3
174.24222	0.2
184.07320	100.0
185.07648	1.0
193.08495	0.2
258.11014	0.2
289.14398	0.2
394.36700	0.2
498.29819	0.5
504.06201	0.2
516.30847	3.4
534.10901	0.7
535.10974	0.4
535.18549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.72863	0.4
55.05500	7.4
56.05032	3.7
57.07064	3.1
58.06578	0.8
60.04522	3.8
65.03937	0.7
67.05141	0.9
67.05496	12.7
68.05004	1.4
69.07058	11.2
70.06577	1.9
71.08609	1.7
71.39674	0.8
75.81378	0.5
79.05484	10.3
80.05004	3.3
81.05769	1.7
81.07045	12.4
82.06570	7.7
83.04963	0.6
83.08608	5.7
85.10149	1.0
91.05473	8.5
93.05753	0.7
93.07034	10.4
94.06555	20.6
95.04951	1.6
95.07339	9.9
95.08588	9.2
95.50321	0.6
96.08132	4.7
97.06490	0.6
97.10161	2.8
105.07010	5.4
107.08578	5.7
108.08100	3.4
109.10143	3.0
110.09639	0.7
111.11703	0.8
119.08558	6.1
121.08862	0.6
121.10136	6.1
122.09650	2.2
123.11697	1.0
124.11233	0.6
133.10132	2.9
134.09569	0.5
135.10530	0.8
135.11656	3.3
136.11169	1.3
137.13210	0.7
147.11665	1.1
149.13271	1.5
151.14745	0.6
161.13220	1.1
170.85985	0.4
191.17909	0.8
219.21123	0.5
233.22569	5.0
234.22095	1.1
245.22629	4.1
250.25272	11.2
250.27768	0.8
254.24736	0.9
262.25269	100.0
263.25656	0.9
272.25815	4.9
280.26297	11.4
300.62570	0.5
459.24313	0.5
504.47610	1.7
516.47711	7.9
527.12585	0.5
534.41730	0.8
534.48859	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05032	0.5
57.03408	0.2
58.06590	0.4
60.08152	6.0
67.05493	0.5
70.06596	0.3
71.07362	3.1
71.63754	0.3
75.58408	0.2
79.05463	0.5
81.03437	0.3
81.07049	0.6
83.04940	0.2
86.09693	30.5
87.10031	0.3
91.05476	0.4
93.07030	0.6
95.08604	0.4
97.10128	0.3
98.98453	2.7
104.10727	4.9
105.07007	0.3
107.08569	0.5
119.08522	0.3
121.10123	0.3
124.99983	21.3
139.85364	0.2
143.01018	0.4
184.07315	100.0
185.07666	0.6
191.26120	0.2
212.13092	0.2
221.48784	0.3
234.52676	0.2
258.10962	0.3
315.04852	0.2
345.09686	0.7
366.74710	0.2
508.78735	0.3
516.30676	0.8
534.31891	4.9
551.56891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1284
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
50.91650	0.1
57.15623	0.1
65.03941	0.1
67.05511	0.2
69.36710	1.3
70.06540	0.1
79.05425	0.2
81.03426	0.2
81.26041	0.1
81.73655	0.1
85.02879	0.1
91.05503	0.1
95.08573	0.3
97.02882	0.2
98.20654	0.2
105.06987	0.2
107.04935	0.6
109.06517	0.2
109.10167	0.2
117.50565	0.1
118.04130	0.3
121.06503	0.3
121.10089	0.2
123.00744	0.5
123.04396	1.0
124.01549	0.1
127.03922	0.2
131.04892	0.3
133.06470	0.4
137.05939	0.2
140.06149	0.2
147.04395	0.3
149.02261	0.2
151.00279	0.2
151.99774	0.2
152.01019	4.7
152.06175	0.2
153.01811	0.8
153.06923	0.4
157.06454	0.2
158.07297	0.1
167.06924	0.1
168.05692	1.4
170.02094	2.2
177.05379	0.2
179.03397	0.2
181.04890	0.1
181.06432	0.2
183.08038	3.4
186.06750	0.5
196.05113	0.8
197.05945	0.4
201.05472	0.4
201.09042	0.2
207.27028	0.1
211.07504	3.6
213.05418	0.7
214.06238	0.5
224.04604	0.3
225.05276	0.2
226.06114	0.2
229.08554	7.7
230.08669	0.1
239.07005	2.0
241.04973	0.2
242.05707	1.7
243.06171	0.2
253.04941	1.3
257.08145	0.2
268.07346	0.1
269.04404	1.6
270.05222	2.2
285.07523	100.0
286.07883	2.3
297.79971	0.1
325.06952	0.2
479.60080	0.2
533.12323	0.2
533.24359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1283
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03929	0.3
65.03930	0.2
66.58476	0.2
69.03414	0.4
81.03394	1.0
85.02894	0.6
87.00803	0.4
91.05491	0.2
97.02903	0.3
99.04428	0.3
107.04967	0.2
109.02866	0.3
118.54971	0.2
119.04922	0.5
120.82333	0.2
121.06490	1.0
123.04389	0.3
127.03833	0.4
134.03615	0.4
135.75488	0.2
137.02319	11.8
141.07069	0.3
148.05127	0.5
149.02345	0.6
149.05969	0.6
151.03838	0.7
163.03894	0.4
163.31898	0.2
169.06454	0.4
175.03784	1.3
176.04666	0.3
197.05933	1.1
200.04619	0.3
201.05501	0.4
209.05997	0.3
211.07535	0.7
213.05470	0.9
214.06219	1.2
224.04633	0.6
225.05438	8.0
226.05931	0.3
229.08578	5.2
239.07072	0.4
241.08572	0.6
242.05713	1.3
252.04121	1.7
253.04897	1.0
257.08035	2.0
267.06470	0.8
270.05194	1.0
285.07538	100.0
286.07861	2.8
309.07574	0.6
420.08817	0.3
533.12262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1283
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.22295	0.1
57.89196	0.1
61.02877	0.1
66.32017	0.1
67.01850	0.1
68.99786	0.1
69.03407	0.2
69.68803	0.4
76.37615	0.1
79.05494	0.1
81.03404	0.2
82.20120	0.1
85.02895	0.4
85.07713	0.1
87.00828	0.1
95.04949	0.1
95.18300	0.1
97.02876	0.1
103.05454	0.1
105.01842	0.1
105.06995	0.2
107.04927	0.3
109.02848	0.3
111.00746	0.1
118.04150	1.1
119.04954	0.1
121.02888	0.3
123.04415	2.2
123.05283	0.2
124.01551	0.9
127.03869	0.3
131.04918	0.1
133.06471	0.6
135.04416	0.1
137.02434	0.1
139.03830	0.2
145.04950	0.1
145.06523	0.1
149.02322	2.5
150.02672	0.1
152.01016	2.2
153.01801	1.6
153.02995	0.0
158.03603	0.7
159.02849	0.1
161.06009	0.1
163.02486	0.1
163.03897	0.2
169.06464	0.1
170.02078	3.3
171.08012	0.1
173.05975	0.1
174.50842	0.1
179.03369	0.7
183.07942	0.1
185.05960	0.1
186.06787	0.1
187.07568	0.1
197.05963	0.5
201.05479	0.2
204.41127	0.1
211.07503	0.2
213.05438	1.4
214.06198	0.3
225.05397	0.2
229.08568	3.8
230.09004	0.1
239.07074	0.1
241.04944	0.5
242.05701	3.2
243.06242	0.2
252.04205	0.8
253.04935	3.1
254.05629	0.1
255.06525	0.2
257.08105	0.3
269.04401	2.9
270.05182	5.5
271.05481	0.1
285.07532	100.0
286.07895	2.5
327.08514	0.1
330.62601	0.1
447.12708	0.3
533.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1284
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
70.06564	0.2
70.22535	0.6
70.33482	0.1
74.87380	0.1
75.04394	0.1
81.03404	0.2
84.08096	0.1
85.02888	0.2
90.11985	0.1
90.44658	0.1
91.05417	0.2
91.22468	0.2
95.04945	0.2
97.02864	0.3
107.04902	0.2
109.02821	0.1
114.79130	0.1
123.94683	0.2
127.03858	0.2
127.87884	0.1
131.04976	0.2
134.03618	2.1
137.01321	0.3
137.02324	5.5
137.03365	0.3
137.05917	0.2
141.06931	0.4
145.02759	0.2
147.04326	0.2
149.05942	0.2
163.03972	0.2
169.06487	0.6
175.03926	0.2
177.05481	0.4
181.06436	0.3
183.04430	0.4
185.05927	0.2
186.06699	0.6
194.77547	0.1
196.05072	0.2
197.05920	2.1
201.05383	0.4
213.05420	2.8
214.06223	2.8
225.05435	6.4
226.05698	0.2
229.08577	1.3
242.05728	2.2
253.04939	9.0
254.05164	0.3
257.07910	0.3
269.04391	1.9
270.05188	19.7
271.05545	0.5
285.07532	100.0
286.07889	2.8
533.12451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1284
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.15614	0.1
67.97729	0.1
69.91210	0.9
81.03398	0.4
91.05479	0.2
91.13422	0.1
95.04944	0.3
107.04942	0.3
111.04431	0.2
119.04953	0.7
121.02752	0.2
121.06487	1.4
123.04427	0.4
130.25732	0.1
133.02776	0.2
134.03659	0.3
137.02321	12.8
137.05946	0.2
141.06941	0.2
147.04289	0.1
148.05142	0.5
149.02341	0.6
149.05951	0.7
151.03876	0.6
163.03947	0.5
168.05739	0.2
169.06467	0.2
175.03882	1.8
176.04642	0.6
183.08281	0.1
185.05882	0.2
186.06682	0.2
187.07596	0.2
189.05482	0.1
197.05978	1.2
198.06749	0.3
200.04623	0.2
201.05460	0.3
211.07574	0.3
213.05424	0.6
214.06197	0.8
215.06921	0.2
224.04622	0.5
225.05441	9.3
226.05907	0.5
227.03401	0.4
229.08568	5.6
230.08849	0.2
239.07047	0.3
241.08592	0.6
242.05705	1.3
252.04167	1.7
253.04848	1.0
257.08099	2.0
267.06464	1.5
269.04459	0.4
270.05182	0.9
285.07541	100.0
286.07864	3.0
379.70862	0.1
418.12372	0.1
533.12494	1.3
535.59692	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.6
63.02356	0.3
67.01837	0.4
67.05476	0.7
68.02625	0.6
68.99775	0.6
69.07037	0.3
69.57617	2.3
79.05466	0.7
81.03391	0.8
81.07030	0.9
82.04169	0.6
85.02854	0.5
91.05452	0.9
92.00755	0.3
93.07011	0.6
95.08585	0.5
97.02869	0.3
98.21458	0.4
105.06980	0.6
107.01288	0.3
107.04941	1.8
107.08625	0.5
109.10133	0.4
110.03629	1.0
111.30402	0.3
119.01305	0.4
121.02799	0.8
127.03840	0.3
131.08467	0.4
133.02789	0.3
134.03647	0.4
134.94151	0.3
135.04372	1.3
138.03111	0.9
143.08563	0.4
145.10074	0.4
149.05933	0.3
150.03099	0.8
151.03873	0.4
153.01811	0.4
157.06473	0.4
161.02313	3.6
162.03094	0.9
163.03888	5.5
165.01810	0.8
171.11618	0.3
175.03871	0.4
177.01886	0.3
177.05553	0.4
178.06224	7.6
179.03413	0.4
185.05959	0.6
189.01805	9.8
191.03317	0.7
194.02077	3.7
201.05537	0.4
203.03285	1.0
207.02820	0.7
213.05458	0.9
223.02293	3.6
223.04295	0.3
226.02431	0.3
228.04262	0.4
231.02867	2.0
241.04868	1.3
254.02032	0.6
269.04440	3.5
271.09744	0.4
279.03049	0.3
282.01529	0.6
285.07608	0.4
295.02618	0.7
296.06824	0.7
297.03918	1.0
299.09094	0.5
311.05478	0.7
313.03293	0.6
320.07291	0.3
323.05484	0.4
325.03503	0.5
340.01901	0.6
341.02792	1.9
359.05353	0.3
360.06366	0.6
366.04019	0.7
371.07568	0.4
373.07007	0.4
375.04959	0.6
376.05737	1.2
387.04575	0.3
388.05972	0.3
391.04346	1.0
401.06558	0.4
404.05167	5.1
405.05936	0.4
415.04431	0.9
429.06006	1.0
431.07721	0.9
432.04813	0.6
441.05844	0.5
443.03940	1.8
447.07162	1.2
457.05392	1.1
459.06989	0.3
460.04245	0.5
469.05612	0.5
475.00287	0.5
475.06635	6.2
485.04880	1.4
487.06589	0.7
488.03192	1.4
489.07739	0.5
500.07431	0.8
501.08301	0.6
503.06027	44.6
504.06256	1.2
517.07391	1.5
518.08313	3.2
533.10718	100.0
534.10950	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	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
54.88160	1.6
55.01866	6.5
55.05505	29.4
57.03432	10.1
57.07060	3.8
58.06564	1.4
65.03931	4.0
67.05498	96.0
69.03424	20.5
69.07057	26.1
69.28834	13.3
71.01340	2.4
71.04982	8.3
73.02892	3.8
79.05483	78.6
80.26297	1.2
81.03413	27.0
81.07045	100.0
82.07368	2.1
83.04969	9.0
83.07352	2.1
83.08606	13.1
85.02893	20.9
85.06534	4.4
91.05468	58.7
93.07030	99.5
95.04955	16.3
95.08591	69.4
95.09203	3.0
96.08956	1.7
97.02885	17.5
97.06509	6.0
97.10149	6.4
98.09681	23.9
98.20735	3.3
99.04444	7.8
99.08100	2.6
103.03940	5.6
105.07017	49.4
107.04942	6.4
107.08576	47.8
108.04472	3.0
108.08877	1.5
109.02863	5.4
109.06492	7.0
109.10144	35.0
111.04443	7.5
111.08089	5.9
111.11706	1.6
115.03898	2.4
115.05441	3.1
116.10724	26.2
116.11544	1.9
117.06999	24.5
119.08565	47.1
121.06474	6.0
121.10129	49.4
123.04440	1.9
123.08068	5.9
123.11700	15.8
125.09702	3.0
127.03905	6.4
128.06195	3.3
129.05481	3.4
129.06972	12.6
131.07553	1.9
131.08549	35.9
131.09465	2.8
133.06497	4.3
133.10115	33.2
135.08037	4.0
135.11670	33.2
137.05997	2.4
137.09605	3.2
137.13252	3.5
139.11156	2.3
141.06989	4.8
142.07765	2.1
143.08553	11.2
145.04950	4.7
145.06456	3.5
145.10104	30.8
147.04384	1.9
147.08041	4.6
147.11670	23.0
149.09605	4.5
149.13255	16.9
151.07513	3.6
151.11168	2.3
153.09048	1.5
155.08566	5.1
157.06529	1.9
157.10115	8.7
159.08041	2.2
159.11670	20.9
161.09639	4.0
161.13220	14.6
163.11197	4.9
163.14861	6.9
165.06963	1.9
165.12773	2.1
167.08539	2.8
169.10129	5.7
170.03670	1.8
171.08026	2.4
171.11639	9.4
173.09569	2.6
173.13252	21.8
175.11134	3.3
175.14822	6.7
177.12798	3.6
177.16393	2.9
179.14163	1.8
181.10051	2.7
183.11716	5.9
185.09631	3.4
185.13268	7.7
187.11169	2.4
187.14737	10.1
189.12721	3.3
189.16359	2.1
191.14291	1.8
195.11705	4.9
195.13573	1.5
196.07271	11.4
197.09618	2.4
197.13248	4.0
199.11230	2.1
199.14841	6.0
201.12698	3.2
201.16280	2.6
203.14349	2.2
209.13342	3.0
211.14784	2.4
213.16371	3.4
215.14403	2.2
219.17436	2.2
221.13298	1.8
223.14868	3.0
225.12700	2.2
225.16341	2.0
231.13834	1.7
233.22478	1.4
235.13184	3.3
241.15997	1.4
241.19501	3.9
243.21114	9.5
249.14795	2.3
253.14319	1.8
255.20987	1.6
259.20651	10.3
261.22116	37.5
271.20483	3.9
273.22067	3.9
275.20096	1.4
277.14084	2.8
277.21643	7.4
285.22162	3.9
287.19867	2.5
289.21579	5.0
291.23196	5.6
295.15128	1.5
297.22046	2.7
301.21567	4.7
303.23111	10.6
309.21826	1.6
313.21646	2.5
315.23114	5.6
317.24725	2.0
319.22589	3.5
323.23694	2.1
327.23077	5.0
331.22632	3.3
341.24866	8.0
345.24289	4.2
351.23096	11.1
353.26712	2.4
369.24225	31.7
387.25189	23.8
405.26324	28.0
423.27365	13.2
444.71490	1.7
514.35846	4.1
532.35101	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	531.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.3
55.01855	7.9
55.05502	19.7
57.03414	5.2
57.07056	4.8
65.03914	3.4
67.05497	100.0
69.07068	21.7
71.04962	9.5
71.59145	4.2
79.05485	61.0
81.03394	7.3
81.07050	83.3
83.04926	6.9
83.08592	9.7
85.06508	9.0
87.04440	8.4
91.04944	4.6
91.05468	63.0
93.07040	61.2
95.04922	11.1
95.08597	38.6
97.06508	6.9
99.04337	2.5
102.86885	2.7
105.04517	2.8
105.06353	3.7
105.07014	54.7
107.08588	65.9
109.06461	7.6
109.09450	4.7
109.10151	81.5
112.33939	2.3
113.05994	4.1
115.07501	2.8
117.06956	10.7
119.08553	19.3
121.10124	24.0
123.11704	13.2
127.07503	5.7
129.06837	2.8
131.08554	14.1
131.37059	2.4
133.10115	93.7
135.11665	15.0
143.08562	2.7
145.08971	2.5
145.10062	8.3
147.11627	8.0
149.13179	9.1
151.10069	3.9
151.11168	57.4
151.74527	2.5
155.08511	3.5
159.11630	6.5
161.13251	6.4
169.10127	3.9
169.12318	13.3
173.13185	4.0
177.05452	4.2
179.10509	2.9
187.14816	4.4
200.63405	2.5
215.12662	4.5
221.86562	3.3
240.59236	2.6
243.21057	4.8
253.14326	85.0
261.22113	25.9
271.15408	4.3
317.24808	5.7
339.50577	3.0
411.32446	4.1
431.93564	3.1
439.32013	5.3
457.33109	5.1
503.37317	3.8
513.35938	15.8
531.36835	90.9
532.37549	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	531.3674
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.03920	2.8
55.01858	4.1
55.05503	30.9
57.03435	11.9
57.07066	1.8
61.14378	1.8
67.05498	58.4
69.07059	23.3
69.71299	13.6
71.04971	4.9
71.52947	1.9
79.05483	49.5
81.03420	5.2
81.07045	52.2
83.04974	4.2
83.08617	13.3
84.86180	1.6
85.06544	3.5
91.05466	46.7
91.68919	1.7
93.07030	53.1
93.31467	1.9
95.04948	8.7
95.08591	41.4
95.09195	2.5
97.06509	9.1
97.10144	13.2
98.21416	3.5
98.40088	1.9
99.08112	2.3
103.05445	2.1
105.07013	45.5
107.08574	37.2
107.09239	2.7
109.06509	4.4
109.10148	20.2
116.11728	1.8
117.06995	20.3
119.08559	43.9
121.10116	21.8
123.08095	5.0
123.11697	5.6
125.09628	6.5
128.06171	4.1
129.06985	19.6
131.08551	37.5
133.10107	33.6
135.08035	2.6
135.11670	27.8
137.09613	3.5
141.06985	4.4
142.07736	2.8
143.08545	23.1
144.72777	1.9
145.10106	46.2
147.08080	2.6
147.11652	28.3
149.09564	3.7
149.13252	6.6
151.11134	2.9
155.08557	12.6
156.09329	4.0
157.10091	22.8
159.08069	2.2
159.11681	35.5
161.09647	2.8
161.13202	16.6
163.11191	5.9
163.14833	3.1
167.08498	2.5
169.10123	14.9
171.11664	29.4
173.13206	23.5
173.14375	2.0
175.14851	8.4
179.08640	2.3
181.10124	8.0
181.12231	6.8
183.11642	17.1
185.13214	17.3
187.14783	11.9
189.12744	3.0
193.10126	2.6
195.11713	6.2
197.13239	9.5
199.14780	10.9
201.16373	5.5
207.11760	3.0
209.13266	7.3
211.14815	7.6
213.16368	4.4
215.17860	2.8
223.14809	6.5
225.16338	3.5
227.18047	2.1
229.15964	2.1
231.21008	3.1
235.14738	2.6
237.16379	3.4
239.18028	2.1
241.19421	13.7
247.16980	2.9
253.14299	7.5
255.15799	14.4
259.20517	26.5
273.18481	2.1
275.19922	2.2
277.19321	2.4
283.20654	2.1
285.21982	3.0
287.19977	3.1
295.20499	2.1
297.22070	4.4
299.23596	2.6
304.22083	2.0
313.21671	3.4
315.23126	3.8
323.23712	3.1
333.24313	10.6
335.23428	2.7
353.24664	2.1
373.27090	2.3
393.31519	3.5
403.29855	6.8
409.30890	6.5
411.32468	10.7
421.30988	26.5
422.31458	1.9
429.33575	3.0
439.31946	20.3
457.33215	18.1
483.34753	3.6
485.35959	7.6
495.34912	8.7
501.35712	5.9
503.37250	35.2
509.08209	2.6
512.79926	2.1
513.35706	100.0
514.36346	5.1
531.36633	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01864	5.4
55.05505	18.2
57.03427	15.2
59.04981	1.7
63.52875	1.6
67.05497	33.0
69.03414	5.6
69.07055	10.8
70.92381	4.0
71.04977	5.6
71.64780	1.4
79.05482	28.2
81.03407	73.1
81.07043	35.7
83.04973	21.4
83.08607	25.9
85.02892	29.2
85.06538	1.7
86.51591	1.5
91.05466	45.8
93.07037	21.9
95.04954	28.2
95.08586	15.7
97.02889	4.6
97.06515	6.6
97.10172	4.7
99.08066	3.6
105.07012	27.4
107.04946	10.6
107.08576	8.5
109.06491	6.5
109.10159	4.7
111.04426	2.5
111.08081	15.9
113.06024	4.0
115.05499	1.8
117.07008	2.0
119.08564	25.4
121.06513	2.8
121.10149	12.5
123.04363	1.9
123.08067	4.9
123.11717	2.2
124.04884	1.7
125.09641	3.9
129.06982	12.8
131.08557	13.9
133.06522	3.4
133.10103	17.3
137.05927	2.0
139.03796	1.6
142.07779	3.5
145.10117	2.5
147.08040	3.4
147.11662	16.4
149.09654	7.8
157.10091	20.5
161.13269	1.5
163.11206	2.2
165.12753	2.8
167.07016	3.2
168.77840	1.5
175.04393	1.3
175.11139	23.2
175.70901	1.3
193.12227	69.0
211.13260	100.0
267.15866	25.3
285.16913	79.4
367.22873	1.9
385.23578	2.0
459.27176	6.2
477.28629	10.3
495.29468	23.6
496.29758	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01868	5.5
55.05253	2.9
55.05505	37.1
56.94350	2.0
57.03428	17.0
57.07059	3.3
65.03934	5.6
67.05498	100.0
68.05832	6.1
69.07054	21.9
69.76672	15.1
71.04963	7.1
73.02907	5.8
79.05481	55.5
80.05800	2.6
81.03407	10.3
81.07050	83.2
82.07375	6.0
83.04951	10.4
83.08611	22.0
85.02889	9.6
85.06537	4.6
87.04459	5.1
91.05465	35.0
92.05765	3.5
93.07034	53.5
94.07355	5.9
95.04966	11.6
95.08602	27.0
96.08952	3.6
97.06509	6.9
97.10152	11.9
105.07027	20.8
106.07323	3.4
107.08586	34.5
109.06506	4.3
109.10139	32.5
111.08045	5.5
117.07010	12.6
118.07420	2.6
119.08585	18.1
120.08884	3.5
121.10136	16.2
122.10400	3.1
123.11695	4.8
123.28490	2.4
125.09606	19.3
129.05539	4.2
129.06975	3.3
131.08578	16.1
132.08876	5.0
133.10118	21.3
134.10463	3.4
135.08009	3.5
135.11697	17.0
137.09518	2.7
143.08525	3.2
145.10095	10.0
146.10437	3.6
147.11650	5.1
149.13271	17.4
150.13589	4.8
151.11166	3.5
155.10596	3.0
157.10159	2.3
159.11658	12.3
161.13229	3.9
163.11150	5.0
165.12727	2.3
171.11618	3.0
172.11995	3.0
173.11732	7.3
173.13165	3.8
177.12788	3.2
191.10608	2.8
193.12267	2.5
195.13760	17.6
199.13263	7.3
209.11568	4.4
213.14726	2.8
227.12814	3.7
229.14299	32.8
267.15930	3.0
269.17432	43.1
291.51740	2.1
301.16425	7.5
341.94131	2.3
342.83234	2.7
342.88327	2.2
375.44424	2.4
423.16544	2.3
423.27228	10.4
438.34424	5.6
439.34778	2.1
495.29480	11.4
512.37952	2.7
513.30347	7.6
530.39264	59.8
540.70935	2.5
553.98956	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	530.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52349	0.3
55.05501	0.5
62.06064	0.3
67.05478	0.3
68.71822	0.3
69.54027	2.0
79.05472	0.5
81.07014	0.3
85.02885	0.4
97.02853	0.4
97.06510	0.4
99.07198	0.3
105.03371	0.3
105.06992	0.4
105.90909	0.3
107.04943	0.4
107.08569	0.5
109.06499	0.3
119.01274	0.8
119.08613	0.3
121.02840	0.5
136.87338	0.3
137.05937	0.3
139.07570	0.3
142.08618	1.7
145.10063	0.4
147.04361	0.3
151.03856	0.5
161.05933	0.5
163.03911	1.2
163.07484	0.3
165.01816	4.6
165.06889	0.3
167.07047	0.8
169.06567	0.7
177.05444	1.1
178.06277	2.5
179.03395	0.4
181.06485	0.3
183.02898	0.8
186.22125	0.6
191.03366	1.2
191.06998	0.7
193.05037	0.7
197.05963	1.7
205.04924	0.8
209.06062	0.4
211.07538	0.5
219.02881	0.5
220.03291	0.6
223.07393	0.3
224.08279	0.3
225.05482	1.4
226.06105	0.3
229.04991	0.5
237.05534	0.7
239.07022	0.7
240.07816	0.6
242.05670	1.9
243.06464	0.4
251.07050	0.5
253.04889	5.0
253.08708	0.3
254.05466	0.3
257.04645	0.3
261.04123	0.3
265.04773	0.3
267.06519	1.1
268.07214	1.6
269.08087	0.8
270.05069	0.5
272.06754	0.6
278.05746	0.4
280.07422	0.3
281.04419	9.3
282.04929	0.5
283.06073	0.6
283.09598	0.7
285.07468	1.3
293.04797	0.3
293.08179	0.4
295.06049	2.5
296.06738	4.0
297.07645	0.5
298.04721	0.3
299.05380	1.5
300.06268	0.9
307.06085	0.5
309.03903	4.2
309.07413	0.9
310.04593	0.6
310.08170	0.5
311.05719	0.5
311.09116	3.4
312.02640	0.3
312.06290	0.4
313.06952	3.0
314.07629	0.3
323.05408	1.5
324.06223	8.3
324.09964	0.5
325.07040	1.5
326.04163	0.9
327.04962	6.5
328.05707	4.1
337.06946	0.4
338.07840	0.9
339.08499	2.1
340.08966	0.3
341.06503	22.0
342.06989	0.7
343.08096	2.3
355.08221	0.5
356.08850	20.3
357.09415	0.9
371.11203	100.0
372.11676	1.8
392.12042	0.3
398.13037	0.4
452.14212	0.6
454.18692	2.1
498.17554	0.5
512.19122	0.5
530.19977	0.7
559.03235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
53.03934	6.6
54.65601	1.5
55.05502	19.9
57.03416	5.2
57.07076	2.9
60.33847	1.0
65.03925	3.2
67.05499	69.3
69.07060	23.3
71.04971	5.4
79.05485	53.9
80.64523	1.1
81.03414	2.2
81.07047	77.4
83.04961	4.7
83.08614	10.9
85.06538	3.0
90.71989	1.2
91.05470	31.3
93.07033	64.6
95.04949	7.5
95.08598	36.5
97.06530	9.2
97.10169	2.6
99.08073	2.2
103.05415	1.1
105.04485	1.7
105.07016	20.1
107.08578	33.9
109.06504	2.7
109.10145	8.2
111.08054	4.7
117.07004	13.3
119.08560	16.3
121.10135	28.9
123.11703	2.4
125.09626	1.6
129.06963	2.7
131.07642	2.2
131.08553	21.0
133.10115	12.7
135.08090	1.3
135.11690	16.5
139.11180	1.8
141.06950	1.3
142.07666	1.2
143.08545	4.8
145.10121	10.9
147.11668	7.1
149.09578	1.4
149.13232	26.4
155.08502	2.0
157.10152	3.5
159.11668	14.9
161.13261	4.3
163.14757	1.6
167.14291	1.5
169.10185	1.8
171.11604	3.1
173.13266	5.5
175.14775	1.9
177.12715	5.1
183.11620	2.1
185.13271	3.3
187.14769	1.8
195.13763	7.0
209.13269	1.2
211.14932	1.3
213.16544	1.3
237.76550	1.1
243.21121	1.6
261.22058	5.7
290.00818	1.3
324.66721	1.2
325.93997	1.2
437.34106	7.0
455.35052	1.9
511.38168	2.6
529.38824	100.0
530.38898	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	530.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
55.05499	0.3
65.21042	0.1
67.05502	0.2
69.03423	1.0
70.06567	0.3
71.04980	0.2
71.32290	0.1
72.08189	0.2
72.50931	0.2
78.03452	1.7
78.44511	0.2
80.04975	0.3
81.03397	0.5
83.04974	0.2
85.02874	1.0
86.09691	0.5
86.18475	0.2
95.04949	0.5
95.68297	0.2
96.04481	0.4
97.02878	100.0
98.03214	0.7
98.20732	0.4
99.04436	0.3
106.02905	6.0
113.05974	0.6
124.03936	10.6
127.03880	0.5
131.07027	2.0
145.04939	0.3
156.88879	0.2
196.06032	0.3
220.06015	25.2
221.06306	0.3
238.07068	6.1
254.06514	0.5
256.08118	0.7
318.28922	0.2
368.13199	0.3
382.10965	0.3
400.12350	8.7
405.78769	0.2
530.18494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.03938	4.8
55.01858	1.9
55.05508	18.8
57.03429	5.0
57.07074	1.8
65.03918	4.6
67.05496	60.1
69.03422	1.1
69.07062	22.9
71.04992	3.1
77.03902	1.1
79.05485	49.7
81.03423	1.9
81.07047	64.4
83.04963	3.8
83.08612	10.4
85.06541	3.0
91.05472	28.5
93.07034	57.4
95.04954	7.7
95.08596	32.4
97.06523	6.3
97.10169	2.1
99.08098	2.0
102.09123	1.0
103.05468	1.4
105.04441	1.0
105.07020	21.6
107.08578	29.9
109.06502	2.3
109.10139	11.1
111.08076	3.1
111.11684	0.9
115.02444	0.9
115.05482	1.1
117.07008	11.5
119.08569	15.7
121.06464	1.4
121.10125	24.8
122.03122	0.9
123.08067	1.5
123.11708	3.1
124.38648	0.8
125.09636	1.6
128.06227	1.4
129.06990	4.2
131.08549	18.2
131.09474	1.2
133.10130	15.1
135.08055	1.2
135.11684	11.5
139.11148	1.0
141.06981	1.5
143.08530	7.0
145.10115	13.1
147.11700	7.9
149.09662	0.9
149.13240	21.4
151.11221	1.7
155.08609	3.4
157.10078	6.2
159.11668	15.4
161.13225	5.7
163.14743	1.3
169.10181	2.7
171.11662	4.5
173.13245	6.5
175.14833	1.8
177.12770	3.3
181.10089	1.7
183.11725	2.0
185.11789	0.8
185.13197	4.0
187.14861	2.1
195.11842	1.9
195.13821	4.8
197.13396	1.2
199.14841	2.4
199.52029	0.7
201.16383	1.3
209.13293	1.0
211.14838	1.4
213.16470	1.2
221.13406	1.0
237.16522	1.0
241.19533	1.2
243.21074	1.3
253.14348	1.9
256.26337	6.3
257.18863	0.9
259.20682	2.2
261.22269	3.6
283.20624	1.0
299.23672	1.4
303.89157	0.8
311.23669	1.5
325.25562	0.8
347.25504	0.8
419.33203	2.2
437.34146	7.3
455.35272	3.4
473.36545	1.2
501.35980	1.0
511.38028	5.6
529.38916	100.0
530.39227	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
52.61478	0.8
53.03938	5.0
55.01858	2.7
55.05245	1.7
55.05505	18.8
57.03415	4.5
57.07058	4.2
65.03928	3.3
66.80675	1.0
67.05495	72.1
69.07056	21.3
69.93773	2.5
69.94177	4.7
71.04969	4.0
76.32368	0.9
77.14853	1.0
79.05482	55.8
81.03412	2.3
81.07044	73.5
83.04964	3.6
83.08607	13.6
84.95748	1.1
85.06529	3.4
91.05467	37.5
93.07031	64.6
95.04951	7.6
95.08594	34.7
95.09206	1.6
97.06519	8.3
97.10110	1.6
98.20788	1.4
98.38894	1.2
99.08086	1.7
105.04516	1.4
105.07013	25.3
107.04901	1.3
107.08580	28.6
109.06532	2.5
109.10133	14.2
111.08105	4.8
115.05482	1.3
117.07003	12.9
119.08572	17.2
121.06445	1.8
121.10125	22.9
123.08073	2.2
123.11691	4.1
125.09558	1.2
128.06239	1.1
129.06982	4.1
130.07765	1.5
131.08549	21.8
133.10100	17.0
135.11676	13.5
141.07019	1.3
143.08549	5.7
145.10101	15.2
147.11673	5.9
149.13237	18.8
155.08539	4.2
157.10080	7.1
159.11678	14.3
160.11998	1.2
161.13243	4.7
163.14775	1.5
167.08516	1.4
169.10124	4.0
169.27594	1.1
171.11676	3.6
173.13232	7.2
175.14783	1.5
177.12701	2.9
183.11757	2.9
185.13240	3.1
187.14780	3.4
195.11887	1.8
195.13774	7.2
197.13254	2.3
199.14890	2.3
209.13187	2.5
211.14792	1.3
213.16389	1.8
223.14821	1.1
261.22208	3.3
299.23676	1.2
311.23709	1.4
338.71332	1.0
419.33154	2.0
437.34027	8.4
455.35083	3.3
473.36203	2.0
511.37778	4.4
529.38800	100.0
530.39172	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03938	4.1
55.01867	1.5
55.05503	18.2
57.03423	3.7
57.07068	3.7
58.07799	0.9
65.03926	2.5
67.05498	54.9
69.03416	1.1
69.07063	15.9
69.29272	4.9
69.29713	4.6
71.04975	2.6
79.05482	42.0
81.03423	1.9
81.07044	60.7
82.07375	1.0
83.04985	4.0
83.08610	11.3
85.06528	2.9
87.04450	12.9
91.05466	30.6
93.07033	48.6
95.04961	5.9
95.08595	30.7
97.06511	5.9
97.10152	2.8
98.21120	4.2
99.08109	2.0
103.05482	1.2
105.04500	1.1
105.07014	18.4
107.04998	1.3
107.08579	25.7
109.06505	2.6
109.10134	12.3
111.08056	2.9
115.05439	0.9
117.07006	9.5
119.08562	16.5
121.06477	2.1
121.10125	16.2
123.08049	1.5
123.11697	3.1
125.09618	1.7
128.06233	1.6
129.07005	3.9
131.08551	18.5
133.10110	16.0
133.11049	1.5
135.08054	1.5
135.11670	10.9
137.09654	0.9
139.90962	0.9
141.06998	2.5
143.08539	7.4
145.10109	11.9
147.11647	7.2
149.02058	0.8
149.13235	15.7
149.14325	0.7
151.11130	1.1
155.08580	3.2
155.93857	1.0
157.10085	4.9
159.11685	12.6
161.13258	4.5
169.10155	2.5
171.11690	4.0
173.13223	6.5
175.11203	0.8
175.14821	1.8
177.12749	3.5
181.10158	1.8
183.11700	2.6
184.00424	0.8
185.13327	2.7
187.14844	3.5
195.11871	1.3
195.13838	4.2
197.13321	2.7
199.14786	1.7
201.16438	1.5
209.13199	1.3
211.14780	1.3
213.16472	1.1
223.15004	1.0
237.16399	1.1
241.19530	0.9
243.20955	1.3
256.26425	4.1
257.19421	1.3
261.22171	3.5
285.22064	1.2
289.21716	1.1
304.96817	0.9
370.37875	0.9
419.33530	1.0
437.34210	6.5
455.35251	3.5
457.94876	0.9
473.36563	1.1
511.37958	6.1
529.38879	100.0
530.39038	5.0
539.52722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03928	4.5
55.01855	2.7
55.05241	1.6
55.05502	22.6
57.03434	5.4
57.07053	2.9
59.16421	0.9
61.76602	0.8
64.44910	0.7
65.03928	4.3
66.05454	0.8
67.05496	71.7
67.44962	0.8
69.03415	1.2
69.07058	24.2
69.60569	2.6
69.60986	3.0
71.04965	3.4
71.08625	0.9
72.19107	0.9
77.03911	1.3
79.05482	59.3
81.03419	3.1
81.07044	85.1
83.04977	4.5
83.08603	13.4
85.06525	3.3
87.04459	0.9
88.17068	0.7
91.05468	41.7
93.07032	69.9
95.04961	9.8
95.08593	38.5
95.09206	1.7
97.06521	6.8
97.10159	3.7
98.21485	1.3
99.08069	3.1
105.04502	2.6
105.07018	21.3
107.08577	38.4
109.06516	2.4
109.10139	13.2
111.08076	3.9
115.05440	1.5
117.07006	12.9
119.08558	16.7
121.06490	1.1
121.10126	25.9
123.08066	1.3
123.11694	3.7
125.09643	0.9
128.06186	1.0
129.06966	4.1
131.07553	1.1
131.08551	22.0
133.10101	15.8
135.08037	1.7
135.11679	16.7
139.11194	0.8
141.06944	1.5
141.18443	0.8
142.07761	0.7
143.08571	6.4
144.09329	1.1
145.10103	13.6
147.11638	6.6
149.09607	1.1
149.13237	22.4
151.11295	0.8
155.08604	1.6
156.09410	0.8
157.10124	5.9
159.11678	14.9
161.13225	4.1
163.14792	1.1
167.08575	0.9
167.14355	0.8
169.10149	2.3
171.11655	4.2
173.13252	6.1
175.14856	2.7
177.12724	3.6
181.10094	1.0
183.11659	2.1
185.13274	3.4
187.14801	2.1
195.12003	1.5
195.13751	7.7
197.13251	1.6
199.14825	1.9
201.16354	1.8
211.14856	1.5
239.17787	1.1
251.26521	0.9
258.63281	0.8
261.22131	4.2
285.22064	0.8
299.23676	0.9
311.23752	0.9
313.25479	1.1
317.24832	1.0
319.53009	0.9
419.33188	2.2
437.34113	7.8
455.35214	1.4
473.36856	1.1
511.38022	2.9
529.38837	100.0
530.39197	3.1
540.70215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77734	0.8
53.03938	5.0
53.86168	0.7
55.01863	2.2
55.05506	17.1
57.03433	4.0
57.07058	2.1
65.03930	3.0
67.05499	58.4
68.05818	0.9
69.03403	1.7
69.06695	1.8
69.07058	20.4
70.18092	4.2
71.04987	3.9
71.08614	1.9
73.06547	1.1
74.96242	0.7
79.05484	46.0
80.05809	1.1
81.03399	3.8
81.07048	73.0
83.04978	3.5
83.08614	12.7
85.06531	3.8
91.05473	31.1
93.07034	53.4
93.76097	0.9
94.07417	1.0
95.04955	6.1
95.08595	33.0
97.06531	6.2
97.10151	2.7
98.21393	0.9
99.08070	1.4
105.04553	1.0
105.07018	19.7
107.04948	1.4
107.07844	1.4
107.08578	28.9
109.06537	2.5
109.10140	8.7
111.08072	4.6
115.05436	0.9
117.07013	13.9
119.08556	14.4
121.10126	23.3
123.11701	4.2
125.09630	1.4
126.09064	0.8
128.06238	1.2
129.06987	4.6
131.08554	16.7
133.10112	15.2
135.08005	1.9
135.11685	13.6
141.06999	2.1
142.07765	1.1
143.07610	0.9
143.08513	4.8
144.09328	1.2
145.10110	11.6
147.08005	0.9
147.11667	6.9
149.13242	16.4
151.11191	1.1
155.08586	2.5
157.10098	5.9
159.11697	13.7
161.13214	4.3
163.14841	1.6
167.14314	0.9
169.10162	2.3
171.11685	3.7
173.13235	5.1
175.14796	2.2
177.12767	3.9
181.10101	2.0
183.11667	1.8
185.13258	3.3
187.14850	3.9
188.63699	0.8
195.11949	1.2
195.13843	5.2
197.13229	1.5
199.14842	1.7
201.16335	1.2
209.13304	1.0
213.16536	1.6
223.14841	1.0
225.16400	1.0
243.21111	0.8
261.22156	4.2
299.23767	1.6
313.25143	1.1
339.27036	0.9
349.29501	0.9
363.27289	1.0
419.32846	3.1
437.34140	7.9
452.41168	1.1
455.35306	2.3
473.37149	1.3
511.37723	3.7
529.38855	100.0
530.39099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01874	2.1
55.05504	24.5
57.03429	4.4
57.07052	2.7
65.03928	3.9
67.05496	70.0
69.07061	23.9
69.30540	11.1
69.30953	4.8
71.04980	5.2
71.08608	1.9
78.08855	1.3
79.05482	53.5
81.03417	2.0
81.07044	72.4
83.04977	5.4
83.08611	12.2
85.06546	3.7
91.04921	2.7
91.05467	38.1
93.07030	61.4
95.04948	9.9
95.08600	32.0
97.06519	7.4
97.10143	3.0
99.08073	1.9
105.07009	24.3
107.08582	30.7
109.06489	2.6
109.10139	11.9
111.08074	5.1
115.05470	1.7
117.07005	12.6
118.80038	1.3
119.08566	14.4
121.06440	1.2
121.10115	24.6
123.11713	3.1
125.09605	1.5
128.06183	1.5
129.07010	3.6
131.08553	15.4
133.10103	15.2
135.08018	1.5
135.11668	14.0
143.08562	4.6
145.10103	11.0
147.11604	7.3
149.13226	17.6
155.08554	3.0
156.46338	1.4
157.10129	4.9
159.11685	14.3
161.13258	3.9
163.14780	2.0
169.10110	2.1
171.11661	4.6
173.13258	6.6
175.14842	2.2
177.12714	4.3
183.11688	1.7
185.13199	3.8
187.14845	3.0
195.13792	10.0
197.13271	3.4
199.14793	3.6
223.14780	1.4
261.22183	2.5
317.24713	2.1
325.25351	2.0
329.62219	1.6
354.16522	1.5
373.97144	1.4
419.32938	1.6
437.34091	8.6
455.35349	2.7
511.37531	3.9
519.13348	1.4
529.38831	100.0
530.39288	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	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01854	3.3
55.05504	17.3
57.03435	11.8
57.07057	5.5
65.03919	3.7
67.05496	96.3
68.05817	2.1
69.03424	1.9
69.07062	19.9
71.00391	4.3
71.00726	3.7
71.01349	3.5
71.05003	2.7
73.02898	5.1
79.05482	52.2
81.03415	3.7
81.07047	100.0
83.04955	3.8
83.08619	9.4
85.02907	13.5
88.63750	1.9
91.05473	31.4
93.07035	62.0
95.01306	6.0
95.04968	6.9
95.08592	67.4
97.02958	2.1
97.06528	7.1
97.10158	6.4
99.00818	2.6
99.08065	2.4
105.07017	31.7
105.30787	2.2
107.08569	38.6
109.06514	4.2
109.10139	42.1
111.08006	2.2
113.02364	7.4
117.07014	14.8
119.08559	22.3
121.10129	31.4
123.11707	22.0
125.09624	2.5
129.07002	4.2
131.08545	28.0
133.10121	22.3
133.20683	1.8
135.11674	30.1
137.13266	8.4
141.01820	16.2
143.08521	5.1
145.10106	22.8
147.11656	14.1
149.09634	2.9
149.13219	17.4
153.06918	2.3
157.10098	6.5
159.02872	2.8
159.11647	16.6
161.12094	1.8
161.13226	11.6
163.14841	8.6
165.12714	2.0
171.07962	2.4
171.11635	3.5
173.13260	15.8
175.14809	3.3
177.12668	2.3
177.16379	3.8
183.11560	2.7
185.13347	4.0
187.14796	7.6
189.16438	2.7
201.16338	3.0
243.21069	25.1
259.20715	2.3
261.19305	5.0
261.22110	99.7
273.69482	2.4
275.20218	2.8
279.23196	7.6
297.57034	2.5
335.25778	24.1
339.23410	2.9
353.26816	72.9
354.27515	2.9
355.22690	2.6
377.26962	4.4
383.21896	2.7
431.28091	3.0
435.34113	2.2
457.25537	2.5
493.28125	3.1
529.38800	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	10.5
54.71153	4.2
55.01860	35.1
55.05499	43.8
57.03425	25.1
59.05006	4.2
61.02916	43.6
67.05491	86.4
69.03419	33.6
69.07055	38.2
71.60345	5.6
73.02905	14.7
79.05476	79.4
81.03419	28.0
81.07046	57.5
83.04967	17.4
83.08614	26.2
85.02892	49.3
85.06542	8.4
91.03944	26.0
91.05476	59.2
93.07030	53.0
95.04970	21.8
95.08585	37.3
97.02884	47.8
97.06519	74.6
97.10146	35.3
105.07009	58.5
107.04912	29.0
107.08575	74.2
109.02861	10.7
109.06509	10.2
109.10152	31.2
111.04391	4.1
111.08073	6.5
117.07001	19.8
119.04932	6.4
119.08559	37.2
121.06500	7.4
121.10145	26.1
123.04427	4.4
123.08000	5.1
123.11700	12.7
125.09620	41.8
127.03876	15.3
129.07031	9.3
131.08536	27.5
133.10100	33.1
135.08044	13.4
135.11697	11.6
135.34587	5.3
137.05942	9.3
137.09618	10.3
143.08618	8.7
145.04933	6.9
145.06506	4.6
145.10115	26.6
147.04356	6.6
147.11668	19.4
149.09598	45.4
151.11194	5.0
151.14812	4.6
155.08658	4.8
157.10118	6.0
159.11682	13.8
161.05974	5.2
161.13246	14.2
163.11168	18.7
165.06888	3.9
167.06944	10.2
169.10161	4.7
170.94208	4.3
171.10144	20.1
171.11548	8.9
173.11772	4.5
173.13275	13.7
174.69331	4.0
177.12787	6.1
179.14278	5.8
187.13295	4.6
189.11212	45.7
191.14378	5.2
227.12704	42.0
229.14153	6.8
229.19540	7.0
245.13795	23.5
251.16736	4.0
253.18002	18.7
257.18829	20.4
275.20053	90.6
276.20074	4.6
293.21130	9.0
299.20010	4.4
349.23685	100.0
352.12790	3.9
367.11505	5.1
367.24716	45.2
391.24750	6.2
400.21442	5.6
465.22223	6.0
493.21088	6.9
511.18576	6.9
529.13098	5.1
529.35950	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	529.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05498	0.5
65.03911	0.9
67.05476	1.3
68.99785	0.5
69.03397	0.9
69.07058	0.6
70.06570	1.1
71.59360	1.0
79.05469	1.0
81.03390	0.9
81.07041	1.2
83.04958	1.5
85.02879	1.1
88.73550	0.4
89.03914	0.6
91.05464	4.5
93.07041	1.3
95.04931	1.9
95.08589	0.6
97.02870	1.6
97.06509	1.2
102.04672	4.8
103.05469	3.9
105.03357	0.6
105.07022	2.7
107.04918	0.9
107.08575	1.0
111.04434	0.9
115.05434	0.5
116.07073	1.6
117.03390	1.2
117.58736	0.5
119.04910	1.6
119.08572	1.2
121.02889	0.8
121.06503	0.6
121.10125	1.0
123.04416	1.7
126.53527	0.5
127.03898	0.7
129.05409	0.6
130.04137	2.8
131.04926	3.0
131.05737	0.5
133.06419	1.2
133.10025	0.7
137.05956	2.3
143.93642	0.4
145.02818	3.0
145.10146	0.5
146.03569	0.5
147.04379	4.9
149.06010	2.5
153.01935	0.6
157.10075	0.6
160.05132	1.0
161.02245	0.5
161.05949	4.2
162.06761	4.7
163.03853	0.7
165.01793	0.8
165.05469	1.7
175.14798	1.6
177.01779	1.6
177.05444	7.5
178.06133	0.9
183.02872	1.3
191.03377	1.8
191.08502	1.1
193.05014	2.4
195.02904	0.9
201.05452	1.3
203.03316	1.0
213.05452	3.4
215.07108	0.5
217.06628	0.5
219.02908	2.8
219.08089	1.5
221.04413	1.2
231.02899	1.0
231.06520	1.1
234.06662	1.0
235.07434	1.0
236.06657	0.7
249.09052	0.9
251.07068	0.8
261.03983	0.8
261.08911	0.5
263.06952	1.2
267.06375	0.6
277.08469	0.9
279.09732	0.6
281.04883	0.4
281.08014	2.0
291.06497	0.8
292.07071	0.5
295.06088	1.1
295.09677	1.3
297.07431	1.5
298.04706	4.3
305.07916	2.5
307.09409	0.9
309.04141	0.8
309.07385	2.5
310.04645	1.3
313.06958	8.4
319.05759	0.5
323.05499	1.2
323.09006	9.5
323.12735	0.7
324.05975	0.9
325.07022	3.0
325.10498	0.8
333.07562	0.8
334.08328	2.5
335.09308	1.0
337.06979	6.6
337.10690	5.1
338.07520	1.3
339.12183	0.9
349.10666	3.6
351.08368	0.5
352.09375	9.0
367.11713	100.0
368.12012	2.1
409.12784	0.7
447.82611	0.5
451.13763	2.8
463.13641	0.7
471.99316	0.5
497.14359	21.6
498.14908	0.6
529.16193	2.2
529.23761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61104	0.9
53.03929	6.0
55.01864	6.5
57.03423	7.2
60.04528	1.5
61.02916	7.7
67.05481	1.2
68.04995	0.8
68.99774	2.3
69.03416	42.4
70.06583	5.6
70.31729	0.9
71.04971	6.2
71.63418	1.8
73.02899	7.7
81.03404	26.3
83.04977	1.2
84.08133	1.8
85.02888	100.0
86.09705	1.9
87.00814	48.0
87.04459	6.3
87.06856	0.9
87.45510	0.9
91.03938	2.2
95.04948	1.9
97.02874	50.1
99.04436	13.3
105.01847	85.7
108.43591	0.9
109.02861	33.9
113.05999	3.0
115.03918	5.1
116.07104	1.4
117.01817	2.7
119.04915	2.9
127.03892	94.6
128.04262	1.4
129.01833	3.6
131.07001	7.2
133.04965	3.1
134.99600	1.0
136.62378	0.8
137.05923	6.0
145.04930	42.5
147.02905	2.9
149.06024	1.0
150.07608	4.9
151.07520	1.7
159.02866	14.7
167.07045	1.9
177.04022	1.4
177.05420	1.4
179.07077	1.4
181.08543	2.8
189.03918	2.9
199.52924	0.9
213.03886	9.2
213.12361	3.3
231.04959	49.2
249.06009	21.0
249.08456	1.8
255.11150	0.9
280.07874	0.9
343.10083	1.4
361.11124	3.4
424.56165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90248	1.6
65.03932	8.0
67.05484	4.8
69.03433	3.4
70.02919	2.5
70.06582	5.5
70.89160	6.4
71.07410	2.2
72.04500	2.4
79.05472	2.3
84.04519	1.8
85.06557	1.8
86.09687	2.3
88.07623	3.1
89.03900	4.5
90.05539	22.7
91.05466	2.8
93.03405	9.1
93.07124	1.9
95.04997	3.7
96.08114	2.1
97.02881	100.0
97.06528	3.5
98.02393	2.8
103.07569	2.3
111.04445	2.0
113.06023	2.2
114.05469	1.8
115.05431	2.0
116.03437	4.2
116.07076	6.3
117.03358	17.6
119.04906	2.7
121.02843	6.4
123.04366	1.7
124.07575	10.8
125.05972	2.8
126.09158	5.9
128.06212	2.6
129.07002	7.9
136.64108	1.5
137.05940	2.7
142.08635	2.5
143.66467	1.9
145.02824	51.0
147.04376	7.1
149.02330	11.2
149.05949	7.1
150.10860	1.6
151.03931	3.7
157.06413	10.0
167.01141	2.0
167.03398	53.2
167.04828	3.7
177.05447	94.3
184.09695	5.5
185.05878	3.8
186.05560	2.0
188.08350	3.8
189.09050	10.0
192.10167	5.9
199.07475	5.9
202.10751	12.7
207.06401	3.2
217.08392	9.1
220.11765	45.6
227.07001	3.8
245.08020	16.8
257.09143	11.4
273.07794	5.1
283.06961	4.0
285.08698	8.5
287.10223	4.9
291.08591	36.8
297.08878	2.5
299.10211	3.4
301.08145	5.1
309.09515	3.3
315.09659	2.6
327.09494	2.1
329.07712	3.3
329.11227	2.9
343.09198	2.6
348.09451	2.7
351.13242	3.0
366.10452	3.1
424.18442	3.2
438.08963	1.8
450.16660	3.5
452.18201	13.3
454.19537	4.0
468.17746	2.9
482.18866	4.4
496.16940	12.4
516.46863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23149	0.6
52.82879	0.6
53.03932	1.7
55.01865	2.6
55.05505	13.9
57.03440	3.2
57.07068	2.0
65.03931	2.1
66.31371	0.8
67.05496	29.3
69.03416	0.7
69.07060	12.2
71.04984	2.4
71.08608	0.8
79.05482	20.0
80.95264	0.6
80.95918	0.7
81.03416	7.6
81.07047	26.0
83.04966	2.3
83.08615	8.1
85.06533	1.5
89.06032	1.7
91.05467	19.3
93.07033	20.6
95.04946	4.5
95.08596	16.9
97.02877	0.9
97.06499	3.2
97.10159	5.2
105.07014	17.6
107.04943	1.1
107.08582	11.5
109.06516	1.6
109.10146	9.5
111.08089	1.8
115.05442	1.9
115.56963	0.6
117.07006	10.7
119.08562	14.9
121.10127	8.9
123.08054	1.1
123.11717	1.7
125.09637	2.3
128.06223	3.2
129.06990	12.2
130.07768	1.0
131.08548	19.6
133.06480	1.2
133.08568	0.7
133.10103	9.1
135.08058	1.7
135.10732	0.8
135.11661	5.0
139.11217	0.6
141.06911	5.1
142.07787	2.7
143.08546	17.2
144.09302	1.1
145.10109	15.5
147.08084	1.0
147.11639	5.0
149.09619	1.3
149.13246	2.3
153.07063	0.7
154.07710	1.1
155.08516	10.4
157.06487	0.8
157.10117	15.4
159.11662	13.3
161.13261	2.8
165.07077	0.8
167.08553	4.0
168.09277	1.5
169.10107	11.8
170.10786	0.9
171.11681	11.2
173.09639	0.7
173.11813	1.2
173.13243	6.6
175.11227	1.6
175.14755	2.0
178.07780	0.9
179.08629	0.9
181.10100	6.4
182.10880	0.7
183.11665	11.5
185.13225	8.6
187.14827	2.6
189.11263	1.4
193.10350	1.2
193.12253	3.5
195.11636	5.2
197.13237	8.2
199.14812	4.4
201.12766	0.6
201.16310	0.8
207.11728	2.0
209.13234	4.8
211.14819	4.5
213.16400	2.8
221.13275	2.2
222.14195	0.7
223.14841	3.6
225.16382	2.4
227.18011	1.2
235.14819	1.4
236.15497	0.9
237.16461	2.2
239.14400	0.8
249.16499	1.0
251.17897	0.8
255.17313	0.7
257.18979	0.8
259.20639	1.0
262.36084	0.7
269.18958	0.7
277.19485	0.8
283.20673	2.1
297.22162	1.8
299.23642	0.8
300.18729	0.6
301.25095	0.8
309.22113	1.8
313.21503	1.2
315.23074	1.4
323.23734	2.1
325.21667	0.8
325.25223	1.2
327.23270	2.0
337.25034	1.7
339.23264	0.8
341.24719	1.5
349.25070	0.8
351.23175	1.0
353.24811	1.2
355.26379	0.9
361.24963	0.7
367.26337	1.0
383.24792	0.6
417.31516	5.5
435.32581	18.7
436.32834	1.3
453.33563	6.7
471.35037	3.3
473.33862	1.4
491.35092	1.9
509.36264	10.2
527.37268	100.0
528.37683	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
53.50798	0.8
55.01865	2.0
55.05503	16.7
57.03416	3.0
57.07055	1.8
65.03930	1.3
67.05496	29.2
69.03395	1.5
69.07063	8.8
69.49493	1.9
69.49900	6.4
71.04981	2.0
76.13239	0.7
76.32400	0.8
79.05485	24.5
81.03409	16.3
81.07047	26.8
83.04956	2.5
83.08615	8.9
85.06523	1.9
91.05467	21.3
93.07037	21.7
95.04967	7.5
95.08595	13.5
96.68543	0.9
97.06518	2.2
97.10163	8.3
98.20614	1.4
99.08066	1.1
105.07014	17.6
107.04935	2.5
107.08585	11.9
109.06506	2.2
109.10138	10.4
111.08061	2.3
115.05453	1.5
117.07003	7.8
118.37009	0.9
119.08570	13.2
121.06525	1.1
121.10126	8.4
123.08039	2.1
123.11699	1.1
125.09632	4.4
128.06213	2.0
129.06996	8.5
130.07684	1.5
130.23978	0.9
131.08553	14.2
133.06450	1.2
133.10100	9.4
135.08037	1.5
135.11674	6.3
141.06947	1.4
142.07736	1.8
143.08557	9.3
145.10100	13.1
147.11694	5.0
149.09605	1.3
149.13240	3.9
151.11237	0.9
155.01060	0.8
155.02333	0.8
155.08540	4.6
157.10094	9.5
159.11665	9.7
161.13248	3.4
165.12680	1.0
167.08629	1.6
168.09377	0.9
169.10115	6.1
171.11653	8.2
173.13226	7.3
175.11215	2.1
175.14822	1.2
181.10101	3.6
183.11691	6.6
185.09618	0.9
185.13255	7.1
187.14760	3.3
189.11220	2.8
190.42084	0.9
191.90555	1.0
193.12212	9.8
195.11700	2.9
197.13231	4.7
199.14777	4.0
201.16513	1.4
207.11765	1.0
209.13284	2.0
211.14784	2.2
213.16391	1.0
221.13255	1.9
223.14737	1.1
225.16246	1.0
227.18008	1.2
235.14684	1.0
237.16437	1.0
238.06409	0.8
245.18770	0.9
249.14793	1.1
259.20493	1.0
261.18439	1.1
261.22125	2.8
269.19061	1.2
275.19992	1.0
285.21982	0.9
297.21951	1.5
299.23569	1.0
301.25278	2.4
315.23126	2.4
323.23447	1.1
325.21448	1.0
335.23865	1.0
337.25250	1.0
341.24805	0.9
417.31509	3.4
425.33914	0.9
435.32581	11.9
453.33521	10.2
471.34610	6.4
481.36960	1.0
509.36108	5.8
527.37250	100.0
528.37646	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01855	1.9
55.05505	13.7
57.03428	3.5
57.04453	0.8
61.66723	0.7
65.03928	2.0
66.94727	0.8
67.05495	27.3
67.05856	1.7
69.03432	0.9
69.07060	11.2
71.04979	1.7
79.05486	20.3
81.03408	2.9
81.07045	26.4
83.04984	1.7
83.08601	7.5
85.06502	1.0
91.05469	19.9
93.07034	18.7
95.04950	3.1
95.08591	17.1
97.06513	2.8
97.10148	4.0
99.08091	1.3
103.05437	1.8
105.04457	0.9
105.07015	19.0
107.04922	1.0
107.07926	1.2
107.08588	12.6
109.06477	1.6
109.10120	9.4
111.08054	1.3
115.05442	1.4
117.07012	12.4
119.08563	14.6
121.10125	6.9
123.08067	2.1
123.11701	1.8
125.09636	1.5
126.05429	0.7
128.06218	3.1
129.06989	13.6
130.07782	1.3
131.08549	22.2
133.10118	9.9
135.08054	1.2
135.11681	3.9
135.55640	0.8
139.11279	0.9
141.06995	4.4
142.07788	2.9
143.08536	17.7
144.09360	1.2
145.10097	16.2
147.07968	0.9
147.11662	5.6
149.13252	2.8
153.07019	0.9
154.07755	1.5
155.08530	10.4
156.09328	1.9
157.10110	16.4
159.11673	12.2
161.13263	1.7
163.14728	0.8
165.06924	0.9
167.08543	5.3
169.10130	12.3
171.11681	13.0
173.13208	7.6
177.12617	1.1
179.08617	1.2
181.10153	6.4
183.11661	11.4
185.09608	0.9
185.13228	9.5
187.14821	3.6
193.10139	1.3
193.12292	0.7
195.11702	7.1
197.13245	8.1
199.14850	6.0
201.16452	1.5
207.11789	1.8
209.13268	5.0
211.14870	5.6
213.16383	2.7
219.11662	0.8
221.13261	3.3
223.14801	2.6
225.16333	3.0
233.13298	1.1
235.14699	1.6
237.16472	2.2
239.18034	1.8
249.16406	1.1
259.20483	0.9
263.50101	0.7
269.19070	1.1
281.19049	0.8
283.20602	2.1
295.20587	0.9
297.22205	1.7
307.20566	1.0
309.22070	1.7
311.23596	1.3
313.21323	0.9
315.23212	1.9
323.23691	2.0
325.21671	1.3
327.23209	1.3
335.23462	1.0
337.25150	1.1
341.24789	2.3
344.91174	0.9
349.25232	1.0
353.24701	1.2
365.24887	1.1
367.26215	0.9
375.87219	0.8
407.33493	1.3
417.31329	4.7
425.34351	0.9
435.32571	18.6
436.32663	1.1
453.33517	8.4
471.34790	3.6
473.34198	1.1
491.34985	1.6
509.36261	10.6
527.37238	100.0
528.00220	1.0
528.37103	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	527.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01857	1.6
55.05499	12.1
57.03418	3.6
57.07063	1.2
59.04964	0.9
60.47466	0.9
65.03925	1.7
66.15147	0.8
67.05144	1.3
67.05489	23.3
69.07056	10.1
69.43952	0.8
71.04955	1.0
76.39754	1.0
79.05480	16.4
81.07038	21.6
83.04958	1.8
83.08583	4.8
91.05463	16.4
93.07022	19.6
95.04953	3.0
95.08583	14.6
97.06512	2.9
97.10152	2.8
102.73169	0.9
105.07014	18.3
107.08579	11.0
109.06457	1.3
109.10142	4.7
111.08093	1.3
114.91874	0.9
117.06994	12.5
117.89246	1.0
119.08555	13.0
121.10101	5.9
123.08057	1.3
123.11746	1.3
125.09639	1.8
128.06201	4.0
129.06979	15.5
131.08539	21.0
133.10088	9.8
135.11687	4.1
141.06958	3.9
142.07721	2.3
143.08537	17.4
145.10088	14.3
147.11700	4.4
149.09586	1.6
149.13280	2.6
155.08534	11.7
157.10097	14.7
159.11678	9.7
161.13246	2.4
163.11279	1.1
167.08563	3.8
168.09256	1.1
169.10104	13.4
171.08080	1.0
171.11656	13.8
173.13203	5.7
178.07890	1.1
181.10086	5.7
183.11652	10.9
185.13211	8.6
187.14778	1.7
193.10129	1.8
195.11711	5.5
197.13205	8.3
199.11148	1.1
199.14807	7.2
201.16417	1.2
207.11659	1.1
209.13216	3.0
211.14758	5.1
213.16377	2.9
221.13217	2.4
223.14813	3.2
225.16417	2.3
227.17899	1.2
227.21486	1.2
234.45305	1.1
235.14745	2.3
237.16287	2.1
239.14156	1.1
249.16261	1.2
259.20508	1.6
263.17856	2.0
265.19571	1.0
267.17377	1.2
283.20496	1.5
297.21942	1.6
302.03848	1.1
311.23688	2.7
323.23889	2.6
337.25281	1.5
339.23138	1.3
341.24747	1.6
349.25153	1.3
355.26196	1.2
417.31650	6.5
435.32513	19.6
453.33734	8.4
459.18225	1.2
471.34647	2.4
491.35010	1.2
509.36093	12.3
527.37219	100.0
528.37585	6.1
548.08698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01868	2.8
55.05504	12.3
57.03419	3.1
57.07068	3.4
65.03935	1.0
66.61153	0.6
67.05497	27.0
68.32378	0.7
69.07059	10.8
69.25449	8.2
71.04983	1.8
71.08624	1.5
79.05038	1.1
79.05482	18.8
81.03401	1.4
81.07043	25.3
83.04968	1.6
83.08611	6.5
85.06532	1.4
85.10154	1.3
87.75388	0.7
91.05470	19.7
93.07032	19.0
95.04955	3.1
95.08598	16.2
97.06524	2.6
97.10155	2.5
105.04536	1.1
105.07016	18.9
107.08587	10.2
108.75671	0.6
109.06522	1.7
109.10147	7.7
111.08057	1.7
115.05463	1.5
117.06995	12.1
117.19756	0.7
118.63213	0.7
119.08554	13.7
121.06452	1.2
121.10128	7.7
123.08064	1.4
123.11701	1.3
125.09641	1.2
128.06241	3.8
129.06976	13.0
131.08556	16.6
133.10106	12.8
133.11041	1.0
135.08044	1.3
135.11710	2.8
137.09662	0.7
139.11073	0.8
141.06982	4.8
142.07768	3.0
143.08536	16.3
145.10109	13.6
147.11690	5.2
149.09584	1.2
149.13278	2.7
151.11159	2.8
153.06975	0.9
154.07767	1.4
155.08527	11.5
156.09302	1.4
157.10110	15.5
158.10539	1.1
159.08101	0.8
159.11674	12.2
161.09644	2.0
161.13243	2.2
165.06993	1.0
167.08533	4.2
169.10083	11.9
169.12238	0.8
171.11664	11.2
173.11864	1.0
173.13228	6.4
175.11183	0.8
175.14937	0.7
179.08546	1.4
179.10629	1.1
180.09351	0.8
181.10121	4.7
183.11687	11.3
185.13240	8.8
187.14854	3.1
192.09470	0.9
193.10193	1.2
195.11649	5.5
197.11644	1.2
197.13251	9.0
199.14815	5.8
201.16478	1.5
207.11638	1.8
209.13226	4.4
211.14838	3.8
213.16414	2.1
215.12762	2.3
221.13219	1.9
223.14841	4.2
225.16353	2.3
227.18024	1.0
235.14818	1.8
237.16388	1.7
239.18066	1.0
241.19632	0.8
249.16353	0.9
251.18019	1.0
253.14259	1.0
259.20578	1.1
269.19086	1.1
269.22626	0.8
271.15387	1.9
281.19098	1.0
283.20566	2.2
295.20587	1.0
297.22137	1.9
309.22095	1.8
311.23587	1.6
313.21725	0.8
315.23267	1.1
323.23611	1.9
325.25381	1.1
335.23355	1.2
337.25436	1.0
339.23364	1.0
341.24820	1.1
349.25244	1.1
379.26221	1.0
405.26245	0.9
407.33252	1.1
417.31488	5.4
435.32556	17.2
453.33643	7.9
471.35022	4.0
473.33942	1.6
491.35220	2.3
509.36209	9.6
527.37250	100.0
528.37915	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	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
55.01867	11.9
55.05508	9.2
57.03429	40.1
57.07065	2.0
61.02917	29.4
62.05359	1.8
62.72525	1.5
65.03922	4.7
67.05494	62.7
69.03426	20.2
69.07050	7.5
71.01326	2.7
71.04974	5.4
71.66270	3.3
73.02901	15.8
79.05483	38.2
81.03401	19.2
81.07045	31.1
83.04964	4.9
83.08601	5.1
84.08120	4.6
85.02896	32.5
85.06532	27.5
91.03944	12.5
91.05467	26.7
93.07039	29.0
95.04955	87.6
95.08590	18.0
97.02884	29.0
97.06513	17.1
97.10164	2.5
99.04449	4.7
101.02364	5.8
103.03951	3.3
105.07016	23.7
107.04942	10.7
107.08575	18.9
109.02875	8.6
109.06506	73.2
109.10133	7.1
111.08070	4.5
113.05988	71.3
115.05457	1.7
117.06999	13.4
119.04924	7.2
119.08559	15.3
121.06518	7.9
121.10117	9.0
123.08044	4.5
125.05969	2.6
127.03886	12.1
128.06218	2.7
129.06970	8.7
131.04942	1.7
131.08539	19.4
133.06444	3.2
133.10123	9.4
135.08038	46.9
135.11664	6.5
136.05200	1.6
137.05948	3.2
137.09625	1.9
143.08560	10.9
145.04984	3.7
145.06480	3.6
145.10121	15.2
147.04381	25.4
147.08015	10.2
147.11662	5.6
149.09612	6.4
149.13206	4.3
157.10115	8.4
159.08017	4.6
159.11583	7.7
161.09599	9.0
163.11151	4.7
165.09082	1.9
167.08537	1.8
169.10141	3.0
171.11671	6.8
173.05959	2.1
173.09705	2.5
173.13197	3.7
175.11201	3.4
177.12761	4.5
181.10115	2.4
183.06564	2.4
183.11603	3.6
185.09624	2.1
185.13391	1.7
187.11174	4.3
188.08331	2.8
191.10509	1.7
193.12221	2.5
199.14795	5.2
205.12317	2.3
217.15848	20.6
227.17873	1.9
233.15463	2.7
237.16212	1.7
245.18895	2.5
255.17432	4.1
273.18439	56.9
291.19510	100.0
347.22131	10.1
365.23190	19.7
389.23352	2.7
398.20853	4.8
456.32941	2.1
491.20297	5.1
491.26794	2.1
503.09714	1.8
509.18155	5.0
527.20093	2.9
527.28314	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	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01863	2.1
55.05503	16.2
57.03437	4.6
57.07067	1.5
58.71935	0.9
59.04990	1.0
65.03931	1.5
65.35239	0.9
66.96642	0.8
67.05497	30.3
69.03423	1.8
69.07056	12.2
69.91335	5.2
71.04971	2.2
72.81478	0.8
79.05484	22.7
81.03418	3.0
81.07045	28.6
83.04984	2.7
83.08614	6.1
85.02834	1.0
85.06527	2.4
91.05470	19.6
93.07028	21.8
95.04946	3.6
95.08591	15.5
97.02876	1.2
97.06519	5.4
97.10128	4.4
103.05415	1.2
105.07011	18.2
107.04926	0.9
107.08588	10.0
109.06494	1.1
109.10136	9.8
111.08075	1.7
115.05445	1.2
117.06999	13.0
119.08575	15.3
121.06473	1.1
121.10136	6.4
123.08055	1.1
123.11739	1.9
125.09626	2.6
126.16512	0.9
128.06209	2.2
129.06989	14.7
130.07761	0.8
131.08557	19.4
133.10106	10.6
135.08043	1.2
135.11668	5.1
137.09618	0.9
139.11270	0.9
141.06990	3.9
142.07751	3.4
143.08553	16.0
145.10103	17.5
147.11649	5.1
149.09685	0.9
149.13258	2.4
155.08521	9.3
156.09317	1.9
157.10098	14.4
157.11334	0.6
158.10735	0.9
159.11682	12.9
161.09689	1.2
161.13196	1.9
165.07002	1.2
167.08450	4.1
169.10121	12.7
170.10947	1.2
171.11673	13.9
173.11778	1.9
173.13289	7.3
175.14897	1.3
177.16347	1.0
179.07155	1.0
179.08604	2.1
181.10092	6.4
182.10864	1.1
183.11661	11.3
184.12532	1.0
185.13251	10.1
187.14845	3.3
193.10132	2.7
194.10817	1.1
195.11703	4.6
197.13292	8.4
199.14789	5.9
207.11668	2.2
209.13199	4.1
211.14929	4.5
213.16370	2.4
221.13202	2.1
223.14825	3.9
225.16371	1.7
227.17928	1.1
235.14998	1.2
237.16267	1.0
239.17931	1.6
249.16333	2.0
251.17966	1.9
257.18939	1.3
259.20435	1.7
265.19586	1.6
267.21466	0.9
283.15634	1.1
283.20474	1.5
297.22003	1.1
309.21912	1.5
311.23679	2.4
315.23175	1.4
323.23749	1.9
325.25351	1.1
327.23138	1.3
335.23807	1.2
339.22992	1.6
351.27039	1.1
417.31573	4.9
435.32553	17.8
436.32977	1.3
453.33743	6.8
471.34741	2.6
491.34937	1.3
509.36243	9.2
527.37256	100.0
528.37811	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	527.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13292	1.2
52.40948	1.1
53.03943	2.6
55.01849	3.5
55.05511	5.6
57.03424	1.3
67.05494	10.4
69.03423	1.9
69.07055	2.5
70.26539	1.1
70.33925	4.0
70.34292	2.2
73.18149	1.2
79.05480	12.0
80.06268	1.5
81.03403	5.1
81.07042	13.2
83.04977	2.5
83.08598	1.7
91.05479	9.8
93.07028	7.3
95.04951	3.6
95.08602	5.2
97.02885	2.1
97.06521	4.9
98.21420	1.5
105.07001	7.3
107.08574	3.1
109.06515	1.7
109.10139	2.1
115.05429	1.4
117.07037	2.5
117.25391	1.0
119.04925	1.2
119.08591	4.1
120.77551	1.4
121.10102	1.5
123.04411	1.4
123.08062	1.4
128.06218	1.4
129.06956	1.8
131.08539	2.3
133.06511	1.3
133.10132	4.2
147.04407	4.8
147.11653	1.4
149.02301	6.7
150.03113	5.5
153.01802	44.4
155.08575	1.1
158.03601	1.5
159.07997	1.7
163.03889	3.7
170.02191	2.9
171.04478	1.4
172.05101	2.0
174.03136	1.3
175.11134	1.6
187.07535	3.4
193.12117	1.3
199.07433	1.2
200.04688	3.3
201.05479	1.9
203.03307	5.9
205.04886	6.7
213.05333	1.6
215.06990	1.8
216.04153	10.5
217.04951	2.8
225.09079	2.9
227.03400	4.6
228.04123	7.4
229.04936	3.4
231.02820	13.3
231.06374	2.2
240.04196	3.3
241.05046	1.2
243.06558	2.0
244.03607	6.9
245.04430	4.2
253.08546	1.9
255.02847	11.5
255.05559	1.4
256.03604	4.6
259.06000	22.3
269.04514	1.5
269.07880	1.7
271.06015	3.0
273.03912	12.5
279.06589	1.6
282.05313	1.9
284.03217	9.4
285.03860	6.6
287.05429	28.7
288.06113	1.4
295.06012	1.6
299.05466	3.1
300.02621	2.2
301.03409	41.3
301.06903	3.2
302.04156	8.1
307.06009	2.7
313.03778	1.4
313.07010	5.8
315.04913	23.0
316.05737	12.6
317.06476	18.7
323.05585	3.6
324.06165	2.4
327.04941	5.1
335.05371	2.3
337.06973	2.8
338.08221	1.4
339.08676	3.3
341.06494	3.2
351.08817	1.9
352.05728	2.5
353.06494	13.1
355.08167	1.9
362.18988	1.5
363.08612	1.3
365.06586	2.2
367.08093	5.3
379.08221	4.2
380.19919	3.9
398.20724	1.3
445.19974	1.8
463.17480	4.3
473.19858	1.6
491.16898	100.0
492.17194	3.5
509.17990	96.5
510.18723	2.6
527.19080	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56796	1.2
53.03935	5.1
55.01870	11.8
55.05510	25.2
56.96544	1.5
57.03426	10.0
57.07055	1.2
59.04983	1.8
61.02920	10.6
64.13837	1.2
65.03908	1.3
67.05499	32.4
67.14975	1.2
67.37686	1.1
69.03429	19.7
69.06694	1.6
69.07062	23.8
69.31975	4.8
69.32400	7.4
71.01351	2.9
71.04984	3.8
73.02910	6.5
79.05485	36.0
80.06272	1.7
81.03413	28.6
81.07047	34.5
83.04972	12.1
83.08616	10.6
85.02898	18.2
85.06518	1.7
87.04459	1.5
91.03951	6.4
91.05471	21.4
93.07037	25.4
95.04954	17.0
95.08591	13.7
97.02890	19.5
97.05996	0.8
97.06525	22.2
97.07119	2.0
97.10148	12.9
98.97563	2.4
99.04430	4.2
99.08071	1.2
101.02375	3.6
103.03916	2.5
103.05491	1.2
105.07015	16.7
107.04945	8.0
107.08593	15.0
109.02876	5.9
109.06500	5.4
109.10143	12.2
111.04438	3.7
111.08083	4.0
113.55941	1.0
115.03888	1.2
115.05432	1.4
116.98604	2.1
117.07005	9.3
119.04954	2.1
119.08571	12.0
121.06505	3.8
121.10143	7.1
123.04409	2.9
123.08029	5.4
123.11715	1.5
125.09612	12.0
127.03913	9.2
128.06148	2.3
129.06955	7.4
131.08540	8.2
133.06476	3.3
133.10098	8.1
135.08054	5.2
135.11681	3.2
137.05951	1.4
137.09639	3.0
141.07031	1.9
142.07776	1.4
143.08559	4.7
145.06508	1.7
145.10118	6.8
147.04410	6.8
147.08046	4.9
147.11684	4.0
149.02361	2.4
149.05959	1.4
149.09596	3.5
149.13272	1.5
150.03139	3.9
151.07549	1.9
153.01788	18.1
153.06944	1.5
153.09065	1.7
155.08542	2.3
157.06471	2.9
157.10107	4.3
159.08051	3.2
159.11678	1.5
160.05186	1.3
161.05954	1.4
161.09610	2.9
163.03923	1.6
163.11197	4.1
165.05666	1.2
165.07007	2.7
165.09099	2.4
166.07826	1.2
167.07056	1.5
167.08530	2.9
169.06491	2.7
169.10080	1.2
170.02240	1.4
171.08014	1.6
171.11713	1.8
173.04607	1.5
173.05974	3.1
173.09630	2.3
173.11758	1.5
174.03217	1.4
175.11176	4.4
176.11848	1.7
177.05423	1.6
177.12759	3.0
179.08574	2.0
181.06479	4.3
181.10095	2.1
181.12210	2.2
183.08043	3.0
185.06024	2.6
185.09557	2.4
187.07585	4.5
189.11200	9.5
193.10477	1.6
193.12268	7.6
194.07300	1.9
195.08038	5.0
195.13766	1.5
197.05989	3.2
197.09607	1.8
199.07555	3.6
199.11095	1.6
201.05519	1.9
201.07460	1.6
201.09169	7.4
203.03413	2.8
204.09361	1.2
205.04901	2.1
205.10258	1.4
207.08183	1.8
209.06056	1.9
209.09645	4.8
210.06897	1.2
211.07538	3.8
211.13202	6.0
213.08955	2.2
215.07100	1.6
216.04158	8.2
218.07324	1.4
219.08061	2.0
221.06151	1.3
221.09631	2.9
223.07536	4.6
223.11200	2.6
223.13284	14.5
225.05467	1.4
225.09100	4.4
227.03381	2.3
227.07082	3.3
227.12779	4.6
228.04140	2.8
229.04921	1.8
231.02896	4.1
233.09566	1.5
235.07529	2.7
235.11206	2.1
235.13332	1.8
237.02759	3.1
237.05333	1.6
237.09160	1.6
237.12799	1.9
238.09781	1.4
239.06940	1.8
241.04929	1.7
241.08571	1.6
244.03680	4.2
245.04449	1.7
245.13620	1.3
245.19008	1.7
247.11172	1.7
249.09004	1.6
249.14938	2.3
251.07069	2.1
251.10713	3.8
251.14507	1.9
253.08612	4.0
254.09094	1.3
255.02951	4.9
255.06555	1.9
256.03653	2.6
259.05942	8.7
259.11093	1.7
263.10641	2.7
265.12152	2.9
267.09964	1.7
269.08044	6.8
272.03214	2.0
273.03928	3.4
273.18417	13.2
274.09985	1.3
277.12326	2.2
279.06702	1.5
282.05276	1.5
284.03180	6.9
285.03937	3.3
287.05475	11.5
291.10437	1.6
291.19522	68.7
292.19849	1.5
297.07458	2.8
299.05426	2.5
301.03424	9.2
301.14447	1.6
302.04086	9.9
313.06845	6.6
315.05057	8.7
316.05783	3.8
317.06543	10.2
327.04919	6.3
333.11057	2.0
339.05057	1.7
341.06516	3.7
347.22061	3.5
353.06519	3.9
361.10480	1.5
362.18774	2.5
365.23224	18.0
375.19397	2.4
380.19778	11.1
391.13965	2.3
393.20459	16.4
398.21017	2.6
399.19574	2.1
403.18842	2.0
407.24115	1.6
417.20520	14.9
419.22122	3.4
427.18964	4.4
429.20950	1.7
435.21790	1.4
437.15915	4.6
441.12234	3.3
445.20087	21.7
455.18637	2.2
463.21280	11.2
465.15475	5.3
473.19742	10.5
481.18170	11.8
491.16464	4.5
491.21097	4.4
509.18002	100.0
510.18314	8.7
527.19098	34.1
527.28534	13.1
528.19354	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	527.1907
Annotation	Physalin Z
Peak:m/z	Relative Intensity
53.23402	0.6
55.01854	2.2
55.05505	2.9
65.03920	0.6
67.05496	9.2
68.99777	1.0
69.03412	1.4
69.07056	2.6
69.33168	6.6
71.04983	1.0
79.05483	8.8
80.06262	1.1
81.03407	5.0
81.07043	8.5
83.04962	1.7
83.08614	1.0
85.06528	1.0
91.05470	7.4
93.07040	5.9
95.04956	2.7
95.08597	3.1
97.02879	1.1
97.06517	4.0
97.10126	0.8
105.04544	0.8
105.07027	5.5
107.04921	1.2
107.08562	2.4
109.02892	0.8
109.10128	2.2
117.06998	1.0
119.04929	0.6
119.08573	1.9
121.10130	2.0
123.04391	1.3
129.06964	1.7
131.08572	2.0
133.10126	2.1
135.11673	1.2
145.10136	0.6
147.04398	1.8
147.11665	1.5
149.02350	3.6
150.03116	3.7
151.11131	0.9
153.01799	21.5
153.06949	0.6
155.08534	1.1
157.10103	1.0
159.08046	1.3
160.05099	0.6
163.03880	1.8
167.08516	1.5
169.06422	1.4
170.02081	1.3
172.05235	0.8
173.05954	1.6
174.03064	0.8
175.11169	1.6
176.12061	0.6
179.03545	0.7
179.08537	1.4
181.06462	1.5
181.10100	0.8
183.08040	1.6
185.05945	1.3
187.03845	0.7
187.07532	2.2
188.04753	0.9
188.08255	0.7
191.07071	0.7
195.08058	1.2
197.09581	1.3
199.03989	0.7
199.07516	1.6
200.04655	1.4
201.05455	1.2
201.09106	1.7
203.03372	1.4
205.04953	2.6
207.08058	1.0
209.09578	2.1
211.07449	1.4
212.08409	0.9
213.05438	0.8
215.03337	0.7
216.04160	7.2
217.04938	1.3
219.08235	0.6
223.07469	2.3
223.11136	1.1
225.05595	0.7
225.09108	2.9
227.03400	3.2
227.07027	1.7
228.04160	3.6
229.04935	2.1
231.02847	5.1
231.06505	1.7
235.07509	1.2
237.09082	1.2
238.09779	0.9
240.04109	1.4
241.04874	1.0
242.05693	0.8
243.06548	1.2
244.03709	5.0
245.04402	1.9
249.08994	1.0
249.12909	0.6
251.06935	0.8
251.10732	1.2
253.04933	0.8
253.08606	1.7
255.02910	7.9
255.06538	1.2
256.03659	1.8
257.04391	1.0
259.06012	12.0
263.10583	1.0
267.10226	0.8
268.03687	0.8
269.04385	0.9
269.08118	3.5
271.05966	2.1
273.03879	5.2
283.02341	2.1
284.03094	7.2
284.05963	0.9
285.03931	3.7
285.06827	0.7
287.05453	18.7
295.13229	0.6
297.07437	1.2
299.05441	2.9
300.02618	2.1
301.03430	16.1
301.06735	1.2
302.04187	8.7
307.06094	0.9
307.09540	0.7
309.07471	0.8
309.11319	0.9
313.06918	4.1
315.04993	11.3
315.08517	1.2
316.05676	5.0
317.06512	14.9
323.05463	1.1
323.09143	0.8
327.04938	4.9
327.08548	1.2
337.03464	0.9
337.07166	0.7
339.08682	1.5
340.05524	1.3
341.06454	2.4
342.05029	0.6
353.06476	4.4
355.08252	1.0
362.18692	0.9
367.07947	1.5
379.08154	1.0
380.19763	6.9
381.19449	0.7
393.20590	2.2
398.20636	1.2
399.19440	1.0
417.20639	3.1
419.22119	1.6
422.13513	0.6
427.19122	1.0
433.10931	0.6
437.15939	2.7
437.23441	0.7
445.20099	5.3
463.22000	3.4
465.15536	2.1
473.19827	3.5
481.18417	8.4
491.16623	13.5
509.17990	100.0
510.18262	3.5
527.19019	36.3
528.19403	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	525.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60893	4.1
53.03923	7.7
54.25732	4.3
55.05495	16.8
57.07074	8.3
61.02903	5.4
67.05479	25.3
68.07140	4.9
69.07062	34.4
70.22359	24.4
77.16200	5.7
79.05479	17.9
81.06602	9.9
81.07044	100.0
83.08600	16.7
85.02885	15.0
85.06522	31.6
89.57784	6.0
91.05476	11.2
93.07031	37.0
94.15165	5.1
95.08601	72.1
97.06500	10.5
97.10137	11.0
99.08115	24.3
105.07014	9.2
107.08594	34.4
109.10146	40.8
111.11667	6.4
119.08583	10.0
121.10135	35.4
123.11681	21.0
125.09608	5.3
127.03867	7.7
133.10066	7.0
135.11649	14.6
137.05971	6.3
137.13275	12.5
139.11107	7.6
149.13264	29.6
160.49806	4.8
161.05954	5.5
163.14786	15.7
177.05405	7.3
177.16327	25.5
189.43974	5.0
191.18025	6.2
193.26485	5.5
195.17400	19.7
203.03397	6.8
213.18488	64.5
232.98784	5.3
245.08017	12.1
254.17839	5.1
279.26752	9.9
286.54971	5.0
291.26898	21.8
297.27820	13.7
309.27774	46.7
327.28979	21.2
369.55447	5.5
405.44952	4.8
507.12323	6.5
525.13812	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	526.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10780	0.2
57.03442	0.2
61.02921	0.5
67.05459	0.2
69.03420	1.3
70.06575	0.3
70.09845	0.4
70.10259	0.7
70.37296	0.2
73.02876	0.2
78.03441	1.4
79.05489	0.3
80.05009	0.4
81.03404	0.8
83.05005	0.3
85.02906	2.4
87.04478	0.2
96.04495	0.4
97.02882	68.3
98.03252	0.5
99.04446	0.4
106.02905	4.9
109.02858	0.7
124.03940	13.4
127.03902	100.0
128.04216	1.0
145.04909	0.5
196.06032	0.3
215.46416	0.2
220.06032	15.0
221.06366	0.5
230.71214	0.2
238.07066	4.8
241.08595	0.6
256.08066	1.2
289.09119	4.9
304.05048	0.2
314.03741	0.4
386.14011	0.2
400.12381	3.8
401.12827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42125	1.4
53.24345	1.4
55.01848	1.5
55.05495	9.2
57.03425	14.5
59.04992	2.0
60.92678	1.3
61.02922	1.4
61.89087	1.3
67.05496	12.0
69.03420	41.6
69.07049	10.5
70.60356	5.4
71.04967	4.0
79.05473	7.4
81.03407	3.5
81.07043	36.5
83.04967	4.7
83.08610	10.6
85.02401	1.7
85.02897	27.2
85.06516	5.3
87.04460	20.3
91.05459	7.8
93.07030	8.9
95.08006	2.7
95.08593	50.0
95.09202	2.7
97.02882	35.5
97.06528	9.2
97.10143	6.1
98.20847	1.4
99.04451	2.5
99.08065	5.9
105.07011	13.4
107.08571	5.2
109.06535	2.5
109.10125	2.4
111.08131	1.8
113.09608	3.7
115.03925	35.9
119.08563	21.8
121.10104	7.0
123.08065	3.4
127.03947	3.5
133.04956	29.9
133.10101	13.3
135.11671	11.7
137.09575	2.1
137.13225	13.2
141.09108	1.8
145.04924	2.3
147.04404	3.0
150.07578	5.8
156.44588	1.3
161.13239	68.5
169.04947	1.9
169.51550	1.7
175.78329	1.5
179.14291	100.0
197.15340	71.4
215.16386	31.4
381.48920	1.4
435.26270	1.4
550.42694	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	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	18.1
57.03411	9.8
57.07046	13.3
64.74071	6.9
67.05499	47.6
67.05807	7.1
67.10712	7.2
69.03413	19.0
69.07056	39.9
71.05013	13.1
71.60303	15.0
71.60674	11.4
71.72678	8.0
79.05487	23.0
81.03403	19.8
81.07043	100.0
83.08589	9.4
85.02904	38.1
85.06537	17.7
91.05469	20.9
93.07035	30.7
93.37164	8.1
95.04999	9.8
95.08597	83.4
97.02880	30.7
97.06511	24.0
97.10156	12.3
99.08073	16.6
99.92522	8.4
105.06961	16.9
107.08558	47.3
109.02849	14.7
109.10138	78.4
111.11728	12.1
118.51226	8.2
119.08578	16.7
121.10123	23.8
123.04449	74.9
123.11695	35.3
124.04746	38.1
127.03923	39.7
133.10147	13.3
135.11671	23.8
137.05954	27.3
137.13240	21.6
139.03923	8.7
147.04390	17.6
147.11684	11.6
149.05995	24.2
149.13264	33.5
151.14774	8.1
159.02979	10.4
163.03880	10.2
163.14790	14.1
165.05363	10.1
167.07014	13.4
177.05429	24.6
177.16435	11.5
191.17818	10.7
217.19394	9.9
241.04863	10.0
259.09900	8.4
273.25693	27.5
279.26709	8.4
287.05496	19.8
291.26834	53.9
309.27808	41.8
315.04916	22.4
377.06363	9.3
381.98611	8.6
405.06003	44.1
453.11642	34.6
461.08801	29.0
474.05447	13.2
489.08072	19.2
507.12677	50.6
525.14014	36.1
525.22839	33.2
526.22638	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	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.3
55.01873	5.5
55.05502	22.1
57.03426	9.9
57.07061	9.2
63.59815	3.7
67.05499	39.0
69.03427	21.2
69.07060	49.7
70.06575	4.3
71.04975	7.2
71.66336	5.9
76.16326	3.7
79.05476	28.5
81.03425	21.1
81.06560	5.1
81.07043	100.0
83.08623	25.0
85.02905	28.7
85.06532	73.3
91.05477	17.6
93.07030	41.4
95.04958	6.0
95.08598	85.4
97.02885	29.5
97.06539	10.5
97.10172	12.9
99.04411	5.1
99.08079	29.2
105.07006	25.7
107.04929	4.6
107.08578	40.5
109.02859	12.8
109.10135	57.3
111.08061	8.2
111.11688	5.7
119.08572	21.1
121.10135	34.3
123.04446	9.5
123.07973	4.5
123.11693	50.8
123.12514	4.7
125.09639	11.0
127.03892	19.0
129.07021	3.7
131.08572	9.2
133.06557	4.3
133.10136	15.8
135.04343	4.0
135.11653	22.5
137.05981	11.2
137.09615	4.4
137.13243	16.0
139.11150	5.6
143.08534	4.7
145.06535	4.5
145.10092	11.2
147.04372	9.0
147.11676	13.1
149.09656	3.8
149.13248	31.7
151.07550	3.8
151.11214	4.3
153.12758	8.2
157.10075	6.1
159.11694	7.4
160.96147	3.8
161.05946	5.4
161.13245	9.2
163.14778	11.4
167.07071	6.3
173.13222	4.3
175.07455	4.6
175.14822	7.6
177.05510	14.8
177.16408	5.3
178.06216	5.2
179.06950	4.8
185.13252	6.4
189.05531	4.1
191.17920	6.4
203.03496	3.9
203.14444	4.9
205.19719	3.6
209.18979	7.0
213.18431	5.6
217.09138	3.8
223.20358	4.7
227.20026	11.4
241.19557	6.5
245.08130	5.8
247.06003	4.7
255.02902	6.2
259.20593	22.1
273.25739	7.4
274.47894	3.8
279.06720	4.5
279.26746	11.6
291.26761	27.8
292.72910	3.6
297.27942	15.1
309.27835	46.6
315.04913	21.9
327.28854	23.3
329.06549	4.7
330.07120	10.2
331.04193	6.0
333.04889	5.8
345.09583	13.8
345.30164	5.3
348.07462	6.7
349.23648	5.4
358.05539	4.3
361.09183	17.7
362.09537	16.6
363.09769	33.6
445.09418	7.6
481.24249	5.4
489.08026	5.4
492.12613	5.9
507.21606	6.9
525.22864	12.1
526.23431	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	525.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61174	1.7
53.03938	1.9
55.01856	2.4
55.05505	15.4
57.03428	4.9
60.13885	1.5
61.38198	1.7
65.03929	1.8
67.05493	25.8
69.03425	1.7
69.07060	12.5
71.63777	3.1
79.05489	15.6
81.03407	3.7
81.07047	21.4
83.04982	2.8
83.08603	7.0
85.06547	3.0
91.05466	19.6
93.07037	16.0
95.04946	2.0
95.08590	16.7
97.06532	2.3
97.10167	4.7
99.08099	1.6
105.07015	17.9
106.44634	1.5
107.08579	11.3
109.06493	3.7
109.10152	8.7
110.42005	1.6
117.06998	9.6
119.08572	11.5
121.10152	6.6
123.11730	2.2
125.09604	1.8
128.06224	5.0
129.06993	15.5
131.08562	14.2
133.10121	6.5
135.11690	2.7
141.06950	11.0
142.07756	3.8
143.08557	19.5
145.10100	11.7
147.11646	2.2
153.06987	3.1
154.07745	3.6
155.08511	16.7
156.09348	3.6
157.10123	18.5
159.11716	10.6
161.13338	1.9
165.06969	2.5
167.08612	9.1
168.09372	3.2
169.10121	19.8
171.08095	1.8
171.11694	13.1
173.13254	3.3
179.08591	6.6
180.09282	2.4
181.10118	15.0
182.10910	2.4
183.11661	22.0
185.09631	1.9
185.13251	12.2
193.10179	5.0
194.10930	2.6
195.11610	12.8
197.13211	13.1
199.14845	4.8
207.11757	5.7
209.13231	12.1
211.14774	7.4
219.11575	1.5
221.13243	7.8
223.14821	6.4
225.16331	2.2
233.13245	3.5
235.14850	5.3
237.16341	2.1
247.14810	2.5
251.18011	1.9
265.19455	2.1
281.19131	2.7
291.21457	1.5
293.18710	1.8
295.20697	2.7
309.22025	2.5
321.22189	3.6
323.23715	2.4
325.21744	2.5
326.71732	1.8
335.23941	1.8
339.23135	2.9
353.24673	2.2
405.31833	2.8
415.29913	11.5
423.32446	2.3
433.31049	26.7
451.31955	14.0
469.32953	4.9
489.33725	2.1
493.18524	2.1
507.34723	16.3
525.35718	100.0
526.36249	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	525.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.8
55.01852	1.4
55.05504	12.3
57.03431	2.8
57.07052	1.7
67.05495	26.8
69.07056	11.9
71.26778	3.3
71.27166	2.7
79.05479	21.3
79.77371	1.7
79.96246	1.4
81.03397	1.9
81.07045	30.0
83.04967	3.2
83.08619	8.2
85.06531	1.3
91.04925	1.9
91.05472	24.6
93.07030	20.3
95.04955	3.4
95.08600	18.5
97.06522	2.8
97.10126	1.4
105.07011	22.7
105.94799	1.5
107.04976	1.6
107.08583	10.1
109.10166	7.0
110.27460	1.4
115.05431	2.1
117.07000	10.5
119.08562	14.3
121.10129	6.4
125.09567	2.2
126.86056	1.3
128.06236	2.7
129.06987	14.7
131.08543	15.5
133.10127	13.8
135.11684	3.9
141.06940	8.8
142.07765	4.8
143.08548	15.7
145.10132	14.1
147.11700	5.9
149.02257	1.5
149.13239	1.8
154.07751	1.6
155.08545	15.5
155.28773	1.5
156.09274	2.7
157.10086	15.5
159.11656	11.3
161.13280	2.4
162.68547	1.5
165.07021	2.6
167.08623	8.0
168.09335	4.1
169.10117	18.6
171.11661	12.9
173.13231	5.1
175.11234	1.7
179.08633	3.6
180.09311	1.7
181.10083	13.5
183.11676	18.6
185.09677	2.0
185.13216	10.3
187.14899	2.8
193.10153	6.1
195.11700	14.3
197.13254	11.9
199.14848	5.4
201.12724	1.8
205.10197	2.3
207.11671	7.2
209.13167	10.2
211.14865	7.4
213.16467	2.9
219.11635	1.6
221.13252	6.6
223.14839	6.3
225.16296	2.2
231.11777	1.5
233.13240	2.5
235.14742	3.7
237.16415	4.8
239.17963	2.4
241.19708	1.7
249.16438	3.8
257.18848	1.6
259.20596	2.4
263.18030	2.1
279.17331	2.1
281.18896	1.5
293.18930	1.5
295.20538	1.7
303.21118	1.7
307.20215	1.7
309.22043	1.6
321.22162	2.4
325.21695	2.0
335.23712	4.7
339.23169	2.6
349.25311	1.8
351.23282	1.7
353.24771	3.1
363.23050	1.9
415.29919	6.6
433.30994	21.6
451.32068	13.7
469.33102	3.9
489.33215	3.2
507.34698	10.6
525.35730	100.0
526.35999	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	525.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05507	8.7
57.07064	2.5
62.97227	1.7
67.05505	10.8
69.03439	9.6
69.03748	1.7
69.07052	7.5
70.65924	5.4
71.04972	3.7
79.05478	14.6
81.03413	9.0
81.07046	23.2
83.04962	12.5
83.08585	5.6
85.02879	9.5
85.06522	4.3
87.00846	2.0
91.05466	8.6
93.07042	23.3
95.04947	4.5
95.08604	14.6
97.02913	2.9
97.06506	7.1
99.04424	3.8
105.01820	2.1
105.02541	1.8
105.07013	18.2
107.04951	5.4
107.08590	17.8
107.09306	2.8
109.02838	3.7
109.06497	6.5
109.10133	20.5
109.92756	1.9
111.08083	2.7
113.09650	6.0
119.08573	31.7
121.06509	5.8
121.10138	25.5
122.07301	3.3
123.08067	3.9
123.11697	8.8
125.09612	5.9
127.03894	5.4
131.08557	5.2
133.10117	53.2
135.08037	2.8
135.11652	11.0
137.09604	27.8
139.11176	5.8
142.07733	2.0
143.08546	2.3
145.04974	1.8
145.10120	5.4
147.08015	4.7
147.11670	7.7
149.09641	6.7
149.13234	4.0
151.11183	13.1
157.10132	5.8
159.11674	3.6
161.09604	6.8
161.13246	5.9
163.11188	2.1
165.12791	2.2
171.11725	2.6
173.13307	2.2
175.11165	3.2
175.14798	26.1
185.13258	3.8
189.12778	3.1
189.16417	1.9
191.14259	2.5
193.15891	3.6
199.14662	2.0
201.16377	5.7
203.14273	9.1
217.15871	4.4
217.19542	2.7
232.29648	2.1
232.49513	1.9
241.19553	3.4
259.20535	33.0
277.21591	100.0
278.22113	3.1
289.21805	1.7
345.09943	2.6
367.23105	2.3
531.59381	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	525.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11163	1.0
54.68226	0.9
56.96558	5.3
63.10128	1.1
70.71487	2.3
70.71878	2.5
71.95263	1.2
78.51899	1.0
84.24132	1.0
87.09029	1.0
91.69241	1.0
94.41993	1.2
96.78690	1.1
98.97565	47.8
116.98606	50.8
121.61216	0.9
134.99634	36.5
140.00171	3.0
153.00708	4.1
158.01244	2.0
171.26453	1.1
174.15327	0.9
192.98605	1.5
216.98749	2.1
219.01993	1.6
232.96538	1.4
235.00006	8.3
235.52208	1.0
235.99977	1.4
240.98663	8.0
241.99069	1.1
250.97766	1.4
253.00998	1.2
258.99780	69.2
260.00168	5.2
260.99948	2.9
261.03055	3.8
262.07181	0.9
264.98669	1.2
274.97653	8.1
275.97806	2.0
276.97894	3.7
277.00812	95.3
277.98163	1.3
278.00940	5.0
279.00882	1.6
282.01193	2.6
282.99951	20.1
284.00061	3.3
284.99911	3.1
292.98840	4.3
293.99219	1.1
298.97861	4.4
299.98019	2.6
300.02350	4.2
301.01004	34.3
302.01193	4.8
303.00916	3.8
316.98926	10.5
317.99072	3.0
318.98834	2.4
319.02094	1.8
324.02826	1.3
334.99945	2.5
356.96860	1.3
358.99969	12.9
360.00284	2.4
360.99893	1.7
364.99210	4.2
376.97543	2.4
382.99896	18.9
384.00012	2.5
401.01025	100.0
402.01169	10.5
403.01050	4.2
416.98914	2.2
419.02283	11.7
424.02689	9.0
425.02045	1.5
440.99063	1.8
441.99982	1.4
443.02087	4.3
444.02399	2.5
445.02249	1.3
458.99951	2.2
483.03995	7.6
507.00214	3.9
525.01117	55.7
526.01660	5.8
543.00073	5.1
548.02472	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	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.36363	0.5
55.05507	1.1
56.05025	1.5
57.03422	0.8
57.07064	3.2
58.06594	1.1
58.67113	0.5
60.08156	17.0
65.30311	0.6
67.05492	1.4
69.07028	0.7
70.92690	1.1
71.07367	6.7
71.08620	2.2
73.22388	0.5
79.05477	0.9
81.03398	1.1
81.07026	1.5
83.08604	1.1
85.02865	0.7
85.10159	1.1
86.09696	46.5
91.05450	0.5
93.07004	0.5
95.04904	0.6
95.08597	1.4
98.98466	3.6
104.10730	100.0
109.10109	1.0
119.78519	0.4
121.85179	0.5
124.99991	27.8
135.25676	0.5
142.38815	0.5
163.01543	0.9
184.07324	95.6
185.07707	0.8
193.12259	0.6
194.12486	0.7
258.11014	1.2
285.76889	0.5
314.27716	0.8
341.30411	1.6
506.35916	8.5
524.36993	28.7
525.37299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.3
62.06083	100.0
67.05491	7.4
69.42091	1.9
70.06575	3.3
70.29343	6.7
70.29749	3.5
71.04999	2.6
79.05486	6.2
81.07036	7.6
83.08607	2.6
83.90697	1.7
91.05474	2.9
91.09669	1.8
93.07036	2.4
95.08585	5.0
97.02862	1.6
105.07056	2.1
107.08575	3.6
129.06966	2.1
137.02379	1.9
137.05975	1.9
141.06970	2.5
145.06470	4.1
147.04416	2.0
148.05153	4.0
151.03906	4.7
152.06084	2.5
153.07014	3.7
154.91205	1.8
155.08533	3.7
157.06444	2.7
161.06026	4.1
162.06714	2.9
165.07022	6.9
167.08566	6.5
169.06512	7.1
171.08029	2.0
172.03491	1.6
172.05128	4.2
173.05949	22.6
173.56638	1.8
174.06699	5.0
175.07542	9.1
176.16461	1.5
177.05452	5.5
181.06451	10.0
183.08066	7.9
185.05969	4.5
186.06740	3.5
187.07562	4.6
188.08191	3.2
191.08560	1.7
192.07736	6.8
192.09325	1.9
193.06453	5.2
195.08049	14.3
197.05846	9.2
198.06700	3.2
199.07521	12.6
200.08163	2.3
201.09099	7.9
203.06963	2.2
207.08063	3.1
209.05992	5.9
209.09563	2.1
210.06636	3.1
211.07500	17.0
212.08401	2.7
213.05479	4.6
213.09048	19.5
214.09888	2.6
215.07054	2.5
215.10617	1.7
219.07983	3.5
221.05980	3.1
223.07504	7.2
225.05356	4.2
225.09012	4.1
227.07072	2.9
227.10651	2.9
235.07521	3.4
237.05447	6.9
237.09167	5.5
239.06993	15.1
241.04898	5.3
241.08633	2.4
246.57649	1.7
247.07573	2.3
251.07065	5.6
253.08548	3.8
255.06468	5.2
256.14569	17.5
257.08063	2.9
258.16052	4.2
259.05905	3.3
263.06912	2.1
265.04947	3.2
266.13019	14.2
267.06537	18.4
268.14523	5.1
276.12265	7.6
279.06491	8.3
281.07974	2.4
283.05972	54.6
283.13113	3.1
284.14008	28.6
285.07541	12.1
286.15594	14.1
302.15054	8.6
305.15308	3.5
321.14804	5.5
323.16345	10.0
331.13000	3.8
333.14807	6.8
349.14279	8.9
351.15887	21.9
359.12686	5.6
361.14127	8.1
367.15521	8.6
369.17053	4.5
377.13794	48.2
379.15329	68.2
380.15665	2.3
395.14801	42.2
397.16431	45.2
413.15921	26.0
415.17221	6.1
431.17078	3.5
447.60297	2.0
524.24719	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	524.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88215	1.6
55.05506	4.5
56.54335	1.5
56.60224	1.5
62.06079	100.0
67.05484	3.4
69.30525	18.0
69.30943	4.0
79.05492	6.5
81.07043	8.9
91.05457	3.1
92.14999	1.7
93.07038	3.0
95.08590	4.9
97.02876	3.2
97.06526	2.3
102.01752	1.5
107.08590	2.8
109.10114	2.7
123.08044	2.2
127.52811	1.6
136.05043	4.6
137.05972	5.4
141.06966	4.0
145.06493	2.4
148.05159	2.7
152.06216	1.9
153.07007	2.8
154.06104	5.7
155.08559	4.9
157.06421	1.7
160.05132	2.9
165.06931	7.9
167.07202	2.0
167.08563	5.4
168.05725	1.9
169.06493	5.7
172.05139	3.8
173.05975	22.8
174.06709	3.0
175.07500	3.6
177.05450	4.9
180.05750	1.7
181.06441	12.1
183.08043	7.3
185.05930	4.1
186.06769	5.4
186.84142	1.7
187.07475	4.9
188.08301	1.8
192.07773	5.9
193.06506	5.3
194.60483	1.7
195.07974	12.6
197.05933	5.9
198.06792	3.2
199.07533	14.0
200.08340	3.0
201.09087	3.6
209.05975	6.8
210.06696	5.5
211.07538	20.6
213.05597	4.0
213.09071	17.2
214.09703	2.4
214.17053	2.1
219.07977	3.5
221.05884	3.6
223.07533	8.0
224.07965	1.7
225.05467	4.9
225.09090	4.3
227.07051	3.4
235.07507	3.0
237.05482	7.6
237.09045	3.4
238.06085	2.4
239.06972	14.6
241.04987	6.8
247.07623	4.1
249.09218	1.8
251.07022	5.1
251.10930	2.1
253.05199	1.8
253.08591	2.4
255.06479	4.5
256.14542	21.1
258.16241	2.4
261.08975	2.1
265.04858	3.9
265.08676	2.3
266.12909	15.3
267.06424	17.3
271.06046	2.0
273.80820	1.8
279.06552	5.3
283.05954	63.8
283.12994	2.9
284.14066	34.6
285.07590	7.8
286.15582	7.0
292.89993	1.7
293.08078	1.8
301.14423	2.0
302.15018	8.5
303.13864	4.5
305.15204	2.3
316.11411	2.1
321.14929	6.9
323.16418	4.9
331.13245	4.7
333.14771	4.7
346.09628	1.9
349.14252	17.4
351.15701	13.6
359.12573	7.4
360.11636	3.0
362.12152	5.0
367.15292	12.1
377.13766	50.7
379.15381	25.0
395.14835	40.7
397.16434	18.6
413.15903	23.5
417.85455	2.1
481.61807	2.2
506.11462	5.0
506.88351	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	524.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39714	3.7
55.05499	13.8
57.03421	15.0
57.07065	9.5
67.05499	100.0
69.07061	13.2
69.24410	48.9
71.08625	6.1
73.91327	3.6
77.10828	4.1
79.05491	25.9
81.03405	10.9
81.07048	37.5
83.08611	12.7
91.05487	18.3
93.07034	23.8
95.04917	4.3
95.08598	37.8
98.20651	8.5
105.07018	6.0
107.08607	10.0
109.10151	66.2
109.10815	7.3
119.08566	12.8
121.10135	13.9
132.11108	4.2
133.10083	6.1
135.11678	6.8
137.06032	3.8
137.09622	5.1
145.91542	4.0
155.10675	4.3
173.11765	16.1
229.14357	58.6
253.51355	4.5
261.22159	9.7
268.16150	4.4
268.79980	4.1
296.77524	4.0
335.25784	67.9
372.61218	4.2
443.35153	8.9
489.35788	33.9
524.40045	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	22.3
57.03426	15.9
57.07066	66.1
67.05495	56.0
69.07071	24.2
70.05016	13.0
70.05424	9.9
71.08623	40.3
79.05452	25.9
81.03403	42.9
81.07045	100.0
83.04963	9.9
83.08603	20.7
85.06535	5.4
85.10159	22.1
91.05470	35.9
93.07030	17.1
95.04941	13.2
95.08601	53.4
97.06509	8.6
97.10177	9.4
105.07007	40.5
107.08564	11.2
109.06599	5.8
109.10172	23.9
111.08020	5.9
117.37773	5.0
119.08556	28.4
121.10107	24.2
123.11699	32.0
125.10653	4.1
129.06998	6.5
131.08594	5.8
137.13277	7.2
143.46771	5.0
147.11662	60.9
157.10101	6.5
165.12738	29.4
166.68979	4.6
189.29500	4.9
193.12207	19.8
211.13280	6.9
229.14377	8.2
239.23705	10.2
256.29138	5.8
256.73108	4.6
267.15875	78.3
313.27383	34.5
505.38681	16.9
523.39880	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58076	4.4
53.27758	4.9
55.01879	5.3
55.05501	18.3
57.03427	24.7
57.07064	46.2
67.05500	41.2
69.07052	12.1
69.23949	56.9
69.24358	11.2
71.08624	27.2
79.05492	27.7
81.03403	100.0
81.03824	8.1
81.07050	44.7
83.04986	5.5
83.08604	38.5
85.10160	24.2
91.05474	28.5
91.51801	5.1
93.07041	23.2
95.04953	25.4
95.08601	30.1
97.02893	5.8
97.10165	7.9
104.10746	8.3
105.07044	14.5
107.04957	5.4
107.08590	8.8
109.06499	6.4
109.10181	16.3
119.08601	19.6
121.10132	11.9
129.06990	10.4
131.08568	10.8
133.10094	6.8
147.11638	6.9
157.10156	12.6
172.95210	5.2
175.11299	7.1
184.07420	7.7
193.12225	58.8
211.13237	12.2
221.07991	5.8
239.23718	8.6
267.15845	92.4
267.18463	7.3
298.87933	6.7
313.27325	96.4
341.13223	5.2
361.09262	7.2
385.16473	12.9
403.17813	7.1
455.90796	6.4
505.38800	47.2
523.39886	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	524.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84091	0.5
69.03417	1.2
69.54961	4.8
78.29862	0.5
79.05507	0.6
80.04998	1.8
87.04473	2.7
91.05448	0.8
94.06554	1.4
95.08597	0.6
96.08118	0.7
98.20667	0.8
106.06551	0.6
107.04942	0.8
108.08099	0.8
109.08913	1.3
116.33788	0.6
120.08150	0.6
134.09579	0.8
135.04439	0.7
136.07509	0.9
148.07567	1.8
149.02325	0.6
149.05991	1.6
150.09103	0.8
151.07521	1.3
157.84201	0.6
162.09111	1.1
163.03920	1.0
163.09976	0.5
164.10695	7.6
166.08577	1.6
167.07037	1.0
174.09195	0.7
176.04681	0.7
176.10713	2.0
177.01833	0.8
177.05428	2.6
178.06235	1.7
179.07126	1.0
181.08578	1.1
181.11043	0.6
188.10686	2.8
189.11403	0.8
190.08670	2.5
191.03380	1.4
191.06969	1.7
193.05110	0.5
193.15074	0.5
195.06552	1.5
198.09259	0.6
199.03809	0.5
200.06941	0.7
200.10672	0.6
203.57082	0.6
205.04950	5.6
214.08507	1.0
216.10175	1.6
228.10152	0.7
240.10245	1.0
242.08212	0.7
256.09735	0.9
266.11728	0.8
268.09677	0.6
269.04330	0.7
269.10519	1.7
270.08099	1.2
270.11279	3.1
270.43277	0.6
284.06799	1.2
284.09207	2.9
285.09991	2.3
286.10693	4.4
296.09140	0.6
298.10745	0.9
300.06042	0.7
312.05920	7.0
313.09592	0.8
315.08542	0.8
341.06769	0.7
343.08127	1.3
344.08658	1.1
345.09473	1.0
355.08237	0.8
357.09708	0.8
362.10013	1.3
365.06396	1.4
370.10559	0.7
375.08405	0.7
387.11981	0.6
390.09952	0.8
391.07996	1.1
402.13684	2.6
415.10190	1.0
418.09488	0.6
420.14600	0.9
421.12766	0.8
430.13068	3.7
434.12292	2.3
438.15457	1.2
440.11206	1.0
443.09702	1.0
444.10593	0.8
445.15427	1.3
448.14407	3.4
456.14676	1.1
458.12311	8.4
459.13275	1.0
460.13474	1.0
462.11462	0.8
472.13785	0.9
473.14893	4.5
474.15298	2.4
476.13361	13.5
478.14679	0.8
491.15753	1.2
494.14264	0.9
506.18048	81.8
507.18518	2.3
524.19122	100.0
525.19269	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.0
53.03939	1.5
55.01862	2.4
55.05504	14.0
57.03435	6.7
57.07068	37.9
65.03935	1.8
67.05494	26.0
69.03419	1.9
69.07060	9.7
69.43723	7.9
71.04977	4.2
71.08621	29.9
79.05484	15.3
81.03409	38.5
81.07047	34.9
83.04954	7.1
83.08608	21.9
85.02899	23.2
85.06526	1.9
85.10167	18.9
91.05468	17.3
91.05992	1.7
93.07033	13.3
95.04953	18.5
95.08590	32.8
96.05373	1.1
97.02859	1.4
97.06530	2.1
97.10175	7.0
99.11681	1.2
104.47784	1.0
105.07018	17.3
107.04942	3.0
107.08534	5.2
109.06525	2.0
109.10145	13.4
111.04426	1.2
111.08038	5.8
113.05981	1.5
115.05452	0.9
117.07063	1.7
119.08564	12.1
121.10143	6.7
123.08067	1.4
123.11683	6.2
129.06996	6.2
131.08530	7.7
133.06474	2.1
133.10095	4.9
137.13243	1.5
142.07776	1.3
147.08054	1.2
147.11687	11.0
149.09621	4.2
155.08572	0.9
157.10121	10.7
165.12775	2.3
175.11192	11.3
193.12218	42.9
211.13266	51.0
221.22659	1.2
239.23668	6.7
267.15906	8.3
267.18585	1.2
306.61868	1.1
313.27301	12.7
361.09103	1.0
385.16766	1.7
403.17606	1.1
411.83740	1.3
473.14743	1.1
505.38708	5.3
523.39893	100.0
524.40100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
54.42550	5.0
55.05499	24.3
57.03411	16.3
57.07068	60.5
59.19830	4.8
61.94881	5.3
62.63247	4.1
66.27612	4.9
67.05488	45.9
69.07043	15.3
71.08619	35.5
71.57217	7.3
79.05476	19.7
81.03404	100.0
81.07044	43.9
83.04973	5.7
83.08615	33.4
85.02882	14.6
85.10156	18.4
86.09663	5.7
91.05463	24.4
93.07012	20.4
95.04962	23.3
95.08601	39.4
97.02882	5.0
97.06496	5.1
97.10125	7.8
104.10726	11.7
105.07019	17.2
107.04910	9.1
107.08535	9.0
109.06499	5.8
109.10149	19.7
111.08038	7.6
119.08559	22.2
121.10153	7.7
129.06987	16.6
131.08505	9.5
133.10088	9.4
145.10143	8.0
147.11646	10.8
149.09604	6.2
157.10109	15.9
169.10080	5.8
175.11192	10.9
179.14273	6.7
183.11598	9.1
184.07355	9.1
192.34258	5.5
193.12218	66.1
211.13222	22.8
229.14212	5.7
239.23628	10.3
267.15833	54.6
313.27353	71.6
321.79529	5.2
410.76541	4.6
505.39087	42.6
523.39868	71.1
536.92377	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47028	4.4
53.03933	6.6
55.05502	18.6
57.03426	27.0
57.07065	66.4
60.08147	5.1
66.73408	5.0
67.05492	50.7
69.07063	17.5
69.64821	32.0
71.04993	7.8
71.07375	5.3
71.08624	48.3
75.05047	4.5
79.05477	25.9
81.03407	100.0
81.07050	57.0
82.79158	5.5
83.04964	7.3
83.08615	38.6
85.02895	12.9
85.10172	21.5
86.09693	17.2
91.05459	28.3
93.07039	15.6
95.04955	30.4
95.08580	38.8
97.06473	6.3
97.10162	10.9
104.10726	31.2
105.06985	22.9
107.04932	7.2
107.08558	11.6
109.06467	5.3
109.10135	27.7
111.08059	13.4
119.08570	22.0
121.10164	9.4
123.11687	5.6
125.00014	11.2
129.06992	15.5
131.08560	15.7
133.06500	6.0
133.10107	13.7
147.11694	14.8
149.09554	6.2
149.29243	4.9
149.72087	5.4
150.74377	4.8
157.10149	14.1
165.12836	5.9
169.10063	4.7
175.11116	14.7
184.07364	31.3
193.12216	83.7
211.13258	33.8
239.23672	11.6
267.15857	92.9
313.27347	91.8
336.86877	5.9
344.67383	4.7
504.18814	5.4
505.38879	58.0
514.56726	6.3
523.39691	67.0
524.36829	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05507	12.9
57.03440	10.1
57.07072	37.5
62.03663	1.8
67.05499	30.0
69.07053	12.3
71.04990	4.3
71.08627	24.5
71.58445	2.7
71.58836	2.4
78.80487	1.6
79.05494	12.2
81.03411	40.6
81.07047	31.8
83.04977	10.1
83.08617	23.7
85.02900	20.3
85.10181	17.2
91.05465	23.6
93.07027	11.8
95.04961	15.3
95.08604	28.4
97.02859	2.1
97.10149	7.3
100.57459	1.8
105.07009	15.2
107.04998	3.9
107.08575	5.8
109.06533	2.0
109.10144	15.0
111.08072	6.8
119.08592	14.1
121.10135	8.2
121.58618	1.8
123.11695	4.9
125.09639	1.8
129.07010	5.1
131.08559	8.7
133.10123	7.8
137.09607	2.3
137.13235	2.4
142.07840	1.9
147.08107	2.5
147.11687	11.2
149.09612	3.4
157.10101	10.0
165.12698	3.6
175.11148	11.0
193.12218	48.3
211.13280	41.9
239.23726	7.3
267.15872	14.2
313.27457	10.0
407.30658	1.9
505.38626	6.2
523.39893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24859	4.8
55.05502	16.7
57.03426	17.3
57.07074	59.1
67.05490	32.5
69.07054	12.0
71.08618	40.7
71.39263	8.3
79.05486	17.0
81.03410	90.3
81.07045	43.1
83.04962	7.2
83.08607	38.5
85.02876	5.0
85.10175	18.4
91.05486	22.2
93.07040	20.6
95.04941	29.0
95.08578	34.1
97.10183	12.8
105.07021	16.2
107.04948	8.9
107.08595	8.9
109.10165	16.5
111.08086	7.0
119.08578	14.2
121.10115	6.5
123.11698	7.1
125.40423	4.7
129.06998	10.6
131.08560	14.3
133.10104	8.9
147.11664	8.7
151.11121	5.0
157.10129	8.9
175.11215	9.3
193.12242	63.7
211.01224	5.1
211.13281	20.0
239.23732	14.3
255.08919	5.3
267.15875	100.0
283.29941	5.3
313.27316	95.6
318.31589	6.1
376.35687	4.8
505.38705	55.9
523.39655	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05507	14.4
57.07066	49.8
58.81514	2.0
58.85695	2.1
61.81819	2.3
67.05495	37.0
69.07065	26.0
71.04994	2.4
71.08624	36.2
71.60606	3.9
79.05478	20.6
81.07045	100.0
83.04971	4.2
83.08611	22.8
85.06530	5.8
85.10168	19.3
88.42413	2.3
91.05477	23.2
93.07040	10.5
95.04943	4.1
95.08595	41.5
97.06516	7.7
97.10165	7.0
100.44817	2.4
105.07004	32.3
107.08604	11.5
109.06497	3.5
109.10134	15.4
111.11745	3.2
119.08568	24.8
121.10126	23.3
123.08081	6.9
123.11687	37.2
137.13228	3.2
145.10179	2.4
147.11667	69.1
165.12712	34.7
183.13808	5.6
193.12291	4.6
211.13344	5.0
229.14320	5.1
239.23738	9.4
267.15900	44.5
487.78033	3.0
505.38739	2.9
523.39917	96.3
524.40747	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
54.38716	0.9
55.01859	1.9
55.05502	14.5
57.03426	5.2
57.07067	47.6
57.21734	1.2
61.84372	1.3
63.73560	0.8
63.86907	1.1
65.03931	1.2
67.05492	25.7
69.03429	2.6
69.07061	13.0
69.81975	6.3
71.04987	3.5
71.08622	27.6
79.05486	14.4
81.03406	42.1
81.06558	1.6
81.07042	32.6
83.04964	6.3
83.08605	27.3
85.02894	22.2
85.10168	13.6
91.05471	19.3
92.01566	1.0
93.07026	10.2
95.04955	17.4
95.08018	2.1
95.08592	28.9
96.11710	1.0
97.02860	2.3
97.06496	1.7
97.10152	8.2
98.21416	1.6
99.11764	1.6
105.07012	15.0
107.04945	3.8
107.08589	5.1
107.09190	1.0
109.06516	2.1
109.10139	14.6
109.40157	1.0
109.73425	1.1
110.34236	1.1
111.08055	9.0
111.11690	1.3
113.05968	2.7
119.08569	12.6
120.79240	1.0
121.10120	6.4
123.08057	1.0
123.11697	5.7
125.13220	1.0
129.07004	6.1
131.08537	6.8
133.06461	1.3
133.10115	4.6
137.09639	1.6
137.13213	1.9
142.07727	1.4
147.08003	1.9
147.11671	9.8
149.09602	3.6
157.10115	9.0
163.01649	1.1
175.11157	11.1
193.10770	0.9
193.12219	48.2
211.13269	51.4
227.12578	1.0
228.13257	1.3
229.14171	1.1
239.23715	9.5
241.98064	1.1
249.14745	1.5
267.15872	5.5
307.94455	1.2
313.27310	6.3
505.38907	4.0
523.24304	2.9
523.39862	100.0
524.40210	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.27258	1.0
55.05507	18.1
57.03440	9.2
57.07069	51.3
57.75896	1.1
65.03915	1.7
67.05499	33.1
69.03438	2.5
69.07066	12.1
71.04984	3.1
71.08624	35.5
71.16544	2.4
79.05485	24.6
81.03410	39.8
81.07047	41.1
83.04971	8.2
83.08611	28.3
85.02901	19.5
85.06548	2.0
85.10172	17.7
91.04934	1.9
91.05473	26.6
91.06045	1.3
93.07034	17.8
95.04951	18.7
95.08595	36.6
97.02890	2.9
97.06522	2.5
97.10153	8.1
99.08073	1.2
99.11716	1.2
105.07011	21.2
105.07651	2.0
105.13780	1.1
107.04955	3.3
107.08571	7.7
109.06495	3.6
109.10139	14.4
111.04435	1.8
111.08065	7.7
111.11717	3.2
113.05976	1.4
119.08577	17.5
121.10126	15.1
123.08044	1.1
123.11679	6.3
125.13296	1.1
129.06993	11.0
131.08556	13.5
133.06485	2.8
133.10115	10.7
137.09601	1.6
137.13211	3.1
142.07776	2.4
146.90549	1.3
147.08015	2.1
147.11676	18.1
149.09596	14.2
157.10118	12.6
163.11159	1.0
165.12712	3.0
167.10637	1.3
175.11174	16.9
193.12222	51.4
193.13998	2.7
211.11230	2.3
211.13260	47.8
221.22621	1.1
239.23654	7.3
267.15869	24.3
271.75128	1.4
285.17047	1.0
313.27347	32.7
314.27704	1.1
341.13931	2.3
362.75232	1.1
385.16479	3.6
394.24432	1.2
396.86307	1.1
403.17639	2.6
431.17004	1.3
445.77209	1.1
505.38907	9.4
523.39905	100.0
524.40363	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01860	3.1
55.05509	6.0
58.53384	2.3
67.05483	8.2
69.03423	3.6
69.07069	4.2
69.47896	3.7
69.48302	17.6
70.06577	5.0
79.05491	10.8
81.03409	9.9
81.07056	14.8
83.08617	3.0
91.05470	10.0
93.07027	9.1
94.04156	4.2
95.04949	6.8
95.08574	6.8
97.02867	4.2
97.06512	5.2
97.10163	2.8
103.05454	4.8
105.07012	7.9
107.04939	7.8
107.08572	4.3
109.10108	4.6
119.08574	6.7
121.10096	5.0
122.03685	5.8
123.04443	4.8
131.04890	3.7
133.06482	4.1
133.10112	4.3
135.04393	2.8
135.11670	3.7
137.04945	4.5
137.05962	62.7
138.06329	3.4
147.04430	5.3
147.11705	3.7
151.07532	6.0
154.75632	2.2
159.04427	2.6
161.05988	6.7
163.03951	2.4
163.07539	5.3
164.04613	2.7
167.06999	10.9
167.08310	2.7
168.07780	3.6
175.07483	5.5
177.05460	5.4
178.06215	13.2
181.08591	10.4
186.01617	2.7
187.07468	2.4
189.05327	2.5
189.09097	2.7
193.04942	3.2
193.12251	3.0
201.09061	2.3
203.03474	4.4
211.13286	4.6
217.05003	3.4
229.04959	5.3
231.02890	3.8
253.08444	2.3
257.11807	3.5
271.02264	3.3
273.07449	2.7
285.03937	3.7
285.11047	3.8
289.25137	3.5
297.03946	2.6
305.11053	2.6
315.05048	4.7
317.13742	2.7
329.06680	3.3
331.04401	18.6
341.13818	6.7
345.09543	8.0
346.06656	14.7
351.15860	5.8
361.09119	100.0
362.09354	11.6
385.16321	16.5
403.17456	9.0
413.16113	5.3
417.03955	2.6
431.17038	6.9
505.11261	8.7
506.12070	2.6
523.12402	10.1
523.21106	2.3
524.13397	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	523.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25266	1.7
55.01878	1.7
55.05492	3.6
57.03424	3.3
65.94048	1.8
67.05506	4.4
69.03420	2.5
69.07041	3.3
70.06583	5.2
70.16400	6.8
79.05481	6.3
81.03404	7.1
81.07037	7.0
83.08589	1.7
85.02872	2.0
91.05473	7.5
93.07037	6.9
94.04059	1.6
94.61634	1.6
95.04921	2.5
95.08598	7.4
97.02847	2.6
105.07023	4.8
107.04933	5.2
107.08588	3.7
109.10110	2.3
119.08559	3.8
121.06444	1.9
121.10108	2.8
122.03635	4.2
123.04433	2.8
123.11691	1.9
128.06218	1.7
129.06996	2.0
131.04951	2.6
131.08583	2.6
133.06415	3.4
133.10143	2.7
135.04419	2.3
135.11678	1.8
137.05960	41.0
137.07004	2.5
145.06451	3.3
147.04382	3.1
147.11621	2.1
148.09904	1.7
149.05971	2.1
149.09650	1.6
151.07513	3.8
153.01839	4.2
153.05423	3.6
161.05978	5.3
163.03926	2.9
163.07472	3.6
164.04642	1.9
165.05489	2.0
167.07034	6.7
171.82539	1.5
175.03917	2.7
175.11200	1.9
177.05466	4.5
178.06227	11.1
179.03439	2.0
179.07011	2.9
181.08603	3.7
185.00771	1.5
186.01544	2.7
187.07597	2.2
189.09073	3.4
191.03398	2.2
193.04977	3.6
193.12270	2.6
203.03412	3.6
211.01915	1.7
217.04984	3.1
225.09103	2.4
229.04881	5.0
231.02937	3.6
243.02831	2.9
243.06635	2.2
271.02298	3.3
271.24329	1.9
275.05603	2.2
285.11081	3.3
299.05673	1.8
301.07019	6.7
303.04843	5.9
313.03409	3.5
315.04913	3.1
317.13898	3.3
328.05951	1.9
330.07224	2.7
331.04404	21.6
332.04691	2.4
341.13702	4.6
345.09637	7.5
346.06778	15.6
347.07239	2.0
351.15814	1.9
361.09122	100.0
362.09470	11.3
385.16486	7.9
403.17484	7.9
413.15948	4.0
431.16736	2.9
459.19952	1.9
503.04221	1.7
505.11005	4.1
523.13190	7.1
523.21576	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	523.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50099	2.2
55.05499	7.2
57.03416	3.9
65.03934	2.5
67.05492	12.3
69.03411	5.7
69.07059	3.7
70.06579	3.5
73.92322	2.6
79.05493	10.9
81.03414	6.3
81.07048	17.9
83.04958	3.2
83.08591	3.4
83.50404	2.6
85.02892	4.8
91.05476	14.7
93.07022	13.6
94.04150	3.0
95.04951	7.7
95.08596	11.4
97.02866	3.3
97.06528	5.9
98.20686	6.1
103.05437	6.6
104.77674	2.5
105.07027	9.6
107.04946	9.7
107.08576	7.9
107.86469	3.1
109.06528	3.0
109.10166	8.7
112.36422	2.2
117.07034	4.9
119.08562	8.7
121.06526	4.9
121.10124	7.0
122.03625	9.7
123.04417	5.5
123.11687	3.3
131.04903	7.2
131.08516	2.5
133.10175	4.9
135.11673	4.5
137.05960	97.4
145.06491	5.3
147.04436	4.5
147.11639	4.5
149.06020	4.2
149.09572	4.3
149.13185	2.8
151.07547	4.0
153.01840	3.2
153.05460	4.1
157.10114	4.1
161.05943	15.5
163.03954	4.0
163.07591	7.4
167.07016	10.2
169.06413	2.8
173.06071	2.9
174.06714	3.5
175.03920	3.3
175.07535	3.6
177.05452	5.7
177.09122	2.9
178.06229	9.8
181.06487	3.1
181.08556	14.1
187.07619	5.3
189.05464	4.0
189.09125	5.9
193.05052	4.6
193.12236	5.4
201.05345	3.4
201.08969	3.9
203.03374	4.9
211.07388	2.7
211.13344	4.1
212.08372	3.2
217.04953	5.3
225.09068	4.6
227.07140	3.6
229.04970	4.0
243.02919	3.5
243.06619	3.4
255.06537	2.9
257.04474	4.4
264.56403	3.3
269.04553	3.7
273.07516	3.0
275.05182	2.8
285.03925	3.6
285.11176	6.2
301.07080	3.1
303.04962	4.8
313.03400	4.6
315.04929	4.7
315.12164	4.0
317.13754	3.7
329.06262	3.9
331.04431	19.0
341.13943	7.6
345.09644	11.7
346.06665	14.0
351.15732	7.1
361.09128	100.0
362.09561	10.6
385.16531	21.5
389.39609	3.1
397.42441	3.2
403.17542	12.1
413.15955	6.6
431.16855	4.9
505.11209	11.6
506.11804	3.2
521.33655	3.4
523.14252	11.3
523.22009	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	523.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02430	0.6
55.01831	2.0
55.05492	0.6
58.19559	0.7
65.03910	0.6
67.05482	1.0
68.99783	0.6
69.03355	1.0
69.07020	2.2
70.06567	1.2
71.63643	1.1
73.02889	0.8
79.05463	2.1
81.03380	0.9
81.07030	2.2
82.95202	0.6
83.04994	0.8
85.02895	3.4
85.06526	1.3
86.09678	0.9
87.00803	1.1
91.05434	2.0
93.07012	1.2
94.06551	1.2
95.01299	3.9
95.04919	2.3
95.08624	1.1
97.02866	1.7
97.06506	1.2
103.05426	0.8
105.06998	1.1
107.04942	36.1
107.08545	1.4
108.04447	1.0
108.05170	0.7
108.08087	0.9
109.10134	1.0
119.04914	4.1
120.08059	1.9
121.02827	1.0
122.05992	1.1
123.04402	2.8
127.03855	0.9
129.01794	0.7
131.04912	1.9
132.08026	1.8
133.02789	0.8
133.06514	0.6
134.05966	2.3
135.04382	1.4
135.11612	0.7
137.02277	0.8
137.05971	3.9
140.07005	4.6
141.00769	0.6
145.02815	0.9
146.05960	2.1
147.04413	3.3
147.06734	0.8
148.03838	0.7
148.07544	7.7
149.05858	0.6
151.03879	1.3
153.05405	0.9
155.03357	1.3
158.05949	0.8
159.04376	1.4
161.02209	0.9
161.05910	1.9
162.05463	0.8
163.03882	1.5
164.07008	0.6
165.05573	0.7
166.08591	0.9
168.06541	3.5
170.09564	1.0
174.05495	1.3
174.07857	2.5
175.07399	1.0
175.08737	0.8
176.07024	1.8
177.05423	1.3
179.03416	1.4
179.08490	0.7
187.08739	1.0
188.06854	0.6
189.05415	0.7
190.05008	1.1
197.06828	0.6
198.09091	2.1
199.08646	2.6
199.12314	1.2
200.09280	1.4
201.06618	0.7
201.10268	3.0
202.10805	0.6
203.06963	0.9
203.09560	0.6
207.08133	0.8
210.09230	0.9
211.08679	1.0
213.10249	3.6
214.05087	0.7
214.10954	2.1
215.11787	5.5
216.06609	0.9
217.04961	1.0
224.10785	1.3
225.10416	3.0
226.08685	1.0
226.10851	1.8
227.08173	3.2
227.11732	8.5
228.08760	0.7
228.12465	1.2
229.09676	3.3
229.13333	1.8
235.07483	0.7
237.10184	0.8
239.11749	2.7
241.09793	3.3
241.13298	2.4
242.10478	2.8
242.14009	0.7
243.11185	4.1
244.11989	1.4
251.11790	0.7
252.10120	1.0
253.08487	0.9
253.10878	0.9
253.13199	1.2
255.11259	16.0
256.11780	1.9
257.12863	2.0
269.08383	0.7
269.12918	6.2
270.13470	0.9
271.09729	1.8
271.14331	1.5
273.12329	2.1
279.11108	1.4
281.08017	3.3
281.12720	3.5
283.10623	0.8
285.11710	0.7
287.13843	11.5
295.09659	0.9
297.12302	10.0
298.13086	2.1
299.09198	1.9
299.13846	18.0
301.11865	0.9
302.12549	1.3
307.26486	0.8
315.13348	100.0
316.14072	40.2
317.10410	0.9
317.14703	1.6
319.09668	0.7
323.09155	1.3
325.11722	1.2
327.13364	1.3
331.04462	0.8
337.10983	0.8
343.12762	2.6
345.14395	1.4
361.09247	2.7
375.15305	0.7
383.11499	1.5
385.13852	2.7
387.14828	0.8
403.14972	9.5
405.16504	1.7
437.13614	0.7
445.16238	1.0
463.17377	4.0
469.15982	1.8
487.17038	5.6
495.19730	1.2
505.11414	1.1
505.18103	21.4
506.18475	1.0
523.19183	84.2
524.19537	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	523.144
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01840	0.2
56.02647	0.1
57.03431	0.1
61.02920	0.1
67.05499	0.1
68.99780	3.3
69.03413	0.3
70.06574	0.2
71.01342	0.2
71.66170	0.1
79.05476	0.2
81.03387	0.2
81.07043	0.2
83.08582	0.1
84.02104	0.1
85.02905	0.7
88.83723	0.1
91.05452	0.2
91.97892	0.1
93.07032	0.2
95.01318	0.1
97.02863	0.3
99.00791	0.7
105.03318	0.1
105.06980	0.1
107.04936	0.8
107.08592	0.1
109.02792	0.1
109.06516	0.2
112.01606	0.8
119.04912	0.2
121.06483	0.2
122.03642	0.2
123.04379	0.1
123.08035	0.2
127.00255	0.8
131.04889	0.2
133.02838	1.5
133.06483	0.2
135.04385	0.5
137.05956	2.6
139.00235	1.5
139.03874	0.3
139.07513	0.2
140.01054	0.2
142.02621	0.1
147.04388	1.0
148.05196	0.1
149.02318	0.2
149.05997	0.4
150.03091	0.7
151.03871	0.4
151.07506	1.1
153.01791	0.2
153.05431	0.2
161.05948	1.4
162.06720	0.2
163.03873	3.2
163.07513	0.4
164.04672	1.2
165.05460	3.0
165.09117	0.3
166.99739	1.6
167.07033	0.9
168.00519	5.8
169.01303	1.4
174.43732	0.1
175.03918	0.3
177.05432	0.4
178.06221	16.8
179.03455	0.2
179.07002	4.0
180.07800	1.0
181.08630	0.3
184.99106	0.2
185.00784	5.9
186.01564	6.3
189.05403	0.2
191.03424	0.1
191.07022	0.1
193.08540	0.2
194.02138	0.3
194.09341	2.0
195.02835	0.4
195.10141	0.8
204.04131	0.3
205.04970	0.5
215.03310	0.1
219.06564	0.2
229.04947	0.4
232.03564	0.9
233.04449	0.2
241.04706	0.1
243.02887	0.4
245.04424	0.1
247.02328	0.2
247.06056	0.1
249.78717	0.1
253.08664	0.3
255.06532	0.2
257.04510	0.6
258.05017	0.2
259.05981	0.5
260.03116	0.6
269.04529	0.1
271.02277	0.7
271.09647	0.2
272.32813	0.1
275.05499	1.1
279.21954	0.1
283.05777	0.1
284.03143	0.1
285.03879	1.3
287.05582	0.3
297.03891	0.4
299.01865	0.4
299.05450	0.5
299.09106	0.7
300.02567	0.2
300.06107	0.3
301.06961	0.2
303.04941	3.1
305.10147	0.2
312.06223	0.3
313.03369	1.4
314.04071	0.3
315.05005	1.4
315.08389	0.2
316.02087	0.2
317.06476	0.3
317.10181	0.9
318.07047	0.2
328.05765	1.7
329.06372	1.0
330.07230	0.7
331.04428	18.5
332.04852	0.4
333.09589	0.3
341.10306	0.3
345.05923	0.6
345.09653	0.2
346.06781	17.9
347.07053	0.4
360.08261	0.2
361.09100	100.0
362.09427	2.4
365.10123	0.2
383.11246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21441	0.1
52.34718	0.1
53.13607	0.1
55.05500	0.3
56.05024	0.6
57.03421	0.2
57.07063	0.1
58.06629	0.4
59.07362	0.2
60.08157	5.8
67.05489	0.2
69.07059	0.4
70.06603	0.1
71.07365	2.6
79.05482	0.2
81.07039	0.3
83.08601	0.2
86.09697	27.0
87.10029	0.4
93.07074	0.2
95.08605	0.2
97.06558	0.1
97.10143	0.1
98.19521	0.1
98.98451	2.6
98.99083	0.2
104.10732	2.8
124.99990	18.6
143.01059	0.2
145.27917	0.1
184.07324	100.0
185.07675	1.0
193.07097	0.1
203.97147	0.1
258.10974	0.2
309.05945	0.1
382.57452	0.1
504.34494	1.0
522.35345	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	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	1.8
56.05028	1.3
57.03419	0.6
57.07064	0.6
58.06593	1.3
59.07372	0.4
59.82567	0.4
60.08155	15.4
67.05495	1.7
69.07060	2.1
70.87865	1.1
71.07363	7.1
71.08646	0.4
79.05479	0.7
81.07030	2.0
83.08605	1.1
86.09694	49.0
87.10032	0.4
93.07048	1.2
95.08606	1.3
97.10149	0.9
98.98455	4.1
104.10730	98.3
109.10173	0.8
121.10179	0.4
124.99987	28.1
143.00980	0.5
153.85884	0.3
163.01610	0.8
172.95189	0.7
184.07320	100.0
185.07684	0.8
206.82947	0.3
238.70357	0.4
244.32060	0.4
258.11026	1.5
339.28986	1.3
504.34372	8.9
522.35474	28.9
523.35657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39191	1.8
53.03933	2.0
55.05495	4.8
55.10519	1.9
62.81016	1.7
67.05486	8.0
69.07062	6.1
71.04977	8.1
72.52202	1.7
78.12525	1.9
79.05484	10.2
81.03396	3.3
81.06608	3.6
81.07044	33.4
83.08601	3.0
85.02900	8.3
91.05463	6.4
93.07047	14.2
95.04917	1.9
95.08611	14.1
97.01080	2.0
97.02940	4.5
98.64091	1.9
105.01867	4.6
105.06994	14.1
107.08582	18.1
109.02882	3.4
109.10148	12.6
119.08569	21.9
121.10194	2.8
123.11716	6.8
127.03915	2.6
127.11201	7.7
127.47379	1.9
133.10138	17.6
135.11684	26.8
137.05974	3.7
143.10683	3.1
145.04904	3.8
145.32869	2.0
147.04413	2.2
147.11696	7.9
153.12729	6.0
161.13217	5.0
163.03923	2.4
167.14380	2.3
177.01869	3.0
177.05435	3.6
178.06042	2.4
179.06796	2.8
203.17947	17.9
205.05069	3.4
208.40894	2.0
221.19017	17.1
228.04765	2.8
264.08582	2.2
271.06094	2.7
285.03851	2.1
315.05008	3.7
345.09769	4.9
361.09241	3.5
367.14774	2.3
376.23013	2.1
402.07028	3.1
430.06412	7.4
432.04385	2.8
446.05823	4.0
474.05463	18.6
475.05914	2.6
489.07898	3.8
504.10065	3.0
505.11630	3.1
522.11133	100.0
523.11859	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	522.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.54357	0.5
55.05508	12.1
57.03427	7.9
57.07060	1.8
57.64302	0.5
60.04493	0.6
65.03909	1.0
67.05495	27.2
69.06694	0.9
69.07059	15.5
71.04969	1.3
71.08622	0.8
71.63873	1.0
79.05476	7.5
79.49231	0.5
81.07044	30.2
82.07378	0.7
83.04951	1.1
83.08601	7.7
85.06555	0.7
86.09699	0.9
88.03974	7.6
91.05460	4.6
93.07028	7.0
94.07347	0.5
95.04950	0.9
95.08591	19.6
97.06515	2.4
97.10154	3.6
98.98476	5.3
105.06999	3.8
106.05039	1.3
107.08589	4.0
109.10134	9.2
111.08038	0.6
111.11687	1.1
118.79307	0.6
119.08578	3.4
121.10126	3.6
123.11718	3.0
133.10132	2.9
135.11664	2.2
137.13223	0.9
147.11679	1.4
149.13229	1.1
155.01019	0.6
159.11710	0.7
161.13213	1.7
163.14848	0.8
165.16348	0.5
173.02061	0.9
175.14812	0.8
184.07324	2.3
185.07739	0.8
245.22635	0.8
263.23599	1.7
337.27316	100.0
338.27737	4.0
350.26862	1.8
390.53745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	11.0
54.82825	4.1
55.01854	13.7
57.03413	8.7
61.02908	6.2
67.05473	6.1
68.04452	4.5
68.99761	5.5
69.03415	26.4
70.76454	3.6
71.04994	6.6
71.59326	4.1
73.02908	5.5
74.09715	3.5
79.05473	15.8
81.03403	29.7
81.07061	4.3
85.02399	7.3
85.02891	94.1
86.09666	4.0
87.00814	32.9
91.03931	4.6
91.05444	7.6
91.10834	4.0
95.04946	4.9
95.08573	5.9
97.02882	39.1
98.83753	3.5
99.04446	14.1
105.01845	29.0
105.07015	3.9
107.04939	18.2
107.08591	5.0
108.04466	7.5
109.02862	39.0
109.10147	5.8
115.05438	10.0
117.01845	4.4
117.06998	100.0
118.07262	4.3
119.08577	4.5
121.12650	3.4
125.30772	3.6
127.03903	67.6
129.01790	4.8
137.05934	4.3
145.04964	36.3
147.04346	3.9
153.05446	79.5
159.02864	26.9
177.05397	6.8
181.13934	3.5
195.06448	5.1
231.04993	16.5
257.11661	5.6
281.11456	5.3
323.12592	5.8
345.09723	4.5
361.09244	4.6
361.38510	3.4
424.53091	3.7
453.53369	3.6
522.10913	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	522.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	11.0
54.82825	4.1
55.01854	13.7
57.03413	8.7
61.02908	6.2
67.05473	6.1
68.04452	4.5
68.99761	5.5
69.03415	26.4
70.76454	3.6
71.04994	6.6
71.59326	4.1
73.02908	5.5
74.09715	3.5
79.05473	15.8
81.03403	29.7
81.07061	4.3
85.02399	7.3
85.02891	94.1
86.09666	4.0
87.00814	32.9
91.03931	4.6
91.05444	7.6
91.10834	4.0
95.04946	4.9
95.08573	5.9
97.02882	39.1
98.83753	3.5
99.04446	14.1
105.01845	29.0
105.07015	3.9
107.04939	18.2
107.08591	5.0
108.04466	7.5
109.02862	39.0
109.10147	5.8
115.05438	10.0
117.01845	4.4
117.06998	100.0
118.07262	4.3
119.08577	4.5
121.12650	3.4
125.30772	3.6
127.03903	67.6
129.01790	4.8
137.05934	4.3
145.04964	36.3
147.04346	3.9
153.05446	79.5
159.02864	26.9
177.05397	6.8
181.13934	3.5
195.06448	5.1
231.04993	16.5
257.11661	5.6
281.11456	5.3
323.12592	5.8
345.09723	4.5
361.09244	4.6
361.38510	3.4
424.53091	3.7
453.53369	3.6
522.10913	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	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80511	1.4
53.03936	4.1
54.30926	1.4
55.01871	7.2
55.05277	1.9
55.05507	23.3
55.35058	1.4
57.03419	5.2
57.06806	2.5
57.07071	45.2
60.12984	1.6
65.03917	2.2
65.04848	1.3
67.05147	1.7
67.05500	39.4
69.07063	18.8
69.30666	16.7
71.04985	4.2
71.08620	28.3
79.05482	30.3
81.03419	10.6
81.07047	42.0
83.01313	4.0
83.04971	9.3
83.08611	26.4
85.02880	4.5
85.10170	17.5
91.05453	16.1
93.07029	34.7
95.04420	1.9
95.04964	9.8
95.08591	48.8
97.02881	2.4
97.06519	4.9
97.10156	9.4
98.20733	3.4
99.04441	2.1
105.07011	11.8
107.04961	8.4
107.08582	22.6
109.06487	4.7
109.10165	16.2
111.04382	2.6
111.08102	3.1
111.11705	2.2
117.07011	9.7
119.08553	10.8
121.06504	4.1
121.10146	10.2
123.08061	3.6
123.11708	5.7
125.06013	2.0
129.06987	2.8
130.07791	3.2
131.08566	3.7
133.10126	3.9
135.08012	1.9
135.11674	28.6
137.13260	2.3
139.07573	1.9
145.10101	24.5
147.08084	2.0
149.09705	1.6
153.12750	1.7
155.39680	1.4
163.11163	53.5
173.09679	2.6
175.36833	1.5
181.12221	10.1
191.10693	3.0
193.12253	4.9
198.84283	1.4
209.11658	8.2
209.69687	1.7
211.13274	3.0
227.12744	72.7
237.22148	2.1
239.23807	6.8
272.36624	1.6
521.38361	100.0
522.38666	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	522.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98404	0.5
55.18085	0.5
59.77995	0.6
60.04531	0.5
69.03417	1.3
71.25613	1.6
71.54086	0.6
72.08126	0.6
78.03442	1.5
85.02901	1.0
93.05395	0.5
96.70623	0.7
97.02880	100.0
98.03201	1.0
106.02896	5.8
111.07504	0.5
124.03943	10.7
124.07568	0.9
128.01463	0.5
186.33626	0.5
196.05914	0.6
199.58682	0.6
200.29793	0.5
220.06020	23.6
238.07042	5.6
256.08167	0.8
360.12894	3.6
400.12317	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	521.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18602	0.6
53.03895	2.5
55.01823	3.1
55.05504	10.4
57.03403	1.5
57.07066	25.0
57.07329	1.3
65.03898	0.8
67.05492	26.8
69.03380	1.3
69.07054	11.9
71.00821	2.3
71.04933	2.6
71.08617	18.8
79.05480	22.3
81.03361	2.7
81.07043	25.5
83.04918	3.5
83.08610	13.3
85.02824	0.8
85.10165	7.8
91.05455	8.3
93.07028	28.4
95.04948	7.0
95.08586	41.6
97.02892	4.2
97.06470	3.5
97.10155	4.2
97.10635	0.8
99.04419	2.3
99.08046	1.7
105.07021	7.7
107.04945	7.3
107.08578	24.3
109.06470	1.7
109.10131	12.4
111.04372	1.7
111.08041	1.2
117.07001	8.5
119.07883	0.8
119.08571	8.9
121.06470	5.4
121.10113	9.2
123.11638	2.6
123.95222	0.7
125.05927	2.3
130.07745	1.7
130.46825	0.7
131.08521	1.1
133.10074	2.4
135.07982	1.8
135.11664	36.6
137.13164	1.0
139.07492	1.0
143.08524	1.4
145.08997	1.3
145.10100	25.1
147.11601	0.9
163.11153	49.1
164.11571	1.1
173.09613	0.9
181.12195	13.6
186.97220	0.7
191.10583	1.0
209.11682	3.6
227.12740	100.0
228.13072	1.2
236.21877	0.8
239.23627	4.0
265.14450	0.9
275.19922	1.4
291.16669	0.8
293.21063	5.3
313.27313	1.0
320.90546	0.8
394.22183	0.8
516.12952	0.8
521.38397	66.4
522.38873	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
54.91618	0.8
55.01861	2.1
55.05497	9.8
57.07063	20.9
59.28094	0.8
65.03919	0.9
67.05495	19.9
69.03423	1.0
69.07045	9.0
70.21108	1.5
70.21508	2.4
71.04977	1.4
71.08624	14.4
75.65075	0.7
79.05481	15.4
81.03410	0.9
81.07042	22.8
83.04961	1.3
83.08604	10.3
85.06523	0.9
85.10173	8.5
87.35609	0.8
91.05468	7.3
93.07027	24.3
95.04930	5.2
95.08592	30.8
97.02873	1.4
97.06503	2.5
97.10149	4.3
99.04430	3.5
105.07000	4.7
107.04932	5.8
107.08574	18.1
109.06502	1.1
109.10121	7.9
111.08074	1.2
111.11700	1.5
117.06989	5.9
119.08585	6.4
120.41235	1.0
121.06488	4.8
121.10115	8.4
123.11689	2.6
125.05965	2.7
130.07805	1.5
133.10132	2.0
135.08022	2.3
135.11674	32.5
139.07564	1.5
139.14871	0.9
145.10086	19.2
147.11664	2.1
163.11157	51.6
164.11508	1.3
179.33015	0.9
181.12192	13.0
209.11673	2.2
227.12746	100.0
228.13170	1.9
239.23732	2.9
267.15891	1.5
511.05695	1.1
521.38318	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59199	0.2
51.02376	0.4
53.03938	1.0
55.01854	0.5
55.05500	0.3
57.03424	0.6
61.02917	0.5
65.03936	0.8
66.04700	0.8
67.05496	3.0
68.99760	1.2
69.03419	2.0
69.07051	0.3
69.32803	2.5
73.02908	0.3
77.03931	0.7
79.05481	3.4
80.49632	0.3
81.03416	0.6
81.07039	2.9
83.04962	0.3
85.02884	1.5
87.00817	9.6
87.04443	0.7
91.03952	0.5
91.05463	3.9
93.07028	1.5
94.04163	1.0
95.04957	3.1
95.08588	0.6
97.02877	30.8
97.06506	0.4
98.21400	0.5
103.05443	0.8
105.01841	5.1
105.03372	0.6
105.04527	0.3
105.07021	1.0
107.04919	1.2
107.08558	0.3
108.05720	3.0
109.06506	10.3
109.10170	0.7
111.04446	0.3
111.08065	0.6
115.03896	0.8
117.07020	0.4
119.04953	0.4
119.08470	0.3
121.06497	2.9
122.07239	0.3
123.04410	49.3
123.08042	0.6
124.04746	0.4
125.05970	1.2
128.06090	0.3
131.08553	0.4
133.04962	0.6
133.06468	0.7
135.04387	2.1
135.08047	0.3
135.11754	0.3
136.05139	0.4
137.05954	9.1
138.06725	0.9
139.07523	4.1
147.04391	0.6
147.11684	0.3
149.05954	10.6
150.06505	0.2
151.03928	0.3
151.07481	0.6
153.05440	0.3
153.09067	3.8
155.06999	5.2
159.02934	0.6
161.06027	0.6
163.03935	0.4
163.07590	0.3
165.05458	3.0
165.09093	1.2
166.06242	0.3
166.89731	0.3
167.07011	100.0
168.07391	2.2
173.05989	0.4
175.52068	0.3
177.05493	0.5
178.06242	0.3
179.06998	2.6
181.08562	19.2
182.08905	0.3
189.05548	0.3
191.07048	1.5
193.08568	5.0
201.03894	5.5
201.05492	0.6
205.08600	0.8
209.08051	3.9
219.06520	0.8
223.09645	1.0
229.14255	0.4
245.08084	0.4
251.09065	0.5
259.09576	0.3
263.08990	1.2
275.20016	0.5
277.10651	0.3
303.12216	21.4
304.12439	0.8
315.12216	5.7
323.07611	0.4
327.12091	0.8
341.08533	0.8
345.13229	3.0
381.13312	0.4
385.11069	1.1
399.13879	0.9
404.25079	0.2
417.15118	0.5
421.05429	0.3
435.06720	0.3
491.05820	0.3
503.16068	0.5
521.09460	2.5
521.17438	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	521.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01852	4.4
57.03430	2.4
61.02922	2.6
67.05470	2.2
68.99783	3.8
69.03420	11.0
71.04984	1.3
73.02917	2.3
79.05479	4.7
81.03413	13.2
81.07054	5.5
83.04969	1.3
83.53020	1.0
85.02892	20.9
87.00813	9.7
91.05447	6.0
93.07033	2.0
94.04122	1.2
95.04937	2.1
97.02880	9.0
97.06516	2.1
99.04451	4.4
103.03909	2.3
103.05455	1.5
105.01839	5.0
105.03479	1.1
105.07006	2.5
107.04945	2.0
107.08540	1.7
109.02843	9.5
109.06495	6.5
115.05447	1.8
117.01774	2.0
117.07020	1.7
119.04915	2.5
119.08537	1.6
121.06508	3.2
121.10155	1.3
123.04417	45.9
127.03899	13.8
129.01834	3.8
131.04916	1.5
135.04359	1.9
135.07976	1.2
137.05957	100.0
138.06300	2.1
145.02840	1.1
145.04900	3.6
145.06444	4.1
147.02847	2.3
147.03043	1.7
147.04378	18.7
147.07974	2.0
149.05937	11.7
151.07536	3.1
159.02888	5.2
160.05206	1.6
161.05986	7.3
163.07495	10.6
165.05481	12.6
173.05901	6.2
175.07469	2.8
177.05452	3.7
179.06981	8.8
185.05899	1.9
187.07600	1.9
189.03909	2.5
189.05461	8.8
191.06999	1.6
203.06993	3.8
215.03508	1.2
217.08603	2.4
231.06494	3.5
245.08099	7.2
259.09634	2.8
273.11234	4.5
285.11182	9.5
297.11151	9.0
315.12222	3.8
335.07721	1.3
339.12244	4.1
363.12317	2.5
381.13239	13.2
447.81833	1.3
485.14609	2.7
521.10596	11.0
521.19232	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	521.165
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
59.90838	0.2
65.67938	0.2
69.03364	0.2
69.41058	1.8
79.05380	0.3
81.06979	0.2
93.06956	0.3
95.08539	0.2
97.02790	0.5
107.04891	0.2
130.54037	0.2
137.05975	2.0
139.07381	0.2
140.04628	0.3
147.04375	0.3
149.05902	0.3
149.47340	0.2
151.03810	0.2
153.65039	0.2
161.05965	0.3
162.28857	0.2
163.03893	1.0
167.03384	1.3
167.06932	0.6
177.01743	0.4
177.05383	0.6
178.04749	0.4
178.06230	6.4
179.06636	0.2
184.03621	1.0
192.04146	0.9
193.04999	0.2
213.05191	0.2
215.64561	0.2
219.06400	0.2
230.05678	2.5
231.06358	0.4
241.04823	0.6
242.05672	0.6
245.04453	0.2
245.07899	0.2
255.06505	0.9
257.04269	0.3
257.08008	0.5
258.05261	1.4
259.05960	0.3
265.11810	0.2
269.04395	5.9
270.05063	0.4
273.07541	2.2
283.05927	2.2
285.07608	0.5
286.04694	1.0
295.06006	0.7
296.03210	0.2
297.03900	1.2
297.07449	0.5
298.04623	0.7
298.08362	0.6
299.01730	0.2
299.05438	0.3
301.07019	8.0
302.07339	0.3
303.12180	0.4
305.12048	0.2
311.05457	2.0
313.07083	1.4
314.04160	4.4
315.08484	0.5
325.07169	0.4
326.07556	0.9
327.08511	0.9
329.06522	46.4
330.06879	1.0
343.08182	1.4
344.08862	16.4
345.09332	0.3
359.11203	100.0
360.11569	2.3
507.54642	0.2
521.16663	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	521.1648
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.38825	0.1
60.99537	0.2
69.84138	1.1
73.83194	0.2
76.87097	0.2
79.05441	0.3
85.02872	0.3
89.99425	0.2
91.05434	0.4
97.02843	0.6
97.06445	0.2
99.55103	0.2
105.06962	0.2
109.10069	0.2
119.04884	0.2
122.31489	0.1
128.84004	0.2
133.10072	0.2
135.04355	0.2
137.05968	1.3
140.04593	0.2
146.05975	0.2
147.04346	0.6
148.04720	0.4
151.03915	0.2
161.02304	0.2
163.03838	0.8
164.07068	0.2
167.03426	1.5
167.06982	0.6
177.01775	0.3
177.05453	0.3
178.06232	3.3
184.03648	0.4
185.05899	0.2
192.04109	0.5
192.94298	0.2
193.04817	0.2
197.04425	0.3
213.05536	0.2
219.06447	0.2
230.05708	1.7
231.06516	0.5
241.04897	0.5
242.05661	0.3
245.04494	0.3
245.07964	0.2
254.02107	0.3
255.06500	0.9
257.08054	0.4
258.05161	1.6
259.86484	0.2
269.04416	5.5
270.04846	0.3
273.07532	2.4
282.05057	0.2
283.05957	2.0
285.07520	0.5
286.04694	1.3
295.05945	0.5
297.03903	1.2
297.07620	0.6
298.04642	0.6
298.07977	0.3
299.05515	0.2
300.06195	0.2
301.07019	9.2
303.12332	0.4
311.05496	1.4
312.06073	0.2
313.07071	1.1
314.04147	4.0
315.08502	0.3
325.06937	0.4
326.07718	0.9
327.08624	0.9
329.06506	43.9
330.06876	1.0
343.08124	1.4
344.08862	16.5
345.09164	0.5
359.11194	100.0
360.08212	0.2
360.11661	2.3
429.05887	0.2
521.10675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01873	0.5
57.03412	0.3
61.02945	0.4
65.03920	0.6
66.04725	0.5
67.05499	2.4
68.99783	0.9
69.03432	1.5
71.17654	0.3
71.18018	0.8
73.02903	0.4
77.03904	0.4
78.04699	0.5
79.05481	3.5
81.03393	0.7
81.07057	2.4
85.02451	0.3
85.02876	1.8
87.00819	9.5
87.04440	1.4
91.03957	0.6
91.05465	4.3
93.07039	1.3
94.04167	1.1
95.04962	2.9
95.08601	0.3
97.02880	31.0
97.06506	0.4
103.05463	0.7
105.01850	5.2
105.03377	0.4
105.04483	0.5
105.07001	0.7
107.04961	1.2
108.05728	3.0
109.06503	9.7
109.10159	0.5
110.95455	0.3
111.08104	0.4
112.83879	0.3
115.03927	1.1
117.07024	0.4
119.08595	0.3
121.06496	3.0
122.07277	0.6
123.04416	45.4
123.08018	0.8
123.49289	0.3
124.05256	0.4
125.05949	1.2
133.04955	0.5
133.06487	1.0
133.10150	0.3
135.04390	2.1
135.08038	0.3
137.05962	10.1
138.06720	0.8
139.07541	4.4
147.04413	0.7
149.05968	10.8
150.06694	0.3
151.07521	0.3
152.04567	0.4
153.05478	0.3
153.09088	3.2
155.07007	4.9
159.02876	0.7
161.05997	0.4
165.05466	3.1
165.09088	1.3
167.07019	100.0
168.07388	1.2
172.74919	0.3
173.06013	0.5
179.07018	1.9
179.65158	0.4
181.08575	19.6
191.07036	1.4
193.08591	4.7
193.80899	0.3
201.03897	5.4
201.05525	0.5
205.08620	0.8
209.03210	0.3
209.08025	3.9
210.08533	0.3
212.48199	0.3
219.06595	0.6
223.09679	0.7
245.08026	0.9
251.09032	0.4
259.09692	0.6
263.09055	1.3
284.92334	0.3
303.12234	20.5
304.12558	0.5
315.12250	5.4
327.12207	1.0
341.08530	0.6
345.13187	3.0
367.10226	0.4
381.13010	0.5
385.11249	1.7
399.13669	0.9
421.05246	0.3
451.45959	0.4
521.10333	1.3
521.17242	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	521.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79212	0.1
55.05495	0.2
57.03417	0.2
67.05482	0.2
69.03398	0.2
70.70937	0.1
79.05448	0.2
81.03376	0.2
81.07038	0.3
85.02907	0.2
87.61633	0.2
92.02591	0.4
93.07035	0.3
95.04941	0.3
95.08609	0.2
97.02875	0.6
97.06535	0.3
98.21475	0.4
105.06969	0.2
107.04961	0.4
109.02833	0.4
120.02076	1.5
125.05910	0.2
127.03915	0.2
131.04927	0.2
133.06424	0.2
135.04381	0.3
137.02322	3.2
137.05951	2.0
138.03120	0.9
146.03566	0.2
147.04428	0.2
148.01527	0.3
149.05936	0.4
151.03885	0.3
151.07506	0.2
152.00980	0.2
153.05428	0.6
161.05963	0.6
163.03847	1.4
164.04646	0.2
165.01788	0.5
166.02631	1.7
167.03328	1.2
167.06992	0.5
173.05960	0.2
175.07484	0.3
177.05449	0.5
178.06216	7.3
179.06961	0.3
183.02896	0.3
184.03680	0.9
185.05873	0.3
187.07524	0.3
192.04076	0.3
193.04962	0.3
194.09497	0.2
195.02968	0.2
199.07443	0.2
201.09190	0.2
204.04243	0.3
213.05383	0.7
225.05692	0.2
227.06961	0.4
230.05678	1.4
231.06325	0.2
240.04185	0.2
241.04958	0.6
242.05598	0.3
245.08018	0.3
255.06587	0.8
256.07318	0.4
257.08191	0.4
258.05249	0.9
269.04385	5.3
270.05066	0.3
271.06091	0.2
273.07520	1.5
282.01654	0.2
283.05957	1.3
285.07516	0.7
286.04684	0.6
287.05478	0.3
295.06091	0.4
297.03912	1.1
297.07489	0.7
298.04697	0.7
298.08005	0.2
301.07022	5.7
303.12186	0.2
311.05493	1.3
312.06055	0.3
313.03928	0.2
313.06921	0.9
313.10156	0.2
314.04163	3.2
314.07501	0.3
315.04926	0.3
315.08453	0.2
316.09271	0.3
326.07776	1.2
327.08566	0.9
329.06500	34.5
330.06784	0.9
331.11725	0.3
339.15891	0.2
343.08023	1.0
344.08850	18.3
345.09155	0.3
355.15051	0.2
359.11182	100.0
360.11545	2.4
381.09509	0.2
383.14819	0.2
460.11673	0.2
521.16290	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	521.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
53.69290	0.7
55.01857	3.3
57.03416	2.2
59.05433	0.7
61.02911	2.4
67.05476	2.0
68.99784	5.7
69.03418	14.3
69.39750	3.8
69.40173	3.8
71.04968	3.2
73.02910	2.8
78.83773	0.6
79.05479	3.4
80.50014	0.7
81.03396	13.5
81.07040	3.5
83.01365	0.8
85.02388	1.5
85.02892	30.6
85.69762	0.6
87.00816	11.3
91.05467	2.2
93.07041	1.4
94.04179	1.1
95.04953	4.2
97.02882	9.5
99.04429	6.6
103.03938	1.6
103.05442	2.1
105.01850	7.9
105.07023	1.4
107.04947	1.7
109.02870	14.6
109.06524	5.1
111.23807	0.8
115.05494	0.8
117.01832	1.8
119.04923	1.6
121.06483	7.5
123.04411	91.6
124.04755	1.2
127.03905	20.6
129.01843	2.5
135.08023	1.3
137.05954	100.0
138.06285	2.2
145.04955	6.3
145.06500	1.5
147.02815	1.7
147.04401	7.0
149.05957	26.0
151.07538	3.1
159.02835	7.4
161.05994	4.2
163.07521	11.0
165.05450	8.4
173.05946	2.2
175.07526	3.4
177.05417	1.6
179.06990	8.7
189.05414	5.2
189.09100	0.9
191.06973	2.1
203.06979	3.1
217.08583	2.0
231.04836	2.1
231.06798	1.1
231.69899	0.7
245.08080	6.2
259.09540	2.4
273.11215	16.8
285.11130	8.1
297.11267	3.1
315.12277	3.6
339.12057	3.5
349.09326	1.6
363.12265	1.7
381.13245	11.4
482.09250	0.8
485.14597	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	521.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16973	0.3
68.99797	0.5
69.37963	2.1
79.05463	0.4
91.05466	0.8
96.42775	0.3
97.24284	0.2
107.04947	0.8
119.04879	0.3
121.02768	0.3
123.04459	0.3
125.05988	0.3
135.04417	0.5
137.05946	0.5
139.07530	0.7
147.04399	0.9
149.02325	0.5
149.05966	1.7
151.03862	0.3
151.07498	0.5
153.05447	0.5
161.02289	0.4
161.05948	0.5
162.03131	0.4
163.03886	1.8
165.05457	0.3
167.06993	2.0
175.03885	0.4
177.01871	0.4
177.05402	2.1
178.06238	2.9
179.03368	0.6
179.07008	1.0
181.08466	0.4
191.03409	0.6
191.06900	0.4
193.04984	0.7
194.09247	0.3
195.06500	0.9
197.06093	0.4
199.03920	0.4
205.04932	3.9
205.08609	0.7
206.05557	0.4
211.03897	0.4
213.05498	0.3
225.05438	0.4
227.03462	0.4
229.04881	0.5
231.02873	0.7
239.03403	0.4
241.04893	0.5
253.04988	0.7
255.02914	0.7
267.02744	0.4
269.04376	1.0
271.02319	0.4
281.04486	0.7
283.02371	0.5
297.03964	0.8
299.05472	0.4
312.06302	0.4
313.07156	0.4
317.04355	2.5
318.05121	0.5
325.03513	0.4
329.04083	0.4
329.08276	0.4
330.05164	0.9
331.05865	0.6
333.03864	0.7
337.03558	0.3
342.05304	0.6
343.06110	0.8
344.09219	0.4
345.07312	0.4
347.05463	0.5
347.53143	0.3
355.05588	0.4
358.04639	0.7
359.05292	0.4
361.03241	0.4
361.07153	0.7
371.05530	0.9
373.07083	1.2
374.03897	0.4
375.05008	0.9
383.05557	0.6
385.03293	0.5
386.04193	1.2
387.04898	0.5
389.06482	0.8
399.04886	1.7
400.05807	0.5
401.06570	3.9
403.04205	1.5
411.04739	0.6
413.07187	0.3
414.07748	0.4
415.08502	0.6
417.06006	0.8
427.04144	0.6
429.05923	10.2
430.06366	0.5
431.03879	4.5
443.07547	0.9
445.05435	4.1
446.06351	0.4
447.10910	0.5
455.04004	0.5
457.05551	0.6
460.08160	0.5
461.08588	0.7
463.06668	0.5
471.06769	2.5
473.04974	26.0
474.05258	1.2
475.05994	2.1
487.06345	0.5
488.07318	9.2
489.08035	1.2
491.05997	0.9
503.09619	1.5
505.07614	0.5
521.10724	100.0
522.11047	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
56.05021	1.7
57.03427	0.6
58.06579	1.5
60.08159	17.7
65.68652	0.3
67.05486	3.5
69.07067	1.4
70.06610	0.3
70.70971	0.4
70.71304	0.5
71.07365	7.4
79.05476	0.8
81.07050	2.8
83.08592	0.4
86.09695	51.0
87.10031	0.3
91.05462	0.6
93.07043	0.9
95.08594	1.9
98.98458	4.1
104.10732	93.0
105.07003	0.6
107.08601	0.7
109.10136	0.8
119.08547	0.3
123.11720	0.3
124.99991	29.8
133.10207	0.3
134.35913	0.3
137.13353	0.3
148.11389	0.2
163.01474	0.4
175.22180	0.2
175.89436	0.2
176.13997	0.2
184.07321	100.0
185.07642	0.7
213.17184	0.3
213.27521	0.2
258.11081	0.8
278.16898	0.2
337.27335	1.0
443.26080	0.3
502.32904	7.2
520.33929	23.0
521.34320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88071	0.1
55.05505	0.4
56.05033	0.5
57.03431	0.2
58.06633	0.4
59.07125	0.1
59.07383	0.2
60.08154	6.1
67.05503	0.6
69.07057	0.3
70.06559	0.1
70.15420	0.4
71.07362	3.3
79.05476	0.2
81.07034	0.6
83.08593	0.1
86.09694	30.5
87.10035	0.1
91.05451	0.1
93.07024	0.1
95.08604	0.4
98.97810	0.2
98.98451	3.1
104.10734	2.9
109.10120	0.2
124.99986	20.7
143.01036	0.3
163.01453	0.1
166.02580	0.1
184.07317	100.0
185.07658	0.6
258.11014	0.1
337.27225	0.2
502.32895	0.8
503.33325	0.1
520.33929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61710	2.3
53.03940	10.8
55.01847	2.8
55.05507	35.0
57.07071	55.7
58.16920	2.6
62.50361	2.2
65.03949	4.1
67.05495	75.5
67.05859	4.3
69.07060	23.2
69.34949	25.5
71.08624	37.8
73.06621	2.2
79.05485	68.2
81.03413	6.9
81.07049	69.1
83.04984	8.8
83.08602	21.8
85.10175	15.0
91.05470	56.4
93.07033	57.7
93.07599	3.4
95.04956	21.2
95.08596	61.1
97.02911	3.2
97.06507	2.7
97.10197	7.6
105.04514	3.6
105.07018	40.2
107.04977	5.9
107.08578	16.6
109.06532	5.0
109.10135	21.2
111.08099	2.6
117.07031	10.4
119.08551	21.2
121.06551	4.3
121.10139	8.8
123.08070	2.8
123.11692	5.3
129.06978	13.8
133.10149	7.5
135.11670	5.7
143.08585	8.1
145.10152	9.3
147.11687	29.8
161.13229	13.4
163.11205	5.4
171.11690	21.9
189.12743	11.6
207.13754	27.7
225.15045	4.1
227.12729	12.6
239.23856	9.5
279.71985	2.5
519.40668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26414	0.8
53.03939	1.8
55.01852	1.0
55.05511	9.9
57.03440	7.7
60.04512	0.9
60.08155	3.2
65.03920	1.1
67.05497	38.3
68.05829	0.9
69.03407	1.4
69.07053	8.6
69.98968	4.3
71.04948	0.8
71.07368	1.6
79.05486	15.9
81.07047	27.7
83.04954	1.0
83.08609	3.0
86.09704	15.8
87.10017	4.8
88.03979	6.3
90.03823	0.9
91.05459	10.6
93.07027	17.5
95.04958	2.2
95.08595	22.2
97.10154	1.4
98.21404	0.9
98.98465	8.0
102.90053	0.8
104.10743	1.7
105.07011	4.7
106.05021	1.4
107.08588	8.3
109.10139	8.7
109.10802	1.2
110.10518	1.2
115.00378	0.7
117.06988	1.7
119.08562	3.9
119.09300	0.8
121.10110	5.9
122.10412	0.9
123.11681	2.9
124.99986	10.5
125.09606	1.1
126.00359	1.9
127.00413	3.2
130.21095	0.8
131.08551	2.5
133.10098	1.9
135.11661	2.6
137.09615	0.8
145.10065	2.4
147.11649	1.3
149.13245	1.5
156.60345	1.0
159.11705	1.2
161.13286	1.2
169.68958	0.8
173.02075	2.0
184.07323	39.0
185.07684	17.6
186.07764	10.6
243.21043	0.9
261.22189	1.9
291.19513	1.7
292.19855	1.6
335.25760	100.0
336.26273	1.8
348.25482	2.2
476.08542	1.0
502.31995	1.0
520.33337	5.4
548.61047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01867	1.4
55.05505	3.7
57.07050	1.8
61.60438	1.1
63.79535	1.0
65.03899	1.4
67.05496	8.5
69.03426	3.5
69.07060	5.4
70.06586	2.5
71.04982	17.0
79.05475	10.7
81.03409	2.8
81.07043	16.3
83.04981	1.6
83.08599	3.1
85.02876	9.0
85.06536	1.0
86.17942	0.9
87.00826	3.8
87.87912	1.1
91.05457	9.9
93.07035	19.5
95.04975	2.1
95.08598	23.9
96.51765	1.0
97.02878	4.6
97.06517	3.3
97.10184	1.2
99.08106	2.1
103.05496	1.2
105.01852	6.5
105.07022	22.8
107.04977	1.3
107.08578	17.8
109.02897	2.7
109.06510	1.9
109.10139	13.6
111.08098	1.5
111.61308	1.1
115.05450	1.3
115.88718	1.0
117.03399	1.6
117.06958	1.2
119.05016	1.1
119.08573	10.8
121.06483	1.9
121.10128	10.9
123.11711	4.7
125.09621	11.2
127.03909	5.5
127.07553	1.4
130.07813	1.3
131.06888	1.1
131.08562	4.3
133.10107	39.2
135.04443	2.3
135.11652	3.3
137.05974	3.9
143.08621	1.2
143.10655	16.5
145.02837	2.6
145.04979	1.8
145.10127	9.2
147.04434	1.1
147.11693	7.9
149.05949	2.1
149.09595	1.4
149.13248	17.0
151.07652	1.5
151.11217	2.4
157.10066	2.0
159.11653	7.2
161.13243	4.5
163.11182	1.7
167.07040	4.9
167.14296	51.1
169.12292	1.8
177.05408	7.6
177.12796	1.3
178.06114	3.1
179.03432	1.2
179.07050	1.7
201.16357	11.4
203.17834	1.8
205.04919	2.7
219.17416	24.2
237.18538	3.2
312.06253	1.6
315.05356	1.1
317.04492	2.2
352.16919	1.4
376.05899	1.8
401.06549	2.7
417.05914	1.6
427.04388	1.5
429.05716	6.6
431.03763	3.5
445.05276	3.2
471.06891	2.2
472.98602	2.2
473.04950	21.6
488.07462	6.8
489.07642	2.3
491.05792	3.7
506.08383	1.3
520.21252	1.2
521.10742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01860	3.8
55.05500	8.3
56.25819	3.1
58.89622	3.2
67.05489	6.2
69.03419	9.8
69.07060	10.6
70.06584	47.1
71.04983	4.0
71.06917	7.4
71.58620	4.1
72.08806	2.6
79.05482	12.9
81.03410	4.8
81.07079	17.4
83.04987	17.0
85.02901	8.5
87.00843	3.4
91.05487	11.3
93.07034	14.2
94.05376	2.9
95.04968	7.7
95.08586	6.7
97.02875	19.9
97.06531	16.0
97.10159	5.2
98.03251	3.6
99.04429	5.5
103.05424	3.0
105.07027	20.9
107.04924	6.3
107.08578	10.9
109.06500	11.0
109.10147	6.6
111.04401	3.8
117.06992	8.2
119.04906	6.9
119.08574	9.1
121.02808	2.8
121.06500	12.2
121.10162	4.4
122.60232	2.7
123.04496	2.9
124.03895	3.1
125.05970	28.2
127.03922	8.6
127.07579	5.1
129.06993	4.1
131.04941	3.0
131.08553	9.9
133.06381	3.7
133.10139	4.8
135.11687	3.1
137.05965	69.5
143.07024	13.8
143.08488	3.5
143.10710	4.8
145.02861	3.2
145.06485	4.1
145.10103	26.9
147.08034	3.8
147.11687	3.7
149.06067	3.5
151.07526	6.1
153.01889	4.3
153.05574	4.1
153.06912	2.8
159.08072	5.3
159.11713	18.3
161.05914	3.2
163.11165	12.5
165.09164	3.2
167.05675	4.8
167.07030	17.0
167.08345	3.5
169.10123	5.6
173.09642	19.2
175.07509	4.0
177.05460	11.9
177.12715	6.3
179.07076	4.7
187.11162	21.1
189.09021	2.9
191.10646	9.3
197.09590	8.4
201.05461	3.3
205.12207	21.8
211.14674	3.1
215.10568	23.7
223.13321	3.7
233.11694	21.0
251.12694	14.1
269.13925	4.9
271.05975	100.0
272.06317	6.7
299.06250	7.8
325.16510	5.2
373.08765	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	519.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
56.72032	0.5
57.03421	0.7
58.17005	0.6
64.75162	0.8
65.03919	0.7
67.05508	3.2
67.05798	0.7
70.70886	0.6
71.63547	0.9
71.63918	0.8
73.04741	0.7
74.62332	0.6
79.05470	2.7
81.07025	2.5
83.04976	0.7
85.02893	1.2
90.39391	0.6
91.05447	2.0
91.05892	0.7
93.07011	1.6
95.04952	1.0
95.08591	1.5
97.02837	0.7
105.03355	2.1
105.06997	2.7
107.04945	1.1
107.08552	1.8
109.06492	1.9
109.10117	1.6
117.06940	0.8
119.08591	1.3
121.02837	5.5
121.06506	0.8
121.10096	0.8
131.08565	1.2
135.04466	1.2
147.04326	0.8
149.05925	1.1
151.03873	1.0
161.05942	1.0
163.03883	1.3
165.01805	5.5
167.05592	1.3
167.07022	1.8
177.05447	2.7
178.06219	3.7
179.03365	0.9
179.06924	0.8
181.06474	1.3
183.02870	0.9
191.03311	1.1
191.07014	2.8
192.07767	1.1
193.04945	1.3
194.07243	0.7
197.04439	0.8
197.05969	3.2
209.05940	1.8
211.07503	0.9
221.05959	1.2
223.07466	0.9
224.08238	0.9
225.05470	1.2
226.06331	1.0
229.14293	0.9
237.05511	3.9
240.07722	0.8
241.08501	1.0
242.05751	1.9
249.05122	0.8
251.03265	1.0
251.06967	1.8
252.07840	1.0
253.04918	5.2
255.06483	0.9
264.04538	0.7
265.04904	4.9
266.05566	1.5
267.06543	2.1
267.10052	1.3
268.07193	2.4
269.05200	0.7
269.08069	3.4
270.05234	0.7
273.18555	0.9
279.06580	1.6
280.07187	1.9
281.04449	8.8
281.08051	4.3
282.05115	1.5
283.05972	7.8
283.09421	1.5
285.07361	0.9
291.19440	1.7
295.05988	2.4
295.09665	1.9
296.06735	5.4
297.07458	6.5
298.08313	4.5
299.05743	3.5
309.03860	6.3
309.07364	1.6
311.09027	8.0
312.09787	5.6
313.06949	2.3
313.10648	9.6
315.08603	1.4
323.05438	2.6
324.06226	10.1
325.06985	1.7
326.04510	0.7
327.05045	7.4
327.12192	6.9
328.05801	3.1
329.09930	0.9
338.07758	1.4
339.08502	5.6
341.06528	23.9
341.10672	1.4
342.06915	0.8
343.08078	1.1
343.11847	0.8
344.97650	1.2
353.10043	1.4
353.13989	0.8
356.08850	26.0
357.09570	1.5
371.11200	100.0
372.11536	1.9
469.14792	1.0
501.17468	55.4
502.17679	1.8
519.18848	3.3
519.33124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05018	0.7
57.03425	0.2
58.06618	0.4
59.07376	0.2
60.08154	7.1
61.86336	0.1
67.05489	0.7
69.07048	0.2
69.85878	0.4
69.86284	0.2
70.06564	0.2
71.07361	3.2
79.05479	0.3
80.97367	0.1
81.07052	0.5
86.09692	32.3
87.09998	0.2
91.05473	0.2
93.07037	0.3
95.08592	0.3
98.98449	3.3
104.10726	3.1
105.07017	0.1
107.08590	0.1
109.10135	0.1
124.99984	22.7
140.01158	0.1
143.00984	0.2
184.07312	100.0
185.07689	0.7
258.10956	0.3
335.25632	0.2
500.31277	1.0
518.32422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.05022	1.6
57.03420	0.5
58.06564	1.1
59.07347	0.3
59.93151	0.2
60.08153	17.1
67.05488	2.7
67.11416	0.2
69.07053	0.7
70.69833	0.3
70.70206	0.7
71.07361	6.9
79.05479	2.0
81.07040	2.5
86.09689	50.9
87.10017	0.2
90.08360	0.2
91.05473	1.0
93.07030	2.0
95.08605	1.3
98.98450	4.4
104.10724	99.7
105.06994	0.6
105.11044	0.6
107.08566	0.9
109.10143	0.5
119.08578	0.5
121.10118	0.3
124.99980	30.3
127.94168	0.2
135.11714	0.4
143.01031	0.3
147.11618	0.3
163.01526	0.7
163.09927	0.2
178.60176	0.2
184.07306	100.0
185.07632	0.6
240.09975	0.2
257.36823	0.3
258.11035	1.1
260.76083	0.2
277.51004	0.2
335.25739	0.7
441.23923	0.4
461.01614	0.2
500.31235	8.0
501.31567	0.4
518.32330	23.2
519.32733	0.8
532.85077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1492
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
52.90116	0.2
53.03938	1.3
55.05507	0.4
56.01574	0.2
57.86149	0.2
65.03933	0.4
67.05483	0.7
68.99786	1.4
69.03410	0.3
69.07041	0.3
71.05000	0.2
72.29409	0.2
77.03963	0.6
79.05463	0.5
81.03390	0.6
81.07043	0.5
85.02872	0.5
90.03151	0.2
91.05433	0.3
93.07054	0.3
95.04945	2.4
95.08583	0.3
97.02880	0.5
105.03374	36.5
105.04518	0.9
106.03700	0.3
108.02066	1.1
109.02850	0.6
110.84248	0.2
111.04405	0.4
112.62876	0.2
119.08533	0.2
121.02843	0.5
123.04404	0.4
125.05962	0.3
127.03892	0.5
137.05928	0.4
147.04370	2.6
149.05983	0.3
151.03879	100.0
152.04221	0.9
154.02589	0.4
193.04820	0.3
210.06824	0.3
238.06117	1.1
253.08569	2.0
271.09610	31.6
272.09940	0.3
374.50073	0.2
417.10175	0.4
432.33313	0.2
499.80573	0.2
519.22437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.99101	1.6
53.03945	2.1
55.01861	2.5
55.05501	16.4
57.03419	4.1
57.07066	3.4
67.05492	36.8
69.07061	16.6
71.04984	3.1
71.59026	2.1
71.59440	3.1
79.05492	25.7
81.07047	38.7
83.08608	10.1
85.06537	2.3
91.05480	21.8
93.07036	32.6
95.04934	2.6
95.08600	30.6
97.06526	2.8
97.10166	3.5
99.08058	1.9
105.07019	25.7
107.08579	22.0
109.10139	15.2
111.08098	2.8
115.05514	2.5
117.06999	9.7
117.07713	2.0
119.08565	27.9
121.10115	17.7
123.11662	4.9
129.06996	4.7
131.08543	19.4
133.10109	24.3
133.11037	2.7
135.11659	13.7
143.08560	7.2
145.10127	19.3
147.11620	14.2
149.09601	2.5
149.13248	6.2
155.08604	3.0
157.10129	4.8
159.11655	16.0
161.13258	9.1
163.14738	2.6
169.10074	2.0
171.11716	5.5
173.13257	9.7
175.14812	4.0
183.11781	2.8
185.13292	5.7
187.14818	4.1
197.13281	2.8
197.44992	2.2
199.14792	3.2
201.16493	3.3
211.14929	2.1
241.17943	4.4
257.18793	1.8
259.20569	4.6
299.23654	2.9
301.25220	3.5
333.24365	2.3
391.28430	2.5
407.33020	3.7
425.34155	12.4
443.35370	7.5
499.37827	21.3
517.38855	100.0
518.39301	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	518.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.2
55.01862	7.8
55.05501	0.9
57.03427	1.1
57.07071	6.2
58.31017	0.7
59.04990	1.3
59.57340	0.8
61.02868	0.8
67.05494	5.3
69.03414	8.9
69.07056	6.2
70.02945	7.1
70.06573	1.6
71.04970	2.9
72.04504	18.4
72.08128	1.5
73.02522	1.1
73.02901	9.9
74.02422	1.5
79.05463	0.9
81.03405	15.7
81.07010	1.3
82.06570	2.0
83.04974	5.9
84.04482	1.1
84.08130	1.2
85.02886	5.5
85.06530	6.8
86.09699	5.9
87.08091	2.0
89.67505	0.8
90.05540	31.4
95.04958	7.6
96.08109	2.4
97.02875	12.8
98.02395	15.7
99.04430	3.7
100.03957	5.8
103.03944	0.9
103.07569	4.1
109.02863	25.4
112.07578	1.1
113.05996	4.6
115.03910	1.6
116.03442	19.4
117.03391	1.3
124.07572	23.0
127.03914	11.7
130.08600	1.4
131.07037	1.7
132.06511	8.4
137.02312	2.5
137.05957	1.4
138.05450	2.6
139.03902	0.8
142.08620	15.6
145.02841	2.0
145.04935	7.7
156.10190	2.1
158.04454	1.1
160.09685	6.6
162.07494	1.0
166.08620	4.3
172.09625	4.7
174.11234	6.0
177.05428	3.5
181.04887	2.5
184.09653	32.8
187.06026	0.9
198.07590	4.5
199.05988	3.6
202.10712	100.0
203.11357	2.9
211.09651	10.4
212.09088	1.0
216.08612	5.6
217.06995	4.1
220.11765	18.1
221.12251	0.9
226.10719	1.6
230.10197	12.0
234.09685	8.3
244.11748	3.3
262.12827	17.6
310.12805	10.1
323.89578	0.9
328.13867	40.0
329.14462	0.9
346.14923	9.4
364.15936	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	517.1702
Annotation	Iicoisoflavone A 7-O-glucoside
Peak:m/z	Relative Intensity
51.42163	0.9
55.01865	2.3
55.05498	1.1
60.44033	0.7
61.02911	1.0
64.78903	0.8
66.09792	1.0
67.05502	1.6
69.03423	22.8
69.07063	1.4
70.06581	3.4
71.63620	1.6
74.05392	1.0
76.70510	1.0
79.05484	1.5
81.03402	2.6
81.07046	3.1
82.03034	0.9
82.88645	0.9
83.08581	1.0
84.00856	0.9
84.08144	1.0
85.02888	2.9
87.05573	1.7
88.39959	0.8
89.03924	1.1
91.05473	6.7
92.47684	1.0
93.07013	1.3
94.04161	2.3
95.04967	1.7
95.08589	2.3
97.02909	5.4
97.06502	1.2
100.11224	2.0
103.05504	0.9
105.07039	3.1
107.08612	1.0
109.02878	1.9
109.06482	2.2
109.10110	1.3
111.04436	1.4
115.05436	2.0
117.03374	1.4
118.04177	0.9
119.04954	3.4
119.08556	1.7
122.03654	4.3
123.04419	1.7
123.17731	0.9
127.03913	8.8
130.04141	3.3
131.04897	1.7
133.06480	1.1
137.05956	98.2
143.04900	1.3
145.02803	2.2
145.06453	1.2
146.03609	2.3
146.74544	1.0
147.04401	6.8
149.05975	1.5
151.03893	3.2
151.07547	1.3
157.06474	1.0
158.03580	2.0
159.04411	1.0
161.05949	10.2
161.07031	1.1
162.06735	13.0
167.07088	2.3
173.06024	4.9
175.03931	2.3
175.07532	1.9
177.05544	6.7
177.06902	1.9
178.07758	1.5
181.06483	1.1
184.44115	0.9
185.06029	1.1
186.03114	3.2
189.05518	1.6
189.06976	4.4
194.07210	1.5
195.08034	1.3
201.05441	41.3
203.08469	1.0
205.06444	5.4
206.07277	6.0
207.06340	1.2
207.08098	1.1
210.14807	1.4
213.05481	5.0
213.08841	1.0
215.18378	1.5
217.06453	5.9
218.07190	2.7
219.08102	2.6
220.05185	1.8
221.06013	1.3
221.09642	1.5
222.06793	2.4
223.07491	2.3
227.06837	1.0
231.06366	6.8
233.05974	6.5
234.06712	19.7
235.07521	3.8
237.05386	2.5
237.09135	4.4
239.07050	1.3
241.08516	1.0
244.09647	1.3
245.05968	8.0
245.09837	1.4
246.06714	1.6
247.07552	2.7
248.08307	2.2
249.05435	1.7
249.09061	12.0
250.06253	4.9
251.06906	4.8
253.05017	1.0
254.05754	1.8
259.07513	2.2
261.05536	2.3
261.09024	2.0
262.06198	18.5
263.06973	6.2
264.07877	1.9
265.08569	7.9
265.27536	1.0
266.09418	2.4
267.06543	1.5
269.08035	18.8
269.10828	1.6
273.05374	6.7
274.06027	1.7
275.06982	1.3
276.07721	1.6
277.08569	28.3
278.05826	2.8
278.09183	1.9
279.06500	4.3
279.10184	0.8
281.08295	1.6
287.07104	1.8
290.05728	21.8
291.06677	1.6
291.10095	1.1
292.07300	6.0
293.08105	9.3
294.08878	4.4
295.09671	2.8
297.11185	3.1
303.06577	1.6
304.07248	2.3
305.08072	40.6
306.08768	3.3
306.26334	1.0
307.06046	3.3
307.09619	10.9
309.11124	4.2
310.08347	1.3
313.29480	1.2
319.06097	1.2
319.09604	4.3
322.08231	6.3
325.10672	34.2
337.10663	100.0
338.11075	2.6
343.11700	1.2
355.11703	13.4
367.11725	1.4
391.11649	1.5
393.13153	1.2
419.21481	1.0
435.14383	1.6
463.13928	1.3
469.14807	4.0
481.14807	4.3
487.16281	1.5
499.15906	2.3
508.76395	0.9
511.77536	1.2
517.10406	1.3
517.16901	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	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03931	2.8
53.73355	0.7
55.01848	1.4
55.05507	14.1
57.03429	5.8
57.07063	2.4
63.32009	0.8
65.03945	1.3
67.05499	33.7
69.07060	15.0
69.29681	10.2
71.04983	1.5
78.89451	0.8
79.05489	23.2
81.07047	36.9
83.04977	2.4
83.08614	10.4
85.06534	1.8
91.05468	19.4
93.07037	30.2
95.04965	3.0
95.08595	29.0
97.06522	3.4
97.10162	4.8
99.08103	1.3
105.02029	0.8
105.07023	26.7
107.08580	22.5
109.06512	2.6
109.10137	13.0
111.08064	2.5
113.00041	1.7
117.07009	9.4
119.08569	24.2
121.10138	17.9
123.08091	2.1
123.11707	4.1
125.09621	1.4
128.06204	1.1
129.06998	4.6
131.08563	16.7
133.10114	15.7
135.11678	9.5
137.09657	1.4
139.11211	1.0
143.08521	6.2
145.10112	18.0
147.11688	14.1
149.09612	1.9
149.13235	7.3
155.08519	1.7
157.10118	6.2
159.11685	11.5
161.13254	8.1
163.11201	1.1
163.14854	3.8
165.12735	1.1
169.10121	2.7
171.11632	6.9
173.13251	11.2
175.14828	4.6
181.10030	1.7
183.11687	3.2
185.13243	6.0
187.14815	4.8
189.16428	1.8
195.11690	1.4
197.13275	2.1
199.14850	3.8
201.16324	2.0
211.14772	2.2
213.14616	1.2
213.16406	2.7
217.16063	0.9
217.19670	1.0
221.15451	1.0
227.18088	1.6
229.19614	1.0
241.17928	2.3
241.19948	1.1
245.19008	1.0
259.20569	4.5
261.22113	1.0
273.22208	1.1
285.22122	1.7
287.23758	1.9
289.21704	1.3
299.23792	1.3
301.25281	2.0
305.21570	0.9
313.21808	0.8
313.25299	2.5
317.10742	1.0
317.24823	1.8
327.26907	1.9
329.24658	1.0
333.24161	1.6
335.25565	1.3
351.26364	1.2
405.29947	2.5
407.28268	1.2
407.33102	3.9
419.31607	1.9
425.34100	15.7
443.24893	0.8
443.35309	6.0
447.31277	1.1
449.22940	0.9
456.86435	0.8
459.34723	1.0
461.36316	1.9
481.36862	0.9
499.37888	19.3
503.45129	1.0
517.38879	100.0
518.39355	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	517.1333
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
56.76977	0.1
68.99780	0.1
69.03416	0.1
69.77454	0.3
69.77883	0.4
72.44054	0.1
98.94643	0.1
107.04935	1.6
107.78448	0.1
108.02074	0.2
118.03326	0.2
118.04141	3.1
123.04391	0.1
129.87482	0.1
133.02847	0.3
133.06465	0.4
136.01544	0.5
137.02315	1.2
147.04416	0.1
150.38275	0.1
152.06172	0.1
152.77507	0.1
153.06955	0.2
154.02594	1.2
156.05641	0.2
157.06445	0.1
158.07275	0.1
163.03900	0.3
170.07245	0.4
171.07999	0.1
181.06473	0.6
182.07227	0.5
183.08049	0.1
184.05219	0.1
195.08014	0.2
197.05916	1.5
198.06726	1.0
199.07562	0.1
200.04741	0.1
205.11952	0.1
209.06044	0.1
213.09068	6.1
225.05380	0.7
226.06218	3.9
226.08076	0.1
227.06688	0.2
237.05417	5.4
238.05925	0.2
239.06955	0.1
241.08571	0.4
251.07170	0.1
253.04915	4.9
254.05696	6.0
269.08035	100.0
270.08386	2.0
270.11142	0.1
271.35446	0.1
355.11856	0.1
471.20279	0.1
517.13153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58464	0.1
62.71026	0.1
66.93272	0.1
68.99767	0.1
69.03420	0.3
69.43112	1.1
73.08140	0.1
74.54392	0.1
76.01053	0.1
89.23702	0.1
91.05460	0.1
103.05453	0.2
107.04935	1.8
108.02086	0.3
118.04143	2.6
123.04392	0.1
133.02846	0.4
133.06490	0.4
136.01505	0.2
137.02345	0.9
137.05954	0.4
145.02806	0.3
147.04384	0.2
152.06110	0.2
154.02579	1.2
156.05690	0.3
163.03938	0.2
169.91727	0.1
170.07237	0.4
171.08043	0.1
177.05396	0.4
181.06407	0.7
182.07239	0.5
184.05185	0.1
185.09650	0.2
197.05902	1.4
198.06721	0.8
201.05444	0.6
213.09071	5.0
225.05470	0.6
226.06223	3.5
237.05426	5.1
241.08499	0.2
249.08960	0.2
253.04939	4.0
254.05701	5.6
255.06036	0.2
265.00455	0.1
269.08041	100.0
270.08408	2.5
277.08118	0.2
337.10617	0.3
355.11804	0.3
499.15860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05502	13.2
57.03424	3.0
57.07063	3.3
58.06593	2.7
59.04967	1.9
61.08635	1.0
61.20115	1.2
67.05499	13.3
69.03420	9.2
69.07068	3.9
69.32608	12.4
70.06587	4.9
71.04986	2.6
71.28638	1.1
72.08127	1.6
73.02906	1.7
79.05490	9.1
80.64427	1.2
81.03419	2.3
81.07048	22.5
82.06579	1.2
83.04957	8.1
83.08587	5.9
84.08133	43.5
85.02888	7.5
85.03345	1.3
85.06541	6.0
85.08448	1.7
86.06052	2.2
87.04462	5.0
91.05441	5.9
93.07025	11.1
95.04961	3.9
95.08603	8.6
97.02885	5.1
97.06526	4.6
98.09645	2.2
100.11255	1.6
101.06003	18.3
105.07022	11.6
107.08576	17.9
109.02876	2.1
109.06512	15.0
109.10140	27.3
111.04440	1.9
111.08076	1.1
113.06003	1.9
117.07005	1.7
119.08578	5.7
121.10122	12.9
123.08073	4.0
123.11694	12.8
125.09595	2.7
127.03915	3.7
127.12328	1.9
128.10699	21.0
128.12590	1.2
131.08557	3.9
133.10114	21.2
135.08061	3.6
135.11627	1.6
137.05983	6.3
137.13274	1.5
143.08560	1.2
144.06541	1.5
144.10251	1.9
145.10133	3.6
146.11732	15.4
147.04391	1.5
147.11682	3.7
149.13261	5.4
151.11137	6.0
153.09081	2.7
158.10963	1.5
163.03804	1.4
163.14905	1.2
165.12769	6.2
167.14343	2.9
173.11931	1.8
173.13222	8.4
177.05489	3.3
178.08574	1.9
191.14326	6.4
209.15340	10.7
218.14104	1.5
248.14999	2.7
250.18073	1.6
272.14905	4.5
284.02420	1.4
290.15961	29.2
306.15457	1.5
308.16992	33.2
498.19589	2.5
498.30414	1.9
510.96872	1.3
516.23218	4.8
516.31635	100.0
525.93292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65111	0.7
53.03937	3.3
55.01863	10.0
57.03414	2.0
57.07058	7.9
58.12849	1.0
59.04991	1.9
64.90530	1.0
67.05486	5.5
69.03419	9.5
69.07055	7.9
70.02940	6.8
70.06557	1.3
70.46011	1.9
70.46344	1.2
71.04994	1.1
72.04504	22.3
73.02906	11.4
74.02428	1.9
79.72917	1.0
81.03407	17.3
81.07030	1.2
83.04968	8.0
84.04491	1.6
85.02895	9.8
85.06527	8.3
86.09689	3.9
87.08094	3.4
90.05539	46.2
90.06110	2.2
95.04951	10.8
96.08107	2.9
97.02877	12.0
98.02401	18.6
99.04439	7.2
100.03963	5.4
103.03947	0.9
103.07563	4.0
109.02858	29.8
112.07567	1.7
113.05996	5.8
116.03437	28.0
118.04997	1.2
124.07573	27.4
127.03890	15.1
130.08665	1.8
131.07018	2.2
132.06548	10.4
132.10233	2.3
138.05481	3.3
142.08609	20.6
142.09677	1.1
145.04910	6.7
154.08620	1.1
158.04500	1.3
160.09602	6.4
163.03893	1.1
166.08614	4.0
169.04971	1.2
172.09633	5.0
174.11264	4.5
182.68687	1.1
184.09650	33.4
187.06003	1.9
198.07550	5.8
199.05966	5.4
202.10713	100.0
203.11272	4.2
211.09599	9.5
212.09082	1.2
213.26944	0.9
216.08664	4.4
217.07047	4.0
220.11775	27.8
226.10606	1.4
230.10214	12.9
233.38985	1.0
234.09698	10.2
243.00630	1.0
244.11740	2.9
262.12836	22.3
282.13528	1.7
310.12799	11.2
328.13846	73.4
329.14294	1.9
333.11597	1.6
346.14883	16.3
364.15964	31.8
368.15448	1.2
480.20572	1.4
498.21786	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	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01866	4.1
55.05507	20.2
57.03418	6.1
57.07062	3.6
65.03929	2.8
67.05497	61.9
69.07059	16.6
71.01333	2.1
71.04979	4.2
75.88481	1.3
79.05482	59.8
81.03416	4.6
81.07047	49.2
82.57085	1.5
83.04969	8.5
83.08609	5.7
85.06543	2.0
91.05475	34.7
91.18725	1.5
91.98631	1.3
93.07035	65.0
95.04945	7.1
95.08592	30.3
97.06513	8.9
97.10176	8.7
98.21436	2.2
99.08096	2.0
105.04504	2.8
105.07011	20.9
107.08582	36.9
109.06512	3.1
109.10145	9.3
111.08022	2.4
117.06995	13.4
119.08566	15.5
121.06498	2.0
121.10121	19.9
123.11713	2.3
125.09629	1.5
129.07005	4.5
131.08560	15.1
133.10110	15.6
135.08090	2.1
135.10643	2.8
135.11671	45.7
136.12105	1.3
141.06992	1.3
143.08554	3.7
145.10114	17.3
147.11638	6.3
149.13245	5.9
153.12720	1.9
155.08516	1.9
157.10139	4.4
158.27740	1.5
159.11687	9.1
161.13240	3.9
163.11186	4.4
169.10146	3.2
171.11679	3.2
173.13229	6.6
175.14879	1.5
181.10158	1.1
181.12190	7.1
183.11714	2.6
185.13242	2.8
187.14812	3.7
199.14909	2.6
200.65846	1.3
201.16373	1.3
209.13075	1.7
210.89444	1.5
211.14761	1.6
216.20580	1.3
223.15079	1.2
229.65945	2.0
243.21118	1.6
261.22095	4.8
330.17657	1.4
405.31345	3.1
423.32593	8.5
441.33725	3.6
497.36121	2.6
515.37274	100.0
516.37579	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	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01859	2.5
55.05278	1.7
55.05507	20.6
57.03428	7.7
57.07063	2.9
65.03915	4.0
67.05496	66.4
69.07061	17.8
71.04965	3.5
79.05485	61.5
81.03398	3.7
81.07047	50.6
81.07509	1.0
81.77393	1.4
83.04958	8.7
83.08612	8.8
85.06544	2.5
86.41428	1.2
91.05467	41.4
93.07033	64.9
95.04971	8.8
95.08589	30.4
97.06526	8.0
97.10163	8.8
99.08097	2.1
105.07007	20.7
107.08582	36.6
109.06530	2.6
109.10129	12.0
111.08109	1.9
117.07021	12.3
119.08566	19.1
121.06508	1.6
121.10123	22.4
123.11686	3.7
125.09644	1.5
129.06963	4.8
131.08569	16.4
132.69882	1.4
133.10106	12.6
135.08099	1.6
135.11674	44.1
143.08563	8.6
145.10103	18.7
147.11649	7.5
149.13251	4.2
155.08502	2.9
157.10187	6.8
159.11722	10.0
161.13261	3.0
163.11145	5.9
169.10112	3.4
171.11652	5.0
173.13271	6.4
175.14740	2.1
180.24326	1.6
181.09969	2.1
181.12277	3.5
183.11676	3.3
185.13229	4.4
187.14778	3.9
197.13248	2.2
199.14877	4.4
201.16377	1.5
229.43300	1.7
243.73332	1.4
244.45992	1.3
246.70473	1.4
261.22098	3.1
299.23532	2.1
405.31757	1.5
423.32697	8.4
441.33594	3.5
459.34827	1.7
497.36087	3.2
515.37256	100.0
516.37549	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	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
55.01856	1.3
55.05501	18.0
57.03423	7.1
57.07059	2.2
65.03914	2.2
67.05495	55.5
69.07058	15.5
69.95999	6.5
71.01309	1.6
71.04970	3.6
79.05481	51.7
81.03396	3.2
81.07044	41.0
83.04974	8.9
83.08600	6.4
84.21759	1.2
85.06531	3.6
91.05466	28.5
93.07030	57.8
94.07831	1.3
95.04974	8.0
95.08589	28.5
97.06512	8.6
97.10146	5.3
105.07015	17.6
107.04948	1.5
107.08581	30.0
109.06507	2.2
109.10148	11.4
111.08102	2.5
111.20219	1.2
117.06984	10.4
119.08558	18.2
121.06459	1.8
121.10129	16.1
123.08115	1.8
123.11669	2.6
129.06963	5.7
130.07797	1.3
131.08556	14.4
133.10115	12.2
135.08102	1.2
135.11674	36.4
137.09590	1.5
141.06934	1.9
142.07704	1.9
143.08531	6.5
145.10106	15.6
147.11682	6.3
149.13220	3.5
155.08530	2.6
157.10120	5.3
159.11662	10.6
161.13277	2.3
163.11192	3.9
167.64093	1.2
169.10153	3.3
171.11708	5.1
173.13249	5.0
181.12219	3.5
183.11694	2.7
185.13234	5.6
187.14799	3.2
195.11700	1.6
197.13297	2.4
199.14778	1.8
211.14882	1.9
213.16281	1.5
225.16400	1.6
243.20976	1.6
261.22113	3.1
395.33118	1.5
405.31628	2.9
423.32526	13.1
441.33511	3.0
497.36285	3.5
515.37262	100.0
516.37726	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	515.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.1
55.01868	3.9
55.05505	21.6
57.03419	9.9
57.07054	7.5
61.02920	5.4
67.05148	6.4
67.05498	100.0
69.03403	12.8
69.07063	21.3
71.04397	8.2
71.04980	6.7
77.32495	4.2
79.05486	64.6
81.03394	8.8
81.07047	93.1
83.04960	8.8
83.08592	9.4
85.02899	4.8
85.06531	5.8
90.93002	3.5
91.05474	45.8
93.07029	72.1
95.04961	9.8
95.08590	61.2
97.02901	5.5
97.06516	4.4
97.10157	9.8
105.07017	37.9
107.08583	45.2
109.06492	5.6
109.10139	36.5
111.08060	4.3
114.35194	3.3
117.06977	17.6
117.09975	3.6
119.08562	34.2
121.06471	4.3
121.10126	51.1
121.43176	3.6
123.11688	18.0
124.03934	6.2
129.06992	5.9
131.08546	31.9
133.06403	3.8
133.10109	24.2
135.08029	7.2
135.11662	25.4
137.13210	4.6
143.08559	11.9
145.10100	24.8
147.11655	24.5
149.13187	18.0
157.10178	6.1
159.11685	20.0
161.13277	13.3
161.93880	3.7
163.11349	4.1
163.14771	10.5
165.12746	5.2
170.33989	3.8
171.11710	8.0
173.13281	22.5
175.14830	7.1
177.09050	3.7
179.14331	4.6
185.13142	4.8
187.11214	4.6
187.14746	12.8
201.16248	5.8
206.16039	3.4
210.40433	3.5
233.22607	4.2
243.21056	21.2
250.11438	3.7
261.22116	70.3
262.49719	4.1
273.21970	3.6
277.21677	3.4
303.23514	4.0
335.25757	11.4
351.60443	3.9
353.26801	14.9
369.24414	5.5
405.26154	5.5
497.30511	4.7
515.37463	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.2
55.05505	22.5
57.03425	13.4
57.07062	5.5
61.02911	7.1
67.05498	95.2
69.03420	10.5
69.07059	21.7
70.00780	11.5
70.01195	7.9
71.04975	4.2
73.02916	3.5
79.05488	54.8
81.03407	6.4
81.07049	100.0
83.08612	13.3
85.02892	8.5
85.06530	4.3
91.05470	35.4
93.07034	72.8
95.04951	10.3
95.08599	81.4
97.02884	9.4
97.06495	8.0
97.10141	3.9
98.20795	6.3
99.08077	6.5
105.06992	27.2
107.08578	44.5
109.06498	8.5
109.10129	37.6
109.84058	4.1
111.08035	3.7
117.07022	12.8
119.08572	29.3
121.10107	34.6
123.08044	8.6
123.11658	16.6
129.06944	9.4
131.08556	27.5
133.10107	20.7
135.08043	5.6
135.11678	29.8
137.13231	8.7
143.08540	8.6
145.06456	4.0
145.10123	22.4
147.11694	12.9
149.13219	22.7
155.08495	4.3
155.16588	3.5
157.10136	5.7
159.11670	14.4
161.13234	9.2
163.11234	4.1
163.14819	10.3
173.13206	19.4
175.14812	5.0
177.16371	4.6
185.13280	5.1
187.14839	11.2
189.82857	3.9
205.15842	3.5
215.42896	3.9
243.21135	18.3
261.22125	58.6
262.22409	3.4
279.23132	4.6
292.95197	3.7
303.23187	6.0
335.25717	21.7
345.24231	3.6
353.26932	9.8
369.24261	5.5
442.27081	3.8
479.29651	4.0
497.31152	6.9
515.37219	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54597	4.6
53.03927	6.7
55.05501	24.4
57.03418	10.4
61.02898	4.9
67.05154	6.0
67.05492	84.0
69.03423	23.2
69.07053	24.2
69.85271	24.8
69.85689	8.2
79.05484	60.0
79.91648	4.7
81.03403	14.6
81.07044	100.0
83.04979	6.3
83.08607	18.2
83.92220	5.4
85.02899	15.0
91.05466	39.0
93.07025	69.8
95.04945	16.3
95.08588	74.4
97.02885	13.4
97.06511	7.9
99.04470	5.1
105.07011	46.9
107.04942	5.2
107.08588	48.2
109.06482	10.9
109.10146	34.9
111.04357	6.0
111.08057	8.2
117.07008	20.8
119.08502	27.5
121.06443	5.8
121.10129	35.2
122.32908	4.7
123.08073	5.7
123.11679	15.3
125.09603	7.5
127.03866	5.3
129.00401	4.7
129.06976	11.5
131.08543	32.2
133.10152	30.3
135.08047	9.6
135.11664	22.9
137.97440	4.7
143.08536	10.6
145.10114	31.4
147.11656	19.2
149.09508	5.1
149.13226	13.2
150.91563	4.8
155.08560	5.8
157.10129	5.7
159.11703	26.2
161.09648	7.1
161.13255	15.9
163.11069	5.9
163.14790	8.7
165.09148	5.6
165.12791	5.8
169.10066	5.6
171.11667	11.3
173.13206	27.2
177.12764	6.1
179.08546	5.7
183.11658	6.7
185.13239	6.6
187.14804	6.6
199.14972	6.2
201.16467	6.5
233.22624	5.5
243.21101	16.7
261.22144	39.8
335.25763	8.8
345.24271	10.0
351.23221	6.8
353.26794	15.0
369.24197	7.3
405.26428	5.9
419.28033	7.3
477.70392	5.1
479.29550	6.8
497.30734	9.4
515.37549	11.5
521.44727	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01862	6.1
55.05506	26.8
57.03414	12.8
57.07063	6.2
61.02911	9.2
61.69971	4.6
67.05151	5.9
67.05494	91.7
69.03407	9.8
69.07068	25.5
69.74319	4.3
70.36327	3.5
71.61887	6.5
73.02869	4.3
78.06521	4.0
79.05482	64.0
81.03401	15.5
81.06556	5.1
81.07043	100.0
83.08602	17.8
85.02877	14.6
85.06508	5.6
86.23015	4.0
91.05466	45.0
93.07033	61.3
95.04947	19.4
95.08022	5.6
95.08595	76.3
97.02887	8.2
97.06541	6.9
97.10141	6.5
99.08070	4.3
103.03945	4.7
105.07008	33.9
107.04918	5.7
107.08593	42.6
109.06509	9.7
109.10133	30.7
111.08035	5.9
117.06978	17.7
119.08545	25.8
119.58253	3.9
121.10124	32.0
123.04283	4.3
123.08060	10.0
123.11699	20.4
124.21198	3.9
126.18587	4.0
126.98666	3.6
129.05418	6.2
129.06934	9.7
131.08542	25.7
133.10092	24.1
135.11632	19.5
137.13228	7.4
139.11128	5.9
143.08501	9.2
145.10110	19.2
145.64955	4.4
147.11713	8.7
149.09573	7.8
149.13214	14.9
157.10136	7.4
159.11674	16.1
161.13246	11.5
163.14809	8.9
169.10068	5.6
171.11734	7.2
173.13220	16.5
175.11082	5.4
176.50307	4.7
185.13144	8.7
187.14740	11.2
219.13727	4.0
243.21072	16.2
261.22147	49.3
273.18301	4.1
279.23074	7.2
280.87933	5.1
301.21448	8.5
303.23141	6.6
324.46609	3.8
335.25699	22.9
345.24506	4.9
353.26825	12.8
369.24246	7.9
377.26651	4.2
409.11771	4.3
419.27682	9.9
461.28659	7.1
479.29874	5.4
497.31046	8.6
515.34601	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	515.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00800	1.6
51.31165	1.6
55.01872	3.3
55.05492	3.0
57.03418	2.4
65.03955	2.7
66.56718	2.0
67.05490	5.4
69.03425	11.7
70.28429	3.3
70.28831	4.7
73.02892	2.2
79.05465	3.8
81.07025	7.0
83.04971	2.4
83.27590	1.7
84.04481	2.2
84.08134	2.1
85.02905	4.1
86.09761	1.7
91.05470	9.4
93.07039	20.0
95.01286	2.4
95.04962	17.6
97.02900	4.4
97.06480	3.7
105.07013	23.6
107.04944	2.8
107.08567	4.0
109.06514	17.6
110.07160	2.3
111.04418	6.4
111.08069	2.2
113.02305	1.8
117.44035	1.9
119.08571	18.3
121.02874	2.2
121.06530	8.7
123.08058	4.4
129.07080	2.1
131.08525	6.4
133.10162	10.5
135.08055	2.8
137.05974	6.1
142.07736	2.9
143.08546	6.7
145.10068	9.6
146.07237	3.3
147.04404	4.3
147.08052	8.9
147.11685	6.0
149.05933	2.0
150.70364	2.0
151.07556	2.6
155.08504	3.1
157.10141	14.3
158.07175	3.8
159.08040	8.0
159.11694	8.2
161.05939	2.3
161.09605	23.2
171.08025	2.6
171.11684	2.5
173.09590	4.2
173.13272	5.4
175.07516	6.8
175.11203	11.6
177.05521	2.0
177.09125	3.5
183.11607	2.2
185.09668	2.8
185.13280	3.5
187.11137	3.9
189.09050	6.3
201.12708	6.5
203.10672	17.4
205.12190	2.4
211.11148	5.8
217.12291	3.9
219.13795	7.9
222.05167	1.9
229.12209	8.7
247.13274	100.0
321.16910	4.2
323.09180	2.0
339.17896	4.4
423.16495	5.4
498.17349	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	515.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08068	2.1
55.01840	2.4
57.03416	3.3
67.01557	2.2
67.05501	2.8
69.03406	6.9
69.07046	3.6
70.06586	2.8
70.23684	9.9
79.05478	6.3
79.25879	2.1
80.70741	2.1
81.03407	9.6
81.07025	4.3
82.03755	4.3
83.04964	12.7
83.08607	3.0
84.08089	3.3
85.02895	8.1
85.06512	2.7
86.09722	3.2
91.05468	7.9
93.07015	10.8
95.01313	4.0
95.04961	9.0
97.02876	6.3
98.57013	2.1
105.07040	5.6
107.08588	14.2
109.02869	8.9
109.06496	5.3
119.07725	2.0
119.08563	7.7
120.66261	2.1
121.06503	18.6
123.04392	2.2
128.57133	2.4
129.07034	2.1
131.08563	7.9
133.10092	5.4
135.08044	27.8
137.05977	4.7
141.01790	7.7
143.08501	2.9
144.09357	3.6
145.10159	2.5
146.24364	2.4
147.08061	3.8
149.09628	4.1
153.09125	2.8
158.10861	6.2
159.08034	5.1
159.11725	11.9
163.07530	9.8
170.10869	2.7
172.08784	2.8
173.09586	10.8
173.13220	18.0
175.07544	2.6
177.05585	3.4
183.11694	4.5
185.13176	2.7
186.10378	10.5
187.11189	41.8
189.09048	4.0
191.06998	55.2
193.12114	2.9
194.12518	5.1
201.12689	31.9
205.12193	14.3
211.11230	5.9
215.05635	2.6
219.13806	9.8
221.80382	2.5
229.12230	53.7
247.13283	100.0
248.13603	2.9
267.15894	3.7
268.16074	5.2
285.17157	3.1
286.17325	8.6
303.15823	3.8
321.16940	45.4
323.21149	2.3
497.12421	2.5
497.19452	7.8
515.20837	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	514.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	5.5
55.05505	8.7
57.03433	6.1
67.05487	15.7
69.03426	7.5
70.06567	7.3
71.04981	4.6
71.60474	6.2
79.05479	11.7
81.03403	100.0
81.07043	14.1
82.06556	3.3
83.04969	8.3
83.08627	19.6
83.09020	3.3
85.02888	8.1
85.14539	3.7
86.09688	3.9
91.05451	19.4
93.07048	9.6
95.04950	38.0
95.08594	4.5
97.02879	9.1
97.06483	7.4
105.07026	11.9
107.04958	10.9
107.08562	4.5
111.08047	12.8
119.08566	14.5
121.10132	11.0
123.04416	5.8
124.03945	15.1
126.05566	3.9
127.03825	3.7
129.06982	9.6
131.08545	11.9
133.10081	7.2
135.08002	4.1
135.11588	4.2
136.06029	3.6
137.05936	7.6
137.90636	3.4
142.07739	3.8
145.10123	5.2
145.62650	3.3
147.04399	6.2
147.08041	3.3
147.11678	11.0
149.09567	7.8
157.10106	11.6
175.11153	13.3
177.05463	9.6
179.07143	3.4
193.12230	84.5
211.13286	6.9
235.13249	10.2
250.21062	3.6
267.15878	45.8
277.14163	4.0
285.16904	90.2
287.09537	4.8
288.09573	4.2
299.18439	4.2
301.14243	9.9
309.16898	6.9
319.15451	10.2
337.16483	9.3
361.10706	3.7
497.18588	4.2
514.13171	4.3
514.20776	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	513.3572
Annotation	Acridocarpusic acid B
Peak:m/z	Relative Intensity
55.05497	2.6
57.07055	1.1
57.70573	0.5
67.05506	2.9
69.07060	4.4
69.31252	6.1
70.06568	0.7
76.50343	0.6
79.05478	2.1
81.07057	6.9
83.04985	3.3
83.08600	1.7
87.04440	1.0
88.07579	0.8
88.82361	0.6
89.06046	3.8
91.05454	3.2
93.07040	6.6
95.04935	1.0
95.08604	10.2
97.06514	1.7
97.10147	0.9
101.96163	0.6
102.09125	0.8
105.07021	9.9
107.08582	9.1
109.06505	1.2
109.10125	4.5
111.08054	0.9
117.07032	1.2
119.08569	14.3
121.06482	0.7
121.10147	6.7
123.08067	1.1
123.11697	2.4
129.07004	0.9
131.08557	2.6
133.08603	1.9
133.10118	6.6
135.08000	0.8
135.11682	6.6
137.09630	0.7
137.13217	1.4
139.11163	1.0
141.06979	1.0
143.08540	2.6
145.10130	4.0
147.07982	1.0
147.11679	6.1
149.09615	1.3
149.13214	1.6
153.09268	0.7
155.08557	2.5
157.10069	3.7
159.08070	1.0
159.11642	3.0
161.09599	1.8
161.13182	3.6
163.14824	1.8
169.10103	1.8
171.11687	2.0
173.09735	0.7
173.13242	3.6
175.11098	1.4
175.14809	10.1
177.11232	0.7
177.16379	2.2
182.10886	0.7
183.11681	1.8
185.13226	1.7
187.11073	0.6
187.14806	4.4
189.12743	1.2
189.16374	22.9
191.17915	1.7
197.13206	3.7
199.14803	2.3
201.12743	1.1
201.16380	2.1
207.17433	1.2
211.14761	1.2
213.16371	1.8
215.14281	3.3
215.17909	0.6
217.15858	9.9
225.16486	0.6
227.14560	0.5
227.17943	2.1
229.15813	1.0
231.17455	0.7
235.16878	6.6
241.19572	0.8
243.21021	0.7
245.19040	1.2
253.19461	3.2
256.26334	1.9
257.18939	1.1
257.26605	1.0
261.14853	0.8
267.20972	0.7
271.20508	7.9
277.17987	1.8
283.26315	1.4
284.26678	0.7
317.21185	2.0
327.20035	1.0
328.20395	1.5
389.31940	0.9
407.33292	3.8
435.32565	2.3
453.33633	1.1
467.35092	5.8
513.35718	100.0
513.50360	5.5
514.36279	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	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.4
51.19846	2.3
53.03924	3.9
55.01858	2.9
55.05492	6.8
57.03418	6.2
59.60704	2.2
61.02909	4.5
67.05507	12.2
68.55891	3.0
69.03404	8.7
69.07055	6.6
70.06562	5.3
71.04961	4.0
78.08138	2.9
79.05489	14.5
81.03407	100.0
81.07020	11.2
83.04977	14.9
83.08601	25.5
84.08118	8.5
85.02882	10.0
86.06047	3.7
86.09668	2.6
91.05469	19.2
93.07027	16.3
95.01281	2.6
95.04955	31.9
95.08581	5.9
97.02874	20.2
97.06483	4.0
97.41385	2.4
101.05961	2.9
103.05495	2.6
105.07000	13.9
107.04922	9.0
107.08573	15.6
108.08101	3.1
109.02859	4.9
109.06471	6.9
111.04420	4.1
111.07355	2.6
111.08071	12.9
113.06042	2.9
115.05439	2.9
117.06907	3.2
119.08562	15.7
121.06497	16.6
121.10131	6.2
121.79291	2.4
123.04339	2.8
123.08109	3.3
124.03963	4.9
126.05510	4.3
127.03889	4.6
128.07083	2.4
129.06972	7.7
131.08514	9.5
133.06473	4.7
133.10121	9.7
135.08029	21.4
137.02335	6.5
137.05943	2.8
141.01796	5.4
142.07671	2.6
145.02815	3.7
145.10088	4.6
147.04411	4.6
147.08047	6.6
147.11649	10.0
149.09596	8.8
149.56435	2.9
155.08540	2.5
157.10155	12.2
159.08025	3.1
159.11644	6.8
161.09509	3.0
163.03876	4.9
163.07495	9.7
163.11214	3.3
165.12698	4.2
173.09575	6.0
173.13264	18.0
175.07553	4.0
175.11240	14.1
177.05429	9.4
186.10388	5.9
187.11153	26.4
190.44319	2.4
191.07011	25.9
193.12221	75.7
201.12703	22.9
202.10672	4.0
205.12209	7.9
211.11240	3.1
211.13263	6.9
219.13805	6.7
220.11960	2.9
229.12166	38.0
247.13271	55.0
249.14732	2.9
267.15891	52.9
277.04092	2.6
277.06970	4.3
285.16934	89.1
309.16794	8.9
317.04694	2.7
321.16968	29.6
322.04749	3.2
340.54059	2.9
345.09824	2.8
409.41693	2.8
497.19196	5.3
514.20563	16.8
515.20459	3.9
544.86304	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01862	3.3
55.05503	14.2
57.03427	6.9
57.07046	3.1
61.02923	12.1
65.03926	2.3
67.05493	36.6
69.03403	6.9
69.07055	13.3
69.91322	15.0
71.04979	4.0
73.02879	4.6
74.93045	2.2
79.05474	35.3
81.03397	9.8
81.07043	40.9
83.04964	4.9
83.08604	6.4
84.39745	2.4
85.02888	13.4
85.06516	2.7
89.03901	11.6
91.03973	3.6
91.05469	45.7
93.07026	47.1
95.04946	8.8
95.08591	27.8
97.02896	14.7
97.06528	3.8
97.10152	3.9
99.04440	3.7
99.08084	3.6
99.42006	2.3
105.07012	41.9
107.04893	2.4
107.08588	24.3
109.06464	2.9
109.10144	11.7
111.04473	3.7
111.08083	3.5
114.13321	2.4
114.30917	2.3
115.03934	2.6
115.05437	10.6
117.03362	27.0
117.07002	67.3
119.08566	43.0
121.10115	25.2
129.07013	15.9
131.08545	21.8
133.06467	3.1
133.10110	35.5
134.03604	2.9
135.04387	2.7
135.11693	21.8
137.05937	4.1
137.09474	2.3
143.08519	14.8
145.02823	56.2
145.10094	32.0
147.11665	38.1
149.05937	10.0
149.13293	12.4
155.08513	4.7
157.10141	13.2
159.08072	3.8
159.11697	30.7
161.05956	2.9
161.13237	24.2
163.11078	2.5
163.14787	4.5
163.44884	2.8
165.28806	2.3
167.08539	2.9
169.10092	8.7
171.07991	2.8
171.11656	16.2
173.13271	19.8
175.14825	10.2
177.05434	100.0
178.05750	3.9
178.07561	2.5
181.10030	3.8
183.11670	6.2
185.13158	14.2
187.11194	3.9
187.14774	6.5
195.06514	17.9
197.13234	3.7
199.14854	5.5
213.16403	3.9
215.07016	4.6
215.14224	2.7
225.12683	3.6
231.21057	3.1
241.19466	20.3
254.37907	2.5
257.18942	9.9
259.20541	51.9
271.20551	6.8
275.20016	3.9
277.21649	5.6
287.20038	3.4
301.21625	9.3
312.58264	2.2
313.21527	5.8
315.13760	3.5
319.13257	5.2
339.23056	3.1
340.98361	2.7
349.23929	3.2
351.25275	52.3
357.24420	2.6
363.25378	3.1
367.22757	13.8
385.23651	17.0
389.13824	9.9
403.24750	19.6
421.25760	31.7
485.65973	2.7
495.29483	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05505	11.7
57.03411	6.0
61.02921	15.9
61.46094	1.7
65.03909	2.3
67.05493	23.0
69.03404	4.2
69.07055	9.9
71.03315	5.2
71.04984	2.5
73.02911	4.6
79.05488	26.3
81.03420	2.9
81.07039	32.2
83.08616	3.7
85.02916	13.2
91.03932	4.1
91.05465	24.1
93.07027	42.4
95.04944	6.8
95.08592	20.4
95.14342	1.6
97.02863	7.8
97.06499	2.0
97.10149	2.2
99.08052	2.5
105.07018	28.2
107.07919	2.9
107.08578	26.1
109.10137	10.7
117.07030	6.3
119.08565	28.8
121.06500	2.0
121.10136	22.8
121.34271	1.8
123.08072	2.1
129.06975	4.6
131.08524	16.3
133.10112	25.0
135.08051	1.8
135.11667	20.3
137.09637	2.1
143.08514	5.5
145.10106	14.4
147.11667	25.1
149.13248	15.2
153.05473	5.1
155.08502	3.2
156.79265	1.8
157.10066	5.5
159.08009	2.1
159.11655	14.3
161.13229	18.2
161.80165	2.0
163.14816	4.6
167.08661	1.9
171.11659	7.0
173.13208	10.8
175.14792	9.9
179.14273	5.3
185.13245	7.0
187.14792	3.7
189.12823	2.2
199.14807	4.7
213.16298	4.0
231.21040	4.2
241.19456	18.0
259.20532	43.0
260.20969	2.0
277.21637	10.7
333.24185	5.6
335.78439	2.5
349.23669	4.4
351.25266	100.0
352.25574	2.8
361.23621	3.3
363.25180	3.1
367.22681	2.5
388.13748	2.4
409.13196	2.1
441.26297	4.2
459.27209	3.0
492.68207	2.1
495.29248	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.01866	2.9
55.05502	15.8
57.03411	7.5
57.07058	2.8
57.60138	1.9
61.02918	21.5
61.27999	2.0
67.05489	34.6
69.03412	8.1
69.07045	9.3
70.23550	11.7
71.04989	4.0
73.02909	7.0
79.05480	36.6
80.88509	2.0
81.03408	7.6
81.07040	29.3
83.04964	3.3
83.08593	8.2
85.02893	18.6
91.03941	6.4
91.05461	34.2
93.07034	44.3
95.04934	8.0
95.08593	23.7
97.02871	13.6
97.06518	10.6
99.08099	3.5
103.05509	2.7
105.07015	40.0
107.08578	23.9
109.06516	6.4
109.10127	9.7
116.06097	2.6
117.06964	15.5
119.08553	34.8
121.06495	3.8
121.10113	23.2
123.04398	2.8
123.08101	4.3
123.11632	2.3
125.09626	2.2
127.03972	3.9
129.07007	10.7
131.08534	19.6
133.10110	27.4
135.08026	3.2
135.11647	15.7
137.02379	3.7
137.09647	2.9
139.11229	1.9
141.06955	3.3
143.08542	8.8
145.02824	2.9
145.04915	3.2
145.06404	2.3
145.10109	18.6
147.11646	23.3
149.09627	3.8
149.13246	13.5
155.08522	2.3
157.10107	10.9
159.11670	18.8
161.09715	2.8
161.13249	20.1
163.11124	2.5
163.14841	8.2
169.10133	4.1
171.07930	2.5
171.11661	12.7
173.13268	11.6
175.11107	4.4
175.14807	11.5
177.05458	8.2
183.11746	3.0
185.13235	10.5
187.04057	2.9
187.14767	6.7
195.11710	2.9
199.14754	5.1
211.14911	2.2
213.16508	2.6
231.17490	2.4
235.14787	2.3
241.19460	21.4
257.18976	3.6
259.20544	49.3
271.20593	2.9
277.21579	3.6
301.21561	4.3
321.07404	2.8
325.06958	3.9
349.23770	5.6
350.90353	2.1
351.12192	9.5
351.25253	100.0
363.25201	4.3
365.26962	2.7
367.23001	5.5
378.30652	2.6
383.11115	5.6
385.23712	4.1
389.13495	2.2
403.24939	2.3
417.26273	3.3
429.26431	3.3
441.26202	6.1
459.27063	4.7
477.28415	3.5
478.84412	2.3
495.29340	8.5
513.28394	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.05486	16.2
57.07045	6.0
61.02900	11.0
65.23344	6.8
67.05498	49.6
69.03400	11.0
69.07051	14.4
71.04981	7.7
71.62073	12.0
79.05488	34.1
81.03401	12.0
81.07050	54.1
83.04945	11.2
83.08595	13.8
85.02883	12.7
87.69545	6.2
91.03938	9.4
91.05485	48.8
93.07030	54.7
95.04932	15.6
95.08614	32.4
96.32985	6.4
97.02859	15.2
97.06512	14.1
105.07024	29.4
107.04948	7.7
107.08577	26.6
107.62225	6.4
109.06506	13.6
109.10126	28.5
117.07037	17.6
119.08611	35.1
119.42655	6.3
120.39194	6.1
121.10088	31.8
125.09591	7.1
129.05470	9.9
129.07018	9.2
131.08533	18.6
133.10094	27.9
135.08032	8.1
135.11674	26.0
145.10100	21.3
147.11642	24.2
149.09641	6.9
149.13274	20.5
155.08583	7.9
157.10127	9.3
159.11671	11.0
161.13246	14.5
163.11154	9.1
167.06979	8.4
171.11734	12.6
171.84525	7.3
173.05968	6.8
200.00479	6.4
215.40208	6.2
236.21138	6.8
259.20575	41.5
268.27774	6.7
277.21570	7.3
284.15979	8.8
333.24097	9.0
351.25223	100.0
478.28799	8.1
513.18005	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	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03927	2.8
55.01863	2.1
55.05512	10.9
57.03421	7.5
61.02921	13.4
67.05500	27.4
69.03426	6.3
69.07059	10.6
69.47749	13.6
71.04978	3.3
73.02916	6.2
79.05485	35.2
81.03403	5.7
81.06599	3.5
81.07049	37.7
83.04958	2.8
83.08609	6.5
85.02898	14.7
85.06511	4.5
87.91920	1.8
91.03941	6.6
91.05467	37.2
91.62369	1.5
93.07031	53.5
95.04975	4.5
95.08598	24.7
97.02883	11.8
97.06515	4.9
99.08095	1.8
105.07021	34.7
107.08578	26.5
109.06526	3.5
109.10139	6.5
117.07000	7.8
119.08565	32.0
121.10136	25.6
128.06189	2.4
129.06982	3.8
131.08565	19.1
133.10112	27.2
135.11678	21.7
137.09630	2.1
143.08542	7.8
145.10117	19.4
147.08032	3.3
147.11679	24.0
149.13249	14.9
151.11194	2.5
155.08604	3.1
157.10150	8.2
159.11678	12.0
161.13235	23.8
163.11119	2.9
163.14830	6.3
169.10127	3.0
171.11638	13.4
173.13211	10.6
175.14825	9.1
177.12746	2.6
185.13280	6.8
187.14838	2.9
199.14833	4.5
231.21097	3.9
241.19467	24.7
257.19125	2.0
259.20554	50.5
271.20584	2.1
277.21597	8.5
301.21408	2.0
333.24173	6.9
349.23709	4.3
351.25281	100.0
363.25153	2.5
367.22998	3.4
375.25259	3.4
385.23782	3.2
441.26395	6.2
459.27298	4.4
477.28262	5.6
495.29443	6.2
513.30103	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	513.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.6
57.03400	1.0
58.99850	1.1
61.02896	1.1
61.90945	0.9
69.03399	3.8
71.58621	2.3
72.77576	1.1
77.00879	1.2
81.03408	1.1
82.99844	2.6
85.02901	7.8
92.52048	1.2
94.99823	1.3
97.02855	3.9
98.97552	4.3
100.07574	1.7
101.00861	12.7
103.02436	5.6
109.02827	2.1
110.20228	0.9
113.00846	2.9
115.03852	1.3
116.98600	1.5
117.03994	2.0
119.01907	30.3
120.01979	1.2
121.01591	1.2
121.03467	2.9
127.02367	5.7
127.03870	3.5
128.98573	1.5
129.00264	1.2
129.03873	1.5
131.01868	13.5
133.03427	3.5
135.05009	2.6
137.02925	3.2
138.05479	2.8
139.02425	2.1
142.03490	1.2
143.00166	1.4
143.01874	26.5
145.01659	1.3
145.02388	1.8
145.03450	31.5
145.04684	1.2
146.08073	1.0
147.01399	6.2
147.03143	1.3
149.02907	2.5
155.01871	21.8
157.03447	13.2
158.99557	1.1
159.05069	2.6
161.02940	39.2
162.03044	1.4
163.04529	6.4
165.02400	3.1
167.01878	10.8
169.03412	8.0
171.01334	14.2
171.04933	5.5
173.02943	32.0
175.02795	1.3
175.04480	3.5
177.00560	1.2
179.01819	4.0
183.01378	2.9
185.02940	52.0
185.06482	3.0
187.02856	2.1
187.04498	12.8
189.00795	1.4
189.02431	25.8
189.05983	1.4
190.32240	1.3
191.03868	1.6
196.04425	1.5
197.02936	20.4
197.04674	2.0
199.04503	2.8
201.00717	1.3
201.02420	5.1
202.05165	1.3
203.03964	16.9
207.03479	9.9
208.04485	1.5
209.03014	2.7
211.04607	1.9
212.04010	1.0
213.02422	5.0
215.03996	12.2
216.08461	1.0
217.01819	2.0
217.05566	1.3
219.01715	2.0
219.06946	1.3
221.04979	3.4
225.02377	1.6
227.03958	10.5
230.04999	1.2
230.06966	1.6
231.03465	81.1
231.06799	5.3
232.03493	2.0
237.02711	1.4
239.04405	1.6
243.03500	13.1
245.05043	100.0
246.05212	6.4
247.04898	3.0
248.08214	1.4
249.02638	1.1
249.04561	11.4
249.08220	1.2
251.07822	1.5
255.03537	3.8
257.05008	8.0
260.08182	1.4
261.04550	13.9
263.06125	9.8
271.06360	1.0
273.04413	3.1
273.07999	1.7
275.06070	15.8
275.08786	2.0
285.04514	1.2
286.08069	1.0
291.05618	11.7
293.07031	4.1
301.04089	1.4
301.65302	1.2
305.07101	11.3
315.05548	3.1
321.10300	3.7
324.11542	1.3
333.06573	19.2
335.08203	3.7
337.09555	2.5
351.07587	6.9
365.09274	8.3
367.10510	1.5
381.13107	1.1
497.26486	1.1
513.12238	35.2
534.08844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01871	3.9
55.05494	9.7
57.03425	4.9
59.33047	2.0
65.21919	1.9
67.05489	7.8
69.03432	12.7
70.03915	9.4
70.06571	4.0
71.01349	4.1
72.08134	2.3
73.02895	4.4
75.04474	3.4
79.05482	22.0
81.07047	50.5
83.04961	5.0
84.04490	16.9
85.02883	16.3
86.09703	2.8
91.05470	9.5
93.07022	8.0
95.01333	10.2
95.04949	10.1
95.08575	5.2
97.02869	6.7
104.07735	2.3
105.07001	11.9
107.04948	4.5
107.08600	4.1
109.06507	56.5
111.04437	16.0
113.02324	3.2
117.07022	4.4
119.06116	2.6
119.08553	15.7
121.06495	20.6
122.38268	2.0
123.08050	34.5
127.07515	9.3
129.07021	3.0
130.04984	15.8
131.03392	4.4
131.04823	2.1
131.08549	4.6
132.09122	2.1
133.06479	6.0
133.10094	7.3
135.04393	21.8
135.08055	2.4
137.05968	36.3
141.01805	16.6
141.06921	2.5
142.07747	4.7
143.08569	5.9
145.06519	3.0
145.10106	3.7
147.04427	3.3
147.07628	18.6
147.11673	6.4
148.06024	3.2
149.05974	5.0
151.07487	5.4
156.09311	2.9
157.10103	9.2
159.02829	3.8
159.08018	17.6
159.11678	4.0
161.05983	8.3
161.09624	7.7
161.13312	2.6
163.07562	4.7
165.09117	42.2
166.07732	2.7
171.11667	5.9
173.09647	3.7
175.07549	5.5
175.11128	13.4
181.10086	3.3
185.08044	3.2
185.09616	5.0
187.07512	6.0
188.08426	2.7
189.12700	2.6
199.11160	15.0
201.09108	3.2
203.10675	20.8
215.05444	4.3
215.10773	4.7
217.12218	31.2
227.10622	9.4
244.96959	2.1
245.11707	100.0
263.12851	4.5
319.15421	4.9
337.16394	49.6
421.14438	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32532	0.6
53.03945	0.7
63.05492	0.6
69.03434	0.8
71.62950	1.1
82.06556	0.7
82.99861	0.8
85.02891	2.0
100.07611	1.5
101.00893	1.2
114.28490	0.7
115.26534	0.6
118.66467	0.7
119.01897	1.3
121.01653	1.6
127.03825	0.8
131.01846	1.3
143.01855	2.2
145.03445	2.0
145.42792	0.8
155.01878	1.6
157.03442	0.9
161.02945	3.0
163.07448	0.8
173.02916	3.0
174.03011	0.9
175.02664	0.8
185.02960	4.5
185.04564	1.5
186.03011	1.1
187.02647	1.0
197.02893	1.1
203.03987	1.4
230.06934	2.3
231.01578	0.8
231.05284	1.7
231.07378	1.3
245.05045	7.7
246.05286	2.2
247.04927	2.3
248.08121	1.0
249.08536	1.1
261.03162	0.8
263.06104	1.0
265.05719	0.7
288.80630	0.8
333.08768	1.0
351.06573	1.6
352.38480	0.6
365.09146	1.0
422.10147	0.8
513.12134	100.0
514.12408	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	512.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62849	0.6
51.02359	0.5
53.03933	0.7
54.41720	0.5
55.05491	1.5
57.03412	1.1
58.97009	0.6
62.55786	0.6
67.05476	1.9
67.79482	0.6
69.03423	4.6
69.07046	0.8
69.64236	4.5
70.06586	0.8
78.03436	2.7
79.05475	2.4
80.05000	2.2
81.03400	5.8
81.07030	2.4
83.04960	0.8
83.08598	0.6
85.02886	2.6
91.05467	2.1
93.07021	2.4
95.08595	1.8
96.04472	2.8
97.02864	2.9
97.06524	1.5
97.10153	1.1
104.13598	0.6
105.06996	2.6
106.02898	13.4
107.08562	2.4
109.02870	2.4
109.06493	2.1
109.10150	1.5
111.08057	1.0
115.03899	1.0
117.07008	0.9
119.08534	3.4
121.06450	0.6
121.10146	2.5
124.03933	100.0
125.04243	1.1
127.03895	1.7
131.08551	1.2
133.10121	3.3
135.55411	0.6
137.05956	1.4
138.06390	0.7
143.08565	0.7
145.02892	1.2
145.10097	1.3
147.11630	0.7
153.01846	3.1
153.09106	1.2
154.02132	1.4
161.13287	2.4
163.03958	0.7
163.14772	1.1
173.13263	2.1
177.05450	2.4
191.14255	2.0
202.12372	1.4
209.15356	2.5
250.07047	4.5
268.08093	9.1
286.09161	69.5
287.09583	1.2
300.52136	0.6
302.07599	0.7
323.89529	0.7
331.08130	0.7
332.08423	1.5
345.09659	0.7
406.06393	2.5
434.77301	0.6
454.11911	0.6
459.09253	0.7
491.82910	0.7
512.12402	3.6
512.19263	0.8
513.13513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.6
55.01865	10.1
55.05504	31.1
55.45817	2.5
57.03424	27.3
58.82693	2.5
61.02905	6.6
65.03932	5.0
65.34064	2.4
67.05142	5.3
67.05493	76.2
68.36085	2.6
69.03421	52.6
69.07053	28.3
71.01354	3.8
71.04974	18.3
73.02910	6.4
77.62560	2.6
78.34853	2.8
79.05480	53.2
81.03017	2.5
81.03406	98.6
81.07043	100.0
83.04964	23.8
83.08607	18.5
85.02888	30.9
85.06537	4.4
88.16113	2.7
91.03934	3.1
91.05465	60.2
93.07035	57.8
94.52931	2.9
95.04942	22.5
95.08592	38.6
97.02876	64.8
97.06534	17.6
97.10165	5.4
99.04417	13.6
99.08069	3.7
103.03907	4.5
103.05476	14.3
105.07014	57.3
107.04944	15.2
107.08582	36.7
109.02879	14.8
109.06497	14.7
109.10133	20.0
111.04451	8.2
111.08080	3.9
117.06994	20.5
119.08560	38.8
121.06503	8.9
121.10098	24.9
123.04453	3.6
123.08052	6.4
123.11717	8.9
125.09624	6.0
127.03899	15.2
128.06192	4.6
128.53780	3.3
129.05463	7.6
129.06999	10.6
131.04910	31.9
131.08560	34.4
133.06508	5.2
133.10097	37.3
135.08035	6.8
135.11671	16.9
137.05988	4.8
137.09581	5.0
141.06969	5.0
143.08554	8.3
145.06540	4.2
145.10086	21.9
147.08061	5.2
147.11652	19.5
149.09633	8.8
149.13257	13.3
151.11209	7.0
155.08562	3.7
157.10138	11.0
159.11652	21.3
161.05908	3.8
161.09541	3.7
161.13205	5.3
163.11168	7.8
165.12733	4.0
167.07043	5.9
169.10109	3.7
171.11699	5.8
173.04457	31.2
173.05898	3.2
173.09612	5.8
173.13242	11.4
175.11127	5.4
177.12698	9.1
183.11768	3.8
184.12535	2.8
185.13297	6.7
187.07677	3.4
187.11211	5.0
193.12245	6.6
195.12015	3.7
195.13826	19.1
197.13216	5.3
199.07536	5.9
201.12735	3.0
213.14836	6.5
219.13643	3.9
229.19522	3.9
239.17924	4.4
247.20465	5.1
257.19034	11.5
269.17474	7.8
275.19986	44.8
331.22482	3.9
339.17981	6.3
349.23642	41.0
361.23734	3.4
380.87317	3.4
413.21579	37.5
451.07516	4.0
479.17148	5.9
493.27972	8.3
511.21735	5.0
511.28638	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.1
55.01859	12.4
55.05506	38.5
57.03427	24.9
61.02911	9.9
65.03908	4.1
67.05493	72.0
67.27150	3.0
69.03414	51.1
69.07058	36.0
69.95799	6.7
69.96219	12.9
71.01339	5.7
71.04976	15.9
72.08140	9.8
73.02911	7.3
77.03873	3.6
77.82041	3.0
79.05486	70.3
81.03403	91.2
81.07047	100.0
83.04961	21.6
83.08617	19.9
84.62728	3.3
85.02894	38.7
85.06520	9.9
91.03962	6.0
91.04927	4.8
91.05462	64.3
91.57503	3.6
93.07025	57.8
95.04941	24.0
95.08585	49.2
97.02873	54.5
97.06488	22.8
97.10160	11.2
98.06847	3.2
99.04437	15.1
99.08070	7.8
101.02370	5.3
103.05490	4.4
103.67411	3.2
105.07014	64.9
107.04935	14.6
107.08582	50.1
109.02872	23.4
109.06495	14.8
109.10133	24.4
111.04389	7.8
111.08079	8.2
117.06997	21.7
119.08564	37.8
120.08111	17.1
121.06490	7.5
121.10137	28.0
123.04390	8.0
123.08021	8.6
123.11722	7.0
125.09609	10.2
125.34434	3.9
127.03899	29.0
129.05414	5.4
129.07018	10.2
131.04945	7.5
131.08560	33.1
133.06473	4.2
133.10114	34.9
135.08051	10.4
135.11674	18.9
137.05963	6.4
137.09578	9.0
141.06995	5.3
143.08569	6.6
145.02834	4.4
145.04987	5.0
145.06439	5.0
145.10104	21.5
147.08022	5.8
147.11667	25.8
149.09612	13.2
149.13269	16.5
151.11180	7.5
157.10127	10.1
159.07977	6.4
159.11671	22.3
161.13226	9.7
163.11168	7.1
165.01878	5.0
165.09109	3.8
165.12775	6.2
167.06964	14.0
169.10059	4.8
171.11674	4.8
173.04454	22.8
173.09592	4.2
173.13194	7.9
177.05531	7.0
177.12709	8.6
178.06212	4.7
187.11180	4.5
187.14813	6.3
189.11133	8.3
191.10602	3.9
193.12204	7.1
195.13806	10.1
197.13156	3.4
199.14682	3.9
209.09727	4.2
227.12634	6.4
229.19518	3.9
239.17923	7.0
247.14394	5.4
257.18997	14.4
267.15784	4.2
269.17499	10.2
275.20035	58.7
287.05460	10.0
293.20999	4.0
300.02563	4.3
315.05191	7.5
315.08868	4.0
331.22800	7.2
339.17874	4.9
349.23645	46.8
367.24872	5.1
395.21155	4.1
413.21649	33.7
453.08395	6.1
483.12469	6.0
493.28101	9.7
511.12415	41.1
511.19827	5.9
511.28912	35.2
512.12561	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	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.5
55.05490	11.0
56.19505	4.4
57.07065	89.1
67.05489	41.1
69.03424	18.1
69.07061	27.0
71.08613	78.3
79.05471	4.7
81.03397	12.9
81.07040	52.4
81.69223	5.8
83.08614	27.3
83.17924	4.9
85.02898	28.7
85.10167	46.6
89.30093	4.6
91.05476	7.4
93.07018	5.1
95.08593	71.4
97.02882	20.0
97.10145	21.3
98.21466	15.7
99.04459	7.5
108.95850	5.7
109.02878	6.1
109.10130	40.4
121.10164	6.0
123.11705	14.7
127.03915	29.5
135.42931	5.3
137.13237	8.0
145.04935	21.0
178.31328	4.9
216.43155	4.7
220.28078	6.1
221.22673	6.9
229.44070	6.8
239.23666	93.1
280.84900	5.2
309.19202	5.1
313.27313	47.1
331.28284	6.4
383.27878	52.1
401.28903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.3
53.03939	2.4
55.05499	5.1
55.65508	1.2
57.03426	1.1
59.04972	1.0
60.04511	2.9
67.05489	3.3
69.03415	7.0
69.07052	2.9
69.28040	13.0
70.06580	1.4
70.29675	0.9
71.04985	2.1
79.05485	5.4
81.03396	6.8
81.07047	12.0
83.04967	3.8
83.08625	5.6
85.02898	9.4
91.05465	4.1
93.07036	4.6
94.02894	1.2
95.04966	9.4
95.08593	4.5
97.02861	6.4
97.06514	5.3
99.04435	2.9
102.18504	1.1
105.07030	5.8
106.96004	1.0
107.04922	1.3
107.08576	9.0
109.02875	4.4
109.06501	12.6
109.10131	7.0
111.08043	1.2
112.03944	2.2
117.03409	1.2
119.08574	3.8
121.10130	8.3
122.02374	100.0
123.08057	3.8
123.11635	2.6
124.03950	3.1
125.09600	1.5
127.03874	4.3
131.08546	3.1
133.10101	9.1
135.08067	2.9
135.11678	1.8
140.03404	90.1
145.02855	1.3
145.10097	1.4
147.11670	7.3
149.13237	3.7
151.11162	3.3
153.09105	4.6
163.14812	2.6
165.12756	4.2
166.25552	1.1
167.14279	5.8
173.13254	6.5
177.05467	2.3
178.06213	2.0
182.04407	1.3
191.14326	7.2
209.15324	16.1
227.16386	3.8
248.05563	1.6
256.03177	1.7
257.03595	1.3
266.06531	11.2
284.07611	54.6
285.08145	1.4
288.05927	1.9
289.06000	1.2
302.08691	8.1
315.04941	4.4
316.05222	7.5
317.05457	9.7
318.05786	10.8
329.59921	1.2
330.26477	1.4
331.07687	3.9
332.07806	3.2
333.08072	3.6
345.09607	6.0
346.10052	16.1
347.10242	15.5
348.10492	25.5
348.27313	1.3
408.51743	1.4
433.01572	1.0
442.08395	1.1
492.12277	2.4
510.23486	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	510.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
54.38486	1.5
55.01866	5.3
57.03457	2.1
60.04525	1.6
62.06080	11.5
63.02209	1.6
65.03925	4.8
68.13103	1.5
69.03409	3.0
69.07070	2.8
69.46063	5.4
69.46486	10.5
70.06582	4.9
75.04466	2.6
78.04683	3.9
79.05490	8.7
81.03394	2.3
81.07053	4.6
84.08138	1.7
85.02889	4.9
86.09681	2.9
89.03879	1.9
91.04922	3.1
91.05470	45.8
93.03399	7.2
93.07043	6.9
95.04965	6.4
97.02850	9.9
97.06506	8.7
103.05450	9.4
105.03387	7.6
105.07008	8.3
106.04166	21.3
107.04948	10.1
109.06497	7.0
117.07005	1.7
118.04156	4.4
119.04926	42.0
121.02866	3.2
121.06480	27.4
123.04414	6.3
123.08074	5.3
124.05182	2.7
125.05965	4.5
131.04922	10.7
132.05688	5.6
133.02850	1.9
133.06499	7.0
133.10167	1.6
134.03619	5.6
135.04468	2.9
135.08017	2.2
136.05141	2.5
137.05951	10.3
139.07550	2.3
142.39836	1.7
145.06363	1.8
145.19395	1.9
147.04369	13.6
147.08009	4.8
148.05162	4.9
149.05957	38.8
149.07059	3.3
151.07536	20.8
153.05470	1.7
153.09047	9.0
153.19832	1.6
159.04477	1.9
159.08072	6.2
160.05191	4.4
160.61758	1.6
161.05962	31.1
161.09564	2.0
162.06746	6.8
163.03920	3.5
163.07512	7.5
165.05505	5.4
167.07016	51.8
168.06540	1.9
172.05229	2.0
173.05974	3.3
175.07520	12.2
177.05428	30.2
179.07011	19.8
180.07828	8.1
181.08580	19.5
185.05663	1.7
187.07523	16.2
190.06197	5.2
191.06993	16.1
191.08540	2.2
192.07784	10.2
193.08484	1.9
193.31450	1.5
200.08794	1.7
205.08548	47.8
209.08060	100.0
210.08797	2.8
223.04234	9.1
235.09569	13.6
263.06882	2.1
283.06021	4.7
284.11108	3.9
284.14041	3.2
293.11804	1.8
309.11127	3.2
311.10031	2.5
312.10510	7.6
329.11084	4.1
330.11612	12.9
339.12320	4.8
347.12381	13.0
348.12601	34.3
359.14722	2.7
367.15582	2.6
371.14948	4.7
377.13568	3.5
395.14688	3.9
431.17047	2.5
449.18204	2.9
492.10071	2.4
492.16861	2.4
510.05893	1.8
511.14297	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	509.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10424	2.5
53.03946	5.5
53.79968	2.7
55.01861	9.7
55.05497	16.9
57.03433	3.6
60.42558	2.9
60.52011	2.4
67.05492	26.5
69.03419	9.9
69.07065	14.7
71.04987	4.6
71.66248	3.2
79.05489	24.8
81.03396	26.0
81.07039	31.9
83.04971	8.1
83.08611	15.6
85.02885	8.6
86.09675	2.7
91.05468	27.2
93.07033	19.2
95.04945	14.5
95.08589	19.1
97.02872	8.2
97.06514	44.9
97.10165	9.3
99.04426	2.9
105.03372	4.9
105.07026	10.8
107.04965	7.4
107.08606	13.7
109.02865	3.8
109.06533	7.5
109.10151	13.5
111.04476	3.0
111.08112	4.2
117.06943	2.9
119.04963	4.8
119.08585	11.3
121.10152	8.9
123.08115	4.4
123.11704	6.0
125.09622	4.2
125.13422	2.7
127.03884	4.5
128.15292	2.8
129.06998	5.3
131.08563	6.3
133.06441	3.0
133.10130	12.1
135.11670	4.5
137.05992	9.4
137.13255	3.6
142.07793	3.4
145.06429	2.9
145.10068	6.7
147.04391	23.1
147.08040	3.8
149.09642	3.6
149.13191	4.0
153.01805	3.8
153.07013	3.1
157.10043	4.6
158.07164	3.3
159.08015	3.3
161.06094	2.9
163.11169	4.5
167.07068	3.9
168.13808	3.0
170.15373	3.7
173.05997	8.5
175.11240	5.1
178.06219	5.2
179.06982	5.1
187.07524	5.3
188.08253	21.6
193.12231	11.4
211.07491	3.7
211.13229	7.8
214.15796	2.8
223.07616	3.2
225.09099	4.4
229.04980	3.1
230.75555	2.7
249.09230	2.7
253.08685	3.0
255.02899	11.1
269.08176	3.5
271.06274	3.5
281.08237	2.8
287.05499	12.3
291.19458	4.1
293.28339	3.0
297.04074	3.4
300.01999	2.8
315.04932	62.8
316.05200	4.3
327.04999	5.2
330.07346	27.3
341.06631	3.1
345.09647	100.0
346.09991	14.3
347.10324	3.7
353.53644	3.0
374.26056	2.9
380.19730	14.2
398.20963	30.8
399.20938	4.5
435.21524	5.4
463.21088	12.2
473.19583	5.2
477.11789	4.5
480.51352	3.2
491.20605	23.6
509.14230	45.2
509.21069	5.0
509.27863	4.7
509.40329	2.8
510.14526	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	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.6
55.01880	9.8
55.05497	51.6
57.03431	19.4
65.03937	10.3
67.05492	85.4
69.03405	14.8
69.07046	46.4
71.05000	12.3
79.05475	77.8
81.03394	37.9
81.07050	100.0
83.04976	21.3
83.08607	34.5
84.30702	8.0
85.02903	19.6
91.05469	45.5
93.07030	63.9
95.04953	51.6
95.08595	91.4
97.02905	13.9
97.06518	71.3
97.10162	29.4
98.21457	21.7
104.20628	8.7
105.06380	10.3
105.07001	42.9
107.04923	37.9
107.08568	55.2
109.02825	7.4
109.06509	36.9
109.10162	41.1
110.62358	7.5
111.08069	8.9
117.07005	13.6
119.08569	27.2
121.06516	19.4
121.10108	43.5
123.04491	7.8
123.11682	19.6
125.09653	21.0
125.13245	9.0
129.06996	22.2
131.08533	27.7
133.10117	22.5
135.08072	17.5
135.11667	16.6
137.05965	10.2
142.47061	8.0
143.04884	8.3
143.08600	10.9
145.06418	10.9
145.10158	19.6
147.04399	13.1
147.08005	8.3
147.11685	12.0
149.09619	19.9
149.13205	14.5
153.01752	10.0
157.06551	8.9
158.33904	7.1
159.11639	15.5
163.11154	11.4
167.10629	10.8
171.07860	8.5
171.11598	7.5
173.05977	7.6
177.05455	13.1
181.06444	11.6
187.07646	9.5
188.08220	18.8
189.11195	17.3
193.12236	19.7
199.13206	14.0
211.13280	10.3
219.13828	21.0
227.12802	14.4
233.15332	8.7
293.17236	9.4
299.05380	15.2
309.11038	8.6
315.05002	11.3
317.05652	12.5
345.09595	20.8
346.10028	14.7
347.10190	24.4
367.22678	21.2
380.19775	18.1
385.23639	24.1
398.20572	36.2
417.21005	9.7
443.92438	8.4
459.27365	18.6
463.20901	12.3
477.28342	26.8
491.12585	7.4
491.20410	29.0
509.13623	33.9
509.22827	8.4
509.30649	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	509.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
53.99181	2.1
55.01854	4.8
55.05506	12.7
57.03445	2.8
63.17390	2.3
67.05499	15.9
69.03402	6.3
69.07050	9.2
70.06569	3.3
71.04970	2.2
71.60198	3.8
71.60574	2.6
79.05482	14.7
81.03402	20.7
81.07046	23.2
83.04964	5.7
83.08627	12.2
83.91828	2.6
85.02895	5.7
91.05470	18.5
93.07060	12.7
95.04949	9.4
95.08593	13.0
97.02872	5.8
97.06519	27.2
97.10116	5.8
105.06995	10.9
107.08578	7.9
109.10123	7.8
110.71539	2.2
111.11658	2.9
117.06998	4.9
119.04927	3.4
119.08545	7.0
120.05019	2.8
121.10160	5.5
123.11700	3.1
125.09627	4.6
127.03944	4.9
129.06953	4.1
130.07773	2.6
131.08551	6.5
133.10062	3.1
135.11667	2.5
137.05972	7.4
145.06467	3.5
145.10077	3.1
147.04398	16.7
149.13130	3.2
157.10045	3.7
161.06079	2.5
163.11194	3.3
167.07053	3.2
173.05965	5.7
175.11125	3.4
178.06281	5.6
187.07533	3.3
188.08290	11.8
192.32886	2.4
193.12192	6.6
210.14972	2.3
211.07500	4.5
211.13225	5.1
212.08357	2.5
216.04213	2.4
225.09081	5.5
253.08566	3.7
255.02885	7.7
269.04407	3.8
269.08310	2.8
271.05957	4.4
287.05408	9.4
299.05621	3.6
315.04962	54.6
316.05246	4.5
330.07318	26.6
331.07681	4.1
345.09631	100.0
346.09985	12.1
347.10162	4.1
380.19711	9.0
398.20834	24.6
435.21689	5.2
445.19666	3.0
463.20966	6.6
473.19366	4.9
491.20474	18.2
492.20822	3.9
492.34869	2.7
509.14297	41.3
509.21027	3.4
509.27679	5.7
510.14755	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	509.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01863	7.0
55.05503	14.9
56.16756	2.4
57.03421	26.4
59.04974	3.5
59.93874	2.5
66.10161	2.7
67.05494	22.4
68.99780	5.8
69.07048	10.5
69.66044	20.0
71.04989	2.9
71.79583	2.5
77.40208	2.7
79.05486	22.6
81.03406	28.4
81.07050	20.1
83.04987	11.3
83.08612	8.7
85.02875	5.0
91.05453	17.2
93.07027	11.9
95.04954	12.2
95.08574	9.1
97.02871	6.3
97.06519	49.2
98.21451	4.6
105.07043	14.4
107.04945	3.2
107.08576	8.5
109.06514	3.2
109.10139	5.5
111.04423	4.2
111.08062	3.9
115.05315	2.6
117.07009	2.6
119.08553	11.7
123.08035	3.7
129.07007	7.9
131.08514	6.4
133.02840	41.0
133.10115	5.2
137.05957	6.5
141.06921	3.5
147.11649	4.3
149.09586	4.5
153.01791	46.2
153.06924	6.2
157.10106	5.6
159.08063	3.6
161.09642	3.2
163.03944	4.1
165.05504	3.9
165.06970	6.7
167.08540	5.8
169.06528	3.5
173.05960	11.6
175.11198	5.5
178.06215	8.2
179.08655	3.0
181.06436	9.0
181.10010	3.0
187.07541	5.1
188.08276	20.3
191.08437	4.8
193.06491	3.6
193.12238	12.4
195.08060	9.7
197.06023	5.4
197.09610	4.5
199.07489	4.7
203.08566	4.2
205.06491	9.0
207.08034	5.0
209.09636	5.3
209.11594	3.8
211.07571	5.7
211.11362	3.2
211.13174	15.7
219.08070	6.2
221.05962	6.3
223.07446	6.2
225.05667	3.0
225.09106	8.5
233.05959	3.9
233.09814	3.5
235.07619	4.4
237.05510	3.7
237.09012	3.8
239.07028	4.0
247.07492	5.2
249.05312	3.5
251.07019	19.0
253.08539	6.1
255.02869	7.6
255.06424	9.0
261.05405	5.7
263.07059	6.2
267.06497	10.3
269.04340	4.6
273.05310	3.3
275.06940	9.9
277.04956	3.1
277.08679	4.8
278.05676	15.8
279.06503	50.8
280.07065	3.3
281.08069	5.1
284.03149	3.7
287.05499	6.8
290.05597	3.3
291.06360	17.0
292.07239	5.9
293.04648	3.6
293.07980	9.3
297.07336	3.5
302.05777	5.5
303.06476	38.5
305.04370	22.0
305.08023	9.6
306.08746	4.5
307.06076	5.5
307.09729	3.2
309.07037	3.7
313.07074	7.4
315.04874	44.6
317.08151	6.0
318.05432	7.5
319.05896	11.4
321.07574	5.5
321.14957	5.0
329.08072	5.5
330.07324	22.4
331.06149	4.6
334.04434	4.5
335.05536	5.4
335.09131	4.2
343.09552	3.4
345.09665	85.5
346.04529	6.4
346.09998	8.1
347.01086	4.0
347.05429	83.5
347.09775	8.8
348.06042	6.9
349.07101	5.8
351.08386	3.0
351.24612	2.7
352.20395	3.8
361.06952	53.8
362.07727	7.6
362.18839	4.3
373.07010	4.7
375.08505	5.9
375.16122	4.2
380.19775	20.4
389.13885	6.0
398.20871	28.5
403.15353	8.2
405.13022	3.6
407.14734	8.7
413.13864	6.5
417.20471	4.2
431.14801	21.6
433.16223	7.6
435.17496	5.7
435.22177	4.6
441.13181	7.8
445.16415	10.1
447.17935	9.5
449.15826	6.4
450.16660	6.6
459.14334	100.0
460.14612	5.0
463.10736	4.6
463.17227	97.0
464.17737	7.1
465.18982	32.0
473.15631	76.5
474.16199	6.6
477.15253	19.1
481.18137	20.1
491.15851	48.5
509.13342	55.0
510.14545	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	509.1439
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
53.03925	0.3
55.05478	0.7
55.41397	0.3
64.37911	0.4
65.03905	0.5
65.87627	0.3
66.48836	0.4
67.05477	1.0
69.03371	0.4
69.07030	0.9
69.38017	4.3
70.72907	0.3
72.19672	0.3
74.99990	0.4
78.04691	0.4
79.05443	1.5
81.03409	0.9
81.07009	0.9
83.04934	0.4
83.08528	0.6
85.02834	0.6
88.50040	0.4
89.03889	1.4
89.12041	0.3
90.42918	0.4
91.05471	2.5
93.07010	1.6
94.12591	0.4
95.01319	0.9
95.04942	1.4
95.08553	0.8
97.02864	0.9
97.06496	1.5
98.20685	0.7
100.11246	1.1
102.04692	0.6
102.28876	0.4
103.04827	0.6
103.05451	4.3
105.03339	0.6
105.06995	1.7
107.04906	1.6
107.08566	0.5
109.10139	0.4
115.05437	0.8
117.03356	4.5
117.06993	0.7
118.04138	2.6
119.04906	1.0
119.08561	0.7
121.06488	3.0
121.10138	0.8
123.00788	2.3
123.04347	0.6
125.05929	0.4
128.06180	0.5
129.06956	0.6
130.04086	1.6
131.04913	3.4
132.05695	0.6
133.02885	0.4
133.06505	0.9
134.03636	3.7
135.04381	0.7
135.11630	0.6
137.05966	0.9
141.06950	0.4
144.05682	0.8
145.02824	3.7
145.06435	0.9
146.03598	0.5
147.04401	1.3
147.07959	0.4
148.05132	1.9
149.05940	2.8
151.03929	0.6
152.01028	2.5
153.01889	2.1
153.05399	0.5
155.04909	7.8
155.06085	0.5
160.05151	0.5
161.05974	2.4
163.03889	0.8
167.06996	1.6
168.05836	0.5
169.06462	0.5
169.10304	0.4
170.02040	0.6
171.04387	1.2
172.05107	1.8
173.05957	0.7
173.09430	0.4
175.03871	0.8
176.04694	3.0
177.05440	3.3
178.06146	0.4
179.07101	0.4
183.04398	6.6
184.05116	1.2
185.05914	0.9
187.07523	2.5
191.06998	5.6
191.10675	0.4
192.07780	0.8
193.08575	2.6
196.05164	0.7
197.06071	0.5
200.04659	2.9
202.06136	0.6
211.03894	5.2
212.04637	1.6
213.05447	1.2
215.06938	0.6
223.04004	0.5
225.05359	1.9
228.04158	2.7
229.04822	1.1
230.05655	0.6
239.03354	5.4
240.04123	1.1
241.04922	3.3
243.06468	0.7
245.08118	0.8
253.05072	0.6
255.02821	1.4
256.03644	11.2
256.07239	1.9
257.04233	0.8
267.02866	0.5
267.06464	0.6
268.03506	0.5
269.04343	2.3
271.05975	100.0
272.06375	2.0
282.05249	0.6
284.06683	0.4
285.04047	0.9
285.07492	0.9
286.04675	5.5
297.07773	0.5
299.05457	46.2
300.06213	9.1
301.07010	19.2
301.10455	0.9
311.05621	0.7
331.08176	1.4
346.09610	0.6
347.10229	0.9
380.19708	0.6
428.20026	0.4
452.11981	0.5
458.10281	0.5
479.13275	5.6
491.13327	48.3
492.13791	1.5
509.14368	67.5
510.14413	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	509.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01853	1.1
55.05490	1.7
55.70919	0.4
56.02229	0.5
57.03417	1.1
59.09231	0.4
67.05203	0.4
67.05494	3.5
69.03403	1.5
69.07058	1.3
71.04973	1.3
79.05487	3.5
81.03410	3.5
81.07046	4.6
83.04985	1.5
83.08585	0.8
85.02883	1.2
85.06476	0.5
91.05470	3.9
93.07029	3.1
95.04964	1.4
95.08582	1.6
97.02863	1.4
97.06528	2.2
98.20641	1.0
99.04437	0.7
105.07016	3.6
107.04964	1.3
107.08578	2.1
109.02844	0.7
109.06490	1.0
109.10124	2.3
111.04433	0.7
117.06970	0.5
119.08553	1.4
121.06421	0.6
121.10142	0.9
123.08067	0.7
123.11667	0.7
128.06232	0.6
129.07018	0.5
131.04893	0.6
131.08534	1.5
133.10094	2.8
135.04414	0.6
135.08034	0.6
135.11617	0.5
137.05943	1.5
143.08615	0.7
145.06543	0.6
147.04385	0.6
147.11621	0.9
149.05902	0.6
149.13159	0.5
151.07541	1.0
151.11107	1.1
153.01778	1.0
153.09027	0.5
157.10086	0.4
158.07115	0.7
159.08023	0.7
159.11635	0.5
163.03891	1.2
163.11157	0.6
165.05428	0.7
167.07005	1.2
168.05701	0.5
173.04558	2.7
173.05890	0.9
173.80305	0.5
175.07533	0.7
178.06181	3.2
179.03299	0.6
185.05957	0.5
187.07567	0.7
191.03377	1.3
191.07048	0.7
193.04840	0.6
199.07524	0.5
201.05392	0.7
203.03389	0.6
203.06992	0.5
205.05006	1.7
213.05458	0.9
214.06236	0.8
215.06956	0.7
215.12688	0.6
216.04198	0.7
217.04971	0.8
225.09048	0.5
227.12791	1.2
229.08430	0.6
231.06548	0.8
241.04939	1.2
242.05672	9.4
243.06464	1.3
244.03600	0.5
244.07222	1.0
245.04433	0.6
253.14160	0.6
255.02844	1.9
255.06702	0.7
257.08090	0.7
259.06061	1.2
269.04495	2.2
270.05170	0.9
271.05963	3.5
283.06003	0.6
285.03894	1.4
285.07443	0.9
287.05478	2.7
288.06284	2.6
297.04050	0.8
298.04654	8.7
299.05411	1.9
300.02731	1.2
302.04501	0.8
313.07117	1.2
315.05002	8.5
315.08429	0.7
330.07294	4.1
335.09039	0.6
344.09161	0.7
345.09689	8.6
347.09927	0.8
352.09482	1.0
377.10370	0.9
380.19983	0.7
387.08499	0.8
390.07379	0.8
405.09607	1.8
417.09827	0.5
423.10535	1.4
433.09085	3.0
443.07974	0.6
448.11569	2.3
451.10294	11.8
458.10022	0.9
461.08603	1.4
465.11850	0.9
466.12726	1.1
476.11035	2.5
479.09750	5.6
481.14954	6.5
493.11377	0.6
494.12115	0.6
509.14380	100.0
510.14795	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	508.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46189	0.6
53.03922	2.1
54.20969	0.6
55.01848	0.8
55.05484	1.5
62.06079	0.7
63.27100	0.5
65.03938	3.3
65.04221	0.6
67.05480	1.0
69.03402	2.2
70.06573	1.2
71.62398	1.2
79.05487	7.7
80.04958	1.0
81.03408	4.8
81.05775	1.5
81.07039	1.1
82.06564	0.8
83.04977	1.4
84.08069	0.6
85.02878	2.5
86.09682	1.5
89.03890	6.1
91.05453	1.0
92.04998	6.5
94.06545	1.1
95.04930	2.1
96.04470	0.8
96.08119	5.8
97.02856	1.9
99.04395	0.8
106.02863	1.1
106.06543	45.6
107.04932	1.1
108.08099	10.8
109.02853	1.8
109.05232	1.5
117.02565	1.2
117.03363	20.1
120.08083	0.8
121.10024	0.6
123.06795	6.5
124.03925	0.7
124.07579	32.0
134.03644	1.0
134.05998	29.4
135.04372	1.7
135.06416	0.7
136.07529	3.9
137.05954	1.9
145.02834	48.7
146.03143	1.4
147.04401	1.2
148.07555	1.3
149.05974	7.3
151.03867	2.3
152.07051	70.7
153.07314	1.0
154.08542	0.6
163.03848	0.8
168.06349	0.8
170.08109	50.4
177.05447	100.0
178.05821	1.3
186.05502	1.6
193.05147	0.7
195.06453	1.0
222.09187	0.7
222.32509	0.6
227.11757	0.8
250.08701	1.0
267.08844	1.6
282.11282	2.7
283.10809	1.4
287.05530	0.7
300.12207	0.8
310.10806	3.5
311.10367	1.1
314.12314	3.2
315.04828	1.6
316.05371	2.8
321.09576	5.0
328.11838	2.1
329.11417	2.2
330.07010	0.9
332.13263	8.5
339.10760	3.5
345.09686	2.5
346.09906	7.8
347.12256	4.1
394.19815	0.9
472.15329	0.8
490.17078	22.3
491.17139	1.0
508.18094	37.2
509.10812	0.7
509.18158	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	507.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
53.35917	1.1
55.01863	1.9
55.05502	26.7
57.03422	5.3
57.07067	48.1
60.96783	1.1
65.03925	4.1
65.89763	1.4
67.05495	93.5
69.07053	26.8
70.41270	1.1
70.85381	2.4
70.85729	1.5
71.04980	4.3
71.08621	34.9
76.07827	1.2
77.65586	1.0
79.05482	42.0
81.03416	4.3
81.07045	100.0
82.07388	1.8
83.04969	3.8
83.08608	28.5
85.06533	5.1
85.10174	18.4
91.05466	25.1
93.07033	48.4
95.04955	7.1
95.08595	55.6
97.06509	9.1
97.10161	10.3
99.08073	1.9
99.11726	1.1
105.07011	13.9
107.08580	27.4
107.50404	1.2
109.06489	2.7
109.10135	29.3
111.08059	6.1
113.06063	1.4
113.09673	1.7
117.07000	7.5
119.08550	7.5
121.10121	15.2
123.11686	11.5
125.09643	4.7
131.08542	10.0
133.10124	14.5
135.08075	2.8
135.11674	11.3
137.13271	2.9
145.10097	3.1
147.11696	3.8
149.13245	24.0
151.11212	2.9
153.09082	1.3
157.10114	1.6
159.11685	11.4
161.13249	3.1
165.16417	1.5
173.11740	3.2
173.13167	2.6
175.14810	1.3
177.12738	5.4
177.80200	1.3
187.14912	1.3
189.11183	2.4
194.12585	1.5
194.61319	1.1
195.13777	9.8
213.14914	2.0
227.12834	4.3
229.14301	7.0
239.23636	7.8
261.22107	6.1
317.24954	1.9
317.31058	1.3
335.25925	4.5
345.09735	4.2
353.27139	1.1
383.43341	1.1
397.31012	1.7
415.31912	2.1
445.96301	1.2
489.35715	9.6
507.13232	3.3
507.27313	70.6
507.40472	94.0
508.27625	11.6
508.40701	2.2
517.67017	1.3
523.10577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08599	0.9
53.03939	3.0
53.70641	0.9
55.01864	1.6
55.05503	15.8
57.03431	2.6
57.07069	40.7
65.03934	2.3
67.05496	54.5
68.05843	1.0
69.07059	19.2
70.02750	4.8
71.04981	2.1
71.08620	24.5
78.65046	0.8
79.05479	30.3
81.03400	2.1
81.07046	61.5
83.04979	3.4
83.08608	18.7
85.06532	3.5
85.10170	14.1
91.05466	16.0
93.07033	34.0
95.04957	4.2
95.08593	32.8
97.06528	6.2
97.10163	6.3
98.21466	0.9
99.07415	0.8
99.08045	1.7
105.07011	5.8
107.08580	17.7
107.09258	1.8
109.06468	1.2
109.10139	14.1
111.08082	3.7
111.11700	2.4
113.13274	1.0
113.86015	1.0
117.07001	5.6
119.08608	1.4
121.06499	1.2
121.10131	9.4
123.11678	6.5
125.13247	2.2
131.08546	4.5
133.10112	7.0
135.08064	1.8
135.11693	6.0
137.13245	2.4
149.13237	21.0
159.11662	7.4
177.12749	3.9
195.13773	11.7
213.14839	1.3
239.23694	9.0
507.13370	1.6
507.40363	100.0
508.40668	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	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.05499	18.2
57.03425	6.3
57.07069	43.9
67.05496	59.7
69.07058	24.0
70.04099	10.9
71.04974	3.5
71.08623	33.7
79.05484	25.8
81.03387	2.4
81.07046	82.2
83.05004	3.0
83.08607	26.2
85.06537	3.9
85.10170	10.7
91.05473	12.1
93.07035	36.9
95.04969	4.0
95.08591	39.2
97.06513	9.0
97.10175	11.0
98.20771	2.0
105.07023	8.4
107.08588	21.2
109.06523	4.0
109.10144	19.9
111.08063	3.9
111.11629	2.2
117.07039	3.9
119.08611	2.4
121.10158	15.5
123.11696	6.6
131.08586	6.2
133.10106	5.1
135.11688	9.1
137.13243	2.3
147.11694	3.1
149.13240	29.9
159.11635	11.6
177.12782	4.5
195.13835	10.0
223.99727	2.0
229.14359	3.8
239.23764	8.9
261.22134	3.3
300.86224	2.8
345.09717	2.7
366.86865	2.2
489.35977	5.0
507.12842	4.0
507.40479	100.0
508.40631	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.2
57.03429	6.4
57.07066	44.0
65.03929	4.4
66.54724	2.7
67.05495	71.6
69.07057	24.0
71.08625	33.1
71.58652	4.9
73.50808	2.6
79.05476	34.9
81.03397	8.3
81.07047	85.9
83.04950	3.6
83.08616	26.4
85.06511	4.2
85.10160	17.9
91.05457	20.5
93.07038	39.0
95.04952	5.9
95.08595	43.5
97.06486	6.4
97.10166	8.6
98.41655	2.7
105.06991	8.7
107.08587	21.0
109.10141	23.6
111.08061	6.7
111.11671	4.8
117.06990	6.0
118.95184	2.8
119.08572	5.8
121.10130	13.0
123.11682	13.3
131.08545	7.1
133.10089	9.5
135.11699	6.8
145.10144	3.8
147.11649	4.7
149.13245	19.4
159.11688	7.6
173.11717	4.0
177.12756	6.2
181.65318	3.0
194.34866	3.2
195.13737	8.4
229.14374	4.8
239.23599	12.7
250.87315	3.3
261.21948	3.9
364.04694	3.3
504.18918	3.2
507.40509	100.0
508.40475	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	507.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72902	1.7
51.72848	2.1
53.03942	2.1
55.05497	26.1
57.03418	9.1
57.07052	9.1
59.04960	2.6
63.71288	1.9
65.03930	3.2
67.05494	100.0
69.07055	20.1
70.31240	1.7
71.04981	4.7
71.08602	5.5
73.70560	2.0
74.35838	2.0
79.05485	30.4
81.03408	4.0
81.07046	68.6
82.03755	2.2
83.04964	4.7
83.08598	20.3
85.06528	3.8
91.05467	27.2
93.07033	37.1
95.04934	2.6
95.08588	49.9
97.06505	6.0
97.10155	15.1
105.07010	24.7
107.08573	27.0
109.06492	3.2
109.10143	61.2
111.08035	3.5
115.05390	2.7
117.06976	5.3
119.08554	20.7
121.10125	17.2
123.11693	9.9
125.09604	10.9
129.07016	3.3
131.08562	13.7
133.10095	17.3
135.08124	2.8
135.11658	10.7
137.09615	3.6
137.13261	3.2
141.06989	2.2
141.56056	1.9
143.08525	4.5
145.10114	13.0
147.11656	11.7
149.09587	2.9
149.13200	9.3
155.10667	2.9
157.10045	2.8
159.11687	11.8
161.13194	6.3
163.14803	4.9
169.09975	2.8
171.11664	4.3
173.11673	12.2
173.13205	7.6
175.14810	4.1
187.14801	3.8
189.11183	9.2
191.09068	1.9
195.00247	11.9
227.12714	10.2
229.14288	24.7
230.14604	2.3
233.49788	2.2
241.19530	3.4
243.21046	4.7
259.20526	4.3
261.22153	23.2
263.23795	2.1
274.92926	2.0
287.05356	3.2
313.27423	2.9
315.04953	7.6
317.24698	2.7
333.24005	3.3
334.57922	2.0
335.25699	20.2
345.09576	14.4
379.29800	2.7
386.68314	2.5
397.30884	7.8
411.82648	2.2
415.32214	11.5
433.32944	5.2
489.35669	34.2
507.12640	4.7
507.28012	3.6
507.36328	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01852	1.9
55.05285	2.1
55.05507	24.9
57.03426	5.2
57.07072	20.0
59.04998	1.8
60.97827	1.8
65.03931	3.5
67.05496	100.0
69.03415	2.8
69.07069	17.3
69.64203	10.3
71.04986	4.7
71.08625	10.6
79.05478	34.3
79.49918	1.6
81.03418	3.8
81.07048	82.9
83.04963	2.1
83.08608	23.0
85.02911	1.6
85.06540	5.9
85.10169	6.0
91.05474	21.3
93.07040	37.2
95.04964	2.9
95.08599	47.0
97.06521	4.8
97.10163	14.7
99.08089	2.2
103.32491	1.6
105.07006	14.3
107.08577	25.6
109.09423	3.3
109.10146	50.8
111.08071	4.6
117.07032	8.4
119.08553	12.0
121.10132	18.5
123.08048	1.5
123.11686	12.0
125.09577	9.0
129.06961	3.4
131.08588	11.6
133.10118	13.8
135.11678	13.4
137.09663	1.7
137.13203	2.2
145.10123	8.5
147.11652	7.8
149.13274	12.1
153.09055	1.8
157.10110	2.5
158.50447	1.6
159.11710	12.1
161.13206	6.4
163.14815	2.8
171.11661	3.4
173.11711	14.2
173.13254	6.3
175.14806	2.2
177.12648	2.5
187.14810	4.0
189.11246	6.2
195.13805	4.9
227.12756	7.1
229.14299	28.1
236.61540	1.6
239.23679	3.5
243.21031	2.7
259.20639	3.1
261.22107	18.4
315.04865	1.8
317.24869	3.6
335.25754	17.5
345.09641	4.6
373.61548	1.6
379.30176	4.5
397.30988	7.7
414.24530	1.6
415.32202	5.1
433.33084	5.1
471.34457	5.3
488.64087	1.7
489.35742	32.2
507.13037	2.4
507.40100	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01847	3.4
55.05502	33.0
57.03444	10.4
57.07060	7.6
59.04979	2.5
60.46363	2.2
67.05492	100.0
69.03397	4.0
69.07056	18.8
69.27105	27.2
71.04958	2.7
71.08618	4.9
79.05479	32.4
81.03399	2.4
81.07046	58.8
83.08601	17.6
85.06523	4.7
91.05460	23.8
92.86872	2.0
93.07030	39.2
95.04934	4.0
95.08595	46.5
97.06496	4.4
97.10151	19.8
98.18919	2.0
101.53254	2.3
104.51304	2.0
105.07021	21.0
107.08589	26.6
109.09414	4.0
109.10144	64.2
111.08089	3.1
117.06994	8.3
119.08553	21.6
121.10117	19.1
123.08059	2.7
123.11685	9.3
125.09589	11.0
129.06966	3.6
131.08540	15.9
133.10117	12.1
135.08035	2.6
135.11647	14.6
135.19485	2.4
136.92293	2.2
137.09579	5.4
137.13184	4.0
143.08540	2.8
144.06110	2.1
145.10097	9.7
147.11627	9.5
149.13191	10.0
157.10205	3.7
159.11665	10.2
161.13225	6.5
162.45959	2.1
163.14812	3.7
171.11581	3.0
173.11707	16.0
173.13225	9.9
185.13147	3.8
187.14809	6.0
189.11218	7.0
195.00276	21.2
199.14885	3.4
227.12753	11.4
229.14288	34.5
231.15921	3.1
243.21062	3.1
259.20459	4.1
261.22076	25.2
279.23111	2.5
313.27286	3.9
315.04813	7.0
323.11389	2.9
330.07092	4.7
335.25772	23.1
345.09625	21.6
379.30014	3.9
397.30807	10.5
415.32230	10.5
433.32843	7.9
449.08734	2.6
471.34470	4.6
484.34415	2.5
489.35614	39.2
507.12912	8.8
507.36557	32.2
508.13049	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01852	1.9
55.05285	2.1
55.05507	24.9
57.03426	5.2
57.07072	20.0
59.04998	1.8
60.97827	1.8
65.03931	3.5
67.05496	100.0
69.03415	2.8
69.07069	17.3
69.64203	10.3
71.04986	4.7
71.08625	10.6
79.05478	34.3
79.49918	1.6
81.03418	3.8
81.07048	82.9
83.04963	2.1
83.08608	23.0
85.02911	1.6
85.06540	5.9
85.10169	6.0
91.05474	21.3
93.07040	37.2
95.04964	2.9
95.08599	47.0
97.06521	4.8
97.10163	14.7
99.08089	2.2
103.32491	1.6
105.07006	14.3
107.08577	25.6
109.09423	3.3
109.10146	50.8
111.08071	4.6
117.07032	8.4
119.08553	12.0
121.10132	18.5
123.08048	1.5
123.11686	12.0
125.09577	9.0
129.06961	3.4
131.08588	11.6
133.10118	13.8
135.11678	13.4
137.09663	1.7
137.13203	2.2
145.10123	8.5
147.11652	7.8
149.13274	12.1
153.09055	1.8
157.10110	2.5
158.50447	1.6
159.11710	12.1
161.13206	6.4
163.14815	2.8
171.11661	3.4
173.11711	14.2
173.13254	6.3
175.14806	2.2
177.12648	2.5
187.14810	4.0
189.11246	6.2
195.13805	4.9
227.12756	7.1
229.14299	28.1
236.61540	1.6
239.23679	3.5
243.21031	2.7
259.20639	3.1
261.22107	18.4
315.04865	1.8
317.24869	3.6
335.25754	17.5
345.09641	4.6
373.61548	1.6
379.30176	4.5
397.30988	7.7
414.24530	1.6
415.32202	5.1
433.33084	5.1
471.34457	5.3
488.64087	1.7
489.35742	32.2
507.13037	2.4
507.40100	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01868	2.7
55.05501	27.4
57.03428	7.5
57.07065	6.0
58.38540	1.3
59.04987	2.1
65.03930	4.3
67.05494	100.0
69.03431	2.2
69.07064	18.0
70.57764	1.2
71.04974	3.2
71.08617	1.6
79.05482	36.4
81.07046	71.0
83.04984	3.3
83.08598	15.9
85.06535	4.9
85.10160	1.9
88.42620	1.6
89.06072	1.7
91.05465	23.5
93.07033	45.0
93.07595	3.2
95.04958	3.4
95.08595	51.2
97.06522	3.1
97.10158	17.5
105.07023	21.7
107.04927	2.0
107.08578	30.7
109.06522	3.1
109.10140	54.9
111.08083	3.5
113.09615	1.7
115.05431	1.4
117.06998	8.3
119.08566	21.0
121.06511	2.0
121.10123	23.2
123.08035	1.8
123.11711	11.3
125.09627	10.6
128.06256	1.6
129.06972	3.2
131.08559	19.2
133.10115	15.8
135.08055	4.0
135.11665	14.0
137.09599	3.1
137.13231	2.8
139.02094	1.8
139.11075	2.2
143.08533	6.6
145.10107	13.0
147.11678	12.7
149.13211	10.1
153.09157	2.4
155.08539	2.1
157.10112	3.1
159.08052	1.6
159.11676	10.7
161.13261	5.8
163.11154	1.8
163.14818	4.8
164.37083	1.6
169.10162	1.8
171.11707	3.8
173.11705	14.7
173.13260	11.2
175.14841	3.8
177.12759	2.1
183.11662	2.4
185.13269	4.6
187.14847	6.2
189.11230	12.8
197.13200	2.4
199.11153	1.8
201.16325	2.6
227.12729	9.7
229.14291	28.6
239.36586	1.3
243.21172	3.8
259.20578	3.9
261.22128	27.3
263.23749	2.8
289.21823	1.6
315.04895	4.6
317.24744	3.1
329.21088	1.8
333.24344	2.4
335.25778	16.3
343.04434	1.5
345.09628	9.1
348.89816	1.6
379.29773	4.7
397.30917	7.1
415.32071	10.3
433.32980	6.1
471.34784	3.1
489.35675	43.2
490.35580	2.5
507.12823	3.2
507.36572	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57232	1.7
53.03933	4.0
55.01860	3.1
55.05285	2.2
55.05505	25.5
55.07796	1.9
57.03431	12.3
57.07058	4.4
59.04974	2.3
60.99997	1.8
65.03933	3.5
67.05496	100.0
69.07057	22.4
71.04980	5.4
71.08614	3.3
71.58535	3.4
71.69919	1.9
79.05485	30.6
80.67316	1.7
81.03409	2.0
81.07049	66.9
83.04962	3.4
83.08612	16.9
85.06509	3.5
91.04955	1.9
91.05476	23.9
93.07030	38.1
95.04962	4.5
95.08023	2.9
95.08591	41.7
97.06489	3.7
97.10154	17.2
105.07021	20.2
107.08586	29.7
107.45210	1.8
109.09435	3.7
109.10143	62.9
111.08063	4.3
117.07005	7.1
119.08562	19.6
121.10120	21.4
123.11680	11.1
125.09629	15.4
129.07045	2.2
131.08516	12.1
131.95624	1.7
133.10098	12.5
135.11661	13.6
137.09592	2.3
137.13249	4.3
145.10098	11.0
147.11632	9.7
149.13249	9.2
153.09116	2.0
155.10768	2.9
159.11728	9.2
161.13239	8.3
163.14809	5.6
173.11725	16.5
173.13222	7.2
175.14816	4.3
185.13281	2.9
187.14745	4.7
189.11137	11.0
227.12787	12.3
229.14320	35.0
233.48463	1.9
235.09673	2.0
243.21065	5.1
261.22113	27.5
278.72012	1.9
287.05276	2.8
299.23544	2.8
315.04913	7.9
317.24622	4.8
330.07318	3.5
333.24118	2.6
335.25751	26.1
345.09659	11.6
379.29834	4.1
389.38284	1.9
397.30890	8.5
415.32303	9.3
433.33002	8.9
471.34586	3.1
489.35632	39.9
507.12903	4.7
507.28146	3.4
507.36438	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1496
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
59.37848	0.2
61.29856	0.2
69.61720	1.9
70.06551	0.3
72.91150	0.3
75.25806	0.2
76.27192	0.2
85.02876	0.4
97.02889	0.4
98.21433	0.4
107.04955	0.4
108.85674	0.2
110.24802	0.3
124.03969	0.3
127.03945	0.3
133.02931	0.4
137.05969	0.8
145.02888	0.3
147.04388	0.4
149.02298	1.8
149.06088	0.3
153.01782	0.5
161.05875	0.3
163.03888	0.3
164.04665	1.2
167.03384	7.9
167.07057	0.4
170.08104	0.2
174.30171	0.2
176.04668	0.3
177.05475	0.5
178.06232	1.3
193.04948	0.7
199.04044	0.3
209.38875	0.2
213.05432	0.7
216.04160	0.7
217.04866	0.5
219.06490	1.1
227.03381	0.5
231.06624	0.7
241.04893	0.5
241.08672	1.6
242.05693	1.6
243.06514	0.4
244.03670	0.3
245.04460	2.7
255.02870	2.7
257.07953	0.3
259.06052	1.1
259.09610	1.6
260.80862	0.3
269.04376	1.1
270.05264	1.5
271.05737	0.3
283.02451	0.6
284.02951	0.4
285.07526	0.8
287.05466	7.1
297.03876	0.8
298.04694	0.9
299.05472	1.1
300.02597	1.1
313.06927	1.2
315.04956	33.3
316.05322	0.7
329.06714	0.3
330.07288	13.7
331.07544	0.4
345.09644	100.0
346.09933	2.3
433.11304	0.3
469.72305	0.3
507.13788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67634	1.4
53.03933	4.7
54.47894	1.1
55.01861	2.7
55.05506	27.6
57.03434	8.3
57.07068	3.2
59.04984	3.3
59.44920	1.2
65.03928	2.7
66.94273	1.3
67.05498	100.0
69.07061	17.2
71.04985	2.8
71.66051	1.8
79.05482	30.3
81.07045	67.8
83.04949	3.4
83.08616	15.5
85.06516	4.1
91.05477	22.5
93.07036	37.7
95.04956	4.6
95.08595	42.7
97.06521	3.8
97.10156	17.8
103.03931	1.6
105.07026	15.0
107.08578	26.4
109.06504	2.6
109.10147	49.5
111.08057	5.5
117.06993	9.2
119.08551	17.7
121.10118	17.6
123.11684	5.4
125.09608	10.6
129.06969	2.3
131.08549	12.4
133.10120	14.5
135.11687	14.7
137.09592	2.9
137.13235	2.6
143.08508	3.4
145.10130	13.3
147.11684	8.9
149.13242	8.6
155.10645	1.8
157.10107	3.0
159.11659	8.8
161.13220	6.6
163.11063	1.6
163.14806	2.2
171.11661	1.8
173.11734	12.1
173.13248	6.1
175.14789	1.7
178.06239	2.0
185.13303	3.4
187.14774	4.9
189.11212	9.2
199.14838	1.8
200.15036	1.4
213.16496	1.7
215.17769	1.3
227.12836	10.5
229.14310	26.1
231.15892	2.1
243.20999	3.6
255.02846	3.8
259.05933	1.6
259.20496	4.4
261.22156	24.0
263.23666	2.9
279.23038	1.9
287.05414	2.5
289.21329	1.5
291.23260	1.7
315.04849	17.0
316.05298	1.8
317.24667	2.5
329.06519	1.5
330.07211	5.6
335.25772	17.8
345.09659	34.0
346.09982	2.4
379.29715	2.8
387.32455	2.1
397.31268	6.7
408.87866	1.7
415.32013	9.8
429.28030	1.6
433.33035	4.6
449.32788	1.6
471.34415	3.8
489.35699	38.4
507.12677	4.2
507.36636	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	507.1492
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
56.06380	0.1
67.05453	0.1
69.03363	0.2
69.87828	0.4
81.06989	0.2
85.02901	0.3
85.06480	0.1
95.08542	0.2
97.02821	0.1
97.75762	0.1
98.32367	0.1
107.04919	0.1
109.02831	0.1
109.10130	0.2
123.04452	0.4
126.03071	0.1
135.04352	0.2
137.02292	0.1
139.03799	0.1
139.07468	0.1
146.33359	0.1
147.04381	0.1
148.05003	0.1
149.02260	0.1
149.05887	0.1
151.03830	0.1
152.01160	0.1
153.00667	0.1
153.01796	1.4
153.05292	0.1
161.02275	0.2
161.05917	0.2
163.03874	0.9
165.01775	0.1
167.07022	0.8
170.02023	0.3
175.07410	0.1
177.05405	0.3
178.02708	0.6
178.06212	3.9
179.03380	0.4
179.04752	0.1
183.02888	0.2
185.05893	0.1
189.01794	0.1
189.05374	0.2
191.03313	0.2
191.07031	0.1
199.03699	0.1
203.03392	0.2
203.06999	0.1
204.04158	0.4
205.04918	0.1
211.03860	0.1
213.05428	0.2
216.04149	1.2
217.04892	0.6
226.06273	0.1
227.03290	0.4
228.04056	0.3
229.04845	0.1
231.02957	0.4
231.06429	1.0
239.03206	0.1
241.04930	0.9
243.06487	0.7
244.03654	1.2
245.04378	0.2
255.02849	7.9
256.03421	0.3
257.04321	0.1
259.05975	1.9
269.04416	2.3
270.04959	0.1
271.02905	0.1
271.05936	0.3
272.03098	0.4
273.07501	0.1
281.04471	0.6
283.02301	1.8
283.05927	0.7
284.03113	0.6
284.06747	0.5
285.03787	0.2
285.07266	0.1
286.04810	0.1
286.08209	0.1
287.05450	8.1
288.05887	0.1
289.10709	0.2
295.06094	0.1
297.01361	0.1
297.03894	2.2
298.04645	0.3
299.05450	1.3
300.02603	3.2
301.03857	0.1
301.07028	0.5
311.05438	0.5
312.06219	1.1
313.06982	1.2
314.04153	0.1
314.07690	0.3
315.04926	44.8
316.05374	0.9
317.10260	0.2
329.06522	1.2
330.07272	18.7
331.07635	0.4
345.09616	100.0
346.09970	2.2
346.14301	0.1
507.14948	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	507.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.1
57.03415	0.1
61.02866	0.1
68.99780	0.1
69.03358	0.3
70.04496	0.2
70.04906	0.1
81.03365	0.1
81.07009	0.1
85.02892	0.3
97.02821	0.2
100.53562	0.0
107.04893	0.1
120.72676	0.1
121.06451	0.1
123.04417	0.2
124.18689	0.0
126.03015	0.1
133.06375	0.0
135.04375	0.1
137.02321	0.1
139.07475	0.1
147.04327	0.1
148.05115	0.1
149.05917	0.1
151.03845	0.1
152.00916	0.1
153.00673	0.1
153.01797	1.1
161.02280	0.1
161.05951	0.1
162.06755	0.1
163.02652	0.1
163.03877	0.7
167.07036	0.8
169.06429	0.1
170.02058	0.3
175.03821	0.1
177.05435	0.2
178.02657	0.4
178.06213	3.1
179.03320	0.4
179.06604	0.1
183.02879	0.1
189.05403	0.1
191.03375	0.1
192.04111	0.1
196.93700	0.0
197.06009	0.1
199.03864	0.1
200.04645	0.1
201.05341	0.1
202.48270	0.1
203.03209	0.2
203.07025	0.1
204.04199	0.3
205.04996	0.1
213.05373	0.2
215.06955	0.1
216.04138	1.0
217.04912	0.6
227.03311	0.2
228.04102	0.2
229.04941	0.1
231.02902	0.2
231.06447	0.8
241.04886	0.7
242.05589	0.1
243.06444	0.4
244.03610	0.9
245.04292	0.1
253.04860	0.1
255.02838	6.4
256.03473	0.3
257.04358	0.1
259.05960	1.5
266.05548	0.1
269.04385	1.8
270.04984	0.1
271.02316	0.1
271.05948	0.3
272.03156	0.4
273.03693	0.1
281.04309	0.3
283.02325	1.2
283.05890	0.4
284.03073	0.4
284.06720	0.5
285.03912	0.2
285.07635	0.1
286.04843	0.1
286.08200	0.1
287.05453	6.1
288.05795	0.2
289.10516	0.2
297.00742	0.1
297.03879	1.5
297.07242	0.1
298.04651	0.2
299.05408	1.1
300.02609	2.2
301.03574	0.1
301.06976	0.4
302.07794	0.1
311.05392	0.4
312.06219	1.1
313.07022	0.8
314.04193	0.2
314.07742	0.2
315.04926	37.8
316.05319	0.9
317.10095	0.1
329.06494	1.0
330.07275	18.7
331.07590	0.3
345.09613	100.0
346.09946	2.8
346.14267	0.1
410.78714	0.1
507.14920	2.6
508.15009	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	507.1493
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.04037	0.4
57.38035	0.3
69.23804	4.3
73.43341	0.3
84.62769	0.3
85.02900	0.3
85.93439	0.3
97.02925	0.3
98.21502	0.7
123.04435	0.4
141.92873	0.3
149.02341	0.9
153.01787	0.9
164.04659	0.4
167.03348	2.0
167.06987	0.4
178.06187	2.9
211.68880	0.3
216.04147	0.8
217.05009	0.5
231.06438	0.9
239.86058	0.4
241.05096	0.5
242.05579	0.5
243.06508	0.7
244.03609	1.1
245.04419	1.0
255.00433	0.6
255.02849	6.0
259.05984	1.7
269.04477	1.5
270.05093	0.4
272.03137	0.5
281.04327	0.4
283.02264	1.1
284.03476	0.5
285.07407	0.5
287.05453	7.0
297.03995	1.4
298.04779	0.8
299.05487	1.2
300.02548	2.2
306.97778	0.4
312.06168	0.5
313.06976	1.3
315.04938	36.7
316.05310	0.9
329.06516	0.7
330.07272	15.7
345.09641	100.0
345.84598	0.4
346.10007	2.4
434.23071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01849	0.6
57.03419	1.2
69.03413	3.4
69.78801	2.4
73.02901	0.6
74.08228	0.3
81.03403	1.7
81.58292	0.3
85.02895	4.1
87.00809	1.3
87.04455	0.8
97.02878	2.7
99.04426	1.0
105.01855	1.1
109.02882	2.2
111.19293	0.4
127.03896	100.0
128.04248	1.3
145.04945	1.3
147.02905	0.4
159.02899	0.8
161.24634	0.3
164.66545	0.3
185.95744	0.4
196.12187	0.3
203.46777	0.4
220.66850	0.4
220.84969	0.4
232.58041	0.4
244.74460	0.3
315.04871	0.4
345.09628	1.5
358.74283	0.4
375.09158	3.0
507.16284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05497	1.1
57.07037	0.4
67.05478	2.0
68.99783	0.4
69.07062	0.8
71.59573	0.7
79.05472	2.1
81.03396	0.5
81.07041	1.0
83.05004	0.5
83.08619	0.5
85.02901	0.5
91.05451	1.6
93.07034	0.9
95.04916	0.8
95.08581	1.1
97.02866	0.4
97.06527	1.0
102.49716	0.4
105.07005	1.1
107.04951	1.3
107.08582	0.9
115.21285	0.4
119.08553	1.1
121.10115	0.6
123.04421	1.3
133.10135	0.9
137.02377	0.5
145.10089	0.5
153.01779	1.3
154.93024	0.4
161.02330	0.6
161.05942	0.5
163.03886	13.7
164.04160	0.6
167.07019	0.9
177.05534	0.7
178.02716	0.6
178.06255	4.1
185.05891	0.5
204.04086	0.5
205.04938	0.6
216.04123	1.5
217.04988	0.5
228.04285	0.6
231.02898	0.5
231.06354	0.8
241.04871	1.1
241.19235	0.4
243.06534	1.1
244.03615	1.2
255.02882	8.7
256.03152	0.5
259.05963	1.6
269.04236	2.0
272.03113	0.8
275.79672	0.5
281.04410	0.6
283.02335	2.1
283.05591	0.7
284.03088	0.9
287.05487	7.9
297.03873	1.7
299.05560	0.8
300.02667	3.1
301.07004	0.7
311.05490	1.2
312.06259	1.4
313.07050	1.2
315.04950	45.9
316.05307	1.3
329.06512	1.2
330.07275	19.3
341.10205	0.8
345.09647	100.0
346.09940	2.4
369.09537	1.8
381.09821	1.1
435.07053	1.2
449.08621	1.6
475.14087	0.5
477.07648	2.5
506.24884	0.5
506.39267	0.6
507.12912	10.1
507.20190	0.4
507.29514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1493
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
56.52092	0.3
56.84994	0.2
58.17124	0.2
68.99779	0.3
69.03385	0.6
69.52146	0.5
69.52559	1.6
70.06547	0.6
79.05471	0.5
81.03378	0.7
81.07009	0.4
85.02851	0.7
91.05452	0.5
94.12797	0.2
95.04974	0.3
97.02831	1.0
103.05446	0.4
104.69732	0.3
105.06979	0.3
106.02897	0.5
106.06464	0.3
107.04898	0.8
107.08561	0.4
107.55670	0.3
107.56490	0.2
109.02820	0.3
117.75381	0.2
119.04879	0.5
121.02799	0.5
121.06458	0.3
123.04388	0.6
124.03874	0.4
124.07603	0.3
131.04832	0.3
135.70639	0.2
137.02275	0.6
137.05975	1.5
145.02817	0.6
147.04350	1.0
149.02348	2.3
149.05911	0.4
152.07024	0.6
153.01747	0.9
153.05414	0.6
161.05864	0.6
163.03786	0.8
164.04642	1.0
167.03381	7.9
167.07008	0.7
170.08041	0.4
175.03867	0.7
175.07628	0.2
177.05481	1.5
178.02628	0.3
178.06195	1.8
181.04828	0.3
189.60158	0.2
192.48659	0.2
193.04980	1.8
213.05415	0.5
216.04169	0.7
217.04834	0.8
219.06461	1.2
226.06175	0.6
227.03401	0.5
228.04158	0.3
231.02876	0.3
231.06479	0.8
241.04890	0.4
241.08568	7.0
242.05685	1.5
242.09016	0.3
243.06468	0.4
244.03699	0.6
245.04407	2.8
253.04976	0.3
255.02847	3.5
259.06033	1.7
259.09619	5.5
269.04398	1.2
270.05203	1.6
271.06158	0.4
272.03067	0.3
273.04022	0.3
281.04422	0.4
283.02280	1.1
283.05670	0.5
284.03308	0.4
284.06659	0.4
285.07523	0.8
287.05475	8.2
289.10611	0.4
297.03964	1.5
297.11182	0.5
298.04645	1.3
299.05453	0.9
300.02655	1.7
311.05328	0.3
312.06296	0.7
313.06940	1.5
315.04935	39.1
316.05399	0.7
329.06598	0.5
330.07294	16.4
331.07648	0.8
344.08945	0.3
345.09637	100.0
346.09970	2.6
498.85309	0.3
507.14005	1.8
507.20944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0918
Annotation	Nostocyclamide M
Peak:m/z	Relative Intensity
55.05498	0.7
67.05492	2.3
69.03415	1.1
69.07027	1.3
70.87288	1.9
72.52603	0.7
78.79150	0.6
79.05466	1.1
79.72501	0.5
81.03402	0.9
81.07056	5.1
83.08598	1.4
85.02901	2.7
86.09687	0.7
87.00807	1.0
91.05459	0.9
93.07053	1.4
95.08605	4.0
97.02892	1.2
99.04429	0.7
99.08121	0.7
107.04955	1.9
107.08573	1.1
109.02827	1.4
109.10142	3.7
115.05397	0.6
119.08609	0.6
121.06470	0.7
121.10073	0.9
123.04414	8.5
123.11693	1.5
127.03915	2.1
135.11656	0.8
137.05951	1.0
138.22305	0.8
147.04395	3.0
149.05936	1.0
149.13232	1.7
163.03876	1.0
163.14780	0.9
165.05476	1.4
177.05554	0.9
177.16319	0.9
178.06215	2.6
189.05367	1.1
210.55840	0.6
231.06546	1.4
255.00423	0.6
255.02744	3.3
259.05896	0.8
269.04395	1.2
283.02533	1.1
283.05890	0.9
283.09351	0.7
287.05457	3.4
291.26639	1.1
293.04507	3.0
303.02853	0.6
306.05197	1.2
309.27951	1.4
312.06036	0.9
315.04895	15.3
319.02277	3.1
319.05798	1.1
321.07614	1.0
325.10739	0.8
327.08578	2.0
330.07309	7.3
332.03101	0.9
333.03796	1.7
343.98984	0.6
345.09650	42.1
346.09833	0.6
347.05295	1.3
349.06995	1.5
359.05435	2.5
361.09155	1.3
375.04913	2.2
377.06525	4.7
387.05014	4.2
388.02090	1.2
391.08224	1.0
397.08539	0.7
399.05072	0.8
401.02911	3.1
402.03397	0.9
403.04297	9.5
405.05988	36.7
406.06131	1.4
411.05014	1.3
414.04010	0.7
415.04419	10.1
417.05615	0.7
419.07462	3.0
420.08435	1.7
429.01901	0.9
429.06720	1.0
430.06775	2.0
431.03903	59.8
432.04108	2.1
433.05478	4.1
435.10730	12.3
445.04678	2.3
445.09140	6.1
446.06149	3.7
447.06998	0.7
461.08618	54.7
462.08755	2.3
463.10168	6.1
507.09140	100.0
508.09528	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	506.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
52.27476	0.2
53.03945	1.3
55.01861	1.2
55.05505	0.2
57.03431	0.5
57.05822	0.2
61.02921	0.9
67.05486	0.3
68.99780	0.7
69.03422	3.3
69.17648	0.2
70.89364	0.5
70.89706	0.2
71.04996	0.5
73.02903	0.7
77.03933	0.3
79.05489	1.1
81.03407	3.5
81.07063	0.3
85.02892	9.6
87.00819	3.9
91.03937	0.3
91.05466	3.9
95.04942	0.4
97.02874	3.0
97.06519	0.3
99.04442	1.8
103.03919	0.5
105.01848	2.7
107.04936	4.0
108.04493	0.4
109.02862	3.1
115.05441	10.2
117.07001	100.0
118.07341	2.0
119.08555	0.3
123.04443	0.5
125.05974	1.5
126.05526	0.4
127.03900	6.3
129.01799	0.8
135.05478	0.5
137.05956	51.9
138.06284	1.0
145.04932	2.8
147.02858	0.3
159.02852	2.6
161.05952	1.6
179.06995	0.8
181.10201	0.2
189.03874	0.7
203.07028	1.2
208.73499	0.2
217.04523	0.2
231.04929	0.8
241.12213	12.4
242.12439	0.4
245.08011	0.4
248.07739	0.3
265.12064	0.7
269.04492	0.3
283.13162	0.8
307.13202	1.5
315.04843	1.0
331.13239	0.8
345.09656	2.3
349.09061	1.6
349.13824	0.5
367.09949	0.3
385.11279	0.5
449.07681	0.3
506.20898	0.4
507.12521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
52.11754	0.2
57.03437	0.3
58.70281	0.2
61.02901	0.2
66.88696	0.2
69.03407	1.7
70.06573	0.6
71.01709	0.5
78.03461	1.4
80.05013	0.4
81.03415	0.8
83.04988	0.3
84.08161	0.4
84.49705	0.2
84.88388	0.2
85.02888	1.2
87.04452	0.4
96.04504	0.5
97.02882	100.0
98.03215	0.5
103.05451	0.3
106.02905	6.2
106.03593	0.4
109.02847	0.4
113.88795	0.3
124.03942	10.7
124.07540	0.3
127.03884	0.5
136.06165	0.4
137.05969	0.6
145.02879	0.4
147.04393	0.4
163.03944	0.3
177.05476	0.8
195.06461	0.2
196.06078	0.5
203.03445	0.2
220.06027	26.2
238.07057	4.9
250.07057	0.3
254.06587	0.7
256.08157	0.6
266.10019	0.2
268.08185	0.8
334.70050	0.2
344.13361	4.7
345.09665	0.6
374.14590	0.5
400.12357	11.6
506.17709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49506	0.2
51.02375	0.2
55.05488	0.3
56.74605	0.2
57.03409	0.4
69.03423	1.6
70.06577	0.6
71.04987	0.2
71.61814	0.3
71.62271	0.3
72.08151	0.2
78.03442	1.2
80.05000	0.6
81.03405	0.9
83.04939	0.2
84.04461	0.3
84.08143	0.2
85.02885	1.4
86.09713	0.2
86.69185	0.2
89.06006	0.4
91.05462	0.4
94.06577	0.2
96.04485	0.9
97.02877	100.0
98.03189	1.0
99.04434	0.5
99.15805	0.2
103.05437	0.2
106.02903	6.1
109.02831	0.3
111.04435	0.2
116.07140	0.2
124.03938	11.3
127.03925	0.5
136.06161	0.8
137.05977	0.8
142.08658	0.2
145.02872	0.3
147.04430	0.3
149.05954	0.3
152.07040	0.3
163.03932	0.3
163.07399	0.2
175.07492	0.2
177.05463	0.6
190.04938	0.3
191.07111	0.3
196.06053	0.5
220.06018	24.7
221.06320	0.3
224.39465	0.2
232.63853	0.2
236.05647	0.3
238.07089	4.3
249.07549	0.3
250.07053	0.3
254.06651	0.6
256.08084	0.4
268.08127	0.8
315.04770	0.3
344.13422	3.5
345.09732	0.7
374.14157	0.2
382.11465	0.3
400.12335	8.2
401.12558	0.3
419.35208	0.2
450.09933	0.2
506.17563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23726	0.7
53.03937	4.4
55.01858	1.9
55.05504	12.1
57.03423	1.8
57.07070	40.8
65.03918	1.2
67.05495	28.7
69.03414	1.9
69.07058	10.7
69.53842	0.7
70.83665	2.3
71.04978	1.8
71.08624	29.2
79.05489	13.3
81.03410	83.2
81.06567	1.1
81.07047	29.1
83.04974	2.7
83.08611	30.8
85.06520	0.9
85.10169	17.6
91.05469	20.5
92.05784	0.7
93.07038	11.1
95.04350	1.0
95.04957	22.3
95.08601	28.3
97.02883	2.4
97.06512	1.5
97.10161	6.9
99.08060	1.4
99.11717	1.1
103.05480	0.9
105.07019	12.1
107.04945	5.9
107.08586	4.2
109.06513	2.9
109.10142	15.0
111.04436	1.3
111.08058	8.5
111.11700	2.2
115.05459	2.3
117.07011	1.8
117.70092	0.7
119.04929	1.4
119.08572	10.6
121.06495	2.3
121.10134	5.6
123.04417	1.4
123.08095	1.8
123.11694	6.2
125.09632	0.7
125.13247	1.6
128.06204	1.6
129.07008	9.5
131.08528	8.8
133.06494	2.7
133.10139	4.3
137.09612	1.4
137.13246	2.4
139.14867	0.7
139.59250	0.7
140.60422	0.7
142.07784	2.1
144.09085	0.7
145.10141	1.2
147.08028	2.8
147.11659	6.0
149.09592	4.9
149.13211	0.8
151.14830	0.9
157.10098	9.2
161.13252	0.9
165.12756	2.0
175.11179	9.3
193.12227	59.0
194.12527	0.9
199.07721	0.7
199.88947	0.7
221.22694	1.2
231.02834	1.3
231.13852	1.2
239.23665	10.8
245.04410	1.3
249.14844	7.1
367.15643	0.8
369.13605	0.9
413.15979	0.7
505.38876	100.0
506.39221	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	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01857	2.9
55.05504	13.0
57.03424	3.2
57.07067	44.3
57.07358	2.1
65.03930	2.8
67.05495	36.1
69.03436	1.6
69.07058	14.1
69.49487	6.0
69.49902	1.9
71.04970	1.5
71.08620	29.3
79.05484	17.8
81.03406	97.0
81.07046	35.1
83.04964	4.0
83.08118	1.6
83.08609	31.9
85.10168	21.5
91.05461	22.9
93.07036	10.4
95.04953	24.9
95.08594	33.8
95.09216	1.7
97.02873	4.6
97.10158	9.4
99.08103	1.2
99.11726	1.0
105.07015	14.8
107.04922	4.6
107.08594	5.7
109.06514	2.1
109.10136	22.7
111.04444	1.9
111.08062	9.0
111.11707	2.3
113.03451	1.5
115.05464	1.0
117.07005	2.9
119.08559	15.4
121.06494	3.2
121.10139	6.0
123.04427	1.5
123.08083	1.9
123.11669	6.9
125.09640	1.3
125.13275	1.5
129.06993	9.5
131.08559	9.3
133.06529	2.7
133.10091	7.0
137.09619	2.1
137.13271	1.9
141.16389	0.8
142.07770	2.7
143.08574	1.1
145.10153	2.6
147.08047	3.2
147.11653	9.5
149.09641	3.1
149.13239	1.5
157.10100	10.3
159.11771	1.2
161.13281	2.0
163.14870	0.9
165.12738	2.1
171.11690	1.0
173.11702	2.1
175.11153	12.3
185.13254	1.3
193.12219	66.4
195.00296	2.9
213.12779	1.1
229.14284	4.5
231.13702	2.1
239.23656	9.7
241.19485	2.0
249.14833	8.5
259.20480	6.7
294.57187	0.9
311.25690	1.1
329.57468	0.9
333.24380	2.6
470.04437	1.0
487.34067	1.6
505.25858	2.6
505.38846	100.0
506.39435	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	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02267	1.7
52.28585	2.0
53.03938	6.6
55.01853	2.0
55.05500	20.0
57.03426	2.2
57.07065	51.4
61.51316	1.8
67.05486	28.6
69.03426	1.8
69.06812	1.4
69.07065	15.5
70.88895	4.1
70.89230	2.2
71.08246	3.0
71.08617	30.4
79.05480	17.0
80.20222	1.7
81.03403	100.0
81.07042	40.2
82.88536	1.8
83.04954	4.0
83.08607	31.7
85.10164	19.6
91.05463	19.9
93.06995	11.3
95.04948	25.1
95.08584	32.5
97.10156	7.7
105.07019	15.3
107.04947	6.1
107.08601	4.3
109.06497	3.6
109.10144	12.0
111.04415	2.0
111.08057	8.5
111.11707	3.0
117.07010	2.9
119.08552	10.6
121.06430	2.6
121.10113	6.7
123.04424	1.8
123.08066	2.4
123.11686	7.0
129.06975	10.3
131.08527	9.2
133.06448	2.7
133.10150	5.4
137.09637	2.0
137.13213	3.5
142.07767	4.5
147.11682	7.7
149.09612	4.7
156.00859	2.0
157.10098	8.5
175.11140	9.0
193.12212	41.7
194.56416	1.9
195.74542	1.9
227.52168	2.0
239.23659	9.5
249.14879	7.8
317.26785	2.1
505.38812	94.2
506.39594	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03934	9.0
55.01852	3.9
55.05245	1.6
55.05505	38.9
57.03442	5.8
57.07067	48.3
57.49939	1.3
65.03917	4.8
67.05495	73.9
69.03410	4.0
69.07057	23.2
71.04969	4.4
71.08257	2.0
71.08622	33.9
71.35059	1.9
71.35381	1.3
79.05481	39.6
81.03407	100.0
81.07044	63.5
83.04958	5.2
83.08607	42.2
84.31398	1.3
85.06499	3.9
85.10171	19.2
91.04934	2.6
91.05463	37.9
93.06436	2.0
93.07031	35.2
95.04959	30.7
95.05566	0.8
95.08591	49.5
97.02882	1.9
97.06510	3.0
97.10154	27.3
99.08072	1.5
105.07017	29.6
107.04914	6.3
107.08576	21.9
109.06489	4.4
109.10137	40.2
111.08076	8.5
111.11685	2.4
115.05418	3.0
117.07019	7.1
119.04919	2.4
119.08560	28.0
121.06487	3.0
121.10128	15.2
123.07999	1.4
123.11703	7.8
125.09608	20.9
128.06201	1.7
129.06987	11.1
131.08546	15.8
133.10104	13.2
135.07996	2.5
135.11671	8.4
135.24908	1.2
137.09573	2.7
137.13242	3.6
142.07735	3.3
143.08449	2.2
143.10614	1.4
145.10126	6.9
147.08043	3.2
147.11667	15.7
149.09602	6.2
149.13223	6.5
149.71404	1.6
153.09117	1.9
157.10098	9.7
159.11647	5.7
161.05954	1.5
161.13217	5.5
162.20062	1.1
163.14830	2.8
165.12741	1.5
171.10136	1.4
171.11685	1.6
173.11714	5.4
173.13272	4.3
175.11160	7.9
175.14740	2.7
185.13263	2.6
187.14891	1.3
189.11176	19.0
193.12216	53.8
227.12738	14.4
229.14282	11.7
231.13788	1.5
239.23679	9.0
241.19391	6.9
243.21123	2.0
245.13669	1.3
249.14784	9.1
259.20493	13.7
261.22116	9.4
317.24728	2.0
333.24103	8.0
487.33823	4.7
505.39496	79.2
506.35272	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22920	0.7
51.47729	0.8
53.03933	3.2
55.01855	2.1
55.05503	16.6
55.10347	0.9
55.69899	1.0
55.90852	0.9
57.03207	0.8
57.03431	10.3
57.07050	2.1
59.04991	4.9
61.02920	1.1
65.03910	2.8
65.65013	0.8
67.05495	100.0
68.05824	1.6
69.03395	1.2
69.07059	9.3
69.25340	11.3
71.04977	4.0
71.08614	1.1
79.05479	30.1
80.06238	1.5
81.03407	2.6
81.07046	38.3
83.04990	1.7
83.08609	9.7
85.06533	5.2
87.04465	1.0
91.05465	42.8
93.07034	34.4
95.04940	5.3
95.08025	1.6
95.08596	22.7
97.06517	1.9
97.10182	5.0
99.08089	2.5
101.06092	0.8
101.48969	0.9
103.05455	1.8
105.07013	40.6
107.04953	1.4
107.08584	20.0
109.06502	1.6
109.10139	66.1
111.08057	3.2
113.09595	1.0
115.05431	1.3
117.07002	10.0
118.54655	0.8
119.08566	40.9
120.08940	1.0
121.06515	1.0
121.10123	14.4
123.04385	0.9
123.08056	1.9
123.11710	2.4
125.09630	4.2
128.06181	2.2
129.06985	6.2
131.08562	14.5
133.06529	1.2
133.10114	26.2
135.08038	1.4
135.11667	13.6
137.09592	4.4
142.07770	1.3
143.08580	5.6
145.10086	14.0
147.11676	31.4
149.09648	1.1
149.13228	6.6
155.10631	3.3
156.09280	1.0
157.10110	6.5
159.11668	11.3
161.06075	1.4
161.13234	21.4
163.03944	1.0
163.11093	1.8
163.14832	2.7
165.12769	1.2
169.10152	1.0
171.11687	7.9
173.11700	20.4
173.13240	8.3
175.11258	1.5
175.14799	9.5
177.12741	1.5
185.13202	6.7
187.14851	2.6
189.11172	2.1
189.12723	1.2
199.14796	4.4
209.09534	1.5
213.16423	1.8
217.19560	1.8
227.12695	5.9
229.14320	45.5
231.21014	6.9
241.19485	22.9
243.21053	1.3
257.18958	1.2
259.20538	61.9
260.20944	3.0
261.22046	2.4
269.07874	1.4
275.20059	1.0
277.21277	2.2
315.23096	5.0
333.24203	26.3
367.15262	1.6
385.12079	1.1
385.16586	1.2
394.21243	3.4
395.29333	1.5
413.30591	1.5
487.21469	1.0
487.34128	10.8
505.21060	2.0
505.34909	8.4
506.34479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
53.03937	8.2
55.01859	11.9
55.05504	42.8
55.37864	2.7
57.03421	7.7
57.07059	4.5
59.05009	2.8
59.70716	2.7
65.03934	5.7
67.05496	96.1
69.03427	4.9
69.07062	42.9
71.04968	8.9
71.60590	3.5
79.05484	71.8
81.03408	10.5
81.07044	100.0
83.04971	12.7
83.08605	22.8
85.06535	7.2
91.04928	6.6
91.05466	77.3
93.07033	76.9
94.73531	2.9
95.04945	17.1
95.08590	72.7
97.06522	14.6
97.10151	11.7
99.08077	7.1
103.05495	3.7
104.15961	3.1
105.07015	77.4
107.04987	14.7
107.08581	53.5
109.06525	14.4
109.10152	46.0
111.04408	2.7
111.08067	10.7
115.05458	6.2
117.06999	30.9
117.69447	2.6
119.08574	66.8
121.06465	7.1
121.10113	40.1
123.08048	13.6
123.11700	12.9
125.09621	7.9
128.06244	6.5
129.07005	19.0
130.07823	3.9
131.07668	4.7
131.08571	46.7
133.06456	7.8
133.10121	43.1
135.04396	3.7
135.08031	6.9
135.11674	16.1
137.09540	6.6
137.13214	3.4
141.06972	9.5
142.07774	6.1
143.08566	29.9
145.06433	4.3
145.10109	34.7
147.08023	9.1
147.11676	31.5
149.09618	13.6
149.13254	9.1
155.08501	14.6
156.09306	3.2
157.10127	31.8
159.08089	5.1
159.11667	26.5
161.09648	10.1
161.13321	14.1
163.11159	6.6
165.12753	6.9
167.08539	3.8
168.09332	4.6
169.10132	18.5
169.27563	3.7
171.11652	22.3
173.09575	6.3
173.11824	5.1
173.13254	13.6
175.11185	4.4
175.14807	5.2
177.05431	3.5
177.12737	4.1
181.10106	8.4
183.11668	22.4
185.09560	3.5
185.13255	11.0
187.14810	4.0
189.12720	3.4
193.09981	3.1
195.06522	9.8
195.11705	8.7
195.13713	4.1
197.09550	3.2
197.13246	12.1
199.14827	10.1
209.13214	6.4
211.14780	5.8
212.82121	3.0
221.13257	4.4
229.14276	5.5
235.14796	4.6
235.17021	7.9
241.19580	5.2
251.10765	3.3
257.19040	4.1
259.20651	9.8
261.18558	5.3
263.16431	10.2
263.20093	10.6
268.60724	3.2
275.20062	41.2
276.20355	3.7
276.51703	3.2
277.21622	8.0
289.21851	3.8
293.21112	8.8
301.21683	4.9
313.21722	9.3
327.23477	3.8
339.22983	3.4
341.25290	3.2
367.15280	3.9
385.16589	3.8
389.26563	3.4
394.21500	7.3
413.15933	4.2
415.29559	7.4
423.32730	4.7
433.31036	23.5
443.30960	3.8
451.32120	29.0
459.34583	9.1
469.33063	69.2
470.33615	5.1
487.34125	51.1
488.34341	3.7
505.11160	4.2
505.21133	4.9
505.35172	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	505.3521
Annotation	CHEBI:67912
Peak:m/z	Relative Intensity
53.03931	7.0
55.01867	13.7
55.05505	36.3
57.03425	8.2
60.77319	2.6
65.03918	5.3
65.22243	2.7
66.90538	3.0
67.05499	100.0
68.55378	2.8
69.03433	6.2
69.07064	35.6
70.43513	2.7
70.57172	2.9
71.04976	5.2
71.66127	4.6
73.02859	2.6
79.05486	54.4
79.34145	2.6
80.06290	4.0
81.03408	7.7
81.07051	82.2
83.04969	8.3
83.08622	20.8
85.06537	2.9
91.05466	64.3
93.07034	70.6
95.04956	16.0
95.08594	61.8
97.06523	12.9
97.10173	11.2
99.08102	5.9
101.73967	3.1
105.07018	70.5
107.04926	11.4
107.08584	41.1
109.06508	11.4
109.10153	43.0
111.08096	7.0
115.05457	7.2
116.86833	2.6
117.07014	30.6
119.08573	50.1
121.06544	7.9
121.10126	25.5
123.04449	4.0
123.08053	7.1
123.11681	8.6
125.09628	3.6
128.06201	3.9
129.06998	18.7
131.08559	42.8
133.06505	5.4
133.10123	46.3
134.10510	2.9
135.08020	10.6
135.11656	18.9
137.09641	5.9
141.06976	7.5
143.08545	18.2
145.10146	26.2
147.08041	4.1
147.11693	32.7
149.09576	5.3
149.13210	7.4
150.67119	2.8
151.11172	6.8
155.08508	14.7
157.10078	20.3
159.11670	28.6
161.09639	6.6
161.13229	8.7
162.66431	3.1
163.11140	6.4
164.53870	2.6
165.12715	6.8
167.08633	6.2
169.10133	13.0
171.11664	15.9
173.09544	5.4
173.11806	3.9
173.13254	10.1
175.11256	8.9
175.14822	4.6
177.05330	3.2
177.12810	6.2
181.10066	5.9
183.11713	14.0
185.13280	10.3
187.07585	3.7
187.11108	4.1
187.14880	5.4
191.06783	3.1
195.06543	11.1
195.11761	5.1
197.13297	9.4
209.13324	5.0
211.14975	4.1
223.14771	2.8
225.09120	4.1
229.14323	8.8
235.16986	5.1
237.14581	3.5
239.18127	4.2
241.19615	3.7
244.07768	3.1
257.19046	4.7
259.20609	14.5
263.16385	7.1
263.20135	5.3
271.21036	2.9
275.20035	33.7
277.21677	5.9
281.19028	4.2
283.05893	4.0
287.19971	4.3
291.19620	4.1
299.19980	3.6
301.21738	3.9
313.21613	4.2
315.23181	4.8
333.24408	5.2
394.21301	9.4
415.29169	9.3
423.32797	3.4
433.30978	21.0
443.31177	5.4
451.32047	26.3
459.34644	6.8
469.33148	57.3
470.33170	3.5
487.34439	38.7
505.20895	5.4
505.35196	15.6
524.25385	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01867	1.3
55.05501	16.8
57.03433	8.6
57.07069	5.5
59.04989	4.6
64.14282	0.9
65.03925	3.0
67.05495	100.0
69.03424	1.0
69.07056	8.3
71.04988	5.8
72.67341	1.0
79.05480	25.8
81.03406	2.9
81.06557	1.5
81.07046	35.8
83.08608	11.9
85.06528	4.2
91.05466	37.3
93.06441	1.9
93.07030	28.5
95.04967	5.1
95.08590	19.3
97.06477	2.0
97.10162	3.4
99.08076	2.7
101.05997	0.9
103.05505	1.3
105.07017	34.9
107.08581	18.9
107.09277	1.7
109.10139	67.8
109.96360	1.1
111.08065	3.8
115.05414	1.1
117.06992	8.7
119.08565	34.2
121.10131	8.4
123.11724	2.2
125.09607	2.6
128.06200	2.4
129.06923	6.2
131.08563	13.6
133.10109	27.2
133.11035	1.8
135.11681	9.8
137.09622	4.8
143.08522	5.1
145.10104	12.2
147.11664	26.8
149.09596	2.1
149.13254	8.7
155.10664	4.5
157.10112	4.5
159.11691	8.9
161.13216	18.4
163.14822	1.9
171.11636	7.3
173.11719	24.4
173.13245	7.1
174.12144	1.2
175.11218	1.6
175.14795	7.6
177.12794	1.6
185.13263	5.8
187.14796	3.1
189.11182	1.4
189.12701	1.1
193.12239	1.5
199.14827	3.4
203.14407	1.6
213.16455	1.4
215.17952	1.3
227.12785	3.2
228.12985	1.3
229.14319	50.9
231.21054	4.8
235.42960	1.1
241.19449	20.6
259.20541	50.8
261.22101	2.6
275.20245	1.3
277.21524	1.9
315.23148	4.0
333.24155	28.2
334.24640	1.2
395.29346	1.3
413.30692	2.2
429.57581	1.2
487.34024	8.5
505.34540	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01873	1.9
55.05250	0.8
55.05507	14.6
56.60217	0.8
57.03204	0.8
57.03429	8.2
57.07060	1.8
59.04993	4.2
61.17425	0.7
64.65688	0.8
65.03927	2.0
67.05498	100.0
68.38828	0.7
69.03403	1.1
69.07060	7.9
70.85688	2.0
71.04967	3.5
71.08602	1.3
79.05484	22.6
81.07043	28.4
82.96331	0.7
83.04973	0.9
83.08611	8.4
85.06534	3.4
91.05466	31.9
93.07033	24.8
95.04965	3.6
95.08597	16.5
97.06523	1.3
97.10146	2.5
99.08089	2.1
105.07017	28.7
107.08578	16.8
109.06491	1.6
109.10142	71.1
110.10508	1.1
111.08055	3.0
115.05383	1.0
117.07016	8.0
119.08566	32.7
119.09428	1.8
121.06445	0.9
121.10147	9.3
123.11670	1.6
125.09604	3.1
127.11150	1.0
128.06227	1.5
129.05498	0.9
129.06976	4.8
131.08556	12.0
133.10117	20.8
135.08122	1.1
135.11681	10.3
137.09616	3.4
139.07094	0.8
143.08536	5.6
145.10121	10.1
147.11678	24.7
149.13242	6.9
155.10634	5.0
157.10095	5.4
159.11699	9.1
161.13246	20.0
163.11177	1.0
163.14790	2.8
171.11731	7.1
173.11713	21.9
173.13249	7.0
175.14801	8.7
177.12721	1.3
185.13235	6.8
187.14772	2.0
189.11174	2.0
189.12755	0.9
199.14821	3.7
201.16313	0.8
213.16368	2.0
215.17918	1.8
217.19534	1.1
227.12778	6.1
229.14323	56.0
230.14632	1.5
231.21127	4.9
233.66240	0.8
241.19470	22.2
242.19601	1.3
243.20969	1.1
257.19006	1.2
259.20547	52.6
260.20908	1.8
261.22101	2.8
275.20154	0.8
277.21585	1.4
300.98782	0.8
315.23175	4.9
333.24203	25.0
351.25311	1.6
378.81958	0.8
395.29434	2.2
413.30420	2.9
487.34216	8.6
505.35080	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72427	1.5
53.03929	3.2
55.01864	2.5
55.05503	14.9
57.03426	9.3
59.04997	3.9
59.36949	1.5
65.03927	4.1
67.05495	100.0
68.05804	1.8
69.07069	10.0
71.04984	4.4
71.63948	2.9
79.05083	2.7
79.05491	28.0
81.03389	2.4
81.07049	33.8
83.04948	2.8
83.08595	6.7
85.06550	3.3
91.05466	41.4
93.07035	34.1
95.04955	5.7
95.08597	22.4
97.06528	3.6
97.10130	4.6
105.07014	38.7
107.08577	18.3
109.02714	1.4
109.06510	2.8
109.10136	63.6
111.08060	5.7
117.07014	9.1
119.08564	35.4
121.10124	17.3
123.08043	2.2
123.11634	2.3
125.09618	1.7
129.07004	6.6
131.08563	13.6
133.10101	26.1
135.08023	1.8
135.11667	10.7
137.09630	6.2
143.08568	5.9
145.10135	12.6
147.11662	27.3
149.09633	2.1
149.13248	6.5
155.10684	4.1
157.10109	7.0
159.11647	10.1
161.13219	19.4
163.14844	4.5
167.55565	1.5
171.10353	1.5
171.11705	7.2
173.11725	20.8
173.13261	7.1
175.14832	7.2
177.16469	1.6
185.13216	7.1
189.11140	2.7
199.14706	3.5
201.16296	1.9
204.80153	1.9
225.09035	1.9
227.12766	6.9
229.14313	47.3
229.16444	3.3
230.14680	2.6
231.21048	3.6
241.19482	20.5
259.20523	47.2
271.06134	1.6
277.21640	2.3
309.82068	1.6
315.23212	4.1
333.24176	23.7
334.24640	2.3
339.16171	1.7
355.79608	1.5
394.21301	5.6
413.16641	1.8
413.30429	2.7
487.20709	1.7
487.34070	7.5
505.21164	2.7
505.27954	3.6
505.35278	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	505.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	12.7
57.03408	4.7
59.50285	3.9
60.24085	4.0
67.05497	25.0
69.07058	29.9
70.06580	4.2
71.66479	5.8
78.14150	4.8
79.05482	24.0
81.03376	10.1
81.07042	36.7
83.08570	5.7
83.68226	4.1
85.02895	4.5
85.06522	8.9
90.39771	3.8
91.05462	24.2
93.07019	34.5
95.04948	9.0
95.08610	24.6
97.02829	6.4
97.06493	6.1
99.08109	7.6
103.05435	4.5
105.07017	22.7
107.08570	16.9
109.10139	17.0
111.11701	6.3
117.03326	6.1
119.08557	8.6
120.07969	4.9
121.10117	18.2
122.03613	9.7
123.11709	10.8
127.03881	6.2
131.04898	7.5
131.08530	8.2
133.06494	5.8
133.10136	10.4
135.11690	20.2
137.05962	100.0
139.11115	7.7
143.08682	4.9
145.02824	14.9
147.04395	5.7
147.11641	6.4
149.09608	9.9
149.13272	4.4
151.07512	10.6
153.12666	10.3
159.11684	7.9
161.05956	15.9
163.07535	10.6
168.05867	4.0
173.05965	16.6
175.07510	8.6
177.05447	19.2
181.06516	7.1
185.05940	8.9
187.07491	7.0
188.68764	4.7
199.07445	15.9
203.03375	5.8
209.06000	5.4
211.07567	5.5
213.05470	7.1
213.09056	6.2
213.18466	5.4
217.04958	5.4
223.07448	5.5
231.02869	23.3
237.09204	4.3
239.07056	4.8
245.04399	15.1
255.06592	5.4
256.14502	7.9
257.04489	12.0
268.07281	4.8
271.05878	12.8
283.06015	8.7
284.13925	6.0
289.25275	10.2
299.12622	5.1
307.26266	7.3
325.27240	12.1
331.08380	4.5
347.05716	4.5
349.14444	4.5
351.12262	7.6
367.15472	11.5
369.13470	21.4
377.13620	6.2
387.14197	6.1
395.14661	11.7
413.15762	19.0
487.20340	7.4
505.10828	6.1
505.21588	9.8
514.94647	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	505.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.4
55.01855	6.3
55.05510	32.7
57.03429	16.8
57.07074	7.5
59.04988	6.0
60.53893	3.0
67.05496	54.8
68.38841	3.8
69.03415	8.7
69.06689	6.4
69.07058	94.7
69.36816	7.3
69.37218	31.1
70.06580	5.5
70.53701	3.6
71.04969	4.5
73.25997	3.1
79.05486	60.3
81.03395	14.8
81.07043	100.0
82.07343	4.5
82.92675	3.0
83.04956	7.7
83.08607	20.9
85.02886	23.2
85.06523	15.4
87.99261	3.4
91.05473	42.7
93.07030	67.8
95.04943	14.3
95.08596	64.8
97.02888	34.3
97.06498	15.5
97.10133	13.6
98.03214	4.5
99.08064	9.6
103.05447	9.1
105.03377	3.6
105.07012	40.4
107.04949	9.1
107.08585	50.4
109.02873	4.0
109.10137	45.8
111.08070	8.5
111.11705	28.4
113.09576	5.8
115.05471	4.7
117.03356	4.7
117.06993	8.0
119.04906	5.2
119.08563	24.9
121.06502	8.6
121.10128	50.8
123.04425	4.3
123.08034	3.7
123.11684	29.3
125.09577	7.9
127.03886	5.0
129.06970	7.8
131.04898	13.4
131.08583	17.4
133.10103	28.8
135.11678	43.9
137.05954	38.1
137.09589	6.9
137.13232	5.9
139.11134	18.2
143.10661	3.5
145.02814	17.4
145.06442	5.5
145.10104	11.7
147.04402	14.7
147.11678	20.5
149.05989	4.8
149.09590	12.8
149.13290	17.5
151.07524	11.6
151.11151	4.6
153.12737	25.0
159.04384	12.1
159.11658	13.9
161.05937	16.0
161.13252	11.0
163.07516	12.3
163.14781	6.6
167.07039	9.7
169.06340	3.7
171.04465	3.7
173.05917	22.2
173.13196	4.2
175.03889	6.1
175.07561	4.7
175.14780	5.2
177.05447	27.9
177.16374	4.1
178.06192	3.9
179.07098	5.4
179.14243	4.8
181.06927	3.2
181.08545	17.2
185.05952	15.1
187.07564	9.9
187.14815	5.2
189.05463	5.2
189.16406	6.3
191.03424	4.1
193.12193	5.6
195.08138	4.1
197.05952	7.5
199.03845	5.7
199.07594	22.4
200.08098	4.3
201.05458	5.1
203.03398	10.0
205.08572	3.9
211.07643	8.1
213.05452	6.0
225.05438	4.8
225.09073	4.5
227.06987	6.6
229.04895	8.4
231.02846	40.2
233.04440	7.4
239.06889	5.7
239.19943	5.5
242.12982	6.7
245.04385	30.0
246.04912	3.8
257.04501	17.1
265.08621	4.5
271.05994	21.4
271.24182	7.3
283.06064	7.5
284.14233	6.8
285.07663	8.3
289.25214	25.6
295.26254	21.3
307.26135	25.2
315.04865	7.2
325.14380	9.3
325.27325	27.5
341.13699	6.0
345.09641	14.8
349.14087	6.8
351.12170	15.2
351.15921	4.2
367.15314	21.0
369.13284	35.0
377.13690	7.0
385.16254	14.0
387.14279	11.4
395.14816	14.5
396.14890	4.5
413.15948	32.5
431.17093	9.8
487.19577	11.5
505.10870	23.9
505.20724	11.6
506.11768	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	505.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.4
55.01855	6.3
55.05510	32.7
57.03429	16.8
57.07074	7.5
59.04988	6.0
60.53893	3.0
67.05496	54.8
68.38841	3.8
69.03415	8.7
69.06689	6.4
69.07058	94.7
69.36816	7.3
69.37218	31.1
70.06580	5.5
70.53701	3.6
71.04969	4.5
73.25997	3.1
79.05486	60.3
81.03395	14.8
81.07043	100.0
82.07343	4.5
82.92675	3.0
83.04956	7.7
83.08607	20.9
85.02886	23.2
85.06523	15.4
87.99261	3.4
91.05473	42.7
93.07030	67.8
95.04943	14.3
95.08596	64.8
97.02888	34.3
97.06498	15.5
97.10133	13.6
98.03214	4.5
99.08064	9.6
103.05447	9.1
105.03377	3.6
105.07012	40.4
107.04949	9.1
107.08585	50.4
109.02873	4.0
109.10137	45.8
111.08070	8.5
111.11705	28.4
113.09576	5.8
115.05471	4.7
117.03356	4.7
117.06993	8.0
119.04906	5.2
119.08563	24.9
121.06502	8.6
121.10128	50.8
123.04425	4.3
123.08034	3.7
123.11684	29.3
125.09577	7.9
127.03886	5.0
129.06970	7.8
131.04898	13.4
131.08583	17.4
133.10103	28.8
135.11678	43.9
137.05954	38.1
137.09589	6.9
137.13232	5.9
139.11134	18.2
143.10661	3.5
145.02814	17.4
145.06442	5.5
145.10104	11.7
147.04402	14.7
147.11678	20.5
149.05989	4.8
149.09590	12.8
149.13290	17.5
151.07524	11.6
151.11151	4.6
153.12737	25.0
159.04384	12.1
159.11658	13.9
161.05937	16.0
161.13252	11.0
163.07516	12.3
163.14781	6.6
167.07039	9.7
169.06340	3.7
171.04465	3.7
173.05917	22.2
173.13196	4.2
175.03889	6.1
175.07561	4.7
175.14780	5.2
177.05447	27.9
177.16374	4.1
178.06192	3.9
179.07098	5.4
179.14243	4.8
181.06927	3.2
181.08545	17.2
185.05952	15.1
187.07564	9.9
187.14815	5.2
189.05463	5.2
189.16406	6.3
191.03424	4.1
193.12193	5.6
195.08138	4.1
197.05952	7.5
199.03845	5.7
199.07594	22.4
200.08098	4.3
201.05458	5.1
203.03398	10.0
205.08572	3.9
211.07643	8.1
213.05452	6.0
225.05438	4.8
225.09073	4.5
227.06987	6.6
229.04895	8.4
231.02846	40.2
233.04440	7.4
239.06889	5.7
239.19943	5.5
242.12982	6.7
245.04385	30.0
246.04912	3.8
257.04501	17.1
265.08621	4.5
271.05994	21.4
271.24182	7.3
283.06064	7.5
284.14233	6.8
285.07663	8.3
289.25214	25.6
295.26254	21.3
307.26135	25.2
315.04865	7.2
325.14380	9.3
325.27325	27.5
341.13699	6.0
345.09641	14.8
349.14087	6.8
351.12170	15.2
351.15921	4.2
367.15314	21.0
369.13284	35.0
377.13690	7.0
385.16254	14.0
387.14279	11.4
395.14816	14.5
396.14890	4.5
413.15948	32.5
431.17093	9.8
487.19577	11.5
505.10870	23.9
505.20724	11.6
506.11768	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	505.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06748	2.5
53.03939	4.2
55.01873	6.2
55.05504	20.4
57.03420	17.9
58.35714	2.4
65.03912	2.7
67.05499	21.2
68.99783	3.7
69.03410	3.9
69.07054	9.8
79.05475	31.5
79.87297	2.3
81.03410	8.4
81.06603	3.7
81.07047	30.5
83.04957	7.3
83.08595	7.3
85.02904	5.8
86.06987	2.4
91.05463	29.5
93.07034	12.5
95.04969	12.6
95.08581	16.9
97.02864	7.6
97.06504	7.9
97.10118	4.5
103.05464	5.3
105.03373	2.8
105.07012	20.4
107.04929	5.4
107.08577	5.8
109.02849	3.3
109.06486	3.4
109.10145	5.3
111.08072	2.8
115.05450	12.5
117.03357	11.2
117.04955	2.3
117.07001	6.0
119.08569	8.1
119.09435	2.4
121.06517	4.2
121.10133	6.9
122.03621	3.5
123.04428	8.8
123.08069	5.3
124.03965	4.5
125.09605	6.3
128.06212	3.7
129.06975	8.4
131.04958	7.4
131.08577	7.3
133.06468	11.6
133.10129	9.5
135.11617	3.1
137.02324	9.4
137.05969	23.9
139.05409	4.1
141.06972	8.8
143.04926	9.3
143.08510	4.7
144.05737	3.7
145.02841	20.2
145.06438	6.3
145.10149	3.4
147.04430	8.4
147.11652	8.3
148.05179	6.4
149.05968	7.2
151.03909	2.6
151.07477	3.7
153.06985	18.7
155.04959	3.7
155.08533	9.7
156.05717	3.7
157.06480	9.2
157.10133	5.4
159.04433	7.3
160.05188	14.0
160.82446	2.4
161.04723	4.9
161.05962	55.0
162.06740	10.2
165.06993	20.0
167.08568	16.0
168.05739	5.9
169.06448	18.5
171.08064	6.3
172.05167	14.2
173.05963	56.0
174.06741	17.7
175.03911	8.6
175.07486	7.6
175.11203	2.8
177.05453	38.0
178.06287	3.5
179.08514	6.3
181.06456	40.2
181.10033	3.5
182.07262	3.4
183.04453	3.7
183.08070	10.4
185.05974	21.6
186.06766	16.4
187.03853	3.4
187.07477	16.6
188.08273	4.8
189.05441	10.8
190.06279	3.5
191.08559	5.4
193.06447	16.6
193.12239	4.3
194.07236	5.2
195.08055	20.8
197.05946	23.6
197.09607	3.1
198.06755	6.7
199.07510	43.8
200.08217	8.9
201.05455	11.4
201.09113	7.7
203.03363	6.9
203.06938	3.3
205.06493	4.6
205.10040	2.7
207.08005	4.9
209.05984	15.4
209.09535	3.7
209.13329	2.6
210.06723	10.0
211.07497	55.6
212.08168	4.8
213.05432	12.4
213.09058	28.9
214.09888	3.2
215.06932	5.9
215.10655	3.6
217.04883	5.6
219.08057	10.2
221.05957	9.8
221.09692	2.9
223.07520	21.9
224.08217	4.5
225.05511	14.9
225.09096	9.2
226.06189	2.6
227.07016	12.9
227.10603	5.1
228.11427	3.0
229.04958	5.0
233.04402	11.0
233.09599	5.9
235.07495	9.0
237.05457	10.2
237.09079	9.9
238.10014	2.9
239.07031	19.1
241.04959	12.3
241.08640	3.2
243.06412	6.1
247.07547	7.0
248.08218	3.0
249.09161	4.0
251.07013	10.0
251.10622	3.4
253.04991	14.3
253.08514	5.6
255.06462	19.3
255.13739	5.8
256.14554	60.2
257.04413	6.8
257.08063	5.2
259.05975	4.7
261.09161	2.9
263.07028	4.8
265.04980	5.3
265.08371	4.1
265.12360	3.5
266.13028	17.8
267.06314	12.2
269.08057	7.0
271.05911	7.1
279.06613	15.3
279.09424	3.0
279.13687	3.2
283.05991	100.0
283.13217	7.9
284.06268	2.9
284.14026	63.2
285.07617	4.1
291.13879	3.7
293.07993	5.0
293.15359	6.7
297.07599	9.3
297.11096	3.0
302.15106	26.8
303.13718	8.7
305.15311	5.5
307.09479	3.5
309.09836	4.6
311.08957	2.9
314.96976	2.6
321.14822	29.7
323.12814	4.1
323.16461	4.4
325.14264	7.2
331.13321	9.9
333.14731	5.6
335.12848	3.5
339.15860	15.9
343.07874	3.9
349.14258	34.4
353.13675	3.8
359.12772	9.1
367.15323	33.9
369.13437	4.9
377.13748	46.5
395.14819	32.5
413.15948	9.2
487.19321	12.8
505.20789	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	505.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47126	5.1
53.03936	9.4
53.87542	5.6
54.46063	4.4
55.01859	13.0
55.05494	15.6
55.63477	5.0
57.03412	16.8
67.05495	50.4
69.03423	6.6
69.07040	12.2
71.18253	5.4
79.05476	72.0
79.97644	5.2
81.03397	23.6
81.07043	50.9
83.04971	12.0
86.09663	6.3
91.05464	91.3
93.07034	45.4
95.04929	26.3
95.08595	19.7
96.08095	6.8
97.06522	15.3
103.05450	11.8
105.07018	57.8
107.04945	12.3
107.08571	17.7
109.06510	7.8
109.10100	9.2
110.09680	12.7
115.05456	9.0
116.51778	6.2
119.04902	7.4
119.08547	32.2
120.08083	6.9
121.10102	16.5
129.06976	25.9
131.04915	26.2
131.08565	28.7
132.05568	5.8
133.10121	49.7
135.11703	8.3
136.11346	5.8
137.05956	18.0
137.09535	6.5
138.09113	13.7
141.07028	7.8
145.02850	15.2
145.06419	8.1
147.04395	17.0
147.11652	39.7
149.13130	6.0
153.06952	8.6
157.06358	6.1
157.10091	25.3
159.04381	19.1
160.05180	6.4
166.08618	20.3
172.03966	9.5
173.05946	19.0
175.03853	12.4
175.11200	34.2
177.05463	17.6
177.12660	6.5
185.05917	24.8
191.03383	16.3
193.12190	14.2
199.07550	64.6
203.03386	12.2
211.07520	14.7
218.94107	6.7
225.05528	6.5
229.93571	7.0
231.02863	41.2
245.04431	45.0
245.07838	6.4
257.04398	30.4
271.05966	61.4
275.05194	7.8
283.05951	19.0
285.07678	9.8
289.07047	12.4
297.07553	20.3
299.09332	8.0
311.09143	8.2
341.10986	10.1
367.15442	14.9
369.13181	10.0
377.14114	26.1
395.14795	100.0
413.15762	44.0
415.14197	6.6
431.17053	8.2
469.18533	10.9
487.19373	19.7
505.20514	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	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.9
55.05503	41.7
57.03428	2.6
57.07054	14.8
65.86205	2.4
67.05490	15.0
69.07055	44.8
71.08607	11.0
71.36945	4.5
75.60413	2.1
79.05486	12.4
80.94290	2.4
81.03405	100.0
81.07022	13.3
83.04974	5.1
83.08606	59.7
85.10178	3.3
91.05461	21.5
93.07035	8.2
95.04950	29.6
95.08602	7.3
97.02891	3.5
97.06498	2.6
97.10155	27.3
98.99206	2.3
101.56450	2.4
105.07001	14.3
107.04931	4.8
107.08584	3.1
109.10155	2.7
111.08060	9.5
111.11708	10.6
115.05422	2.9
117.07026	2.6
119.08570	9.3
121.10111	4.4
125.13180	3.5
129.07001	10.8
131.08534	6.9
142.07765	3.5
147.07936	4.0
147.11719	6.3
149.09641	2.9
157.10130	10.3
162.61932	2.6
175.11145	11.8
175.50700	2.8
187.63049	2.6
193.12210	47.3
233.81018	2.3
249.14833	6.5
284.13824	2.6
503.37280	92.1
504.37244	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	505.1334
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
51.81652	0.3
53.03932	0.9
55.01854	0.6
55.05497	0.8
57.03411	1.1
58.56812	0.3
62.91216	0.2
65.03947	0.5
67.05495	2.9
68.99777	0.9
69.03414	1.8
69.07047	0.9
71.04982	0.6
73.02917	0.3
79.05483	4.2
81.03403	4.2
81.06615	0.3
81.07051	3.3
83.04947	0.5
83.08604	0.7
85.02907	1.7
85.06501	0.3
87.00811	0.5
91.05460	7.0
93.07029	3.7
95.04961	1.2
95.08601	1.7
97.02884	1.3
97.06503	0.5
99.04433	0.4
105.01868	0.7
105.07010	3.0
107.04938	1.1
107.08576	1.1
109.02860	1.9
109.06456	0.4
109.10133	1.0
111.04413	1.1
111.08096	0.3
115.05456	0.4
117.03351	2.3
117.07014	0.6
119.04928	7.2
119.08576	1.7
121.06476	0.7
121.10123	2.1
123.04427	1.6
123.11652	0.3
127.03873	2.4
129.07002	0.9
131.04913	0.5
131.08542	2.0
132.09303	0.4
133.10100	2.1
135.04404	0.8
135.08067	0.3
135.11650	0.5
137.02313	58.6
137.09634	0.3
138.02623	0.7
145.02840	0.6
145.04912	0.5
145.06511	0.6
147.04385	25.4
147.11691	1.6
149.09622	0.9
153.06963	0.4
155.03380	3.9
155.08527	0.5
157.06490	0.5
157.10097	1.2
159.02951	0.7
159.04402	1.7
160.05174	0.5
161.06000	0.5
163.03848	2.2
165.06944	1.0
165.12677	0.3
169.06517	0.4
170.16870	0.3
171.08046	0.6
173.05978	1.5
175.03850	0.6
175.11113	1.5
177.03949	0.3
177.05434	0.9
177.12666	0.3
181.06424	0.3
183.08028	0.9
185.06024	1.4
187.07484	0.8
189.05441	0.3
191.03406	0.7
193.12233	0.9
197.05978	1.1
199.07524	2.4
201.05444	0.4
203.03368	0.9
211.07504	4.7
215.07030	0.6
217.04948	0.3
227.06895	0.4
229.05037	0.3
231.02892	2.7
239.06990	4.6
242.05746	1.7
242.07858	0.3
245.04436	3.1
257.08044	100.0
258.08444	2.0
267.15793	0.6
271.05939	2.8
283.05957	1.0
285.07611	0.7
289.07004	0.3
297.07550	1.0
311.09064	0.5
341.13885	0.5
351.12189	0.8
367.15179	0.6
369.13254	2.5
377.13785	0.9
387.14359	0.8
395.14795	3.6
413.15955	3.2
419.13196	0.6
431.17041	0.6
469.18439	0.6
487.19623	1.1
505.11984	1.3
505.20743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07051	1.0
53.03932	3.8
55.01876	6.9
55.05504	21.0
57.03427	4.8
57.07061	2.1
59.04989	2.5
60.54077	1.0
60.65776	1.0
62.87489	1.0
65.03925	3.8
67.05495	100.0
69.03418	2.0
69.07059	14.9
71.04985	3.8
71.66117	1.3
71.66505	1.0
79.05485	33.1
81.03416	5.4
81.07045	45.1
83.04967	6.2
83.08611	12.6
85.06537	3.3
91.05457	34.5
93.07033	28.7
95.01348	1.1
95.04967	8.2
95.08589	20.6
97.02838	1.1
97.06536	6.5
97.10139	5.1
105.07017	28.3
105.07723	1.5
107.04932	8.1
107.08578	23.5
107.09239	1.7
109.06499	5.7
109.10138	59.1
111.08077	4.3
115.05469	2.0
117.07007	11.4
119.08568	24.1
121.06514	3.6
121.10120	10.7
123.08051	2.9
123.11716	3.5
125.09638	4.0
128.06212	2.2
129.07011	6.4
130.07790	1.7
131.08549	17.6
133.06487	2.0
133.10114	19.5
135.08061	2.4
135.11674	5.4
137.09622	4.3
141.07004	2.3
143.08531	6.2
145.02824	1.6
145.06430	1.1
145.10098	24.5
147.07939	1.3
147.11685	10.8
149.09589	8.1
149.13290	3.3
149.53064	1.0
153.33704	1.0
155.08568	3.1
155.10695	1.9
157.10120	4.1
159.11665	12.0
161.09633	2.1
161.13249	4.8
163.11179	6.2
167.05630	1.5
169.10133	3.5
171.11696	6.3
173.09621	2.0
173.10229	1.5
173.11765	14.8
173.13283	5.3
175.11116	1.4
177.05438	3.2
177.12721	3.9
179.14343	4.1
183.11714	4.6
185.13313	2.1
187.11163	2.8
189.11189	2.5
189.12691	1.4
195.11649	1.6
195.13870	1.7
197.13309	3.8
215.17949	1.5
227.12756	2.3
229.14276	6.3
229.19514	2.1
239.17865	4.8
241.14389	2.2
247.20575	1.8
257.18976	16.6
259.20663	2.9
261.18341	1.8
275.20044	36.0
276.20435	1.0
279.15869	5.7
293.21201	3.0
299.06232	2.3
306.63614	1.0
313.21722	1.1
331.22516	5.1
349.24084	1.8
393.27890	1.7
411.28952	2.7
429.30319	2.0
485.32874	7.7
503.33713	54.5
504.34265	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86506	1.4
53.03938	1.5
54.65658	1.5
55.05499	13.8
57.03425	2.9
57.07071	3.1
57.10817	1.8
59.04985	5.2
61.02909	3.1
67.05496	9.7
69.03430	7.9
69.07059	100.0
69.43443	15.7
71.04974	3.1
76.21339	1.7
79.05475	10.0
81.03394	3.2
81.07038	19.9
83.04973	2.0
83.08614	4.1
85.02900	20.8
85.06531	2.6
91.05463	16.7
93.07025	22.1
95.04955	5.7
95.08593	16.7
97.02864	9.3
97.06527	5.9
97.10139	3.3
98.20699	2.1
99.04449	2.2
99.08075	1.8
105.07013	31.6
107.08591	13.7
109.02840	2.9
109.06499	3.0
109.10137	12.5
111.11704	26.5
115.03970	1.7
117.06949	1.9
119.08564	17.7
121.10127	35.9
123.11676	6.1
127.03931	2.3
129.06889	1.7
129.12732	3.1
131.08542	8.9
133.10112	74.1
135.11679	5.4
137.05962	2.5
137.13219	2.4
139.11182	19.5
143.08533	1.6
145.02824	1.5
145.04953	3.5
145.10120	8.9
147.11658	7.9
149.13234	7.7
151.03867	3.5
151.11143	4.9
157.10133	6.0
157.12219	4.2
159.11633	7.5
161.13243	2.7
167.14462	2.0
171.11604	2.4
173.13222	3.7
175.11143	8.3
178.06276	2.1
187.14784	1.7
195.17358	1.8
211.16803	2.0
213.16264	1.6
249.15514	1.5
255.10220	3.1
256.17938	1.7
257.22717	1.6
275.23642	9.3
279.22873	1.5
287.23721	5.2
305.24731	6.3
323.25781	4.9
341.06607	1.8
341.26837	2.7
367.04797	1.8
371.11383	2.2
378.82648	1.6
395.03610	2.1
399.10422	2.4
425.08191	3.1
471.08746	1.8
503.11899	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	503.118
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
52.48280	0.7
55.05510	0.8
57.03392	0.6
61.02896	1.3
65.03922	0.6
67.05460	0.7
69.03402	1.1
70.06560	1.7
71.00019	1.5
71.00362	0.6
72.08114	0.8
76.82042	0.6
77.30887	0.6
78.72492	0.8
79.05460	1.4
81.03359	1.5
81.07013	1.4
84.08115	1.1
85.02851	2.6
86.09698	3.3
91.05421	1.5
91.51321	0.6
92.54362	0.6
95.04944	1.2
97.02872	3.8
109.02844	0.8
113.05972	0.8
115.05446	1.0
117.06950	0.8
119.04942	3.1
119.08485	0.7
120.08031	1.2
121.02842	5.4
121.06583	0.7
122.03611	1.4
123.04413	0.9
127.03870	0.8
131.04869	1.3
133.02779	0.8
137.05922	2.1
145.02846	4.3
147.04391	1.9
149.02322	4.4
151.03860	1.6
161.05948	0.9
163.03889	0.7
165.06981	0.9
166.07172	0.9
166.74281	0.7
167.03416	6.2
167.05515	1.0
171.04436	0.7
175.03879	1.9
175.07445	0.7
177.05426	2.5
179.03371	2.1
187.03824	0.6
189.05429	1.5
199.07497	0.6
201.05426	2.4
203.75655	0.7
211.07588	1.0
213.05365	1.0
215.13968	0.7
226.06255	1.2
239.06996	17.5
239.09122	0.7
240.07770	12.3
245.04366	1.6
251.07069	0.8
252.07780	2.0
255.06506	4.5
261.14178	0.8
267.06482	48.0
268.07254	44.4
269.08057	3.1
277.08554	0.8
279.06488	18.8
279.09573	0.6
281.08051	20.0
281.11145	1.4
282.08386	1.1
291.06503	0.8
292.07236	3.7
293.07986	2.9
295.05933	4.5
297.07544	100.0
298.07913	2.3
299.06149	1.6
305.07861	0.7
307.06061	1.4
307.09586	13.0
309.07599	5.6
311.09329	1.5
317.08020	0.7
319.46341	0.8
321.07520	12.4
327.08600	9.0
335.09204	5.2
339.08548	0.9
345.07379	1.1
351.08530	1.6
363.08514	10.8
381.09552	6.2
399.10571	3.0
405.09845	0.9
417.11832	5.6
423.10696	15.4
441.11804	16.2
459.12750	10.0
467.09610	4.8
475.10663	0.8
477.64096	0.7
485.10767	12.5
503.11737	55.4
503.18729	2.0
504.11954	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	503.1179
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
64.38425	0.1
67.01848	0.6
67.83610	0.1
68.39796	0.1
68.99796	0.4
69.03427	0.2
70.84588	0.3
79.05473	0.1
81.03412	0.2
81.07042	0.3
85.02878	0.2
93.07045	0.1
95.04940	0.1
95.08613	0.2
97.02862	0.3
97.06541	0.1
97.30269	0.1
98.21045	0.2
103.05450	0.5
105.03400	0.3
105.07000	0.1
105.89463	0.1
109.02889	0.2
119.08583	0.2
121.10163	0.1
125.75021	0.1
127.03885	0.2
128.07053	0.1
129.03348	0.5
129.06947	0.1
131.08589	0.1
137.05936	0.3
147.04390	0.6
151.03918	0.2
153.00671	0.2
153.01810	2.7
171.02890	0.4
171.04353	0.2
186.06706	0.1
187.07594	0.2
209.05949	0.5
213.05418	0.2
231.06430	0.2
255.06479	100.0
256.06839	2.0
267.06488	0.1
417.11722	0.7
503.11722	1.7
503.18411	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	503.1176
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.24771	0.1
55.01844	0.1
55.05511	0.2
65.03952	0.2
65.51579	0.1
67.05475	0.4
68.99786	0.4
69.03406	0.4
69.07056	0.2
69.32184	0.7
69.32616	0.7
81.03384	0.3
81.07034	0.4
85.02895	0.6
86.09685	0.2
91.05447	0.9
93.07039	0.3
95.04939	0.2
95.08585	0.2
97.02872	0.3
97.86031	0.1
99.04443	0.2
99.08112	0.1
103.03907	0.2
105.07014	0.2
107.04951	0.1
107.08581	0.3
109.02859	0.2
109.06460	0.3
109.10146	0.2
111.04434	0.3
115.03931	0.2
119.04907	1.2
121.02850	0.1
121.10104	0.2
127.03914	0.6
128.06183	0.2
128.29144	0.1
129.06972	0.4
131.08519	0.2
132.27260	0.1
133.02779	0.2
133.10150	0.1
135.11691	0.3
137.02312	4.4
137.05922	0.5
141.06975	0.2
143.08585	0.3
145.02827	1.6
145.04945	0.2
147.04355	0.2
149.02332	0.2
152.06230	0.1
153.06964	0.6
155.03363	0.5
157.06462	0.7
161.05856	0.2
163.06021	0.1
165.06979	0.1
167.05588	0.1
169.06454	0.2
171.08043	0.6
175.07500	0.2
181.06485	1.2
185.05925	0.2
197.05959	0.2
197.11620	0.2
199.07510	5.1
200.07854	0.2
209.05832	0.2
211.07524	0.2
227.06963	2.5
237.05444	1.0
242.69019	0.1
255.06477	100.0
256.06827	2.5
305.24792	0.1
324.07352	0.1
503.11551	0.7
503.20142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.8
65.82349	1.8
68.13612	2.4
69.03414	11.0
69.63194	1.7
69.74580	5.1
69.74989	10.5
72.20513	2.3
76.29128	1.8
80.82977	2.1
81.03397	3.8
85.02895	16.6
85.06522	2.7
97.02853	6.8
98.97566	4.5
108.08074	2.4
111.04395	4.6
116.98595	2.7
119.04910	3.0
134.99622	3.5
136.07568	3.9
146.08398	2.1
147.04379	10.1
147.09175	3.0
161.05910	3.9
174.07846	12.8
175.08582	7.3
189.10028	3.1
196.09879	5.2
197.10713	3.2
204.08824	7.0
206.08363	15.0
211.12283	9.7
217.09694	8.5
220.09959	3.9
221.10750	8.9
223.08618	4.7
224.09439	7.1
227.08046	2.7
232.89842	2.3
237.02596	2.3
237.10242	4.2
238.10941	7.2
239.11746	24.9
257.12756	9.7
267.11243	54.1
271.10727	2.7
272.11569	20.0
273.12372	3.6
275.13885	5.1
285.12280	48.5
285.30930	2.4
290.12476	13.6
303.13345	92.2
304.13757	3.6
321.14407	100.0
422.86951	2.3
483.19748	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	501.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03429	1.8
58.10328	0.7
61.02908	1.0
67.05489	2.4
69.03422	8.1
69.07061	1.5
69.39238	1.2
69.39572	8.7
70.06564	1.2
71.04993	0.8
72.02306	0.7
75.34169	0.7
79.05453	1.1
81.03380	2.4
81.62285	0.8
83.04960	3.8
85.02898	13.0
85.06526	1.6
86.06038	1.1
86.09692	1.2
87.04455	1.9
91.05474	0.9
93.07076	0.8
94.06554	7.6
96.91800	0.7
97.02882	6.1
98.20646	1.6
99.04460	1.0
106.06622	0.8
107.07358	0.9
108.08117	4.3
109.02850	1.8
111.04418	3.5
116.65604	0.8
119.07316	0.8
120.08086	6.4
122.06012	5.6
123.06776	3.0
127.03902	2.3
128.07056	2.4
136.06128	1.8
136.07568	6.5
139.03859	2.9
144.08055	2.2
145.02818	1.6
146.09602	0.9
147.04314	1.1
147.06773	1.5
148.07549	5.2
153.05424	0.8
158.09662	1.0
160.07536	0.9
162.09122	3.9
164.07039	2.7
166.08638	3.1
169.08809	0.9
170.09673	1.2
172.07555	1.3
172.11119	0.8
174.09120	1.3
175.08684	1.7
176.07083	1.3
177.05405	2.8
184.11224	2.6
186.09108	3.3
186.12787	1.5
187.09877	2.1
190.08578	5.3
192.06480	2.6
193.04907	1.1
194.08141	1.1
194.09753	1.0
196.09921	4.3
197.08376	1.5
197.10692	2.6
202.08606	3.1
202.12236	4.9
204.08868	2.7
206.08344	11.0
208.09578	1.3
209.07043	1.5
211.08691	1.0
211.12299	5.4
212.10715	2.9
213.10155	1.4
214.08578	3.3
214.12141	0.9
215.09378	2.2
218.08151	2.0
220.09912	2.6
220.13347	1.2
221.10721	5.1
223.08650	3.9
224.09392	4.4
226.11005	0.9
227.08240	1.7
228.12592	0.9
230.11722	12.8
232.09726	2.1
236.09129	2.0
237.10205	1.8
238.10994	3.6
239.08176	1.2
239.11777	16.4
240.10143	3.2
241.09671	2.5
243.11401	1.4
248.12782	6.5
254.10440	1.3
257.12729	6.0
258.11270	17.9
267.11255	38.4
271.10675	2.1
272.11517	18.8
273.12170	1.5
275.13855	6.0
276.12268	25.5
285.12296	43.3
286.10281	3.9
290.12515	4.8
293.14825	3.2
294.13275	5.3
303.13351	100.0
304.11627	16.2
305.14914	0.9
321.14407	45.6
322.12720	18.9
339.15457	28.7
465.18649	2.5
483.19653	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	500.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01864	11.2
55.05485	1.3
57.03410	2.2
57.07070	6.5
59.04980	1.6
63.12370	0.9
67.05495	4.6
69.03416	7.8
69.07063	8.4
70.02944	5.9
70.06573	1.9
70.24454	4.6
71.04980	2.6
72.04111	1.4
72.04507	20.5
73.02911	11.2
74.75826	0.9
79.05497	1.2
81.03399	19.0
83.04961	8.8
84.04491	1.1
84.08137	1.8
85.02907	8.0
85.06526	8.2
86.09689	4.7
87.08083	2.6
88.03950	1.0
90.05541	35.1
91.05463	1.2
95.04964	7.8
96.08121	2.9
97.02879	9.0
98.02398	15.9
99.04448	5.6
100.03967	6.0
101.06012	2.6
103.07545	3.1
107.04899	1.2
108.08100	2.5
109.02863	26.8
111.04430	1.3
112.07571	2.5
113.05983	4.5
115.03927	1.4
116.03439	17.8
121.06538	0.9
123.04446	1.1
124.07581	24.3
125.69076	0.9
127.03896	15.2
130.08615	1.1
131.07028	2.3
132.06526	9.8
132.10188	1.2
138.05487	3.2
140.07039	1.2
142.08612	16.7
145.04932	4.3
147.04401	1.6
150.05508	1.4
152.07076	2.9
152.09138	2.1
153.07364	1.4
156.10194	1.4
157.04875	0.9
158.04459	0.9
160.09651	4.7
166.05008	2.3
166.08669	4.6
172.09720	4.8
174.11255	6.6
177.05414	1.1
181.04984	2.3
184.09662	33.0
187.06020	1.6
192.52386	1.1
197.18578	1.0
198.07571	4.4
199.05998	5.1
202.10710	100.0
203.11391	2.7
211.09627	11.6
212.09142	1.1
216.08641	5.2
217.06938	4.7
220.11783	25.9
226.10760	1.9
230.10208	12.5
234.09735	9.6
244.11775	3.1
262.12839	18.4
284.11130	1.5
310.12759	8.9
317.12247	1.8
319.12808	1.5
320.13260	2.5
328.13858	66.1
329.14133	1.9
346.14917	13.5
352.15918	2.1
364.15967	29.6
370.16986	1.8
464.21225	1.6
475.71713	1.1
500.18988	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	501.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03934	0.4
55.01835	0.3
55.70646	0.3
57.03428	3.6
59.04992	0.5
60.77155	0.3
65.03919	0.8
69.03416	16.7
69.64719	1.9
70.06571	0.5
75.04448	0.3
77.87124	0.3
79.05474	0.3
81.03395	0.5
85.02892	7.6
87.04455	6.1
89.03857	0.3
91.05467	13.6
93.07037	0.4
95.04979	0.3
97.02248	0.4
97.02875	7.4
105.06986	0.4
105.95126	0.3
109.06521	0.3
112.08233	0.2
115.03921	4.2
117.03373	0.4
119.04926	21.8
120.05264	0.3
121.02828	1.2
127.03904	3.9
131.04866	0.5
132.02043	1.0
133.04933	2.6
135.04434	0.5
145.02808	1.3
147.04382	19.9
149.02269	0.5
153.05397	2.0
157.03926	1.4
157.06473	0.4
164.04613	0.8
167.06982	0.7
175.03880	35.2
176.04411	0.4
177.05435	1.5
179.07001	1.4
189.05435	0.5
192.04126	1.9
207.06493	100.0
208.06851	1.2
219.06540	0.5
225.07539	5.2
228.84314	0.3
231.06577	0.5
277.01971	0.3
291.08563	0.7
292.96216	0.3
333.09830	0.3
351.10776	4.8
369.11740	4.3
451.23175	0.3
501.16132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1595
Annotation	kn-93
Peak:m/z	Relative Intensity
65.03918	0.9
69.03426	1.6
69.07128	0.6
69.71218	4.5
70.06577	1.0
71.04987	0.7
72.08116	0.5
74.99302	0.5
81.03371	0.9
84.08104	0.9
85.02884	1.6
91.05464	8.7
97.02867	1.5
109.02838	0.8
119.04928	22.8
127.03920	1.2
147.04385	100.0
148.04720	1.0
158.66479	0.5
163.58441	0.6
164.07152	0.6
177.05516	0.9
192.06744	0.7
203.11775	0.6
239.11757	0.9
257.12848	0.9
267.11218	1.9
275.13977	0.9
285.12323	1.8
303.13226	3.0
309.09811	1.0
321.14285	3.1
339.12109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89943	2.0
53.03924	6.0
55.01854	6.6
55.05509	32.6
57.03427	29.7
57.07048	9.9
61.02627	3.4
61.02917	55.9
65.03934	2.4
67.05495	86.0
69.03417	39.4
69.06709	2.5
69.07059	37.6
70.66361	6.4
71.01330	5.0
71.04971	4.5
71.08607	6.0
73.02907	26.8
75.04453	2.8
79.05035	2.6
79.05481	33.7
81.03410	27.2
81.07047	100.0
83.04951	8.9
83.08611	20.5
84.82275	2.1
85.02892	60.0
85.06522	2.3
87.04433	2.9
89.88884	2.0
91.03942	31.0
91.05469	24.9
93.07032	36.3
95.04944	7.6
95.08017	4.2
95.08594	72.0
97.02879	51.1
97.06511	8.9
97.10168	10.5
99.04433	9.8
99.08085	5.3
101.02341	11.2
103.03920	9.0
105.07007	23.2
107.08575	20.7
109.02863	10.6
109.06467	3.4
109.10145	35.2
111.04388	4.4
111.08041	5.0
111.11701	4.5
113.09620	2.5
115.03897	6.8
117.05489	2.7
117.07009	5.3
119.08545	17.6
121.06461	2.1
121.10122	19.2
123.11693	15.5
125.09566	3.8
127.03886	22.6
127.11157	2.2
129.05470	3.6
129.06970	4.6
131.08514	6.8
133.10112	14.7
135.11674	9.7
137.09502	2.0
137.13193	8.5
139.11162	2.6
145.04933	8.4
145.10091	5.7
147.11653	13.5
149.13205	7.6
151.11165	2.7
151.14812	4.8
153.12679	2.5
155.06830	2.5
157.10110	2.7
159.11632	3.5
161.13257	8.1
163.14810	6.4
165.12744	3.5
165.16345	3.2
166.52634	2.2
169.10132	2.9
171.11626	3.4
173.13132	3.9
175.14699	5.7
177.16287	2.3
183.06464	3.8
189.16463	3.7
209.13020	2.1
221.15199	2.3
245.22612	9.9
263.23627	21.2
303.23038	4.3
329.24738	2.5
337.27322	78.7
353.24750	2.7
365.26779	4.7
371.25925	6.2
389.26465	2.9
421.29800	3.2
426.70187	2.3
445.29276	2.3
463.29947	2.9
481.31625	7.9
499.33057	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	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	7.2
69.03411	3.2
71.57571	1.4
73.41263	1.0
77.00877	1.5
82.99860	2.4
84.17094	1.0
84.96013	2.0
85.02895	2.1
85.61678	1.2
94.06559	2.0
94.99854	1.2
97.02876	2.8
98.97565	18.1
101.00851	9.2
103.02444	3.1
110.97564	4.7
113.00877	3.7
116.98592	9.8
119.01895	25.0
121.03455	2.4
127.02409	6.5
128.98578	7.7
131.01886	15.1
133.03459	4.0
134.99629	2.2
137.02902	2.2
139.02344	1.7
140.98622	1.8
143.00146	4.5
143.01880	16.8
144.98048	1.5
145.03442	41.2
146.99641	3.7
147.01376	3.5
149.01086	1.1
149.02931	2.6
155.01872	19.1
156.98141	2.0
157.03450	18.2
158.99655	4.7
159.04961	1.3
161.01334	2.6
161.02928	19.8
162.99112	2.4
163.04491	5.0
166.01337	1.1
167.01888	7.7
169.03430	3.5
170.99637	4.5
171.01352	6.0
171.05014	2.6
173.02940	40.5
174.99162	12.3
175.04449	5.5
177.00674	5.2
179.01932	2.8
181.01822	1.3
181.03452	1.6
182.99649	3.7
183.01288	1.5
185.02930	41.7
186.03130	1.4
187.04477	7.0
189.00681	7.8
189.02446	9.1
191.02205	1.5
191.04002	3.0
193.00243	9.3
193.01743	1.8
196.04576	2.6
197.02945	13.5
199.00899	4.1
199.04478	3.7
201.00705	12.7
201.02383	1.4
201.05980	1.8
203.03978	13.3
204.04387	1.3
205.00194	4.5
208.04753	1.4
209.02882	3.1
211.04485	2.2
215.03992	9.5
217.00139	4.5
217.01921	52.9
217.05527	4.3
218.02104	1.4
219.01752	12.1
221.05042	5.0
223.01176	5.2
227.03998	9.9
229.01920	9.6
231.01694	1.6
235.01036	2.0
235.03033	20.1
235.06500	1.5
237.02721	3.6
238.41753	1.4
240.43706	1.1
243.01834	3.7
245.05040	100.0
246.05209	3.8
247.01169	1.3
247.03050	13.1
247.06693	2.6
249.02826	4.2
251.04128	1.6
253.04082	3.2
257.05063	13.8
258.04611	1.7
260.39679	1.1
261.02795	13.8
263.06033	10.5
265.04099	2.6
269.05383	1.8
275.06073	17.9
277.01773	1.4
277.04123	19.4
279.03775	9.3
283.04858	1.5
290.92679	1.2
291.03790	6.2
293.07153	4.7
295.08829	3.4
301.04117	8.5
305.07224	8.8
319.05307	23.8
321.04959	7.1
335.08197	5.0
337.06287	28.8
337.10220	1.1
347.08203	1.4
351.06024	2.9
351.11337	3.9
361.04269	2.1
365.09253	10.9
379.05399	24.5
399.07648	1.1
439.12741	3.8
471.52838	1.4
481.08545	2.3
499.10397	25.2
521.53510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.2
59.65362	1.5
63.13712	1.4
70.78762	4.3
76.58655	1.4
77.00902	2.0
82.99834	2.3
85.02921	1.7
93.04037	1.4
94.99837	1.5
97.02881	2.5
98.97554	2.8
101.00834	10.7
103.02428	5.0
113.00914	4.8
119.01908	39.0
121.03473	4.8
127.02399	7.7
129.04008	2.0
131.01894	23.3
133.03400	3.2
137.02895	8.0
139.02312	1.9
142.03467	2.5
143.01900	20.7
145.03444	56.3
145.04614	3.1
147.01366	6.1
149.02957	4.8
155.01871	27.0
157.03450	19.9
159.05005	1.9
161.02933	35.8
163.04498	8.6
167.01855	9.5
168.05077	2.3
169.03445	4.9
171.01373	6.7
171.05028	3.7
173.02939	61.3
174.02917	1.5
175.04498	5.8
179.01877	3.7
181.03447	2.1
183.01321	2.3
185.02937	58.4
186.03088	2.2
187.04550	8.8
189.02434	9.3
191.03995	5.0
196.04625	3.3
197.02960	18.1
199.00888	4.2
199.04543	4.9
201.02412	2.7
203.03986	19.6
208.04494	3.7
209.02948	4.2
215.04044	13.2
217.01918	54.6
217.05371	2.7
221.05040	6.1
227.04008	10.0
227.29779	1.7
229.01889	11.9
235.02962	24.6
240.03418	2.5
245.05051	100.0
246.05287	3.2
247.02914	13.4
247.06746	2.9
257.05093	11.0
258.04688	2.3
261.02982	1.9
263.06110	13.1
263.08551	1.7
265.04086	2.2
275.06067	12.4
277.04001	19.2
293.07178	2.9
295.08841	1.6
301.03940	10.7
305.06982	9.9
319.05066	20.2
335.08163	4.0
337.06125	27.5
337.09927	3.1
365.09149	9.7
437.64297	1.8
499.11383	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03922	2.0
55.01854	1.1
55.05492	2.2
57.03418	0.9
57.07045	0.9
57.18629	0.6
58.07609	0.6
67.05486	3.1
68.48000	0.7
69.03426	6.7
69.07045	3.1
70.06591	0.8
70.16221	3.5
71.04960	1.7
78.03433	8.6
79.05470	2.1
80.04999	2.1
81.03403	13.4
81.07050	5.4
85.02892	6.9
85.06517	1.4
90.05536	2.9
91.05476	3.0
93.07030	4.0
95.04984	1.3
95.08594	6.8
96.04466	3.7
97.02880	7.2
97.06513	1.4
97.10156	1.6
99.04422	2.1
99.08055	1.4
105.06949	0.7
106.02899	40.8
107.08582	6.2
109.02854	6.5
109.10140	2.3
114.05499	0.8
119.04924	1.9
120.08093	1.1
121.06473	0.7
121.10136	6.7
122.09674	1.4
124.03934	100.0
125.04259	1.2
127.03929	4.2
133.02834	1.8
133.10088	0.8
135.11665	1.6
137.13210	1.4
145.10147	0.8
147.04436	6.4
148.07549	8.8
149.05896	1.0
166.04956	1.9
167.07045	0.8
177.05472	0.9
177.16394	7.9
188.53128	0.7
195.17464	2.5
196.06161	0.8
201.05493	0.8
202.10596	1.0
220.11719	7.6
232.06068	3.0
237.94344	0.7
241.08331	0.8
243.45644	0.6
250.07089	10.0
268.08118	56.2
269.08420	1.7
279.19308	0.7
286.09174	18.4
315.13223	0.8
325.10437	0.8
345.09692	0.8
480.20303	1.4
480.25888	2.5
498.20901	2.2
498.27008	2.5
499.21320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
55.05491	4.1
61.05417	3.0
66.34130	3.5
67.05482	15.6
69.07047	6.0
69.59882	2.8
79.05491	20.8
80.06257	3.8
81.07028	16.3
83.05009	3.6
83.08607	3.6
88.57490	3.3
91.05458	32.3
93.07053	20.0
94.88702	3.3
95.04948	6.9
95.08584	7.6
96.74445	4.0
98.20661	7.3
105.07001	24.4
107.04943	5.2
107.08556	6.3
109.10130	6.9
115.05424	3.7
117.07005	6.4
119.04901	4.9
119.08537	11.7
121.10118	5.1
123.04427	8.9
128.06168	5.2
129.06929	5.2
131.04886	7.4
131.08521	13.9
133.10114	24.5
143.08557	5.7
145.06436	6.0
147.04393	16.5
147.11697	10.3
149.02255	4.2
157.10104	9.7
160.05116	5.5
161.05984	4.4
163.03838	9.9
171.08060	5.2
173.05980	13.8
174.06798	8.5
175.03886	6.0
175.07492	3.6
175.11200	20.9
176.11971	11.3
177.05444	8.5
187.07504	5.5
189.05502	8.3
191.03360	14.6
191.06963	4.8
193.04898	4.8
199.07518	6.7
201.05467	7.4
203.03369	5.5
203.07025	13.0
207.13817	6.1
211.07408	5.5
213.05545	4.0
215.07021	4.3
217.04944	9.7
217.08481	20.0
219.02858	4.4
225.05380	4.0
229.04909	11.7
243.06516	13.4
255.06630	4.3
263.05566	7.7
269.08011	3.6
281.06616	9.7
289.06976	4.8
293.06641	5.6
307.08035	10.8
315.15808	5.0
329.17279	3.7
349.14417	6.0
367.15317	70.7
373.19962	5.4
385.16382	100.0
386.16620	4.2
395.14825	26.6
403.17532	23.9
413.15988	33.2
417.19171	9.7
431.16916	12.8
445.18591	5.2
463.19537	30.7
498.18469	5.3
500.06903	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	498.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60289	2.0
51.81099	2.1
53.03944	3.0
55.05498	4.8
61.91090	2.2
66.85081	2.1
67.05488	17.4
69.07062	4.1
69.94530	14.4
77.27633	2.4
79.05488	23.7
81.03397	3.7
81.07028	12.3
83.04983	4.8
83.08616	3.1
87.80846	2.7
90.59147	2.5
91.05473	27.7
93.07038	15.9
95.04963	4.5
95.08585	4.4
95.62202	2.6
97.06544	5.5
98.02500	2.6
105.07014	18.6
107.04927	3.1
107.08535	6.0
109.06469	4.1
109.10137	4.6
115.05483	3.6
117.07042	3.3
119.08568	9.3
123.04396	9.4
129.07014	10.6
131.04936	9.1
131.08542	9.4
133.10094	25.2
135.11714	3.3
145.06529	6.0
145.10133	3.5
147.04369	13.8
147.08017	2.7
147.11655	13.0
149.05968	5.0
157.06610	3.0
157.10138	8.8
159.11743	2.7
160.05185	3.2
161.05988	3.9
163.03871	8.5
171.08011	4.1
173.05899	13.6
174.06744	8.1
175.03896	7.2
175.11179	17.2
176.11964	10.1
177.05464	8.7
177.12764	5.0
185.05956	2.6
187.07509	5.9
189.05453	6.9
191.03384	9.9
191.07016	3.9
193.05003	3.1
193.12209	5.4
197.05991	4.4
199.07532	8.2
201.05508	3.3
203.03395	6.9
203.07007	12.3
207.13824	6.7
211.07472	3.1
213.05440	4.1
215.07083	3.4
217.04950	10.9
217.08580	15.1
219.02835	3.1
221.04477	2.5
225.08916	3.0
227.07001	6.6
229.04977	8.5
231.10306	3.0
235.05959	3.5
243.06511	15.2
247.05930	3.1
253.04893	3.2
255.06467	6.8
257.04489	4.8
261.07516	4.5
263.05457	6.6
269.08142	4.9
271.05963	5.7
279.98660	2.5
281.06439	13.8
289.07053	3.7
293.06427	3.6
297.14719	4.1
303.04312	2.5
307.08038	10.2
315.15750	5.4
339.15820	6.0
341.17444	10.9
349.14194	8.7
367.15353	63.2
373.20065	3.6
377.13940	4.0
385.16406	100.0
395.14841	26.6
399.17834	3.5
403.17508	26.9
413.15833	35.1
417.19360	5.9
427.17316	6.3
431.17020	16.2
445.18652	5.6
463.19687	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11597	2.1
53.03938	16.3
55.01860	6.7
55.05505	27.1
57.03429	51.5
57.07061	3.3
57.96494	2.2
61.02920	17.3
65.03930	5.8
67.05495	95.4
69.03423	50.8
69.07056	19.0
69.92312	11.1
70.50840	2.0
71.01342	6.2
71.04993	14.3
73.02899	11.2
74.18379	1.8
75.04459	6.0
77.93465	2.2
79.05488	54.6
81.03410	72.8
81.07046	100.0
83.04981	5.4
83.08607	10.8
85.02390	4.8
85.02892	58.9
85.06519	3.5
87.04456	6.7
91.03954	11.8
91.05461	37.3
93.07030	70.2
95.04972	9.1
95.08598	80.2
97.02873	45.8
97.06525	7.6
97.10167	6.5
99.04444	26.3
99.08095	2.7
101.02354	5.5
103.03934	42.8
105.07024	29.2
107.05014	3.9
107.08578	39.5
109.02857	35.8
109.06480	3.7
109.10142	41.6
111.04431	6.3
113.02340	2.6
115.03916	8.8
117.05495	4.2
117.06996	10.7
119.08574	17.4
121.10136	33.6
123.08096	2.5
123.11685	17.9
125.02323	5.3
125.09635	2.8
127.03904	45.4
129.05466	7.7
129.06985	3.4
131.08571	17.7
133.10101	19.3
135.08076	2.2
135.11684	25.1
136.49330	2.5
137.09612	3.0
137.13304	3.4
143.07219	2.6
143.08522	3.9
145.04938	8.9
145.10072	11.2
147.11659	15.9
149.13234	12.4
149.29041	2.0
157.10088	4.1
159.06474	3.6
159.11674	10.7
161.13249	7.6
163.14801	7.7
171.06494	3.5
171.11610	4.9
173.13222	8.9
175.14815	2.9
183.06506	12.8
185.13316	4.0
187.14873	3.4
189.12621	2.2
189.63510	2.2
201.07590	6.7
201.16293	2.4
243.21091	6.0
259.20474	3.7
261.22159	21.9
263.23715	7.8
303.23267	2.8
335.25769	38.4
337.26999	5.4
341.24832	4.1
351.23218	2.9
369.24054	3.4
387.25259	4.3
405.26511	16.0
471.99384	2.4
479.29910	4.4
497.31006	19.4
513.52795	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	497.1439
Annotation	Cadensin F
Peak:m/z	Relative Intensity
55.05498	0.4
57.03411	0.3
60.12475	0.3
61.34643	0.3
63.55823	0.3
67.05480	0.9
68.99792	0.7
69.03415	0.3
69.07055	0.7
70.01450	0.8
70.01867	1.2
79.05466	0.7
81.03404	0.8
81.07045	1.2
85.02896	0.5
91.05460	0.7
93.03368	0.4
93.07035	0.6
95.04973	0.5
95.08602	0.9
97.02869	0.4
97.06502	1.1
103.05398	0.5
105.07009	0.5
107.04929	1.5
107.08571	0.5
107.87668	0.3
109.02837	0.3
109.06545	0.4
109.10123	0.5
121.06499	0.6
123.04440	0.4
125.05973	0.5
131.08551	0.4
135.04388	0.7
137.02304	0.5
139.03835	2.0
149.06000	0.5
153.01785	0.5
153.05438	0.5
154.02597	0.7
154.06223	4.6
161.05933	0.7
163.03879	1.4
164.04655	0.4
167.06973	0.3
169.04933	0.7
175.07440	0.3
177.05460	0.6
178.06242	5.2
179.03358	0.6
185.05931	0.4
189.05458	0.4
191.06993	0.8
199.07655	0.5
201.05486	0.5
205.04971	2.2
205.11409	0.4
213.05563	0.5
215.03401	0.5
215.07097	0.4
217.04956	0.4
225.05426	0.4
226.06303	0.5
227.03413	0.7
229.04863	0.5
239.03526	0.4
241.05009	0.7
243.02702	0.4
253.05031	0.4
254.05603	0.4
255.02911	0.8
257.04376	0.8
268.07227	0.5
269.04382	0.6
270.05206	0.7
284.06821	0.6
285.03909	1.9
285.07520	1.0
287.05508	0.7
297.04065	0.8
297.07385	0.6
298.04681	1.0
299.05429	0.5
300.09973	0.8
311.05414	0.6
312.06247	0.7
313.03427	3.0
313.06833	0.7
315.04910	0.8
328.05701	0.7
335.05438	0.6
337.07272	0.6
339.05170	0.4
339.08704	0.5
343.08072	4.7
345.09564	0.8
346.09943	1.2
349.03271	0.6
349.07239	0.5
350.07776	0.4
355.08127	0.5
363.04990	0.6
364.05722	0.5
368.08878	3.4
378.07254	0.4
379.08118	0.8
381.06055	1.0
383.07095	0.4
391.04376	0.8
405.05991	0.5
406.06937	0.5
407.07523	1.6
409.05420	3.4
411.10742	0.7
419.03568	0.6
421.09134	1.4
423.06906	1.1
424.07745	0.5
433.09131	1.1
435.06970	1.2
437.04901	1.4
439.10202	4.2
449.08670	1.5
451.05716	1.6
452.07214	1.6
453.11682	0.7
464.10782	0.8
465.12244	0.7
467.09683	38.0
468.10059	1.3
479.16168	0.5
481.11072	2.9
482.12012	5.0
497.14343	100.0
498.14700	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	497.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.5
68.99760	0.5
69.03433	0.5
69.73236	2.1
79.05473	0.9
81.03407	0.5
81.07035	0.6
91.05482	1.0
93.03420	0.4
95.04964	0.6
97.06496	0.3
98.21428	0.6
105.07018	0.5
107.04933	0.5
110.92068	0.4
111.04416	1.1
115.90634	0.3
119.04963	0.4
120.08057	0.5
121.02819	0.4
121.06480	0.5
125.05981	1.2
126.76050	0.3
130.06509	0.5
130.55016	0.3
131.04889	0.4
135.04384	0.5
137.02333	0.4
137.05939	0.7
139.07558	0.7
145.02832	0.3
147.04425	0.9
149.06007	2.0
151.07587	0.9
153.01801	1.2
153.05409	2.1
155.04846	0.7
161.06004	0.4
167.07039	3.2
168.07796	0.3
173.05972	0.9
177.05449	0.9
179.07056	1.3
189.05504	0.4
191.06969	0.5
193.04851	0.5
194.09406	0.7
195.06528	1.1
199.03825	0.4
201.05469	0.7
215.03368	0.4
227.03288	0.9
229.04871	2.0
243.02853	0.4
245.04445	0.8
255.02875	0.8
257.04404	6.2
273.03973	1.0
291.06412	0.4
295.02411	0.7
302.04263	1.1
303.04907	3.8
317.04520	0.4
319.02402	4.2
319.05826	0.6
322.04788	0.6
332.03052	1.8
333.03897	1.3
334.04630	0.5
335.09644	0.4
337.03165	0.4
344.07333	0.3
345.03879	1.4
347.05466	3.6
357.03934	0.5
358.04599	0.4
360.02472	0.6
361.03503	0.5
365.06479	0.9
373.03381	0.8
375.04965	1.6
377.06378	0.4
378.03549	0.4
387.05222	0.5
388.02145	1.4
391.08109	0.9
393.06104	1.1
401.02707	3.9
403.04449	6.5
411.04791	0.7
417.06216	1.0
421.05502	3.7
429.02365	1.6
431.03943	60.3
432.04138	2.2
432.73953	0.4
436.08011	1.2
445.05530	4.0
446.06400	2.8
451.10443	0.8
453.15332	0.5
453.21222	0.4
461.08615	100.0
462.08978	3.8
479.09729	9.0
497.10803	9.5
497.19968	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	496.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05494	1.7
57.03417	0.7
62.00646	0.6
62.63165	0.5
67.05480	2.0
69.03401	0.9
69.07050	1.7
70.13953	0.6
71.62059	0.6
71.62434	1.0
78.03458	0.9
78.76695	0.5
79.05491	1.5
79.32475	0.6
80.04998	2.0
81.03397	1.6
81.07040	3.6
85.02886	2.3
91.05464	2.7
93.07037	4.8
95.04946	0.7
95.08551	3.6
95.55266	0.6
96.04469	1.8
99.04449	0.6
105.07018	4.1
106.02898	8.2
107.04948	1.0
107.08583	6.0
107.44595	0.6
109.02866	1.1
109.10109	1.9
119.08559	6.0
121.10149	1.9
123.11651	1.4
124.03934	100.0
124.41698	0.6
125.04272	1.6
127.03917	1.5
133.10101	5.0
135.11678	1.2
137.05945	1.6
137.09584	0.7
147.11661	1.2
161.05919	0.7
163.14804	0.8
175.14807	5.4
177.05511	0.6
178.06259	1.8
192.08528	0.7
193.15813	0.9
202.12257	2.4
208.38139	0.6
230.02054	1.4
250.07124	2.1
268.08081	2.4
286.01031	3.6
286.09177	75.4
287.09579	1.2
352.11749	2.3
380.11148	1.1
449.04767	0.9
449.13446	1.4
451.10535	1.4
478.18738	5.7
479.09732	7.1
479.17728	2.0
496.18420	5.6
497.10745	4.5
497.18091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
55.18615	0.2
56.05032	0.5
57.03424	0.3
57.07064	0.9
58.06602	0.3
58.27855	0.2
59.07828	0.2
60.08157	5.4
60.95782	0.2
67.05502	0.6
67.51125	0.2
69.07057	0.2
71.07363	2.9
71.08636	0.5
78.01202	0.2
79.05472	0.4
81.07067	0.4
83.08600	0.2
85.10165	0.2
86.09693	30.9
86.88624	0.2
87.10026	0.3
91.05459	0.2
93.07042	0.3
95.08591	0.5
98.21507	0.3
98.98457	2.8
104.10720	2.9
109.10148	0.2
124.99985	20.3
133.10097	0.3
143.00961	0.3
184.07315	100.0
185.07652	0.9
203.36453	0.2
246.08517	0.2
355.04303	0.2
404.29095	0.3
478.32794	0.9
496.34219	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	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.53795	0.2
54.95151	0.2
55.05500	0.4
55.40800	0.2
56.05032	1.3
57.03428	0.5
57.06800	0.2
57.07067	3.4
58.06569	1.4
59.07357	0.3
60.08155	16.7
67.05484	0.9
69.07055	0.5
71.07003	0.4
71.07365	6.2
71.08617	2.5
77.89305	0.2
81.07054	1.0
83.08601	0.6
85.10170	1.0
86.09693	52.8
87.10002	0.3
95.08599	1.2
98.21450	0.7
98.98447	3.6
104.10725	100.0
105.11062	0.7
109.10115	0.3
123.11651	0.2
124.99983	29.1
143.01042	0.3
163.01550	0.8
167.54332	0.2
181.02541	0.3
184.07315	98.1
185.07619	0.9
239.86324	0.2
258.11038	1.3
296.51666	0.2
313.27274	2.1
323.22906	0.2
419.25467	0.6
431.29959	0.2
438.94012	0.2
478.32907	9.3
496.33920	27.3
497.34128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32026	2.2
53.03939	3.2
55.01857	4.4
55.05490	25.5
57.03420	5.8
57.07064	7.0
64.57280	2.1
67.05492	49.7
69.03407	6.9
69.07054	34.3
69.23799	2.3
70.16611	10.4
71.01347	4.8
71.04996	4.8
71.08630	2.7
73.02896	4.4
79.05476	33.2
80.05799	2.4
81.03403	8.8
81.07040	83.3
83.04956	11.8
83.08604	17.3
84.04473	2.4
85.02890	7.8
85.06521	2.2
89.02374	9.2
91.05457	30.1
93.07027	49.7
95.04957	11.6
95.08591	100.0
96.08924	2.1
97.02870	5.4
97.06510	7.7
97.10160	9.1
105.07008	39.7
107.04956	5.8
107.08577	50.6
109.06518	5.7
109.10129	48.3
109.10869	2.3
111.04433	4.7
111.08048	3.7
113.05976	2.2
117.07012	6.3
119.08569	42.3
121.06483	4.0
121.10114	47.9
123.08103	2.4
123.11685	23.4
125.09592	2.7
127.03816	2.1
129.07001	3.6
130.07761	2.0
131.08533	14.4
133.02310	2.1
133.10091	37.2
135.08035	3.3
135.11678	29.2
137.09653	2.8
137.13213	24.2
142.07835	2.8
143.08537	9.1
145.10138	16.7
147.11664	24.7
149.09581	4.5
149.13232	23.6
151.14798	2.6
155.08502	2.5
157.10101	9.6
159.11668	17.4
161.09677	2.5
161.13222	18.4
163.07536	3.2
163.11180	3.9
163.14832	9.7
167.07050	3.4
169.10081	2.5
171.11685	8.3
173.02950	4.7
173.13232	13.4
175.14809	12.8
177.16321	19.4
179.17915	3.5
183.11703	3.2
185.13255	10.8
187.14825	10.3
189.11176	2.2
189.16373	11.7
191.17909	27.0
193.12202	4.4
195.13773	3.6
199.14792	3.3
201.16301	13.4
203.17931	34.8
205.19479	5.2
209.11687	2.4
211.13185	4.7
211.14919	3.2
213.16351	5.3
215.17828	10.7
217.08594	6.0
217.19452	19.7
227.17928	6.8
229.19426	13.1
231.21069	5.3
241.19547	6.4
243.21066	4.2
245.22586	4.2
253.19501	2.7
255.21114	8.6
257.22586	6.5
267.08978	3.6
267.15744	2.7
269.17563	2.2
269.22668	5.3
271.24188	4.0
283.15311	2.5
283.24127	3.1
285.10123	2.4
317.21173	7.4
329.21072	4.7
341.29996	2.0
345.24142	4.8
349.16934	2.8
357.24313	4.7
405.35114	6.2
407.36612	28.1
477.28030	4.9
495.29248	12.1
495.38287	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01855	5.5
55.05505	23.1
56.96545	2.4
57.03418	4.7
57.07068	5.8
61.02894	2.5
65.03930	3.0
66.36257	2.1
66.96156	2.4
67.05497	49.5
69.03422	4.4
69.07060	34.1
70.31788	5.6
70.32191	6.6
71.01343	5.9
71.04982	5.5
73.02876	2.3
75.76760	2.2
79.05489	36.4
81.03402	9.3
81.07046	83.4
83.04967	7.5
83.08606	18.9
85.02881	10.5
85.06548	4.7
89.02377	7.3
91.05465	30.0
93.07030	48.0
95.04940	9.3
95.08593	100.0
95.09209	5.4
97.02846	5.2
97.06518	6.9
97.10133	7.7
105.07017	38.3
107.04934	7.6
107.08580	50.6
108.53416	2.2
109.06494	6.0
109.10145	49.9
111.04435	6.2
111.08064	3.9
115.05444	3.2
117.07030	6.0
119.08558	41.1
121.10124	42.4
123.08091	3.1
123.11697	26.7
129.06973	4.3
131.01849	4.0
131.08569	15.2
133.10098	36.5
135.08043	2.4
135.11670	30.4
137.13211	31.4
137.14171	3.0
143.08553	6.0
144.09363	2.7
145.10068	16.8
147.08049	2.9
147.11688	31.5
149.13216	25.3
157.10147	3.7
159.11687	19.5
161.13258	28.0
163.11208	5.4
163.14799	8.1
169.10112	3.2
171.11578	3.7
173.02924	3.0
173.13239	11.4
175.11099	3.8
175.14755	13.2
177.16319	15.6
183.11789	3.3
185.13177	5.2
187.14841	10.2
189.16370	11.5
191.17921	24.9
193.12228	4.5
199.14841	7.0
201.16266	14.2
203.17929	35.1
205.19530	4.8
211.14894	3.0
213.16371	5.4
215.17976	8.2
217.08531	4.7
217.19460	18.6
227.12837	2.7
227.17903	5.1
229.19545	16.9
231.21060	4.6
235.03131	2.6
241.19469	5.1
243.21027	5.8
245.22531	2.9
255.21056	10.3
257.22601	6.5
269.22549	6.0
271.24155	3.2
281.22385	2.9
283.24057	5.4
285.10184	5.5
315.10815	2.5
317.20981	8.2
329.21347	3.3
343.22531	3.1
345.24286	3.2
357.24210	6.0
405.35138	5.8
407.36646	30.2
457.08655	2.6
495.12735	2.4
495.29480	11.7
495.38220	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03931	5.0
55.05254	1.4
55.05505	27.5
57.03427	14.6
59.04985	1.6
65.03924	2.9
67.05149	2.4
67.05495	41.7
69.03433	8.0
69.07062	10.8
71.04975	9.0
71.59457	1.9
72.85003	1.3
76.02590	1.1
79.05483	48.0
81.03408	99.2
81.06556	1.8
81.07047	49.3
83.04965	20.6
83.08607	36.5
85.02893	53.2
85.06535	3.8
91.05473	56.1
93.07033	27.7
94.69592	1.2
95.04957	46.8
95.08098	1.6
95.08601	17.9
97.02871	6.0
97.06522	8.5
97.10177	7.8
99.08065	2.7
103.10886	1.0
105.04501	1.1
105.06350	2.3
105.07019	35.7
106.87426	1.3
107.04926	9.8
107.08578	13.9
107.93852	1.1
109.06505	9.4
109.10136	6.6
111.04420	5.2
111.08060	14.7
113.05979	4.7
115.05453	3.1
117.07001	4.3
119.04937	1.6
119.08559	31.2
121.06490	3.9
121.10129	16.4
123.08064	4.2
123.11688	4.9
125.06023	1.1
125.09618	3.0
129.06987	20.6
131.08553	20.6
133.06494	5.2
133.10103	16.0
135.08018	1.5
135.11674	1.9
137.05978	1.6
137.09596	4.4
142.07738	5.9
145.10097	4.7
147.08031	5.9
147.10573	0.9
147.11659	21.3
149.09595	10.7
151.03873	1.2
151.11195	1.7
157.10112	23.9
163.11154	2.4
165.12755	5.1
175.11185	21.8
177.05499	1.2
189.11165	1.4
193.12219	86.3
194.12500	2.0
211.13272	100.0
212.13608	2.0
227.12683	1.6
229.05069	1.4
229.14536	1.4
258.80707	1.1
267.15903	6.6
285.16904	4.2
367.22729	1.4
385.23849	2.5
459.27216	2.2
477.28302	4.5
495.13776	7.0
495.29477	75.0
496.29846	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01846	8.2
55.05507	25.1
57.03432	19.8
57.07056	4.8
57.19848	2.6
61.02918	24.8
65.03947	3.4
67.05498	57.7
69.03420	19.2
69.07055	24.2
69.51434	6.8
69.51858	18.0
71.01324	5.2
71.04961	9.2
73.02915	13.3
74.22986	2.5
79.05483	65.4
81.03430	17.0
81.07044	100.0
83.04967	10.2
83.08584	17.1
85.02896	33.9
85.06516	8.8
91.03938	17.8
91.05469	61.3
93.07030	58.9
95.04939	12.7
95.08591	40.3
97.02881	25.5
97.06511	6.0
97.10132	4.7
99.04440	6.0
101.02344	4.0
103.03903	4.2
103.05452	3.3
105.07018	69.3
107.04948	7.0
107.08585	36.8
109.02869	4.3
109.06500	11.5
109.10131	11.2
115.03877	3.7
115.05394	2.9
117.06970	18.9
119.05995	2.4
119.08557	60.1
121.06467	4.3
121.10130	37.5
123.08027	7.8
123.11658	23.1
125.67245	2.8
126.83448	2.8
127.03886	6.5
127.07515	4.7
128.06174	4.1
129.05469	5.5
129.06987	14.3
131.08569	28.3
133.10112	26.0
134.21964	2.9
135.11671	12.3
141.06981	5.7
142.07611	2.9
143.08556	16.1
145.06465	4.2
145.10077	23.8
147.07999	4.2
147.11664	65.0
149.09595	6.0
149.13254	8.6
153.86769	2.6
155.08510	6.8
157.10104	12.4
159.08026	3.3
159.11646	19.9
161.09621	3.3
161.13252	11.8
163.14690	2.7
165.06903	4.5
165.12720	28.2
169.10031	7.0
171.11687	14.7
171.12883	3.0
173.09679	2.7
173.13284	15.1
175.11133	4.5
175.14787	4.8
181.10139	5.1
183.11681	8.3
183.13708	4.3
185.13205	8.5
187.11165	4.4
187.14767	5.2
193.12201	3.8
195.11749	3.7
197.13235	5.6
199.11124	4.6
199.14839	4.6
201.12642	3.7
211.13144	5.7
229.14168	3.4
241.19545	9.0
259.20541	9.3
267.15891	24.9
269.18945	3.5
271.20569	3.3
287.20084	4.5
289.21393	3.5
301.21478	6.3
313.21640	5.6
315.23108	6.1
325.21396	6.6
333.24149	23.5
343.22784	3.6
367.22559	13.0
375.25290	6.9
385.23465	7.1
417.25922	3.5
441.26187	19.1
454.34863	3.5
459.27237	12.5
477.28610	21.5
495.29462	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.7
55.01851	10.6
55.05503	37.3
55.82220	3.8
57.03423	39.2
57.07058	6.5
61.02917	47.3
64.04785	3.5
65.03921	5.1
67.05142	5.5
67.05492	75.4
69.03422	43.0
69.07052	33.5
69.58023	3.9
69.58347	33.8
71.01344	10.2
71.04972	9.2
73.02912	32.8
76.53340	3.8
79.05482	92.6
81.03412	39.8
81.07049	100.0
83.04958	14.9
83.08589	15.3
85.02895	58.1
85.06537	8.5
91.03955	25.1
91.04919	7.7
91.05472	99.0
93.06441	4.9
93.07028	83.1
95.04945	19.7
95.08600	48.6
97.02892	49.7
97.06515	17.9
97.10165	8.5
99.04436	12.7
101.02370	6.5
103.03941	10.4
103.05452	5.6
105.04495	3.6
105.07015	88.1
107.04941	9.9
107.08580	50.5
109.02872	5.1
109.06491	15.6
109.10135	19.6
111.04430	7.3
111.08058	6.9
115.05450	6.8
117.06995	41.7
119.04874	5.9
119.08560	77.4
121.10120	41.6
123.04413	4.2
123.08063	8.6
123.11706	12.1
127.03894	12.4
128.06230	6.1
129.05473	12.8
129.06995	31.0
130.07748	6.0
131.04906	4.9
131.08556	56.2
133.06523	7.3
133.10110	45.6
135.08054	8.5
135.11664	21.0
137.09608	6.6
139.07552	5.0
141.06969	8.2
142.07809	7.6
142.82468	4.7
143.08527	31.7
145.04938	4.8
145.06491	9.3
145.10094	53.4
145.95023	3.5
147.08002	7.8
147.11664	47.3
149.09615	8.6
149.13258	18.4
154.07767	4.6
155.07251	3.9
155.08559	17.4
157.06430	4.6
157.10150	20.8
159.08017	10.5
159.11688	40.0
161.09575	8.6
161.13217	15.6
163.11223	5.2
163.14783	5.0
165.12761	10.4
169.10117	14.1
171.08034	8.1
171.11589	21.6
173.09579	6.8
173.13257	22.4
175.11195	4.9
175.14787	11.2
179.08455	4.7
181.06374	4.7
181.10100	10.2
183.07979	4.2
183.11662	17.1
185.09662	4.6
185.13210	17.9
187.11133	7.3
187.14760	7.3
191.10667	4.5
191.14311	4.0
195.11703	6.7
197.09505	4.9
197.13263	10.4
198.13614	4.6
199.11241	5.2
199.14767	13.4
201.12727	7.5
209.13361	5.1
211.11235	4.6
213.12685	6.6
215.14371	4.4
223.11221	4.1
225.12845	5.3
227.14433	4.4
229.14268	4.3
241.19458	12.1
257.18982	7.7
259.20523	24.0
261.22003	3.7
267.15900	17.3
268.27319	3.9
269.19003	6.1
271.20602	6.8
273.22049	6.9
277.21616	6.9
289.21643	5.6
297.22107	4.2
301.21600	11.7
313.21582	11.4
325.21512	4.5
331.22839	7.3
333.24231	42.8
337.21381	4.9
339.23199	8.7
345.24237	6.9
349.21475	7.7
357.24005	6.8
361.23907	6.4
363.25323	5.6
367.22626	17.6
375.25229	11.5
382.12448	4.7
385.23621	13.7
387.25345	8.8
403.24716	10.5
417.26376	11.3
423.25140	5.6
429.26248	5.5
441.26355	30.6
459.27460	30.6
477.28406	35.9
495.29623	80.3
496.29773	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	495.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72555	1.9
56.05025	86.9
56.39292	1.9
58.06593	9.5
67.05476	2.8
69.03414	5.5
69.07039	2.3
70.02931	4.6
70.06563	4.7
71.59130	3.8
73.04028	2.5
73.49976	1.7
74.06068	87.6
82.02913	2.8
82.06551	7.3
83.06133	2.4
84.04498	14.4
84.08126	17.6
85.02895	5.3
86.09695	22.7
87.04436	2.2
88.03990	2.6
91.05499	3.0
95.04919	2.8
97.02885	34.5
97.04012	4.7
97.99461	1.8
99.05553	6.8
100.03913	2.0
100.07608	3.1
101.07126	4.8
101.25889	1.8
102.03751	2.5
102.05514	4.2
105.07043	2.0
108.04443	4.0
109.02867	3.3
110.06026	14.7
111.05551	6.7
112.11213	2.6
115.03883	2.5
123.05546	2.1
124.04047	2.7
125.03441	3.3
126.05468	3.7
127.08668	20.8
130.04939	3.0
130.08621	8.2
132.10173	7.6
136.03915	5.8
137.06042	2.3
137.07082	2.6
138.05470	16.9
139.04990	8.4
140.07080	2.2
141.06613	2.1
143.04483	3.4
144.06523	4.5
147.04381	4.7
147.11270	11.4
153.06584	28.3
154.05064	2.9
166.04947	10.9
169.13365	3.1
171.07597	4.8
175.05371	2.5
181.06062	26.9
183.07716	3.7
189.08707	3.6
191.03316	1.9
191.08458	5.6
197.12831	3.2
199.07129	49.3
201.08792	1.9
210.08601	2.1
211.07066	2.2
215.13864	25.7
217.06345	19.2
217.08192	3.8
227.06558	2.8
233.14966	13.9
235.07413	6.1
238.08195	5.1
243.13383	3.9
245.05905	9.7
254.11424	2.1
262.07095	7.4
263.06940	100.0
264.09692	2.4
272.08664	2.5
272.12408	2.1
272.24756	2.2
280.08051	5.5
282.10779	4.2
283.09573	2.3
298.09219	4.7
300.11813	9.2
302.08099	4.5
315.04922	2.3
330.16513	2.9
340.14923	6.9
346.10651	12.3
358.16046	4.3
364.11700	38.1
368.14551	2.6
413.19907	7.0
431.20749	5.5
459.19147	4.3
477.20438	13.0
493.30823	2.4
495.21219	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	11.7
57.03435	2.9
60.04507	15.9
61.02915	3.5
62.27262	2.9
67.05499	15.2
69.03409	11.4
69.07047	21.9
69.66379	6.5
69.66782	16.2
71.04973	10.1
79.05464	12.6
79.49476	3.2
81.03398	10.4
81.07044	17.7
83.04958	6.7
83.08595	10.3
85.02888	26.4
86.06048	6.8
87.00811	7.1
91.05479	4.6
93.07032	25.9
94.66820	3.9
95.08582	32.4
97.02869	10.4
97.06509	13.6
97.10129	4.1
98.21423	6.9
99.04420	8.3
105.01856	10.3
105.07014	16.4
105.07629	2.8
106.02888	12.8
107.08591	31.0
109.02847	8.5
109.06496	8.3
109.09502	4.9
109.10144	48.9
111.04469	3.6
111.08028	4.2
115.07537	6.8
119.08557	22.4
121.10139	18.1
123.08045	8.6
123.11677	15.1
124.03930	85.4
125.09639	3.5
127.03864	13.1
127.11190	8.1
131.08510	4.4
133.10124	36.9
135.11673	36.3
137.05914	6.2
137.09595	9.0
147.11708	6.1
149.13220	11.8
153.12711	5.9
159.02925	4.8
175.14795	60.8
177.05511	3.7
177.16374	45.5
193.15855	73.3
209.15320	5.8
211.16895	100.0
239.08888	3.3
241.79926	3.4
259.34433	3.6
268.08066	7.7
286.09183	89.1
310.04251	4.8
314.27200	3.9
332.27939	18.5
340.08887	6.3
403.40695	3.6
494.14838	8.4
494.21640	4.5
494.33438	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	494.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.1
53.03926	2.9
55.05500	2.7
55.23041	1.1
57.03418	1.4
59.04988	1.1
59.64056	0.9
67.05491	4.5
67.08932	0.9
69.03416	7.1
69.07043	4.0
69.28418	2.7
69.28828	10.6
71.04981	1.9
78.03443	6.4
79.05486	6.4
80.04980	2.5
81.03403	11.0
81.07037	15.7
83.04964	2.8
83.08604	3.3
85.02890	5.1
86.09697	3.3
91.05447	3.5
93.06995	6.6
95.04948	4.1
95.08595	4.1
96.04483	3.7
97.02869	4.5
97.06519	4.7
99.04439	3.1
105.07026	7.1
106.02899	37.9
107.08575	13.0
109.02863	7.0
109.06504	20.7
109.10149	10.5
111.08092	2.8
117.07015	1.5
119.08599	5.1
121.10135	8.2
123.08011	2.5
123.11683	5.6
124.03935	100.0
125.09669	1.2
127.03865	2.7
131.08539	2.2
133.10126	12.6
135.08031	3.9
135.11642	2.1
137.05960	5.2
137.35574	1.0
138.06340	1.4
145.10118	3.3
147.11652	3.6
149.13191	5.9
151.11159	3.7
153.01837	1.3
153.09125	6.5
163.14813	2.0
165.06934	2.6
165.12759	2.2
166.05028	1.5
167.07111	1.1
167.14265	5.0
173.13255	9.2
175.14810	5.6
191.08176	1.2
191.14270	6.5
198.32288	1.0
209.15355	12.8
222.02835	1.3
232.06062	3.0
250.07106	10.0
268.08124	47.2
268.10992	2.4
286.09161	22.8
293.73727	1.1
301.03101	1.2
302.03677	2.8
311.20999	1.3
317.05646	1.2
331.08054	3.4
332.08426	9.9
332.15823	1.7
364.46463	1.2
421.14185	1.2
448.14346	1.3
494.23795	5.7
495.18155	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	494.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89337	2.3
53.03939	3.3
55.01854	2.6
55.05490	3.4
55.47509	2.1
56.05017	4.0
57.00071	2.3
57.03430	2.5
61.01138	2.7
61.13257	2.0
61.83150	2.2
63.68365	2.0
67.05486	6.5
69.03413	6.6
69.07044	6.6
70.06544	2.5
70.14301	7.5
71.04974	8.3
74.06074	3.4
78.03446	3.0
79.05482	16.1
81.03390	7.0
81.07029	8.4
83.04951	3.1
84.04485	3.8
84.08112	3.2
85.02891	11.0
86.09692	10.5
87.00787	2.3
91.05468	18.5
92.91100	2.1
93.03375	2.1
93.07021	16.1
95.04926	5.3
95.08569	4.6
96.04485	2.5
97.02860	7.3
97.06522	4.5
99.04446	4.1
104.05302	7.2
105.07010	17.9
106.02911	13.1
107.04913	7.5
107.08581	23.0
109.02857	5.8
109.06472	4.1
109.10128	4.6
117.07027	2.9
119.04883	2.7
119.08575	17.4
121.06496	15.0
121.10139	12.9
124.03931	43.0
125.05952	3.4
126.05453	2.4
127.03904	6.3
129.05363	2.2
129.06973	4.7
131.08554	71.9
133.10106	7.0
135.11635	4.2
137.05975	16.6
138.05421	3.2
138.06320	6.9
143.08530	2.3
145.02838	2.8
145.04910	2.8
145.10103	16.4
146.11740	5.1
147.04411	6.5
147.07986	3.0
147.11720	3.3
149.02274	4.4
149.09599	27.8
150.02635	2.2
151.07538	2.9
153.01797	14.7
153.05460	6.3
154.02103	4.6
161.05949	3.1
162.05463	2.4
163.11163	9.4
163.14757	3.7
165.04861	3.2
165.09164	3.0
175.14806	20.2
177.05322	4.2
190.72702	2.1
191.10631	18.7
193.15871	5.5
209.11716	63.2
217.08170	2.1
227.10626	2.3
228.04153	5.0
229.04518	6.2
230.15872	3.3
232.03215	2.8
243.06010	2.4
247.07561	2.9
247.16496	4.5
250.07060	2.7
256.03513	3.5
257.04047	5.3
268.08124	11.0
271.05875	3.9
272.06155	5.5
274.03958	5.9
285.03391	3.5
286.09128	18.6
288.12347	2.4
299.05359	2.9
300.05771	8.9
301.03342	9.6
302.03729	13.0
316.05719	3.6
317.05994	13.6
331.08057	34.9
332.08417	100.0
333.05786	5.6
333.09073	3.3
458.14981	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	494.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.79449	0.3
55.01849	1.1
55.05504	2.4
56.68671	0.4
57.03424	3.0
59.04980	0.7
61.02898	0.5
69.03420	8.8
69.40918	3.3
69.99303	0.4
70.05199	0.3
71.01315	1.1
71.04976	4.4
71.26746	0.3
73.02884	1.0
77.54189	0.3
79.05468	0.6
81.03403	8.8
83.04975	2.4
85.02884	3.9
88.14713	0.3
90.36167	0.3
91.05442	1.3
97.02885	1.8
99.04443	19.9
103.03931	6.5
105.07042	0.5
109.02863	7.3
116.04963	0.5
117.05484	4.5
118.06519	2.5
120.08075	0.6
127.03896	8.0
132.08064	1.2
135.06488	1.2
137.05983	2.7
138.06262	1.0
145.07581	11.8
145.08733	0.7
146.08398	2.4
147.09151	27.8
148.09509	0.5
149.05928	0.4
149.60500	0.4
151.07455	0.7
152.07939	0.4
157.07617	1.3
159.09158	19.0
160.09950	4.6
161.07278	0.4
161.10732	2.3
163.07487	0.4
169.07510	0.4
170.08284	0.5
171.09178	1.3
173.07138	1.1
173.10706	2.7
174.11397	0.6
175.08659	4.3
182.08392	0.8
184.09964	1.7
185.10701	5.9
186.11461	0.8
187.08644	4.3
187.12227	2.1
189.10222	4.8
190.09671	0.9
191.08127	100.0
192.08583	1.9
197.10704	4.1
199.08614	2.0
199.12256	4.5
200.09389	1.7
201.10266	1.9
202.11031	0.4
203.11650	1.6
213.10146	2.1
215.08206	1.8
215.11778	3.6
216.07651	16.4
217.09724	0.9
217.13416	0.5
225.10310	2.8
227.08145	0.6
227.11720	2.7
228.08936	0.5
229.13245	2.1
233.09143	1.0
233.12810	0.6
243.08658	1.0
243.11298	2.5
245.09241	1.7
245.12827	7.2
253.09810	0.7
261.09698	0.5
263.13889	9.0
271.10709	4.9
288.13269	0.6
289.08813	0.4
289.11761	10.2
305.14886	4.1
306.14484	4.3
307.12836	41.3
308.13239	1.2
308.83847	0.4
314.11264	0.4
324.15576	2.5
331.08197	0.4
331.12814	0.5
332.12265	2.7
345.18036	3.5
347.16077	1.0
349.13965	0.7
350.13446	8.7
371.15973	1.3
388.18527	0.8
389.17032	14.5
389.22079	0.7
390.17374	0.5
391.14990	1.6
406.19669	3.7
407.18182	1.0
415.14841	4.7
432.17599	7.9
433.16006	6.3
434.15906	0.8
450.18716	5.3
451.17065	28.3
452.17307	0.6
476.16592	4.8
494.17648	79.8
495.18140	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03937	10.9
55.01871	15.5
55.05507	45.1
57.03431	17.2
57.07056	2.2
59.04979	4.3
65.03924	4.0
67.05143	2.9
67.05498	55.3
69.03411	7.6
69.07056	16.8
69.34067	22.2
69.93324	1.6
71.01337	2.2
71.04980	12.9
77.03970	2.2
79.05031	3.2
79.05486	62.7
81.03410	94.1
81.07048	67.0
81.08662	1.9
83.01333	8.6
83.04969	30.4
83.08609	40.4
85.02387	2.5
85.02894	40.7
85.06519	3.5
91.05469	63.4
93.07032	61.3
95.04962	38.7
95.08591	24.2
97.02892	8.5
97.06528	21.8
97.10128	10.9
98.06799	2.1
99.04417	3.5
102.24355	1.7
103.05481	2.5
105.06340	2.8
105.07026	42.1
107.04949	19.8
107.08588	30.0
109.06504	14.1
109.10164	10.9
111.04440	14.5
111.08070	17.4
113.05987	5.0
115.05418	3.7
117.07006	17.8
119.08567	35.6
121.06484	7.1
121.10120	19.0
123.04375	2.0
123.08039	13.1
123.11694	3.9
125.05943	2.9
125.09638	6.9
128.06183	2.4
129.06996	14.8
130.07710	3.6
131.04884	6.4
131.08548	21.6
133.06483	4.4
133.10101	16.3
135.08034	5.1
135.11659	21.0
137.06023	2.9
137.09612	4.6
142.07756	4.2
143.08531	3.7
145.06497	3.8
145.10115	25.5
147.08026	5.5
147.11682	17.6
149.09549	9.9
153.12714	9.9
155.08508	2.9
157.10109	18.4
159.11714	2.0
161.09500	2.1
163.11159	40.9
165.09087	1.8
165.12762	3.0
173.09624	6.1
175.11169	19.6
181.12262	9.1
189.11160	2.2
191.10638	8.1
193.12222	75.4
209.11632	9.7
211.11232	4.1
211.13255	66.2
211.14845	2.4
227.12738	11.2
265.14169	2.9
267.15887	7.2
283.15353	5.3
331.08041	3.1
337.37549	1.7
345.09485	2.1
382.20837	2.9
383.22125	2.6
385.85083	2.0
401.23267	3.4
475.26770	8.1
493.27814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95162	1.7
53.03935	8.4
55.01872	13.5
55.05502	28.0
57.03425	11.7
57.07064	2.8
65.03909	3.0
67.05149	2.7
67.05496	52.8
69.03417	8.9
69.07057	18.0
69.78657	1.6
71.04972	8.3
71.59241	3.4
73.04508	1.9
79.05481	62.0
81.03407	65.3
81.07046	58.3
83.04967	20.4
83.08605	28.1
85.02895	19.9
85.06490	2.5
91.04932	3.7
91.05467	47.5
93.07030	66.7
95.04960	38.4
95.08593	49.7
97.02879	7.7
97.06524	21.9
97.10146	7.9
99.04441	6.5
103.05460	3.6
105.07007	31.4
107.04929	17.5
107.08580	41.8
109.06506	7.8
109.10126	13.5
111.04418	7.2
111.08102	9.6
113.06001	2.2
115.05424	3.9
117.06995	20.8
119.08564	29.8
121.06505	12.1
121.10129	28.3
123.08046	4.4
123.11703	4.1
125.05984	4.0
125.09620	4.5
129.06992	13.1
130.07759	3.2
131.04936	4.6
131.08539	18.3
133.06450	5.7
133.10124	13.4
135.08040	6.9
135.11688	46.1
137.05966	5.5
137.09627	3.1
139.07555	2.5
142.07768	3.6
142.80176	1.8
143.08530	4.9
145.10117	30.3
147.08009	4.2
147.11661	16.9
149.09567	7.1
151.07527	3.9
151.11140	2.3
153.12691	4.2
157.06415	2.3
157.10088	13.9
159.11713	3.9
161.09683	2.6
163.09796	3.6
163.11165	69.6
165.09094	6.0
165.12756	2.2
167.07002	2.4
173.09558	4.2
175.11137	13.6
177.05466	4.5
179.08611	2.4
181.12170	17.7
185.05869	2.4
189.11121	4.2
191.10626	4.7
193.12219	39.6
209.11737	7.5
211.13264	51.8
227.12744	100.0
228.13083	3.7
240.11356	4.0
249.14912	2.3
267.15866	20.1
283.15302	9.5
331.08154	3.6
382.20862	5.2
383.21973	3.7
401.22946	3.4
475.20636	5.1
475.26849	13.4
477.53546	1.9
493.21713	5.4
493.27856	80.2
494.11584	2.5
494.28531	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	493.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01863	1.9
55.05237	1.2
55.05503	16.4
57.03434	5.7
57.07061	2.1
65.03910	2.9
67.05496	17.5
69.03423	4.5
69.07056	13.7
70.23168	2.0
70.23578	2.7
71.04984	14.1
77.54897	0.9
79.05481	36.3
81.03402	6.9
81.07047	36.9
83.04952	3.4
83.08620	10.0
91.05467	40.9
92.05751	1.0
93.07033	60.0
94.07359	1.2
95.04952	11.5
95.08597	9.1
97.06516	6.7
97.10146	2.7
103.05417	1.5
105.04495	1.8
105.07011	21.3
107.04945	5.8
107.08578	36.7
109.06497	10.5
109.10151	2.3
111.08054	1.3
114.75751	1.0
115.05435	3.5
117.07009	18.7
119.04964	1.1
119.06045	1.2
119.08562	17.7
120.08879	1.0
121.06490	11.6
121.10133	12.2
122.07277	1.6
123.08036	3.3
123.11665	1.1
125.09560	1.8
128.06177	1.6
129.06990	9.8
130.07759	3.8
131.08554	23.5
133.06532	1.4
133.10153	7.9
135.08037	6.9
135.11668	9.6
142.07835	1.7
143.08545	1.7
144.09344	5.3
145.06480	1.6
145.10081	3.4
147.08023	2.2
147.11713	2.1
149.02393	1.3
149.09604	2.0
149.13242	20.8
150.03059	1.7
153.01801	11.9
157.10066	3.4
159.11676	19.6
163.03925	1.1
163.11064	1.3
171.11612	1.1
173.05981	1.4
173.13336	0.9
175.11240	1.5
177.12721	42.0
179.03323	1.7
185.06015	1.0
187.03989	1.4
191.03419	3.1
193.04967	1.2
193.10136	1.5
193.12184	2.4
201.05513	4.7
202.72247	0.9
203.03294	1.5
204.04193	1.7
205.04984	1.7
209.04364	1.5
211.03905	1.2
211.13214	1.5
213.05443	2.9
227.12750	2.9
229.04887	11.4
231.02896	1.5
243.06465	1.9
257.04443	13.0
271.05914	3.2
284.03061	1.4
285.03918	11.7
299.05396	2.2
302.04114	3.8
315.04910	4.0
316.05539	1.1
317.06519	100.0
318.06723	2.3
344.01132	1.0
351.22821	1.1
364.20306	1.3
387.25143	1.5
443.27927	1.8
461.28662	3.7
493.21512	1.0
493.31058	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	493.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90509	0.3
53.03903	0.7
55.01839	0.7
55.05505	1.6
57.03396	0.3
57.07041	0.3
65.03907	0.3
67.05491	2.4
69.03394	0.5
69.07020	0.9
69.98849	0.3
70.68063	0.6
70.68446	0.6
71.04951	0.3
72.18526	0.3
79.05479	3.3
81.03407	1.9
81.07061	2.6
83.04924	1.1
83.08575	0.8
85.02872	0.5
91.04958	0.3
91.05469	4.0
93.07035	2.4
95.01311	0.6
95.04953	2.1
95.08559	1.2
97.02871	0.5
97.06493	1.3
97.10140	0.5
102.04648	0.6
103.04855	0.4
103.05447	4.6
105.06355	0.4
105.07013	4.4
107.01217	0.4
107.04930	2.3
107.08557	1.3
108.02075	0.4
109.06506	0.8
109.10102	0.8
111.04394	0.8
111.08045	0.4
112.29935	0.3
115.05388	0.5
117.06961	1.0
118.04149	2.9
119.04877	0.6
119.08543	1.2
121.06496	2.9
121.10078	1.0
123.00780	3.1
123.04391	0.7
128.06203	1.6
129.06987	0.4
130.04158	1.7
131.04915	3.8
131.08546	0.7
132.05663	0.8
133.06479	3.3
133.10104	0.9
134.07112	0.3
135.04411	1.5
135.08002	0.3
135.11656	0.7
137.02325	0.4
137.05917	0.5
137.09406	0.3
141.06908	0.4
143.08485	0.5
144.05659	0.4
145.02814	0.3
145.06462	0.5
145.10089	0.6
146.03525	0.5
147.04295	0.7
147.11688	0.5
148.05127	1.2
149.02290	0.4
149.05969	1.8
149.09515	0.3
151.03870	0.5
151.07460	0.3
152.00998	1.5
153.06978	0.6
156.05650	0.4
157.04945	0.3
157.10066	0.6
158.03551	0.3
159.04301	0.5
160.05222	0.8
161.05954	3.9
162.06494	0.4
163.03827	0.5
163.11107	0.7
163.51083	0.3
165.06857	0.3
167.06989	1.5
168.05646	0.8
169.06450	0.6
170.02042	0.9
171.08037	9.3
175.03883	0.3
175.07489	0.4
175.11136	0.4
176.04648	2.2
177.05460	1.6
178.06157	0.7
179.06964	0.6
181.06450	1.1
183.08008	1.5
184.05147	2.2
185.05885	0.6
189.09084	0.4
189.11131	0.3
191.07021	4.2
191.10643	0.3
192.07809	0.4
193.08556	1.8
193.12262	1.0
195.04346	0.5
196.05191	0.5
197.05931	0.7
198.06641	0.4
199.07460	1.1
201.05389	0.5
201.09137	0.3
207.06581	0.3
209.05905	3.9
209.11655	0.5
211.07555	1.5
211.13216	0.6
212.04651	1.0
213.05426	0.6
214.06224	0.4
223.03897	0.7
224.04453	0.3
225.05470	0.5
227.06906	0.8
227.12772	0.9
229.04971	0.4
229.08582	2.8
239.03275	0.5
239.06908	0.9
240.04256	1.7
240.07787	2.7
241.04913	1.1
242.05681	0.6
253.04955	0.8
255.06485	100.0
256.06943	3.1
267.15973	0.4
268.07108	0.4
269.04388	1.1
269.08026	1.0
273.07507	0.8
281.08099	0.8
283.05978	40.2
284.06699	10.7
285.07538	20.7
286.07809	0.5
295.06104	0.5
301.06961	0.6
331.08127	0.7
364.19775	0.6
463.14215	4.5
475.13828	37.0
476.14087	1.4
493.14902	42.7
493.27478	1.6
494.15314	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	493.1335
Annotation	Lagotiside
Peak:m/z	Relative Intensity
52.62236	0.2
62.00417	0.2
68.99818	0.2
69.03407	0.4
69.38540	0.8
69.38972	0.9
80.88014	0.2
81.03424	0.2
83.14194	0.2
84.65329	0.2
85.02877	0.4
87.20161	0.2
89.90160	0.2
91.05462	0.2
94.97043	0.2
97.02885	0.3
122.03604	0.4
123.04414	0.5
137.05956	2.9
145.06433	0.2
149.02313	2.8
149.05983	0.2
151.07547	0.6
153.01808	11.0
153.05394	0.9
161.06039	0.2
163.03909	0.2
163.07570	0.4
164.04666	3.3
170.02020	0.2
177.05418	0.3
179.03365	0.3
190.28871	0.2
200.14507	0.2
203.03357	0.8
205.04904	1.4
212.01675	0.2
217.04878	0.5
228.04150	4.7
231.02847	3.2
231.05099	0.3
239.03555	0.4
243.06540	0.4
245.04422	1.0
255.02831	0.4
255.10162	0.2
256.03604	3.6
271.06003	2.7
273.03903	6.5
275.09006	0.2
283.02319	0.5
284.03149	2.6
285.03821	0.7
285.11145	0.2
285.59970	0.2
287.12830	0.4
299.05423	3.3
301.03387	29.6
302.03769	0.6
303.08627	0.3
316.05734	15.1
317.05963	0.3
331.08069	100.0
332.08450	2.2
493.13284	3.4
493.25482	0.3
494.12662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1335
Annotation	Lagotiside
Peak:m/z	Relative Intensity
60.20061	0.4
60.83393	0.4
68.99811	0.5
69.03402	1.4
69.75883	3.0
79.05460	0.6
81.03400	1.1
85.02483	0.4
85.02905	3.6
91.05451	1.2
95.04945	1.2
96.05280	0.6
97.02872	1.9
97.06512	0.8
107.04900	0.8
119.04909	0.5
119.08583	0.4
121.10171	0.6
122.03616	0.6
123.04399	1.1
127.03913	1.1
131.04915	0.4
135.04468	0.5
137.05966	6.2
145.02924	0.5
147.04396	1.0
149.02345	6.5
149.05992	0.7
151.07492	1.4
153.01810	18.0
153.05424	0.9
163.07500	1.5
164.04645	3.0
173.47777	0.5
177.05458	0.6
179.03459	0.5
186.03079	0.7
191.03331	0.7
200.04706	2.4
203.03340	0.8
205.04938	1.4
209.15414	0.7
227.10704	0.4
228.04144	9.1
229.04927	0.5
231.02934	3.6
239.03450	0.9
241.05028	0.6
243.06471	1.0
245.04274	0.7
256.01141	0.7
256.03641	7.7
261.03915	1.1
271.05981	7.7
273.03882	4.8
283.78220	0.5
284.03152	4.2
285.03867	0.7
287.12473	0.7
299.05472	8.7
301.03412	23.4
302.03745	0.6
303.08575	0.8
309.04004	1.1
316.05722	17.2
324.06400	0.6
331.08075	100.0
332.08441	2.8
339.08612	1.6
345.09564	0.6
385.12424	0.7
457.14969	2.1
493.15921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24323	0.3
55.01857	0.5
55.05490	0.5
56.04799	0.3
56.05025	2.8
58.06578	0.8
61.01145	1.8
67.05483	0.4
68.99802	0.5
69.03415	0.4
69.07037	0.3
69.55493	0.3
70.02928	0.3
70.06564	0.5
71.60371	0.5
72.08147	0.4
74.06072	3.0
77.23013	0.3
77.32783	0.3
79.05458	0.6
81.03373	0.5
81.07024	0.5
81.68387	0.3
83.04983	0.4
83.06130	0.3
84.04475	1.2
84.08101	0.3
85.02876	0.8
86.09695	4.5
86.28422	0.3
89.84676	0.3
91.05459	1.2
93.07035	0.5
94.04154	0.3
95.04926	0.7
95.08619	0.3
97.02869	1.7
97.06517	0.8
98.03210	0.3
101.07131	0.3
103.05457	0.4
104.05322	3.4
105.07003	0.6
107.04932	0.4
107.08573	0.6
108.04410	0.3
109.10168	0.3
111.04443	0.3
119.04959	0.4
119.08599	0.6
121.10117	0.4
122.03617	0.5
123.04419	0.8
125.07159	0.3
126.05478	0.9
127.03895	0.5
131.04916	0.5
131.08566	0.6
133.06432	0.3
135.08018	0.4
137.05948	6.7
138.68393	0.3
144.06589	0.4
145.10152	0.3
146.11739	4.4
147.04407	0.5
149.02306	3.9
149.05939	0.4
151.03880	0.3
151.07526	1.5
153.01805	14.8
153.05447	1.2
154.72563	0.3
157.06400	0.3
163.07506	1.2
164.04651	2.7
167.03363	0.6
167.07082	0.7
167.08504	0.3
169.13345	0.3
171.07733	0.3
174.05811	0.8
175.07509	0.4
177.05478	0.7
178.06099	0.4
179.03363	0.7
187.07506	0.4
187.14395	0.6
189.08861	0.4
191.03268	0.5
197.12811	0.5
200.04692	1.4
201.06920	1.3
203.03424	0.8
205.04900	1.3
210.15678	0.6
217.04794	0.6
217.08237	0.7
219.07988	0.8
227.10686	0.3
228.04144	7.4
228.16768	0.4
229.15424	1.7
231.02882	2.5
239.03358	1.3
243.06526	0.9
245.04337	0.6
247.07460	2.1
247.16505	3.5
255.10094	0.4
256.03619	5.4
257.04248	0.4
270.05292	0.3
271.05969	7.1
273.03860	4.3
284.03098	4.5
285.03824	1.1
287.12863	0.9
288.06232	0.7
299.05463	7.6
300.05948	1.0
301.03375	19.5
302.03552	0.4
303.04947	1.7
303.08600	0.8
316.05725	15.1
330.10748	0.7
331.08060	100.0
332.08304	2.1
344.18207	0.4
348.12280	1.4
413.12259	0.5
415.19858	0.3
457.14758	0.9
461.32272	0.3
475.22000	0.5
485.04904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1335
Annotation	Lagotiside
Peak:m/z	Relative Intensity
50.24323	0.3
55.01857	0.5
55.05490	0.5
56.04799	0.3
56.05025	2.8
58.06578	0.8
61.01145	1.8
67.05483	0.4
68.99802	0.5
69.03415	0.4
69.07037	0.3
69.55493	0.3
70.02928	0.3
70.06564	0.5
71.60371	0.5
72.08147	0.4
74.06072	3.0
77.23013	0.3
77.32783	0.3
79.05458	0.6
81.03373	0.5
81.07024	0.5
81.68387	0.3
83.04983	0.4
83.06130	0.3
84.04475	1.2
84.08101	0.3
85.02876	0.8
86.09695	4.5
86.28422	0.3
89.84676	0.3
91.05459	1.2
93.07035	0.5
94.04154	0.3
95.04926	0.7
95.08619	0.3
97.02869	1.7
97.06517	0.8
98.03210	0.3
101.07131	0.3
103.05457	0.4
104.05322	3.4
105.07003	0.6
107.04932	0.4
107.08573	0.6
108.04410	0.3
109.10168	0.3
111.04443	0.3
119.04959	0.4
119.08599	0.6
121.10117	0.4
122.03617	0.5
123.04419	0.8
125.07159	0.3
126.05478	0.9
127.03895	0.5
131.04916	0.5
131.08566	0.6
133.06432	0.3
135.08018	0.4
137.05948	6.7
138.68393	0.3
144.06589	0.4
145.10152	0.3
146.11739	4.4
147.04407	0.5
149.02306	3.9
149.05939	0.4
151.03880	0.3
151.07526	1.5
153.01805	14.8
153.05447	1.2
154.72563	0.3
157.06400	0.3
163.07506	1.2
164.04651	2.7
167.03363	0.6
167.07082	0.7
167.08504	0.3
169.13345	0.3
171.07733	0.3
174.05811	0.8
175.07509	0.4
177.05478	0.7
178.06099	0.4
179.03363	0.7
187.07506	0.4
187.14395	0.6
189.08861	0.4
191.03268	0.5
197.12811	0.5
200.04692	1.4
201.06920	1.3
203.03424	0.8
205.04900	1.3
210.15678	0.6
217.04794	0.6
217.08237	0.7
219.07988	0.8
227.10686	0.3
228.04144	7.4
228.16768	0.4
229.15424	1.7
231.02882	2.5
239.03358	1.3
243.06526	0.9
245.04337	0.6
247.07460	2.1
247.16505	3.5
255.10094	0.4
256.03619	5.4
257.04248	0.4
270.05292	0.3
271.05969	7.1
273.03860	4.3
284.03098	4.5
285.03824	1.1
287.12863	0.9
288.06232	0.7
299.05463	7.6
300.05948	1.0
301.03375	19.5
302.03552	0.4
303.04947	1.7
303.08600	0.8
316.05725	15.1
330.10748	0.7
331.08060	100.0
332.08304	2.1
344.18207	0.4
348.12280	1.4
413.12259	0.5
415.19858	0.3
457.14758	0.9
461.32272	0.3
475.22000	0.5
485.04904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1336
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03946	0.8
55.01863	0.8
57.03436	1.2
62.41785	0.5
67.05474	1.0
69.03410	1.9
70.06579	1.4
70.91166	1.7
72.08145	0.8
79.05481	1.2
80.35769	0.6
81.03413	1.2
83.04978	0.7
84.04443	0.6
84.08134	0.8
85.02895	3.1
85.57053	0.6
86.09666	1.0
90.91412	0.5
91.05451	1.5
93.06997	0.6
95.04948	1.0
97.02896	3.5
97.06522	1.9
105.07029	1.2
107.04935	0.6
107.08580	0.9
109.02878	1.4
110.09680	0.6
111.04433	1.1
119.08539	0.8
121.06474	0.8
121.10126	0.8
123.04394	0.8
125.09623	0.6
127.03863	1.0
135.04440	1.3
136.07481	0.9
137.02278	0.8
137.05952	3.9
139.03912	1.3
147.04280	0.5
150.03157	1.1
151.03883	1.3
151.07484	0.9
153.01883	0.6
163.03896	1.3
164.04353	1.0
167.03395	8.5
175.03854	0.9
177.05437	1.4
179.03333	0.7
191.03389	2.8
193.04967	1.0
202.10744	1.4
203.03374	2.2
207.08020	0.7
209.05896	0.6
211.03865	0.6
212.04715	0.6
215.07018	1.0
217.04973	1.1
218.05634	1.3
219.06442	2.7
226.06261	0.7
228.04155	3.3
239.11839	3.6
242.05725	1.2
243.06493	8.3
245.04486	1.3
247.06123	0.6
247.85614	0.6
251.06915	0.7
256.03699	1.9
257.08136	0.8
266.10507	0.9
267.11252	4.5
270.05258	1.0
271.05957	9.1
273.03873	1.0
275.09195	0.9
284.03113	2.3
285.07578	1.6
295.10696	3.0
298.04807	1.2
299.05460	8.7
301.03436	5.9
301.10806	0.7
313.07266	1.3
313.11792	4.9
316.05698	6.3
318.14438	1.1
331.08090	100.0
332.08337	3.0
493.11737	1.2
493.18039	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	493.1334
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.22879	0.6
55.01828	0.7
67.05449	0.7
67.41357	0.6
69.03370	1.0
69.07030	0.9
69.50962	4.1
69.51389	2.1
70.06525	0.7
72.08112	0.6
84.04501	0.7
85.02871	1.4
91.05448	0.9
93.06974	0.7
94.06525	0.8
96.08031	1.1
96.69701	0.7
96.83783	0.7
97.02826	1.6
97.06452	0.7
97.78990	0.7
102.39331	0.8
105.06956	0.9
107.04886	0.8
110.09616	1.8
120.08002	1.2
121.10130	0.8
123.04353	0.7
136.07491	0.9
137.05881	1.5
138.09128	1.1
149.02289	2.6
151.03870	0.9
153.00883	0.7
153.01808	8.0
153.05365	0.9
164.04599	2.8
166.08548	2.7
167.03355	2.8
167.07042	1.2
177.05377	1.2
187.07552	0.8
190.04956	1.0
191.03336	1.2
205.04961	1.5
219.06348	0.7
228.04195	5.8
229.09702	0.8
231.02769	3.4
243.06398	1.5
243.11092	0.7
245.04471	1.2
256.03668	3.0
271.05991	4.5
273.03885	4.8
284.03098	2.5
285.03812	1.2
289.14468	0.8
299.05603	5.9
299.13800	3.2
300.14209	1.6
301.03412	23.9
301.14410	3.2
303.04840	0.8
315.13263	0.9
316.05737	14.8
316.14099	4.6
317.14334	6.5
318.14694	7.5
331.08093	100.0
332.08310	1.8
356.21533	1.0
493.17191	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	493.1333
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.01585	0.2
53.91262	0.2
57.03425	0.5
69.03436	1.1
70.06039	0.3
70.06463	0.9
71.04967	0.2
72.08121	0.2
79.05496	0.3
81.03394	0.5
81.07045	0.3
85.02892	2.1
86.29793	0.2
87.04440	0.2
91.05486	0.2
97.02868	0.9
107.04873	0.3
109.02859	0.5
120.39418	0.2
121.02816	0.3
123.04436	0.5
123.35799	0.2
127.03928	0.5
137.05997	0.5
146.30370	0.3
147.04353	0.3
148.04712	0.2
149.02322	4.8
149.99864	0.2
153.01811	14.3
153.05411	1.0
161.09578	0.4
163.03902	0.5
164.04655	3.2
165.09180	0.3
200.04643	0.5
203.03410	1.1
205.04959	1.9
217.04935	0.5
227.03423	0.4
228.04153	6.1
229.04610	0.3
231.02849	5.1
239.03336	0.3
243.06522	0.4
245.04420	1.5
255.02872	0.6
256.03650	4.0
271.05969	2.8
273.03925	8.5
274.04276	0.3
283.02362	0.6
284.03070	3.2
285.03864	0.9
299.05460	4.1
300.06580	0.2
301.03400	36.4
302.03705	0.9
303.08572	0.3
316.05740	15.3
317.06073	0.3
331.08081	100.0
332.08441	2.1
367.32693	0.2
493.13025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01870	3.7
55.05500	6.3
57.03421	4.8
57.07059	2.4
57.54588	1.3
60.95123	1.5
61.02919	3.4
67.05495	2.8
69.03423	21.4
69.07053	4.3
70.03215	4.6
70.03624	2.9
71.04981	5.4
73.02910	3.6
79.05486	6.0
81.03406	15.6
81.07042	10.9
83.04970	3.0
83.08611	4.8
84.04477	1.3
85.02892	45.7
85.06531	4.1
87.00818	22.7
91.05476	6.7
93.07032	7.6
95.04963	16.7
95.08615	7.6
97.02887	18.1
97.06517	23.2
97.10162	1.6
99.04424	10.3
99.08099	4.1
104.81884	1.4
105.01855	20.3
105.07011	18.2
107.08571	14.9
109.02874	11.5
109.06505	33.9
109.10138	8.4
111.08089	3.7
113.06026	1.6
115.07580	3.6
117.06977	1.6
119.08559	13.2
121.10137	24.1
123.08056	8.3
123.11691	3.3
125.06004	1.5
125.09605	1.8
127.03912	25.1
129.01860	1.4
131.08559	12.3
133.10112	56.5
135.08031	7.4
135.11696	3.6
137.02351	1.9
137.05949	5.6
137.09644	1.4
145.04938	11.0
145.10103	5.1
147.11655	29.0
147.12723	2.3
149.09584	2.5
149.13248	5.3
151.07509	2.3
151.11156	2.4
153.09073	18.9
159.02846	7.5
163.11090	2.4
163.14780	5.2
165.12727	11.3
171.10110	2.8
173.13249	27.8
175.14824	2.7
177.05507	2.2
191.14284	51.5
196.65227	1.5
209.15344	97.1
210.15747	3.3
227.16389	100.0
228.16800	3.8
231.04950	7.1
254.75624	1.3
329.02255	1.6
331.07996	11.7
413.16580	1.7
439.19397	2.4
457.14865	1.9
475.15845	2.4
493.11255	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	492.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.1
55.01884	3.9
55.05491	14.3
57.03417	6.2
57.07058	4.0
62.06081	3.4
65.32879	2.9
66.21009	2.8
66.93427	2.9
67.05477	8.5
69.03426	18.8
69.07044	13.1
69.91730	7.2
69.92146	13.5
71.04989	5.6
72.08144	3.5
75.38076	4.4
79.05470	9.3
79.37904	3.0
81.03410	17.4
81.07053	28.8
81.37719	3.4
83.04958	14.0
83.08586	10.7
83.46641	3.1
85.02903	26.8
85.06528	3.7
87.00799	12.1
91.05457	16.0
93.07017	14.3
94.06554	3.1
95.04961	20.3
95.08593	14.9
97.02863	21.9
97.06506	15.0
99.04427	12.2
105.01833	13.7
105.07020	26.5
107.08591	23.5
109.02844	11.0
109.06510	32.2
109.10120	28.7
111.08039	5.2
112.77956	3.1
115.07511	3.5
117.07031	3.4
119.08583	19.1
121.10123	23.8
123.04383	4.8
123.11655	7.5
124.07566	3.2
125.09591	6.3
127.03910	18.1
131.08527	11.9
133.10120	55.8
135.08060	7.5
135.11673	3.7
137.06007	5.5
139.11142	5.0
145.04915	9.3
145.10085	7.3
147.04298	4.6
147.11710	17.6
149.02303	4.8
149.13220	10.9
151.11140	12.7
153.01765	15.4
153.09097	8.3
155.08432	3.0
158.10902	3.8
159.02895	4.2
163.03856	2.9
163.14809	6.1
167.14346	14.9
173.13243	22.7
175.14795	41.2
191.14272	29.6
193.15894	5.7
209.15341	100.0
211.07538	5.5
227.16374	27.8
228.04193	4.9
231.04950	7.2
256.03693	4.6
271.05951	6.4
284.03229	4.0
299.05496	6.2
301.03369	17.5
315.04926	4.0
316.05606	16.3
330.07101	7.5
331.08047	85.7
430.16443	9.5
431.40561	3.5
492.16464	19.8
492.22638	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01061	0.6
55.01845	0.7
55.05498	1.5
57.03411	0.6
57.07062	1.4
59.04981	0.7
62.06079	1.4
65.03928	1.1
67.05499	10.5
69.03422	5.6
69.07043	1.4
71.04960	0.7
71.59357	0.8
78.03447	3.3
79.05483	2.6
80.05003	2.1
81.03410	6.2
81.07037	2.5
83.04980	1.4
83.08631	0.9
85.02901	4.1
85.06536	5.4
86.09690	0.6
91.05457	2.3
93.07034	5.0
95.04960	1.8
95.08596	26.3
96.04472	2.6
97.02892	3.2
97.06509	2.4
99.04421	1.2
105.07027	5.4
106.02905	21.9
107.04954	0.7
107.08568	6.8
109.02838	3.7
109.06482	1.0
109.10151	1.5
113.05975	2.5
119.08571	8.0
121.06483	1.9
121.10143	4.2
123.04411	1.0
123.08040	10.5
123.08894	0.6
124.03938	100.0
127.03908	3.9
129.07005	0.8
131.08551	1.0
133.06488	1.0
133.10120	3.5
135.11707	3.7
137.05978	0.8
137.09644	1.5
138.01460	0.6
145.02806	0.8
145.10078	1.1
147.08023	1.8
147.11662	3.7
149.09583	13.9
149.10687	1.1
151.07544	2.6
154.08630	1.8
156.09322	1.1
159.08049	1.5
159.11758	0.8
161.13231	6.7
163.11127	1.2
163.14812	0.7
165.12749	1.9
166.04988	1.1
167.07018	1.0
171.11697	1.3
173.13115	0.6
174.10400	4.6
177.05447	1.0
179.14331	4.6
189.12721	16.1
191.14279	2.8
207.13776	13.5
209.15414	0.8
210.25343	0.7
213.15079	0.7
226.07050	0.7
227.16389	0.8
232.06088	1.9
250.07047	5.5
253.04750	0.7
268.08121	39.8
284.07434	0.7
286.09180	36.6
356.04568	0.7
425.08737	1.6
446.14557	1.1
474.14844	1.3
474.21109	4.5
492.12238	1.0
492.22189	7.7
493.10895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3729
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
54.16663	4.5
55.05487	11.4
57.07049	4.9
58.01164	3.8
67.05491	32.7
69.07046	19.5
71.31810	7.5
79.05477	8.5
81.07059	29.6
83.08570	6.1
85.47084	3.8
87.06339	4.5
91.05473	7.4
93.07026	13.9
95.08587	35.5
97.10143	4.9
99.85614	4.4
102.71970	4.5
105.07008	11.3
107.08564	18.1
109.10143	43.4
116.32157	4.0
119.08571	15.5
121.10139	12.8
123.11703	9.8
125.09616	4.3
128.17992	4.0
129.07060	3.8
133.10126	7.0
135.11667	8.5
145.10252	4.5
147.11699	5.2
149.13153	6.1
163.14801	6.8
163.82086	4.8
171.10110	7.8
205.19493	8.9
220.48857	4.4
247.26056	3.8
337.64807	4.3
368.59906	4.3
427.35165	5.3
443.55862	5.2
455.34717	8.1
473.36154	15.5
491.30020	100.0
491.36758	18.0
492.30493	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.03440	0.6
60.16549	0.5
62.63303	0.5
67.05491	1.7
69.07064	0.8
71.66109	1.3
79.05463	2.8
81.03402	1.1
81.07047	1.9
83.04951	1.0
83.08628	1.0
91.05471	2.3
92.05790	0.6
93.07033	2.3
94.06548	1.4
94.07320	0.5
95.04967	1.4
95.08587	0.7
97.06501	0.5
101.93658	0.5
102.41338	0.5
103.05450	0.6
105.07059	1.0
107.04939	1.1
107.08626	0.6
119.08556	0.8
120.08075	2.4
120.08871	0.8
128.51192	0.5
129.06967	0.7
148.07573	1.5
153.01839	0.5
163.03918	2.9
177.05428	0.8
178.06227	5.4
189.01842	0.6
198.09175	0.8
200.04849	0.6
200.07013	1.1
205.04956	1.5
214.08665	1.0
228.06488	1.1
239.03362	1.7
242.08014	1.7
243.06543	0.7
244.09695	0.6
253.04987	0.7
261.09958	0.6
270.07590	2.3
271.05927	1.5
281.04343	0.7
294.11279	0.7
299.05429	7.3
304.09720	1.1
307.11987	4.6
313.07318	0.7
314.07755	3.6
315.04919	2.5
318.11108	1.0
328.09976	0.6
329.10138	5.6
330.07434	1.7
331.08069	0.7
334.14276	0.9
335.11566	1.6
345.09567	2.9
346.10767	1.6
348.08707	2.6
350.13846	2.1
357.09366	0.7
359.07932	1.4
360.08530	0.7
360.12344	1.2
362.10315	0.8
363.11069	2.1
376.08087	1.5
378.13351	5.4
388.11862	2.7
390.09418	1.0
391.10553	1.2
404.15143	1.3
406.12805	28.7
407.13211	1.3
416.11075	1.1
418.08914	0.7
420.14429	2.9
421.15176	4.1
430.12766	0.8
434.12305	1.5
436.17404	9.7
437.16849	0.8
448.13895	7.3
462.11746	7.8
463.12125	0.9
464.16974	3.2
477.14075	2.1
492.16489	100.0
493.16907	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	491.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01865	15.8
55.05234	3.9
55.05504	65.6
57.03433	11.4
57.07065	8.2
59.04987	3.5
62.06100	2.6
65.03938	4.4
67.05497	71.9
69.03417	14.0
69.07059	45.0
71.04987	8.8
71.08619	3.4
71.66145	4.2
78.51842	2.2
78.98207	2.7
79.05482	63.1
81.03405	24.0
81.07043	100.0
83.04971	9.5
83.08611	48.8
83.27576	2.9
85.02879	12.1
85.06541	12.1
89.08585	2.6
91.05470	32.2
91.05979	3.6
91.90395	2.7
93.07034	45.0
95.04958	24.1
95.08595	83.8
95.38157	2.5
97.02905	9.5
97.06519	79.0
97.10155	62.9
98.10522	2.7
99.08100	5.2
103.05438	2.4
105.07013	30.5
107.04942	27.0
107.08580	41.5
109.02871	6.8
109.06504	21.0
109.10149	50.1
111.04425	2.9
111.08085	7.4
111.11703	11.9
115.05414	3.4
117.06983	12.5
119.05011	2.4
119.08561	17.1
121.06486	25.0
121.10130	20.1
123.08053	4.4
123.11708	21.2
125.09618	50.6
125.13258	5.3
127.11189	2.3
129.06989	11.0
131.04852	4.1
131.08549	17.9
133.06526	5.1
133.10097	14.0
135.08069	13.4
135.11687	13.0
137.05969	8.1
137.09659	2.5
137.13255	13.0
139.11209	2.7
141.06982	2.3
143.08559	4.7
145.06453	9.4
145.10118	15.3
147.04437	5.8
147.08087	7.7
147.11678	6.5
149.09642	4.6
149.13220	13.2
151.03854	2.7
151.07553	3.0
151.11154	4.0
151.14813	11.4
153.09119	6.2
155.08588	4.8
157.06456	2.6
157.10139	6.1
157.15912	3.9
159.08058	5.1
159.11702	7.2
161.09637	8.6
163.07614	2.7
163.11182	10.9
163.14836	7.3
165.06995	3.1
165.09114	5.7
165.16316	6.0
167.08505	4.2
169.10098	3.6
171.08044	3.5
171.10182	3.0
171.11569	3.0
173.06027	6.4
173.09569	4.0
173.13246	11.8
175.07552	2.9
175.11128	5.7
177.05452	3.7
177.12621	2.7
179.17963	6.3
181.06519	6.4
181.10072	3.8
183.08046	4.2
185.09584	2.9
188.08183	3.1
189.09377	4.9
189.11188	33.9
189.12793	4.2
191.14359	6.3
193.12231	7.5
195.07991	4.8
197.06032	3.3
199.07597	3.5
199.13290	2.7
201.09108	2.7
201.12755	2.5
207.08171	3.7
209.09647	4.3
210.06804	3.5
211.07582	4.5
219.08241	2.6
219.13771	52.8
219.21062	2.6
223.07516	5.2
225.09097	5.9
225.11148	4.4
227.12711	21.6
235.07515	4.2
235.96416	2.5
249.14911	2.7
249.25671	2.5
251.06914	3.1
251.10565	2.7
253.04965	2.5
253.08636	3.1
256.14520	3.3
263.10406	3.2
263.12866	5.4
269.08188	4.3
275.16376	3.3
275.27344	7.8
283.06140	4.1
293.28326	14.6
307.13235	5.1
308.17548	3.5
311.29523	7.5
335.09021	3.0
336.17166	6.6
349.21472	5.2
352.20325	6.8
353.21231	4.3
362.18750	5.4
367.22647	10.7
371.11017	3.6
371.22311	6.3
379.11694	16.9
380.19785	34.9
381.20233	9.7
385.23660	12.9
389.23108	6.7
399.21567	4.9
403.24478	3.5
407.24304	3.7
445.20154	3.4
445.25443	11.8
447.17914	5.8
447.27267	3.9
455.18460	2.8
459.27341	23.7
463.21024	6.0
463.26862	8.5
473.18936	13.3
473.25476	6.8
474.19748	3.5
491.19702	22.2
491.26538	36.8
492.26855	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	491.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01858	14.7
55.05505	43.3
55.97250	3.2
57.03416	9.6
57.07051	10.3
59.04983	2.9
59.32400	2.7
65.03937	4.7
67.05495	74.0
69.03419	13.1
69.07059	47.2
71.04980	19.1
71.08620	6.0
71.32025	4.6
79.05038	5.9
79.05483	84.2
79.05939	4.1
81.03412	17.2
81.07045	88.5
83.04977	14.0
83.08609	31.0
83.75513	2.6
85.02901	8.5
85.06525	13.0
91.05466	38.8
93.07034	59.0
95.04956	38.5
95.08588	60.0
95.09142	5.2
97.02877	7.0
97.06517	100.0
97.10153	30.6
99.08085	9.1
103.05434	6.4
105.07026	36.8
107.04935	46.7
107.08569	30.9
109.02908	4.3
109.06509	30.8
109.10138	43.2
111.04415	3.7
111.08064	11.4
111.11699	4.3
113.05991	3.2
115.05465	5.6
117.06998	17.6
119.08571	18.3
121.06493	45.1
121.10128	35.5
123.08069	10.8
123.11691	21.9
125.06011	3.7
125.09605	20.1
125.13296	4.2
127.03848	2.9
128.06161	5.2
129.06956	14.2
131.08566	30.4
133.06477	8.6
133.10141	13.2
135.08043	17.0
135.11671	10.8
137.05991	6.3
137.09563	4.1
137.13274	5.2
139.11163	5.7
141.06937	3.6
143.08537	12.6
145.06425	15.3
145.10086	14.8
147.04425	5.3
147.08022	9.5
147.11691	8.8
149.09579	16.7
149.13312	7.4
151.07545	3.1
153.09113	3.7
155.08546	8.2
157.06494	6.2
157.10139	10.4
159.08067	4.0
159.11671	7.9
159.24103	2.7
161.09601	6.2
163.11185	7.2
165.09106	8.6
167.08598	4.1
167.10585	6.2
167.14386	3.2
169.06520	5.6
169.10037	5.5
171.08122	4.6
171.11726	6.5
173.06007	4.7
173.09544	5.3
173.13219	6.5
175.07634	3.2
175.11145	4.6
181.06378	5.8
181.10031	4.9
183.08092	6.0
183.11613	3.4
185.05949	4.1
187.07582	3.5
187.11130	6.3
189.09378	3.1
189.11212	12.1
191.14357	5.9
193.12257	8.2
195.07983	6.8
197.05899	4.7
197.09705	3.4
199.07613	4.1
199.13292	10.6
205.12274	3.7
207.08081	5.2
211.07529	7.8
213.08972	3.0
219.07974	4.1
219.11868	3.3
219.13795	12.4
223.07477	4.8
223.13312	3.1
225.09114	6.5
231.13680	4.6
233.15356	4.7
236.08118	3.0
237.09216	3.4
247.16829	5.3
249.14896	5.7
251.10764	5.0
255.13683	4.9
269.08041	3.7
273.14853	8.7
275.16397	10.4
275.27322	5.1
281.08099	4.1
283.06064	5.2
293.28342	12.3
297.07553	3.1
307.13306	5.2
311.29544	16.4
329.10187	3.7
329.30115	5.3
336.17160	9.9
339.23132	5.5
349.21481	14.9
352.20444	8.6
362.18674	4.7
367.22604	33.1
379.11710	20.2
380.12320	3.4
380.19794	38.8
381.20209	4.8
385.23721	42.5
399.25250	5.9
403.24835	7.9
417.20551	9.3
417.26059	4.9
441.25995	6.1
445.13089	4.3
445.19995	5.0
447.18445	5.6
455.18546	3.4
459.27396	83.2
460.27692	7.7
473.19571	16.9
473.29065	4.1
491.13898	6.1
491.20364	27.2
491.29974	87.5
492.30106	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	491.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03926	1.0
53.71904	0.4
54.48769	0.4
55.01849	1.0
55.05275	0.6
55.05506	8.0
57.03429	2.6
57.07055	0.9
65.03931	1.4
67.05141	0.7
67.05498	12.0
69.03419	0.8
69.06693	0.6
69.07059	10.8
69.64134	3.3
71.04974	1.7
71.08601	0.6
73.06582	0.5
79.05483	8.2
81.03424	3.1
81.07047	14.1
82.07402	0.5
83.04971	1.8
83.08611	6.0
85.02895	1.6
85.06527	0.9
91.05466	14.3
93.07034	8.5
95.04967	2.9
95.08595	12.5
97.06516	5.3
97.10153	4.8
98.20697	0.8
99.08088	0.7
105.07017	5.9
107.04953	1.2
107.08565	3.7
109.06504	1.0
109.10145	4.3
111.04419	0.4
111.08081	1.2
111.11688	1.2
117.07020	1.3
118.46219	0.4
119.04926	19.5
119.08580	3.6
121.06502	0.5
121.10130	4.2
123.08045	0.8
123.11675	1.9
125.09586	1.0
128.06166	0.6
129.05475	0.8
129.06944	1.2
131.08553	1.5
133.10092	3.7
135.11674	3.7
137.05968	0.6
137.09554	0.7
137.13219	0.9
143.08501	1.1
145.10103	1.1
147.04391	100.0
147.11661	3.0
148.04735	1.6
149.13280	1.1
151.11172	1.0
151.14839	0.6
153.12723	0.7
155.08589	0.5
157.10080	0.9
159.11720	0.7
161.13239	1.7
165.05466	13.7
165.09126	0.8
165.12619	0.8
171.07988	0.5
171.11671	1.2
175.14851	1.3
183.07971	0.5
193.12210	1.5
201.16672	0.5
207.08101	0.4
207.13750	1.1
211.13274	1.1
217.19534	2.0
221.08047	1.6
223.07454	0.5
225.08948	0.6
227.12766	0.7
235.20529	2.5
253.21681	0.7
263.24887	0.6
281.17435	0.7
297.25842	0.6
309.24191	1.7
313.99066	0.5
327.25272	16.0
380.19836	1.8
445.19693	0.6
473.19397	0.8
473.28918	1.5
491.20065	0.8
491.30243	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	491.2999
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.88512	2.7
53.03933	8.9
55.01849	7.8
55.05507	43.1
57.03417	12.4
57.07046	3.8
59.04982	5.2
65.03924	3.4
67.05492	77.1
69.07063	18.3
70.02266	14.5
71.04977	5.8
71.08611	4.0
73.06535	2.7
79.05479	93.9
80.06249	4.3
81.03410	42.2
81.07044	87.6
81.79259	2.6
83.04965	13.9
83.08599	23.7
85.02892	4.9
85.06519	4.7
91.05467	100.0
91.06039	4.9
93.07034	67.0
95.04965	30.9
95.08589	32.7
97.02852	3.9
97.06510	19.3
97.10135	17.2
99.08049	3.4
105.07019	57.0
107.04948	15.6
107.08579	25.8
108.05216	2.8
109.06506	10.8
109.10124	12.0
110.55969	3.0
111.08083	9.6
112.03147	2.8
115.05427	5.0
117.06995	24.2
119.04923	4.3
119.08561	38.2
121.06493	6.9
121.10117	15.8
123.08060	6.7
123.11662	18.5
125.09610	14.6
128.06201	5.8
129.07001	26.9
131.08548	22.4
133.06497	4.2
133.10124	23.7
135.08009	6.0
135.11690	9.0
141.07005	4.3
143.08549	16.4
145.10081	18.3
147.08049	7.1
147.11670	36.0
149.09518	4.2
149.13297	3.3
153.77893	2.8
155.08496	7.5
157.10121	9.3
159.08080	3.2
159.11684	5.1
161.09592	5.3
161.13211	9.3
163.11111	5.8
165.06969	3.6
165.12808	4.9
167.08551	3.7
169.10112	3.5
171.08096	4.0
171.11641	21.7
175.11143	4.4
177.12697	3.3
179.08437	3.1
179.14378	6.5
181.09950	4.0
183.07956	3.6
185.13234	6.0
187.07460	3.2
187.13341	6.8
189.08774	2.9
189.11176	5.0
189.12717	7.5
193.10406	4.6
193.12222	23.2
195.07982	3.4
203.82236	2.6
207.13773	18.2
209.09537	5.9
211.13269	13.4
218.46582	3.2
223.07295	3.1
227.12628	10.6
231.13780	5.6
233.09575	3.8
243.15927	8.4
247.11305	3.2
249.14885	9.1
251.10657	3.7
267.15866	26.5
269.08102	5.4
277.21619	4.3
281.17465	27.0
297.07315	3.6
305.17340	5.3
309.08142	2.8
351.25183	13.8
362.18594	4.1
363.23044	7.4
380.19772	27.9
381.24091	5.1
399.25113	8.9
417.26309	4.3
445.19962	5.4
455.27524	7.3
473.19345	8.5
473.28946	61.2
491.20837	6.2
491.29852	39.3
492.20474	3.9
493.56372	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	491.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67108	2.5
51.14898	2.6
51.26916	2.6
53.03933	6.2
55.01861	12.6
55.05504	40.7
57.03415	11.0
57.07063	6.6
59.05003	2.6
65.03921	3.7
67.05496	67.0
69.03403	8.4
69.07061	41.8
70.28131	12.6
71.04987	18.3
79.05484	77.6
79.58883	2.4
81.03407	24.2
81.07045	100.0
83.04966	12.9
83.08609	18.2
85.02875	8.0
85.06535	16.4
91.05470	41.9
93.07029	57.1
95.04964	31.1
95.08594	65.4
97.02898	3.2
97.06513	75.6
97.10139	28.6
99.08087	6.3
103.05457	3.0
105.07018	26.6
106.65987	2.2
107.04931	49.0
107.08580	30.6
107.09265	3.8
109.06478	21.7
109.10131	43.1
111.08073	4.5
111.11713	3.7
115.05450	4.5
116.06227	2.9
117.06998	14.4
119.08556	18.9
121.06482	35.0
121.10127	36.3
123.04431	3.1
123.08053	7.8
123.11692	17.1
125.05922	2.8
125.09592	14.2
129.06987	9.9
131.04877	5.9
131.08542	24.2
133.06479	7.4
133.10121	11.2
135.08035	15.0
135.11713	10.0
137.05942	7.4
137.09616	3.7
137.13266	3.9
139.11232	3.5
141.07036	4.3
143.08517	8.9
145.06506	14.3
145.10088	10.2
147.04424	5.7
147.08044	9.7
147.11676	6.2
149.09615	11.1
149.13268	9.2
151.07552	4.5
151.14827	3.6
153.07043	2.6
153.09151	5.7
155.08533	9.6
157.06480	6.2
157.10107	6.5
159.08055	7.7
159.11678	6.8
161.05994	3.8
161.09645	6.8
163.11174	7.6
165.09026	5.7
167.08580	3.7
167.10710	5.8
169.06488	3.3
169.10170	4.3
171.08044	6.3
171.11710	5.4
173.05931	4.3
173.09593	6.3
173.13219	8.1
179.08472	3.1
181.06511	4.6
181.10135	3.5
181.12297	2.9
183.08084	5.6
185.09647	4.2
188.08330	3.3
189.11214	8.4
191.14249	6.3
193.12294	8.2
195.08104	4.7
199.07573	5.8
199.13249	6.7
207.07910	3.9
209.09564	2.8
211.07542	5.9
213.09122	3.7
213.12764	3.6
219.11928	3.7
219.13693	14.8
223.07521	7.7
223.11166	3.2
223.13200	2.9
225.09113	5.4
231.13872	3.0
233.15398	4.4
237.14761	3.8
241.91394	2.6
243.49548	2.5
247.16946	3.6
249.14903	6.5
251.06940	3.3
251.10782	5.7
255.13873	3.5
257.15375	3.5
263.27377	3.1
273.14844	9.0
275.16376	9.4
275.27756	3.4
289.17905	3.5
293.28366	14.8
295.13168	3.7
297.07870	3.1
309.07581	5.4
311.29477	14.3
329.30542	5.6
335.09109	5.1
336.17236	8.0
339.23129	6.7
349.21613	9.9
352.20282	5.7
362.18887	4.7
367.15442	3.1
367.22687	33.3
379.11615	17.0
380.19800	47.0
385.23645	39.6
403.24896	10.5
417.20737	5.3
429.16928	3.3
435.27841	3.6
441.26334	7.5
445.19864	5.1
447.18201	6.5
455.18604	4.3
459.27338	72.8
460.27625	3.8
473.19498	16.3
473.29263	4.9
491.21124	22.3
491.30029	90.2
492.30200	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	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.5
55.01858	14.2
55.05502	44.9
56.12200	1.7
57.03423	9.7
57.07061	5.3
59.04980	3.4
61.66916	2.0
65.03922	2.8
67.05495	78.6
69.03416	13.7
69.07059	38.5
71.04985	20.0
71.08586	2.1
71.58719	3.2
75.35732	1.9
77.03936	2.6
79.05482	81.0
81.03407	19.9
81.07046	100.0
83.04974	14.0
83.08616	25.9
85.02876	6.9
85.06522	15.4
87.58641	1.9
91.05465	51.3
93.07034	68.8
95.04951	38.5
95.08588	61.2
95.74152	2.1
96.27895	1.7
97.02863	5.1
97.06516	94.1
97.09594	2.6
97.10158	29.7
99.04465	3.1
99.08064	5.1
103.05441	3.7
105.03358	1.9
105.04515	2.3
105.07013	34.6
107.04939	52.2
107.08582	34.6
109.02855	2.7
109.06483	25.1
109.10145	36.3
111.04425	4.5
111.08058	10.3
111.11698	5.4
113.09608	2.5
115.05458	4.8
117.07001	20.3
119.04887	2.0
119.08570	24.3
121.06488	39.6
121.10120	32.7
123.04427	4.8
123.08070	9.2
123.11674	19.9
125.09611	20.5
128.06198	3.9
129.06978	14.9
130.07758	1.9
131.04890	8.8
131.08543	26.3
133.06444	7.7
133.10112	15.2
135.04382	2.8
135.08031	14.6
135.11690	10.0
137.05962	5.4
137.09587	5.7
137.13234	3.5
139.11105	4.2
141.06961	7.7
142.07738	2.4
143.08539	10.2
145.06471	15.7
145.10121	20.4
147.04369	6.4
147.08072	9.4
147.11656	7.2
149.06038	2.7
149.09564	13.8
149.13208	7.0
151.07503	3.1
153.07019	3.2
153.09145	3.5
153.12685	3.4
155.08528	6.5
157.06505	5.4
157.10107	8.1
159.07993	10.6
159.11665	7.9
161.05936	3.5
161.09590	6.3
163.07562	3.5
163.11147	7.2
163.14784	4.0
165.06966	3.5
165.09065	9.8
165.12738	2.0
165.16309	3.5
167.03267	2.1
167.07086	3.8
167.08557	5.7
167.10655	8.0
169.06393	2.7
169.10081	4.8
171.07971	6.3
171.11679	4.6
173.05949	5.4
173.09656	5.1
173.13216	7.9
175.07570	4.1
175.11160	6.0
177.09088	2.7
177.12636	4.1
179.08446	3.2
179.17963	2.5
181.06448	8.1
181.10083	4.7
183.08032	8.5
185.05928	2.3
185.09584	5.4
185.13326	2.5
187.07553	2.5
187.11209	2.5
188.08345	3.4
189.11215	13.5
189.12622	2.7
191.10686	2.7
191.14287	8.9
193.10106	3.3
193.12199	7.8
195.08040	8.3
195.11662	3.0
195.13818	2.3
197.05899	3.9
197.09598	5.6
197.13292	3.4
199.11378	3.7
199.13283	11.6
201.12848	2.5
205.10385	2.2
205.12207	5.3
207.08038	3.2
209.09607	5.1
210.06750	3.2
211.07516	9.7
211.11278	2.9
211.13181	2.1
213.09117	5.1
213.12650	2.4
215.14301	4.3
219.13783	20.3
221.09636	4.1
221.11678	2.1
223.07516	6.9
223.11180	2.9
225.05510	2.8
225.09064	7.7
225.12804	2.6
227.12578	3.9
227.14517	3.4
231.13741	3.2
233.15376	6.7
235.07393	3.9
235.11211	2.4
237.12671	2.9
241.08441	2.8
241.12157	2.7
241.21500	2.5
245.15327	2.5
247.16829	4.1
249.14888	6.2
251.06828	2.6
251.10722	3.9
253.08632	3.7
255.13927	4.4
256.14584	4.3
257.15158	4.1
269.08008	4.1
271.16824	2.2
273.14722	8.3
275.16403	9.2
281.08136	3.0
283.05954	5.5
289.18155	2.8
293.28238	11.4
295.13223	2.1
307.09662	2.4
307.13251	6.2
308.17548	2.4
309.07703	2.6
309.14722	4.0
311.29486	11.1
321.14822	3.1
321.21594	2.2
329.10168	3.3
329.30545	2.5
331.20380	2.2
335.09067	3.7
336.16974	10.8
339.23132	5.6
349.21555	15.6
352.20197	7.1
357.24377	3.1
362.18719	5.5
367.22610	37.1
379.11591	17.7
380.19760	43.9
381.20282	4.1
385.23672	43.3
387.24893	2.8
399.25320	3.4
403.19553	3.2
403.24564	10.5
415.08673	2.4
417.20557	4.0
423.25436	2.6
441.26196	6.8
445.20114	5.3
447.17810	7.5
455.18359	3.6
459.27316	77.1
463.21033	7.2
473.19937	16.5
473.29288	9.6
491.14185	3.1
491.20352	28.4
491.29932	84.2
492.20773	2.7
509.21848	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	490.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	10.4
70.06573	5.6
70.94894	6.8
70.95239	5.2
79.05476	3.5
81.03394	3.8
81.07037	8.1
85.02895	21.0
87.00821	4.8
90.30085	3.3
91.05458	6.1
93.07031	4.6
95.04974	4.4
95.08597	4.1
97.02874	50.6
101.48329	3.2
105.07030	12.3
106.02896	9.4
106.33587	3.5
107.08576	3.9
107.48122	3.5
109.19772	3.2
119.08575	13.9
121.10101	3.5
123.11687	15.3
124.03945	14.8
127.03882	5.6
133.06447	6.6
145.10080	16.1
147.04391	12.6
147.11662	22.0
152.05641	15.3
156.09332	5.5
159.07939	6.6
162.83936	3.5
181.59335	3.1
189.12711	100.0
207.13811	25.0
220.05980	4.2
225.14865	4.7
261.07611	5.7
266.86478	4.1
315.13449	5.0
316.05151	5.9
316.14536	3.7
328.08109	13.3
490.20486	5.6
491.16159	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	491.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31371	5.0
54.80911	5.0
56.96561	23.8
57.03430	7.5
61.02871	5.6
65.51383	4.6
69.03400	19.9
70.06567	8.9
70.93754	11.1
70.94093	5.7
85.02900	27.5
87.04453	6.0
97.02888	38.1
98.97554	29.7
107.04945	4.8
115.03940	9.8
116.98605	18.0
119.01886	10.7
119.04933	6.1
127.03888	8.5
128.98575	12.2
131.04897	4.9
132.74438	4.7
134.91086	4.9
134.99643	14.4
136.06160	36.8
146.99637	10.8
147.04362	14.0
148.94286	7.4
150.05461	12.0
152.05670	11.2
153.02223	4.7
161.01152	7.4
162.99304	9.4
172.94321	7.0
174.97581	7.1
177.00854	24.3
177.05446	18.6
187.04486	5.6
189.00839	6.9
201.00801	17.2
203.02371	6.2
203.04097	6.3
205.00435	13.0
213.00880	11.4
215.02353	8.4
219.01956	50.7
221.04906	8.0
227.02380	13.9
229.00423	5.6
231.01913	18.4
232.96335	6.9
237.02757	19.8
243.01939	18.0
253.07524	5.6
255.01956	58.3
257.03418	10.9
261.03134	11.5
267.01840	14.1
271.01425	7.0
273.02985	39.1
285.02960	10.0
288.95581	6.5
297.03116	6.2
303.04053	31.9
310.60721	5.8
314.98465	5.6
335.06699	11.3
353.07700	6.5
400.85855	5.2
431.08817	100.0
432.08850	8.0
449.04404	7.7
449.09949	89.3
450.10175	7.2
472.11554	7.4
491.11050	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	491.1542
Annotation	Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
69.65199	1.8
93.09285	0.2
98.20622	0.2
118.81925	0.2
118.86131	0.2
119.01624	0.2
123.04395	0.2
139.07448	0.2
152.00751	0.2
153.01828	1.3
163.03864	0.9
167.07002	0.7
177.05449	0.3
178.02617	0.4
178.06213	3.1
179.03343	0.4
183.03043	0.2
216.04263	1.1
216.06058	0.2
217.04909	0.4
227.03381	0.3
228.04205	0.3
231.06425	0.7
241.04813	1.0
243.06422	0.5
244.03651	0.6
255.02850	6.5
256.03354	0.2
259.06003	1.5
269.04343	2.5
271.06052	0.3
272.03036	0.4
281.04379	0.4
283.02313	1.6
283.05939	0.6
284.03018	0.7
284.06534	0.5
285.03891	0.3
287.05469	7.2
297.03900	1.9
298.04901	0.3
299.05484	0.9
300.02606	2.4
311.05515	0.3
312.06384	1.2
313.07077	1.2
313.10245	0.2
315.04941	40.1
316.05438	1.1
329.06506	0.8
330.07288	18.2
331.07700	0.5
345.09631	100.0
346.10004	2.0
442.72626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85340	0.6
69.07029	0.7
70.81212	2.1
97.02897	1.2
111.48958	0.7
120.08137	0.8
132.08057	1.6
140.07062	1.0
148.07591	1.4
168.06519	1.0
171.59010	0.7
174.07846	3.2
175.08690	1.5
188.09346	1.0
198.09097	1.0
199.08650	1.6
200.09399	0.7
201.10249	3.6
213.10144	1.5
214.11018	0.7
215.11780	5.1
216.12466	0.8
225.10217	1.7
226.08842	0.8
226.11043	1.3
227.08334	0.9
227.11752	4.3
228.12448	0.8
229.09740	3.3
229.13216	3.3
233.43851	0.7
238.12265	1.0
239.11855	3.1
241.13420	1.4
242.10434	1.4
243.11287	2.7
244.12036	1.3
253.13385	1.6
255.11264	3.3
256.11908	0.7
257.12805	3.0
269.12878	2.7
269.28668	0.8
270.13492	1.0
271.14410	1.0
273.12314	1.9
281.12805	3.0
287.13815	5.2
288.14383	1.0
297.12323	1.8
298.13016	1.6
299.05661	0.7
299.13867	23.3
315.13342	16.7
316.14120	59.1
317.14700	1.5
329.10162	2.7
334.01160	0.7
386.20380	0.7
431.14514	2.5
463.16995	0.8
491.16544	100.0
492.16983	4.1
500.98380	0.7
517.63519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97508	0.3
52.27196	0.3
55.01856	0.7
61.52051	0.4
65.06276	0.4
69.07014	0.6
70.87038	1.1
72.16827	0.3
78.37594	0.3
94.06539	1.0
97.02847	0.7
103.90309	0.4
106.06506	0.3
107.07306	0.7
108.08090	0.4
119.07291	0.5
120.08053	1.1
121.08865	1.1
131.07263	0.4
132.08051	1.6
132.26282	0.4
134.05974	0.6
140.07022	1.4
146.05963	0.6
146.08307	0.5
148.07538	2.0
152.07025	0.5
162.05576	0.4
168.06512	1.6
174.07851	4.6
175.08636	1.4
176.06984	0.6
187.12250	0.9
188.09393	1.2
197.10475	0.5
198.09203	0.8
198.11333	0.5
199.08606	2.0
199.12221	0.4
200.09369	1.3
201.06526	0.5
201.10210	4.3
202.10858	0.4
209.10686	0.5
211.08649	1.1
213.10217	1.9
213.16150	0.4
214.10954	1.6
215.11787	6.7
216.12552	1.6
225.10156	1.7
226.10957	1.6
227.08086	1.8
227.11693	5.2
228.12495	0.7
229.09708	5.2
229.13243	3.0
238.12196	0.8
239.11768	4.3
241.09648	2.1
241.13373	1.0
241.72177	0.4
242.10345	1.9
243.11240	3.7
244.12054	1.5
251.11823	0.4
253.13251	3.1
255.11252	4.6
256.11960	1.1
257.12772	3.3
259.10901	0.5
269.12802	3.4
271.14337	0.8
273.12384	2.3
281.12851	4.2
283.10791	1.0
287.13858	8.0
288.14523	1.3
297.12186	3.9
298.13046	3.2
299.13852	32.2
300.14264	0.8
301.11765	0.6
315.13339	21.4
316.14114	72.8
317.14563	2.1
322.09171	0.7
411.89148	0.4
431.14084	1.8
447.21179	0.4
463.17160	1.5
473.15292	1.1
491.16528	100.0
492.16934	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	490.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
51.11253	0.2
55.05504	0.3
61.02919	0.4
64.69437	0.2
69.03416	1.6
70.06573	0.4
71.59200	0.5
72.08141	0.4
78.03445	1.7
79.05500	0.4
80.05008	0.4
81.03392	1.0
83.04960	0.3
84.08147	0.3
85.02914	1.7
86.09701	0.6
91.05465	0.4
95.04987	0.4
96.04496	0.7
97.02880	100.0
98.03209	1.0
99.04440	0.5
100.96822	0.3
106.02905	6.2
109.02853	0.4
111.04458	0.3
116.00229	0.2
117.06956	0.3
120.08067	0.5
121.83479	0.3
124.03938	12.5
124.07529	0.3
127.03914	0.8
131.04962	0.2
136.07547	0.4
137.02324	0.4
137.05965	0.9
138.22710	0.3
145.04964	0.3
147.04411	0.8
148.07593	0.3
149.06004	0.3
161.06024	0.4
161.20712	0.3
177.05460	1.1
178.05876	0.4
179.03316	0.4
196.06050	0.6
198.09329	0.2
201.10205	0.3
207.02861	0.7
215.11888	0.7
220.06023	24.1
221.06419	0.7
225.10300	0.4
227.11731	0.4
228.79311	0.3
235.02431	0.5
238.07062	5.8
240.94363	0.2
241.09729	0.4
243.11470	0.3
255.11302	1.3
256.08243	0.6
269.12933	0.5
287.05392	0.6
287.13791	0.4
297.12390	0.5
299.13843	2.2
315.13364	6.3
316.14108	5.2
328.07999	0.6
328.13742	1.3
400.12363	7.5
417.09164	0.4
430.15970	0.3
473.08694	0.4
490.13861	0.5
491.16504	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	490.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	3.0
58.34290	3.2
66.91673	2.4
69.03403	7.8
70.06576	3.3
70.73652	6.5
70.73981	2.4
75.47823	2.5
78.03454	2.9
81.03406	3.1
81.07053	3.2
85.02901	15.4
86.00325	2.5
87.00831	2.8
91.05474	3.8
95.04990	2.6
97.02254	5.3
97.02879	100.0
105.07023	8.3
106.02900	12.6
109.02882	3.2
119.04920	2.8
119.08567	5.6
123.11675	8.3
124.03927	17.1
127.03909	3.5
130.43660	2.7
131.08632	3.7
133.06523	4.6
141.28761	2.7
145.10110	9.2
147.04391	27.2
147.11658	9.3
152.05676	26.2
153.04018	3.7
159.08017	7.8
167.03407	9.7
171.11633	4.8
174.10327	2.9
187.07489	4.3
189.12733	52.9
207.13815	9.8
215.07063	4.7
220.06047	12.1
225.14796	4.9
261.07574	18.7
268.08167	2.9
279.08862	3.1
299.13046	2.7
316.14325	3.1
400.12469	3.4
491.16357	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	490.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07378	0.3
52.08249	0.2
55.05495	0.3
58.91936	0.3
59.16043	0.2
61.02920	0.4
62.75343	0.3
67.03521	0.3
69.03421	1.4
70.01853	0.3
70.06573	0.6
70.23003	0.7
70.23415	0.6
72.08147	0.3
73.02911	0.3
73.06555	0.4
78.03439	1.2
80.05008	0.5
80.39520	0.2
81.03407	1.0
83.04933	0.3
84.04491	0.5
84.08157	0.4
85.02889	1.2
93.07021	0.3
94.83532	0.3
95.04963	0.4
96.04485	1.0
97.02876	100.0
98.03221	1.2
99.04465	0.4
106.02901	6.4
106.03583	0.5
107.04950	0.4
109.02878	0.7
120.23888	0.2
121.02768	0.3
121.06490	0.5
123.04404	0.5
124.03927	11.1
127.03899	1.0
132.08089	0.4
136.07565	0.3
137.02289	0.3
137.05968	0.7
138.05452	0.3
140.07065	0.6
144.08066	0.3
145.04871	0.3
147.04408	1.3
148.07587	0.4
149.05936	0.3
157.42622	0.3
163.03957	0.3
168.06602	0.3
174.07906	0.4
177.05432	0.7
189.12714	0.3
191.07321	0.3
196.06026	0.5
199.08629	0.6
201.10408	0.4
203.62297	0.3
207.02908	0.5
213.10190	0.5
215.11804	1.1
220.06024	22.4
221.06470	0.4
225.10211	0.4
227.11809	0.7
229.09685	0.8
238.07034	4.4
239.11838	0.5
241.09773	0.4
242.10387	0.3
243.11314	0.7
253.13203	0.4
254.06604	0.5
255.11217	1.8
256.08261	0.6
268.08038	0.4
269.12857	0.5
280.08060	0.5
281.12949	0.8
287.05374	0.7
287.13916	0.7
297.12369	0.8
298.13028	0.3
299.13834	3.9
315.13330	10.3
316.10422	0.5
316.14075	7.9
316.17517	0.5
325.65024	0.3
328.08234	0.5
328.13885	1.6
393.17670	0.3
400.07050	0.5
400.12305	9.3
431.14420	0.4
473.08536	0.4
490.14334	0.9
491.16486	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67188	0.6
65.03914	1.1
67.05486	0.8
68.05008	0.8
69.03407	1.1
69.68405	2.6
69.68832	1.9
70.06563	1.5
72.08132	0.7
72.33875	0.5
76.52624	0.5
79.05470	0.9
81.03377	0.8
84.04487	0.6
84.08112	0.8
85.02901	1.4
86.09691	1.0
91.05464	6.0
92.28848	0.5
93.03342	0.7
93.41590	0.5
95.04958	1.0
95.08597	0.7
97.02879	21.1
97.06483	1.0
105.07027	0.5
110.54758	0.6
119.04932	20.1
121.02821	1.0
121.06487	1.2
123.04434	0.9
127.03883	1.4
129.07147	0.5
131.04919	1.1
137.05959	1.2
138.09123	0.6
141.06935	0.7
145.06499	0.6
147.04387	100.0
148.04742	2.5
159.04388	1.1
159.08081	2.7
161.13242	0.5
167.03392	1.8
169.06410	1.2
171.08031	0.6
177.05493	3.4
181.08670	1.3
185.05943	1.4
187.07491	1.6
197.05945	1.1
214.88138	0.6
215.06964	2.7
243.06502	8.4
261.07535	4.6
264.79184	0.7
279.08594	2.5
301.03568	0.7
315.13412	1.1
316.14258	0.7
327.55649	0.7
329.09988	0.6
331.07993	0.9
337.21063	0.5
417.09955	0.8
440.60938	0.6
490.14258	1.1
490.20877	2.1
491.16049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03919	3.0
55.01865	2.0
55.05499	21.3
57.03419	4.7
57.07064	3.1
57.96229	1.7
59.04991	2.5
67.05492	86.3
69.03403	1.7
69.07053	15.9
71.04975	3.8
76.05441	1.4
79.05479	31.0
81.07039	42.7
82.86584	1.6
83.08621	9.7
85.06532	2.8
91.05462	27.8
93.07028	41.3
95.04964	3.5
95.08588	31.5
97.06532	5.1
97.10139	6.2
105.07008	27.5
107.08576	21.1
109.10136	46.0
111.08043	2.5
117.07024	10.9
119.08558	27.1
121.06474	1.6
121.10107	15.6
123.08028	1.8
123.11701	4.3
125.09625	2.3
128.06158	1.9
129.06995	5.5
131.08551	19.9
133.10109	18.4
135.11671	9.6
137.13156	1.6
143.08556	6.9
145.06490	1.4
145.10091	17.0
145.63466	1.5
147.11636	11.1
149.13254	5.5
157.10136	6.7
159.11649	13.3
161.13254	11.1
163.11172	1.9
163.14822	1.7
169.10159	3.7
171.11649	6.5
173.11736	11.2
173.13278	9.6
175.14851	4.4
183.11688	4.9
184.49278	1.4
185.13290	5.8
187.14815	4.0
197.13278	4.5
199.14708	3.6
201.16350	1.7
202.68398	1.5
211.14784	2.7
213.16472	2.1
225.16530	1.5
241.19603	1.8
259.20306	2.0
261.22131	3.7
271.20566	2.6
285.22296	2.4
312.26233	1.5
377.27109	1.5
379.29950	8.3
397.31079	13.7
415.31784	3.4
433.32773	2.7
453.33548	1.8
471.34738	12.2
489.35690	100.0
490.36182	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03926	2.9
54.87918	0.9
55.01839	1.1
55.05505	16.6
56.18459	0.9
57.03411	4.3
57.07063	2.3
59.04979	2.6
65.03931	2.3
67.05496	77.9
69.03420	1.6
69.07063	10.6
69.97745	5.6
71.04968	2.9
79.05482	26.1
81.07044	37.0
83.04971	2.0
83.08605	8.4
84.76041	1.0
85.06528	3.3
91.05466	23.3
93.06441	1.9
93.07030	31.9
95.04963	5.1
95.08591	23.5
97.06513	1.9
97.10149	4.5
98.21387	1.0
99.08111	1.3
105.07019	20.0
107.08585	18.0
108.08902	1.1
109.06449	1.2
109.10143	44.1
111.08092	2.5
115.05401	1.4
117.07014	9.0
119.08566	27.5
121.10129	15.7
123.08065	1.3
123.11685	4.0
125.09578	1.0
129.07008	4.1
131.08543	16.6
132.43192	1.0
133.10103	18.5
135.11673	9.2
137.09610	2.4
139.11136	2.1
143.08578	5.6
145.10103	13.5
147.11638	10.5
149.13246	5.9
155.08507	1.4
155.10652	3.0
157.10126	3.7
159.11658	10.0
161.13225	6.1
169.10146	2.3
171.11688	4.3
173.11732	14.1
173.13284	8.8
175.14790	2.4
183.11768	2.5
185.13200	5.1
187.14828	3.7
189.16377	2.1
195.11690	1.8
197.13239	3.0
199.14845	2.5
201.16414	1.1
211.14763	2.9
213.14719	1.7
213.16490	1.7
225.16316	1.2
235.11877	1.0
239.17944	1.1
243.21074	1.2
247.20653	1.2
253.61296	1.0
259.20618	1.5
261.22141	4.2
271.20660	1.6
273.22086	1.8
285.22153	1.3
287.23621	1.0
299.23758	2.0
306.78922	0.9
315.23212	1.7
317.24698	1.9
338.32013	1.0
347.11401	0.9
359.25195	0.9
363.25266	1.2
377.26968	1.7
379.29916	9.0
391.28448	1.4
397.30908	12.5
415.31961	3.9
433.32870	2.1
471.34613	11.5
472.35556	1.1
489.35733	100.0
490.36008	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	489.357
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03936	3.1
55.01867	2.3
55.05507	13.1
57.03427	3.3
57.07063	3.0
58.28867	0.8
59.04992	2.3
65.03932	2.4
67.05496	68.1
69.03424	0.9
69.07059	10.4
70.36946	0.8
71.04984	3.9
79.05482	28.8
81.03422	0.8
81.07046	37.1
83.04951	1.2
83.08601	6.4
85.06535	2.6
91.05468	21.4
93.07033	31.5
95.04955	3.2
95.08594	22.1
97.06522	2.4
97.10175	2.4
105.07018	20.3
107.08577	15.3
109.06519	2.8
109.10145	38.2
111.08040	1.6
111.11704	1.2
117.06994	6.3
119.08571	22.9
121.06567	0.9
121.10136	15.7
123.08085	1.7
123.11697	2.7
125.09659	2.1
129.07010	3.5
131.08543	13.4
132.87036	0.9
133.10126	14.0
135.11679	8.6
137.09599	3.2
141.07007	1.2
143.08527	4.6
145.10110	15.1
147.11667	9.5
147.41043	0.9
149.09572	1.4
149.13290	3.8
155.08589	3.2
155.10591	2.1
157.10149	4.4
159.11688	7.4
161.13263	5.4
163.14783	1.5
169.10106	2.8
171.11681	4.0
173.11749	10.3
173.13280	7.3
175.14847	2.7
183.11699	3.0
185.13199	4.2
187.14764	4.4
197.13252	3.2
199.14832	2.3
201.16478	1.1
213.16444	1.9
227.18030	1.1
233.01161	1.0
243.21088	2.1
257.19000	1.1
259.20596	2.0
261.22122	3.5
271.20541	1.6
273.22083	1.0
283.24777	0.9
285.22272	2.0
289.21545	1.0
299.23666	2.0
313.25369	0.8
315.22867	1.2
317.24744	1.1
377.26883	1.9
379.29968	9.1
391.28308	1.8
397.31039	11.9
415.32257	4.1
433.33273	1.6
471.34790	12.3
472.33405	1.0
489.35748	100.0
490.35968	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	489.175
Annotation	Nortryptoquivalone
Peak:m/z	Relative Intensity
51.36258	0.6
55.05478	0.8
65.34934	0.6
67.05479	0.8
67.21503	0.7
69.03420	1.0
70.98965	1.7
79.05474	1.4
81.07037	1.2
87.16202	0.6
91.05463	1.8
93.07072	1.2
95.04958	1.2
95.08578	1.1
97.02893	1.0
97.06535	1.1
105.07020	1.2
107.04946	1.3
107.08531	0.7
107.15913	0.6
109.02834	0.8
110.00484	0.7
117.06940	0.6
119.04922	0.6
119.08569	1.1
129.07027	0.9
131.08546	1.2
133.06471	0.8
133.10081	0.7
136.05231	0.7
137.05977	1.3
143.08556	1.1
145.06422	0.9
147.04384	1.4
149.05981	1.9
151.03900	1.6
151.07532	1.8
153.05504	0.7
157.06461	0.7
161.05945	1.1
163.03903	2.1
165.05481	3.7
167.07040	2.2
168.07864	1.1
173.05927	1.0
175.07494	1.5
177.05453	2.1
177.09142	0.6
178.06212	8.4
179.06996	1.5
181.04977	1.2
181.08568	1.9
185.06129	0.7
187.07414	0.9
191.03490	0.7
191.07053	3.0
193.04886	1.5
195.06441	1.8
195.08023	0.9
197.09546	0.6
201.05450	1.2
203.07034	0.8
204.04065	0.7
205.04962	2.3
205.08446	0.9
207.06569	0.8
214.41115	0.6
235.07629	0.7
243.06400	0.8
251.03453	0.6
263.07104	0.9
265.08618	2.2
266.09100	0.7
269.04663	0.7
269.07712	0.7
279.06454	0.7
279.10318	0.7
281.08041	2.6
283.06094	1.7
283.09497	1.5
285.07465	1.2
293.08099	2.6
294.08875	0.8
295.09641	1.4
297.11310	1.0
307.06250	0.8
307.09683	2.0
308.10202	0.7
309.07538	2.6
309.10919	1.1
310.08340	1.4
311.05640	1.2
311.09033	2.9
311.12555	1.3
313.07343	0.7
313.10574	3.1
319.09613	0.7
321.07474	1.5
321.10995	0.9
323.05548	1.2
323.09143	1.6
323.12717	1.2
324.09756	1.8
325.07022	1.1
325.10666	3.9
326.11221	1.3
327.08548	1.1
327.12109	0.7
335.09171	2.4
337.07019	2.4
337.10815	0.9
339.04959	1.2
339.08612	0.8
339.12137	1.6
340.13007	1.1
341.06491	1.5
341.10162	4.0
341.13885	2.8
351.08563	0.8
351.12421	1.0
352.09253	0.8
353.10065	5.2
355.08002	1.2
355.11734	1.2
355.15472	1.2
356.12595	2.6
359.11432	0.8
363.08722	1.6
365.13974	0.9
367.04498	2.0
367.11789	1.7
368.12589	1.8
369.09576	4.3
369.13538	2.6
370.06778	1.0
371.11084	0.9
371.15097	0.9
379.08038	0.8
381.09415	1.6
383.07483	16.7
383.11044	1.2
383.15057	2.3
384.12048	2.3
385.12830	1.3
386.10031	1.6
387.10434	1.6
395.11371	1.5
396.12222	0.9
397.08957	2.3
397.13388	1.1
398.09793	3.0
399.14331	9.9
401.11533	0.9
406.10153	0.8
411.14316	2.2
412.11484	1.1
415.13846	10.6
415.18848	1.0
425.16150	1.2
427.13660	12.1
428.14502	0.9
439.13928	6.7
441.11789	1.0
443.16858	4.5
457.14999	0.7
471.16440	40.4
472.17010	1.7
489.17517	100.0
490.18005	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	489.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.05503	16.0
57.03419	5.8
57.07063	4.2
61.02903	4.7
65.03922	4.2
67.05496	33.4
68.99796	3.5
69.03425	8.0
69.07066	32.6
69.30406	33.3
70.06579	7.7
71.04986	7.8
72.08146	3.6
79.05488	23.9
81.03411	7.0
81.07047	100.0
83.08610	14.9
85.02885	24.7
85.06525	19.0
86.09681	4.1
87.00793	3.3
89.75505	2.8
90.05963	2.7
91.05473	15.4
93.07040	34.2
95.04951	11.1
95.08014	5.9
95.08592	82.9
96.08945	3.1
97.02859	12.8
97.06519	4.3
97.10127	10.5
98.21434	4.9
99.08074	20.4
103.03896	4.0
103.05424	3.4
105.07059	20.1
107.04956	7.4
107.08572	35.0
109.02866	4.3
109.06484	4.5
109.10142	62.0
111.08048	5.3
111.11707	6.1
113.09608	5.9
117.03419	3.0
117.06959	3.2
119.04911	4.0
119.06728	3.0
119.08567	9.2
121.06488	4.3
121.10136	32.2
123.04415	93.2
123.08060	4.7
123.11705	29.0
124.04767	3.7
125.09624	4.5
127.03877	7.4
129.06984	4.1
131.04959	3.3
131.08595	5.0
133.06461	4.5
133.10106	11.0
135.11688	24.2
136.07501	3.2
137.05942	17.6
137.13239	12.8
139.11176	4.0
145.10110	4.5
146.05867	3.0
147.04381	45.0
147.11685	10.4
149.05959	11.1
149.09637	3.3
149.12140	3.5
149.13255	34.5
151.03944	3.3
151.14830	6.8
154.06171	4.5
161.05951	6.7
161.13199	5.4
163.11159	3.2
163.14841	19.6
165.05246	2.8
165.16304	5.1
167.07028	10.4
167.08495	3.5
167.14282	4.6
173.05928	7.8
175.07475	4.7
175.14766	5.3
177.05441	9.4
177.16347	12.1
187.07506	4.4
189.05389	9.1
189.16267	4.0
191.14363	3.6
191.17921	6.9
198.11122	3.4
201.05437	4.2
203.17949	4.8
206.46359	2.9
209.19122	3.7
217.19545	6.8
230.05334	3.2
231.06300	3.9
251.06979	3.7
273.25702	13.0
279.26746	5.0
283.09659	10.5
285.11630	3.1
291.26721	29.7
306.90259	2.9
309.27731	15.1
325.10480	3.5
327.29047	5.0
345.09622	5.2
439.14124	4.7
470.80203	4.0
471.16995	4.1
489.11548	3.5
489.22961	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	489.175
Annotation	Egonol glucoside
Peak:m/z	Relative Intensity
62.77465	0.4
67.05389	0.7
69.03316	0.5
70.02384	1.4
70.02795	0.9
70.46038	0.4
79.05395	0.9
79.28466	0.4
79.80119	0.4
81.06942	0.5
85.06425	0.5
91.05315	2.4
92.57497	0.5
93.06931	0.8
95.04858	0.8
98.21394	0.6
103.05335	0.8
105.06854	1.5
107.04781	2.3
107.05568	0.8
109.45165	0.5
112.60911	0.4
115.05363	0.6
116.06182	0.5
117.06895	1.3
119.08404	2.3
121.02720	1.0
121.06322	1.5
125.05819	0.6
128.06082	0.5
129.06874	0.8
131.04771	0.7
131.08421	0.9
132.05595	0.6
133.06325	1.3
133.09943	1.3
135.04243	1.1
135.07945	0.6
136.05023	0.7
137.05823	0.5
139.03813	0.6
143.08438	0.9
145.06306	1.9
147.04271	1.0
147.07883	1.0
149.02139	0.5
149.05920	2.9
151.07552	3.5
153.05261	1.8
153.06384	0.5
154.06166	0.5
157.06345	0.7
159.04295	0.9
159.07899	0.9
161.05811	1.1
163.03897	3.3
163.07339	1.6
164.04475	0.7
165.01720	0.6
165.05310	1.9
167.07091	2.1
167.08188	0.6
168.07834	2.9
171.72963	0.5
173.05762	1.6
175.03769	1.1
175.07309	1.6
177.05472	2.1
177.08980	0.8
178.06250	8.9
178.07707	1.1
179.03194	1.0
179.07033	3.1
181.04803	0.6
181.08557	4.1
185.05878	0.6
187.07381	1.3
189.01711	0.6
189.05362	0.7
190.06210	0.6
191.03290	1.1
191.06976	6.0
193.04750	1.2
195.06317	2.0
201.05302	1.2
203.06830	1.1
205.04933	3.9
205.08592	2.1
206.05661	0.9
207.06335	0.7
209.05731	0.5
209.07822	1.4
213.05298	1.0
215.06795	1.3
217.41701	0.5
219.06300	1.3
223.03905	0.5
225.08873	0.5
226.09785	0.4
227.06888	0.8
231.06300	0.6
233.07855	1.5
237.05232	0.8
237.08940	0.8
239.06821	0.6
239.10710	0.5
241.04802	0.8
241.08278	0.6
243.06487	0.7
247.09547	0.6
249.08920	0.8
251.06813	2.0
253.08464	0.8
253.12032	0.5
255.06265	1.2
255.10133	1.1
255.12695	0.5
257.04193	0.9
258.05005	1.0
263.10596	1.0
264.07660	0.9
265.04761	0.5
265.08475	2.6
266.09213	0.5
267.06369	1.0
267.09967	0.7
269.07904	1.0
270.08682	0.8
271.05582	0.6
272.06705	0.9
273.07608	2.8
279.06329	1.5
279.09900	1.6
280.07150	0.6
281.04800	0.6
281.07870	2.3
281.11182	0.8
282.08725	0.7
283.05820	3.6
283.09393	2.8
284.06650	1.8
284.09805	0.5
285.07355	0.6
285.10828	0.6
293.07907	2.9
293.11230	1.0
294.08853	0.9
295.09488	2.1
295.13147	1.1
296.06583	1.0
296.09830	0.6
297.07568	0.8
297.10968	2.2
298.08087	1.9
305.07910	0.5
307.09534	2.2
308.10226	1.1
309.04132	0.6
309.07471	1.8
309.11063	3.0
309.14282	0.8
310.08237	0.7
311.05441	1.2
311.09070	12.4
311.12579	1.0
312.09665	0.6
312.13266	0.5
313.07156	0.9
313.10535	4.1
313.14105	0.8
315.08441	0.6
321.07379	1.7
322.11923	0.6
323.08990	1.6
323.12570	1.4
324.09656	0.6
325.06931	1.1
325.10535	6.2
325.14313	0.9
326.07623	0.9
326.11392	8.3
327.12024	1.0
327.15491	0.5
330.07306	0.6
335.09012	3.3
336.09888	0.5
337.06946	0.8
337.10641	1.6
338.11343	0.7
339.08505	2.0
339.12210	2.1
340.12894	1.3
341.06485	0.8
341.10019	4.0
341.13715	12.6
343.08005	1.2
343.11819	1.1
345.09552	0.6
347.07361	0.6
350.11255	2.2
351.08356	0.8
351.12424	2.3
352.09326	0.7
353.10107	3.3
353.13779	0.8
354.10767	1.0
355.07944	1.1
355.11761	0.9
355.15350	2.8
356.08658	0.9
357.09378	0.9
363.08408	1.2
365.13779	2.5
367.11481	1.2
367.15610	0.6
368.12570	2.7
369.09439	2.4
369.13373	14.2
370.13583	0.9
371.11166	1.0
381.09525	1.4
383.10953	1.4
383.15198	4.2
384.11777	1.5
385.12885	2.4
391.07877	0.8
393.13519	1.2
395.11008	1.8
396.12036	0.5
397.12723	1.3
399.14365	4.1
400.15091	1.1
411.14581	2.3
413.12094	1.7
415.18030	3.3
425.15927	3.6
427.13824	1.2
428.14774	1.1
439.13794	1.7
441.11743	1.9
443.16940	26.6
444.17316	1.1
453.15503	0.6
471.16452	73.6
472.16858	2.5
489.17511	100.0
490.18011	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1749
Annotation	Bipinnatin I
Peak:m/z	Relative Intensity
51.22786	1.4
52.83184	1.2
55.05494	2.3
57.03409	1.7
64.06300	1.3
67.05489	3.4
69.07053	3.1
79.05476	5.1
81.03414	3.1
81.07031	5.7
83.04966	1.4
85.02904	2.4
86.09705	1.4
91.05449	7.4
93.07050	3.3
95.04974	1.9
95.08578	3.4
97.02883	4.6
97.06519	1.7
98.21316	7.1
105.07008	3.1
107.04940	4.2
107.08593	2.2
109.02930	1.3
109.10119	2.4
115.05476	2.4
117.06987	3.0
119.04902	2.5
119.08569	4.1
121.02889	1.9
121.06494	1.9
121.10138	3.3
125.05982	1.9
127.03907	1.5
129.07004	1.9
129.25267	1.3
131.08546	1.9
133.06503	1.9
135.04420	2.3
135.11687	2.4
136.05205	1.9
137.05956	5.0
145.02840	1.5
145.06464	3.0
147.04398	4.9
149.05965	5.7
149.13147	2.1
151.07512	6.2
153.05408	2.8
159.07953	1.7
159.11620	1.5
161.05972	3.1
162.06720	1.4
163.03914	5.7
163.07529	1.7
165.06859	1.4
167.07028	5.3
168.07788	2.9
173.05968	2.2
175.03902	2.3
175.07545	2.0
177.05467	7.2
178.06247	17.2
179.07022	5.6
181.04967	2.2
181.08623	4.5
187.07457	2.0
189.05460	2.0
191.03380	3.3
191.06981	4.3
193.04919	3.5
195.06523	7.3
195.07991	1.5
201.05412	6.1
201.09032	1.6
205.04916	5.2
207.06433	4.7
217.04845	2.9
221.08116	3.1
229.25690	1.6
233.08113	1.5
239.06970	2.0
241.08630	2.1
253.08553	2.0
255.10144	1.5
265.08606	2.6
269.11838	1.9
279.82031	1.5
281.08182	3.6
283.06110	1.6
284.06595	1.8
293.08057	3.3
295.09628	1.6
297.07687	1.6
297.10907	2.9
307.09439	2.9
308.10379	1.5
309.07495	4.2
309.10947	3.3
310.08136	1.9
311.05679	1.7
311.09167	7.7
311.12302	1.8
313.10629	4.0
321.07672	2.6
323.09186	3.5
324.09747	2.4
325.07202	2.0
325.10663	5.6
326.11279	2.9
327.08295	1.5
327.11923	1.8
335.09244	3.4
337.07001	3.4
337.10803	4.0
339.08640	3.0
339.12109	3.9
340.09097	2.0
341.06488	1.5
341.10260	4.3
341.13794	4.5
349.06900	1.7
352.09482	1.5
353.10059	6.8
353.13794	1.9
355.08035	3.3
355.15543	2.3
361.08932	3.1
367.11996	3.0
369.09448	9.8
369.13605	10.9
381.09558	3.6
383.14804	5.4
384.11908	3.1
385.12503	1.8
396.11877	2.4
397.08878	5.0
397.13406	12.1
399.14420	10.9
401.12357	7.1
409.09018	4.7
411.14523	9.2
413.12186	3.9
425.15967	2.9
427.13806	37.1
428.14310	1.4
429.15381	5.1
439.13846	100.0
440.14175	4.3
443.17255	7.5
445.14700	3.9
445.45502	1.4
453.14938	2.7
457.15009	8.9
471.16513	62.2
489.12454	2.0
489.17661	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
54.01165	0.3
55.01864	0.6
55.05495	0.3
59.23994	0.3
64.26420	0.2
65.04764	0.2
67.05490	0.5
68.99776	1.1
69.03418	1.6
69.07047	0.4
70.71662	0.6
70.72032	0.6
70.94104	0.2
77.03951	0.3
79.05486	1.7
81.03405	3.3
81.07040	1.1
83.04922	0.4
85.02892	3.0
87.00813	0.9
91.05476	0.6
93.07024	0.8
95.04955	0.6
95.08584	0.4
97.02866	1.7
99.04430	0.6
103.05450	8.9
105.01846	1.0
105.03378	0.3
105.06990	0.7
107.04927	2.7
107.08572	0.6
109.02855	1.7
109.10130	0.5
111.04403	0.7
117.03362	1.3
119.08562	0.7
119.42038	0.3
120.85233	0.3
120.86156	0.3
121.06442	0.3
121.10139	0.6
127.03893	3.5
131.04909	23.4
132.05237	0.3
133.10103	1.4
135.04405	1.1
135.11720	0.3
137.02318	40.6
137.09579	0.8
138.02618	0.7
145.04947	0.9
145.10129	0.4
147.02785	0.3
149.09587	0.3
152.06221	0.7
153.06956	0.5
155.03380	4.1
155.08542	1.5
157.06419	0.6
159.02879	1.3
163.03876	2.9
165.06947	0.4
167.08501	1.9
171.07994	1.5
175.14745	0.4
177.06960	0.4
178.07719	0.5
179.10716	0.3
181.06456	0.5
195.08023	5.6
199.07520	1.0
213.03922	0.5
213.09085	0.8
213.12357	0.3
223.07532	3.2
226.06210	3.1
231.04916	0.4
241.08562	100.0
242.08965	2.5
259.20496	0.5
300.13281	0.3
348.71805	0.3
471.16132	1.2
489.17578	0.9
489.28607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03932	6.7
55.01859	6.6
55.05503	36.5
56.96568	4.3
57.03422	5.4
57.07066	3.8
61.02953	3.5
62.39699	2.9
65.03942	3.7
67.05497	80.3
69.03416	3.6
69.07061	41.0
69.07396	4.5
71.04990	8.4
71.19418	6.1
73.02909	4.0
79.05482	56.9
81.03429	7.9
81.07046	100.0
83.04976	12.8
83.08591	23.5
85.02882	6.0
85.06534	8.1
91.05470	78.1
93.07032	55.8
95.04963	15.8
95.08597	59.9
97.02886	3.3
97.06538	8.8
97.10180	11.6
99.08120	3.1
105.07017	81.7
107.04962	12.1
107.08590	41.4
109.06532	8.6
109.10133	24.8
111.08086	4.5
113.05954	2.8
115.05466	8.3
117.06997	29.3
119.04947	3.1
119.08569	59.9
121.06509	9.7
121.10128	38.3
123.08070	9.9
123.11689	22.5
125.09656	6.5
127.07541	4.6
128.06227	10.3
129.06982	26.4
131.04924	3.4
131.08556	46.9
133.06519	5.1
133.10091	38.4
135.08061	7.6
135.11717	12.2
141.07025	11.7
142.07761	7.0
143.08545	26.0
144.09335	3.0
145.06453	6.4
145.10112	44.2
147.08025	7.0
147.11668	52.2
149.09641	13.2
149.13269	3.0
151.07463	4.0
151.11298	3.3
155.08527	16.8
156.09435	2.9
157.10127	28.2
159.08041	8.6
159.11665	21.5
161.01263	2.8
161.09628	9.9
161.13310	7.7
163.11256	3.8
165.12749	23.0
168.09241	2.7
169.10100	23.4
171.08171	3.5
171.11670	22.3
173.09648	4.8
173.13329	10.7
175.11232	6.5
175.14793	3.4
181.10161	7.7
182.10643	3.3
183.11690	17.8
185.06087	5.0
185.09608	3.8
185.13268	17.0
187.11311	5.9
187.14864	5.2
189.11179	3.9
193.12347	3.3
195.11766	6.7
197.13286	10.7
199.07642	3.9
199.11180	4.6
199.14896	7.9
209.09637	2.7
209.13295	4.1
215.07045	2.9
220.60521	3.2
221.13214	3.8
225.16405	4.6
229.14342	4.7
231.02856	4.7
235.14925	5.4
239.10681	5.5
261.18597	5.1
267.09003	13.7
275.20053	13.8
285.10007	13.6
285.18378	3.9
299.20468	3.9
299.23761	3.9
301.21484	4.6
311.20062	4.6
313.21625	5.6
324.11563	4.9
327.23163	4.5
339.23410	3.1
395.15012	3.3
405.31750	3.5
413.15701	3.4
415.29861	7.1
433.30945	15.7
441.33920	3.5
451.31970	31.0
459.35068	4.0
469.33170	63.8
470.33746	6.2
487.19623	6.9
487.34277	94.9
488.34393	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	487.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
53.19764	1.7
55.01859	5.6
55.05248	2.1
55.05507	35.0
57.03430	5.3
59.98666	1.5
60.18451	1.5
65.03922	5.3
67.05495	84.2
69.03408	2.7
69.07058	18.9
71.04969	5.1
71.60113	1.8
71.60511	2.4
73.06535	3.9
77.03912	1.9
79.05483	100.0
81.03413	16.5
81.07044	72.0
83.04978	16.6
83.08606	12.2
85.06518	3.6
91.05468	94.6
92.05745	2.0
93.07034	81.8
95.04952	36.9
95.08598	44.5
97.02876	2.6
97.06534	10.9
97.10126	8.0
103.05447	2.2
105.04478	3.0
105.07023	59.8
105.07730	3.2
107.04939	9.0
107.08584	26.3
109.06508	8.9
109.10144	8.0
111.05663	1.6
111.08080	3.5
115.05451	5.0
117.07018	19.2
117.47800	1.6
119.08562	40.0
120.08816	1.9
121.06459	3.3
121.10103	12.4
123.08073	8.0
123.11643	2.6
125.09572	1.8
128.06224	5.5
129.06995	26.5
130.07755	1.5
131.08540	12.8
133.06505	2.6
133.10117	16.5
135.08014	3.1
135.11673	4.5
135.32639	1.7
137.06015	1.7
141.07018	3.3
142.07840	1.7
143.08551	16.7
145.06505	2.5
145.10129	16.6
147.08105	4.1
147.11668	43.0
149.09674	2.1
155.08531	3.1
156.09334	2.0
157.10114	3.2
159.11714	4.8
161.09622	7.0
161.13251	21.7
163.11182	2.9
169.10092	4.5
171.11665	36.7
173.06047	2.3
173.09697	1.9
173.13211	3.2
179.14293	7.2
181.10228	1.6
183.11702	2.1
185.13277	3.3
189.11205	2.3
189.12727	14.7
197.13219	2.6
199.07477	1.6
207.13779	38.1
224.91205	1.5
225.14824	10.5
239.10654	2.3
271.05954	2.1
275.19861	5.9
279.15796	2.1
281.17468	3.1
301.21619	2.6
369.13235	1.9
385.39865	2.4
390.19894	2.2
451.32050	5.2
469.23438	2.0
469.33652	9.6
487.19696	3.7
487.29831	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.0
55.05507	22.1
57.03419	11.1
57.07071	4.8
67.05496	32.5
67.13479	3.8
69.03437	19.5
69.07060	82.7
69.39056	39.3
69.75999	3.6
70.06567	4.8
71.04996	4.4
79.05485	25.1
81.03399	8.0
81.07044	95.5
81.07496	8.3
83.04960	4.6
83.08613	8.2
85.02890	26.1
85.06524	13.9
86.09718	8.2
87.34854	3.9
91.05449	21.9
93.07040	39.8
95.04939	7.5
95.08598	48.8
97.02877	67.2
97.06516	9.2
97.10162	17.4
99.08063	13.6
100.91467	3.7
105.07011	29.4
107.04971	6.4
107.08575	48.9
109.06544	4.7
109.10153	30.5
111.11705	15.5
113.09618	6.3
119.04880	4.7
119.08571	29.2
121.10132	28.4
123.11683	19.1
125.09613	7.5
127.03941	5.3
131.08519	14.0
133.02855	11.6
133.10106	21.9
135.11679	37.9
137.05956	96.6
137.09615	6.8
139.11157	16.2
145.06531	5.0
145.10103	6.3
147.04375	15.9
147.11659	15.3
149.13243	17.4
151.03897	9.1
153.12772	21.9
159.11674	18.0
161.05957	10.2
161.13249	7.9
163.14853	4.2
173.05959	12.2
173.13225	9.3
177.05408	5.9
181.06500	5.7
185.05969	12.8
186.03069	7.1
201.05446	75.8
205.06479	9.8
206.07298	7.1
207.06380	5.4
213.05533	5.4
218.07147	5.9
221.05910	5.1
223.07417	6.1
234.06766	19.9
235.07526	8.7
237.05399	8.8
237.08966	4.7
239.07030	5.0
245.06110	5.8
249.05365	5.3
249.09122	9.8
251.06992	7.0
257.04401	7.9
262.06229	24.7
263.07037	7.9
265.08563	13.8
266.09088	4.8
271.24139	5.5
272.04541	5.0
273.05380	5.5
277.08505	28.2
277.25183	6.7
278.08847	5.4
279.06552	5.4
283.05972	4.3
289.25137	15.3
290.05646	41.4
291.06506	5.7
293.07938	11.6
295.09665	7.4
297.07336	4.6
305.04593	6.2
305.08032	62.8
307.09470	11.1
307.26270	13.2
309.11057	4.0
319.09799	4.7
325.10733	39.6
325.27383	10.7
337.10611	100.0
338.10815	9.9
349.14206	7.7
355.11823	21.8
356.12045	5.1
377.13663	10.3
395.14825	8.7
421.12674	12.4
433.13034	8.0
451.13803	7.2
457.05585	16.5
487.09988	30.5
487.16006	16.8
488.16153	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	487.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.8
53.03937	8.8
55.01861	4.4
55.05502	25.8
57.03404	2.8
63.03879	0.7
63.79352	0.8
65.03947	4.5
67.05495	65.0
69.03389	2.1
69.07063	11.8
71.04982	1.2
73.06536	2.2
79.05482	100.0
81.03029	1.0
81.03411	11.4
81.07043	56.7
83.04507	1.2
83.04961	14.2
83.08607	7.1
85.02892	1.2
85.06516	3.6
91.05468	68.5
93.07030	67.5
94.07375	1.2
95.04958	32.1
95.08595	33.1
97.06526	7.4
97.10136	4.7
99.08090	1.0
103.05444	2.6
103.22994	0.8
105.04495	3.3
105.07015	54.0
107.04945	7.8
107.08576	23.7
109.06516	9.3
109.10123	5.6
111.08040	2.1
113.09679	1.0
115.05433	1.9
117.06998	12.8
119.08561	35.0
121.06468	3.5
121.10133	7.1
123.08051	10.2
125.09630	1.2
127.07487	2.2
128.06221	4.4
129.06987	22.6
131.08542	6.1
133.06448	2.0
133.10112	14.3
135.08017	1.2
135.11661	3.0
136.06242	0.8
141.06900	1.2
143.08525	12.9
145.06500	1.3
145.10115	14.0
147.07959	3.8
147.11667	47.1
150.38820	0.9
151.11111	0.9
155.08511	1.0
156.09232	1.1
159.11696	1.5
161.09578	5.0
161.13232	21.6
163.11160	2.5
165.09171	1.1
169.10069	1.3
171.10185	1.9
171.11662	39.7
172.11978	1.6
179.14229	5.0
189.12709	16.3
198.73125	0.8
207.13780	39.1
225.14810	8.8
245.04657	1.1
257.15222	1.0
263.16385	1.4
281.17517	4.8
310.19876	1.0
360.29285	0.9
377.24615	1.4
487.30359	41.7
488.30707	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	487.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01847	4.5
55.05505	74.4
57.03421	10.8
57.07049	5.2
61.43503	2.8
62.97287	2.8
65.03918	2.8
67.05483	35.5
69.03090	4.4
69.03419	36.6
69.07059	48.8
69.64938	11.7
69.65369	10.7
71.04960	4.2
77.20558	2.9
79.05482	21.1
81.03400	13.5
81.07043	62.0
83.04958	6.6
83.08591	9.6
85.02898	11.5
85.06521	17.6
85.88821	3.0
86.09680	4.7
89.03882	6.4
91.05476	37.5
93.07027	35.3
95.04936	9.1
95.08591	51.8
97.02879	82.8
97.06492	11.1
97.10153	100.0
98.03205	3.9
99.08070	9.0
101.06016	4.9
103.05434	5.8
105.03394	3.7
105.07012	22.7
107.04943	8.5
107.08593	26.9
109.02857	5.9
109.06480	10.8
109.10144	31.9
109.33279	3.2
111.08041	7.9
111.11704	7.6
115.05443	3.6
117.03376	6.8
117.07013	7.5
119.04912	15.6
119.08553	14.7
121.06463	4.6
121.10123	22.5
123.04375	6.5
123.08015	9.0
123.11691	21.9
125.06056	4.0
125.09618	30.5
127.03880	13.0
129.06941	3.9
130.04123	3.2
131.04924	5.4
131.08609	7.0
133.02826	54.2
133.10114	18.3
135.04424	6.4
135.11670	7.8
137.05952	55.6
137.09615	4.2
139.11131	14.5
143.10641	13.4
145.02835	18.1
145.06407	3.6
145.10136	5.7
147.04427	20.8
147.11647	11.5
149.05937	21.4
149.09627	6.6
149.13261	4.5
150.06671	7.2
151.03859	4.9
151.07512	8.2
151.14780	5.0
153.12694	4.0
157.10030	5.3
157.12161	4.3
158.03575	3.8
159.04356	6.0
159.11653	10.3
161.05933	9.9
161.13264	5.8
162.06665	4.2
163.03877	5.6
163.07558	7.2
163.14630	3.9
165.05467	9.0
165.12688	8.9
167.07066	4.2
169.06445	5.8
172.66289	3.4
173.05898	15.1
173.13203	4.9
175.03874	23.0
175.07462	3.3
177.05467	33.6
177.12729	6.1
178.06168	6.5
178.07635	3.5
179.06955	3.6
181.06520	3.4
185.05931	9.1
186.03110	6.0
187.07480	4.8
187.14766	4.4
189.11160	8.2
191.06969	5.8
191.14212	5.2
194.07228	3.6
199.07437	5.1
201.05438	61.3
205.06425	12.1
206.07256	3.3
207.06352	3.5
210.04852	3.3
213.05412	5.7
215.06987	5.1
219.06422	6.6
219.08261	4.2
221.05972	4.3
221.18994	5.0
222.06812	11.4
231.02817	9.9
233.05992	18.8
234.06696	8.7
235.07460	5.6
237.09053	12.8
239.07056	14.8
245.04338	6.6
249.05402	4.9
250.06155	12.8
251.07001	3.8
257.04398	10.9
261.05331	8.7
262.06064	7.7
264.07651	6.6
265.08545	22.6
266.08902	4.0
271.06042	6.9
273.13217	11.4
274.06061	3.6
275.23508	3.2
277.05057	5.5
277.08490	7.6
278.05539	5.5
283.05933	5.5
290.05807	9.0
292.07245	16.9
293.08118	23.6
294.08627	5.1
295.09445	3.9
297.11108	6.2
299.94772	3.8
301.12866	19.2
303.23135	8.9
305.07922	14.3
307.09595	37.3
310.08432	3.8
315.14313	12.6
321.24194	12.3
325.10657	93.8
326.11026	8.7
337.10754	25.0
341.13794	3.5
343.11966	4.1
351.12592	3.6
355.11761	14.6
369.13260	8.6
377.13873	5.1
381.13162	5.8
395.14673	4.3
409.12903	3.8
413.15729	4.7
415.13739	5.3
443.13538	7.3
451.26981	18.7
455.13126	5.1
469.14761	7.0
469.27988	27.7
487.09634	4.1
487.14896	19.0
487.21219	4.2
487.59631	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05496	2.0
55.82416	1.0
57.03444	0.9
62.43253	1.0
66.80584	0.9
67.05490	5.1
69.07072	2.5
71.59253	1.5
76.48550	1.0
77.44845	0.9
79.05486	4.9
81.03407	2.2
81.07039	4.2
83.04947	1.0
83.08616	1.6
85.02905	1.1
91.05473	13.9
93.07037	4.4
95.04942	1.7
95.08606	2.8
97.02883	1.7
97.06516	2.0
103.05457	2.2
105.07015	6.8
107.04959	1.9
107.08599	3.1
109.06465	1.0
109.10155	1.8
115.05443	33.7
115.06241	2.0
117.07022	5.3
119.08566	3.4
121.06488	0.8
121.10108	2.2
122.25699	0.8
123.04427	6.6
129.06979	3.5
131.04887	1.2
131.08559	2.3
133.06477	1.9
133.10124	2.5
135.11678	0.9
137.05974	4.3
141.06995	1.2
142.07967	0.8
143.08543	1.5
145.10074	0.9
145.80728	1.0
147.04358	1.0
147.11591	1.4
161.05986	13.9
169.13707	0.8
178.07771	2.6
179.08524	6.5
181.06439	1.8
185.06029	1.1
196.08897	2.6
199.07430	1.4
207.08038	1.7
208.08821	2.8
211.07356	1.3
211.11040	4.3
222.78850	0.9
223.07567	1.4
224.08305	6.6
231.02747	1.7
239.10643	100.0
240.10986	3.7
280.90741	1.1
395.14520	1.5
487.19284	2.7
487.30188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1232
Annotation	Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
55.05502	0.2
62.00182	0.1
65.03941	0.2
67.05497	0.1
68.99778	0.7
69.03406	0.3
69.07042	0.2
70.80186	0.1
70.80520	0.2
78.04928	0.1
79.05460	0.2
81.03395	0.4
81.07037	0.4
85.02886	0.2
85.06511	0.1
91.05437	0.3
92.25979	0.1
95.01313	0.1
97.02882	1.9
103.05437	0.8
105.03379	0.3
105.07003	0.2
107.08600	0.1
109.02859	0.2
109.10134	0.1
110.75044	0.1
111.04408	0.3
115.05406	0.1
117.03394	0.1
117.07034	0.1
119.04935	0.2
119.34299	0.1
121.03961	0.1
121.10180	0.1
127.03894	0.1
129.03349	2.1
131.04901	0.2
133.02844	0.8
135.11685	0.2
137.02328	2.9
137.05936	0.9
138.04526	0.1
141.07024	0.1
147.04391	0.3
149.05934	0.3
153.06963	0.5
153.12634	0.1
155.03363	1.1
155.08496	0.2
161.05862	0.2
163.03775	0.2
165.05515	0.2
165.06967	0.2
171.08041	0.2
175.03912	0.4
177.05440	0.2
183.08083	0.1
185.06001	0.2
186.03091	0.1
191.07112	0.1
191.81593	0.1
197.05920	0.1
201.05495	0.7
205.04904	0.3
205.06555	0.1
211.07538	0.3
213.05276	0.1
219.06349	0.2
233.05959	0.1
234.06773	0.1
234.92728	0.1
235.07576	0.2
239.06998	100.0
240.07332	2.1
249.05600	0.1
250.06274	0.2
251.06992	0.2
254.97552	0.1
257.04364	0.3
262.06171	0.2
277.08661	0.2
290.05774	0.3
292.07239	0.1
295.09473	0.1
305.08057	0.5
307.09659	0.1
323.09250	0.1
325.10730	0.6
337.10757	0.7
355.11624	0.4
377.13647	0.1
390.11172	0.1
395.15018	0.2
413.15771	0.1
487.11475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
57.03420	8.9
57.07076	27.6
67.05485	7.6
68.75653	2.7
69.07056	4.9
69.23492	30.4
71.08633	18.6
71.08961	3.5
81.07045	10.3
83.08602	4.7
85.10155	10.1
91.05440	2.9
95.08595	9.9
98.98433	7.9
104.43918	2.4
107.08634	2.9
109.10116	4.1
111.74879	2.3
115.63280	2.5
133.10136	3.0
139.49742	2.5
155.01067	5.4
159.11681	2.5
203.39792	2.5
215.46341	2.9
313.27353	100.0
314.27737	3.8
449.26639	3.5
485.32990	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	487.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59997	0.9
57.03422	1.2
61.02901	1.8
65.74924	0.8
69.03403	3.0
70.06558	1.2
70.71718	1.9
70.72113	2.5
72.35980	0.9
73.02882	1.1
79.05488	1.2
81.03381	1.1
83.04964	1.0
84.08141	1.1
85.02872	2.8
86.09706	2.1
91.05491	2.1
97.02880	7.9
103.03956	1.1
103.05437	2.6
105.03377	3.3
107.84503	0.9
115.05420	1.5
127.03883	1.1
129.03316	2.5
130.35849	0.9
131.04950	1.9
133.02847	2.4
137.05946	3.5
145.02882	1.7
147.04391	2.0
149.02350	4.7
150.05486	2.9
151.03877	2.2
152.06142	1.1
163.03874	1.3
167.03346	6.4
173.05984	1.7
175.03909	1.4
177.05463	2.8
178.38905	1.1
179.03346	2.1
185.04160	10.6
200.78757	1.0
201.05463	3.8
207.08066	1.0
210.06619	1.0
223.07510	15.4
224.08272	9.8
236.08188	1.2
237.09065	1.0
239.06956	3.0
247.07437	1.3
251.06995	54.7
252.07768	40.0
253.08461	4.2
254.40208	1.0
263.06995	22.3
263.09842	1.2
265.08575	19.4
275.06912	1.4
276.07886	3.3
277.08423	4.6
279.06418	4.6
281.08044	100.0
282.08344	3.1
291.06778	1.5
291.10144	12.1
293.08066	4.1
295.09598	1.5
305.08005	15.4
311.09091	5.8
319.09720	5.7
323.09027	2.6
324.02393	3.3
325.02985	5.4
329.07864	2.8
333.07880	1.6
335.09070	3.2
337.10733	1.5
347.09085	11.7
355.11774	1.8
365.10132	7.3
383.11118	2.6
401.12411	5.6
407.11200	15.4
425.07129	1.2
425.12317	11.9
443.13239	5.7
451.10477	6.6
469.11288	13.4
487.08356	49.7
487.13034	12.4
487.21906	3.9
488.08578	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	485.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
57.03413	0.9
57.07068	2.7
65.03916	1.0
67.05492	1.5
69.07046	1.0
69.53338	4.0
71.08639	1.0
74.87879	0.4
74.97804	0.4
78.04700	0.7
78.44061	0.4
79.05478	1.9
81.03397	1.1
81.07037	2.1
83.08609	0.9
85.10161	0.7
87.04460	0.5
89.06007	0.5
91.05468	52.7
92.05799	0.5
93.07023	1.2
95.08585	2.1
98.98434	0.6
103.05470	0.7
104.06237	4.3
105.07014	11.2
107.08590	1.0
109.10183	0.5
109.24237	0.4
111.08062	0.8
113.10652	0.4
117.07048	0.6
119.08530	0.7
123.08047	0.6
131.08536	1.8
133.10112	100.0
134.10432	1.7
135.11697	0.6
143.08568	0.9
145.10075	0.7
147.08025	3.0
147.11703	0.6
159.11572	0.9
165.62183	0.5
171.11652	0.5
200.15314	0.5
217.55484	0.6
256.41431	0.5
303.16309	0.5
313.27341	6.4
338.47125	0.5
366.58777	0.5
462.26599	0.5
467.31516	0.7
485.32864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01864	3.8
55.05502	1.7
61.02910	2.6
64.40564	1.1
65.03942	1.4
67.05484	4.8
68.99780	7.0
69.03420	2.0
69.07056	2.6
79.05488	6.4
81.03411	5.1
81.07037	9.1
82.07391	1.1
82.72658	1.0
83.05014	1.3
83.08595	1.4
85.02887	5.9
87.00841	1.8
91.05474	5.7
93.07022	3.7
95.04950	7.0
95.08578	1.2
97.02885	6.3
97.06508	3.4
98.06841	1.5
103.05456	4.8
105.03374	2.0
105.07013	3.8
107.04955	2.4
107.08577	3.2
109.02854	2.1
109.06500	4.7
109.10172	1.3
111.04450	1.7
115.05427	3.5
117.06994	3.4
119.04916	1.8
119.08551	2.4
121.06489	7.8
123.04417	100.0
125.09562	1.3
127.03904	1.9
128.06235	2.5
129.01810	3.7
129.06987	2.4
131.04945	2.3
131.08514	1.9
133.06470	3.2
133.10158	1.4
135.04384	2.2
135.08026	2.1
137.05960	75.2
141.07004	1.3
145.02837	3.1
145.06494	2.8
146.07219	1.6
147.04367	5.7
147.08031	3.3
148.05176	1.7
149.05960	32.4
149.09671	1.5
153.06926	1.3
157.06461	4.6
159.04364	2.7
159.08035	3.0
160.05165	8.5
161.05969	8.8
162.06779	2.7
163.03847	1.4
163.07571	11.7
169.06473	1.7
171.04388	2.0
171.07990	2.3
173.06013	5.5
174.06786	3.5
175.07506	10.5
177.05421	10.6
183.08070	1.8
185.05992	5.8
187.03893	1.8
187.07486	3.8
188.08295	1.2
189.05453	10.1
189.09090	6.4
190.05899	1.6
191.07062	2.1
199.07513	4.7
200.04727	1.3
201.05382	2.3
201.09109	2.6
203.07028	8.2
213.05426	3.7
213.09039	2.4
215.07014	3.9
217.05046	1.7
217.08534	8.3
219.06509	1.7
225.09096	1.9
227.07027	5.1
229.08582	2.4
230.05461	2.5
231.06506	17.2
231.10138	2.4
233.07988	2.5
241.08640	2.4
243.10106	1.4
245.08052	46.9
246.08292	1.5
249.07613	2.1
257.08176	2.6
259.09619	14.4
263.09076	1.9
271.09506	3.0
285.11148	4.6
299.09055	1.3
305.10089	3.2
335.07568	5.9
339.12268	3.3
342.14017	1.7
349.09186	8.0
353.13834	3.2
363.12357	5.7
368.15765	2.2
381.13293	40.8
386.17056	5.6
404.17746	7.2
414.16373	2.4
432.17300	1.7
485.14523	4.4
485.17667	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	485.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01862	2.2
57.27156	0.4
61.02921	2.0
65.03922	1.1
67.01891	0.5
67.05495	3.4
68.99784	8.1
69.03413	1.2
69.07053	0.5
69.92651	2.5
76.00826	0.4
79.05479	4.2
81.03414	3.7
81.07040	6.2
85.02901	4.5
87.00819	2.8
91.05463	4.9
93.07027	1.8
94.04164	0.7
95.04957	6.5
95.08573	0.5
97.02869	2.7
97.06542	0.8
98.21412	0.5
103.05453	3.9
105.03381	0.7
105.07013	3.6
105.20030	0.4
107.04932	2.9
107.08587	0.6
109.02855	1.0
109.06502	5.2
111.04555	0.5
115.05437	2.4
117.03342	0.5
117.07003	1.4
119.04897	1.5
119.08558	1.1
120.83382	0.4
121.02844	0.4
121.06493	8.4
123.04411	100.0
124.04690	0.5
128.06197	2.2
129.01802	2.5
129.06999	3.5
131.04916	2.3
131.08539	1.2
132.05692	1.3
133.06493	2.6
135.04419	1.7
135.08026	1.6
137.05954	67.6
138.06270	1.0
141.06978	1.7
143.04910	0.7
143.08501	1.0
144.05756	1.1
145.06454	3.5
146.07211	0.7
147.02942	1.0
147.04379	3.9
147.08026	3.0
148.05191	2.0
149.05963	30.8
150.06647	0.8
151.07504	1.2
153.06972	0.8
155.08499	0.9
157.06453	3.8
158.07233	0.8
159.03046	0.8
159.04384	3.2
159.08035	2.0
160.05177	9.0
161.05952	9.4
161.09564	1.2
162.06703	1.6
163.03935	2.5
163.06216	0.9
163.07520	11.2
165.05489	0.5
165.06923	0.6
167.03474	0.4
167.04826	0.6
169.06461	2.2
171.04372	2.0
171.08014	1.9
172.05116	0.6
173.05951	4.1
173.09666	0.8
174.06738	4.3
175.07536	10.9
177.05440	4.8
179.06984	1.0
181.06558	0.7
183.08006	0.8
184.05150	1.6
185.05946	5.9
186.06705	1.6
187.03830	1.0
187.07526	4.0
188.04626	0.6
189.03844	0.8
189.05443	10.1
189.09065	5.1
190.06277	0.4
191.07016	3.2
197.05925	1.1
198.06694	1.2
199.07553	4.1
201.05461	2.7
201.09006	1.1
202.06212	1.9
203.06990	6.1
203.10570	0.8
209.05980	0.5
211.07494	1.1
212.08116	0.4
213.05412	3.6
213.09009	1.6
214.06145	1.2
215.06989	4.5
215.10587	0.5
217.08553	10.0
218.09146	0.5
219.06438	2.1
225.09016	1.1
226.06126	0.7
227.07016	5.3
228.07677	0.8
229.08574	2.1
230.05643	0.8
231.06491	14.6
231.09962	3.3
233.08011	2.1
237.05273	0.5
239.06984	1.5
241.08456	2.6
243.10094	0.8
244.07387	0.6
245.08060	44.3
246.08340	1.2
247.09541	0.6
249.07518	1.6
253.08487	0.9
257.08011	1.7
259.09634	14.0
263.09070	1.8
271.09641	2.6
272.10431	0.5
285.11215	4.2
291.08459	0.5
297.11240	0.6
299.09064	2.2
301.10526	0.7
305.10013	1.4
309.11102	1.8
319.11646	0.9
323.12646	0.6
325.10660	0.5
325.14206	0.6
331.07983	1.1
335.07446	5.2
335.12549	1.4
337.10526	0.6
339.12244	3.8
349.09079	8.1
351.12054	0.7
353.13843	2.8
363.12192	6.3
381.13287	31.2
382.13553	1.0
386.16705	0.8
399.14120	0.9
404.17590	1.3
432.16531	0.5
467.12982	1.3
485.14255	8.1
486.14267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
57.03429	10.3
58.57747	1.1
59.04990	1.4
67.05490	14.1
67.94043	1.1
69.03419	21.0
69.07047	2.0
70.06560	2.4
70.95247	3.2
71.04984	4.3
80.23259	1.5
81.03396	1.6
85.02897	17.2
85.06534	22.9
85.11743	1.2
87.04449	14.5
93.06994	1.2
95.04958	36.7
97.02261	1.4
97.02877	21.8
98.13798	1.2
111.62990	1.2
113.05994	5.0
115.03912	21.9
116.98651	1.3
118.28880	1.1
122.78018	1.2
123.04406	1.8
127.03971	1.6
127.07542	16.6
133.04958	21.1
137.05939	1.6
141.05452	33.7
145.04939	2.9
145.31738	1.5
150.07599	8.1
155.07005	100.0
159.06520	2.5
161.05978	1.3
162.06396	1.3
167.07008	4.4
168.07362	2.0
169.04805	1.2
173.08066	52.0
180.08600	2.8
184.07387	2.0
201.14850	2.2
259.08035	1.4
312.13016	2.3
466.16843	8.8
467.18079	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	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59427	1.0
55.01859	1.6
57.03428	2.6
61.02914	2.1
62.46652	1.1
69.03419	8.1
69.07062	2.0
70.40623	4.2
70.40968	1.3
71.04980	1.3
73.02905	1.9
81.03407	4.5
84.71102	1.1
85.02886	18.0
91.03991	1.2
94.06559	4.1
97.02890	6.9
97.06526	1.4
99.04406	1.2
104.16222	1.2
105.05727	1.9
108.08105	4.1
109.02872	2.1
112.07599	4.3
118.06533	5.0
121.05244	2.0
122.06030	5.5
127.03933	3.7
136.07594	2.8
140.07051	1.5
145.04941	1.6
145.07616	9.0
146.05983	8.0
146.08360	3.9
148.07555	2.4
158.09605	1.4
164.07137	2.4
173.07082	64.6
174.07899	7.8
174.11519	2.0
175.12286	1.6
184.11180	2.1
188.35944	1.5
189.10194	8.9
196.09947	4.3
197.10738	2.0
201.10245	3.1
202.10896	6.9
203.11786	9.2
206.08414	7.8
211.12317	6.7
221.10687	4.8
223.08656	1.6
224.09477	3.2
227.08017	2.2
229.13326	5.0
230.11803	1.5
232.11949	2.1
237.10323	1.9
238.11076	3.3
239.11769	14.5
244.12088	11.8
247.14142	1.4
257.12827	22.9
258.11212	2.8
262.13116	3.7
267.11261	29.7
272.11404	2.4
275.13855	22.7
285.12305	45.8
286.10461	1.7
287.13757	1.3
290.12650	7.9
293.15018	3.2
303.13385	100.0
304.13708	2.6
321.14410	96.0
322.14600	2.5
410.84937	1.2
465.18494	2.0
483.19791	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	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52985	0.9
55.01859	1.5
57.03407	1.9
57.47054	0.9
61.02904	2.5
69.03426	7.2
71.02960	2.7
72.08126	1.1
81.03403	2.2
85.02903	11.7
94.06538	1.8
95.25317	0.9
97.02873	4.3
97.03430	0.9
99.04424	1.8
107.40854	1.1
109.02831	1.4
110.06004	1.1
112.07583	1.0
120.08077	1.1
122.06038	1.4
127.03886	2.1
132.07896	1.0
136.07597	1.0
145.07518	1.4
148.07576	1.1
169.09055	0.9
173.07068	4.4
174.07841	1.0
177.05431	0.9
181.08882	1.5
182.08214	1.4
182.09668	2.2
183.09123	1.2
184.11168	2.4
189.10214	6.2
194.09595	1.9
194.96597	0.9
195.09128	2.8
196.09932	8.9
197.10701	4.1
201.10228	1.6
202.10849	1.0
203.11719	1.7
206.08356	25.3
209.06987	1.3
209.10771	1.3
210.11478	2.3
211.08667	1.9
211.12251	11.4
220.09975	3.9
221.10760	9.7
223.08612	7.7
224.09373	10.8
225.10060	1.4
226.10950	1.5
227.08209	4.8
229.13278	1.5
237.10283	3.0
238.11026	5.9
239.08109	1.9
239.11775	27.4
241.09711	3.1
243.11188	1.4
244.11940	4.1
252.08865	1.9
254.10355	1.9
256.11987	1.3
257.12814	7.2
262.13162	1.9
267.11252	65.5
268.11734	1.6
272.11548	6.0
275.13864	4.1
285.12302	74.7
286.12573	2.3
290.12543	3.4
294.31244	1.0
303.13351	100.0
304.13770	2.2
321.14386	21.2
498.90454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	4.6
57.03416	2.1
58.99864	1.7
60.99659	1.7
63.40784	1.7
65.49462	1.6
69.03422	2.7
71.60032	2.8
71.60687	2.0
77.00892	2.0
81.03421	1.6
82.99846	2.6
85.02883	7.7
87.04472	2.0
94.06525	3.1
97.02876	5.9
98.97565	10.5
101.00858	14.5
103.02441	3.2
113.00846	4.2
115.02415	3.6
116.98609	4.7
117.04025	2.3
119.01898	43.1
127.02426	3.7
127.03845	2.2
128.98596	2.8
129.03960	1.7
131.01891	22.7
132.02028	2.6
133.03418	8.8
135.05002	2.4
137.02954	4.6
142.03517	2.0
143.01877	30.9
144.02007	1.8
145.03439	32.2
145.04671	2.2
145.04935	1.6
146.99590	3.5
147.01355	3.7
148.11710	2.0
149.02933	3.9
151.04486	2.5
155.01875	24.3
157.03430	19.6
158.99648	4.4
159.05051	2.4
161.02934	41.0
163.02647	1.7
163.04428	4.3
167.01871	10.7
169.03474	5.6
170.99699	2.1
171.01324	2.8
171.05057	3.1
173.02950	56.7
174.03030	4.2
175.04465	8.8
177.00685	1.9
177.02443	4.6
179.01920	4.3
181.03433	2.0
183.05020	3.2
185.01268	3.7
185.02927	71.0
186.03098	3.0
187.02611	3.2
187.04489	9.9
189.00763	3.0
189.02412	8.5
189.06081	2.2
191.03825	2.8
197.02934	21.6
199.04448	2.8
201.00740	3.6
201.02411	38.9
203.04004	48.6
205.03709	4.1
207.03439	3.9
209.02975	3.1
213.02481	11.2
215.03963	23.4
219.01727	6.1
219.03484	90.4
220.03670	3.5
221.05022	4.9
224.03955	2.4
226.05750	2.4
227.03960	13.9
229.05542	3.6
231.03442	25.0
233.04990	5.3
235.06618	4.9
237.02505	3.7
237.04626	4.0
243.03470	6.2
245.05038	100.0
246.05309	4.6
249.04640	10.7
253.04944	2.3
253.07599	3.7
255.03334	9.2
257.05112	4.9
261.04688	15.1
263.06030	13.6
273.04477	15.7
275.06079	38.4
276.06232	3.6
277.05701	3.2
279.05637	5.0
285.04553	5.3
291.05435	5.6
293.07101	4.5
295.08463	3.3
303.05695	32.5
305.07059	8.2
321.06650	27.9
321.10034	3.6
322.06824	1.8
335.08133	4.4
338.09985	2.5
349.09827	4.5
363.07678	32.6
364.07733	4.7
365.09100	7.5
483.10455	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	483.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09035	0.7
52.87520	0.8
53.03939	1.1
56.32415	0.7
56.53735	0.7
57.03432	1.9
61.02899	2.3
69.03419	8.5
70.06570	1.1
70.87968	2.9
71.66276	0.7
71.82874	0.7
73.02895	0.9
81.03397	2.9
84.04456	0.8
85.02898	13.5
85.06551	1.3
87.04436	2.0
87.65936	1.0
91.03930	0.9
91.35558	0.7
94.06557	0.9
97.02892	5.6
98.97565	1.4
99.04437	1.2
108.08118	2.0
109.02873	1.3
111.04429	3.5
119.29573	0.7
120.08091	3.8
122.05957	1.0
127.03881	2.5
136.07585	2.4
137.05963	1.3
138.05521	1.1
145.02760	0.9
145.07558	1.6
146.08372	3.5
147.09138	3.5
148.07591	2.4
158.99652	1.0
166.08694	0.8
170.09608	1.1
173.07091	1.8
174.07878	12.4
175.08640	7.4
177.05443	1.6
183.09142	1.5
189.06554	1.1
189.10211	2.4
194.09692	1.0
195.09070	1.2
196.09813	4.5
197.10733	2.9
198.11505	1.1
199.08691	1.0
201.10248	1.3
203.08112	1.7
204.08905	8.1
206.08371	11.7
209.07196	1.1
209.10658	1.3
210.11523	1.2
211.08562	1.9
211.12317	5.8
212.09352	1.1
213.10214	2.5
215.11751	1.3
217.09750	8.0
220.09921	3.0
221.10664	5.4
223.08667	3.2
224.09372	4.6
225.10271	1.4
226.11107	0.9
227.08218	2.1
227.11841	3.2
228.12675	1.7
235.10529	0.9
236.91298	0.9
237.10312	1.1
238.10999	3.2
239.08139	1.1
239.11777	18.7
241.09711	3.6
242.10292	0.9
242.65561	0.9
243.11397	1.9
245.12886	1.4
246.13562	1.3
250.30466	0.9
254.10582	2.0
256.11874	0.9
257.09222	0.8
257.10016	1.0
257.12833	10.3
267.11249	32.0
271.10791	4.5
272.11548	14.4
273.12292	3.0
275.13849	7.2
285.12311	37.0
290.12598	11.6
303.13367	65.3
304.13693	1.5
305.15002	1.4
321.14410	100.0
322.14774	1.3
349.45651	0.9
455.20389	1.3
465.19141	1.4
483.13702	1.4
483.19803	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05513	9.9
55.48120	2.0
57.03437	6.4
59.61131	1.9
61.02925	3.5
67.05495	8.9
69.03430	10.7
69.07081	3.0
69.38297	14.1
69.38723	6.5
70.06597	2.8
71.04981	4.9
73.02930	1.8
79.05487	6.5
81.03407	39.3
81.07050	18.9
83.04951	4.9
83.08613	9.5
84.08125	2.5
85.02901	20.0
85.58636	2.1
87.04456	4.9
91.05463	9.2
93.07039	9.4
95.04955	13.8
95.08585	3.8
97.02872	14.1
97.06526	6.7
98.20742	3.4
105.07019	8.6
107.04944	3.5
107.08606	8.0
109.06496	2.4
111.08075	3.5
115.03935	9.0
119.08554	10.5
121.10150	4.0
127.03909	3.5
129.06973	3.9
131.08554	4.2
133.04919	10.7
133.10121	5.1
135.11673	9.3
137.05981	7.4
147.11688	10.7
153.11531	2.0
153.12724	51.5
157.10147	11.2
163.33105	2.1
165.12727	2.4
167.07100	2.9
175.11226	9.0
177.05469	3.1
179.07027	2.3
193.12202	35.9
198.10594	2.2
211.13284	29.9
267.15887	14.9
285.16943	100.0
304.05267	2.8
309.26376	2.5
321.09659	8.7
482.20642	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	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42973	2.4
55.05495	4.3
56.91975	2.3
57.03413	8.9
61.02911	3.5
67.05489	12.4
69.07052	2.8
70.06577	5.4
71.04967	2.4
79.05507	10.9
81.03406	34.3
81.07018	13.7
83.04964	9.5
83.08590	10.0
85.02892	13.7
86.09665	3.6
91.05483	15.5
93.07033	7.9
95.04953	13.8
95.08603	5.7
97.02859	4.9
97.10124	2.3
105.07014	9.3
107.04926	2.9
107.08554	4.7
109.06500	5.9
111.08040	6.2
119.08561	6.3
120.08122	3.3
121.10104	3.7
127.03845	2.3
129.06975	6.0
131.08534	5.8
133.10104	5.1
135.04752	2.4
137.05949	4.6
145.10149	2.4
147.04434	3.9
147.11642	8.9
149.09564	2.7
157.10103	7.1
175.11166	6.7
193.12241	25.3
195.32047	2.6
200.38075	2.2
206.08162	2.8
211.13220	22.3
267.15897	9.4
285.16913	100.0
286.17538	3.8
329.02896	4.0
348.14337	3.3
392.22055	4.5
464.20483	7.2
482.16251	9.1
482.22241	26.5
483.22073	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	482.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.4
59.02670	0.6
69.80644	1.6
69.81062	2.1
73.77543	0.6
77.71761	0.6
98.20798	1.2
98.97566	5.3
116.98615	5.3
122.17911	0.6
132.96509	0.8
134.99631	4.0
150.61859	0.6
169.59959	0.6
174.97601	3.6
192.98694	4.4
198.97644	0.7
208.96570	0.7
212.92609	0.7
214.95573	1.7
216.98669	2.8
232.96657	13.2
233.96690	0.8
234.99820	7.4
235.99887	0.6
236.99797	0.7
238.95607	1.0
240.98862	1.1
241.25600	0.6
250.97728	17.3
251.97809	1.3
253.01036	1.0
256.96664	14.6
258.99881	9.5
260.00034	2.2
260.99725	2.5
261.02744	1.1
274.97711	59.4
275.97763	4.2
276.98163	1.0
277.00974	13.3
278.01132	2.1
279.00900	3.1
280.96820	2.6
282.99945	15.2
284.00055	2.5
284.99820	2.5
292.98734	13.5
293.98950	0.8
297.99304	1.2
298.97702	50.0
299.97861	2.9
300.02637	0.8
301.00998	29.2
302.01126	5.8
303.00812	4.4
304.00876	1.0
314.95837	0.9
316.98764	100.0
317.98947	6.0
318.98615	1.8
319.02179	2.3
324.02533	1.0
332.96829	1.3
334.99887	4.0
340.00348	7.0
340.98502	1.3
356.96863	1.7
358.99905	7.4
360.00098	1.4
360.99982	1.2
364.99033	0.7
374.98016	2.9
383.00012	1.0
398.97803	3.2
401.01096	6.3
402.01385	2.9
403.00906	1.6
416.98862	10.7
422.97650	5.2
425.00986	5.3
426.01151	1.2
427.00891	1.3
434.99783	0.8
440.00833	1.1
440.98773	51.2
441.98877	3.6
443.02243	13.7
444.02069	2.2
445.02142	3.1
458.99866	71.8
459.99939	4.9
461.00439	1.0
466.03699	1.3
473.01370	0.9
477.00769	1.1
482.01465	10.4
483.01483	11.5
484.00705	1.2
501.02573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05499	6.0
57.03435	6.1
61.02898	3.5
67.05499	14.7
69.03423	2.4
69.07067	12.0
70.06585	11.0
71.59241	3.3
79.05500	10.6
81.07048	44.2
83.04962	5.5
83.08601	3.7
84.66934	2.2
85.02906	4.2
85.06554	1.8
86.78984	2.2
91.05477	15.3
93.07032	8.0
95.04945	6.7
95.08591	9.6
97.02876	3.4
97.06513	34.6
99.08084	3.8
105.07010	23.0
107.08585	7.5
109.06503	7.9
113.06026	2.5
117.07020	2.3
119.04930	2.2
119.08553	21.6
121.10133	11.5
123.04412	17.8
123.08057	3.0
123.11686	21.7
127.03893	3.0
129.07011	2.4
131.08525	2.0
133.10106	3.8
137.06035	3.0
141.09264	1.8
147.04382	2.6
147.10605	3.7
147.11678	51.5
149.02310	1.9
149.05983	4.7
152.04674	2.6
153.05411	8.3
157.10106	2.9
163.04004	1.9
165.12730	24.7
167.07018	20.0
168.86787	2.1
175.11258	3.4
177.05502	2.9
181.08670	3.4
183.13747	4.4
193.12254	3.3
212.14250	4.7
213.05457	2.6
215.06937	2.1
228.17435	29.8
229.14401	7.3
236.02730	2.0
241.08592	4.3
267.15894	52.5
278.32776	2.0
285.16925	100.0
303.12149	5.3
339.08435	2.3
379.11835	2.3
383.14636	12.1
391.13562	2.5
401.15854	2.5
420.21579	2.5
424.07327	2.4
429.15369	7.9
447.16391	3.4
452.06808	5.3
454.15060	10.3
482.11581	30.8
482.21875	18.7
483.12378	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	482.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51320	0.3
56.05017	1.4
56.05264	0.3
57.97164	0.3
69.30473	2.7
69.30888	0.9
79.05472	0.4
80.05016	1.9
88.88425	0.3
91.05481	0.3
93.05788	0.3
94.06551	0.6
95.04971	0.4
95.07354	0.7
96.08110	2.1
97.06538	0.8
100.07600	1.1
106.06556	0.3
107.04947	0.4
108.08089	1.8
122.06026	0.6
124.07583	5.8
126.09145	0.3
135.04378	0.5
138.09143	1.4
139.09906	2.7
140.10672	0.6
144.92386	0.3
147.04350	0.3
151.07520	0.8
153.05499	0.4
161.05922	0.4
163.03899	0.4
166.08656	1.3
167.07063	0.5
177.05447	0.9
178.06203	0.8
181.08598	0.7
191.03442	0.5
191.06979	0.8
195.06525	0.6
213.05322	0.4
214.05051	0.4
214.08609	0.5
218.04440	0.4
225.05426	0.3
226.08476	0.3
241.04953	0.8
242.08171	1.1
245.06906	0.4
246.07750	0.3
255.06450	0.4
258.07648	0.4
260.09152	1.3
268.03641	0.6
269.04352	0.5
270.07513	0.5
284.06766	1.1
285.03815	0.4
288.08615	0.7
312.06219	8.9
315.08774	0.6
327.05020	0.4
328.05713	0.6
339.04895	0.4
343.08069	1.7
347.08670	0.5
349.06882	0.4
353.06558	0.7
363.08463	0.6
364.08545	0.4
368.08597	0.6
375.07224	0.4
376.08212	0.4
381.09589	0.9
383.11197	0.7
389.08923	0.4
390.09897	1.4
391.08023	0.7
392.07104	0.4
392.11624	0.5
393.08807	0.5
396.11682	0.5
402.09583	0.5
404.11246	1.1
405.12372	0.4
406.13489	1.6
408.11020	1.0
416.11081	1.0
418.08279	0.5
418.13187	0.6
419.09586	0.7
420.14630	0.7
421.12143	0.6
422.12350	1.4
424.13632	1.0
431.13550	0.4
432.14362	0.7
434.12265	7.4
436.13748	1.5
438.16061	0.7
439.13916	0.8
448.13776	0.4
449.14700	3.7
450.15222	1.3
452.13358	8.5
464.16846	1.2
466.14932	0.9
467.15536	0.5
482.18048	100.0
483.18347	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	482.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05487	1.0
61.02897	2.7
65.03927	1.4
67.05482	2.3
69.03407	2.6
70.06567	1.4
71.58416	1.3
71.87321	0.9
73.02904	1.1
79.05465	3.2
81.03379	2.7
81.04499	1.6
81.07027	1.4
83.04962	1.4
84.08119	2.2
85.02891	2.2
88.03951	2.8
91.05458	4.2
93.03363	0.8
93.07018	2.5
94.04160	3.8
95.04942	2.1
95.08589	1.0
97.02867	3.4
103.05447	3.3
105.07023	1.3
107.04923	2.6
107.08578	2.4
107.28327	1.0
109.06474	1.3
111.04446	1.6
115.05413	2.2
117.07005	1.4
119.04939	1.5
119.08526	1.3
120.01112	1.3
122.03654	6.8
123.04392	3.9
124.03955	1.3
125.05950	1.8
127.03884	1.6
128.06172	1.7
129.06987	2.8
131.04901	5.8
131.08514	2.3
134.05962	1.2
135.02660	1.3
135.08055	1.3
135.11649	0.9
137.02312	2.0
137.05957	100.0
138.06305	2.3
138.09207	1.1
139.02036	1.2
141.03629	2.1
141.06969	1.7
143.08546	1.1
145.06500	5.3
147.02631	0.9
147.04419	1.6
147.08008	1.3
149.00514	1.1
149.05986	1.8
150.03723	1.2
151.07513	7.0
152.07024	1.6
154.00839	1.7
154.31357	1.0
156.05695	1.0
157.06448	3.0
158.07230	1.7
159.08000	3.2
160.05226	1.6
161.04442	1.6
161.05949	14.6
162.06654	3.0
163.02069	5.0
163.07539	8.4
164.04208	0.9
165.03645	2.6
165.09158	1.0
169.03165	41.4
170.03471	0.9
171.08035	1.2
173.04187	1.1
173.05957	3.6
174.06671	2.0
175.07516	7.8
177.03741	1.1
177.09116	2.1
178.00768	2.2
178.03174	4.5
180.02367	1.4
181.03088	1.2
183.04707	2.5
185.02629	3.4
187.05983	1.3
187.07521	9.5
188.08308	7.8
189.03651	5.3
189.09070	6.1
190.09883	2.0
191.03305	2.5
191.06908	1.2
192.03795	1.0
193.03175	13.9
195.04738	10.8
199.85298	0.9
200.08351	1.3
201.03668	1.9
201.09032	2.7
203.05199	1.3
203.10558	1.9
206.03932	0.9
207.04630	2.3
207.10036	1.4
209.02528	2.0
209.06242	1.8
211.07616	1.1
213.09047	4.2
215.10524	1.3
219.04651	2.0
221.06256	6.0
221.09566	1.0
223.04239	1.2
224.03703	2.2
225.03821	1.1
229.03134	1.8
229.13359	1.2
230.13730	1.2
231.04871	1.6
231.10178	1.1
233.06258	2.5
239.07216	1.9
247.07631	1.5
249.09239	1.2
251.07246	3.7
251.10770	0.9
259.04233	1.7
260.08014	1.0
265.06729	2.4
267.04556	1.1
276.07913	1.1
277.08716	2.6
281.06177	1.1
283.04248	1.6
283.07767	1.4
285.05963	1.6
285.09158	1.2
289.05252	1.1
292.10782	1.5
297.05649	1.3
297.09158	1.3
309.11166	1.5
310.11050	1.7
311.07278	10.8
315.10489	2.1
319.04544	6.1
320.01328	1.6
320.04800	17.5
321.05087	1.5
324.13449	3.4
325.08865	3.0
342.14636	4.4
343.09894	12.1
350.14972	2.8
351.10464	3.3
357.11469	5.9
361.10922	1.7
369.11282	1.6
375.12524	11.9
383.13092	18.2
384.13263	1.3
393.13443	3.1
401.14178	19.7
402.14609	1.6
410.70779	1.0
411.12531	3.1
429.13339	6.1
464.17267	7.6
465.17389	1.2
482.18262	7.8
497.64505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.9
57.03426	4.5
67.05491	1.8
68.99786	2.8
69.03413	1.8
70.06596	2.1
71.55274	1.7
81.03405	4.3
81.91464	1.6
84.04517	2.1
84.08112	1.8
85.02879	10.4
91.05498	1.6
93.37030	1.5
94.04176	3.4
94.67600	1.5
95.04961	2.2
97.02906	2.5
103.03917	5.0
107.04932	2.4
109.02884	3.0
111.04455	1.7
119.04925	2.2
119.65257	1.5
120.08135	2.1
121.02847	12.7
122.03658	4.6
123.04394	3.8
125.06021	2.1
127.03899	2.0
133.02899	2.9
135.04410	5.6
137.05963	100.0
138.06262	2.2
139.03906	6.1
145.02866	2.9
147.04417	3.8
149.05992	3.6
151.03925	4.7
153.01860	3.9
161.02370	7.5
162.05312	1.7
163.03902	5.0
165.01799	28.1
165.05537	2.0
173.02321	9.1
175.03873	2.8
177.01833	14.9
179.03348	2.4
181.06407	2.5
183.02872	19.8
189.01801	5.0
191.03387	10.8
193.05005	2.2
195.02870	40.9
199.03929	2.0
203.03329	2.7
205.04919	4.2
207.02898	3.4
213.09200	1.8
215.03302	2.3
217.04939	3.6
219.02882	22.8
225.05637	1.9
231.02847	9.9
233.04431	11.2
237.03722	2.9
243.02785	2.5
243.06500	2.2
249.03903	9.2
254.05339	1.9
255.06274	1.8
261.03809	8.1
265.11703	2.8
269.08057	10.7
283.05890	3.8
285.07526	4.4
287.09052	8.4
289.11798	3.9
297.07678	7.5
301.06973	3.6
301.11917	2.3
311.09171	5.4
312.62296	1.8
313.07080	6.3
315.08673	18.2
317.11252	2.1
325.06949	7.4
331.08099	17.7
339.08578	11.8
343.08099	15.4
353.10373	2.5
361.09232	5.4
367.08130	7.5
381.09625	6.3
385.08902	8.0
395.20404	1.7
397.09241	10.8
399.10727	2.8
409.09161	6.3
417.11505	2.1
427.10022	3.9
427.15225	2.8
445.10800	3.0
445.15997	4.6
463.16940	6.6
481.18250	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	481.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03419	3.6
68.99775	2.7
70.73120	4.8
79.05470	2.5
81.03384	2.1
85.02904	10.1
91.05431	1.5
94.04183	1.8
95.04965	2.1
97.16903	1.6
103.03889	3.7
107.04939	3.7
121.02833	9.8
121.50655	1.5
122.03615	7.2
123.04364	3.3
133.02762	3.4
135.04448	4.8
137.05957	100.0
138.06337	2.1
139.03891	4.0
149.02306	2.5
149.05916	2.8
151.03900	3.3
153.01886	2.9
161.01071	1.5
161.02266	9.0
163.03883	6.3
165.01808	24.1
167.03436	2.3
173.02330	7.5
175.03963	2.4
177.01822	14.0
179.03351	2.8
181.06450	3.3
183.02905	13.7
187.03902	3.3
189.01868	4.8
189.05537	1.5
191.03369	11.1
193.04951	2.5
195.02859	31.7
205.04922	3.5
215.03360	2.2
217.05009	3.5
219.02838	16.1
220.03180	1.6
225.05418	2.3
231.02835	10.1
233.04317	10.2
237.05539	2.5
243.06448	2.1
249.03912	6.0
261.03864	8.5
265.04990	2.4
269.08023	7.3
273.07367	2.7
279.04922	2.5
283.09683	2.6
285.07584	4.2
287.09192	4.4
297.07559	4.8
311.09085	6.7
313.06958	3.6
315.08533	16.3
325.07059	7.8
329.06580	3.4
331.08041	15.1
339.08719	14.1
339.77924	1.7
341.10117	2.0
343.08060	16.6
361.09207	11.9
367.08081	9.8
381.09598	7.7
385.09174	9.7
397.09030	6.8
399.10477	2.8
409.09143	4.9
427.10278	6.7
441.99838	1.7
445.11246	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	481.1124
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03949	0.6
65.54842	0.4
69.03405	0.4
69.64305	3.3
79.05476	0.7
91.05467	1.0
91.96539	0.4
93.07021	0.7
94.12347	0.5
95.04979	0.7
95.08630	0.6
97.02885	0.5
97.06539	0.7
98.20702	0.5
103.05515	0.6
105.07073	0.7
107.04955	2.2
109.06484	0.5
119.04951	1.0
121.06452	1.3
123.04374	0.6
125.05923	0.4
129.07004	0.5
135.04382	1.9
136.05157	0.5
137.02281	0.6
137.05986	0.6
139.03766	0.4
139.07506	0.8
141.06932	0.5
145.06419	0.7
147.04401	1.2
149.05991	1.5
151.07547	3.9
153.05452	1.3
155.04880	1.0
157.06438	1.0
161.05959	0.8
162.06795	0.5
163.03909	2.4
164.04617	0.7
167.07045	2.6
168.07785	0.8
171.04431	1.4
177.05466	2.2
178.06201	4.0
179.03430	0.5
179.06987	3.9
181.08600	1.2
181.92075	0.4
183.04364	0.8
185.05920	1.1
189.02058	0.4
189.05539	0.4
190.10709	0.4
191.03326	0.8
191.07059	0.7
192.03896	0.4
193.04968	0.6
194.09363	2.6
195.06549	1.7
197.08092	0.6
199.03885	1.4
201.05447	0.7
205.04942	2.6
207.02905	0.7
213.05388	2.8
215.03331	0.6
222.05272	1.5
227.03365	0.6
229.04970	4.3
231.02884	0.5
231.06468	0.8
239.03423	0.6
241.04927	2.1
243.02969	0.7
244.03616	0.9
245.04404	7.2
245.06633	0.6
257.04459	1.2
259.06107	0.5
260.03122	0.6
261.03903	0.7
267.02744	0.8
269.04498	1.0
275.06967	0.7
285.03989	0.7
287.05066	0.5
290.02072	0.5
293.04465	3.7
293.07550	0.7
297.07507	0.5
303.06522	1.1
304.07651	0.4
305.08020	0.5
306.05154	2.3
313.03506	0.9
318.05280	0.8
321.07532	0.8
331.05862	0.9
332.06564	0.9
333.07599	0.8
334.04626	1.3
335.05273	0.6
347.05304	0.8
349.06995	1.3
359.05408	1.9
360.06198	0.5
361.06940	1.0
362.04172	1.6
363.04819	0.6
375.04868	2.0
376.05319	0.5
377.06512	7.3
387.04700	1.0
389.06628	1.0
391.08179	0.9
392.09229	0.5
393.05615	0.6
402.07605	0.7
403.08710	2.2
404.09094	0.7
405.06003	53.1
406.06332	1.6
407.07446	0.9
419.07629	2.8
420.08420	2.6
421.09314	1.0
423.06821	1.3
433.05545	8.8
434.05640	0.8
435.10712	7.3
437.08435	0.9
447.07101	0.5
448.07907	1.4
453.11777	15.0
453.18176	0.8
463.10138	5.3
481.11249	100.0
482.11533	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	480.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04152	0.9
53.03938	1.4
55.05276	1.1
55.05510	13.1
57.03434	7.2
57.07076	4.6
67.05496	11.0
68.69337	0.7
69.07064	19.3
71.05008	1.0
71.08616	2.6
71.63750	0.8
71.64193	1.0
74.14133	0.8
79.05496	5.0
81.07043	10.2
83.08606	13.4
85.10167	2.4
86.09727	1.5
88.78692	0.9
93.07029	9.6
95.08598	11.3
97.00757	0.9
97.06515	3.2
97.10153	7.3
105.07032	0.9
107.08562	4.3
109.10152	4.9
111.08097	0.9
111.11729	1.9
121.10147	5.9
123.11707	1.3
125.09579	1.1
135.11664	5.1
149.13239	1.1
153.12741	1.1
185.38727	0.9
196.52429	0.8
265.25281	1.2
308.29504	5.4
339.28906	100.0
340.29239	3.7
411.64465	0.9
480.17422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56988	4.3
53.03954	4.6
55.01875	5.2
55.05498	25.6
59.04978	3.6
65.03929	6.3
67.05502	51.7
68.05823	9.5
69.03425	5.4
69.07057	25.2
70.98314	9.0
71.04981	6.9
77.66447	3.4
79.05494	49.4
80.05822	5.3
80.06250	7.7
81.03420	9.3
81.07050	88.5
82.07390	13.9
83.04985	12.2
83.08616	11.5
85.06528	9.6
91.05474	67.7
92.05788	7.7
93.07030	55.7
94.07333	6.0
95.04945	13.0
95.08591	32.5
96.08937	5.6
97.06515	11.6
99.08078	5.9
105.07008	51.2
106.07293	4.7
107.04940	5.4
107.08564	23.7
108.08894	5.7
109.06456	4.9
109.10139	7.2
111.08063	3.9
115.05434	5.3
117.07020	8.4
119.04932	6.3
119.08558	26.2
120.08920	4.5
121.10124	15.3
122.10452	7.4
123.08062	4.7
123.11707	10.1
124.11988	6.6
129.06995	12.4
131.08583	24.8
133.10141	43.6
135.08092	5.9
135.11678	9.5
145.06487	6.5
145.10100	4.5
147.04411	6.5
147.11659	40.7
148.11986	13.0
149.09695	4.3
149.13220	8.9
157.10133	12.1
159.04399	5.0
159.11674	6.1
160.05147	4.5
161.88412	3.4
165.12694	12.1
166.13089	6.6
169.06412	6.8
173.05977	16.8
175.11131	30.6
185.05956	11.0
191.03349	11.6
193.12317	6.7
197.05891	4.7
199.07547	39.3
203.03455	4.3
207.02814	5.2
207.13748	8.1
225.08994	5.5
231.02933	19.2
245.04446	59.1
257.04474	9.4
259.05893	7.7
263.05518	7.2
267.15903	7.5
268.16232	6.6
271.06027	42.1
283.05942	6.6
285.07507	6.9
289.06992	11.1
294.21487	9.3
297.07544	11.1
367.15451	9.8
377.13849	15.0
383.16348	4.1
395.14828	100.0
413.15933	52.7
427.17618	47.7
429.19623	4.1
445.18710	5.3
480.30780	46.4
481.18875	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	481.0973
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.34914	0.6
55.01863	0.6
61.02915	5.5
62.07230	0.6
67.05486	1.3
68.99769	1.0
69.03413	2.0
69.07040	0.8
69.25487	4.4
69.25914	3.4
70.06580	1.1
71.04998	1.0
73.02887	1.3
79.05470	0.8
81.03413	0.9
81.04514	2.3
81.07051	1.3
85.02896	5.9
86.09659	0.9
91.03934	3.1
91.05469	1.1
93.07037	0.8
95.04903	1.0
97.02881	3.8
98.21458	1.5
105.07000	1.3
106.76116	0.6
107.04937	0.9
109.02866	1.0
109.03974	0.9
109.10150	0.8
121.02830	0.6
121.06539	0.8
123.00832	0.9
123.04440	1.5
127.03881	1.7
127.04990	1.5
134.05986	1.5
137.02322	14.2
137.03374	1.1
137.05931	4.2
145.04936	1.2
147.04414	0.8
152.07028	1.4
153.01794	4.1
161.05952	1.7
162.06322	0.8
163.03958	1.1
164.07045	1.1
165.05263	0.6
167.29562	0.7
169.01305	4.2
171.04370	1.2
175.03944	0.9
177.05518	0.8
181.01277	1.3
187.07448	0.6
189.05487	1.3
191.03378	3.4
199.03882	2.4
217.04970	1.9
227.03355	1.1
229.13388	1.9
245.04454	4.2
253.08215	1.3
253.12105	0.9
255.02802	0.9
271.09268	0.6
273.03900	9.5
284.09460	0.8
286.10916	0.7
296.87604	0.8
301.03391	8.2
303.05209	0.8
312.13672	0.6
319.04449	100.0
320.04852	3.3
361.05469	0.7
481.15561	0.7
481.21600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.4
55.05505	3.0
57.03443	3.2
61.55006	2.8
67.05486	2.7
69.03416	7.5
69.87209	4.1
69.87617	15.0
70.06586	5.5
75.05419	2.7
75.78697	2.9
79.05476	11.5
81.03392	3.4
81.07046	7.5
82.06577	5.4
84.04494	6.3
84.08142	3.4
85.02889	14.4
86.09705	5.0
91.05475	61.0
93.06998	4.9
95.04971	4.9
97.02840	3.7
97.06598	2.7
103.05447	8.5
105.03370	12.1
105.07023	13.5
107.04929	11.0
109.02908	2.9
109.06483	15.6
109.10120	5.6
118.04149	3.7
119.04922	81.4
119.08599	5.9
120.08045	2.8
121.06485	7.8
122.03668	3.3
123.08035	8.6
124.03932	39.8
125.09635	3.6
127.03859	2.6
128.07062	6.6
131.04918	8.2
133.06476	12.1
133.10127	4.2
135.07994	4.0
137.05963	100.0
137.07019	5.2
137.09573	4.5
145.06497	3.7
146.05948	3.1
147.04366	34.9
147.08072	6.2
149.05978	8.3
151.07524	44.8
153.01822	4.7
161.05949	36.4
162.05486	7.7
162.06763	9.9
165.05476	4.0
167.77589	2.8
173.05865	3.1
174.09113	4.6
175.07506	24.8
179.07004	46.3
179.08478	4.4
184.07542	7.3
185.05794	3.5
186.05534	3.4
187.07500	23.4
188.07899	3.4
189.08983	2.8
193.03175	10.0
193.08624	8.3
199.07411	4.4
201.07785	6.0
202.08556	3.2
205.08582	20.0
206.04462	2.8
212.07065	11.5
216.10146	25.8
217.10454	4.3
219.08070	3.4
235.09550	6.8
236.05357	4.5
240.10168	4.6
243.08707	14.4
244.09462	54.9
245.09856	63.5
247.07698	3.2
258.07602	5.7
260.06155	3.2
270.11371	3.3
279.10175	8.5
288.12274	6.3
291.10248	3.4
304.08194	19.9
304.11377	4.8
306.13361	2.8
309.11240	18.0
311.12689	11.0
317.06586	9.0
318.06848	14.8
319.04416	14.9
329.13898	5.1
333.12296	21.2
338.08609	4.2
341.13766	11.7
351.13037	29.5
357.15436	19.1
359.14627	6.2
379.15692	16.3
380.16370	37.6
383.08167	5.2
386.16284	3.5
462.15558	3.0
480.14743	35.0
481.13290	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.68733	0.8
55.01865	2.8
55.05503	18.2
56.96585	0.8
57.03431	5.3
57.07062	2.2
58.14011	0.9
59.03913	0.9
65.03938	2.2
67.05495	54.0
69.03388	1.8
69.07056	20.2
69.65401	0.9
70.01877	5.6
71.05002	4.4
79.05480	37.4
81.03404	7.3
81.07045	100.0
82.07375	1.5
83.04971	9.0
83.08605	14.7
85.02893	3.8
85.06522	6.5
91.05468	31.1
93.07029	44.9
95.04960	7.5
95.08593	23.7
95.09203	1.4
97.06518	9.6
97.10136	2.1
99.08085	3.9
105.07017	29.4
107.04958	1.5
107.08582	27.4
109.06515	6.2
109.10156	4.0
111.08090	6.7
113.06005	1.2
117.06980	6.9
119.08554	22.3
121.06503	1.4
121.10125	22.3
123.08064	2.9
123.11688	17.7
125.09632	1.8
127.07576	1.4
129.06996	1.7
131.08574	7.5
133.10124	4.7
135.07990	1.0
135.11690	4.4
141.06889	1.3
141.09116	1.2
144.47829	0.9
145.06476	1.5
145.10118	2.3
147.11670	42.2
149.09630	1.4
149.13235	21.5
157.10118	1.7
159.11687	10.2
163.11127	0.9
165.12735	22.9
175.11148	1.9
177.12747	3.8
183.13812	3.7
187.11212	1.2
193.12248	5.2
194.94206	0.9
195.13795	7.2
211.13231	6.4
213.14915	2.4
229.14333	4.9
267.15854	27.0
269.17520	1.7
324.11298	1.4
387.24930	1.1
392.64526	1.0
461.28815	2.7
479.30057	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	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.68733	0.8
55.01865	2.8
55.05503	18.2
56.96585	0.8
57.03431	5.3
57.07062	2.2
58.14011	0.9
59.03913	0.9
65.03938	2.2
67.05495	54.0
69.03388	1.8
69.07056	20.2
69.65401	0.9
70.01877	5.6
71.05002	4.4
79.05480	37.4
81.03404	7.3
81.07045	100.0
82.07375	1.5
83.04971	9.0
83.08605	14.7
85.02893	3.8
85.06522	6.5
91.05468	31.1
93.07029	44.9
95.04960	7.5
95.08593	23.7
95.09203	1.4
97.06518	9.6
97.10136	2.1
99.08085	3.9
105.07017	29.4
107.04958	1.5
107.08582	27.4
109.06515	6.2
109.10156	4.0
111.08090	6.7
113.06005	1.2
117.06980	6.9
119.08554	22.3
121.06503	1.4
121.10125	22.3
123.08064	2.9
123.11688	17.7
125.09632	1.8
127.07576	1.4
129.06996	1.7
131.08574	7.5
133.10124	4.7
135.07990	1.0
135.11690	4.4
141.06889	1.3
141.09116	1.2
144.47829	0.9
145.06476	1.5
145.10118	2.3
147.11670	42.2
149.09630	1.4
149.13235	21.5
157.10118	1.7
159.11687	10.2
163.11127	0.9
165.12735	22.9
175.11148	1.9
177.12747	3.8
183.13812	3.7
187.11212	1.2
193.12248	5.2
194.94206	0.9
195.13795	7.2
211.13231	6.4
213.14915	2.4
229.14333	4.9
267.15854	27.0
269.17520	1.7
324.11298	1.4
387.24930	1.1
392.64526	1.0
461.28815	2.7
479.30057	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	479.3725
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
51.01016	36.2
53.75536	39.2
57.59562	33.7
70.46030	33.1
71.59742	77.9
86.92798	37.1
93.07037	54.8
94.80395	43.1
109.10110	45.6
135.67961	33.8
145.78485	37.9
252.99321	39.1
343.25244	37.1
358.34351	37.0
443.35159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90522	1.5
52.92558	1.8
53.03931	5.5
55.01625	1.5
55.01855	7.7
55.05247	2.2
55.05502	29.9
57.03433	15.0
57.07055	2.4
58.42743	1.5
59.04986	2.0
65.03926	4.7
67.05495	82.8
69.03412	5.6
69.07056	29.7
69.83775	8.6
71.04974	9.2
79.05483	59.6
81.03406	53.0
81.07046	100.0
82.07346	1.9
83.04968	16.8
83.08608	28.7
85.02891	24.9
85.06524	7.0
91.05467	55.1
92.05774	2.2
93.06441	3.3
93.07030	67.1
95.04953	39.5
95.08595	31.6
96.54585	1.7
97.02876	3.3
97.06522	15.3
97.10159	6.6
99.08102	3.1
105.07016	30.9
107.04948	9.1
107.07836	1.9
107.08581	36.8
107.09259	3.4
109.06499	10.6
109.10155	9.4
111.04405	2.2
111.08060	16.1
113.06004	1.9
115.05415	1.8
117.06998	10.8
119.08567	23.4
120.65036	1.5
121.06493	5.9
121.10131	24.2
122.94179	1.5
123.04340	2.8
123.07986	2.9
123.11686	4.5
125.09623	7.4
129.07007	12.4
131.08548	21.5
133.06499	3.7
133.10100	21.9
135.08035	5.7
135.11688	8.4
139.11197	2.6
141.07002	1.7
142.07724	2.8
143.08582	3.7
145.06416	2.4
145.10127	6.6
147.08086	3.5
147.11667	17.0
149.09589	6.3
149.13235	26.5
151.11194	3.9
153.01869	1.7
153.09084	1.6
155.08534	2.0
157.10106	12.2
159.11676	14.3
165.12756	4.8
173.13153	1.9
175.11150	14.6
177.12737	8.5
185.13319	2.3
189.11154	2.1
193.12215	48.4
195.13782	6.2
211.11263	3.4
211.13264	59.9
213.14955	2.3
219.13857	1.9
267.15976	6.5
269.17487	5.3
317.06476	3.3
341.24741	2.4
343.22565	3.1
351.22754	2.7
357.90454	1.6
369.24097	4.4
384.50455	1.6
386.62244	1.7
387.25076	6.2
443.27942	1.9
461.28772	13.2
479.29956	76.6
480.29752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60325	1.3
53.30029	1.4
55.01856	2.0
56.05031	80.2
57.03418	2.8
58.06585	12.6
61.01143	51.4
61.18204	1.4
69.03424	2.8
69.95203	1.3
70.02943	3.2
70.06582	4.4
72.08151	1.8
74.06071	100.0
75.02686	1.8
75.24068	1.3
81.03405	2.0
81.04524	6.6
82.06586	3.9
83.04949	1.6
84.04498	11.9
84.08122	3.1
85.02886	4.1
86.06027	2.3
86.09695	36.7
88.03988	7.0
91.05454	2.4
93.07021	1.7
97.02878	1.7
98.20720	4.0
100.03964	2.3
100.07592	2.3
101.07127	3.2
102.05533	1.8
104.05316	83.0
105.07020	3.4
106.02933	2.0
107.04910	2.5
107.08599	2.9
108.04470	9.2
109.03986	1.5
110.06031	6.8
111.05557	2.4
112.11211	2.0
119.04887	1.7
119.08578	3.0
124.03941	4.5
124.11196	2.5
125.07097	5.6
126.04633	2.3
126.05508	23.9
126.09209	1.6
127.05013	5.9
127.08659	5.2
128.07147	2.0
129.06647	2.0
130.04961	4.4
130.06848	3.8
131.08501	2.6
132.10191	30.4
136.03941	2.2
137.06021	1.8
138.05484	4.4
141.13843	3.8
144.06538	20.6
144.08258	1.5
145.06030	3.7
145.10092	2.8
147.04391	3.2
149.05977	2.1
151.07500	2.1
153.01799	8.6
153.06551	3.2
154.04929	1.9
156.04709	8.3
162.05450	1.8
164.07007	2.0
169.13368	5.3
171.07651	7.3
172.09660	2.1
173.13249	4.3
174.05798	22.6
175.08963	2.0
176.06981	1.5
177.05385	2.0
179.06975	1.6
187.14417	14.0
189.08684	11.9
191.03365	2.1
191.14268	6.2
197.12842	6.7
199.07144	5.0
201.06931	22.9
202.05325	5.1
205.04935	2.1
211.04028	1.5
215.12138	1.0
215.13895	47.8
217.08173	22.0
219.07970	17.2
229.04938	4.8
233.14935	83.8
234.15222	2.1
243.13394	3.7
247.07451	51.4
253.08081	2.3
257.04364	8.3
271.09454	2.4
284.16000	5.2
285.03934	2.6
285.11926	1.5
289.10104	3.3
302.04294	3.9
304.09540	2.4
312.15558	2.1
317.06500	48.0
318.06796	3.4
320.12659	2.2
329.12933	2.4
330.11014	7.3
330.16605	19.7
331.13135	2.3
332.13702	3.0
348.12189	33.1
348.17392	4.7
366.13126	1.8
371.17291	1.9
397.19220	1.9
397.29718	1.6
415.20013	4.1
443.19531	5.8
461.15295	2.6
461.20761	13.5
479.05811	2.1
479.16068	3.1
479.22247	2.2
480.14606	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	479.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.7
61.02920	7.2
67.05494	0.4
67.12586	0.4
69.03414	0.9
73.02899	1.5
76.61349	0.5
81.03413	1.5
81.07032	1.1
83.08620	0.5
85.02899	6.8
91.03961	3.4
92.02596	1.0
93.03388	1.0
95.08597	0.5
97.02882	3.8
103.58697	0.3
105.07039	0.4
109.02855	0.7
109.10131	0.5
111.43430	0.4
121.02837	1.1
127.03890	1.0
137.02328	0.4
137.05960	0.5
139.03853	0.5
145.04921	0.8
147.11588	0.4
151.03868	1.4
153.01810	7.4
153.02953	0.8
165.01802	0.5
173.05847	0.4
193.12225	0.5
196.83594	0.4
201.05421	0.5
204.20230	0.4
217.04921	1.2
218.05806	0.6
228.04156	1.3
229.04915	4.0
231.02940	0.6
245.04501	0.8
246.05240	1.8
257.04486	2.9
271.05963	0.5
273.03903	1.6
274.04684	4.1
285.03848	4.5
302.04190	12.6
317.06519	100.0
318.03619	0.4
318.06766	2.9
431.03738	0.5
461.09113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
61.37746	0.3
67.05467	0.9
69.03410	0.4
70.06551	0.3
70.14383	1.0
71.04968	0.6
73.02882	0.7
79.05454	0.4
79.37307	0.3
81.03376	0.5
81.07029	0.8
85.02863	0.9
86.09706	0.3
91.05442	1.0
92.85838	0.3
93.07015	0.9
95.08572	0.7
95.15836	0.3
97.02845	0.6
97.06519	0.5
99.04441	0.4
101.02360	0.7
103.44547	0.3
105.07009	0.4
107.04864	0.3
109.10106	0.4
118.42329	0.3
119.04861	0.7
119.08564	0.4
120.08100	0.6
121.10117	0.4
123.04373	0.3
124.03928	0.6
127.03832	0.3
135.09163	0.9
135.11626	0.5
137.02315	0.3
137.05937	1.3
146.08348	0.5
147.04396	0.7
150.02969	0.4
150.10840	0.3
151.03917	0.4
151.07547	0.7
153.01820	1.0
161.07111	0.6
171.07906	2.2
172.05049	2.4
172.08679	3.6
173.09456	1.6
174.10254	0.8
175.08707	0.5
177.05310	0.3
186.06587	0.7
186.10294	0.5
187.07384	13.1
188.08127	1.4
188.10605	0.3
198.06599	0.6
199.05672	0.6
199.07376	6.5
200.08177	0.8
213.10197	0.4
214.09636	0.7
216.07657	3.0
216.10031	4.8
229.04997	0.6
241.09669	0.4
243.08737	27.9
244.09518	100.0
245.04300	0.4
245.10017	3.1
257.04297	0.7
257.10403	1.9
259.11826	0.7
274.04459	0.4
283.10706	0.7
285.03848	0.5
301.11670	0.5
302.04276	1.2
302.07635	0.4
303.04810	0.6
304.08139	0.6
317.06506	9.6
319.12802	0.4
336.15302	0.5
351.12909	0.4
361.14984	0.5
362.13474	3.1
377.14410	0.6
378.15271	12.2
379.16064	42.7
380.16455	0.8
413.13190	0.4
443.14218	0.6
461.15433	2.3
479.17767	2.4
479.31747	0.5
480.15213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03930	0.2
55.01865	0.2
55.05486	0.4
57.03417	0.6
57.07055	0.3
59.67595	0.1
61.02620	0.3
61.02919	4.9
65.03915	0.5
67.05486	0.5
68.99744	0.3
69.03418	1.1
69.07045	0.4
70.06573	0.2
71.04974	0.3
71.62287	0.3
73.02911	1.3
79.05489	0.4
81.03395	0.5
81.07034	0.7
83.08605	0.3
85.02389	0.3
85.02892	5.2
85.06477	0.2
87.00810	0.4
91.03949	2.3
91.05441	0.2
92.02614	1.3
93.03391	1.4
93.07019	0.5
95.04975	0.2
95.08594	1.1
97.02881	2.8
99.04449	0.3
105.01814	0.3
105.07018	0.3
107.04961	0.2
107.08566	0.8
109.02847	0.5
109.10143	0.6
111.00753	0.2
121.02843	1.1
121.10088	0.9
123.04474	0.2
126.03129	0.6
127.03887	1.0
135.11688	0.5
137.02310	0.5
137.05949	0.3
139.03867	0.5
145.04890	0.3
151.03896	1.8
153.01810	8.9
161.05904	0.2
163.03935	0.5
165.01805	0.8
166.02614	0.3
177.05469	0.6
177.16368	2.0
191.03407	0.2
195.17455	1.5
200.04640	0.4
201.05458	1.0
203.03430	0.5
213.18486	0.5
217.05019	1.1
218.05711	0.6
219.02928	0.3
228.04181	2.0
229.04945	2.7
231.02824	0.4
231.19562	0.6
243.06549	0.3
245.04507	1.7
246.05238	2.5
256.03671	0.4
257.04449	2.4
258.05298	0.3
260.03177	0.4
261.07452	0.4
271.06067	0.5
273.03931	2.5
274.04678	4.7
284.03091	0.5
285.03915	3.3
299.05441	0.2
301.03357	0.4
302.04181	14.1
314.04166	0.5
315.05020	0.3
316.05551	0.2
317.06516	100.0
318.06903	2.7
329.06500	2.0
340.05759	0.2
341.06519	0.5
353.06458	0.2
355.08313	0.2
359.07578	1.6
369.09531	0.2
383.07617	1.4
425.08356	0.4
443.09354	0.5
461.10684	1.0
479.11554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01847	0.8
56.05030	5.5
57.03428	0.8
57.03860	0.5
58.06585	0.8
61.01144	3.1
61.02930	0.6
65.03918	0.5
67.05489	0.7
69.03397	1.0
70.00047	3.1
70.06577	1.8
71.04980	0.7
74.05681	0.7
74.06069	6.9
79.05457	0.7
81.03395	1.0
81.07019	0.5
84.04475	1.1
84.08141	0.8
85.02921	2.7
86.09690	3.3
88.03991	0.6
91.05476	1.2
95.04942	0.8
96.82975	0.6
97.02869	1.6
98.20795	0.8
104.05315	6.5
105.06967	0.7
107.01326	0.7
107.04942	1.4
108.04509	0.7
109.02848	0.7
121.06508	0.8
126.05477	2.2
127.03973	0.8
132.10170	1.5
135.04414	1.3
137.02309	1.7
137.05940	1.1
144.06532	1.5
147.04361	0.7
148.07588	0.7
148.58406	0.6
150.03114	2.4
153.01808	10.5
153.06577	0.6
155.04846	0.9
157.06435	0.8
159.04306	0.7
161.05914	0.7
163.03853	0.9
163.07596	0.5
165.01814	0.5
167.07043	0.9
168.06622	0.7
173.05995	1.3
173.13245	0.8
174.05794	1.5
177.01892	0.6
177.05371	0.9
179.03310	0.7
181.96870	0.5
185.06013	0.6
187.03925	0.9
189.08665	1.3
191.03355	2.6
191.14305	0.9
193.04903	0.8
201.05444	4.3
201.07002	1.3
202.05403	0.5
203.03358	1.4
204.04114	0.6
205.04962	2.5
213.05504	1.6
215.07016	1.0
215.13908	3.1
217.08186	1.9
219.07982	0.6
228.04126	1.1
229.04936	11.7
231.02856	1.2
233.14925	6.0
241.04968	1.4
243.06438	1.3
247.07455	4.2
257.04434	11.6
271.06064	2.5
284.03116	0.9
285.03903	10.3
299.05420	2.0
302.04184	5.0
317.06531	100.0
318.06921	1.7
330.16525	1.9
331.12924	1.3
348.12115	2.0
443.14120	0.8
456.39398	0.5
461.15524	1.6
461.21222	0.9
479.17361	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03921	1.0
54.70193	0.5
55.01856	1.0
55.05507	11.7
56.22743	0.4
57.03167	0.5
57.03431	8.2
57.07058	1.5
62.06072	0.9
65.03922	1.0
67.05497	27.9
69.07059	15.8
69.28873	2.5
69.29298	2.5
71.04973	0.6
71.08621	0.9
73.06561	0.5
74.41080	0.4
79.05487	7.4
81.07046	26.6
83.04971	1.2
83.08611	7.8
85.06524	0.5
91.05461	4.2
93.07040	7.6
95.04939	0.6
95.08595	19.7
97.06519	1.7
97.10164	3.8
98.06014	0.4
98.20575	0.4
99.76711	0.4
104.02320	0.4
105.07015	2.9
107.08583	4.2
109.10139	6.6
111.08057	0.8
111.11705	0.9
114.01822	0.5
119.08587	2.7
121.10125	3.0
123.11667	2.0
133.10124	2.1
135.11673	2.0
137.13249	1.3
141.94826	0.4
147.11708	1.5
149.13202	0.9
153.12701	0.5
155.70436	0.4
161.13249	1.3
163.14799	0.7
175.14688	0.6
216.06322	0.6
245.22818	0.7
263.23724	1.1
298.63428	0.4
306.27945	4.9
337.27322	100.0
338.27777	2.5
485.93597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.05508	13.0
57.03421	3.8
57.07092	2.1
59.06013	1.4
62.06084	30.3
67.05500	30.1
69.07066	19.2
71.33764	3.6
79.05495	10.0
81.07047	31.6
83.08609	8.1
91.05462	7.3
92.72033	1.6
93.07053	8.7
95.08602	22.6
97.10162	3.4
98.06055	10.7
98.98464	9.2
105.07001	3.1
107.08591	5.1
109.10145	6.6
119.08583	3.6
121.10117	3.7
123.11688	3.4
124.01617	1.6
133.10135	2.7
135.11710	2.7
137.13240	2.3
149.13214	1.9
155.01018	6.2
173.02063	2.0
185.97128	1.7
198.05263	1.7
200.48340	1.3
216.06230	2.4
245.22691	1.8
253.19466	1.4
263.23706	5.7
277.32672	1.6
306.27875	100.0
307.28226	4.4
337.27325	91.0
338.27786	4.0
350.01965	1.4
382.26553	1.6
478.28821	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	479.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	22.6
69.81204	50.6
69.81586	17.5
74.22153	8.2
85.02890	28.7
87.04459	18.4
90.54917	8.4
94.06553	33.6
94.93015	17.7
97.02882	29.0
98.20694	8.9
98.97575	18.3
100.07633	12.6
101.00796	7.4
115.03890	15.2
116.98619	9.7
117.33865	8.5
119.01913	14.9
127.03886	15.6
128.98676	8.4
131.01851	10.6
133.04871	8.7
136.94016	100.0
138.05478	21.4
145.03447	13.1
148.93982	25.2
157.03551	9.5
161.03020	23.5
166.95067	45.8
172.95282	12.3
173.02933	10.6
176.01065	20.0
185.02931	19.7
187.04553	8.7
196.77768	8.4
196.95117	94.4
203.04042	20.4
214.96312	32.2
219.01913	15.9
221.05124	9.9
226.96292	30.0
245.05132	22.5
256.97394	51.9
261.08276	10.7
275.06195	11.1
298.64832	8.7
298.98328	17.9
316.99469	10.1
321.10223	10.5
323.08011	10.4
369.52734	8.2
381.07944	94.4
419.03430	66.5
479.10980	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
67.04238	4.0
68.05009	1.5
69.03408	1.3
70.06572	0.8
71.59969	1.0
71.60388	0.6
71.93294	0.5
74.00640	1.5
74.06078	1.2
75.40388	0.5
75.54246	0.6
81.03411	0.7
84.04472	1.2
85.02897	3.1
86.00655	0.7
86.06057	3.7
86.09689	0.6
97.02889	2.8
100.02191	100.0
101.02533	0.5
101.44131	0.5
102.05550	1.3
110.06002	0.5
112.82639	0.5
114.05533	2.2
123.04495	0.8
127.03861	0.8
129.04787	0.6
130.05006	1.0
132.01135	1.0
138.05479	0.6
146.02797	0.7
156.06683	0.6
157.04265	3.3
158.02699	3.7
172.76590	0.6
175.05356	1.8
185.03835	1.3
187.10800	0.9
203.04826	63.9
204.05174	0.7
213.06889	9.8
245.15015	1.7
251.17097	0.6
255.08131	0.6
276.10693	0.9
316.09586	15.5
317.09769	0.7
340.11801	0.5
346.19659	1.3
358.10904	0.8
375.11890	2.8
377.18924	1.1
417.20535	0.7
478.14880	11.1
478.22137	0.8
478.24231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56055	0.6
57.03443	0.6
59.12415	0.5
67.04235	4.3
69.03413	2.0
70.06585	1.0
71.49660	1.2
72.08134	0.9
73.01109	0.7
74.00654	4.2
84.04495	0.7
85.02905	3.1
86.00654	0.8
86.06037	0.8
86.09704	0.7
87.04459	0.7
97.02875	3.8
100.02192	100.0
102.05511	0.9
103.05440	0.7
107.04975	0.6
114.05507	1.9
116.98590	0.8
120.08099	1.1
121.06467	0.6
124.03822	0.7
127.03884	1.3
130.04990	1.5
132.01143	1.2
134.31874	0.6
138.05409	0.6
146.52722	0.6
147.04402	1.2
150.65915	0.5
152.07072	0.8
156.06534	0.6
157.04298	2.6
158.02684	3.6
166.08598	1.3
175.05345	2.3
177.05452	2.1
185.03796	1.0
189.00722	0.7
192.06599	0.6
203.04828	68.8
204.05038	1.0
213.06895	20.6
213.08852	1.2
276.10904	0.7
300.86850	0.6
316.09564	15.2
343.89703	0.6
375.12073	1.8
478.14896	6.0
479.17242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.7
55.05503	63.6
57.03419	7.0
59.04993	4.3
61.00399	2.2
63.87762	2.1
65.03937	4.7
67.05496	53.1
69.03419	9.4
69.07054	15.8
69.31802	29.6
71.04986	4.9
73.20831	2.6
79.05479	61.6
81.03399	21.7
81.07043	50.5
83.04955	12.1
83.08607	31.5
85.02908	4.1
85.06548	5.7
91.05473	39.8
93.07032	34.1
95.04951	20.4
95.08604	19.8
97.06518	14.5
97.10151	46.3
98.21484	4.7
105.04575	2.4
105.07027	29.1
107.04933	39.1
107.08578	36.9
109.06526	11.1
109.10133	16.0
111.04436	3.4
111.08053	7.5
115.05455	6.0
117.06991	17.3
119.08562	19.9
121.06473	24.8
121.10141	14.0
122.10479	3.0
123.04404	4.1
123.08082	12.5
123.11676	5.9
125.05957	3.0
125.09615	34.1
128.06200	4.0
129.07021	13.7
131.04903	3.8
131.08531	18.9
133.06470	9.3
133.10139	9.7
135.08035	14.1
135.11674	6.4
137.05914	4.4
137.09613	3.4
141.07008	5.2
143.08551	8.9
145.06471	19.5
145.10083	11.5
147.04414	6.3
147.08028	13.4
147.11670	10.2
149.05975	2.6
149.09630	7.0
149.13304	2.9
151.07552	2.7
153.09142	12.1
153.12711	3.3
155.08571	4.4
157.06435	6.5
157.10101	11.6
159.08000	7.4
159.11665	6.8
161.06024	2.8
161.09575	4.5
163.11179	5.2
165.12785	3.3
169.10130	7.4
169.12241	3.7
171.07976	6.3
171.11737	7.3
173.09593	4.6
173.13303	4.1
175.07497	4.5
175.11145	8.9
177.12708	6.5
179.18546	2.6
181.10007	3.6
183.11742	2.4
187.11157	3.1
189.09608	4.0
189.11212	24.6
189.12790	5.3
193.12206	18.0
195.11732	3.6
195.13658	3.0
197.13274	5.4
199.11147	5.9
205.12279	3.7
209.13115	2.8
211.11337	3.9
211.13174	3.3
211.16934	7.0
213.12788	4.4
215.14285	6.5
217.12311	2.9
219.13843	5.0
221.11673	2.7
223.13266	4.3
224.17258	2.5
225.12701	3.8
227.12761	6.9
229.17932	10.4
231.13947	3.7
233.15233	16.7
237.12740	3.4
241.14278	5.0
243.13690	2.9
245.15442	2.6
249.14801	5.0
255.13783	5.6
267.15768	7.3
273.14737	20.2
315.08517	6.2
331.20639	3.3
339.23148	8.5
345.09592	3.0
349.21478	19.4
357.24228	14.5
367.22668	49.9
385.23685	100.0
386.23859	5.1
398.14304	2.9
403.24753	23.2
441.26636	5.8
447.07437	3.8
459.27368	66.8
460.27499	3.7
477.28320	40.9
478.28552	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	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00243	2.8
55.01867	17.2
55.05501	79.4
57.03419	12.7
64.51702	2.7
67.05493	62.8
69.03416	6.7
69.07069	20.9
70.09203	2.6
70.09522	17.0
71.04990	3.7
78.93825	2.8
79.05481	78.6
81.03406	64.8
81.07045	63.4
83.04974	19.7
83.08607	39.6
85.02910	5.1
85.06516	6.2
91.05468	49.2
93.07030	51.4
95.04955	35.6
95.08601	29.2
97.06512	13.3
97.10157	49.0
103.05445	3.7
105.07014	46.8
107.04938	34.3
107.08580	38.2
109.02815	3.8
109.06488	10.4
109.10121	16.2
111.04402	4.9
111.08053	7.8
113.05946	2.9
115.05479	3.4
117.07005	21.8
119.04917	3.4
119.08553	31.3
121.06493	34.1
121.10124	18.9
123.08057	12.6
123.11682	7.5
125.09608	37.0
128.06192	4.6
129.07010	13.6
131.04919	6.7
131.08542	25.5
133.06500	14.6
133.10126	13.0
135.08041	11.1
135.11639	7.3
137.05946	4.5
137.09570	3.7
141.06960	8.3
143.08533	10.9
145.06410	21.2
145.10098	15.6
147.04367	5.9
147.08043	13.0
147.11671	17.1
147.39221	2.9
149.09615	10.5
149.13260	5.0
151.71338	3.3
153.09102	7.3
153.12688	3.0
155.08554	7.9
157.06462	8.4
157.10103	13.4
157.85228	3.0
159.08066	7.4
159.11652	7.6
161.06006	4.6
161.09578	6.8
163.11183	11.2
165.12721	4.8
169.10121	5.3
171.08006	6.8
171.11690	6.1
173.09587	8.3
175.11180	11.4
178.14951	3.2
185.09595	4.9
185.13234	3.8
187.11127	4.5
189.09631	4.8
189.11214	32.0
189.12726	4.6
193.12195	29.3
195.11691	5.1
197.13245	4.2
199.11098	5.9
205.12221	5.1
211.11263	4.4
211.13268	11.0
215.14259	8.4
217.12256	5.1
217.15846	3.8
221.11769	3.6
221.62915	3.1
223.13237	3.7
227.12683	27.9
231.13690	6.9
233.15361	22.9
239.14313	5.2
245.15518	6.3
249.14871	5.5
255.13826	6.0
267.15918	21.9
273.14740	14.1
287.16342	4.0
291.15710	4.4
329.24664	4.3
332.41019	3.7
339.23193	10.2
341.21033	6.5
349.21439	18.2
357.24127	10.9
367.22629	49.1
385.23676	85.8
386.23926	5.9
403.24771	31.6
433.25732	10.0
441.26224	9.9
459.27365	100.0
460.27414	9.1
477.28461	76.3
478.28799	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07433	1.7
53.03928	5.1
55.01867	11.0
55.05503	61.9
57.03423	7.8
59.04987	2.0
64.51546	2.1
65.03943	3.0
65.58612	1.9
67.05494	48.2
69.03419	7.7
69.07053	16.3
70.09307	3.3
70.09723	8.4
71.04979	2.4
77.03919	2.4
79.05482	57.8
81.03420	14.8
81.07043	45.0
83.04957	6.0
83.08609	27.9
91.05466	27.9
92.26290	2.1
93.07027	30.9
95.04949	20.2
95.08595	20.2
97.06511	7.2
97.10151	52.4
97.10728	4.1
103.05453	2.3
105.07016	25.4
105.96883	1.9
107.04942	32.9
107.08571	30.6
109.06507	10.1
109.10124	14.8
111.08086	4.2
113.05956	2.2
113.44525	2.2
117.07013	16.5
119.04950	2.7
119.08562	13.6
119.52820	1.8
121.06485	21.9
121.10125	4.7
123.04436	3.0
123.08091	7.3
123.11717	2.8
125.09610	34.2
128.06218	2.4
129.06987	14.7
131.04927	6.6
131.08534	14.6
133.06471	11.6
133.10124	6.4
134.59044	2.0
135.08026	13.6
135.11644	4.9
137.05959	2.1
139.07600	2.0
141.06982	5.3
143.08528	6.9
145.06458	14.8
145.10109	10.0
147.04434	4.9
147.08046	6.2
147.11664	7.8
149.05986	2.7
149.09618	6.3
153.09085	13.9
153.12715	5.8
155.08548	5.2
157.06456	4.6
157.10104	9.6
159.08035	4.9
159.11710	5.3
161.05960	6.2
161.09612	3.2
163.11147	5.9
165.07028	2.8
169.10158	6.4
171.08066	5.6
171.10254	2.8
171.11644	6.2
173.09628	6.5
175.11192	7.6
177.12579	2.3
181.10031	4.0
185.09544	2.2
187.11165	5.8
187.14850	4.6
189.11191	29.3
189.12727	5.5
193.12180	12.6
195.11714	2.9
197.09666	2.5
197.13292	4.0
199.11185	4.8
201.12741	3.2
203.14363	3.7
205.12186	3.2
209.13383	2.8
211.13184	2.4
213.12833	4.4
215.14226	4.5
217.12254	6.4
217.15744	2.6
221.11545	2.5
223.13220	2.4
225.12764	3.5
227.12759	7.2
231.13713	4.0
233.15320	14.2
235.13261	5.7
237.12679	3.7
239.49275	2.4
241.14398	6.7
245.15500	2.4
249.14848	2.1
255.13815	5.3
259.13120	4.9
273.14825	23.6
289.17902	3.4
291.15955	5.8
321.22150	2.3
339.23291	10.9
349.21616	23.8
357.24164	9.5
367.22638	56.6
368.23123	3.3
385.23642	100.0
386.23969	6.3
403.24710	26.4
403.48941	2.1
405.23953	2.9
423.25311	3.3
441.26413	8.7
459.17151	2.3
459.27362	55.3
460.27637	6.4
477.28421	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	477.1385
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03940	0.2
55.39060	0.2
55.89741	0.1
57.03456	0.2
61.02922	0.4
66.80212	0.2
68.99799	0.3
69.03415	1.2
69.57143	0.3
69.57550	1.0
70.02541	0.2
73.02911	0.2
74.77698	0.1
81.03435	0.7
85.02891	2.0
87.04450	0.2
88.03411	0.1
88.38998	0.2
97.02877	0.8
98.21472	0.2
104.00026	0.2
107.04954	0.4
109.48818	0.1
112.86626	0.1
123.04440	0.2
127.03920	0.4
137.02315	10.9
138.80011	0.2
139.05019	0.3
139.20062	0.2
140.03380	0.2
149.02325	3.8
149.06064	0.2
153.05470	0.8
163.03909	0.6
164.04652	1.5
177.05470	0.4
181.66264	0.2
184.05232	0.6
187.03931	0.6
189.05464	1.3
201.05569	0.4
203.75662	0.2
211.03906	0.2
212.04659	5.0
213.05473	0.3
215.03366	3.1
223.03894	0.4
223.69812	0.2
224.04620	0.2
225.38005	0.2
227.07043	0.5
229.04994	1.2
239.03336	0.5
240.04140	4.3
255.02858	0.3
255.06451	3.6
257.04401	11.7
259.09641	0.2
267.02878	0.6
268.03687	2.7
269.04456	0.8
272.06720	0.2
283.05963	3.4
284.06647	0.2
285.03903	36.2
286.04269	1.2
287.09177	0.4
299.05502	0.2
300.06232	16.5
301.06400	0.4
315.08566	100.0
316.08926	2.1
330.07373	0.3
345.05945	0.1
345.09726	2.2
417.74954	0.2
441.07709	0.2
477.13757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1386
Annotation	Eupalin
Peak:m/z	Relative Intensity
50.61412	0.3
51.43457	0.3
55.08308	0.3
60.99231	0.3
64.39702	0.3
67.05488	0.4
69.03387	0.3
69.30064	0.3
70.72171	1.1
75.24328	0.3
79.05507	0.4
85.02890	0.4
97.02897	0.4
100.93280	0.3
111.72728	0.3
123.04422	0.6
124.03882	0.3
133.10092	0.4
149.02354	2.9
153.01817	10.4
153.05367	0.6
164.04674	3.2
174.13599	0.3
203.03430	0.9
205.04953	1.7
217.05057	0.5
228.04140	4.8
231.02855	3.1
245.04437	0.9
255.02939	0.4
256.03580	3.5
257.04245	0.5
269.04245	0.4
271.05936	3.0
273.03928	6.7
278.74747	0.3
283.02319	0.5
284.03162	2.8
285.03909	0.9
287.05493	1.1
299.05423	2.8
301.03394	31.0
302.03796	0.7
315.04953	0.4
315.08478	0.7
315.13617	0.3
316.05737	14.3
331.08081	100.0
332.08383	2.4
345.09677	0.4
427.68881	0.3
477.18912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
63.54321	0.3
69.03401	0.4
70.06554	0.3
74.85653	0.2
79.05485	0.4
84.69454	0.2
85.02876	0.5
86.09677	0.3
91.05457	0.3
97.02872	0.3
97.06546	0.3
121.02817	0.4
123.04398	0.5
127.03933	0.4
131.08632	0.2
134.27361	0.3
147.04500	0.3
149.02304	2.8
153.01805	10.8
153.05426	0.8
153.53093	0.3
164.04677	3.1
177.05478	0.4
179.03485	0.3
191.07034	0.3
200.04610	0.3
203.03371	0.8
205.04927	1.7
217.04939	0.7
220.06311	0.3
228.04106	4.3
229.04698	0.3
229.13298	0.3
231.02859	3.5
239.06909	0.4
240.04305	0.3
243.06572	0.3
245.04451	1.0
255.02844	0.5
256.03647	3.1
257.04419	0.5
257.12833	1.1
271.05951	2.4
273.03900	8.3
282.89120	0.3
283.02438	0.7
284.03076	2.4
285.03906	1.3
299.05490	3.2
300.06241	0.5
301.03378	31.2
302.03787	0.8
315.05063	0.6
315.08566	1.5
316.05731	14.5
317.06216	0.3
321.48297	0.3
331.08066	100.0
332.08420	2.5
345.09943	0.4
459.92798	0.2
477.15973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01862	1.7
55.05505	12.1
55.21023	1.4
57.03428	5.0
62.06078	35.2
64.90005	1.4
65.03941	1.3
65.25604	1.1
67.05495	37.3
69.03361	1.1
69.07063	7.4
71.58382	2.0
71.58747	1.2
73.14319	1.0
79.05484	24.0
80.35859	1.0
81.03408	3.0
81.07047	28.0
83.04984	2.4
83.08604	5.6
85.06538	2.3
91.05459	13.8
93.07033	21.9
95.04934	3.5
95.08596	23.7
97.06515	3.0
97.10119	1.3
98.06050	2.1
98.98430	9.7
105.07009	8.7
106.23623	1.1
106.88295	1.1
107.04913	1.8
107.08563	12.2
109.10138	7.4
117.07056	2.2
119.08553	6.5
121.10124	8.0
122.89937	1.2
123.08080	1.5
123.11686	2.1
124.01579	2.8
129.06944	1.6
129.73672	1.2
131.08554	5.0
133.06468	1.6
133.10127	4.6
135.08080	1.4
135.11702	5.0
137.09552	1.7
142.02548	1.3
145.10141	3.7
147.11667	3.9
149.13235	2.8
155.01051	4.6
159.11740	2.2
161.13277	2.4
162.83418	1.5
163.14813	1.5
165.12778	1.4
173.02110	2.2
173.13269	2.8
175.14833	2.1
187.14819	1.8
198.05270	2.7
216.06331	4.8
227.12842	1.7
233.76035	1.2
243.21042	2.7
243.72369	1.1
261.22144	7.9
304.26263	11.0
335.25751	100.0
336.26013	1.7
375.91910	1.5
409.19058	1.4
458.26526	6.5
476.19336	3.5
476.27246	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98182	0.4
53.03927	0.9
55.05289	0.8
55.05508	7.4
57.03431	6.1
60.30964	0.5
62.06065	0.6
64.54121	0.4
65.03915	1.9
67.05494	27.8
68.26426	0.5
68.84258	0.5
69.07056	5.6
69.86069	2.4
71.04964	0.8
74.18436	0.5
79.05032	0.7
79.05480	14.0
81.03411	0.8
81.07044	22.3
83.04942	0.8
83.08588	2.0
83.58066	0.6
85.06528	0.6
91.04999	0.6
91.05468	6.4
93.07035	14.2
95.04934	2.2
95.08588	18.1
97.06498	1.5
98.06024	0.8
98.21286	0.7
98.98465	0.6
105.07027	4.6
107.08572	6.7
109.10136	6.0
111.08064	0.6
117.06984	1.5
119.08582	2.6
121.10134	5.3
123.11681	1.3
131.08537	2.3
133.10074	2.4
135.07961	0.5
135.11659	2.9
137.13310	0.6
145.10088	1.3
147.11656	0.9
149.13249	1.1
159.11713	0.7
161.13199	0.9
163.14879	0.5
173.13268	0.7
187.14746	0.5
200.78755	0.5
216.06235	0.9
261.22083	0.7
304.26266	3.7
335.25742	100.0
336.26028	3.1
361.32675	0.5
454.90854	0.6
477.28232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
55.01851	2.3
55.05503	11.7
55.05724	1.8
56.05034	2.6
65.03908	1.6
67.05481	8.6
69.03411	6.5
69.07047	17.8
71.04965	2.4
71.61943	3.1
71.62305	2.5
79.05474	12.6
81.03387	7.1
81.07040	15.9
83.08586	6.1
85.02890	11.7
87.00796	3.9
91.05448	14.1
93.07032	11.3
95.04945	6.7
95.08592	13.1
97.02862	7.4
97.06527	5.2
97.10147	3.0
99.04420	2.9
102.05492	2.4
105.01849	6.4
105.07004	32.1
107.04914	4.7
107.08583	18.1
109.02856	5.2
109.06501	2.6
109.10123	2.6
111.17765	2.2
115.05420	2.3
117.06981	3.8
119.04944	2.4
119.08560	85.3
119.09418	4.1
120.08848	2.3
121.06474	2.6
121.10135	5.2
123.08044	2.0
125.09549	2.5
127.03900	4.4
131.08495	4.4
132.42566	2.0
133.10098	35.9
135.11656	6.7
137.05910	2.4
145.04919	3.5
145.06441	2.4
145.10124	5.0
147.11655	8.3
149.09549	2.3
151.07513	2.3
157.10066	2.6
159.59515	2.0
173.13159	2.2
175.14795	100.0
176.15082	2.7
177.09016	2.1
189.11093	2.5
193.15804	2.3
198.83810	1.8
228.13057	2.1
315.08517	7.9
345.09579	2.5
367.22586	3.8
374.16498	2.4
384.22644	2.3
385.23685	6.9
403.24255	2.1
459.27078	4.2
476.26810	6.2
477.28418	3.4
504.54199	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	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01870	14.1
55.05502	3.1
56.87953	2.1
57.03412	7.5
61.02919	6.0
68.05024	5.0
69.03411	19.2
70.06567	10.8
71.01319	2.4
71.04983	3.1
71.59984	3.0
72.08142	7.0
73.02908	4.4
81.03405	8.2
84.04472	3.6
84.08152	2.6
85.02399	3.1
85.02892	40.3
86.06064	22.9
86.09682	10.0
87.04451	6.9
91.05479	6.9
95.01314	33.4
95.04943	9.6
97.02883	22.4
97.87422	2.8
98.07159	5.3
98.34955	2.4
101.07111	2.7
103.05463	4.2
105.07005	12.4
107.04951	5.3
109.02849	4.2
115.03899	7.0
115.05400	6.7
116.07057	14.9
117.05692	3.2
117.06976	7.9
119.04929	20.0
121.02834	4.1
121.06507	4.5
123.04411	53.7
127.03915	7.0
128.06204	4.2
130.91731	2.5
131.04909	20.8
133.04953	5.8
133.06473	55.1
137.05962	3.7
139.94199	3.1
141.07021	6.0
142.08611	17.6
145.05180	4.5
145.06448	66.8
147.04388	88.3
149.05927	11.0
152.07034	4.2
155.06020	4.2
157.06430	12.4
159.04414	6.9
159.08023	8.4
161.05946	47.6
163.03891	4.0
163.07396	2.7
165.05458	37.7
166.80937	2.7
169.06461	7.5
171.04388	13.8
171.07964	8.9
173.05952	100.0
175.03825	12.0
175.07492	8.9
177.05486	6.3
177.09093	3.0
181.06450	5.3
184.07362	2.8
185.05936	21.0
185.12766	3.1
187.07465	16.8
187.14345	4.9
189.05423	27.3
191.06947	13.2
193.08577	13.4
197.05966	40.1
199.07518	16.7
201.05438	31.2
205.04938	4.3
207.06549	5.9
215.04973	4.3
215.06998	70.0
215.09044	6.2
217.04982	3.5
217.08418	3.3
219.06488	76.1
220.06639	2.4
231.06435	9.6
233.08089	34.2
237.07588	9.8
243.06494	68.2
245.14990	11.9
261.07532	84.3
261.10315	5.2
279.08624	59.3
344.21902	3.4
377.19205	12.3
418.89847	2.7
422.64450	2.6
476.21143	3.1
476.26819	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31689	0.4
62.18808	0.4
63.50270	0.5
65.03928	1.1
67.05501	0.5
69.03412	0.8
70.06578	0.6
70.74738	1.3
71.04976	0.5
72.00383	0.4
79.05437	0.4
81.03429	0.5
82.06598	0.6
84.08134	1.2
84.98509	0.4
85.02888	0.7
86.09695	0.8
91.05474	6.9
93.03418	0.7
93.07030	0.5
95.04991	0.7
97.02879	16.4
104.02032	0.4
105.06965	0.7
109.02858	0.8
117.03345	0.9
119.04923	17.7
119.08544	0.7
121.06541	0.8
125.92284	0.4
127.03905	0.5
131.04874	1.3
131.08524	1.0
135.04376	0.5
137.05957	0.5
141.07025	0.8
143.08531	0.5
144.05632	0.5
145.02826	3.4
147.04390	100.0
148.04724	1.7
149.02316	1.0
149.05914	0.9
154.65450	0.5
159.04402	1.3
159.08032	2.7
161.05963	0.9
167.03336	2.5
169.06451	1.5
171.07997	0.5
177.05452	6.5
185.05989	1.5
187.07483	1.3
197.05946	1.8
215.06941	1.8
221.08046	7.9
225.05469	0.6
237.24203	0.4
243.06534	7.7
244.84587	0.6
261.07513	4.7
279.08740	2.2
334.68793	0.6
417.15298	1.7
476.16272	0.6
476.23029	0.6
495.22842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02254	0.4
59.00850	0.4
65.03931	1.2
70.06564	0.7
72.08124	0.6
81.03409	0.4
84.08096	0.5
85.02882	0.8
85.89447	0.4
86.09706	0.6
91.05476	5.8
93.07059	0.5
95.04961	0.5
97.02881	15.7
98.95210	0.5
107.04937	0.5
114.42034	0.4
119.04927	17.4
121.02803	0.6
121.24777	0.4
127.03889	0.6
131.04890	0.9
131.08559	0.6
134.54933	0.4
135.04333	0.5
140.67242	0.4
141.06992	0.5
145.02882	0.7
147.04387	100.0
148.04727	1.8
158.07314	0.5
159.04417	0.9
159.08020	2.4
167.03358	2.2
169.06448	1.2
177.05440	3.1
181.03557	0.4
185.05980	2.4
187.07529	1.5
193.45689	0.4
197.05988	1.9
206.23035	0.4
215.07022	2.1
221.08029	1.5
236.53638	0.4
243.06503	8.1
261.07547	4.4
279.08612	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	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
57.03424	0.4
57.87942	0.2
60.04501	0.2
65.72219	0.2
69.03415	1.9
70.06554	0.4
70.39312	0.5
70.39703	0.4
71.04978	0.3
72.08147	0.3
72.57268	0.2
73.06508	0.3
78.03457	1.4
80.04996	0.5
81.03410	0.6
84.08148	0.4
85.02888	1.6
86.09669	0.6
91.05480	0.6
93.07053	0.2
95.05001	0.2
96.04494	0.6
97.02879	100.0
98.03226	1.2
99.04417	0.2
106.02903	6.9
112.09222	0.2
113.89765	0.2
119.04958	0.3
121.06483	0.2
123.04426	0.3
123.08080	0.3
124.03935	12.3
127.03896	0.4
137.02315	0.2
147.04443	1.1
158.40929	0.2
165.05446	0.3
167.06940	0.3
177.05453	0.2
196.06091	0.5
220.06020	26.5
221.06331	0.8
238.07037	4.5
254.06561	0.7
256.08157	0.8
284.52298	0.2
314.12280	3.4
315.05103	0.5
400.12335	8.5
401.12811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
57.03428	0.5
66.21174	0.3
67.26649	0.3
69.03430	1.4
69.53370	2.4
70.06577	0.9
78.03442	1.4
80.05029	0.4
81.03399	0.9
83.04967	0.5
84.08128	0.9
84.75198	0.3
85.02902	1.9
86.09680	0.8
87.04445	0.4
96.04503	0.4
97.02879	100.0
98.03214	1.0
98.21456	0.4
99.04441	0.3
105.07034	0.5
106.02896	6.3
111.04410	0.3
112.14842	0.3
114.05533	0.4
115.04015	0.3
122.98451	0.4
124.03936	10.1
127.03920	0.8
137.02301	0.3
145.04930	0.3
147.04395	0.8
147.08022	0.4
153.01833	0.3
153.05434	0.3
161.05966	0.4
170.08234	0.4
196.06010	0.5
220.06018	25.5
221.06419	0.4
238.07080	4.1
254.06436	0.4
256.08130	0.5
314.12213	2.2
314.82596	0.3
315.04941	0.7
364.09854	0.3
400.12344	7.9
401.12146	0.5
476.17041	0.4
504.18295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
55.01849	2.6
55.05501	9.1
57.03166	1.9
57.03428	23.1
57.07067	55.3
61.02916	54.5
67.05492	20.4
69.03417	23.6
69.07059	10.8
71.01338	3.1
71.04977	4.3
71.08620	36.2
71.60659	1.9
73.02905	26.2
73.74641	1.3
75.04479	2.2
79.05479	6.7
81.03407	17.2
81.07041	26.9
83.04977	1.9
83.08604	15.4
85.02891	60.8
85.10165	21.9
87.04449	3.1
87.34147	1.3
91.03941	36.6
91.05461	4.5
93.07031	5.1
95.08589	31.9
97.02875	50.0
97.06480	2.1
97.10154	9.2
99.04432	10.3
101.02345	11.8
103.03931	8.5
105.07008	3.1
107.04949	1.8
107.08555	3.5
109.02856	9.3
109.10127	16.0
111.11687	2.8
115.03921	4.9
115.88250	1.3
117.05477	1.8
117.06956	2.2
119.08508	2.0
121.10112	2.4
123.11681	7.9
125.13245	2.4
127.03892	23.4
129.05469	4.4
129.07001	2.1
131.08504	1.2
133.10129	1.6
135.11713	1.5
137.13223	5.0
141.05473	1.6
145.04944	6.6
147.11671	1.9
151.14807	1.4
159.06555	2.0
183.06502	6.0
201.07610	4.6
221.22769	2.2
239.23668	27.0
243.60837	1.3
257.24698	5.2
293.48880	1.6
313.27313	100.0
314.27594	3.8
341.26791	3.8
355.28326	2.1
457.31754	6.0
475.32697	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	475.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.7
56.66442	1.2
57.07066	2.3
61.02377	1.1
67.05499	12.2
69.03408	1.8
69.07062	12.0
71.04981	1.3
71.60171	1.5
79.05479	4.7
81.07051	23.6
83.08601	6.7
85.06527	2.6
91.05445	1.8
93.07023	10.4
95.04947	1.8
95.08590	35.1
97.10131	2.6
99.08072	2.0
105.07026	4.1
107.01189	1.2
107.08581	34.5
109.06535	1.4
109.09416	2.2
109.10143	35.0
111.11715	5.0
119.08587	5.8
121.10135	12.5
123.11693	9.1
125.09618	39.7
127.11154	1.3
131.08568	1.5
133.10114	4.0
135.11719	7.5
135.12610	1.4
137.13214	5.7
143.07068	1.6
143.10692	3.9
147.11676	2.1
149.13240	7.7
152.28049	1.1
153.09137	7.6
159.11732	1.9
161.13283	2.2
163.14821	3.5
171.10139	100.0
172.10541	2.5
177.16341	5.5
191.17955	4.4
197.11765	1.6
203.17946	2.4
205.19505	8.6
215.18022	1.2
217.19583	1.5
221.15323	1.3
233.71356	1.3
239.16289	1.4
251.04584	2.5
287.27267	5.1
327.27048	1.4
340.21240	1.2
439.35272	1.3
457.36752	4.8
475.32263	19.4
475.37265	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.2
53.03951	10.6
55.01855	5.8
55.05245	2.1
55.05503	32.1
57.03426	7.4
57.07053	3.0
65.03928	4.1
67.05495	97.8
68.05836	1.6
69.03402	3.4
69.07059	28.2
71.01331	1.7
71.04971	5.3
71.58570	1.6
73.02921	1.3
73.06539	3.4
76.31737	1.2
79.05485	100.0
81.03406	17.1
81.07048	96.3
82.07358	1.6
83.04970	18.3
83.08607	17.8
85.06539	7.0
91.05469	72.8
93.07033	89.9
95.04956	29.0
95.08597	39.9
97.02866	2.4
97.06511	14.8
97.10160	5.4
99.08067	2.2
103.05488	2.6
105.04507	2.1
105.07021	43.5
107.04948	8.9
107.07841	2.3
107.08579	42.8
109.06516	8.0
109.10143	8.3
111.08084	9.4
113.09602	1.6
115.05457	2.2
117.07004	17.0
118.44765	1.3
119.08569	26.2
121.06465	4.9
121.10124	18.0
123.04433	1.7
123.08021	6.5
123.11710	3.2
125.09610	4.7
127.07534	1.6
127.13058	1.4
128.06183	4.7
129.06993	17.1
131.08568	15.0
133.06488	3.3
133.10117	19.5
135.08044	3.9
135.11682	7.1
137.05989	1.5
141.07019	2.8
143.08563	11.1
145.06454	4.8
145.10110	14.1
147.08025	5.4
147.11664	28.4
147.12769	2.6
149.09615	3.1
149.13243	24.4
151.11145	1.9
153.12730	1.7
155.08542	2.0
157.10118	3.7
159.08029	2.1
159.11656	11.1
161.05972	3.2
161.09579	3.6
161.13246	10.8
163.11148	2.8
165.09032	1.5
166.36940	1.5
169.10168	2.2
171.08096	1.6
171.11673	28.5
173.05940	1.9
173.09621	2.7
175.11166	2.5
177.12721	6.6
179.14180	3.0
189.09106	2.2
189.12776	11.3
193.12239	3.1
195.08023	1.7
195.13792	6.4
197.09605	2.7
197.13205	1.5
207.13782	26.5
211.11275	2.2
213.14813	2.5
225.14923	3.3
227.12685	3.2
231.13914	2.0
261.09760	1.5
269.17551	1.8
289.14270	2.3
304.26440	2.0
364.20181	2.3
365.20877	4.1
383.22073	10.3
386.71512	1.3
401.23251	4.4
457.25040	6.8
472.57632	1.5
475.31149	57.6
476.30994	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51937	1.1
51.02380	2.1
53.03939	8.2
54.82721	1.1
55.01868	5.3
55.05505	27.8
57.03430	7.3
57.07069	3.7
59.04991	1.4
65.03934	6.3
67.05494	97.8
69.03423	2.4
69.07055	28.1
71.04987	5.7
71.62088	2.2
73.06557	2.3
77.03939	1.1
77.47203	1.3
78.04718	1.5
79.05482	99.6
81.03405	13.3
81.07043	100.0
83.04961	13.7
83.08601	16.2
83.09001	1.5
84.85828	1.2
85.06554	4.9
91.05465	72.6
92.05783	1.3
93.07030	89.0
94.07346	1.4
94.47194	1.1
95.04953	29.2
95.05507	2.4
95.08591	45.7
97.06525	11.7
97.10173	5.8
99.08104	2.7
105.04546	3.5
105.07012	39.3
106.07384	1.5
107.04956	7.6
107.08574	37.1
109.06525	8.7
109.10139	8.5
111.08057	7.7
115.05444	1.4
117.06989	16.0
117.07684	1.4
119.08561	29.3
119.09406	1.5
121.06490	4.3
121.10111	20.0
121.10851	1.4
123.08059	7.0
123.11738	2.8
125.09634	3.0
127.07565	2.4
127.44016	1.5
128.06239	3.4
129.07007	17.5
131.04959	1.2
131.08542	13.0
133.06499	2.2
133.10103	16.2
135.08076	2.8
135.11681	9.5
139.11133	1.5
143.08543	7.9
145.10089	10.8
147.08063	3.7
147.11652	30.0
147.12691	1.9
149.13231	26.3
149.14304	1.9
151.11328	1.5
153.12862	1.5
157.10176	2.8
159.11665	11.4
161.09616	5.9
161.13231	11.5
163.11209	4.0
163.14928	1.2
169.10208	2.4
171.11678	25.2
171.13026	1.5
173.13287	1.6
177.12816	4.7
179.14453	1.4
189.11166	2.1
189.12700	10.0
195.13803	6.6
207.13803	28.7
207.15651	2.0
217.19467	1.5
225.14954	5.6
227.12805	2.2
266.84158	1.4
269.17645	1.6
281.17542	1.4
304.26590	3.6
383.22043	1.7
457.25449	1.6
475.30746	66.9
476.31400	2.4
487.85220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.0
51.02370	1.4
52.24318	1.0
53.03761	0.8
53.03941	9.6
55.01864	6.3
55.05503	24.8
57.03425	6.2
57.07064	2.7
65.03911	5.3
67.05495	100.0
69.03400	1.2
69.07056	24.0
69.33163	11.4
71.04984	5.6
73.06538	1.5
74.58033	1.0
77.03896	1.3
79.05480	98.5
80.05801	1.9
81.03401	14.9
81.07043	99.7
82.07383	1.3
83.04964	17.5
83.08606	17.2
85.02879	1.2
85.06543	6.1
91.05464	68.8
92.05794	1.2
93.07030	98.9
94.07356	2.6
95.04951	27.0
95.08589	32.7
97.02869	1.9
97.06514	13.9
97.10151	5.6
99.08086	2.6
103.05470	1.8
105.04496	3.2
105.07011	45.0
107.04931	8.0
107.08575	39.2
109.06496	9.3
109.10112	8.1
111.08057	6.5
113.06084	0.9
115.05453	2.5
117.06998	12.7
119.08558	23.8
121.06499	4.0
121.10125	18.3
123.08037	6.1
123.11694	1.3
125.09633	1.3
127.07549	1.2
128.06212	3.8
129.06999	17.3
131.08533	12.3
131.09352	1.2
133.06445	1.7
133.10103	14.7
135.08020	1.9
135.11691	7.7
139.11134	1.3
141.06888	1.6
142.07677	1.4
143.08530	9.3
145.10097	10.4
147.08063	3.6
147.11653	29.5
148.12082	1.0
149.09593	1.8
149.13240	26.9
153.09215	1.0
155.08461	1.5
156.09290	1.3
159.11673	11.7
161.09604	4.7
161.13210	13.2
163.11180	2.2
167.14285	1.3
169.10138	2.2
170.90045	1.0
171.11655	23.2
173.13260	1.5
177.12715	5.5
183.11818	1.1
189.12729	13.6
193.12302	1.0
195.13841	5.5
207.13788	26.3
225.14864	4.3
227.12717	1.6
258.19708	1.0
270.73303	1.0
281.17715	1.2
365.24911	1.3
411.89001	1.3
457.29150	1.2
475.30579	60.0
476.31073	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.3
53.03936	8.5
55.01854	6.1
55.05238	2.1
55.05501	33.6
57.03415	5.7
57.07054	2.4
65.03913	5.2
67.05496	91.6
69.03403	2.7
69.06700	1.9
69.07059	29.3
69.84731	8.1
71.04974	6.4
76.68526	1.2
77.03903	1.5
77.48167	1.4
79.05479	96.6
81.03409	15.1
81.07045	100.0
82.07361	1.6
83.04977	18.7
83.08598	18.8
85.02842	1.4
85.06524	6.1
91.05468	75.6
93.07030	90.5
94.07334	2.5
95.04954	29.7
95.08012	2.5
95.08593	38.8
97.02867	2.3
97.06514	18.1
97.10146	7.3
98.20818	1.8
99.08052	3.2
103.05489	1.5
105.04484	2.5
105.07011	46.5
107.04940	8.8
107.08575	43.2
109.02876	3.2
109.06522	8.1
109.10123	10.9
111.08091	7.5
115.05408	3.5
116.06200	1.6
117.06998	16.3
119.04962	1.9
119.06084	1.2
119.07760	1.8
119.08571	27.6
121.06457	6.4
121.10120	20.4
123.04479	1.5
123.08043	7.7
123.11668	3.4
125.09571	3.5
128.06189	3.4
129.06992	18.0
131.04930	2.0
131.08551	16.2
133.06459	3.5
133.10100	18.8
135.08044	3.5
135.11673	10.0
137.05890	2.2
139.11183	1.5
141.06937	3.1
142.07776	1.6
143.08568	10.7
145.06450	4.4
145.10110	13.7
147.08044	4.1
147.11670	31.3
149.09578	1.6
149.13229	25.8
151.11131	2.2
155.08478	3.3
156.09273	1.5
157.06456	1.5
157.10092	2.5
159.08043	2.6
159.11656	11.7
161.05942	6.2
161.09596	6.1
161.13202	10.3
163.11142	4.4
165.09071	1.5
169.10092	3.4
171.07988	1.6
171.10229	1.4
171.11676	24.9
173.05898	1.6
173.09593	2.3
173.13196	1.4
175.11227	1.8
177.12737	4.7
178.06224	1.6
179.14264	2.2
181.08556	2.0
183.08031	1.3
185.13239	2.4
189.11163	2.1
189.12700	7.8
190.13649	1.3
193.12184	2.0
195.13744	5.3
197.09613	1.7
197.13240	1.7
199.11044	2.0
207.13788	25.4
211.11177	1.5
222.69348	1.3
225.14828	3.4
227.12538	1.6
231.13647	1.4
243.13757	1.6
271.13297	1.4
278.50500	1.5
289.14352	5.0
294.57669	1.4
331.04419	2.1
355.22513	2.9
361.09274	1.9
365.21042	3.6
383.22137	16.8
401.22858	7.5
427.09860	2.8
431.24240	2.0
457.15060	6.4
457.24927	8.4
475.16202	11.4
475.31155	53.7
476.15674	2.0
476.30951	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.3
51.29592	1.4
53.03935	11.5
55.01856	3.6
55.05271	2.3
55.05503	26.6
57.03434	3.8
57.07053	2.5
57.68013	1.6
65.03920	5.1
67.05495	93.6
69.03397	2.3
69.07054	27.1
71.04971	5.2
71.27030	3.6
73.06540	2.9
79.05481	100.0
81.03429	8.6
81.07046	93.6
83.04961	15.6
83.08615	15.8
85.06521	5.8
89.16020	1.4
91.05466	68.2
93.07029	89.3
94.07344	2.3
95.04965	22.0
95.08591	36.6
97.06526	11.8
97.10144	4.1
99.08083	3.8
105.04531	2.0
105.07011	41.6
107.04949	8.4
107.08574	41.1
109.06493	7.0
109.10140	6.7
111.08055	7.6
117.06998	17.8
119.08573	25.4
121.06490	3.4
121.10105	15.1
123.08031	6.8
123.11648	3.0
128.06245	2.8
129.06990	16.9
131.08543	12.3
133.10106	15.8
135.08075	2.1
135.11687	7.5
143.08536	5.9
145.10092	8.5
147.07985	3.1
147.11665	34.7
149.13231	28.7
159.11679	13.1
161.09630	3.4
161.13234	9.1
171.11671	26.2
177.12746	5.2
189.12711	11.1
189.59142	1.7
195.13786	6.7
197.36398	1.6
207.13795	24.2
225.14850	3.4
281.17648	2.1
294.46832	1.7
423.34222	1.9
475.30481	64.3
476.30838	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	475.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01875	9.2
55.05507	38.2
55.91887	1.7
57.03412	8.3
57.07064	3.8
59.84942	1.6
65.03915	2.8
67.05498	42.5
69.03410	6.4
69.07066	12.1
69.55075	12.0
69.55489	3.9
71.04960	2.7
75.32257	1.7
77.90825	1.8
79.05031	2.5
79.05487	41.1
80.53644	1.8
81.03406	29.4
81.06609	2.7
81.07050	37.6
83.04964	6.8
83.08617	19.1
85.06532	3.6
91.05473	35.0
93.07034	28.3
95.01343	2.2
95.04960	19.2
95.08600	24.3
97.02879	3.0
97.06545	12.9
97.10160	17.2
99.04408	1.9
99.08070	2.1
100.20899	1.7
102.03762	2.5
103.05411	2.0
105.03353	3.1
105.07021	23.0
107.04935	13.2
107.08589	21.4
109.02866	8.0
109.06491	7.2
109.10142	17.5
111.04463	2.2
111.08082	4.3
115.05449	4.3
117.07014	14.2
119.04906	5.7
119.08553	16.0
121.02850	2.6
121.06500	11.4
121.10117	10.5
123.04385	4.5
123.08051	7.9
125.02340	5.2
125.06033	2.1
125.09612	13.9
128.06203	3.8
129.07008	16.0
130.07622	2.5
131.04906	7.0
131.08551	11.1
133.06467	7.8
133.10117	7.0
135.04353	4.4
135.08064	8.0
135.11700	11.1
137.06006	3.0
137.09564	3.2
141.06958	5.6
143.08589	9.4
145.06494	13.7
145.10083	15.1
147.04413	5.1
147.08057	8.8
147.11679	4.7
149.05956	5.0
149.07347	4.0
149.09637	5.3
151.07475	2.3
153.09131	2.9
155.08516	6.4
157.06454	6.2
157.10118	7.7
159.04372	3.7
159.08037	8.7
159.11719	4.8
160.05186	2.6
161.05949	27.3
161.09641	5.0
163.11169	14.8
165.06949	2.9
165.09131	2.9
167.08575	3.4
169.06534	3.3
169.10110	5.6
171.08052	6.4
171.11684	2.8
173.05962	7.3
173.09630	9.8
173.13199	2.6
175.07574	3.4
175.11143	3.7
178.06218	6.5
179.06996	2.5
181.06505	2.3
181.09978	2.0
181.12312	3.7
183.08130	2.9
183.11731	4.9
185.05901	2.2
185.09525	2.3
186.01546	2.3
187.07568	3.8
187.11182	3.9
189.09114	3.6
189.11214	6.5
191.10689	4.2
193.10373	1.8
193.12221	7.6
195.08057	2.4
195.11765	2.2
197.13370	1.9
199.11084	2.7
201.09177	2.6
201.12701	3.3
203.14326	2.5
205.12132	3.1
207.11687	2.1
213.12730	4.0
221.13458	2.7
225.12764	3.0
227.12726	12.7
229.12289	3.5
230.30707	1.9
231.13757	6.9
237.11084	2.7
239.10628	3.3
243.13805	5.5
247.13216	2.2
253.12155	2.1
255.13965	2.0
267.06723	2.2
269.15378	5.1
271.13226	5.1
273.14890	8.6
287.16370	3.7
289.14334	19.8
299.16391	2.9
303.16071	2.9
313.06750	2.9
315.05032	5.4
331.04404	2.5
337.21408	3.7
341.06549	8.1
344.08899	2.6
345.09723	7.4
345.21835	3.1
347.20056	2.7
355.22528	7.6
356.08612	2.6
361.09137	3.9
365.21146	19.6
371.11090	13.4
382.96851	2.2
383.22128	82.7
384.22449	4.2
393.24054	2.8
401.23175	35.0
411.25305	1.8
417.87808	2.2
419.24362	4.1
421.23599	4.3
427.10138	3.5
431.24338	9.8
439.24677	12.2
457.15369	15.2
457.25815	57.3
466.25208	1.9
475.16263	32.4
475.26819	100.0
476.27173	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	475.1593
Annotation	tryptoquialanone
Peak:m/z	Relative Intensity
55.01878	1.1
58.38334	0.8
59.18547	0.7
67.05485	1.0
67.63519	0.9
69.07054	1.0
69.98162	3.2
69.98572	1.5
79.05465	1.8
81.07036	1.3
88.23210	0.7
91.05483	4.7
95.04958	2.1
103.05453	1.5
105.03368	0.9
105.07021	1.1
107.04944	3.5
115.05427	1.3
117.07015	1.9
119.08559	5.5
121.02851	2.3
121.06513	1.3
121.10209	0.8
123.04412	1.1
123.08051	1.0
128.06256	0.9
133.06476	2.4
135.04430	1.7
135.08054	3.4
136.05281	1.0
137.05888	1.0
139.07469	1.0
143.08572	0.9
145.06451	2.3
147.04419	1.7
147.08081	1.0
149.02318	1.5
149.05957	6.4
151.03900	0.8
151.07535	5.5
153.05437	3.9
154.06223	1.1
154.73048	0.9
159.08023	1.3
161.06032	1.4
163.03889	4.5
163.07529	2.7
165.05440	2.6
166.06206	1.2
167.07034	4.3
168.07797	5.5
173.05974	1.5
175.03867	1.1
175.07559	2.3
177.05498	4.0
178.06221	15.5
178.07762	1.1
179.03439	1.0
179.07025	7.8
181.08565	5.8
187.07578	1.3
189.05544	1.0
189.09222	1.0
191.03387	3.0
191.06972	4.5
192.07658	1.2
193.04953	2.5
194.09419	1.6
195.06499	6.1
195.08006	1.0
201.05396	1.4
205.04926	4.8
205.08513	1.0
206.05838	1.0
209.07979	1.7
213.05441	1.0
219.06519	2.3
223.07440	1.0
227.06850	0.9
228.07870	1.3
229.08542	1.2
237.05464	1.0
239.07057	1.0
239.10698	0.8
241.05151	1.5
241.08327	1.0
249.09183	0.9
251.07130	3.7
253.05025	0.9
253.08542	0.9
255.06619	1.2
255.10144	1.1
257.04352	1.1
257.07996	1.1
263.07040	1.7
265.08612	2.6
267.06558	1.7
267.10071	1.1
272.06689	1.1
273.07504	4.2
277.08438	1.2
279.06598	1.6
279.09824	1.1
280.07190	1.2
281.08099	2.1
281.11761	1.1
282.08981	1.3
283.06009	3.5
283.09314	4.0
284.06979	1.0
284.10309	1.2
285.07526	2.6
285.14758	1.1
291.06537	1.0
293.08060	2.1
294.08780	1.1
295.06195	1.5
295.09628	2.6
296.06772	1.7
297.07681	1.9
297.11148	1.5
298.08432	2.9
298.11954	0.8
299.05887	1.5
299.09137	5.0
300.09772	1.4
301.10797	1.0
307.06146	1.1
307.09705	2.4
309.07495	2.8
309.11185	2.9
311.05539	0.7
311.09116	18.4
311.12540	1.4
312.09814	1.2
313.07150	2.0
313.10709	8.4
314.07794	1.8
315.08453	1.2
321.07526	1.4
322.08450	0.9
322.12018	1.2
322.92081	0.9
323.09207	2.2
324.06134	1.2
324.13596	1.2
325.07156	1.7
325.10736	3.8
326.07773	0.8
326.11404	12.4
327.08563	2.7
327.12308	3.0
328.09412	1.7
329.10196	2.7
335.09094	2.3
337.07089	1.3
337.10693	3.0
339.08536	2.6
339.12189	1.7
340.13098	1.2
341.10126	3.6
341.13788	22.3
342.07211	1.8
342.10757	2.3
342.14380	1.8
343.11713	2.1
343.15369	2.8
351.12057	1.7
352.13223	1.1
353.10068	2.1
353.13934	4.5
355.08066	2.7
355.11813	1.8
355.15558	1.6
357.09604	1.8
357.13287	3.3
359.11179	1.1
365.10175	3.4
367.07874	1.0
367.15424	1.8
369.09570	1.4
369.13400	8.0
370.10040	1.0
370.13947	2.6
371.11096	1.3
371.14957	11.7
375.63150	0.8
381.09708	2.4
383.14893	3.5
385.08676	1.1
385.12607	5.0
385.16977	0.9
386.13626	1.0
387.10565	1.5
395.14749	1.7
399.10718	2.3
400.11032	1.0
401.11694	0.9
401.16141	2.5
411.14349	2.9
413.12061	3.1
413.16006	4.3
414.13055	1.0
427.10605	1.3
429.15378	22.2
439.14008	3.2
457.14905	81.9
458.15176	4.5
475.15970	100.0
476.16290	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	475.1595
Annotation	tryptoquialanone
Peak:m/z	Relative Intensity
62.31740	0.4
69.03413	0.7
70.06060	2.6
70.06579	1.1
79.05510	0.8
79.99242	0.5
80.17757	0.5
85.02911	0.5
90.98432	0.4
91.05480	2.1
95.04955	1.0
97.02885	0.5
99.04489	0.7
105.03374	0.6
105.07050	0.9
107.04943	1.3
111.84755	0.4
115.05422	0.6
117.07012	0.5
119.04979	0.5
119.08567	1.2
120.08077	0.5
120.15388	0.5
121.06483	0.4
123.04449	0.6
125.05929	0.5
125.99945	0.4
131.04907	0.6
133.06499	1.3
135.04381	0.7
135.08066	2.0
136.05205	0.8
137.05919	0.5
137.33228	0.4
139.07529	0.8
147.04422	1.1
147.07993	0.5
149.05972	1.2
151.07547	2.0
153.05460	1.2
157.06491	0.6
161.06027	1.1
163.03877	1.7
163.07430	0.6
165.05501	3.5
167.07027	4.9
168.07831	1.6
173.06003	0.7
175.07574	1.3
177.05475	1.5
178.06252	6.6
179.03326	0.6
179.07040	2.9
181.01103	0.5
181.08621	1.9
191.03355	0.7
191.07025	2.1
193.04962	2.1
193.08572	0.6
195.06502	4.1
205.04836	2.4
213.05383	0.6
219.06505	1.1
221.04442	0.9
223.07582	0.8
225.09164	0.6
227.16487	0.6
229.04832	0.5
229.15530	0.6
249.05447	0.7
249.09184	0.5
251.07088	0.8
253.08754	0.5
263.06912	0.6
263.10648	0.6
264.04367	0.6
264.07739	0.4
265.08685	0.8
267.06873	0.4
267.10303	0.5
269.08066	0.7
270.05267	0.6
270.08893	0.6
271.09589	0.6
279.06448	1.0
280.07202	0.6
281.08206	1.8
281.11752	0.4
283.06018	1.2
283.09558	1.0
285.07596	0.5
286.08185	0.5
291.10110	0.7
293.08124	1.1
295.06015	1.6
295.09537	1.0
297.07712	1.0
297.11011	0.8
298.08377	0.8
299.05490	1.7
299.09131	1.3
301.14319	0.6
307.06094	0.8
307.09467	0.9
309.07550	1.8
309.11221	1.6
310.08228	0.5
311.05746	0.5
311.09128	2.0
313.07135	1.2
313.10757	3.0
314.07977	1.2
321.07510	1.2
323.05518	0.9
323.09167	0.7
323.12756	0.9
324.05923	0.8
324.09964	1.2
325.03415	1.0
325.07114	0.8
325.10797	1.3
326.07962	0.7
326.11560	1.1
327.08658	2.8
327.12201	0.9
328.09149	1.0
329.10233	3.3
329.13547	0.8
335.05643	0.7
335.09244	1.1
337.07101	1.8
337.10806	1.2
338.07684	0.7
339.08560	1.8
339.12320	0.9
340.09567	0.8
341.06473	1.4
341.10178	1.3
341.13657	2.3
342.10992	1.3
351.05005	0.7
351.12363	0.7
352.09503	1.2
353.02893	1.1
353.06473	1.1
353.10251	3.2
354.03641	1.0
355.07950	3.1
355.11780	0.6
356.08786	1.0
357.13364	5.0
365.10251	2.1
367.07977	1.1
367.15506	1.1
368.12549	0.9
369.05988	15.8
369.10007	0.9
369.13504	1.4
370.06445	1.4
370.10538	2.9
372.08362	2.1
373.09091	1.8
380.08609	0.9
380.12848	0.7
383.07004	0.8
383.15106	1.0
384.08337	3.9
385.12671	7.1
387.10599	0.9
395.10892	0.8
395.15384	1.0
397.13116	0.6
399.10648	0.5
401.12225	11.0
402.12549	0.9
411.14420	1.2
413.11731	13.0
413.16199	2.8
414.12552	1.0
427.10510	0.7
429.15668	3.0
439.13919	3.5
457.14917	31.6
458.15112	2.6
475.15973	100.0
476.16370	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	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	19.0
57.03419	1.0
57.47770	0.7
59.90871	0.8
63.57178	0.7
69.03418	2.6
69.52431	6.7
70.39697	0.7
71.01390	0.7
72.47681	0.8
79.06097	0.7
84.08148	0.7
84.96017	4.6
85.02905	4.3
87.80459	0.9
97.02889	5.2
97.96789	2.4
98.97572	100.0
110.97556	11.2
112.99116	2.1
115.97813	1.6
116.98607	62.9
119.04934	1.5
127.03902	1.4
128.98593	18.7
131.00166	4.6
134.99643	27.1
136.06232	0.8
137.05957	2.5
140.00168	2.4
140.98615	0.8
143.00148	2.5
144.98119	0.9
146.99646	14.8
147.04362	4.2
149.01208	2.3
150.06770	2.7
153.00703	1.5
158.01257	1.5
158.99641	21.1
161.01250	4.3
161.02374	0.8
162.06740	3.1
162.99139	1.2
165.00708	1.8
170.01338	0.8
170.99605	4.4
177.00681	25.4
179.02310	1.1
182.06815	1.0
189.00739	5.0
193.01689	0.9
195.01726	2.0
197.01199	2.3
200.02319	1.2
200.74812	0.8
200.99103	0.9
201.00763	3.3
208.00481	0.9
208.27022	0.8
211.02695	0.9
212.00009	5.5
213.00636	1.4
213.04237	1.6
219.01750	24.9
223.02798	2.3
226.01485	4.3
227.02219	4.7
229.04341	0.8
230.00992	2.7
231.05074	0.9
235.02776	13.7
235.04912	1.4
237.02773	51.2
238.01431	6.0
240.02980	1.2
241.03831	15.1
242.03343	1.5
244.02553	1.3
245.03304	3.0
250.26791	0.8
251.02190	5.2
253.03798	18.5
255.01622	1.4
255.03923	3.7
256.02521	3.4
259.04874	4.4
260.02048	1.9
260.04333	1.8
261.86176	0.8
263.04391	1.1
265.03885	2.1
269.03268	19.5
271.04871	10.8
277.03824	12.3
278.03214	1.6
279.05368	2.3
287.04312	4.8
289.05829	1.2
292.04941	1.2
295.04846	20.9
311.04282	12.3
313.05933	4.3
318.06577	1.5
325.09360	1.1
337.05917	3.5
337.97675	0.8
355.06934	2.5
367.07074	3.3
371.06763	0.8
379.07986	0.8
385.08084	2.4
397.08038	2.1
415.09067	84.0
416.09473	3.2
431.11566	0.9
433.10153	57.3
434.10571	1.9
456.11563	3.0
475.11276	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	475.1592
Annotation	Peperomin F
Peak:m/z	Relative Intensity
55.01860	5.6
55.05492	3.4
57.03436	2.6
67.05506	6.4
69.03410	7.9
69.58931	18.7
71.01374	4.2
71.04976	9.8
73.90948	2.3
79.05474	7.7
81.03417	8.1
81.07037	7.1
84.08155	2.5
85.02895	12.2
85.06543	7.2
86.06750	2.2
86.09679	3.6
87.00810	4.8
91.05457	15.6
93.07048	5.9
95.04954	5.7
95.08636	4.2
97.02905	4.8
97.06522	6.1
99.04446	38.9
103.05502	3.2
105.07046	6.3
107.04893	5.0
107.08593	9.1
109.02860	8.9
109.10154	4.6
115.05379	3.5
117.06988	5.1
119.08553	9.1
121.02876	4.8
121.06498	4.8
121.10124	4.0
123.04420	5.0
123.08049	6.5
125.06041	3.0
127.03893	7.5
131.04910	2.5
131.08583	6.4
133.02895	2.6
133.06447	3.0
133.10115	8.6
135.04472	3.4
135.08092	5.4
137.05983	6.9
137.09569	2.8
139.07610	3.7
141.01770	3.6
143.08598	3.9
145.06476	3.4
145.10138	5.1
147.04388	13.4
147.08064	3.2
149.06003	7.3
149.13252	3.9
151.07515	14.5
153.05431	6.1
157.06433	2.6
159.02856	2.6
159.08156	4.2
161.02350	2.5
161.05983	4.0
163.03885	8.2
163.07565	2.7
165.05511	3.1
167.07050	4.8
168.07828	8.9
169.12222	4.2
173.06003	2.3
173.13187	3.0
175.03891	2.8
175.07526	6.8
177.05434	9.0
178.06201	25.6
179.07106	11.2
181.08655	11.2
183.13850	7.0
185.05991	3.1
187.07559	3.9
189.09094	2.9
191.03378	3.4
191.07065	6.7
191.14313	4.5
193.04944	4.5
194.94188	2.1
195.06497	16.5
196.66512	2.0
197.50729	2.0
201.05441	2.7
203.07039	3.7
205.04950	6.3
205.08611	3.0
206.05644	3.1
207.80556	2.3
209.15340	8.6
213.05446	2.5
217.08458	4.0
219.06358	2.5
221.06137	2.5
227.07176	3.2
227.10677	3.0
227.16376	27.0
241.04953	3.1
245.08069	2.8
251.06947	4.2
252.07742	3.1
255.06451	2.8
265.08688	3.1
281.08240	5.8
281.11423	3.3
283.05933	4.0
283.09741	4.8
284.06985	3.5
287.05518	4.5
293.08121	4.2
295.09833	3.1
297.07587	4.4
299.05530	2.7
299.09323	3.1
299.12494	3.3
301.03476	3.3
309.07611	5.2
309.11240	6.3
311.09055	16.9
313.07156	5.7
313.10831	11.9
314.07718	2.6
315.08511	10.9
317.10339	6.3
323.09009	3.3
325.07220	4.8
325.10733	9.4
326.11462	7.8
327.08630	5.2
327.12375	5.8
329.10248	5.0
331.08173	13.3
335.09119	3.2
337.10699	8.2
339.08661	8.4
341.10150	4.8
341.13913	16.3
343.08188	6.1
343.15390	3.7
351.12137	3.0
352.13211	5.0
353.10193	8.7
353.14050	3.5
355.08124	6.9
355.11877	4.7
355.15561	3.3
357.09702	3.2
359.07703	5.4
360.08563	4.2
361.09033	5.7
365.09943	5.2
365.13934	3.1
367.15399	12.3
369.13467	11.8
371.10883	2.8
371.14951	9.2
380.12949	2.8
381.09457	4.8
383.15012	9.9
385.12640	8.6
385.16663	9.9
387.10669	3.5
393.13492	3.1
395.14969	7.5
397.12830	6.0
401.16431	3.1
411.14404	16.7
413.12112	28.2
413.16034	32.2
429.15393	25.9
431.16614	3.9
439.13815	33.7
445.05609	3.5
457.14859	96.6
458.15338	7.0
475.10400	4.8
475.15970	100.0
476.16412	8.6
493.46548	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
57.07061	4.2
57.48127	1.4
67.05492	25.6
69.03408	1.8
69.07053	13.4
71.04984	2.9
71.66011	2.8
74.55036	1.4
74.58102	1.4
79.05482	15.2
81.03407	2.8
81.07042	30.0
83.04971	2.4
83.08611	7.3
85.02905	1.4
91.05463	25.2
93.07030	22.1
93.16404	1.5
95.04942	4.1
95.08602	24.1
97.06548	2.2
97.10139	3.8
105.07016	30.1
107.08573	15.0
109.06520	1.9
109.10139	11.5
117.07011	10.2
119.08563	31.7
121.10131	9.1
122.35561	1.4
123.11699	4.0
129.06981	2.2
131.08549	18.2
133.10104	19.6
135.11674	4.8
143.08565	5.3
145.10098	14.5
147.11681	12.4
149.13286	2.5
155.08600	2.2
157.10100	3.1
159.11673	10.8
161.13251	5.7
171.08400	1.4
171.11649	4.3
173.13187	7.0
175.14833	3.6
183.11676	2.6
185.13222	3.3
187.14882	2.0
190.39810	1.4
197.13310	1.9
211.14761	1.6
212.44440	1.3
233.78148	1.6
237.18594	1.8
256.26199	2.3
264.95462	1.3
275.19858	1.7
289.21341	1.6
303.23181	2.1
317.24741	2.3
331.26453	2.2
419.33331	2.2
437.34149	9.0
455.35370	10.7
473.36267	100.0
474.36993	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	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71264	0.2
70.06557	0.5
70.17310	1.5
83.06084	0.7
95.06109	0.4
97.02847	0.6
105.03352	0.9
105.05733	0.7
106.06506	0.6
111.05556	3.2
120.04459	2.8
123.05511	0.9
125.05812	0.7
126.06628	2.1
132.04437	23.7
133.05196	0.4
134.05997	4.8
137.04697	2.3
151.06129	10.9
152.04518	0.7
152.89668	0.2
155.60500	0.3
158.05951	0.4
159.05510	0.5
174.06573	0.3
177.04012	0.5
194.06708	4.7
195.07391	0.9
202.09732	2.2
206.06775	0.5
208.08237	0.6
214.09651	0.3
216.11287	0.8
227.09300	0.3
230.09204	1.7
232.10751	0.5
242.09213	5.6
255.08693	0.5
257.07846	0.5
257.10333	5.5
258.08768	0.6
259.11880	11.2
259.14584	0.6
274.12970	0.4
284.11371	3.8
302.12439	16.7
303.12787	0.5
327.11856	2.6
345.13028	100.0
346.13297	3.7
456.16296	1.0
474.17285	9.3
475.17453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05502	14.9
57.07061	4.2
57.48127	1.4
67.05492	25.6
69.03408	1.8
69.07053	13.4
71.04984	2.9
71.66011	2.8
74.55036	1.4
74.58102	1.4
79.05482	15.2
81.03407	2.8
81.07042	30.0
83.04971	2.4
83.08611	7.3
85.02905	1.4
91.05463	25.2
93.07030	22.1
93.16404	1.5
95.04942	4.1
95.08602	24.1
97.06548	2.2
97.10139	3.8
105.07016	30.1
107.08573	15.0
109.06520	1.9
109.10139	11.5
117.07011	10.2
119.08563	31.7
121.10131	9.1
122.35561	1.4
123.11699	4.0
129.06981	2.2
131.08549	18.2
133.10104	19.6
135.11674	4.8
143.08565	5.3
145.10098	14.5
147.11681	12.4
149.13286	2.5
155.08600	2.2
157.10100	3.1
159.11673	10.8
161.13251	5.7
171.08400	1.4
171.11649	4.3
173.13187	7.0
175.14833	3.6
183.11676	2.6
185.13222	3.3
187.14882	2.0
190.39810	1.4
197.13310	1.9
211.14761	1.6
212.44440	1.3
233.78148	1.6
237.18594	1.8
256.26199	2.3
264.95462	1.3
275.19858	1.7
289.21341	1.6
303.23181	2.1
317.24741	2.3
331.26453	2.2
419.33331	2.2
437.34149	9.0
455.35370	10.7
473.36267	100.0
474.36993	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	473.3622
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05505	9.0
57.07063	5.1
67.05493	23.8
69.07059	36.0
69.18255	1.3
71.04995	4.2
71.08615	1.5
71.14687	2.9
71.87807	1.3
79.05491	9.1
81.07046	47.9
83.08610	8.1
85.06580	1.6
91.05442	6.3
93.07031	21.1
95.04939	3.3
95.08592	100.0
97.10161	4.4
99.08103	2.3
105.07009	7.6
107.08581	34.5
109.06511	3.5
109.10140	87.0
111.11697	16.8
113.09634	34.7
116.44947	1.3
119.06123	1.2
119.08572	9.9
121.06500	3.2
121.10127	28.9
123.04470	1.4
123.08061	7.6
123.11694	45.2
125.09657	1.7
125.62299	1.3
127.07558	1.6
131.08543	3.8
133.10124	9.4
135.08070	3.7
135.11676	21.9
137.09660	2.1
137.13239	15.8
139.07535	3.5
140.96565	1.4
141.09087	42.6
143.08572	1.3
145.10104	4.5
147.07953	1.9
147.11688	5.7
149.09639	2.7
149.13249	17.9
151.11163	2.3
151.14796	5.5
153.09119	3.2
157.10162	3.0
159.11717	4.1
161.09749	1.5
161.13243	4.6
163.14809	26.3
165.16373	3.1
169.12155	1.6
171.11693	2.1
173.13292	2.3
175.14844	4.0
177.12833	1.7
177.16409	8.6
181.12265	3.5
182.53163	1.2
187.14803	2.6
189.12674	2.0
189.16362	1.8
191.14249	2.6
191.17926	5.0
195.13786	5.1
203.17902	4.6
205.15822	1.8
205.19470	19.1
207.13910	1.7
209.13315	1.6
209.15382	4.0
212.18436	1.3
217.19568	1.7
219.21098	8.2
221.15338	2.1
223.16899	6.7
231.13776	1.6
233.65239	1.4
237.18591	1.6
249.18527	2.2
273.25705	13.4
277.21545	1.6
285.02039	1.3
297.25803	1.6
306.56631	1.3
314.61099	1.4
315.26791	4.4
333.27811	17.1
409.34677	4.9
427.35852	9.0
437.34122	2.5
451.96887	1.4
455.02951	1.4
455.35187	65.1
456.35458	2.3
473.35800	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	473.3622
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03922	3.0
53.77361	1.6
55.05502	16.9
55.25165	1.7
57.07072	9.6
59.04983	3.2
67.05500	36.0
69.03402	4.1
69.06693	3.4
69.07058	50.5
70.03700	7.9
71.04974	4.0
71.08624	2.0
73.16392	1.6
79.05486	14.4
81.07047	64.4
83.04949	5.3
83.05425	1.6
83.08618	18.9
85.06541	4.4
91.05464	9.4
93.07032	35.0
95.04922	4.6
95.08595	100.0
97.06528	3.7
97.10146	9.4
101.06000	2.0
105.07013	23.5
107.08582	74.7
109.06531	3.5
109.10141	87.2
111.08064	5.6
111.11698	16.5
113.06012	2.4
117.07022	4.2
119.08580	25.5
121.06538	2.1
121.10134	48.4
123.08080	4.0
123.11700	39.1
124.22611	1.7
125.09615	57.9
131.08551	5.5
133.10112	25.9
135.08012	2.9
135.11685	29.3
137.09589	2.8
137.13235	19.3
139.07458	3.2
143.08524	3.5
143.10651	7.5
145.10120	10.1
147.11693	17.0
149.09633	2.6
149.13234	26.9
151.07547	1.9
151.11147	2.7
151.14786	5.4
153.09056	12.2
155.08461	2.1
157.10129	4.5
159.11624	9.4
161.13248	18.3
163.11177	3.5
163.14803	17.9
167.10681	2.8
171.10155	98.7
171.11565	5.6
172.57054	1.8
173.13225	4.9
175.11206	2.1
175.14774	8.2
177.12714	5.7
177.16386	12.3
179.17914	2.6
181.12199	4.3
183.10115	2.2
185.13220	4.2
187.14801	6.5
189.12694	3.7
189.16330	6.0
191.14233	2.1
191.17935	7.8
193.12170	2.8
197.11784	3.8
201.16402	4.1
203.14272	3.0
203.17935	8.7
205.19507	26.1
207.13745	3.1
209.15248	2.1
215.17918	3.3
217.19511	7.4
218.48730	1.8
219.20996	8.0
221.15314	7.8
231.17438	2.3
231.21066	5.0
233.22769	3.7
235.16942	2.6
243.21281	3.0
245.18927	3.1
245.22746	2.3
247.16910	2.1
249.14946	3.3
249.18442	5.6
257.22360	2.1
263.16428	1.8
263.20013	8.7
273.18481	2.4
275.20050	2.0
275.90854	1.8
277.17886	2.8
278.98999	2.0
289.21487	3.6
291.19669	2.8
303.23032	3.2
313.22092	2.3
317.24591	1.9
331.22427	2.2
385.30945	2.5
409.34521	5.3
413.34283	2.5
419.33298	2.5
427.35745	10.2
437.33960	7.4
455.35123	29.9
456.08951	2.1
473.36325	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03938	10.8
55.01856	3.7
55.05502	20.1
57.03416	3.2
57.07043	1.3
60.12921	0.8
64.97016	0.9
65.03915	3.7
67.05495	45.9
69.03405	4.0
69.07056	11.0
69.36583	8.7
69.36995	1.6
71.04967	3.3
73.06534	1.3
77.03899	2.1
79.05480	63.4
79.48066	1.1
81.03405	100.0
81.07043	35.4
83.04974	12.3
83.08604	20.2
85.02912	1.3
85.06508	1.9
91.05466	57.6
93.07031	46.7
93.07484	0.9
95.04952	40.6
95.08592	20.5
97.02860	3.7
97.06506	5.6
97.10160	6.1
103.05429	2.1
105.04492	1.6
105.07011	41.9
107.04935	8.4
107.08570	12.7
109.06497	6.5
109.10139	4.9
111.04418	2.6
111.08078	7.4
113.41554	0.9
115.05434	3.3
117.06998	10.7
119.08563	26.8
121.06481	5.3
121.10103	6.1
123.08063	5.2
123.11680	1.8
125.09583	2.1
127.07553	1.1
128.06183	4.1
129.06985	21.4
131.04916	1.1
131.08540	12.3
133.06477	3.5
133.10097	10.5
135.08035	1.2
137.09642	1.8
141.06993	2.2
142.07771	3.2
143.08545	8.3
145.06496	4.0
145.10124	7.6
147.08017	6.4
147.11665	29.1
149.02362	1.2
149.09596	4.3
149.13269	0.9
155.08626	1.9
157.06430	0.9
157.10120	10.4
159.08101	1.5
159.11624	1.9
161.09589	3.2
161.13237	8.4
163.11055	1.2
165.09106	1.7
165.12703	1.3
167.08690	1.3
169.10097	2.8
171.08086	1.8
171.11667	17.8
173.09647	1.0
175.11180	8.4
179.14253	1.2
183.11652	1.1
189.11194	1.6
189.12659	6.5
193.12209	23.6
205.12135	1.2
207.13768	18.6
225.14758	2.1
229.15683	2.0
249.14839	4.4
281.17386	2.1
363.23328	1.3
381.24326	4.1
399.25458	1.9
403.24979	1.1
417.26398	1.4
455.27884	3.0
473.28934	61.4
474.28677	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	473.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03944	11.0
55.01851	3.5
55.05505	22.4
57.03423	4.4
57.07062	1.2
59.36996	1.1
65.03931	4.3
67.05495	53.4
69.03423	2.5
69.07065	11.7
69.76253	1.6
69.76659	5.7
71.04980	4.3
73.06537	1.5
75.90161	0.9
77.03920	1.2
77.75536	0.9
79.05483	71.5
81.03408	100.0
81.07047	46.5
81.07540	1.7
83.04971	11.7
83.08607	22.6
83.09081	1.7
85.02904	2.4
85.06532	3.3
91.05468	63.3
93.07034	49.0
94.07386	1.2
95.04958	39.0
95.08591	24.0
97.02877	2.3
97.06519	6.6
97.10135	5.5
99.08101	1.2
103.05445	2.3
105.04514	2.3
105.07018	46.6
107.04947	11.3
107.08588	18.3
109.06509	8.1
109.10140	8.0
111.04449	1.9
111.08068	10.3
115.05442	4.0
116.37197	1.3
117.07018	9.8
119.04873	1.4
119.08559	28.9
121.06489	7.1
121.10123	9.1
122.11964	0.9
123.08083	5.2
123.11697	1.2
125.09608	4.4
127.07477	1.3
128.06201	4.2
129.06984	25.1
131.08540	12.8
133.06480	4.6
133.10130	12.6
135.11682	2.8
137.05972	1.0
137.09584	1.9
137.13312	1.3
139.07529	1.0
141.06923	2.4
142.07796	3.4
143.08556	10.2
145.06490	3.3
145.10124	11.4
147.08023	6.6
147.11670	32.5
149.09602	4.6
149.13283	1.0
151.07468	1.2
151.11172	1.7
155.08545	1.7
156.09290	1.2
157.10115	9.5
159.08058	2.2
159.11641	2.2
161.09654	4.4
161.13272	8.2
163.11189	2.1
165.09026	2.1
165.12755	2.8
166.07703	1.1
167.08421	1.4
169.10141	2.6
171.07959	1.3
171.11676	20.7
171.13069	1.9
173.09576	1.8
175.11179	8.1
176.11879	1.5
177.12715	2.2
183.11736	1.1
185.13287	1.3
189.12709	9.6
193.12225	27.4
195.02934	2.8
196.78873	1.1
196.97179	0.9
207.13776	17.9
225.14774	2.2
229.15846	2.8
249.14836	5.7
267.16077	1.3
281.17517	2.0
307.14264	1.1
362.19031	1.8
363.23203	2.9
381.24118	2.9
399.25320	3.1
416.45023	1.2
417.26361	1.2
455.27911	4.1
469.78503	1.1
473.19791	2.3
473.28958	68.6
474.29260	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	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09467	0.5
53.03948	0.9
55.05500	5.0
57.03430	3.5
57.07051	1.8
59.04987	0.9
60.48908	0.6
65.03936	0.9
67.05502	5.5
69.03419	15.7
69.07052	6.8
71.04982	0.9
71.60308	0.8
79.05473	4.8
81.03395	1.0
81.07044	13.2
83.04955	1.5
83.08614	2.9
84.08134	0.8
85.02897	7.9
86.09660	1.0
87.04451	5.0
89.03905	4.6
91.05470	6.9
93.07035	12.7
95.04932	2.0
95.08016	1.2
95.08596	20.4
97.02877	7.8
97.06514	1.6
97.10155	1.7
99.04469	0.8
100.94489	0.6
103.05491	0.7
105.06384	0.4
105.07007	13.2
107.08588	16.7
109.02847	1.3
109.06470	2.5
109.10139	10.8
111.08057	1.2
115.03918	3.2
117.02572	1.0
117.03365	15.4
117.06999	1.9
118.03668	0.6
119.08566	17.6
121.06470	0.7
121.10128	15.3
123.08039	2.7
123.11690	4.6
125.09568	0.8
127.03906	2.7
128.06180	1.0
129.06996	2.3
131.08568	4.1
133.04918	1.9
133.10107	11.4
134.03630	1.4
135.04385	0.6
135.08054	3.2
135.11671	12.7
137.05969	1.3
137.09576	1.5
137.13239	4.0
139.07524	1.0
141.07028	0.6
142.07747	1.3
143.08517	3.4
145.02827	38.5
145.10107	7.6
146.03152	2.3
147.04353	1.1
147.07979	0.7
147.11662	8.0
149.02307	0.7
149.05933	5.2
149.09583	1.3
149.13239	6.7
151.11096	0.8
151.14839	0.6
156.09343	1.3
157.06441	0.6
157.10106	6.9
159.11678	9.8
161.09581	2.7
161.13243	8.8
163.03906	1.1
163.11267	0.9
163.14809	2.9
167.03403	1.2
169.10136	1.4
170.10846	1.8
171.11671	4.5
173.13275	5.0
175.07486	1.0
175.11179	1.9
175.14778	7.0
177.05444	100.0
177.16394	2.0
178.05766	6.3
183.11697	0.8
185.13260	2.8
186.05537	1.2
187.14793	3.6
189.09172	0.9
189.12630	1.8
189.16373	14.8
191.17921	30.9
193.15921	0.8
195.06543	4.3
197.13243	0.8
199.14787	10.6
201.16347	7.5
203.10674	0.9
203.14305	2.5
203.17923	7.6
205.12228	1.1
205.19450	1.2
207.13814	1.1
207.17403	1.0
211.14839	0.9
213.16255	0.8
215.17931	2.7
217.15897	6.7
217.19467	7.0
219.13785	1.2
221.15460	0.8
227.14201	0.7
227.17833	0.7
229.19510	0.7
231.13795	1.6
233.15364	2.3
235.16904	2.6
245.15385	8.3
247.16928	1.0
249.14815	0.6
263.16339	3.7
315.13055	0.7
321.09729	2.7
339.10660	3.9
407.33289	1.0
409.16370	1.1
409.34589	1.1
425.34253	1.3
435.32523	7.4
453.15176	3.2
453.34189	3.1
454.15363	1.1
471.16306	9.1
471.34668	16.7
472.16428	1.9
472.34857	1.1
480.75568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01858	1.9
55.05499	17.4
56.83002	1.5
57.03419	2.7
57.07064	4.8
59.04976	1.8
65.03941	1.8
67.05495	25.2
69.03413	7.2
69.07058	23.7
71.04981	3.6
71.59332	3.0
79.05480	15.3
81.07043	48.6
83.04950	4.4
83.08604	11.6
85.02882	2.6
85.06534	1.8
91.05473	17.7
93.07029	38.7
93.27496	1.3
95.04968	5.9
95.08595	81.8
97.02880	5.3
97.06523	5.0
97.10141	6.9
99.08080	1.6
105.07012	37.8
107.08575	56.8
109.06531	8.3
109.10140	47.8
111.08070	6.8
115.05470	2.0
117.03386	5.5
117.06991	5.1
119.08557	52.2
121.06512	7.3
121.10126	50.2
123.08041	9.1
123.11700	21.7
125.05956	2.0
125.09607	4.1
126.77827	1.5
129.07011	3.9
131.04913	1.8
131.08517	10.6
133.10112	46.6
135.08022	11.5
135.11682	39.1
137.05975	2.7
137.09610	4.1
137.13223	14.6
139.07536	2.5
142.07745	3.7
143.08589	9.0
145.02808	13.8
145.10095	25.9
147.04405	4.1
147.08002	4.0
147.11662	29.4
147.12761	2.8
149.06026	4.1
149.09589	4.1
149.13235	20.6
151.07538	3.7
151.14830	2.2
156.09261	2.0
157.10095	17.1
159.08032	2.7
159.11668	25.0
161.08473	1.6
161.09612	11.2
161.13222	21.8
163.11154	5.7
163.14796	8.6
165.09154	2.7
167.03314	1.5
169.10083	1.9
170.10919	2.6
171.11652	11.3
173.13252	10.7
175.11177	6.1
175.14813	25.3
177.05452	35.2
177.09058	1.5
177.12726	7.9
177.16380	5.1
178.05779	1.6
179.14268	2.6
183.11725	2.4
185.13205	9.5
187.11044	2.0
187.14833	7.0
189.08990	2.9
189.12691	6.1
189.16365	29.4
191.17921	100.0
192.18340	2.8
193.15869	3.9
195.06604	1.9
197.13257	1.8
199.14789	23.2
201.12854	1.6
201.16357	11.8
203.14334	10.4
203.17921	19.7
205.12236	1.9
205.15877	2.7
205.19521	10.4
207.17331	3.9
209.13367	2.4
213.12694	1.7
213.16336	2.1
215.17902	2.1
217.12578	2.2
217.15875	35.2
217.19348	10.8
218.16356	1.6
219.17558	1.9
221.15274	4.2
227.14241	1.8
231.13760	3.5
235.16924	23.9
239.17944	1.6
241.19527	1.6
243.21182	1.5
245.15373	15.2
247.16887	1.6
249.14859	6.5
263.16385	11.6
273.18594	1.8
283.20773	1.7
291.19540	1.6
347.07626	1.7
361.09430	1.9
389.32043	2.2
407.32922	5.8
409.34628	4.6
425.34079	5.1
435.32269	2.2
453.15067	7.9
453.33740	12.9
454.15848	1.9
471.16339	17.8
471.34711	36.8
472.16470	3.3
472.34927	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	471.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.9
57.03426	0.9
60.83834	0.6
69.03418	3.3
70.73088	0.9
71.06306	1.6
81.03422	3.1
85.02895	3.3
85.10566	0.6
87.04447	1.4
94.06547	1.6
97.02883	1.2
98.97565	4.8
99.04418	1.4
100.07606	1.1
101.00853	5.1
109.02857	3.3
115.02409	1.3
116.98586	3.0
118.01097	1.0
119.01909	23.6
120.01934	0.7
121.01640	1.9
127.02353	0.8
127.03928	1.6
128.98598	0.8
131.01906	3.8
133.03458	5.0
137.02956	8.2
138.05457	1.1
139.02399	0.8
142.03415	0.8
143.01871	9.2
145.01627	1.2
145.03452	6.7
146.08105	0.9
146.99606	1.0
151.04469	1.4
155.01913	1.9
156.02579	0.8
157.03456	18.3
158.99695	1.3
159.01367	3.6
159.02531	0.6
159.05037	1.3
160.02148	0.9
161.02933	22.0
163.02704	1.5
163.04530	1.1
167.01901	2.6
169.03474	1.7
170.99655	1.1
171.05000	1.9
173.02953	3.6
175.02950	1.0
175.04503	16.2
177.00652	0.8
177.02419	1.3
178.03387	1.1
179.02242	0.9
179.03944	1.6
181.03394	0.9
182.99576	0.7
183.05031	2.7
184.04524	0.9
185.02945	13.9
187.02707	1.9
187.04491	4.5
189.00697	1.0
189.06061	1.9
191.03877	0.9
196.04453	1.6
197.02975	2.2
198.05927	0.7
199.04451	4.7
201.00723	1.4
201.06044	4.7
203.03969	9.0
204.04124	1.2
205.03783	2.8
207.03523	1.5
215.03976	2.4
217.05563	5.2
219.01799	2.2
220.04445	1.0
221.05045	3.1
227.03993	2.6
235.06570	1.9
237.02650	1.1
241.05571	0.8
245.02768	1.0
245.05057	12.4
247.04878	2.3
249.02542	0.7
250.00769	0.6
257.05008	1.0
259.06644	5.3
260.04022	1.3
261.02704	1.6
263.06082	1.3
271.06653	0.8
275.06125	2.8
277.07709	46.4
278.07874	1.1
279.03952	1.3
291.03558	0.9
295.08710	100.0
296.09073	3.8
305.07242	1.0
318.10327	6.4
321.10242	0.9
323.06543	1.0
323.10269	1.6
337.09760	4.9
347.69543	0.7
351.06540	1.2
355.09451	0.7
365.09149	1.4
411.13461	1.0
429.14392	2.8
471.11670	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	471.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
57.03428	3.5
59.04977	1.0
67.05482	0.6
69.03417	17.1
69.07043	0.5
70.12569	1.8
79.05483	0.7
81.07039	0.5
85.02892	7.2
87.04449	4.8
89.03899	3.9
91.05473	0.6
95.08575	0.7
97.02875	6.8
98.20784	0.6
99.04432	0.4
105.07037	0.6
105.23107	0.4
107.08590	1.3
109.10109	0.5
115.03924	3.4
117.02559	0.9
117.03356	13.8
118.03706	0.6
119.08518	0.7
121.10094	0.5
127.03886	3.3
133.04945	2.3
134.03650	1.2
135.04378	0.4
135.11655	0.7
137.05977	0.6
143.08551	0.4
145.02821	40.5
146.03177	0.8
147.11716	0.5
149.05952	4.9
157.10086	0.5
177.05441	100.0
178.05788	2.9
186.05484	1.2
189.16414	0.6
191.17928	1.0
195.06499	5.3
303.08679	0.5
321.09644	3.4
339.10696	3.7
362.77643	0.4
435.92029	0.4
471.15814	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	471.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68961	0.1
51.02370	0.1
52.05534	0.1
52.47684	0.1
53.03941	0.1
55.01874	0.2
57.02065	0.1
57.03428	3.1
59.04998	0.5
63.02378	0.2
65.03928	0.1
66.44762	0.1
66.46625	0.1
69.03417	15.5
70.03749	0.2
70.05348	0.3
70.05753	0.2
71.01350	0.3
73.02915	0.2
75.04465	0.4
78.04694	0.2
81.03407	0.3
83.04961	0.2
84.59200	0.1
85.02888	6.6
87.04453	5.5
87.04993	0.2
88.04770	0.1
89.03900	4.3
91.05437	0.4
93.03371	0.1
97.02873	6.6
97.06514	0.1
98.03213	0.1
99.04419	0.2
103.05454	0.2
105.03373	0.1
105.40062	0.1
106.04142	0.2
109.02851	0.3
111.04409	0.1
115.03910	3.4
117.03358	14.2
118.03674	0.2
119.04923	0.1
124.05248	0.1
127.03894	2.7
133.04955	2.4
134.03615	1.0
135.04408	0.9
137.05922	0.3
145.02820	40.4
146.03142	0.8
149.05952	4.9
157.06471	0.3
158.06104	0.2
162.03073	0.2
163.03833	0.7
167.03323	0.3
177.05437	100.0
178.05777	2.5
186.05469	0.8
189.09096	0.2
195.06494	5.3
196.06721	0.2
205.04985	0.1
207.06445	0.2
215.06940	0.2
217.08554	0.2
231.06491	0.2
233.08015	0.2
245.08092	0.3
261.07617	0.4
285.07294	0.1
291.08609	0.4
303.08533	0.3
321.09644	3.0
322.09766	0.2
333.07660	0.3
335.09457	0.1
339.10690	3.4
414.35669	0.1
471.14664	0.8
471.21552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.03418	1.5
61.47904	0.5
62.91734	0.6
63.02382	1.0
65.03929	3.9
67.05492	1.9
68.99789	0.8
69.03416	4.9
69.34508	0.5
70.66193	1.8
79.05456	0.9
81.03398	1.0
81.07038	0.7
83.04980	0.8
85.02892	2.4
86.09701	0.6
87.04472	0.8
88.91819	0.6
89.03907	7.8
91.05473	1.7
93.03382	4.8
95.04955	0.8
97.02880	80.6
98.20763	0.6
100.89140	0.5
103.05415	0.8
107.51529	0.5
109.02836	1.3
111.04456	2.6
113.06038	0.6
115.03903	1.0
117.03365	17.9
121.02845	2.0
123.04483	0.6
124.03961	0.7
125.02339	1.1
125.04255	0.7
125.05976	1.0
127.03886	2.0
128.06256	1.3
129.06975	4.5
131.04956	0.8
134.03633	1.8
135.04398	1.9
137.05957	1.9
139.03877	4.6
141.05428	1.8
141.06964	1.3
145.02827	44.1
146.03084	0.8
147.04402	1.2
149.02309	5.3
149.05960	8.4
151.03851	1.5
157.06471	5.0
167.03386	26.9
167.04811	1.7
169.04970	0.7
169.06467	1.4
170.05670	1.1
171.06512	0.8
174.06668	0.7
175.07596	0.8
177.05447	100.0
178.05760	1.8
184.05212	0.7
185.05959	1.7
186.05399	1.2
187.07549	0.8
188.08354	0.9
189.05420	1.4
189.09074	5.3
195.06544	1.7
199.07544	3.5
201.05518	0.6
201.09190	0.6
207.06526	1.5
213.05466	0.8
217.08580	4.3
220.11731	0.9
227.06923	3.4
245.08057	10.7
273.07520	2.0
291.08575	18.1
301.03479	0.7
302.04251	0.9
303.04868	4.7
308.30634	0.6
309.09692	1.5
321.09665	0.7
339.10678	1.2
362.79761	0.6
411.07059	0.7
439.06537	1.4
471.09308	4.8
471.15912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.05511	0.4
55.45418	0.3
57.03428	3.3
59.04990	0.8
69.03419	15.5
69.07012	0.3
75.04469	0.6
81.07044	0.5
85.02888	6.9
86.15472	0.4
87.04460	5.0
89.03895	4.5
91.05453	0.7
95.08551	0.4
97.02879	6.3
103.05421	0.4
115.03208	0.5
115.03916	3.7
117.03367	13.4
120.11912	0.4
121.10174	0.4
127.03902	3.2
133.04926	2.0
134.03616	0.9
135.04384	1.0
137.05954	0.5
145.02831	37.8
146.03125	0.5
147.04324	0.5
149.05946	4.9
158.05911	0.4
161.05908	0.4
163.03830	0.8
164.72798	0.4
167.03496	0.4
177.05443	100.0
178.05811	1.4
186.05441	0.8
195.06465	5.3
257.40598	0.4
260.74792	0.4
321.09613	3.6
339.10858	3.0
453.15475	0.5
471.15939	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	470.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81284	0.6
56.96799	0.7
69.03423	7.8
70.06553	1.7
71.60401	1.4
81.03387	0.8
81.07019	0.8
82.06551	1.6
84.08154	1.3
85.02884	1.1
86.06059	15.2
86.09673	0.9
87.04459	45.3
97.02885	1.8
97.06483	0.8
99.04482	1.0
100.07588	0.8
102.59068	0.7
104.07092	100.0
124.07538	0.7
127.03967	0.8
135.21205	0.7
136.06187	1.0
145.02853	1.0
147.09145	1.3
150.05528	1.1
151.07761	0.9
159.08038	0.9
161.05986	2.7
164.07028	0.8
169.06374	0.8
173.06062	1.3
177.05440	3.8
181.10062	1.6
183.08029	1.6
185.09610	1.8
187.07509	5.4
189.05383	1.4
195.08018	1.6
197.05992	1.5
197.09677	1.1
201.09099	8.0
203.10597	5.8
207.08063	0.8
209.09608	5.4
211.07571	3.0
211.11201	2.2
213.09140	2.4
215.07053	1.5
225.05568	1.0
225.09084	4.8
227.10666	9.9
229.08551	1.6
231.10158	1.3
237.09134	2.9
239.10770	0.9
241.08542	1.1
243.10098	1.5
253.08611	7.1
254.09348	2.6
255.10069	4.0
271.09686	4.0
273.11154	6.5
281.08118	2.0
283.09662	2.9
289.10626	1.8
290.16055	1.4
291.12149	4.6
299.09229	4.4
301.10645	7.3
317.10089	4.1
319.11737	6.1
332.31979	0.8
335.11124	4.6
337.13007	4.3
470.18622	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	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05495	1.0
57.08216	0.7
59.05006	1.2
62.91253	1.2
68.05006	1.1
69.03422	7.6
70.06591	6.6
70.44063	0.8
70.44396	3.4
72.04510	0.8
74.38675	0.8
74.42682	0.9
79.05455	1.2
81.03397	1.0
83.04973	0.9
84.08130	2.7
85.02889	3.0
86.06062	16.2
86.09715	1.2
87.04457	44.3
92.36959	1.0
97.02888	2.3
103.05463	0.9
104.07092	100.0
107.04941	1.0
107.48440	0.8
117.06956	0.9
123.04365	1.1
127.03899	1.7
129.07004	1.4
131.04918	1.7
133.06432	1.1
136.06169	12.5
137.05971	2.9
139.03880	0.9
141.06943	1.2
145.02823	1.1
147.04424	1.5
150.05470	2.6
153.06941	1.8
155.08516	1.2
159.08075	2.0
161.05998	5.7
165.07010	1.3
167.08560	0.8
168.06596	1.7
169.06474	1.9
169.10135	1.6
173.05995	2.1
175.07558	1.0
177.05469	3.0
179.08501	1.4
181.06369	1.3
181.10110	3.5
182.07355	1.0
183.07985	4.0
185.05917	2.2
185.09601	2.6
187.07559	9.7
189.05362	1.9
195.08011	2.4
197.05983	1.5
197.09639	2.6
199.07497	1.3
201.09061	12.3
203.10637	11.3
205.04933	2.0
209.09583	12.0
211.07565	4.7
211.11159	2.5
213.05443	2.3
213.09039	4.8
215.07016	3.8
215.10638	1.7
217.08780	1.4
219.10013	1.4
225.09064	10.0
227.07104	2.1
227.10641	18.1
229.08557	2.4
230.09351	1.7
231.06477	2.3
231.10130	3.1
233.04506	1.0
237.08980	4.1
239.10654	2.0
241.08548	3.3
242.11465	0.8
243.10185	4.0
245.11771	1.9
247.09625	1.2
253.08553	9.5
254.05746	1.0
254.09335	3.8
255.10109	11.7
256.10846	1.9
259.06027	2.5
259.09442	0.9
271.09604	7.1
273.11172	17.3
281.08133	4.1
283.09579	4.8
289.10669	4.9
291.12201	11.6
299.09067	8.0
301.10675	13.5
308.08408	1.1
317.10199	6.0
319.11722	15.2
328.13995	1.5
335.11240	9.5
337.12759	8.7
444.71298	0.9
470.16263	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	471.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
57.03426	4.1
59.04999	0.6
60.38443	0.4
63.02366	0.5
67.05482	1.1
69.03059	0.9
69.03423	15.5
69.07045	0.7
75.04465	0.5
78.57741	0.4
79.05466	0.8
81.03412	0.8
81.07032	1.3
83.04958	1.1
83.08572	0.5
85.02897	7.2
87.04455	6.4
89.03895	4.2
91.05455	0.7
93.07037	1.0
94.41201	0.4
95.08586	1.2
97.02879	6.5
98.20678	1.0
105.07026	0.9
107.08560	1.0
109.06486	0.4
109.10142	0.7
111.08078	0.5
112.45414	0.5
115.03899	3.2
117.03363	12.0
117.07007	0.5
119.08491	1.1
121.06428	0.5
121.10096	0.6
123.08043	0.4
123.11665	0.5
127.03902	2.7
133.04932	2.0
133.10049	0.5
134.03711	0.5
135.04407	1.1
137.06010	0.6
144.65144	0.6
145.02827	37.4
146.03108	0.7
149.05951	4.7
163.03908	0.6
177.05446	100.0
178.05827	1.3
186.05484	1.3
195.06511	5.2
205.15860	0.7
243.06378	0.5
261.07578	0.8
303.08533	0.6
321.09576	3.4
337.97205	0.5
339.10703	4.8
381.16714	1.3
409.16086	1.7
438.43350	0.4
453.14990	2.8
471.16150	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	469.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01867	1.8
55.05504	69.8
56.05816	0.8
56.57119	0.8
57.03421	3.6
57.07064	6.7
65.03920	2.2
67.05496	16.7
69.03423	6.8
69.06683	1.6
69.07058	25.9
71.04987	1.9
71.66135	1.6
73.06547	2.1
78.62720	0.7
79.05486	8.5
81.03397	2.0
81.07047	36.2
82.07404	1.0
83.04964	3.3
83.08619	5.8
84.08107	1.0
85.02880	3.2
85.06540	3.9
89.03902	1.1
90.38063	0.8
91.05467	10.6
93.03384	2.0
93.07035	14.9
94.07342	0.9
95.04964	6.1
95.08596	47.6
97.02882	17.6
97.06521	5.4
97.10158	100.0
98.10452	1.8
99.04402	0.9
99.08073	1.9
99.84613	0.9
101.05984	1.7
103.03920	0.8
103.05466	1.2
105.07022	14.0
105.56549	0.9
107.04932	2.7
107.08584	13.7
109.02843	1.5
109.06497	3.9
109.10146	17.2
111.04444	1.3
111.08041	1.4
111.11708	2.5
115.05434	1.5
117.03331	1.1
117.07003	2.5
119.04921	6.6
119.08569	12.5
119.72754	0.8
120.08067	0.9
121.02856	1.6
121.06516	2.9
121.10129	10.8
122.10462	0.9
123.04385	0.8
123.08045	7.4
123.11700	11.9
125.09623	30.6
126.09982	0.8
127.03884	1.3
128.06201	1.3
129.06993	1.2
131.04903	1.3
131.08562	3.5
133.02864	4.2
133.10098	8.3
135.08046	2.8
135.11673	6.8
137.05954	11.0
137.09630	4.0
137.13235	4.2
138.09154	0.9
139.11137	5.3
141.06960	1.3
141.09052	2.1
143.10667	11.8
145.02847	2.0
145.06511	1.3
145.10103	5.0
147.04398	19.3
147.11671	6.6
148.04762	1.4
148.07558	2.6
149.02342	1.3
149.04662	0.7
149.05984	2.4
149.07912	1.1
149.09622	2.3
149.13274	4.9
151.03854	1.8
151.07565	5.3
151.11139	1.9
151.14749	4.2
155.10574	1.7
157.10060	1.4
157.12213	1.7
159.08032	1.0
159.11664	7.0
161.06013	1.1
161.09628	1.4
161.13234	7.8
163.11179	1.7
163.14792	1.8
164.07005	1.0
165.05432	0.9
165.09149	1.3
165.12772	4.1
167.03368	3.6
167.07018	1.3
167.14288	3.1
169.06451	1.4
169.10081	0.9
171.10103	1.6
171.11746	1.0
173.05988	2.6
173.13225	3.8
175.03963	1.0
175.07562	2.0
175.11162	1.4
175.14850	2.4
177.05423	5.8
177.12724	4.0
178.13496	1.6
179.14279	11.1
181.06531	1.6
182.07269	1.1
187.07547	1.5
187.14827	3.6
189.05469	1.2
189.11201	3.6
189.12794	1.6
189.16374	1.2
191.07076	1.2
191.14287	2.0
193.15858	0.8
195.13794	1.9
201.05469	5.4
201.12766	0.9
201.16338	2.6
203.14331	1.1
204.04091	1.1
205.06427	1.4
205.15849	2.0
213.05452	2.0
213.09087	2.4
215.06895	2.1
215.14146	1.1
219.06470	2.8
219.17433	1.8
221.15289	1.3
223.05687	1.0
223.07593	1.3
229.15900	1.0
231.06447	1.6
241.08522	2.1
247.16893	1.5
257.22641	2.1
265.08606	1.5
265.18469	1.0
267.21185	1.1
269.08066	3.1
271.11725	2.6
273.13281	13.2
275.23624	6.0
277.08585	1.4
285.22168	2.3
287.14813	0.9
293.24655	1.6
297.07541	2.6
299.11435	2.1
301.12741	20.9
302.13068	1.6
303.13477	2.0
303.23138	9.3
304.13712	4.2
307.09903	1.8
315.08569	2.5
315.14346	3.1
321.24200	14.5
325.10538	1.8
325.57733	0.9
335.09067	1.3
337.10666	2.5
393.13333	1.7
407.24512	2.0
423.14481	2.5
433.25839	3.7
439.13760	1.4
451.13602	2.4
451.20743	3.3
451.26813	49.4
452.27176	3.4
469.14655	2.4
469.28336	15.9
470.28195	1.3
484.42343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39207	0.4
52.59340	0.4
53.03930	2.2
55.01645	0.4
55.01863	3.1
55.05517	0.4
57.03411	1.2
59.04990	0.4
59.10952	0.4
59.84735	0.4
67.05486	0.5
69.03046	0.6
69.03419	10.1
70.06576	1.0
70.16615	2.1
71.04981	6.2
72.44630	0.4
73.02908	0.6
79.05469	0.5
81.02941	0.6
81.03404	9.0
81.07037	0.9
83.04960	1.3
84.08136	0.4
85.02899	1.1
86.09689	0.4
87.04449	0.5
91.05457	1.0
93.23730	0.4
95.04952	0.7
95.08587	0.7
96.65045	0.5
97.02862	1.4
99.04455	5.6
105.06958	0.5
105.64883	0.4
109.02844	3.1
117.05473	1.8
118.06523	3.9
119.04877	0.4
121.10165	0.6
123.04436	0.9
127.03902	0.7
133.10175	0.4
137.05966	0.6
145.07584	5.5
145.10071	0.5
147.09195	4.1
161.05960	0.5
162.07806	0.5
163.03906	0.6
163.08638	0.9
167.07092	0.5
173.07086	12.0
175.08676	5.2
177.05400	0.7
183.06554	0.6
191.08130	100.0
192.08546	1.9
205.09659	0.5
227.66869	0.4
231.11366	0.4
250.87547	0.4
252.08781	0.5
271.10733	0.6
289.11749	3.9
307.12833	59.1
308.13098	2.0
325.13898	16.6
389.16641	0.5
397.13812	0.8
407.17877	1.1
409.16034	0.7
415.15012	1.0
433.16049	3.9
451.17123	0.8
461.36310	0.5
469.18988	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	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.4
55.01852	23.3
55.05492	30.7
57.03426	12.1
61.02907	10.6
63.05294	5.9
65.03936	7.8
67.05500	45.5
68.99783	16.1
69.03420	71.1
69.07068	39.1
70.52385	6.8
71.04980	68.2
71.60323	9.9
73.02904	13.7
79.05476	41.0
81.03412	53.1
81.07052	100.0
83.04964	16.1
83.08604	15.7
85.02895	84.8
87.00815	32.4
91.05476	67.5
93.07034	86.4
95.04954	25.7
95.08592	88.3
97.02876	64.7
97.06511	20.1
97.10162	9.8
99.04456	13.7
103.03956	12.7
105.01816	14.6
105.07035	88.7
107.08585	78.8
109.02843	22.0
109.06496	26.5
109.10126	72.4
111.04411	16.8
111.08086	8.9
115.03896	14.4
115.05457	7.6
117.07001	25.9
119.08562	84.8
121.06469	22.3
121.10124	64.5
123.04421	20.4
123.08068	17.7
123.11684	36.6
125.09645	17.7
127.03917	30.1
127.11204	31.6
128.06192	8.4
129.01839	14.6
129.07007	16.8
130.07770	6.4
131.08571	41.9
133.06540	7.2
133.10127	71.3
135.04390	10.0
135.07999	12.6
135.11693	46.6
137.05980	22.6
137.09622	17.6
137.13269	8.8
141.06960	10.2
142.07811	13.4
143.08542	25.5
145.05054	11.1
145.06380	11.0
145.10109	52.8
147.08005	7.4
147.11656	62.6
149.05984	9.4
149.09625	7.2
149.13199	22.9
153.05260	6.8
153.12730	19.0
155.08591	9.8
157.10124	39.2
159.08096	7.2
159.11668	69.7
161.09596	9.0
161.13237	27.1
163.07497	14.3
163.11163	11.8
163.14832	7.3
165.06953	10.3
165.09216	7.3
165.12761	13.1
167.03391	8.2
167.07091	8.2
169.10066	14.2
171.11665	18.5
173.06030	12.6
173.09669	10.6
173.13268	20.0
175.07600	8.2
175.11162	23.9
175.14832	16.8
177.05409	13.9
177.12775	10.7
177.16382	9.8
181.06369	7.9
183.11676	16.6
185.09689	12.1
185.13216	13.5
187.14799	15.5
189.03943	9.6
189.09097	10.5
189.12755	10.7
189.16350	33.1
194.85522	6.9
199.14764	13.5
201.03847	9.6
201.05527	15.8
201.12766	9.6
201.16315	24.5
203.17999	23.2
207.11702	11.5
213.16473	8.4
219.06651	7.6
221.18974	11.8
223.14729	7.9
225.12773	13.7
227.17926	11.9
231.17430	12.5
233.18927	13.8
241.15779	11.4
243.13780	10.5
245.18945	14.8
304.79263	6.8
311.20001	25.9
329.21008	18.4
407.50491	7.1
415.21136	7.5
433.22189	17.1
451.22989	12.9
469.10385	8.1
469.24179	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01854	2.9
55.05505	0.8
57.03413	1.9
69.03423	10.1
69.95305	2.2
69.95720	1.3
71.04978	5.1
73.02876	0.7
81.03407	24.2
83.04982	4.5
85.02895	1.6
91.05460	0.8
98.21434	0.8
98.84567	0.7
99.04440	11.7
100.11236	1.4
103.03931	1.7
104.07044	0.7
109.02867	8.1
116.10696	0.9
117.05462	1.9
118.06513	2.9
127.03901	2.3
128.06938	0.7
139.51840	0.7
145.07594	3.3
147.09149	8.8
162.07872	1.1
163.08659	0.9
173.07088	9.4
175.08675	9.6
181.96284	0.6
182.15332	0.9
191.08128	100.0
192.08455	1.0
199.08745	1.1
201.27950	0.7
204.09029	1.1
205.09662	0.7
226.14314	0.6
231.11287	0.9
233.09207	0.9
243.11281	1.1
253.21062	0.6
271.10733	2.7
273.11176	0.7
277.54849	0.7
289.11761	7.8
307.12836	32.7
325.13889	27.8
331.12799	7.5
349.13870	6.9
371.15891	2.7
389.17188	3.0
397.13947	5.0
405.85501	0.8
415.14938	10.1
433.15979	10.4
451.17062	7.0
452.31558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00814	0.6
55.05495	1.3
57.03417	0.6
67.05486	1.8
69.07056	1.1
71.59412	1.4
76.05737	0.5
79.05466	2.4
81.07039	2.5
83.08635	0.7
88.62167	0.6
90.08623	0.6
91.05467	2.8
91.82281	0.6
93.07018	1.7
95.04961	1.0
95.08602	1.5
97.02901	0.6
97.06517	1.3
103.84064	0.5
104.06245	0.9
105.07015	1.8
107.01299	2.3
107.04942	1.9
107.08579	2.2
109.02908	0.6
109.06599	0.7
109.10150	1.3
115.05441	0.5
117.07012	0.7
119.04921	1.3
119.08611	1.4
121.06474	0.6
121.10125	0.8
123.11696	0.6
131.04919	1.0
131.08556	1.0
133.10152	1.0
134.13306	0.5
135.04352	1.0
137.09650	0.5
143.08505	1.1
145.10135	1.0
146.35892	0.5
147.00726	1.9
147.04390	1.4
147.11707	1.0
149.02458	0.5
151.07549	0.7
157.10072	1.2
161.05972	0.9
163.03865	1.3
165.01814	1.1
167.07098	1.1
173.13312	0.6
175.03905	2.1
175.11200	0.8
177.05325	1.3
178.06233	2.4
179.07076	1.4
181.08568	0.7
185.96776	0.6
191.03337	1.3
191.07022	1.1
193.01320	2.5
195.02841	1.4
203.03493	1.4
205.01276	1.1
205.04962	1.3
206.02144	0.8
207.02943	0.7
211.02341	4.2
214.99767	1.5
221.00763	0.6
221.04549	0.7
233.00751	4.7
233.04448	2.1
235.10876	0.6
247.02364	0.8
249.03864	1.1
257.04413	0.7
281.04410	1.0
293.12036	0.7
295.06027	0.7
309.04120	0.8
309.07379	0.8
313.07111	1.0
321.07431	1.0
325.07050	0.8
339.04956	1.2
341.06506	0.7
351.08807	1.3
353.06488	3.2
355.04361	8.4
356.05035	0.8
367.08127	0.8
369.05954	21.4
370.06525	0.7
379.08081	3.3
381.13446	1.2
383.07513	1.6
384.08353	4.2
393.09811	1.1
394.10431	2.1
397.09149	1.7
399.10687	38.2
400.10995	2.5
407.07645	2.7
409.12823	1.2
411.10376	0.9
421.08908	0.9
425.08984	0.9
427.10269	0.8
439.10175	2.2
441.15247	7.9
451.14017	1.4
451.32394	1.2
469.14902	100.0
469.32855	3.2
470.15268	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	469.1491
Annotation	Polycarpine
Peak:m/z	Relative Intensity
51.40974	0.4
55.05497	0.6
57.03408	0.4
60.73681	0.3
67.05488	1.4
69.07037	0.4
70.92451	1.3
79.05476	1.5
81.07037	1.4
86.69618	0.4
91.05487	2.8
93.07029	1.1
95.04922	1.0
95.08597	0.8
103.05449	0.7
103.17989	0.4
104.06242	0.6
105.07032	0.9
107.01304	2.2
107.04959	2.0
107.08564	0.9
109.10178	1.0
115.05435	0.7
115.59923	0.4
119.04941	1.0
119.08543	0.8
121.06484	0.4
124.78602	0.4
131.04880	0.8
131.08562	0.5
133.10152	0.6
135.04393	1.2
135.08058	0.4
141.07034	0.6
147.00754	2.3
147.04404	1.2
147.11678	0.4
149.05928	0.8
151.03903	0.4
151.07504	1.1
153.05460	0.4
161.02338	0.4
162.06648	0.5
163.03896	1.6
165.01805	1.1
165.06969	0.5
167.07021	1.1
171.04373	0.6
171.08089	0.4
171.11394	0.4
173.05945	0.5
173.43033	0.3
175.03889	2.1
176.04652	1.2
177.05476	1.1
178.06207	3.2
179.03441	0.7
179.06996	1.4
185.05986	0.9
187.03903	0.5
189.01959	0.4
189.05342	0.6
191.03372	1.7
191.07030	1.4
193.01324	2.2
193.04967	1.1
195.02875	0.8
197.29408	0.3
199.03888	0.5
203.03365	0.9
205.01346	1.2
205.04869	2.0
206.05701	0.7
207.02809	0.8
211.02359	4.0
211.07695	0.5
213.05405	0.7
214.99771	1.0
217.04959	0.6
219.02870	0.5
221.04381	0.9
231.02943	0.4
233.00760	4.2
233.04251	2.1
234.01091	0.4
234.05228	0.6
235.06020	0.6
236.04639	0.4
241.04869	0.5
243.02731	0.5
245.04390	0.7
247.02396	0.9
249.03989	1.1
253.04793	0.5
267.06451	0.5
270.05331	0.4
271.05762	0.4
279.06421	0.5
281.04459	1.2
281.07700	0.4
295.06058	0.7
297.07526	0.7
298.04010	0.5
305.07983	0.5
309.03992	1.0
313.07016	0.8
317.07990	0.5
323.05460	1.0
323.09055	0.7
324.06174	0.8
325.07022	0.5
327.04880	2.3
333.07526	0.9
335.05505	0.5
337.03391	0.7
337.07004	0.6
339.08911	0.6
341.06790	1.8
351.08633	1.6
353.06458	3.8
355.04385	7.3
355.08127	0.7
356.04852	0.6
365.06281	0.5
365.10315	0.6
367.07922	0.8
369.06003	23.9
370.06494	1.3
377.10129	0.8
379.08093	4.6
381.13599	0.6
383.07504	2.1
384.08365	4.5
385.08868	0.5
391.11880	0.7
393.09607	0.9
394.10541	1.6
397.09244	2.0
398.09857	0.5
399.10715	40.7
400.11075	2.4
407.07385	2.1
409.12643	1.7
411.10580	1.2
421.09198	0.9
423.14465	1.2
425.08716	1.1
437.12332	0.7
439.10004	2.6
441.15417	10.2
442.16025	0.5
451.13657	2.5
453.41425	0.4
469.14890	100.0
470.15247	5.6
486.76743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	39.1
61.02885	2.4
69.03408	7.3
69.52811	4.2
69.53226	12.7
70.06581	2.6
84.08136	2.8
84.96009	10.8
85.02908	10.5
88.99169	2.4
95.06087	1.7
97.02872	12.5
98.97569	100.0
110.97533	11.6
112.99118	3.6
116.98608	56.9
119.01906	3.7
119.04945	3.7
123.77115	1.8
124.07837	2.1
124.99117	2.3
126.05489	4.9
127.03880	3.4
128.98586	21.1
129.48575	1.5
131.00175	11.7
133.01688	5.1
134.99641	29.1
136.06168	4.1
136.07542	3.7
137.05954	7.5
140.00092	2.4
140.98608	3.3
143.00150	6.3
144.98048	3.2
146.99646	18.5
147.04358	10.8
149.01195	6.6
151.02759	6.1
152.98592	5.8
153.00583	2.7
158.01286	1.9
158.99623	36.9
161.01178	16.2
162.99112	3.2
163.02698	2.2
164.07059	2.4
165.00677	5.8
170.99651	10.8
172.97598	1.8
173.01187	2.8
173.02849	2.5
174.99117	2.2
175.02740	7.0
177.00690	53.7
177.05563	2.7
179.02225	4.4
182.08078	11.9
185.01180	4.0
187.02859	2.0
187.04532	1.7
189.00700	13.5
190.98645	2.8
193.03839	5.1
195.01720	4.2
195.05289	2.1
199.02625	2.0
200.02258	3.5
201.00638	5.8
201.04387	2.1
203.02222	3.3
204.27457	2.0
205.03719	2.7
211.02693	3.0
213.00679	5.8
215.02246	1.8
217.03781	3.6
219.01741	33.8
223.01212	3.8
231.01724	4.3
235.04880	3.3
237.02789	76.1
241.03903	1.7
242.03313	1.9
242.88411	1.7
246.48845	2.0
247.01363	2.0
249.02774	3.7
255.03793	5.9
260.04382	2.1
261.02686	3.5
269.05319	6.9
272.07941	2.5
277.05875	21.9
280.06964	3.4
291.03827	3.9
295.06992	76.2
307.12979	6.0
318.08612	4.9
321.05188	2.0
321.08572	2.1
339.09567	2.3
349.04355	2.6
373.08179	5.6
381.07019	3.2
409.10098	70.1
427.11227	44.2
450.12677	6.8
465.77988	1.9
469.12183	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.2
55.01815	0.9
55.05474	0.7
55.19733	0.6
58.09761	0.5
65.03902	0.5
67.05438	0.9
69.07013	1.4
69.40783	4.4
69.70786	0.6
75.05963	0.5
79.05487	3.0
80.04945	1.1
81.03353	1.1
81.05758	1.2
81.07032	0.8
82.06505	2.5
85.02772	0.7
91.05462	3.9
93.05746	0.9
93.07032	9.8
93.07600	1.1
94.06552	10.7
95.04924	1.4
95.07330	12.1
95.08524	1.9
96.08119	20.4
97.02797	1.4
97.06445	2.5
103.05426	1.5
106.06451	0.8
108.04408	1.5
108.08095	10.5
109.08841	1.2
110.09666	42.0
111.09952	1.0
118.06516	0.7
120.08086	24.8
121.06435	1.0
123.06706	2.1
124.07451	0.7
134.05962	1.5
136.07558	2.8
137.05881	1.3
138.09119	44.7
139.09355	0.6
140.06993	1.1
146.05925	2.3
148.07539	8.5
154.08537	1.7
161.07068	4.6
162.05565	0.5
166.08611	60.4
167.08878	1.5
168.06462	1.3
170.09528	0.7
172.11189	0.5
174.05484	0.7
176.06967	0.9
187.08569	1.7
187.12277	0.8
194.07997	0.9
199.08548	0.9
201.10219	4.0
203.11528	0.7
211.08557	0.5
211.12328	0.7
212.10666	0.7
213.10210	1.2
214.10788	0.8
215.08099	1.2
215.11720	2.5
225.10228	1.5
226.10890	0.8
227.08121	1.6
227.11894	1.2
228.08408	0.9
229.09665	2.1
239.11662	1.3
241.09724	1.1
242.10445	1.6
243.11328	2.4
247.14398	1.2
255.11229	3.5
257.12836	3.4
267.11166	0.8
269.07980	0.8
269.12677	1.0
275.13913	5.6
281.12607	0.6
285.12228	5.7
287.13751	0.7
297.12189	3.7
299.13962	4.4
303.13351	100.0
304.13660	5.4
315.13281	14.0
316.13467	0.9
394.20828	0.7
396.18906	0.5
422.20541	0.7
440.21545	1.2
450.20139	3.9
468.21326	24.5
469.21567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92200	0.4
65.03891	0.5
66.91788	0.6
67.05453	1.5
69.07034	0.5
70.09592	2.0
79.05485	2.0
80.04977	0.9
81.03339	0.6
81.05774	0.9
82.06566	2.0
84.67173	0.4
91.05469	3.0
93.07030	6.0
94.06556	7.6
95.04908	1.1
95.07337	7.0
95.08554	0.6
96.08121	15.0
97.02833	1.6
97.06505	1.8
103.05399	1.4
105.05719	0.7
106.06504	1.2
108.04408	1.1
108.08102	6.7
109.08845	1.2
110.09664	27.3
111.09933	0.6
118.06429	0.4
120.04457	0.4
120.08092	16.5
121.06522	0.5
122.05978	0.5
123.06763	1.1
125.19827	0.3
134.05952	1.1
136.07532	2.2
137.05956	0.9
137.83723	0.4
138.05443	0.6
138.09123	28.2
139.09456	0.5
145.13544	0.4
146.05959	0.7
147.01096	0.4
148.07565	5.5
152.07127	0.4
154.08586	0.6
161.07108	2.5
166.08618	38.8
167.03355	0.5
167.08940	0.9
168.06508	0.9
171.04318	0.5
173.10655	0.5
176.07028	0.6
183.09164	0.5
187.08597	1.0
187.12288	0.4
194.07976	0.4
198.09113	0.5
198.60405	0.4
199.08615	0.8
201.10202	3.4
211.08672	0.4
212.10596	0.5
213.10312	0.5
215.08099	1.1
215.11732	1.8
225.10179	0.9
226.10913	0.6
227.08070	1.0
227.11746	0.6
229.09717	2.1
229.13263	1.2
239.11760	0.5
241.13237	0.4
242.10173	0.7
243.11243	1.8
247.14377	1.0
255.11330	2.1
257.12845	2.8
261.12323	0.4
267.11365	1.0
275.13803	4.5
285.12350	3.5
287.13971	0.5
297.12332	1.1
299.13837	0.5
303.13358	100.0
304.13666	4.2
315.13321	5.7
450.19958	1.5
468.21271	19.7
469.21710	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	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62714	0.8
53.03930	0.8
55.05506	14.0
57.03424	1.8
57.07071	33.9
59.04979	3.5
65.03927	1.8
67.05497	100.0
68.05811	1.6
69.03377	0.8
69.07064	9.3
70.75473	1.0
70.75798	1.8
71.04977	2.2
71.08624	25.8
79.05479	3.5
81.07047	26.3
83.08613	16.1
85.06514	2.9
85.10172	13.6
86.66270	0.8
91.05472	6.3
93.07026	2.7
95.08598	25.5
97.10131	6.0
107.08578	2.1
109.10144	80.3
110.10448	1.6
111.08067	3.1
111.11694	1.7
119.08591	4.5
123.11696	4.4
130.23932	0.8
131.93985	0.9
137.09593	3.4
137.13226	1.9
155.10635	4.2
173.11723	28.7
198.31523	0.7
221.22693	0.9
239.23656	8.3
240.23878	0.9
467.37299	83.4
468.37692	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17831	0.8
55.05503	12.8
57.03419	1.6
57.07068	36.0
59.04998	4.8
59.19781	1.0
65.03922	2.6
67.05498	100.0
68.05814	1.4
69.07063	10.7
70.24433	3.0
71.04979	3.3
71.08250	1.6
71.08624	23.4
71.99464	0.8
79.05494	2.2
81.07053	27.9
81.57658	0.9
82.07330	0.8
83.08611	14.1
84.43517	0.9
85.06533	1.7
85.10184	12.6
88.75213	0.9
91.05466	6.3
93.07041	3.4
95.08594	24.0
97.10160	5.6
107.08600	1.7
109.10144	71.2
110.10458	1.0
111.08067	2.9
111.11745	1.0
113.90567	0.8
119.08585	5.3
123.11696	4.1
133.80963	0.9
137.09604	3.1
137.13251	2.7
151.14813	1.4
155.10634	4.4
173.11720	25.4
196.94319	1.1
239.23636	8.6
268.12103	0.9
287.43372	1.2
313.27451	1.1
330.88959	1.0
336.32001	1.1
386.75809	1.1
467.37292	85.2
468.37802	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	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.4
57.03422	2.6
57.06807	1.8
57.07070	31.3
59.04984	4.0
65.03914	2.7
67.05494	100.0
69.07043	6.9
69.56487	11.3
71.04971	3.9
71.08262	1.8
71.08621	28.6
79.05504	2.3
81.07048	27.0
83.08602	13.4
85.06522	3.2
85.10173	11.0
91.05484	6.8
93.07037	3.3
95.08592	25.4
97.10148	5.2
100.59819	1.3
107.08569	2.3
109.10141	73.2
111.08062	2.5
112.21638	1.3
119.08568	4.7
123.11688	4.3
125.13215	1.6
137.09569	2.9
137.13254	2.4
155.10667	3.0
173.11694	19.1
191.73840	1.3
212.51492	1.3
239.23595	8.5
467.37247	73.3
468.37683	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	1.1
55.05506	13.1
57.03419	1.6
57.07068	38.2
59.04977	3.8
65.03928	2.9
67.05495	100.0
68.05836	1.5
69.07062	10.1
70.29935	4.0
70.32937	0.8
71.04977	2.8
71.08267	1.5
71.08626	23.4
79.05473	2.5
81.07047	29.0
83.08610	17.0
85.06534	3.1
85.10169	12.0
89.86652	0.9
91.05470	5.7
93.07048	4.2
95.04967	1.1
95.08595	27.1
97.10159	5.2
101.00756	0.9
105.06964	0.9
107.08572	2.5
109.10140	78.8
111.08070	3.2
111.11680	1.4
117.48531	0.9
119.08540	4.8
121.10063	1.3
122.63381	0.9
123.11704	4.9
125.13261	1.1
137.09590	2.9
137.13205	1.5
155.10620	3.8
173.11726	25.9
221.22501	1.1
239.23689	8.2
308.86377	0.8
454.67917	1.1
467.32330	3.3
467.37283	83.2
468.37714	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.05507	4.5
58.91397	0.2
65.03933	0.6
67.04240	2.6
67.05502	0.4
67.21816	0.3
67.63729	0.3
68.05024	0.4
69.07080	0.3
69.77869	0.3
69.78915	0.2
70.68317	0.6
70.68684	0.6
79.05482	0.6
80.05010	22.3
81.05790	7.9
81.07040	0.9
82.06573	100.0
83.06908	0.8
84.08128	0.7
85.02889	0.5
91.05478	0.6
93.05794	1.1
93.07047	0.6
94.06580	0.3
95.08601	0.4
96.04504	0.3
97.02879	0.7
97.06536	0.8
105.07022	0.4
106.06547	1.1
107.07356	0.3
107.08555	0.4
108.08108	38.5
119.04906	0.5
119.08572	0.4
122.86415	0.3
123.09181	0.9
123.11742	0.3
124.09969	0.7
127.03851	0.4
135.08046	0.3
137.05975	1.0
147.04408	1.5
149.05971	0.3
163.03880	0.3
177.05511	0.7
178.06230	0.5
181.53255	0.3
185.03203	0.4
191.07013	0.7
193.08571	1.0
228.06540	0.4
234.34041	0.3
243.21518	0.3
303.05258	0.3
312.05991	1.4
314.06583	0.5
328.08163	1.1
330.06107	0.7
340.08273	0.8
342.06082	0.9
343.08200	0.7
345.08963	0.4
359.09863	0.5
360.10751	4.2
364.08142	0.4
368.07700	0.9
370.13089	0.7
372.10986	1.4
390.09634	0.7
395.11343	0.4
398.12244	2.6
419.12656	0.4
420.14325	0.7
424.13770	1.2
449.17142	1.7
467.18112	42.6
468.18423	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	467.1544
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
50.45068	0.5
55.01870	0.4
57.03403	0.4
61.02899	0.6
64.91156	0.4
65.03925	0.8
69.03409	0.8
70.14526	2.1
77.03929	0.4
79.05494	1.1
81.03422	0.7
82.76682	0.4
85.02893	1.3
91.05462	1.4
94.04163	1.5
95.04953	1.0
97.02888	0.6
103.03912	1.3
105.03346	0.5
107.04935	1.9
109.02872	0.7
111.04392	1.1
119.04965	0.8
121.06469	1.1
122.03644	4.2
123.04398	1.5
125.05978	0.8
131.04907	2.2
133.02834	0.9
135.04391	2.9
137.02376	1.2
137.05956	100.0
138.06267	1.7
145.06441	0.5
147.04402	1.8
149.02281	1.6
149.05962	7.8
151.03857	1.5
153.05411	1.6
157.02113	0.5
159.04411	1.7
161.02333	1.5
163.03929	1.1
165.05481	1.0
167.03372	1.1
167.07030	1.2
171.04381	0.6
175.03915	2.6
177.03975	0.9
177.05447	12.0
179.03406	4.3
187.03902	1.1
189.05399	0.9
191.03467	0.5
201.05469	0.7
203.03427	2.4
203.06749	0.4
205.04918	0.9
207.07814	0.5
215.03329	1.3
217.04871	0.5
223.07452	1.2
229.04887	0.9
233.04439	0.9
245.04396	1.3
253.08459	1.0
255.26733	0.6
263.05420	1.5
269.08078	1.1
271.09622	1.4
283.09561	0.6
287.09195	0.5
287.13858	0.6
295.09680	0.6
295.59552	0.5
299.09134	1.1
303.04971	2.1
305.14664	1.3
311.09204	3.4
317.10712	0.5
325.10632	1.6
329.10147	8.0
337.10715	0.7
347.11124	0.8
353.10233	5.5
354.10748	0.6
365.10037	2.5
383.11148	1.5
395.11203	1.4
402.77695	0.5
407.07385	0.6
413.12109	0.9
439.18042	0.5
449.08698	0.5
467.10205	1.2
467.17426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1542
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
66.04704	0.4
70.95203	1.2
78.96093	0.4
79.05479	0.7
85.02887	1.3
89.03921	0.5
91.05482	0.6
94.04182	2.5
95.04977	0.7
103.03920	0.7
107.04930	1.3
111.04442	0.6
122.03629	6.6
123.04403	0.6
125.05965	0.5
131.04895	1.3
135.04390	3.0
137.05957	100.0
138.06302	2.1
147.04417	1.1
149.02222	0.4
149.05965	15.7
153.05507	1.5
159.04395	1.1
161.02380	0.6
167.07010	0.7
175.03900	0.5
177.05452	29.6
178.05807	0.8
179.03369	1.3
187.03906	0.6
203.03407	0.7
205.04837	0.5
213.12749	0.4
283.09641	1.7
299.09274	0.5
301.10855	0.5
311.09067	5.4
325.10608	1.3
329.10248	2.3
347.11273	0.7
353.10226	1.8
365.10196	1.3
371.11523	0.5
383.11063	0.9
395.11307	0.8
413.24796	0.4
467.11301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
54.20160	0.4
55.01865	0.8
56.56471	0.4
57.03425	0.6
65.03933	0.6
69.03426	1.1
69.58427	3.6
70.06576	1.1
73.02896	0.5
79.05471	1.4
81.03410	0.5
85.02913	2.0
86.06059	0.8
86.09686	1.1
89.03893	0.7
91.05460	0.9
94.04165	2.0
95.04929	1.2
97.02866	1.4
97.06513	0.7
98.20740	0.8
103.03918	1.1
105.07061	0.6
107.04945	2.0
111.04427	0.9
115.69482	0.4
117.03404	0.8
117.07038	0.5
119.04952	0.6
120.08164	0.5
121.02885	0.7
121.06503	0.7
122.03633	6.1
123.04433	3.6
124.07567	0.9
125.05972	0.6
131.04918	1.0
135.04404	3.1
136.07512	0.5
137.02351	1.9
137.05960	100.0
138.06296	1.7
146.06013	0.5
147.04417	2.5
149.05959	15.6
151.03917	1.0
153.01842	0.6
153.05444	1.9
159.04425	1.3
161.06030	0.7
163.03915	1.0
165.05412	0.6
167.03419	0.6
167.07094	0.8
173.05957	0.7
175.03946	1.0
177.05452	29.7
178.05794	0.4
178.20181	0.4
179.03474	1.1
179.08675	0.5
183.07970	0.6
189.05424	0.8
191.03349	0.6
201.05367	0.8
203.03360	1.1
207.02907	0.4
209.05975	0.5
213.05478	0.8
215.03406	0.6
217.05029	0.7
223.07533	0.6
227.07042	0.7
229.04971	0.8
233.04601	0.4
241.08702	0.6
241.13394	0.5
245.04547	0.6
251.07117	0.7
256.10956	0.6
257.04306	0.8
257.08118	0.6
259.14413	0.6
269.12814	2.0
283.09668	1.6
287.13937	2.1
301.10553	0.9
303.04962	6.4
304.05286	0.8
305.05527	1.7
305.15060	0.6
311.09109	5.0
325.10712	1.0
329.06696	0.7
329.10077	2.6
347.07455	0.6
347.11215	1.1
353.10172	2.3
365.10309	1.2
377.10080	0.6
395.11331	1.1
401.16373	0.5
407.07434	1.2
414.62802	0.4
449.09012	0.7
449.18063	1.5
467.09848	4.4
467.18173	2.5
475.78568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1543
Annotation	Symplocoside
Peak:m/z	Relative Intensity
53.03940	1.6
55.01859	2.0
55.05484	0.7
57.03423	1.1
61.02904	1.2
61.57723	0.5
65.01829	0.5
65.37964	0.6
67.05482	1.9
67.43880	0.5
68.90091	0.7
68.99784	9.5
69.03426	3.2
69.07047	0.8
70.06579	1.7
70.83606	1.8
71.01266	0.5
71.04986	0.7
72.08164	0.6
72.30640	0.6
73.89849	0.7
76.94273	0.6
77.03923	0.6
79.05478	2.7
81.03400	3.3
81.07047	10.6
85.02899	7.7
87.04457	1.1
89.03918	0.8
91.05467	3.0
93.07017	4.0
95.04956	6.2
95.86913	0.6
97.02882	4.1
97.06524	1.8
99.04431	0.7
103.05454	5.1
104.07101	0.8
105.03356	0.9
105.04478	0.7
105.07024	0.9
106.02892	0.9
107.04939	9.0
109.02873	2.4
109.06456	0.7
111.04422	4.3
119.04924	1.0
120.08096	0.8
121.02845	2.4
121.06487	13.5
123.04418	37.9
124.03913	0.9
124.07596	1.3
125.02298	0.8
125.05975	2.6
127.03903	4.4
131.04913	1.8
135.04388	12.3
136.07635	1.1
137.02328	6.6
137.04961	1.1
137.05959	16.3
138.06311	0.8
139.03889	8.3
147.04420	6.2
147.08047	0.8
149.05963	100.0
150.06320	2.4
151.03854	0.8
153.01822	2.8
153.05443	19.0
155.03397	2.4
157.06523	1.1
159.04257	0.7
159.12694	0.7
161.06033	0.8
163.03912	1.8
164.07095	0.9
165.01860	1.4
165.05498	4.5
167.03539	0.7
169.04956	1.7
173.05952	0.9
175.03880	1.1
175.07497	0.8
177.01880	0.7
177.05457	7.3
183.06384	0.8
185.05945	1.2
187.03783	0.6
189.05608	0.7
199.07468	0.9
201.05489	1.3
201.09013	1.0
213.05376	1.1
217.01279	0.7
227.06999	2.3
229.04958	2.5
237.05449	0.9
243.06432	0.7
245.08078	0.8
253.05019	0.8
254.13673	1.3
255.06406	3.0
257.04468	1.7
259.05942	4.6
273.07574	1.6
285.03918	1.5
287.09079	6.4
291.08490	1.3
303.04974	31.1
304.05283	2.4
305.05624	2.3
305.10202	29.0
305.13953	1.1
306.10690	1.3
311.09293	1.1
316.13937	0.8
317.05731	0.7
317.14182	1.3
318.14627	1.2
329.02866	1.6
329.06610	1.9
347.03976	2.4
355.04401	1.7
367.15311	0.7
373.05328	1.2
401.16293	1.4
407.07599	10.0
431.17160	2.0
449.08502	4.6
449.18134	4.3
467.10135	22.5
467.18884	5.0
468.10214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51286	1.9
55.01869	3.0
57.03420	4.6
67.42885	2.0
70.05411	3.7
70.05839	9.1
77.03918	2.9
85.02881	11.8
89.07133	2.8
94.41985	2.3
95.04981	4.4
97.02890	2.9
98.03190	2.8
98.20820	2.9
100.84616	2.4
103.03938	4.4
107.00040	2.2
107.04950	3.2
121.02872	9.5
123.04414	100.0
135.04382	9.8
137.02411	3.4
137.05983	7.3
139.03889	9.6
147.04413	4.6
149.02376	4.1
151.03899	6.2
153.01852	2.5
161.02255	3.7
163.03886	6.9
165.01808	23.8
173.01016	2.2
173.02280	12.3
174.32965	2.3
175.03926	5.4
177.01813	16.9
179.03377	5.6
181.06400	3.7
181.42586	2.1
183.02878	16.2
187.03969	3.6
189.01860	7.7
189.05437	3.2
191.03328	13.4
193.04892	4.0
195.02866	35.2
203.03293	2.7
205.04984	5.4
215.03423	5.2
217.05008	3.6
219.02835	14.1
227.07019	2.5
229.05029	2.7
231.02791	12.2
233.04428	6.4
237.05635	3.5
243.02759	2.6
245.98888	2.5
249.03929	13.5
255.06459	15.8
257.04480	2.8
261.03906	8.9
269.07990	3.1
271.05905	7.2
273.07455	9.1
279.05130	3.8
283.06015	18.7
287.05634	2.7
297.07574	6.2
299.05511	9.4
301.06992	23.8
305.06339	3.1
311.05563	11.5
317.06589	25.4
323.05463	2.9
325.06958	19.7
329.06448	24.5
339.08691	3.2
347.07629	19.3
353.06476	7.6
355.07721	2.8
367.08167	9.5
371.07669	20.0
383.07617	16.4
385.08963	3.1
395.07761	8.4
413.08502	10.8
431.09695	7.9
467.11227	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	467.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
57.03417	3.5
63.42489	2.0
65.03874	2.1
65.66393	2.1
67.05492	2.5
68.99774	5.7
69.86867	11.5
71.43724	2.3
81.03374	2.2
85.02885	9.7
95.04974	2.6
98.20700	3.2
99.49523	2.1
103.03901	4.9
121.02866	11.5
123.04416	100.0
135.04379	7.1
137.02301	3.3
137.06006	2.8
139.03906	9.9
141.01740	3.5
151.03877	3.9
153.01768	3.6
163.03871	8.8
165.01797	24.7
166.41013	2.6
173.02295	12.5
175.03923	3.0
177.01807	15.5
179.03439	3.5
181.06477	5.4
183.02841	14.1
187.03874	4.9
189.01807	7.1
191.03328	11.7
193.04982	2.1
195.02876	28.9
199.07573	2.4
203.03400	2.8
205.04926	4.2
206.46884	2.1
215.03261	3.8
219.02834	15.5
231.02870	15.0
233.04330	6.9
235.64857	2.2
243.02925	3.5
249.03847	12.8
255.06544	12.1
258.05182	2.8
261.03806	6.2
269.04681	2.2
269.08035	3.1
271.06027	3.4
273.07565	10.4
283.05911	13.8
292.51422	2.3
297.07559	6.1
299.05457	7.6
301.07004	24.3
311.05457	11.9
317.06519	27.1
325.07016	16.1
329.06543	27.0
333.92340	2.7
339.08902	2.8
347.07550	21.6
353.06494	4.8
367.08093	8.8
371.07623	20.4
383.07520	21.3
395.07529	7.4
396.08267	2.3
413.08585	6.3
431.09674	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	467.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
57.03423	2.7
62.98519	1.7
63.43176	1.8
69.87954	2.0
70.66009	5.9
70.66348	2.0
75.75772	1.7
85.02894	7.9
88.00476	2.0
97.02869	4.8
107.04923	2.1
115.05468	2.7
123.04407	5.5
128.06271	1.7
133.83426	2.0
141.07013	2.3
143.08516	1.9
145.06436	4.2
149.02295	5.0
153.06969	5.1
155.04941	1.8
157.06467	5.0
161.02330	7.2
161.05989	4.1
163.03893	3.1
165.06891	2.7
167.03505	2.0
169.06467	5.6
171.04417	14.5
171.08029	5.5
173.05937	12.1
176.78194	2.1
179.03380	3.0
181.06459	10.9
183.08054	5.6
184.05191	3.1
185.05957	10.3
187.03932	3.3
187.07468	3.0
189.05424	4.6
193.06511	3.8
195.02899	5.0
195.08101	3.5
197.05943	13.2
199.03920	11.4
199.07549	11.2
200.04677	2.5
201.05428	15.1
202.02075	1.9
203.03337	3.0
203.07066	2.6
209.06009	12.4
210.06569	1.9
211.03912	3.7
211.07504	8.7
212.04642	2.1
213.05431	15.0
214.06313	4.5
215.06996	4.9
217.04987	14.6
221.05995	4.8
223.03970	3.1
223.07547	5.3
225.05435	17.3
226.06088	4.4
227.03351	8.3
227.06966	17.7
228.04149	7.7
229.04935	27.2
230.05663	4.3
231.06503	4.6
235.07504	3.8
237.05421	27.4
237.09047	2.3
238.06102	1.9
239.07005	11.0
240.04178	5.4
241.04953	15.4
242.05771	9.2
243.06471	15.7
245.04463	7.9
245.08258	2.3
249.05490	4.1
250.06186	3.9
251.07059	12.0
253.04962	26.4
253.08766	2.9
254.05704	4.2
255.06474	31.5
257.01950	2.5
257.04407	16.1
257.08081	2.4
258.05231	15.0
259.06000	7.3
260.75113	2.1
263.06998	3.7
265.04944	17.5
265.08359	3.9
267.06372	9.2
268.07306	3.0
269.04382	4.1
269.08051	3.6
271.05978	14.3
273.07434	2.5
279.06421	10.9
281.04456	8.2
281.07953	3.1
282.05261	7.0
283.06012	20.0
285.07651	2.4
293.04556	4.5
293.07922	3.1
295.05908	6.2
296.06754	4.3
297.07657	3.1
299.05597	9.8
301.07065	10.8
303.06418	3.0
307.06021	7.6
307.51462	2.0
309.07224	2.2
311.05496	11.8
311.08688	2.1
317.06522	44.8
321.07602	4.2
324.06342	2.0
325.06979	8.2
329.06543	12.5
335.05573	2.5
339.08521	4.4
347.07593	100.0
348.07904	3.6
349.07217	4.2
353.06345	7.9
355.08047	2.9
371.07581	67.2
385.09225	2.9
395.07138	3.4
401.08618	82.2
402.09042	3.7
406.35751	2.0
413.08664	36.3
431.09637	35.1
449.10767	20.1
467.11850	49.2
468.12537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.2
55.95041	2.1
56.96558	6.8
57.03418	5.2
69.03425	4.3
70.90641	4.4
70.90996	3.2
73.02903	2.4
81.03400	2.4
84.08210	1.7
85.02894	12.9
85.03333	1.7
87.04451	2.2
97.02883	8.5
98.97580	9.4
103.03950	3.6
109.02872	4.0
116.98589	6.3
117.03381	3.0
119.04897	3.9
121.02861	3.0
123.04410	7.9
128.98596	2.2
129.06999	2.6
133.02756	1.9
134.99600	2.7
135.04396	3.5
137.05966	5.5
139.03909	2.0
140.04424	1.8
141.06963	3.5
143.04930	2.4
145.02831	7.2
145.06482	5.9
146.99603	2.4
147.04404	7.8
149.02324	3.2
149.11935	1.9
151.03903	2.0
152.06068	2.6
153.06984	4.9
155.08545	2.9
157.06502	4.4
158.99678	2.0
161.01193	2.8
161.02345	7.9
161.05951	3.2
163.03882	2.8
165.07005	4.3
169.06482	7.4
171.04410	11.1
171.08076	5.5
173.05937	11.9
177.00600	2.1
177.05499	9.7
181.06488	8.0
183.04428	3.1
183.07950	3.1
185.06032	10.1
187.03873	2.7
187.07475	3.8
189.00731	3.2
189.05458	5.0
193.06474	2.5
195.02829	4.7
197.05894	13.6
198.06752	4.5
199.03894	14.2
199.07538	11.4
200.04604	2.7
200.71933	2.2
201.05434	16.2
203.06976	5.7
207.07970	4.0
209.05940	15.9
211.07480	6.6
213.05449	15.7
214.06181	3.3
215.06955	6.7
217.04918	18.4
219.01735	4.1
221.06030	6.1
223.03914	2.6
223.07513	7.0
225.05463	16.3
225.08978	2.5
226.06114	4.8
227.03413	7.8
227.07040	20.7
228.04111	8.0
229.04936	32.6
230.05629	8.1
231.06523	5.1
235.07556	2.6
237.02863	5.2
237.05466	23.0
239.07024	12.0
240.04131	2.9
241.04893	15.4
241.08534	2.6
242.05650	9.8
243.06459	14.5
245.04478	8.1
247.07745	2.3
251.07021	12.4
253.04994	25.6
254.05670	2.9
255.06502	27.1
257.04364	13.6
258.02545	3.1
258.05133	18.8
259.06000	7.2
263.07019	4.4
265.04950	22.0
265.07932	2.5
266.05591	3.8
267.06497	7.4
268.07211	3.6
269.04315	5.6
269.08014	4.0
271.05984	14.9
273.07590	5.4
278.05426	2.2
279.06485	9.6
281.04443	8.8
281.07623	2.5
282.05173	9.7
283.06006	25.3
293.04599	3.0
293.08041	3.2
295.06018	5.8
296.06723	2.2
297.07605	4.2
299.05566	6.1
301.07071	12.6
307.06052	7.7
309.07687	2.9
311.05481	11.0
317.06546	42.8
321.07559	5.4
325.07007	8.7
329.06613	13.9
335.05246	2.9
339.08636	5.4
347.07581	100.0
353.06506	5.7
367.08215	4.0
371.07608	72.7
383.07657	3.4
385.08951	2.7
395.07401	2.6
401.08643	79.4
412.94653	2.3
413.08701	39.8
431.09766	29.5
443.08304	2.8
449.10791	19.8
467.11877	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	466.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
55.50598	0.3
57.06800	0.4
57.07064	6.7
57.97507	0.3
58.06590	2.3
61.13018	0.3
65.03934	2.5
67.05470	0.4
69.03400	0.5
69.07044	0.6
69.72157	2.3
70.06579	16.0
71.04967	0.4
71.08622	2.9
74.06062	0.4
79.05500	0.5
81.07030	0.6
85.10178	0.6
88.07613	19.3
91.05468	0.6
93.07027	0.8
95.04927	0.7
97.06501	1.7
98.21352	0.5
102.09164	15.3
103.01804	0.6
105.07042	0.5
109.10126	0.3
121.02821	1.3
139.03859	1.8
146.11781	0.6
149.02318	61.4
149.03368	3.3
150.02652	1.0
193.04935	58.8
194.05283	1.2
212.23743	0.5
237.07539	64.1
238.07903	1.4
256.26309	49.1
257.26694	1.8
300.28888	2.3
304.05200	0.8
466.31583	100.0
467.31897	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	467.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70308	0.3
56.96521	0.5
60.28927	0.3
67.32538	0.3
71.58226	0.5
98.97546	0.4
116.98580	0.5
134.99609	0.4
177.00888	0.7
192.98679	0.3
198.97842	0.4
203.89111	0.3
210.99898	0.4
216.98885	1.3
219.01962	0.4
222.98062	0.9
234.99959	8.9
236.00063	1.3
240.98846	2.0
253.01044	3.4
254.01149	0.3
258.99960	26.1
260.00006	3.0
261.00110	0.4
261.03015	0.8
264.98770	2.9
273.98669	0.9
274.97879	0.5
277.01004	33.5
278.01154	4.0
279.01059	0.9
280.47968	0.3
282.01431	0.5
282.99936	51.3
284.00034	6.3
284.99881	0.6
291.99750	0.9
292.99612	0.3
295.01917	0.4
300.02631	0.9
301.00995	100.0
302.01114	11.7
303.00848	2.0
304.00873	0.4
316.98819	0.7
319.02014	6.2
320.02167	0.7
324.02585	4.3
325.02667	0.6
342.03519	0.5
343.02301	0.5
359.00098	1.1
364.99289	0.8
383.00101	0.7
401.01157	3.2
402.01089	1.3
403.01083	0.5
406.99936	4.8
408.00607	1.0
425.01035	22.8
426.01227	4.3
428.01205	0.4
443.02176	75.3
444.02322	13.7
445.02213	1.5
446.02032	0.8
457.04141	0.4
461.03360	0.6
466.03751	7.2
467.03586	2.0
485.02396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01854	2.1
55.05500	0.8
57.03434	3.4
57.07058	2.0
59.05000	0.5
61.02924	2.3
67.05498	3.3
68.18491	0.4
69.03422	6.5
69.07062	2.8
69.93828	0.4
70.03577	1.9
70.03992	1.0
71.01346	0.7
73.02907	11.5
76.26470	0.4
77.76568	0.4
79.05484	6.5
81.03410	1.1
81.07045	100.0
82.07384	1.0
85.02891	16.8
85.76150	0.4
87.04456	0.8
91.03959	0.6
91.05472	0.6
93.07036	1.0
95.08592	14.7
97.02879	11.8
97.06517	2.4
99.04459	0.7
103.03914	0.6
109.02882	1.3
109.10141	1.6
115.03908	6.1
126.05700	0.4
127.03901	6.8
133.04950	10.1
133.57356	0.4
137.13234	21.8
138.13573	0.5
145.03043	0.4
145.04935	8.3
145.05956	0.8
150.07581	0.5
154.15961	0.6
159.56912	0.5
163.05991	4.8
165.16692	0.4
193.04971	0.6
223.06047	1.6
241.07014	2.6
259.05789	0.6
259.08087	3.7
277.09198	0.7
284.13956	0.7
295.10287	1.8
323.12720	0.5
356.15875	1.0
466.70587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45964	1.4
55.01861	1.6
55.05488	4.4
67.05486	3.4
69.03398	1.8
69.07063	2.7
70.06585	1.6
71.63719	3.1
79.05482	5.4
81.07031	3.1
83.08614	2.8
91.05431	2.6
93.07037	2.8
95.04942	2.1
95.08588	4.2
96.37053	1.3
97.02871	2.5
97.06544	11.7
97.10159	1.8
105.06989	2.9
107.08656	1.7
119.08527	1.7
123.04420	1.8
123.11677	1.4
141.06995	2.1
143.04886	1.6
144.05615	1.6
145.06425	1.5
146.09627	1.9
147.04391	5.3
147.10413	4.8
153.06967	2.9
153.91277	1.3
155.08485	2.4
160.05176	2.2
160.78197	1.4
161.05956	3.6
162.06718	1.4
165.07021	5.3
167.08496	2.8
168.05704	2.2
172.05121	2.1
173.05995	12.3
174.06723	5.2
175.07533	2.5
181.06456	10.0
183.08023	4.8
185.05943	3.3
186.06726	4.8
188.08286	2.8
189.13629	1.5
189.15068	7.8
193.06546	3.4
194.07254	1.4
195.08060	6.1
197.05954	5.0
198.06717	2.2
199.07483	10.2
200.08307	1.4
201.05470	1.7
201.09087	2.6
205.06569	2.1
207.08131	3.2
207.12398	2.0
209.06042	3.3
209.09515	1.6
210.06650	2.9
211.07542	22.6
213.05466	2.7
213.09106	6.3
219.08070	2.6
221.78561	1.4
223.07512	4.9
225.05547	2.4
225.09065	3.8
229.08540	1.7
237.05486	2.0
237.09151	4.4
239.07039	6.1
239.10619	2.2
241.04932	3.1
247.07423	3.3
249.09042	2.5
251.06981	3.7
251.10767	3.0
253.04912	2.6
253.12277	2.6
255.06560	3.2
256.14575	12.9
257.13077	2.0
261.09167	1.8
263.07065	2.2
263.10632	1.9
265.04880	2.2
265.12308	2.3
266.13043	9.2
267.06506	4.4
277.12097	2.8
279.06549	4.5
279.13812	3.9
283.06024	20.7
284.14026	17.3
293.15308	2.3
298.68930	1.5
302.15057	9.2
303.05057	2.9
303.13364	2.9
304.05466	4.4
304.13400	2.3
318.14792	1.8
321.14914	9.5
323.12567	1.8
323.16321	2.2
325.14377	1.7
326.83026	1.7
331.13144	3.2
332.16660	2.3
339.15903	10.8
341.13992	2.5
346.18005	18.2
349.14313	10.4
351.12140	1.9
359.12598	2.8
360.19812	1.9
367.15323	11.2
376.22696	26.2
377.13788	19.6
377.71698	1.5
385.16467	3.9
395.14853	19.3
403.16711	1.7
413.16037	6.3
422.23294	1.9
448.21158	34.5
466.22226	100.0
467.22650	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	465.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03415	1.7
61.02910	4.7
69.03410	2.9
69.07043	1.8
70.06575	1.3
70.95502	2.4
70.95811	1.5
73.02901	1.9
79.05466	1.4
81.03405	2.5
84.12566	1.2
85.02895	9.5
91.03928	3.2
91.05473	2.3
91.36214	1.1
94.06536	1.7
95.01324	1.4
97.02880	4.7
97.06599	1.3
102.44692	1.2
106.06536	1.7
109.02850	1.5
111.00727	1.3
120.08071	2.8
121.02831	2.0
122.06024	1.4
127.03929	1.3
132.08093	2.2
134.06006	3.0
136.07585	1.8
137.02338	8.0
137.05998	2.0
140.07057	3.5
145.04858	1.6
146.06012	2.1
148.07507	7.7
152.07062	3.1
153.01836	5.5
160.07574	3.0
164.07030	1.7
165.01814	2.7
166.05061	1.4
168.06522	2.9
172.07579	1.2
172.11223	1.4
174.07829	2.7
174.09137	2.1
175.08699	2.0
176.06993	2.6
177.05408	1.4
178.08565	2.3
180.06595	1.2
187.08597	1.9
187.24037	1.3
188.07124	1.7
194.08134	3.9
197.10867	1.4
199.08759	4.8
200.09271	2.2
201.10188	6.7
213.10242	7.1
214.08717	3.4
214.11049	4.2
215.08083	2.0
215.11714	7.6
225.10201	4.5
226.08727	1.6
226.10858	1.6
227.08147	3.7
227.11737	7.5
229.05025	5.1
229.09715	4.1
229.13356	3.2
237.10287	1.2
239.11803	5.1
241.07433	1.2
241.09720	5.4
241.13361	3.7
242.08110	2.3
242.10457	4.7
243.11284	3.5
245.09035	1.6
250.10709	1.4
251.11697	1.4
252.10269	1.8
253.09557	1.3
253.13368	2.4
255.11206	16.0
256.12009	2.8
257.04391	3.5
257.12820	4.4
259.10818	2.7
267.11389	1.6
269.09326	1.2
269.12848	7.6
270.13379	1.3
271.14407	1.7
273.12347	3.4
274.13153	1.3
275.13965	1.7
281.12881	3.6
283.10959	1.9
284.11356	2.0
285.04156	1.5
285.07712	1.6
285.12357	3.6
287.10837	1.7
287.13708	7.4
297.12305	9.5
298.13159	1.8
299.13861	20.6
301.07028	2.5
301.11807	1.8
302.07370	2.0
302.12604	4.5
303.04935	98.0
303.13202	4.6
304.05283	3.5
309.12283	2.8
315.05103	2.9
315.13330	57.5
315.16989	2.8
316.14044	30.0
317.14801	4.3
327.13263	2.4
329.14926	2.0
339.13379	1.6
341.15024	2.0
343.12775	1.7
345.05994	3.3
345.14499	4.9
355.16489	2.9
357.14349	2.1
365.15057	2.2
375.15607	9.0
383.15845	4.1
387.15604	6.0
393.14395	3.4
399.15485	20.9
401.17001	2.3
405.16504	2.3
411.15536	9.2
429.16495	32.3
447.17554	82.5
448.17960	2.2
465.18643	100.0
466.18848	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	465.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05506	9.5
57.03420	6.6
61.02915	8.6
66.16783	1.4
67.05489	13.4
68.70429	1.6
69.03422	6.8
69.07046	10.6
71.04993	3.7
71.59273	3.3
73.02923	2.9
79.05483	10.7
81.03422	4.2
81.07046	50.4
83.04971	3.2
83.08612	6.0
85.02885	10.1
85.06519	3.8
91.03941	5.2
91.05470	15.2
93.07034	10.6
95.04977	3.6
95.08602	14.6
97.02864	5.6
97.06528	15.3
97.10141	6.6
99.04459	1.9
99.08067	3.5
105.07014	23.9
107.04946	1.8
107.08572	12.8
109.02891	2.8
109.06469	4.4
109.10165	3.2
110.72080	1.7
111.04353	2.4
119.08553	18.4
121.02888	3.0
121.10133	17.3
123.08068	4.1
123.11700	23.3
125.09580	2.1
127.03901	3.8
131.08522	3.7
133.10101	4.0
135.11694	2.7
137.02296	4.3
145.10136	2.5
147.11659	49.9
153.01881	4.2
157.10129	2.8
159.11716	2.2
165.01820	2.6
165.12726	21.9
173.05983	3.1
175.07440	1.7
175.11223	3.5
177.05441	4.2
183.13730	2.8
193.12212	2.8
197.06013	1.8
201.05453	3.0
229.04964	6.8
229.14252	8.8
231.02225	2.0
257.04474	4.8
259.08319	1.8
267.15897	32.5
285.16919	96.0
303.04965	100.0
304.05298	5.2
315.05197	2.2
337.14313	1.9
355.15372	2.9
375.21823	1.9
383.14972	1.8
394.14166	2.1
447.27490	2.1
460.13104	1.8
465.15097	2.1
465.21027	7.3
465.28696	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	465.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79792	1.1
55.01857	2.1
69.03416	5.0
69.07018	1.2
71.01617	1.5
71.01933	1.5
77.73584	1.1
81.03414	1.7
85.02885	3.7
85.18991	1.2
90.67222	1.2
94.06583	2.8
97.02897	1.7
106.06532	1.3
107.07272	1.1
109.72440	1.2
115.05639	1.2
118.06534	1.3
119.07265	1.5
120.04465	1.4
120.08096	1.7
121.97452	1.2
122.06003	2.2
124.07546	1.7
132.08072	3.0
134.05972	4.1
136.07565	2.7
140.07005	2.6
146.05980	3.9
148.07532	6.6
152.07063	3.2
157.08809	1.1
158.09616	1.4
160.07587	3.0
161.07033	1.2
162.05460	1.8
162.09261	1.1
168.06549	3.3
172.07365	1.3
174.07875	4.5
175.08688	2.3
176.07037	3.7
178.04845	1.2
178.08640	3.7
185.10751	1.9
187.08711	1.6
188.07043	1.2
190.08661	2.0
192.06566	1.0
194.08109	4.1
199.08682	4.4
200.09413	2.4
201.06625	1.7
201.10213	7.0
202.08716	1.8
202.10742	1.2
213.10187	7.7
214.08656	3.7
214.10965	5.2
215.08211	1.5
215.11749	9.6
216.12329	2.0
225.10202	3.6
226.04240	1.1
226.10739	1.4
227.08093	3.5
227.11710	8.5
228.12506	1.9
229.09644	5.6
229.13289	3.0
237.10246	1.4
239.11713	5.6
240.12378	1.5
241.09698	6.1
241.13278	3.0
242.08214	1.7
242.10526	4.2
243.11295	5.3
246.11092	1.5
251.11787	2.3
253.13301	2.8
255.07852	1.5
255.08310	1.8
255.11209	16.7
256.12012	1.8
257.04706	1.2
257.12833	5.2
259.10641	1.5
260.11304	1.8
267.11093	2.8
269.09268	2.9
269.12820	8.8
270.13516	2.0
271.10568	1.5
271.14526	1.7
273.12347	5.0
274.12897	2.2
275.13922	4.3
279.11392	1.5
281.12683	6.0
283.10654	3.2
284.11609	1.5
285.12421	2.0
287.10605	1.5
287.13812	5.9
288.14465	1.3
293.12897	1.4
295.10635	2.5
297.12317	9.5
298.13104	2.6
299.13895	19.9
301.11908	4.3
302.12546	5.0
303.04990	17.0
303.13284	6.6
304.05054	1.2
309.12357	1.6
311.13959	1.5
315.13342	38.9
316.14072	24.8
317.14789	4.9
323.10400	1.7
325.11737	2.6
327.13324	2.7
337.15628	2.0
339.13474	2.3
341.15030	1.8
343.12790	6.4
345.14297	1.9
355.16614	4.1
357.14536	3.2
365.15158	2.5
369.14511	2.5
375.15466	15.3
381.14288	1.3
383.15970	3.7
385.13467	1.4
387.15445	2.8
393.14163	2.2
399.15521	15.5
401.16910	1.6
403.14944	1.4
411.15552	14.1
419.18234	2.8
429.16534	43.9
430.16830	3.4
447.17587	92.1
448.17792	3.9
465.18661	100.0
466.18719	4.9
485.18564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63338	0.4
57.03423	0.9
60.87324	0.6
61.02897	1.1
64.71940	0.5
64.98730	0.5
69.03413	5.1
70.06581	0.5
71.04939	0.5
71.65627	0.8
73.02888	0.5
79.05467	0.6
81.03372	1.5
83.01333	0.5
85.02894	7.2
87.04432	0.6
91.03892	0.9
94.06528	0.8
97.02880	2.9
99.04418	0.5
103.31329	0.5
109.02844	1.0
121.02873	0.6
122.06029	0.6
123.04363	1.2
125.54686	0.4
127.03883	0.7
137.05930	1.2
145.04848	0.5
146.08400	0.5
146.09615	0.5
168.08105	0.8
169.08884	0.8
170.08281	0.5
170.09584	0.5
180.07933	0.7
181.08763	1.6
182.08339	0.8
182.09753	1.2
183.09116	1.3
184.11111	1.4
185.06955	0.6
194.09653	2.1
195.05487	0.8
195.09076	2.6
196.09929	11.2
197.10641	3.5
198.07777	1.0
199.08618	0.5
205.07707	0.5
206.08354	24.7
207.08818	0.6
209.07065	2.1
209.10704	1.5
210.07828	1.2
210.11478	2.2
211.08646	1.8
211.12267	12.4
212.09322	0.6
212.12549	0.6
213.06593	0.5
213.10138	0.6
220.09918	3.8
221.10725	10.5
223.08623	6.8
224.09401	10.1
225.10205	1.7
226.11015	1.2
227.08122	5.5
227.11812	1.3
228.08852	0.5
237.10146	4.6
238.10982	8.5
239.08038	1.4
239.11760	28.0
240.08646	0.8
240.12123	0.7
241.09676	3.4
252.08888	2.9
254.10423	2.2
257.12778	1.9
267.11246	73.0
268.11700	2.4
271.10809	0.7
272.11536	7.0
285.12296	67.8
286.12585	1.6
287.13806	0.7
303.13351	100.0
304.13748	2.9
334.36206	0.6
465.18701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1752
Annotation	Isomucronulatol 7-O-glucoside
Peak:m/z	Relative Intensity
53.03942	2.1
55.01861	1.3
57.03431	2.4
59.26654	0.3
61.02923	3.3
65.03942	0.4
66.04716	0.5
67.05489	1.4
68.99776	1.3
69.03419	11.2
69.52733	2.6
71.04967	1.1
73.02907	1.8
77.03913	0.5
79.05485	2.8
80.06281	0.3
81.03407	4.5
81.07038	2.1
85.02896	21.7
87.04464	1.9
91.03940	1.2
91.05464	3.5
93.07037	1.3
94.04189	0.8
95.04963	2.6
97.02880	8.2
97.06509	1.4
98.45528	0.3
99.04462	1.8
103.05470	0.9
105.07021	1.3
107.04943	1.1
108.05746	2.0
109.02885	2.6
109.06512	8.8
111.08049	0.6
115.03918	0.6
121.06494	4.1
123.04414	53.1
124.04733	1.0
125.05987	0.9
127.03905	5.4
135.04414	2.2
137.05956	10.9
138.06699	0.9
139.07521	3.1
145.04956	2.8
147.04390	0.6
149.05956	16.5
151.07495	0.5
153.05423	0.4
153.09067	3.6
155.06999	4.3
165.05428	0.8
165.09123	1.4
166.06256	0.3
167.07018	100.0
168.07336	3.1
179.07008	1.4
181.08574	27.2
182.08989	0.8
191.07013	0.5
193.08582	5.7
205.08629	0.3
209.08119	0.6
223.07484	0.3
255.74504	0.3
275.08948	0.5
292.17520	0.3
303.04950	1.4
303.12228	49.9
304.12570	2.6
315.12207	1.1
327.12247	0.4
345.13278	0.7
365.57913	0.3
367.15329	0.4
369.13394	0.6
400.66956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1387
Annotation	Dihydroscoparin
Peak:m/z	Relative Intensity
57.11564	1.3
66.45161	1.2
66.65849	1.3
68.62604	1.3
70.90647	4.2
71.34458	1.2
73.02874	1.5
85.02885	5.0
91.05455	2.3
94.04145	2.7
95.04984	1.3
97.02879	1.5
103.03899	2.1
122.03620	5.7
133.02846	3.2
135.04361	2.6
137.05959	100.0
138.06317	1.7
139.95891	1.4
147.04407	2.5
151.03877	5.8
161.02351	9.0
165.06964	3.2
167.03406	1.8
175.03856	3.0
179.03381	9.8
181.06474	3.3
183.07986	2.1
183.97385	1.2
187.03925	1.6
193.06474	5.8
203.03282	3.8
209.05988	4.4
210.06671	2.6
211.07471	4.0
213.05498	1.7
221.05960	3.4
227.07063	3.1
237.05511	2.2
238.06276	2.8
239.06863	1.8
241.08603	4.9
245.04608	1.4
249.05360	3.0
253.08557	19.0
255.06516	4.3
256.07272	5.3
266.05396	1.4
267.06500	2.1
267.10049	2.6
269.08047	27.8
271.09653	28.6
280.07294	1.6
281.08002	3.8
281.11630	3.0
283.05954	1.6
285.07471	2.6
295.06357	2.4
295.09616	10.0
297.07571	5.3
299.09076	44.9
303.04883	5.7
309.07498	6.1
309.10977	2.7
323.09091	20.6
324.09418	1.5
327.08582	43.1
337.10687	3.7
351.08691	8.9
353.10162	18.1
354.10397	2.0
365.10211	5.5
381.09503	4.5
383.11234	11.2
393.09579	3.3
401.12259	10.8
411.10660	3.6
419.13376	24.9
429.11465	2.3
447.12598	6.9
465.18262	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	465.1746
Annotation	Isomucronulatol 7-O-glucoside
Peak:m/z	Relative Intensity
51.02365	0.2
53.03936	0.8
55.01862	0.6
55.05490	0.3
57.03429	1.2
58.71296	0.2
61.02911	1.1
65.03928	0.5
66.04707	0.5
67.05500	1.6
68.99773	0.9
69.03419	4.7
70.03275	0.6
70.03694	0.4
71.01342	0.3
71.04977	0.5
73.02905	0.7
77.03929	0.5
78.04690	0.3
79.05483	2.8
81.03406	1.6
81.07043	1.6
83.01380	0.2
83.24193	0.2
85.02891	10.9
87.04458	0.9
91.03947	0.5
91.05467	3.4
93.07038	1.3
94.04172	0.8
95.04404	0.3
95.04958	2.8
97.02876	3.0
97.06489	0.9
99.04447	0.7
101.02366	0.2
103.03941	0.2
103.05449	0.8
105.03378	0.3
105.04496	0.3
105.07021	0.6
107.04944	1.0
108.05717	2.9
109.02850	1.3
109.06505	8.9
111.04482	0.2
111.08082	0.5
119.04849	0.2
121.06497	4.7
122.07260	0.5
123.04410	48.4
124.05144	0.7
125.05991	1.0
127.03886	2.3
133.06494	0.5
135.04407	2.2
135.08046	0.3
137.05954	8.8
138.06769	1.0
139.07521	3.8
143.90707	0.2
145.04953	1.2
147.04391	0.5
149.05957	22.5
150.06375	0.4
151.07516	0.5
153.05428	0.2
153.09084	3.6
155.06996	4.4
161.05981	0.3
163.07535	0.2
165.05463	1.3
165.09045	1.1
166.06226	0.2
167.07011	100.0
168.07335	2.1
173.05998	0.2
178.06198	0.2
179.07021	0.5
181.08568	23.4
182.08937	0.4
189.05478	0.4
191.06953	0.4
193.08571	4.5
209.08041	0.4
289.10464	0.2
303.12219	39.0
304.12491	1.3
311.11121	0.3
315.12247	0.5
345.13239	1.0
369.13263	0.5
373.66211	0.2
429.15326	0.2
456.87454	0.2
465.17529	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	465.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35051	1.5
53.03948	1.7
54.71695	1.4
57.03422	1.8
61.02916	2.7
61.53933	1.4
66.68935	1.5
67.05479	2.2
69.03414	4.7
70.97713	1.5
73.02907	2.9
79.05482	3.1
81.03403	4.1
81.07040	3.2
85.02883	9.7
89.03890	4.1
91.05457	3.4
95.04957	2.6
96.53674	1.4
97.02885	4.1
105.06992	2.3
107.08543	1.4
109.02886	3.4
109.06528	7.7
112.16779	1.5
117.03373	14.6
121.02868	1.8
121.06467	3.1
123.04359	1.7
127.03902	23.1
131.04916	1.7
133.06450	2.3
137.02330	2.1
137.05956	100.0
145.02829	30.6
146.72464	1.5
147.04381	5.4
149.05916	7.5
151.03943	2.1
153.01753	1.9
153.05481	2.1
161.05977	3.4
163.03816	2.5
165.01804	1.6
175.03899	4.2
177.05441	70.4
179.03305	1.6
191.03386	6.2
193.04974	3.0
201.05428	4.6
203.03391	2.8
209.76266	1.4
210.02533	1.5
217.04977	3.4
221.04382	2.0
229.04884	3.1
229.49274	1.7
235.07568	1.7
243.03085	1.8
245.04405	6.8
253.08580	2.9
257.04401	4.4
257.12897	2.9
269.07870	2.3
272.11542	1.6
281.08032	3.7
285.07385	2.3
285.12311	24.7
297.07458	15.1
303.04947	44.2
303.07919	2.0
303.13345	16.5
309.07568	10.3
315.08582	14.0
321.09668	3.8
323.09030	3.6
327.08597	27.9
335.09045	1.7
345.09695	5.9
351.08572	14.2
363.08441	12.9
369.09689	17.9
375.08682	2.2
381.09720	11.5
383.15027	1.7
393.09488	9.5
399.11053	2.2
411.10907	9.7
429.11880	9.3
465.18088	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	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
61.02918	5.8
64.13779	0.4
64.41792	0.4
67.83128	0.4
68.99780	0.6
69.03407	1.0
70.14616	2.0
73.02901	1.2
80.61053	0.4
85.02888	4.7
89.63818	0.4
91.03941	3.9
97.02888	2.5
98.20790	0.6
101.88654	0.4
109.02867	0.8
111.00766	0.8
121.02849	0.8
127.03890	1.4
137.02332	4.3
145.04988	0.6
153.01817	4.7
153.02956	0.7
163.03871	0.5
165.01840	2.2
173.05942	0.7
183.02832	1.0
201.05469	1.3
209.44057	0.4
229.04886	4.7
247.06091	0.5
255.17816	0.5
257.04431	2.4
258.54764	0.4
274.04617	0.7
285.03958	0.7
303.04953	100.0
304.05356	5.3
315.04974	1.8
327.04691	0.4
345.05737	1.2
369.05725	1.0
377.77325	0.4
429.08041	0.5
447.09341	0.6
465.10657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03918	0.1
55.01853	0.2
56.96541	0.1
57.03431	0.1
61.02901	0.1
65.03927	0.2
67.01839	0.1
67.05485	0.1
68.99778	0.9
69.03413	0.5
71.58089	0.1
76.56120	0.1
81.03430	0.4
85.02885	0.5
87.04436	0.3
91.05445	0.2
93.03378	0.4
95.04938	0.4
97.02878	0.4
98.97572	0.3
105.03380	0.1
107.04930	0.1
109.02863	0.6
111.00777	1.1
111.04395	0.1
115.03908	0.2
116.98570	0.1
117.07012	0.1
121.02840	1.1
121.06518	0.2
123.04422	0.4
125.05853	0.1
127.03899	0.2
131.04906	0.3
133.04962	0.1
133.06461	0.1
134.03603	0.1
135.04388	0.3
137.02315	4.2
137.05951	1.0
145.02780	0.1
145.06458	0.3
147.04387	0.1
149.02315	0.7
149.05916	0.5
151.03920	0.1
153.01791	4.9
155.04892	0.3
155.40495	0.1
157.06413	0.1
159.04382	0.2
161.05956	0.5
163.03915	0.7
165.01802	2.3
165.05540	0.1
166.02541	0.3
167.03340	0.1
173.05971	0.6
175.03889	0.1
177.00523	0.2
177.01912	0.1
177.05453	0.2
179.03346	0.3
183.02844	1.0
183.04385	0.3
187.03903	0.6
191.03328	0.2
191.07021	0.2
193.05022	0.1
195.02847	0.3
201.05435	2.4
205.04948	0.3
211.03935	0.3
213.05464	0.1
217.04790	0.1
219.03015	0.2
219.06422	0.4
228.04147	0.4
229.04927	5.4
230.05164	0.1
232.03700	0.1
233.04248	0.1
237.07465	0.2
239.03368	0.2
247.05930	0.9
257.04410	3.5
258.04855	0.1
267.02893	0.1
267.11212	0.1
269.07941	0.1
271.09619	0.1
271.48535	0.1
273.11160	0.2
274.04684	0.9
275.05350	0.1
285.03909	1.5
285.07004	0.1
285.12119	0.1
286.04559	0.1
302.04056	0.1
303.04932	100.0
304.05295	3.3
315.05014	0.3
340.99649	0.1
345.05914	0.2
377.01733	0.5
391.13681	0.1
395.02814	0.2
429.16629	0.1
447.09128	0.1
447.17590	0.2
465.10229	0.8
465.18054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.20074	0.3
55.68127	0.4
57.03416	0.5
57.51537	0.4
60.25206	0.4
61.02915	5.6
67.05504	0.4
67.86443	0.4
68.99775	0.7
69.03406	1.0
69.44341	3.4
73.02895	1.2
76.62884	0.3
85.02892	5.7
91.03947	3.7
93.77403	0.3
95.04945	0.4
97.02883	3.3
98.21436	0.7
99.04472	0.4
109.02872	0.4
111.00768	0.9
115.03939	0.5
121.02851	1.1
127.03885	1.0
137.02330	4.1
137.03278	0.7
138.75873	0.3
145.04977	0.3
153.01811	4.3
163.03883	0.9
165.01860	2.0
173.05951	1.0
183.04362	0.5
187.03841	0.5
201.05443	1.6
211.37340	0.4
229.04968	4.8
247.06009	0.5
257.04413	3.0
274.04727	0.6
285.03876	1.6
299.05490	0.4
303.04944	100.0
304.05270	3.5
315.04846	2.6
341.06738	0.4
345.05914	1.9
369.05963	1.2
402.10403	0.4
429.07990	0.5
447.09460	0.6
465.10156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.11911	0.4
51.50161	0.4
54.73054	0.4
57.03431	0.7
61.02920	7.2
67.02522	0.4
68.99785	0.8
69.03396	0.7
69.63629	0.4
69.95255	1.5
69.95692	1.1
73.02883	1.9
81.03387	0.9
85.02895	5.1
91.03936	4.0
97.02888	2.5
109.02847	0.8
111.00781	1.3
121.02851	1.5
127.03905	1.0
137.02322	3.5
153.01794	5.0
155.04912	0.6
163.03894	0.6
165.01808	1.7
173.05948	0.6
173.42586	0.4
174.26166	0.4
175.35190	0.4
183.02895	1.0
191.03276	0.5
192.84700	0.6
195.02869	0.8
201.05362	2.3
219.02922	0.6
219.06406	0.5
229.04939	5.0
247.06003	0.5
257.04401	3.4
263.13403	0.6
274.04672	0.7
285.03961	1.2
302.48495	0.4
303.04947	100.0
304.05246	3.6
401.81369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3775
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
52.89312	13.5
55.05510	22.8
57.07051	35.1
67.05490	28.8
69.07063	80.7
71.08626	29.1
72.64918	13.8
79.05484	37.9
81.07056	74.1
83.08574	19.5
85.10169	22.2
91.05440	23.4
93.07035	66.2
95.08601	100.0
97.10166	18.6
105.07027	40.2
107.08560	70.0
109.10141	46.1
111.11720	16.5
119.08563	56.5
121.10123	48.6
123.11673	34.7
131.08612	22.9
133.10114	37.5
136.82565	17.3
143.07040	30.5
145.10120	50.3
147.11668	30.5
149.13234	21.1
159.11664	31.3
161.13275	34.7
171.11681	20.3
175.14748	14.5
427.35715	39.8
445.36694	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.206
Annotation	Specioseine
Peak:m/z	Relative Intensity
53.03942	0.8
57.03408	0.5
59.19723	0.5
61.02926	1.1
61.78943	0.5
63.20194	0.5
65.03926	0.6
67.01804	0.5
67.05485	1.1
69.03407	1.4
69.07076	1.0
70.06569	1.1
70.60922	0.5
71.04989	0.9
71.62395	0.9
73.02930	0.5
75.11087	0.5
79.05489	1.3
81.03422	1.7
81.07047	1.6
83.04961	0.6
84.08159	0.8
85.02891	2.2
86.09697	1.0
91.05442	0.6
93.07021	1.0
95.04952	1.0
95.08589	1.4
97.02883	1.8
97.06516	3.8
98.06844	0.7
98.09702	0.5
105.01930	0.5
105.07022	1.3
107.04969	0.7
107.08578	0.8
109.02866	0.8
109.06484	0.6
109.10178	0.7
114.35432	0.5
120.08124	0.7
121.10123	1.3
123.04421	2.6
127.03918	1.1
129.06972	1.1
130.06458	0.7
137.06020	0.7
138.05496	3.0
143.08578	0.6
144.08107	0.7
147.04413	1.7
147.08051	0.5
153.01851	0.7
157.10104	0.7
158.09625	3.7
167.07060	1.2
170.09654	1.2
171.10355	1.2
172.11166	3.0
173.12024	0.8
174.19296	0.6
175.07568	1.7
177.05492	0.8
177.16429	0.6
181.12193	0.6
186.12779	1.8
187.13533	11.3
188.14264	0.7
191.30557	0.6
195.08075	0.6
198.12807	0.9
200.14330	0.8
205.10876	0.7
210.06770	0.6
210.12706	0.6
211.07448	0.7
212.14383	2.1
226.15828	1.2
250.09796	0.6
261.09116	1.4
262.09756	0.9
271.02368	0.6
275.10742	1.4
277.12097	0.7
287.05133	0.5
288.10052	0.6
289.12280	1.1
290.12680	0.7
294.14859	1.7
301.07251	1.0
301.10846	1.1
302.03949	1.0
302.07370	1.7
302.11493	1.6
303.04947	6.5
304.13733	0.6
314.11688	0.9
315.12485	1.2
316.13275	3.4
318.15356	0.6
328.13257	2.4
330.14716	2.5
332.16333	1.3
334.18158	0.8
339.12247	0.5
344.16422	23.0
345.17117	2.0
346.17972	1.9
356.16437	0.7
358.17914	6.0
359.18805	1.2
360.19543	0.8
374.21072	23.3
375.21527	1.6
390.16522	1.1
393.12985	0.7
404.18674	0.9
411.14426	1.1
418.20093	1.0
420.21628	1.8
428.18829	0.6
429.15399	1.0
430.16391	0.8
446.19589	32.5
447.19913	1.5
464.20667	100.0
465.21271	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65442	2.9
53.03928	4.8
55.01860	4.5
55.05282	2.3
55.05505	27.6
57.03425	12.1
57.07049	2.2
65.03928	5.1
67.02444	2.1
67.05495	83.4
69.03412	2.7
69.07065	29.3
69.54566	16.8
69.55832	2.2
71.04975	6.5
79.05032	3.9
79.05486	67.4
81.03405	3.6
81.07045	94.9
83.04961	6.9
83.08611	20.2
85.06516	5.5
91.05469	86.3
93.07031	77.1
95.04967	13.4
95.08592	49.1
96.08876	2.4
97.06521	11.7
97.10144	6.7
99.08091	2.3
103.05443	3.1
105.07022	80.1
107.04971	5.8
107.08587	35.8
109.06493	10.1
109.10153	11.8
111.08092	5.8
115.05460	2.3
115.66879	2.3
117.07008	39.2
119.08556	44.8
121.06474	12.1
121.10120	27.7
123.08032	5.2
123.11700	3.8
128.06258	4.8
129.06992	24.6
131.08556	62.4
133.06467	7.1
133.10117	35.6
135.08060	6.2
135.11687	11.1
137.09657	3.4
141.06978	9.6
142.07828	4.4
143.08530	18.3
145.06465	8.3
145.10114	35.2
147.08037	8.6
147.11627	9.4
149.09593	7.4
149.13228	19.3
151.11182	3.0
153.07074	2.5
155.08549	10.6
157.10132	17.1
159.11685	26.6
161.09590	4.4
161.13213	4.4
167.08534	3.2
169.10124	11.5
171.11661	12.6
173.13214	8.5
175.11218	3.9
175.14793	3.9
177.12770	4.4
181.10049	7.3
183.11664	6.2
185.09555	2.7
185.13246	10.2
187.14818	4.3
189.12724	3.7
195.11636	7.6
195.13658	4.0
197.13210	8.4
199.14764	3.3
203.14357	3.2
211.14810	5.3
213.12740	2.5
219.13704	4.3
221.15492	2.5
223.14682	2.8
229.15816	3.5
233.15222	5.8
241.15927	4.4
247.16956	6.1
255.17445	3.3
259.16782	3.9
261.18527	4.2
273.18546	4.8
275.20023	2.6
287.05649	2.6
287.20084	3.9
291.08176	2.6
325.25195	9.1
335.23648	8.6
343.26181	21.2
344.64282	2.4
353.24728	35.8
371.25751	49.8
371.99182	2.4
389.26797	50.7
417.29630	2.8
427.28500	6.2
445.29471	100.0
446.29807	4.3
463.10205	4.0
463.30566	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
55.01864	5.7
55.05504	32.8
57.03432	13.9
57.07061	4.9
57.57230	2.5
65.03918	4.5
67.05495	93.7
67.06473	2.8
69.07059	38.0
71.04964	8.8
71.59129	4.0
74.79231	2.2
79.05039	3.4
79.05487	65.4
80.05822	2.3
81.03377	6.9
81.07047	100.0
83.04950	9.1
83.08619	20.2
85.06541	6.3
91.05467	72.9
93.07037	73.8
94.07357	2.4
95.04964	18.9
95.08592	51.8
97.06517	11.8
97.10123	5.8
103.05484	3.5
105.07014	70.2
106.07326	2.7
107.04935	11.0
107.08582	37.5
109.06480	9.0
109.10149	22.3
111.08079	7.0
113.05994	2.9
115.05424	6.3
117.07003	35.3
119.08564	37.2
121.06549	13.8
121.10121	30.3
123.08055	6.1
123.11763	2.5
125.09593	3.0
128.06235	4.8
129.07002	25.2
131.08553	58.9
133.06462	4.1
133.10098	28.8
135.08034	6.8
135.11664	17.2
141.06941	6.1
143.06897	3.0
143.08563	21.5
144.09012	2.7
145.06422	5.2
145.10120	31.4
147.08014	8.1
147.11682	9.1
149.09583	7.0
149.13217	20.2
151.11137	5.2
155.08543	11.1
157.10130	18.2
159.11661	31.6
161.09557	4.3
161.13263	5.7
163.11140	3.4
167.08514	3.9
169.10124	10.9
171.11723	16.0
173.09613	3.6
173.13232	9.0
175.11128	5.6
177.12740	5.9
181.10101	4.2
183.11700	9.9
185.03593	2.4
185.09607	3.6
185.13213	7.4
187.11166	4.2
187.14809	5.1
195.11772	4.6
195.13792	9.4
197.13213	4.7
199.11134	4.2
201.12669	4.5
201.16441	3.2
209.13237	4.1
211.14789	6.8
215.14317	2.9
219.13805	4.0
223.14920	4.1
225.16415	3.7
233.15089	3.0
237.16455	2.9
246.66467	2.9
255.17294	3.5
259.16882	5.0
273.18362	3.3
287.05386	5.7
325.25217	6.4
335.23553	10.7
343.26193	21.7
353.24640	40.7
371.25723	41.8
389.26767	37.9
400.52362	2.6
427.28329	4.2
445.29437	80.8
446.29703	5.7
463.10294	6.9
463.30573	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01859	6.6
55.05251	1.8
55.05507	37.0
57.03428	13.3
65.03925	5.9
67.05498	99.3
69.03410	3.1
69.07057	33.7
71.04984	7.0
79.05488	81.2
81.03436	3.2
81.07048	97.7
81.46464	1.8
83.04980	10.0
83.08619	16.5
83.80804	1.5
85.06549	7.4
91.05473	100.0
91.91445	1.6
93.06441	3.9
93.07034	81.6
95.04942	14.2
95.08592	56.8
97.06522	13.5
97.10150	5.5
98.20735	5.8
99.08070	3.0
103.05464	4.5
105.07018	87.3
107.04932	8.6
107.08585	36.0
109.06499	8.9
109.10149	14.5
109.22939	1.6
111.08070	8.3
115.05459	6.7
117.07016	42.5
119.04980	2.2
119.08566	55.4
121.06475	10.1
121.10126	26.7
123.08051	6.9
123.11702	3.6
125.09631	5.3
128.06232	7.0
129.07007	31.3
130.07759	3.0
131.08553	70.1
133.06467	5.8
133.10126	33.7
135.08060	7.7
135.11691	14.2
137.09625	3.6
141.06967	10.5
142.07805	3.7
143.08537	33.8
145.06488	6.1
145.10109	36.8
147.08015	10.0
147.11684	7.7
149.09654	7.2
149.13226	12.6
151.11220	3.6
153.06909	1.7
155.08556	15.0
157.10118	21.2
159.08017	4.7
159.11671	21.7
161.09622	6.0
161.13258	5.5
163.11214	2.6
167.08592	5.5
169.10059	15.8
171.08092	2.4
171.11655	15.0
173.09601	2.5
173.13223	13.1
175.11177	3.3
175.14764	2.2
177.12766	5.7
181.10147	8.8
183.11644	12.4
185.09666	2.3
185.13283	7.7
187.11177	3.9
187.14807	5.4
189.12860	2.1
191.14363	2.2
193.12282	1.8
195.11688	5.7
195.13753	5.3
197.13210	10.4
199.14867	5.7
201.12801	2.1
201.16479	3.1
203.14314	1.9
205.12212	1.7
209.13280	5.9
211.14890	6.2
213.12874	2.4
213.16473	2.2
215.14143	2.4
215.17944	2.5
217.15883	2.4
219.13803	3.6
223.14757	3.5
225.16452	5.2
227.14299	3.2
227.17856	1.7
233.15392	5.1
235.14857	2.3
235.16943	2.4
241.15837	2.3
247.17004	6.3
255.17307	3.1
257.18918	2.1
259.16977	6.0
261.18573	5.8
271.17014	2.1
287.20212	2.7
307.24088	3.9
317.22800	2.2
325.25174	9.5
335.23584	12.5
343.26312	23.4
353.24710	51.0
353.28796	3.3
354.25223	2.2
371.25784	61.7
389.26825	63.0
391.25677	1.7
417.30499	2.0
427.28214	5.5
433.05655	2.0
445.29471	76.4
446.30087	2.8
463.10437	3.6
463.30527	59.5
464.30930	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01860	3.6
55.05500	23.3
57.03426	9.8
57.07067	4.4
63.58910	1.1
65.03937	4.6
67.05496	94.6
69.07059	31.0
69.71815	3.1
69.72243	6.7
71.04980	5.5
71.08623	2.8
77.03902	1.2
77.07703	1.0
79.05483	58.1
81.03407	5.0
81.07044	100.0
83.04982	9.8
83.08607	17.2
83.09088	1.9
85.06535	5.4
91.05464	37.6
92.05790	1.3
93.07032	76.9
94.07333	1.1
95.04949	11.3
95.08595	28.9
96.08925	1.7
97.06521	18.6
97.10159	3.4
98.21420	2.5
99.08083	6.4
103.05494	1.2
105.07014	16.9
107.04938	3.3
107.08580	41.1
109.06509	4.9
109.10134	10.8
111.08077	8.8
113.00025	4.6
113.06001	1.5
113.09623	2.0
117.06992	12.2
119.08593	8.4
119.43515	1.4
121.06532	3.5
121.10131	24.2
123.11659	2.7
125.09580	1.7
129.07039	3.2
131.08542	14.2
131.09308	1.2
133.10107	17.2
135.08095	3.4
135.11673	14.6
143.08543	2.7
144.09364	1.3
145.10141	4.7
147.11707	4.1
149.09595	1.8
149.13242	50.0
151.11238	2.5
155.01042	1.6
157.10095	2.4
159.11667	18.6
163.11214	4.7
165.12624	1.6
167.14357	1.8
169.02666	2.6
173.13243	1.8
177.12708	11.1
179.14268	2.6
185.13348	1.5
195.13782	15.8
213.14885	4.1
227.12909	3.4
277.21597	2.0
287.05655	1.9
351.25348	5.5
353.24448	1.6
371.25851	3.7
389.26974	3.0
433.05643	2.5
445.29495	2.9
463.10400	2.9
463.30606	59.4
464.30899	2.2
477.98203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02364	1.2
53.03948	3.8
55.01853	2.8
55.05247	1.0
55.05505	19.7
57.03432	5.6
57.07060	3.0
65.03936	3.9
67.05495	84.8
67.34390	0.6
68.05832	1.1
69.03436	1.7
69.07059	24.8
71.01343	0.9
71.04987	5.9
71.08638	0.9
71.59154	1.1
73.02911	0.9
77.03931	0.6
79.05481	53.8
80.05827	0.7
81.03400	6.1
81.03773	0.7
81.07047	100.0
82.07375	1.2
83.04974	8.9
83.08115	1.2
83.08611	19.5
85.02862	1.0
85.06538	6.1
91.05470	38.1
93.07034	68.5
94.07339	0.7
94.07878	0.7
95.04962	11.7
95.08595	25.8
97.06513	14.1
97.10165	3.2
99.08087	2.5
100.07782	0.7
105.04481	1.0
105.07019	15.8
107.04922	2.0
107.08583	41.1
108.08913	0.9
109.06515	3.6
109.10136	6.6
111.08073	7.8
111.11686	0.8
113.05958	0.9
113.09668	1.2
115.05459	1.3
117.06989	11.2
119.08564	7.7
121.06506	3.1
121.10126	24.0
123.11707	4.5
125.09643	1.5
127.07552	1.4
128.06145	0.7
129.06995	3.4
131.04922	1.0
131.08548	14.2
133.06503	0.8
133.10118	19.3
135.08058	2.8
135.11693	12.2
136.12018	0.6
137.02287	1.0
137.09625	1.3
139.07547	1.1
139.11188	2.0
143.08546	1.6
145.10109	2.7
147.08080	1.0
147.11688	4.9
149.09616	0.9
149.13242	43.3
150.13559	0.9
151.11174	3.0
153.01808	4.8
155.08537	0.9
157.10129	2.5
159.04341	1.2
159.11667	17.5
161.09804	0.7
163.11226	1.1
165.12762	0.9
167.14320	1.4
169.06537	0.6
169.10127	0.9
171.11792	0.8
173.05965	1.4
173.13185	0.9
175.11160	1.8
177.12741	9.0
183.11597	0.7
185.05991	1.0
185.13275	1.2
193.12196	1.5
195.13782	21.8
195.93779	0.6
197.13542	0.7
199.07565	2.8
207.13757	0.7
213.14894	2.8
231.02861	1.4
245.04393	3.3
253.14500	0.7
255.06453	0.7
271.05899	3.4
287.05444	0.9
289.07098	1.5
297.07681	1.9
298.04651	0.8
314.95386	0.7
335.23648	1.0
343.26361	1.1
353.24625	2.0
354.50418	0.7
367.11700	1.5
371.25720	2.9
377.13736	0.9
389.26920	2.2
395.14917	3.9
396.15475	1.0
413.15802	1.0
427.17596	1.0
433.05469	1.6
445.29788	4.5
463.09567	1.8
463.30573	68.6
464.30984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.1
53.03926	6.2
55.01854	6.2
55.05504	24.9
57.03429	10.5
57.07062	3.0
59.70954	1.5
61.13491	1.5
65.03917	4.2
67.05495	95.5
68.05819	1.9
69.03426	3.2
69.07059	27.3
69.98009	5.6
69.98434	3.2
71.04998	6.7
71.08619	1.9
79.05482	61.8
80.05845	1.9
80.29141	1.4
81.03396	6.2
81.07045	100.0
83.04963	10.8
83.08603	18.6
85.06519	6.1
91.05465	50.2
93.07035	74.8
94.07355	2.2
95.04961	14.6
95.08597	34.6
97.06512	15.1
97.10147	4.9
99.04453	1.5
99.08070	5.3
105.07013	33.5
107.04949	6.1
107.08583	44.4
109.06507	7.3
109.10155	12.7
111.08088	7.2
112.99981	5.0
115.05456	2.7
116.06217	1.8
117.07005	19.4
119.08556	20.4
121.06487	6.5
121.10130	25.1
123.08064	2.7
123.11681	4.8
125.09628	3.3
127.07502	1.8
128.06183	1.9
129.06984	11.0
130.07739	2.0
131.08557	26.0
133.06494	2.4
133.10107	19.4
135.08029	4.3
135.11684	26.2
137.09636	1.4
139.11176	2.4
141.06958	4.0
142.07698	1.6
143.08531	8.5
144.09262	2.2
145.06483	1.9
145.10109	15.7
147.08038	2.3
147.11633	6.1
149.09596	3.4
149.12120	2.6
149.13239	33.0
151.11176	2.7
155.08589	3.4
157.10135	5.3
159.07956	2.4
159.11679	18.2
161.09526	2.1
161.13213	2.6
163.07504	1.6
163.11162	14.0
167.08536	1.9
169.10112	3.4
171.11646	3.2
171.69792	1.5
173.13249	3.6
175.11172	1.9
177.12733	8.2
179.14258	3.3
179.42505	1.7
181.12265	2.4
183.11656	3.2
185.13231	2.6
195.11873	3.4
195.13803	11.8
197.13318	3.4
199.14825	2.1
209.13255	1.8
211.14751	2.2
213.14766	2.5
214.81590	1.5
219.13832	3.4
223.14787	1.5
227.12729	17.6
228.89148	1.5
261.18445	2.0
265.95212	1.7
325.25244	1.7
335.23459	3.0
343.26254	5.0
344.92651	1.7
351.25171	5.2
353.24551	11.9
371.25775	13.5
389.26794	12.6
427.28308	2.4
433.05380	3.2
445.29590	27.9
463.09912	4.7
463.21149	2.2
463.30798	47.8
464.30612	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61730	2.2
53.03940	7.2
53.25936	1.7
55.01861	5.3
55.05503	24.9
57.03428	6.7
57.07068	2.9
59.56456	1.9
63.67906	2.0
65.03923	4.0
67.05498	86.9
69.03423	3.3
69.07060	30.5
70.04050	2.0
70.37134	5.4
70.37521	4.1
71.04985	6.0
76.50402	1.9
79.05021	4.1
79.05481	67.7
80.06266	2.9
81.03408	8.7
81.07047	100.0
83.04982	13.0
83.08613	20.4
85.06532	6.4
89.89351	1.9
91.04921	4.2
91.05470	58.6
91.41119	2.3
93.07035	81.8
95.04962	17.8
95.08589	32.2
97.06528	18.7
97.10163	3.1
99.08120	2.6
103.05417	3.0
104.47351	2.4
105.07025	31.4
107.04942	4.0
107.08581	44.0
107.09250	3.6
109.06496	6.8
109.10143	10.6
111.08056	7.5
117.07007	16.5
119.08540	14.4
121.06470	2.8
121.10132	26.5
123.11699	2.9
125.09600	4.1
129.06992	8.6
131.04875	3.9
131.08562	17.7
133.06479	2.4
133.10114	33.7
135.08022	3.3
135.11684	17.7
137.02359	5.6
137.05948	2.7
141.06956	2.6
143.08578	2.3
145.06415	3.4
145.10089	5.7
147.04437	3.0
147.11691	12.4
149.09576	3.8
149.13242	45.0
151.11176	3.8
153.09047	2.4
157.10118	8.7
159.04446	2.9
159.11671	22.9
160.05249	2.8
163.11140	2.5
171.11633	3.4
173.06020	4.7
173.13281	2.5
175.11194	13.5
177.11316	2.1
177.12761	8.8
185.05949	5.4
191.03386	4.4
195.13771	19.7
199.07510	14.4
206.98994	2.8
207.13931	2.3
209.09665	2.3
211.07564	4.5
219.13799	6.5
231.02817	7.4
245.04391	15.6
257.04440	3.2
263.05695	2.4
271.05893	13.8
283.06042	3.8
287.05411	5.9
289.06805	5.2
297.07629	3.5
353.24417	3.4
367.15366	3.4
371.25891	5.1
377.13794	5.1
389.26852	5.7
395.14838	24.4
413.15948	6.4
427.17575	5.0
433.05484	5.7
445.18561	2.1
445.29318	9.1
446.10690	2.3
463.10226	7.9
463.30661	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01871	2.4
55.05511	1.7
57.03433	1.8
61.96582	0.8
67.05485	3.6
68.99776	6.6
69.03429	12.2
69.07059	2.2
69.71743	0.9
70.81972	2.7
71.01323	1.5
71.04983	1.0
79.05485	7.6
81.03409	4.4
81.07037	4.6
83.36135	1.2
84.08142	0.9
85.02886	4.4
86.09708	1.5
86.49860	1.1
91.05470	4.7
93.07046	2.3
95.04951	3.4
95.08591	2.3
97.02896	2.7
97.06512	10.4
99.04453	2.7
103.03934	1.4
103.05466	1.3
105.07021	5.1
107.04971	4.7
109.02865	2.3
109.06503	13.8
109.09253	0.8
109.10136	2.0
115.05466	1.3
117.07013	1.9
119.04928	1.7
119.08553	1.9
121.02848	1.0
121.06492	1.7
121.10115	1.2
123.04427	2.8
127.03923	1.5
129.06992	1.6
131.04919	1.6
131.08589	1.5
133.06465	2.8
133.10161	0.9
135.04410	5.1
135.08012	1.3
135.11687	1.1
137.05962	18.6
139.07532	0.9
145.06467	3.3
147.04388	5.9
147.08032	1.3
149.05975	6.3
151.03883	28.7
151.07472	1.9
153.05446	1.8
155.07034	5.8
157.06454	1.8
157.10107	1.1
159.04390	1.6
160.05144	8.5
161.05965	11.4
163.02512	1.3
163.03888	26.1
163.07506	2.4
165.05469	30.8
167.03349	1.6
167.07016	61.6
173.05966	4.3
175.03857	2.8
175.07565	3.1
176.04697	2.7
177.05449	4.5
179.07001	1.8
181.04910	4.9
185.05966	3.2
187.03853	1.5
187.07495	1.3
189.05435	14.7
191.07019	7.3
198.11250	1.1
199.07437	1.2
199.11563	1.1
201.05443	5.8
203.06987	5.2
205.04994	1.0
207.06483	1.7
213.05420	2.8
219.06491	5.4
227.06927	1.1
229.04938	1.3
231.06505	4.9
241.04959	0.9
243.06671	1.3
249.07613	4.0
265.08499	1.3
267.08447	1.4
269.04352	1.2
271.09491	1.2
285.09641	52.1
286.10056	2.4
291.08572	1.2
293.04483	5.3
293.07516	1.0
301.07181	2.1
301.10724	3.3
306.05215	2.0
307.05743	1.3
309.09686	6.8
313.10773	2.0
318.04996	1.0
319.06381	1.1
321.04016	0.9
321.07620	2.4
325.10638	2.2
334.04688	1.0
338.10770	1.0
343.11646	3.6
349.07062	2.5
359.05450	2.0
362.04163	2.1
365.16046	1.0
367.11710	2.2
375.04959	3.8
377.06519	7.9
378.06262	1.1
387.05042	3.0
391.07910	1.7
403.04144	1.4
405.06009	80.4
405.14822	2.2
406.06308	6.1
415.04297	1.5
419.07449	6.6
420.08252	3.5
427.13278	1.5
433.05600	13.6
434.05609	1.8
435.10678	25.3
436.10889	1.9
448.07739	1.2
463.10129	100.0
463.15994	28.6
463.32483	8.9
464.10721	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	463.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
54.25211	1.8
55.01864	8.1
55.05504	33.4
57.03428	7.2
57.07065	7.0
65.03930	6.1
67.05492	86.2
69.03413	5.6
69.07056	44.0
71.04974	6.2
71.08639	1.8
71.59049	2.2
71.59491	3.1
73.06556	2.5
74.95418	2.1
77.03899	2.7
77.57759	1.9
79.05479	68.8
80.06273	3.7
81.03420	10.3
81.07042	100.0
83.04974	9.2
83.08608	30.1
85.06548	13.8
85.10143	2.7
88.66010	2.1
91.05466	67.2
92.05048	2.7
93.03377	2.5
93.07031	77.3
94.07806	2.9
95.04952	20.4
95.08586	45.4
97.02924	2.8
97.06514	21.2
97.10186	10.8
103.05455	6.4
105.04520	2.3
105.07013	52.7
105.07728	2.9
107.04951	12.1
107.08578	43.5
107.09261	3.6
109.06503	6.0
109.10138	27.6
111.08062	6.9
111.11720	3.7
113.05969	2.5
113.09635	2.2
115.05440	5.9
117.06988	19.4
119.04929	6.6
119.08566	30.7
121.06499	6.0
121.10125	31.0
123.04424	15.6
123.08072	4.7
123.11665	9.4
125.06025	2.3
125.09632	2.1
127.07518	2.2
128.06213	4.9
129.07004	17.3
131.04926	16.2
131.08539	30.1
133.06462	6.6
133.10103	47.8
135.04375	4.1
135.08031	6.8
135.11656	19.5
137.05975	5.2
137.09619	3.4
137.13245	3.2
141.06996	2.8
142.07741	2.9
143.07033	9.1
143.08528	7.4
145.06488	12.4
145.07445	2.0
145.10117	11.0
147.04402	14.7
147.07999	4.3
147.11653	27.9
148.08856	2.1
149.05991	5.0
149.09625	5.1
149.11456	2.5
149.13243	30.0
151.07542	2.5
151.11142	4.8
153.06993	2.3
155.08549	2.2
157.06528	4.6
157.10106	12.6
159.04404	6.7
159.11664	20.9
160.05190	5.2
161.05989	5.9
161.13248	5.0
163.03868	14.2
163.11140	3.9
165.09119	2.2
165.12746	2.9
169.06444	5.0
171.08043	5.5
173.05971	21.3
173.09628	3.6
173.13239	3.1
174.06752	10.9
175.03923	6.2
175.07533	6.0
175.11188	23.2
175.14810	4.3
176.04608	3.2
176.11922	6.9
177.05458	10.9
177.12752	10.6
180.00685	2.0
181.06435	3.4
183.08167	2.9
185.05952	5.7
187.07527	7.5
187.14912	3.1
188.08226	2.8
189.05458	6.2
191.03363	18.7
191.07051	6.8
193.05029	3.3
193.12238	9.1
195.13753	9.8
197.06033	6.0
199.07509	20.4
201.05489	5.2
203.03400	11.4
203.06941	12.8
207.08020	2.6
207.13800	6.7
211.07375	3.3
213.05492	5.1
213.08997	3.8
215.06979	4.8
217.05020	9.8
217.08527	19.6
219.13641	2.6
221.04378	5.8
223.07579	3.2
225.05374	2.4
225.08946	3.9
227.07025	7.5
229.04893	10.8
229.08549	3.1
231.02954	6.7
231.06380	3.1
233.04460	4.5
235.05956	3.2
239.07060	4.3
243.06468	14.9
243.10223	3.0
245.04352	10.6
247.06010	5.0
253.08554	3.4
255.06476	9.8
257.04440	4.7
259.06012	2.3
261.07611	5.1
261.18576	2.7
263.05560	4.4
269.08038	7.0
271.06003	15.1
271.08682	2.0
279.13745	3.1
281.06467	12.6
283.05991	4.1
285.07568	4.2
289.07043	9.1
295.08203	2.9
297.07489	2.7
297.14828	3.1
301.07178	2.2
307.08115	11.7
313.18106	2.2
315.08746	2.7
315.15881	5.4
323.16229	2.3
341.17441	8.8
343.26398	2.3
344.08932	3.6
349.14322	6.3
359.18491	3.2
367.15332	53.4
368.15723	3.5
369.13254	4.0
371.25699	3.2
373.20029	6.7
377.13824	4.9
378.13666	2.5
385.16425	22.6
395.14798	22.4
396.14813	2.7
403.16830	2.4
413.16006	17.1
427.16940	2.5
427.35791	3.4
431.16934	7.7
433.05499	6.1
445.36749	20.9
463.09610	2.9
463.13983	3.1
463.20187	13.8
463.30591	38.8
464.13321	5.8
464.19943	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1382
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
51.02307	0.6
53.03870	1.5
53.54800	0.4
55.01816	1.1
55.05432	2.9
57.03374	1.1
59.04923	0.4
60.71773	0.5
61.36977	0.5
65.03878	0.9
67.05417	7.5
67.05798	0.6
69.03365	1.1
69.06981	3.1
71.04929	0.9
71.08584	0.6
71.66248	0.6
79.05400	8.4
81.03324	1.8
81.06959	9.7
81.07487	0.8
82.16766	0.6
83.04878	2.1
83.08524	1.9
85.06457	1.0
91.05468	9.2
93.07032	7.0
95.01263	0.7
95.04881	2.0
95.08590	3.3
95.14673	0.5
97.06420	2.2
97.10072	0.7
99.07956	0.8
103.05376	1.5
105.07015	7.7
107.04854	1.6
107.08595	4.6
109.06435	0.9
109.10058	2.1
112.99924	0.9
115.05360	0.7
117.06911	1.6
118.04119	2.3
119.04948	2.7
119.08471	1.6
121.06410	1.6
121.10143	2.9
123.00789	3.2
123.04305	0.7
123.07962	0.8
123.11633	0.5
125.09536	0.7
128.06140	1.3
129.06903	1.9
131.04893	2.9
131.08455	2.2
133.06485	4.1
133.10126	2.6
135.04352	1.3
135.11586	1.8
137.02303	2.4
137.05861	1.9
141.06911	0.6
143.08473	0.7
145.06493	0.8
145.10023	1.4
146.02592	0.6
146.03593	6.9
147.04337	3.0
147.11607	0.6
148.05069	1.2
149.02225	0.6
149.05844	0.5
149.13152	2.2
151.07358	0.5
151.11058	0.8
152.00949	2.1
152.06149	0.7
159.07982	0.8
159.11621	1.4
161.05952	6.9
163.07462	1.2
163.11153	0.7
165.06906	0.7
165.09038	1.1
167.04785	0.7
168.05574	1.2
169.06404	1.0
170.02032	1.3
170.28250	0.5
171.08029	10.6
173.05865	1.1
177.12654	1.0
181.06412	1.1
181.09972	0.6
183.07957	1.5
184.05119	1.7
185.05948	0.9
185.09618	0.6
189.05450	0.9
193.12187	1.4
195.07930	0.7
195.13728	1.0
197.05878	1.0
199.07417	1.5
202.07771	0.6
203.03281	0.9
209.05945	3.5
209.09654	0.7
211.07437	1.7
212.04646	1.5
213.05438	1.0
217.05078	0.5
217.16010	0.6
223.03851	1.2
223.07555	0.6
225.05396	1.2
225.09038	1.8
227.06906	1.2
227.12642	0.8
229.08548	4.3
231.02824	1.7
239.06918	1.6
239.10695	0.6
240.04106	1.5
240.07802	4.3
241.04912	1.6
241.08627	1.3
242.05768	0.5
245.04356	1.3
251.06960	0.9
253.04901	1.2
253.08585	1.3
255.06480	100.0
256.06833	3.8
257.04453	1.6
268.07129	0.9
269.04343	1.4
269.07986	2.3
270.05151	0.6
271.06039	1.7
277.21588	1.0
281.07974	2.2
283.05975	35.9
284.06720	16.8
285.04373	1.1
285.07523	21.9
286.07816	0.7
287.05475	0.9
291.10153	0.6
293.07950	0.7
297.07538	0.8
321.04025	0.5
322.30347	0.5
349.07031	0.5
351.12161	0.7
351.25510	1.0
353.24625	0.6
369.13278	2.5
371.25250	0.6
383.74701	0.5
385.11176	0.6
385.16632	0.9
387.14386	1.1
392.26886	0.5
393.20950	0.6
405.06204	0.8
413.11212	0.6
413.15955	3.0
415.04443	0.5
417.20425	2.8
427.19052	0.7
431.16953	1.1
433.05737	4.5
433.12875	6.4
435.21881	0.5
445.06403	1.3
445.12787	41.0
445.19574	2.6
446.13251	2.7
463.14029	51.5
463.30264	4.0
464.14615	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03888	0.2
55.01842	0.4
57.03390	0.3
61.02915	3.2
65.03932	0.2
67.05452	0.6
67.29237	0.2
69.03426	1.1
69.40125	0.4
69.40528	1.5
70.06548	0.3
71.04936	0.3
73.02866	0.9
79.01784	0.3
79.05444	0.5
81.03370	0.7
81.07001	0.4
83.04937	0.4
84.08124	0.3
85.02419	0.2
85.02888	2.6
85.06504	0.2
86.09691	0.2
87.04424	0.2
91.03948	1.6
91.05414	0.6
92.02605	0.4
93.03407	1.0
93.07011	0.5
95.04939	0.4
95.08556	0.3
97.02889	1.8
97.06470	0.2
97.58179	0.2
107.08585	0.3
109.02851	0.2
109.06506	0.2
115.03870	0.2
115.05400	0.3
117.03381	0.2
121.02861	1.2
121.10091	0.2
123.04395	0.5
127.03854	0.4
131.04857	0.3
131.08495	0.2
131.10564	0.2
133.02803	0.2
135.04361	0.2
135.11597	0.3
137.02319	9.5
137.03371	0.5
137.05908	0.5
138.09113	0.4
145.10074	0.3
147.04359	0.9
149.02246	0.6
149.09627	0.2
150.02960	0.2
151.03847	0.5
153.01825	0.3
157.06554	0.2
163.03926	0.4
163.11105	0.5
164.07013	0.5
165.01779	0.4
165.05412	0.4
167.07013	0.2
173.09631	0.3
175.03850	0.3
179.07092	0.4
184.05061	0.3
185.05925	0.9
187.03865	0.5
191.10626	0.4
197.05931	0.5
201.05447	0.7
202.06198	0.6
203.03429	0.4
205.04939	0.2
211.07451	0.3
212.04651	0.9
213.05457	2.6
216.04005	0.3
219.02998	0.2
225.05473	0.2
227.06941	0.4
227.12639	0.2
229.04846	1.3
230.05728	2.8
239.06929	0.4
240.04141	0.3
241.04927	2.6
243.02841	0.3
243.06564	0.4
244.03607	0.6
245.08041	0.3
253.04861	0.3
253.12291	0.2
254.05739	0.6
255.06532	0.4
257.04456	1.5
258.02463	0.3
258.05209	5.0
259.05670	0.3
261.03992	0.4
265.04657	0.3
267.06305	0.3
268.03647	0.6
269.04358	3.3
270.05063	0.5
271.06097	0.4
271.09503	0.3
272.06671	0.3
281.04269	0.5
282.05255	1.1
283.05978	1.8
283.15125	0.3
285.03854	0.6
285.07288	0.2
286.04678	15.4
287.05148	0.8
295.05939	0.5
297.07477	0.7
298.04602	1.4
299.05457	2.4
300.06210	0.5
301.07019	100.0
302.07318	3.6
307.05905	0.2
310.04752	0.2
311.05573	0.8
312.06339	0.3
313.07019	6.7
314.07672	0.8
318.37442	0.2
323.05426	0.4
324.06027	0.2
325.06827	1.2
327.08554	0.6
328.05777	0.9
337.07138	0.3
338.07605	0.2
341.06476	0.3
343.08069	8.3
344.08374	0.4
353.06229	0.3
353.10214	1.0
355.07697	0.3
367.08090	2.5
373.09219	0.4
381.09616	0.6
397.09128	2.3
409.09103	1.2
427.10211	3.2
445.11221	4.4
463.12286	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	463.1227
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
57.03420	1.1
61.64375	0.6
62.39501	0.5
62.72377	0.5
67.88862	0.5
69.03429	0.8
69.47118	1.0
69.47527	3.7
81.03383	0.8
85.02874	2.1
97.02873	0.9
104.25124	0.5
105.03352	0.6
107.04935	0.6
122.45607	0.5
135.04361	0.6
137.02307	10.5
141.06906	1.2
145.02872	0.8
147.04385	0.9
150.03134	1.1
153.01791	0.8
157.06439	1.9
163.03886	0.7
169.06395	1.1
171.04344	0.5
177.05467	1.0
178.05794	0.5
179.04868	0.6
185.05957	0.9
187.03891	1.4
188.04793	0.6
189.05463	2.1
191.03403	0.8
197.05933	3.4
211.32874	0.6
212.04584	0.6
213.05441	15.6
214.05887	0.8
215.03467	0.8
217.04976	0.8
225.05458	1.5
227.07007	2.0
228.98431	0.5
239.11905	1.0
241.04912	12.4
245.08060	0.9
255.06425	3.0
255.11206	0.9
268.03650	1.4
269.04401	14.5
270.04907	0.6
283.05951	1.4
286.04611	3.8
297.21521	0.5
301.07010	100.0
302.07355	4.2
313.12061	0.6
315.13431	0.8
328.32861	0.6
328.45877	0.5
331.08075	1.6
445.15973	1.4
463.17294	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1229
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
51.55645	0.2
54.61197	0.2
57.03402	0.3
59.59872	0.2
61.02920	2.4
61.04378	0.2
65.03925	0.3
68.99754	0.2
69.03408	0.7
71.30492	0.4
73.02917	0.9
74.39393	0.2
79.01854	0.3
79.05476	0.3
81.03408	0.5
81.07044	0.3
84.08144	0.2
85.02895	2.6
87.04471	0.3
87.61228	0.2
91.03951	1.5
91.05440	0.3
92.02609	0.4
93.03391	1.0
93.07022	0.3
97.02873	1.7
97.06509	0.2
99.04414	0.3
101.02387	0.2
107.04929	0.4
109.02850	0.4
115.03866	0.2
119.04935	0.3
121.02859	1.2
121.10093	0.2
123.04402	0.6
124.07452	0.2
127.03894	0.4
133.02856	0.2
134.03557	0.2
135.04460	0.2
135.11658	0.2
136.59084	0.2
137.02313	8.9
137.05946	0.5
138.02597	0.2
140.61205	0.2
147.04393	0.7
149.02310	0.5
149.05908	0.2
150.03079	0.2
151.03874	0.5
157.06483	0.3
163.03889	0.4
164.07071	0.3
165.01871	0.2
165.05457	0.7
167.03461	0.2
174.06815	0.2
177.05466	0.2
185.05968	0.7
187.03802	0.4
197.05930	0.3
201.05449	0.6
202.06248	0.6
203.03415	0.2
207.66873	0.2
211.07404	0.2
212.04678	1.0
213.05440	2.3
214.06087	0.3
215.03326	0.4
216.04147	0.2
217.04909	0.2
227.07074	0.4
229.04865	1.2
230.05733	2.7
231.02750	0.2
240.04228	0.2
241.04883	2.2
242.05539	0.2
243.06500	0.4
244.03670	0.6
245.08113	0.5
253.04991	0.2
254.05731	0.4
255.06526	0.3
257.04398	1.2
258.05203	4.7
259.05618	0.2
261.03839	0.4
265.05026	0.3
268.03650	0.6
269.04395	2.9
269.07086	0.3
270.04877	0.4
271.05945	0.6
272.06644	0.3
281.04355	0.6
282.05225	0.8
283.05923	1.1
285.03961	0.6
286.04672	16.5
287.05103	0.9
295.06003	0.3
297.07510	0.4
298.04581	1.0
299.05423	1.6
300.06210	0.4
301.07016	100.0
302.07379	4.1
303.05103	0.2
307.05875	0.2
311.05377	0.6
313.07043	5.3
314.08038	0.2
321.07736	0.3
323.05380	0.3
324.06247	0.3
325.06970	0.9
327.08542	0.5
328.05698	0.8
338.07785	0.4
343.08090	6.8
344.08243	0.5
348.06384	0.2
352.05905	0.3
353.10202	0.8
367.07993	1.9
373.09351	0.4
381.09662	0.4
397.09094	1.6
409.09073	1.1
427.10138	2.6
434.45557	0.2
445.11200	3.7
463.12247	5.6
464.12491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.18185	0.3
55.05502	0.4
55.31433	0.3
58.79704	0.3
68.99767	0.6
69.03426	1.7
69.07053	0.4
69.92713	1.4
75.04431	0.3
76.35727	0.3
79.05485	0.6
81.07034	0.7
83.08585	0.3
84.08104	0.3
84.67275	0.3
85.02887	0.7
86.09669	0.4
87.04438	0.3
91.05446	0.8
93.07027	0.6
94.70493	0.3
95.04961	0.5
97.02856	0.7
97.06509	1.2
100.11217	0.4
107.04831	0.3
107.08554	0.3
107.22653	0.3
109.02795	0.4
109.06461	0.3
121.10122	0.4
123.00789	0.7
123.04470	0.4
124.01549	0.7
125.07062	0.4
127.03886	0.7
129.06976	0.4
131.04901	0.8
134.03613	2.9
135.11691	0.5
137.02339	0.3
137.05933	0.9
139.03874	0.3
147.04428	1.4
149.02339	0.8
150.03098	0.6
152.01041	0.6
153.01810	7.6
157.06479	0.3
163.11093	0.5
163.75549	0.3
167.03416	1.0
170.02045	1.1
171.04227	0.3
171.11650	0.3
175.03931	0.3
177.05463	0.6
185.05907	0.5
189.05421	0.5
197.05930	0.5
199.03871	0.8
201.05476	0.4
202.06230	0.8
213.05464	1.7
227.12811	0.6
229.04936	5.5
230.05655	2.9
241.04919	10.6
242.05331	0.5
245.08124	0.9
257.04349	0.5
258.05280	1.2
269.04434	9.4
270.04761	0.3
273.07394	0.5
283.06381	0.3
283.15280	1.0
285.03912	1.2
286.04688	15.1
287.05130	0.5
294.04935	0.3
299.05441	0.4
301.07025	100.0
302.07318	4.6
315.04736	0.4
316.05695	0.9
319.11917	0.3
331.08105	5.1
347.05969	0.3
375.05008	0.4
377.02249	0.3
377.06839	0.9
405.15314	0.3
407.37469	0.3
463.13251	0.5
464.10254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.05486	0.3
55.67344	0.2
67.05486	0.3
68.99772	0.5
69.07063	0.2
70.06598	0.2
71.04990	0.4
71.60504	0.3
73.06557	0.2
79.05494	0.3
81.03403	0.4
81.07027	0.6
85.02865	0.3
91.05467	0.6
93.07030	0.5
95.04939	0.3
95.08574	0.5
95.69746	0.2
97.02865	0.4
97.06516	0.5
103.03937	0.2
105.07030	0.3
106.51877	0.2
107.05041	0.2
107.08566	0.3
109.02837	0.3
109.10111	0.3
117.03348	0.2
119.08529	0.3
121.10109	0.3
123.00780	0.6
123.04444	0.4
124.01548	0.6
127.03925	0.3
129.07001	0.5
131.04927	0.4
131.08560	0.4
133.10146	0.4
134.03601	2.8
137.02298	0.3
137.05959	0.4
145.06505	0.4
147.04402	0.3
149.02289	0.5
149.05974	0.3
152.01041	0.5
153.01816	8.7
157.06433	0.4
161.02353	0.3
170.02150	1.0
173.06021	0.3
175.03864	0.3
179.03285	0.2
185.05986	0.5
187.03954	0.3
197.05956	0.3
199.03897	0.8
201.05461	0.3
202.06219	0.7
212.04561	0.2
213.05469	2.5
228.04103	0.2
229.04926	4.3
230.05722	3.0
241.04932	10.8
242.05238	0.4
243.06297	0.2
245.08131	1.0
258.05148	1.2
269.04422	14.9
270.04742	0.5
273.07617	0.6
283.05920	0.4
285.03900	1.4
286.04684	15.4
287.05066	0.5
301.07022	100.0
302.07336	3.4
303.37848	0.2
309.07379	0.3
331.08078	0.9
463.13998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48059	0.9
55.60884	0.8
56.96536	1.0
57.03415	1.8
57.49590	0.8
69.03424	1.6
71.61339	1.8
71.61718	1.9
85.02903	2.2
87.41357	1.0
88.02931	0.9
94.06553	2.6
97.02880	3.1
98.97555	2.5
114.64774	0.9
119.01965	1.0
137.05894	1.1
138.05524	1.7
139.00755	1.5
143.01851	1.1
145.00739	1.8
150.05515	1.3
151.00816	1.4
152.07047	1.4
154.01312	1.2
160.01233	2.0
170.08073	1.4
176.01071	1.9
180.97435	6.1
181.01868	1.2
185.03006	1.3
190.02194	1.0
196.02151	1.2
198.98524	13.3
199.98785	1.5
210.98442	2.1
216.99487	2.6
228.99693	1.3
232.03416	2.0
232.53568	1.8
234.98463	0.9
240.99585	3.9
241.04041	1.0
245.05222	0.9
252.99562	1.5
258.68872	1.1
259.00613	1.5
283.00565	4.2
301.01813	1.5
301.06790	0.9
463.12054	100.0
464.12451	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	461.362
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03937	1.5
55.05513	9.9
57.03437	2.1
57.07072	3.7
67.05494	18.5
69.07066	11.9
69.56026	5.9
69.56430	3.4
70.95528	1.1
71.08619	2.2
79.05478	9.0
81.07045	33.0
83.04955	1.7
83.08614	6.5
91.05470	5.3
93.07021	7.5
95.04954	2.3
95.08600	20.2
97.06523	2.1
97.10165	4.7
105.07025	5.4
107.04939	2.1
107.08580	5.6
108.07162	1.2
109.10142	14.3
110.40153	1.5
111.08046	1.2
116.74561	1.3
117.06963	1.8
119.08562	5.8
121.06524	1.5
121.10155	3.9
123.08102	1.9
123.11680	7.6
125.50963	1.2
128.06236	1.8
129.06985	2.0
131.08562	4.2
133.10088	3.3
135.08031	4.1
135.11713	3.4
137.09596	10.3
137.13203	3.1
145.10129	2.1
149.09624	11.8
149.13252	1.9
151.07532	2.3
153.09106	2.2
155.08568	1.3
157.10129	2.2
159.11670	2.6
163.11188	8.7
163.14836	1.4
165.09099	100.0
166.09404	2.4
173.09576	1.8
175.07530	1.6
175.11143	2.8
177.09128	8.3
179.10571	1.6
189.09140	1.7
190.09991	1.3
191.10698	6.5
197.04428	4.8
201.12648	2.0
203.10649	3.3
205.12297	8.6
215.14282	1.9
289.26044	1.3
315.23322	1.6
369.23669	1.4
406.52109	1.6
415.31876	1.9
425.34146	4.3
443.29163	1.9
443.35159	11.2
461.28915	4.3
461.36044	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	462.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
56.96562	0.9
57.03440	0.3
61.17080	0.3
62.41172	0.2
67.05495	1.0
69.03427	0.7
70.24094	1.2
78.76098	0.2
80.99968	0.2
81.03403	0.3
84.08121	0.3
85.02905	0.8
87.04483	0.3
94.05979	0.2
94.06550	5.6
95.18894	0.2
97.02885	0.7
97.87267	0.2
98.97585	1.1
104.62966	0.2
106.06525	2.0
107.04918	0.4
110.97591	0.3
116.98622	0.8
119.04964	0.3
122.06010	4.8
128.98572	0.3
134.99593	0.4
136.06158	0.7
147.04391	0.7
150.05481	100.0
151.05815	1.5
168.06537	33.9
169.06906	0.4
172.94310	0.4
198.98584	0.3
201.00900	0.2
214.13051	0.2
219.01704	0.3
232.96425	0.3
237.02631	0.3
244.96234	0.3
261.84091	0.3
278.33530	0.3
342.08096	0.3
354.74695	0.3
381.09946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.362
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03947	7.6
55.05510	44.5
57.07065	35.9
67.05492	39.4
69.03414	5.3
69.07056	83.0
71.04991	39.9
71.08611	15.9
71.59662	6.2
72.41660	4.5
79.05466	23.2
81.07046	100.0
83.08603	46.6
85.10157	9.2
91.05477	13.0
93.07029	21.5
95.04977	6.5
95.08598	87.1
97.10139	40.8
99.04427	22.8
105.07001	18.8
107.08559	20.3
109.06504	22.6
109.10152	62.4
111.08031	6.4
111.11700	25.6
116.27290	5.1
119.08544	11.9
121.06551	7.0
121.10176	27.8
123.11680	23.3
125.05982	89.0
125.13210	7.9
127.03922	50.1
127.07574	6.2
131.08517	9.5
132.90280	5.0
133.10118	9.1
135.07954	6.0
135.11656	14.5
137.05959	93.5
137.13232	6.4
139.07529	14.3
145.10161	8.4
147.11670	11.2
149.05998	7.6
149.13205	9.9
151.07489	18.1
151.86110	5.7
157.08607	6.4
157.10046	7.9
161.13197	8.2
163.14737	7.2
165.09123	8.5
167.06967	36.6
175.11214	8.0
177.09073	15.8
195.09959	7.5
205.12129	7.4
232.96930	5.1
397.34335	7.0
401.34125	8.7
425.34186	12.5
443.35190	15.2
461.29068	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	461.3621
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
52.90451	2.0
53.03929	3.3
54.44245	2.1
55.01872	2.4
55.05508	26.5
56.64727	2.0
56.68721	2.1
57.06813	3.4
57.07071	40.3
58.39923	2.4
62.73355	2.2
67.05505	20.7
68.87867	2.4
69.03383	4.3
69.06701	3.3
69.07065	57.0
69.25260	26.8
71.03426	2.1
71.08625	31.5
73.06555	2.0
79.05490	18.7
81.03403	5.6
81.06617	4.0
81.07051	48.3
83.04970	5.7
83.08611	27.9
85.06550	2.7
85.10172	20.4
91.05462	16.8
93.07041	27.2
95.04946	5.3
95.08595	43.3
97.06541	3.3
97.10165	19.4
99.96596	2.3
105.07022	32.7
107.04940	45.8
107.08574	29.7
109.02839	6.0
109.06506	15.5
109.10151	27.3
111.04376	2.8
111.11732	11.5
117.06995	9.8
119.08578	29.3
120.48660	2.2
121.06482	8.5
121.10147	18.5
123.08044	4.1
123.11694	14.5
125.13263	3.2
128.06229	2.6
129.06998	13.2
131.08575	20.4
133.06483	12.5
133.10135	30.2
135.08044	6.5
135.11687	12.9
135.47496	2.2
137.05971	7.7
137.13255	6.1
141.07010	3.3
143.08549	19.7
145.06468	5.5
145.10091	27.8
147.07990	17.6
147.11679	15.4
149.13210	8.4
151.07523	6.5
151.14763	4.1
155.08542	6.2
157.10106	15.4
159.08031	4.2
159.11713	17.8
161.09627	16.1
161.13222	15.5
163.11154	2.4
163.14792	4.5
169.08611	7.9
169.10114	6.6
171.08060	12.9
171.11690	12.7
173.09618	4.3
173.13277	8.5
175.11215	4.0
175.14716	5.6
183.11681	9.3
183.22557	2.2
185.09521	3.0
185.13220	8.5
187.14798	6.3
189.09146	13.2
189.12750	2.5
189.16258	3.1
191.10612	3.2
197.13179	8.2
199.11272	2.7
199.14743	6.1
201.12697	6.1
201.16377	5.9
203.10730	4.2
203.17848	3.1
207.10059	3.6
211.11115	2.7
211.14824	3.4
217.12231	6.8
219.13560	2.5
225.12733	2.9
225.16359	5.9
227.17868	3.2
229.12138	4.1
231.13789	4.2
241.19397	3.2
243.13879	5.3
243.17516	3.0
247.16997	2.7
253.15984	3.0
257.15247	3.2
257.22610	3.9
261.18420	2.3
271.16867	7.2
273.25726	3.9
285.18430	10.3
301.28812	7.3
313.21609	3.3
325.28723	5.9
327.23099	6.7
339.30252	2.9
341.24808	2.9
341.32205	2.9
343.29813	18.5
365.31955	4.7
383.32959	10.2
397.34564	4.8
401.34116	14.3
403.31921	10.8
407.33051	10.5
415.35626	3.4
425.34131	61.6
425.39954	3.7
426.34219	4.0
443.35190	100.0
444.35394	5.6
461.36197	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	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.9
55.01851	6.4
55.05240	1.9
55.05502	27.8
57.03428	7.7
62.08635	1.4
65.03920	3.9
67.05496	51.0
69.03411	2.2
69.07056	18.2
69.71815	3.6
69.72243	6.3
70.00766	1.5
71.04971	4.5
74.65263	1.5
75.28889	1.4
79.05022	2.4
79.05481	49.3
81.03407	52.3
81.07042	62.3
83.04974	6.8
83.08605	22.4
85.06526	3.6
91.05470	44.2
93.07030	45.2
95.04955	33.0
95.08595	23.8
97.02840	1.7
97.06503	8.1
97.10146	10.7
98.20712	3.0
99.08067	2.4
103.05458	2.6
105.06345	2.0
105.07018	33.8
107.04939	14.0
107.07843	1.7
107.08571	26.8
109.06526	8.3
109.10126	9.9
111.04431	1.9
111.08044	7.7
115.05429	4.4
117.06998	18.2
119.04911	2.8
119.08557	23.1
121.06506	10.9
121.10101	13.9
123.08025	4.3
123.11683	2.2
125.09608	7.3
128.06198	4.7
129.06984	17.2
131.04909	2.2
131.08549	29.2
133.06450	7.9
133.10130	13.0
135.08028	5.1
135.11671	5.3
137.05965	1.7
137.09641	1.7
139.24591	1.4
141.06967	4.2
142.07722	3.3
143.08556	13.1
145.06429	10.5
145.10126	8.0
147.08034	8.3
147.11676	6.5
149.09601	6.3
149.13254	13.8
155.08574	7.6
157.06467	2.8
157.10100	12.3
159.08015	5.0
159.11678	10.4
161.08403	1.4
161.09624	4.7
161.13181	2.5
163.11247	2.0
165.09109	1.8
167.08548	2.5
169.10104	5.1
171.08051	3.1
171.11629	5.9
173.09587	3.6
173.13219	3.3
173.46248	1.3
175.11150	5.3
177.12703	6.8
179.08623	1.6
181.10126	4.2
183.07977	2.1
183.11638	3.3
185.09589	2.3
185.13231	2.4
187.11090	1.7
187.14868	1.6
189.09291	1.5
189.11160	5.9
189.12701	2.0
189.16325	1.5
193.12228	19.4
195.11681	3.5
195.13770	3.4
197.13281	3.0
199.14758	4.1
201.12762	2.6
203.14384	2.2
205.12263	2.4
207.91429	1.7
211.14825	1.9
213.12746	3.0
217.15894	7.7
223.14854	3.0
225.12746	2.3
227.12671	3.0
229.15921	1.8
231.13786	2.5
243.13812	1.9
249.14757	3.5
253.16046	1.4
257.15292	2.0
262.58508	1.5
271.16974	2.0
275.16495	1.8
323.23633	2.5
333.22223	1.8
341.03625	1.3
341.24786	5.5
343.22595	5.7
351.23010	12.1
361.23801	4.1
369.19806	2.8
369.24231	33.4
370.24539	2.6
387.25223	22.2
405.26437	3.9
417.26245	7.5
425.26898	3.4
425.33389	1.7
443.27881	30.9
444.28317	2.6
448.50754	1.4
461.17484	3.8
461.28897	100.0
462.29028	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	461.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21040	4.7
55.05508	42.7
57.07063	22.8
60.56630	4.6
66.00178	4.9
67.05492	35.9
68.62093	5.1
69.07061	79.1
69.33450	36.0
69.33865	17.8
71.04974	26.3
71.08614	21.4
71.44932	4.4
79.05479	18.2
80.87886	5.0
81.07045	100.0
83.08611	50.4
83.41451	5.4
85.10174	10.1
91.05473	13.5
93.07030	21.9
95.08589	82.4
97.06541	6.9
97.10149	36.0
98.20753	10.7
99.04433	13.3
105.07083	8.0
107.04978	5.1
107.08599	22.3
109.06529	17.4
109.10148	54.4
111.05664	5.7
111.11688	28.9
119.08562	13.3
121.06522	7.4
121.10151	20.0
123.11697	26.6
125.05976	94.0
127.03916	40.2
133.10112	8.2
135.08035	11.8
135.11652	17.1
137.05940	90.3
137.13246	14.0
139.07526	13.3
145.10066	6.7
149.05980	6.4
149.09647	5.7
149.13235	6.4
151.07561	15.8
161.13213	7.6
163.11099	7.2
165.05399	5.3
165.09087	64.6
166.51144	5.4
167.07013	50.7
171.11659	8.2
175.11160	9.8
177.09100	22.0
179.06984	7.4
191.10603	6.5
201.12741	8.0
205.12186	11.6
213.12991	5.2
219.13754	9.0
257.62332	5.7
334.12158	5.7
383.32889	6.4
397.34598	10.1
401.34003	9.5
425.34125	9.8
443.35114	24.1
444.35779	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01863	11.8
55.05503	42.6
57.03427	12.9
57.07063	3.2
59.04982	2.5
65.03912	6.9
67.05495	88.5
69.03413	3.8
69.07060	30.1
69.33090	17.6
71.04971	6.7
73.46085	1.6
79.05482	82.5
80.05804	2.3
81.03399	7.0
81.07042	80.5
82.07387	1.9
83.04958	10.1
83.08604	22.7
85.02911	2.4
85.06524	7.3
91.05463	100.0
93.03347	1.9
93.07032	67.5
95.04955	23.2
95.08587	52.1
96.08936	1.8
97.06510	13.2
97.10147	14.2
98.21453	3.9
99.08086	3.8
103.05451	5.7
105.04530	2.0
105.07011	86.1
107.04932	21.2
107.08582	37.4
109.06510	15.7
109.10136	25.3
111.08059	6.5
115.05453	10.4
116.06232	3.4
117.07001	50.2
117.07816	3.7
118.07319	2.4
119.04921	5.1
119.08562	47.0
121.06483	18.8
121.10123	23.6
123.08026	10.0
123.11671	3.1
125.05976	2.4
125.09594	9.6
128.06183	15.3
129.06985	63.1
130.07602	1.7
131.04915	5.9
131.08545	72.8
133.06465	15.4
133.10101	28.3
135.08035	14.0
135.11658	10.7
137.09584	8.2
139.11140	2.7
141.06975	25.5
142.07753	5.8
143.08534	46.4
144.09317	4.9
145.06464	23.3
145.10101	40.3
146.10432	2.4
147.07996	18.2
147.11703	10.0
149.09546	11.2
149.13234	4.8
151.07541	2.5
151.11128	2.3
153.07013	5.6
154.07704	4.0
155.08522	32.8
156.09258	3.4
157.06490	5.7
157.10095	26.6
159.08028	11.2
159.11655	17.4
161.09615	7.4
161.13298	3.5
163.11188	6.7
165.06990	2.9
165.09094	8.5
167.08566	16.8
168.09283	4.2
169.10077	19.0
171.08073	6.2
171.11653	18.7
173.09665	5.3
173.13202	8.3
175.11205	8.0
177.05441	2.5
177.12689	4.2
179.08560	5.7
180.09262	2.0
181.08618	3.5
181.10057	16.4
183.08067	4.7
183.11644	16.4
185.09583	6.1
185.13243	16.5
187.00937	1.8
187.11160	4.8
187.14903	2.7
189.11220	5.0
189.12743	3.5
193.10152	6.3
193.12140	3.2
195.11699	13.0
197.09622	5.0
197.13333	12.6
199.11171	4.3
199.14819	9.9
201.12697	5.9
203.14429	4.5
205.12234	3.6
207.11681	4.4
209.13145	8.6
211.07422	1.8
211.11147	4.2
211.14812	6.8
213.12735	12.7
213.16209	1.9
215.14246	8.8
217.12221	2.9
217.15900	4.1
219.13655	2.0
221.13199	7.7
221.15140	1.8
223.14832	8.4
225.12756	5.9
225.16422	4.0
226.35201	1.8
227.14348	4.7
229.16006	3.0
231.13760	4.3
233.15347	4.3
235.14812	6.0
237.16193	3.5
239.14314	6.5
239.17911	2.2
241.15945	3.2
243.13698	2.9
243.17462	2.6
245.15302	3.1
253.15886	8.0
255.17305	2.7
257.15384	10.2
259.16959	2.8
261.14883	2.2
271.16794	9.2
273.18555	3.2
285.18484	3.5
289.17944	3.1
305.22693	3.0
315.05075	2.1
323.23666	14.7
327.19302	1.8
333.22043	13.0
341.24655	17.9
345.09674	2.6
351.23135	53.9
352.23441	4.0
359.26004	4.4
365.31174	1.9
369.24176	87.4
370.24503	5.4
387.25229	50.6
407.25726	2.8
415.28284	3.9
417.26730	1.9
425.26657	4.7
433.29175	3.3
443.27890	87.0
444.28217	5.0
461.08292	2.5
461.17627	5.6
461.28897	92.4
462.29294	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01866	5.9
55.05502	42.0
56.39266	4.0
57.03417	11.7
64.57162	4.5
65.03912	4.2
67.05154	6.5
67.05496	100.0
69.07056	34.5
71.03179	7.5
79.05038	6.1
79.05485	91.4
81.03397	8.1
81.06568	4.1
81.07047	79.6
82.72603	4.0
83.04964	14.4
83.08614	28.3
85.06519	10.8
90.66308	4.0
91.05466	99.7
91.71686	3.5
93.07028	70.1
95.04959	24.4
95.08586	49.1
97.06485	8.8
97.10101	6.8
98.40643	3.7
103.05457	8.3
105.07018	81.5
107.04931	13.9
107.08590	34.7
109.06512	8.0
109.10154	23.9
111.08060	7.8
114.69843	3.4
115.05457	9.4
117.07008	51.4
119.08560	52.1
121.06481	11.8
121.10104	18.3
123.08030	9.1
124.55150	3.8
125.09641	11.5
128.06209	17.6
129.06985	61.9
130.55191	3.7
131.04924	8.2
131.07669	6.5
131.08557	76.6
133.06445	13.2
133.10138	25.1
135.08041	8.3
135.11670	8.6
139.11113	4.5
141.06966	34.9
142.07742	10.2
143.08528	51.1
145.06456	13.7
145.10091	33.1
147.08051	8.6
147.11659	12.0
149.09613	10.9
149.13205	9.4
153.06984	9.1
155.08525	38.5
157.06541	5.7
157.10106	29.5
159.08052	14.9
159.11676	25.0
161.09634	6.0
161.13200	6.3
163.11230	5.0
167.08517	21.6
169.10101	29.6
170.01585	3.6
171.07956	7.2
171.11647	23.7
173.13229	5.4
175.11086	5.0
177.12767	5.8
179.08562	11.6
181.10092	17.7
183.11647	16.0
185.09557	7.3
185.13239	10.8
187.11078	8.0
187.14566	5.5
193.10092	9.6
195.11694	18.2
197.13229	12.1
199.11086	4.9
199.14839	7.5
203.14268	5.3
207.11746	7.4
209.13164	13.2
211.11162	4.3
211.14867	6.7
213.16402	6.8
215.14346	12.1
217.15840	6.3
221.13194	14.3
223.14809	11.3
225.12785	7.7
225.16335	6.0
227.14471	4.7
229.15916	5.0
239.14342	6.1
241.15894	4.6
253.15820	5.5
257.15332	7.3
259.16885	5.9
271.16864	9.2
275.16583	6.3
305.22461	3.9
323.23569	12.5
330.35239	4.0
333.22073	20.5
341.24551	20.8
351.23123	58.5
369.24249	45.3
387.25278	27.8
415.28680	4.5
443.27780	61.4
444.28339	5.3
461.29001	74.1
462.29037	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.8
55.01866	8.3
55.05506	30.7
57.03436	7.9
59.04985	1.9
62.51368	1.6
65.03941	2.3
67.05497	65.3
69.03410	4.9
69.07058	18.6
71.04974	6.1
71.24715	3.6
79.05482	58.8
81.02944	3.3
81.03408	48.4
81.07044	66.9
83.04971	12.0
83.08607	21.9
85.06541	4.2
91.05465	53.8
93.07030	53.3
95.04955	32.8
95.08590	25.2
97.02911	2.1
97.06506	8.8
97.10149	12.2
99.08083	1.8
103.05411	2.8
105.07018	36.5
107.04938	14.4
107.08578	26.5
109.06496	9.7
109.10135	9.0
111.08071	6.8
113.85709	1.5
115.05405	3.8
117.07016	16.9
117.51690	1.7
119.04925	3.1
119.08553	20.0
121.06467	14.0
121.10108	15.8
123.08057	5.8
123.11720	2.7
125.09631	7.6
128.06180	4.8
129.06972	18.3
131.04933	2.8
131.08556	27.8
133.06493	8.4
133.10121	17.7
135.08046	6.5
135.11662	7.0
137.09669	2.3
141.06958	4.7
142.07678	3.3
143.08548	11.0
145.06467	14.2
145.09128	1.7
145.10092	10.5
147.08031	9.2
147.11678	8.9
149.09566	9.5
149.13237	20.5
151.07484	2.4
151.11102	1.6
153.06865	1.7
155.08528	7.4
157.06439	1.9
157.10107	14.6
159.08067	4.6
159.11656	11.6
161.09552	3.7
161.13220	2.2
162.39430	1.6
163.11180	4.0
165.09088	3.2
165.81386	1.8
167.08458	2.3
169.10104	5.0
171.08046	3.5
171.11674	2.9
173.09731	2.2
173.13316	3.3
175.11192	6.3
177.12761	7.2
179.08525	2.9
181.10054	2.6
183.11665	4.0
185.13228	2.5
187.11182	3.3
189.11154	7.9
193.12221	18.4
195.11800	3.3
195.13799	3.9
197.09628	1.9
199.14818	3.8
201.12663	2.8
201.93979	1.7
205.12245	2.3
213.12714	3.7
215.14375	1.7
217.15900	8.9
219.13857	1.9
221.15710	1.5
227.12653	2.5
231.13873	3.9
249.14761	2.4
257.15512	2.2
259.16910	2.0
267.15912	2.0
275.16458	3.8
313.64413	1.6
323.23782	2.3
341.24731	4.7
343.22488	2.2
347.10754	1.7
351.23154	13.9
369.24207	27.1
387.25253	14.5
405.26016	2.8
417.26242	4.6
425.25995	2.1
443.27881	28.2
444.27789	2.0
461.18234	9.9
461.28912	100.0
462.28986	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	461.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
52.03794	1.0
53.03946	11.8
55.01865	14.3
55.05501	22.3
57.03428	10.5
57.07059	4.6
59.04979	2.7
61.02919	8.6
67.05491	9.5
68.99788	6.5
69.03421	65.7
69.06689	2.6
69.07059	49.1
70.06584	2.2
70.79183	2.5
71.04613	1.6
71.04984	15.0
71.08622	1.5
73.02908	13.1
76.22025	1.4
79.05501	5.8
81.03409	66.6
81.07046	29.7
82.93526	1.2
83.04970	13.3
83.08600	10.2
84.08131	1.3
85.02895	100.0
85.06526	18.4
87.00818	38.8
87.01212	0.9
87.04495	1.6
91.03936	3.1
91.05460	4.2
93.07034	14.6
95.04945	2.2
95.08594	41.6
97.02241	1.8
97.02872	32.4
97.06506	7.9
97.10151	15.9
98.89459	1.2
99.04439	22.1
99.08081	30.4
100.11272	1.0
102.40421	1.1
103.03910	2.6
105.01851	28.3
105.07011	3.2
107.08585	23.2
109.02863	66.3
109.10148	16.3
111.08042	3.4
111.11711	11.2
113.09637	10.0
115.03905	2.3
117.01846	6.6
119.08546	2.4
121.06493	1.2
121.10142	31.1
123.04395	1.5
123.08106	1.2
123.11693	11.0
124.83624	1.0
125.09607	9.9
127.03899	98.2
127.11137	2.5
129.01797	7.0
129.12708	1.9
131.04875	1.7
133.10077	1.3
135.11681	18.1
137.05957	1.3
137.13245	16.0
139.11156	8.6
145.04938	32.5
147.02840	6.0
147.04379	1.9
147.11682	1.5
149.13234	3.4
151.14812	5.5
153.12724	18.8
154.12973	1.8
159.02872	40.2
175.14731	1.4
177.03954	2.2
177.16362	67.6
178.06282	1.6
178.16740	1.9
189.03973	2.4
195.17424	69.2
196.17815	2.1
213.03920	5.2
213.18459	53.6
231.04974	18.8
237.18477	1.9
249.05986	2.5
267.02856	1.7
285.03836	1.6
296.06583	1.3
299.05792	1.6
299.09082	4.3
299.75711	1.3
353.09918	1.4
397.08984	1.9
409.80984	1.1
431.03842	2.5
433.11179	1.2
443.09650	2.4
461.10516	9.0
461.23657	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	461.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.7
55.01859	15.0
55.05503	25.0
57.03425	12.2
57.07061	5.6
59.04984	3.9
61.02902	8.7
63.12055	1.8
67.05507	9.6
68.99771	7.5
69.03418	74.1
69.07061	51.2
69.68517	14.6
71.04983	17.1
71.08636	1.8
73.02905	15.3
79.05463	5.1
81.03408	65.5
81.07041	30.3
83.04962	12.5
83.08591	8.2
85.02892	100.0
85.06527	18.9
87.00336	3.6
87.00817	38.3
91.03940	2.8
91.05432	5.2
93.07036	12.3
93.41091	1.8
95.04984	2.7
95.08595	44.2
97.02880	35.0
97.06526	6.4
97.10167	14.6
99.04440	24.5
99.08079	33.6
103.03926	1.8
105.01853	25.4
105.07002	2.9
107.08579	27.0
109.02863	60.8
109.10142	19.4
111.08051	3.4
111.11696	10.4
112.84022	1.8
113.09627	10.6
115.03896	3.6
117.01810	6.0
121.06487	2.0
121.10117	34.4
123.11660	10.3
125.09620	9.0
127.03900	96.2
128.04239	2.1
129.01813	7.6
135.11690	16.5
136.10896	2.0
137.05992	1.7
137.13223	15.1
139.11153	7.5
143.41362	2.0
145.04944	30.8
147.02832	6.6
149.13242	4.4
151.14838	4.0
153.12718	17.9
159.02863	34.8
177.16356	68.0
178.06261	1.9
178.16705	2.9
189.04004	2.1
192.10680	2.0
195.17413	68.4
213.03841	3.7
213.18462	48.9
231.05002	19.3
232.31926	1.8
237.18422	3.0
255.87079	1.9
299.08936	2.5
331.79376	1.9
386.72137	1.9
461.10712	9.3
461.23715	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85593	1.1
53.03923	2.4
55.01867	1.3
55.05497	7.8
67.01862	3.4
67.05483	9.7
69.03400	2.7
69.07061	4.4
69.08318	1.3
70.53503	1.2
71.04977	4.4
71.61857	1.3
79.05469	11.8
81.03426	6.2
81.07045	12.8
83.04977	3.1
83.08597	3.3
85.02908	1.8
91.05453	22.3
93.07029	9.1
95.04947	7.1
95.08592	5.5
97.02881	2.0
97.06508	4.1
97.10146	1.8
103.05448	1.5
105.07016	9.1
107.04934	7.1
107.08562	5.0
109.06515	3.0
109.10117	3.1
114.50737	1.1
115.05427	3.1
117.07008	3.9
119.08580	5.1
121.02818	1.9
121.06525	3.9
121.10114	2.7
123.11684	1.5
125.09579	1.9
128.06216	2.8
129.06993	4.3
131.04898	2.7
131.08492	7.2
133.06465	3.9
133.10101	4.2
135.04439	2.0
135.08038	2.4
137.09592	1.2
139.07524	1.7
141.07065	1.5
143.08543	3.7
145.06468	5.2
145.10114	3.2
147.04424	2.1
147.08066	2.8
147.11703	2.1
149.05942	2.9
149.09576	1.9
149.13205	2.2
151.07506	7.1
155.08586	2.0
157.10065	1.8
159.07962	3.7
159.11617	2.1
161.05901	4.0
161.09579	1.7
163.03900	3.2
165.09097	5.7
166.06244	2.6
167.07030	3.2
171.08015	1.8
171.11662	1.7
173.05988	2.1
176.08301	3.6
177.05453	2.5
178.06213	14.6
179.06960	4.1
181.08531	13.3
188.08221	1.5
189.05443	2.1
189.09183	1.3
189.11195	2.4
191.07043	2.9
195.06427	1.5
199.07504	2.4
199.68903	1.3
201.05431	2.7
203.06958	1.6
205.04887	2.6
205.08643	1.5
207.10146	1.6
209.08054	3.6
213.12694	1.3
215.07076	2.2
216.07707	1.6
217.15884	2.3
219.06560	4.7
219.10123	1.6
225.08876	1.8
226.09691	1.4
229.04906	2.5
231.06473	2.3
232.07262	2.0
239.07202	1.5
244.07225	2.0
245.04573	2.0
247.09576	2.9
254.09393	3.6
255.06387	2.6
257.11710	4.4
260.06860	3.5
270.08862	3.7
275.09326	1.8
283.06003	12.6
285.07758	2.1
285.11127	18.5
288.06265	3.5
298.08246	11.1
299.09100	5.0
300.06033	1.4
303.08636	13.0
307.09763	3.2
311.05463	4.5
313.10629	78.8
315.08463	1.8
321.09894	2.1
325.06958	1.8
325.10675	5.0
335.09058	17.6
341.10089	6.5
341.13776	1.5
345.13226	8.2
349.10635	2.9
350.11285	1.6
351.23138	4.7
353.10208	3.5
355.15332	12.1
357.13293	3.4
363.08676	3.5
365.13864	15.1
369.24234	5.4
373.12717	1.8
383.15051	8.7
385.12717	3.1
387.24899	3.0
393.13232	4.6
401.11084	2.1
401.15897	25.1
405.26370	1.5
411.14297	12.3
415.17471	12.8
425.16193	2.2
429.15335	12.0
443.16946	100.0
443.27628	5.0
444.17200	6.8
461.16864	4.1
461.28839	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	461.1802
Annotation	Mallotucin B
Peak:m/z	Relative Intensity
52.88988	2.7
53.03921	5.0
55.01856	5.9
55.05504	14.7
57.03421	5.0
58.29533	2.5
60.25278	2.7
65.03928	5.5
67.05499	30.5
68.99760	6.7
69.03423	3.8
69.07034	10.1
70.01933	14.6
71.04960	6.0
79.05485	38.1
80.07327	2.6
81.03388	11.7
81.07051	32.1
82.83068	3.3
83.04945	4.4
83.08591	9.0
85.02915	3.1
85.06537	3.5
91.05467	56.7
93.07026	27.0
94.10028	2.9
95.04962	15.9
95.08602	19.5
97.02863	2.9
97.06505	11.4
97.10158	6.4
103.05450	8.2
105.03332	4.1
105.07019	32.4
106.43401	3.3
106.47779	2.8
107.04948	17.4
107.08595	17.0
109.06477	8.1
109.10132	9.3
111.04414	6.3
111.15885	3.3
115.05429	8.6
117.07017	31.3
119.04893	4.7
119.08570	21.3
121.02853	9.4
121.06494	21.3
121.10123	3.3
123.04418	4.8
123.08080	7.0
123.11703	4.2
125.05958	11.8
125.09621	4.6
128.06174	6.5
129.07034	15.3
131.04857	4.1
131.08563	22.6
133.06444	15.2
133.10120	13.7
135.04419	5.2
135.08041	28.1
135.11743	5.5
136.05188	12.1
137.05937	8.0
137.09666	3.8
138.06668	3.7
139.03925	3.0
139.07504	3.5
141.06972	4.6
142.07692	3.5
143.08542	13.4
143.13554	3.1
145.06461	17.3
145.10086	8.8
147.08025	8.2
147.11647	4.8
149.05968	51.0
149.09598	8.6
149.13269	3.7
151.07530	48.5
153.05463	27.3
155.08521	8.3
157.06453	5.1
157.10164	6.8
159.08072	7.7
159.11642	4.4
161.05956	8.4
161.09633	4.6
163.03900	10.7
163.07541	8.9
164.04550	3.0
165.05435	6.1
165.09131	8.6
166.06213	5.5
167.07047	21.9
168.07825	41.6
169.10066	4.7
171.08035	4.2
171.11630	6.2
173.05959	15.7
175.07455	5.5
177.05435	30.3
177.09032	4.2
178.06204	28.4
179.07010	13.4
181.08562	76.6
181.10123	5.2
187.07504	13.3
189.05518	3.0
191.07019	24.2
193.04979	4.6
193.08516	4.3
195.06519	17.0
199.15013	3.5
201.05460	6.0
205.04939	6.4
205.08557	40.3
205.10268	4.1
206.05556	3.2
209.08054	6.7
215.06984	6.9
217.15997	4.6
219.06482	43.7
220.07143	6.8
221.07941	6.2
222.10164	3.5
223.07547	3.0
227.06834	3.8
233.07971	4.7
235.07460	3.2
239.06871	4.6
239.10739	3.5
247.09641	4.2
251.09103	9.4
254.09222	4.0
255.06390	4.3
265.08560	6.4
270.08887	3.8
271.09674	3.1
275.09067	7.9
277.08624	4.8
283.05963	19.1
283.09390	5.5
285.07584	3.5
285.11108	9.3
286.08530	3.7
291.10144	3.4
293.10364	5.5
294.08865	4.7
297.07788	4.1
297.11063	5.2
298.08228	10.3
298.11719	4.4
299.05640	6.9
299.08908	3.7
301.10645	3.2
303.08737	6.9
307.09641	5.5
309.11148	10.9
311.09000	11.8
313.07086	5.7
313.10605	54.1
313.13968	4.3
316.05157	5.1
317.05511	5.3
323.09076	3.6
323.12646	6.9
323.23450	4.3
325.10553	6.5
326.11349	7.5
327.08719	5.2
327.12225	10.5
328.09195	3.5
329.10159	8.2
333.22055	3.3
335.09131	8.9
339.08472	8.5
339.12192	5.6
341.10052	7.0
341.13800	12.7
341.24933	6.9
345.09512	4.5
346.10309	5.4
347.10144	13.0
351.12292	6.7
351.23151	14.0
353.10071	3.7
355.11633	12.5
355.15399	11.7
357.13220	10.0
365.13815	10.0
369.09146	4.2
369.13342	36.9
369.24063	26.4
370.13995	11.3
371.10794	3.7
381.09616	3.2
383.15042	31.2
385.12988	13.8
387.14215	8.9
387.25070	10.1
393.13489	3.8
397.16794	5.3
401.15970	37.9
411.14380	24.3
415.17368	28.2
425.15805	9.3
429.15408	84.2
433.18347	5.7
443.16968	100.0
443.27255	17.8
444.17102	3.3
461.17969	56.5
461.28784	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	461.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01858	3.3
55.05495	5.2
56.43201	1.5
67.01856	2.8
67.05497	11.6
69.03400	2.7
69.07054	4.5
69.24949	6.7
69.25372	8.9
71.04977	4.2
71.57201	1.1
79.05482	11.9
81.03397	6.3
81.07040	12.8
83.08613	3.4
85.02892	2.2
86.15837	1.4
91.04939	2.1
91.05468	26.4
93.07052	8.7
95.04949	8.3
95.08594	6.1
97.02850	1.7
97.06509	5.7
97.10145	3.4
105.07019	11.6
107.04936	6.5
107.08570	7.3
109.06496	4.5
109.10132	4.0
111.08025	2.1
113.15111	1.3
117.07008	5.7
119.08555	4.7
121.02856	1.7
121.06489	7.2
121.10107	4.0
125.05923	2.0
125.09566	2.5
128.06175	1.9
129.06989	4.0
131.04921	1.9
131.08562	7.8
133.06483	2.3
133.10106	5.7
135.04391	2.0
135.11664	1.7
137.09558	2.0
141.06915	2.1
143.08508	5.8
145.06439	6.7
145.10123	2.7
147.04361	2.1
147.08031	3.5
149.02313	1.8
151.03923	1.7
151.07541	7.0
153.05418	3.0
155.08559	2.0
157.06395	2.8
159.08080	2.1
159.11696	2.1
161.05969	2.8
161.09558	1.9
163.03830	3.7
163.07497	2.1
165.06985	1.8
165.09085	5.5
166.06209	4.2
167.07022	5.1
168.07762	2.0
169.06319	2.1
169.10017	1.7
171.07997	2.6
173.05942	3.1
173.09639	2.1
175.07500	2.0
176.08334	3.7
177.05417	3.3
178.06232	13.5
179.03510	1.7
179.07016	4.1
181.08565	20.3
189.05429	2.7
189.11238	2.0
191.06981	4.4
195.06499	2.8
200.04628	2.0
201.05470	3.6
203.06902	1.8
205.04961	3.8
205.08615	1.6
205.12300	1.5
207.10173	4.3
209.08058	5.4
211.07547	2.2
215.07001	3.2
216.07677	2.3
217.04921	2.5
217.15843	1.7
219.06535	4.8
219.10042	1.9
223.03883	2.5
223.07481	1.8
227.06885	2.3
229.04979	2.0
231.02945	1.9
232.07257	2.0
244.07205	2.5
246.05205	3.5
247.09642	3.1
254.09290	1.8
255.06425	3.6
257.11661	5.7
259.05966	2.4
260.06717	2.6
265.08609	1.9
270.08844	4.8
279.10156	2.3
283.06006	12.9
283.08777	2.1
285.11185	20.8
288.06284	3.8
298.08383	10.0
299.09137	4.3
303.08594	14.9
307.09473	3.7
311.05417	4.2
313.10641	87.2
314.11160	3.4
315.08505	3.3
316.05884	1.5
321.09753	3.2
325.10709	4.2
329.10052	2.5
335.09094	21.2
339.08511	2.0
341.10129	9.8
342.10669	2.1
345.09485	2.4
345.13208	7.5
349.10526	2.9
351.22922	2.3
353.10028	4.6
355.11703	2.1
355.15363	17.0
357.13290	4.1
363.08606	3.4
365.13794	14.7
369.24127	6.8
371.10849	1.7
383.10950	1.9
383.14951	12.0
385.12622	1.8
387.25275	2.6
393.13156	6.1
401.15936	28.4
411.14304	11.8
415.17703	11.6
425.15915	3.9
429.15372	17.7
443.16989	100.0
443.27322	4.6
444.17236	4.5
461.14862	3.0
461.28903	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	461.1072
Annotation	Tenuecyclamide A
Peak:m/z	Relative Intensity
53.03920	0.7
55.01853	1.0
62.68628	0.5
63.43870	0.6
65.03928	0.9
67.01849	0.7
67.05502	1.3
68.99789	1.4
69.03416	3.6
69.83488	2.4
79.05463	1.3
81.03403	1.1
81.07059	0.6
83.04974	0.7
85.02916	0.9
86.09693	0.6
89.03928	0.8
91.05466	1.7
92.99762	2.5
93.03389	0.7
93.07068	0.6
94.63425	0.5
95.04951	1.2
95.08574	0.8
97.02843	0.7
97.06499	0.6
103.05478	1.5
105.03376	2.1
105.07080	0.8
107.04935	2.6
109.02866	1.6
109.10174	0.7
114.15713	0.5
119.01276	1.1
119.05005	0.9
119.08560	0.6
119.55640	0.6
121.00130	0.5
121.02851	1.9
121.06509	1.1
123.04389	1.3
131.04922	3.4
132.85445	0.5
133.02861	1.7
133.06494	0.8
135.04419	1.5
136.05176	1.0
137.02335	0.9
137.05881	0.7
143.01305	0.8
147.00703	0.9
147.04391	2.4
149.02335	1.5
149.05995	1.8
151.03806	0.7
151.07515	3.4
153.05461	1.3
157.06439	0.5
159.04361	1.5
161.02322	1.9
161.05937	0.9
163.03879	3.2
163.07526	1.0
164.04643	1.8
165.07025	0.7
165.09045	0.6
167.07045	1.6
173.02338	0.5
175.03922	1.1
177.05417	2.6
178.06226	8.1
179.03435	2.1
179.06993	5.4
181.05011	0.8
181.08595	1.7
189.01790	2.5
191.03477	0.6
191.06981	4.8
193.04895	0.6
193.08586	0.6
195.06441	3.8
199.07582	0.6
203.03426	0.6
205.04982	1.9
205.08598	1.4
206.05815	0.6
207.02911	3.7
209.08078	5.5
211.07669	0.7
213.05496	0.7
219.06519	1.7
221.08185	0.8
223.07465	1.0
225.09102	0.8
227.07137	0.6
229.05011	0.8
231.02985	0.7
233.00798	1.5
237.05443	0.7
238.06335	0.7
239.07080	1.1
241.08601	0.7
243.06760	0.6
246.05334	1.0
253.05159	0.9
255.06436	1.1
257.11823	0.6
265.05005	1.2
266.05573	0.7
267.06555	2.0
267.51291	0.7
268.07465	0.6
269.04352	0.9
271.06113	0.9
279.02844	0.6
279.06635	1.1
280.03568	1.2
281.04446	1.1
281.07986	1.3
283.06000	2.3
285.07550	0.7
294.05359	0.6
294.08829	1.1
295.02536	0.7
295.05908	6.8
296.06796	2.1
297.03925	1.8
297.07590	1.1
298.08432	1.6
299.05399	1.7
299.09149	2.7
307.05832	0.7
309.04147	0.8
309.07614	1.9
310.04825	1.1
310.08231	6.4
311.05515	3.3
311.08835	0.8
312.06073	1.6
313.07101	1.3
313.10593	1.1
315.05026	1.1
315.08673	0.6
315.12247	0.7
319.02597	0.8
321.04150	0.8
322.04739	0.6
322.08334	1.2
323.01764	1.5
323.05478	3.2
324.06293	0.9
325.07022	1.3
326.07916	2.3
327.08676	1.9
329.06464	0.8
337.07019	1.0
338.04117	1.3
338.07864	5.8
339.04932	2.0
340.05753	1.7
341.02954	0.8
341.06458	1.4
341.10275	3.6
343.08182	0.8
343.11768	1.9
345.09793	1.3
347.07660	8.2
349.06985	1.1
351.04950	3.9
353.06512	1.3
353.10202	2.6
355.08145	1.4
356.05365	2.6
359.07541	2.7
366.07285	7.2
367.04459	1.9
369.05786	1.1
369.09714	5.6
371.07608	4.3
371.11493	1.4
381.09796	3.3
382.06927	1.0
384.08594	0.8
387.10648	0.8
393.07990	1.3
395.04050	1.2
397.09183	10.3
399.10760	3.2
415.10190	4.2
425.08578	2.3
431.03925	3.2
433.11319	7.7
443.05139	0.6
443.09653	29.1
461.10718	100.0
462.10989	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	461.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32300	0.3
50.77330	0.3
55.01819	0.6
55.05465	0.3
58.02334	0.3
60.29531	0.3
61.19930	0.3
67.05448	0.7
69.03365	0.5
69.07011	0.6
70.06531	0.6
79.05446	0.9
81.03366	0.5
81.06995	1.1
83.04910	0.4
83.08577	0.7
84.08093	0.9
85.02836	0.6
91.05473	0.8
95.04939	0.4
95.08564	0.8
97.02830	0.4
97.06450	1.1
98.42284	0.3
105.06965	0.6
107.04878	0.4
107.08518	0.5
109.10096	0.6
113.68324	0.3
119.08505	0.5
121.02785	0.3
121.10083	0.4
129.06967	0.5
133.10036	0.5
137.02216	0.5
137.05936	0.5
139.16188	0.3
144.62689	0.3
147.04332	0.6
149.53830	0.4
151.07462	1.0
153.61021	0.4
161.05858	0.4
165.09056	0.7
167.07014	0.6
177.05435	0.4
178.06311	0.6
183.99474	0.3
191.06996	0.5
204.75826	0.4
212.49768	0.4
278.54712	0.4
281.08054	0.4
295.02313	1.1
315.05063	0.4
319.02344	9.1
319.05463	0.3
320.02649	0.7
332.03128	3.4
333.03918	1.5
344.03104	0.6
345.03964	2.3
345.09653	0.5
347.05429	2.3
357.03790	0.6
358.04413	1.0
359.01849	0.6
360.02570	0.8
361.03210	0.5
371.05554	0.8
373.03271	1.4
375.04846	1.9
383.05652	0.5
385.03143	0.9
387.05325	0.5
388.02081	1.5
399.04773	0.6
399.14752	0.5
401.02795	6.9
401.07758	0.5
402.03104	0.7
403.04465	11.5
411.04999	1.6
415.04181	0.4
417.06091	0.9
417.11499	0.8
429.01849	2.3
430.03189	0.6
431.03931	80.2
432.04279	4.2
443.12994	0.4
445.05438	5.6
446.06400	2.7
461.08612	100.0
462.08835	5.6
486.21680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08154	4.7
53.03934	6.5
53.69014	4.8
55.05505	57.2
57.06848	5.1
57.07068	65.6
59.04985	9.2
67.05494	34.4
69.06747	6.1
69.07056	70.9
71.08624	61.6
71.62016	8.7
74.49393	5.1
79.05469	25.1
81.07043	100.0
83.08615	46.8
85.02901	4.9
85.10168	27.1
91.05444	22.8
93.07024	71.8
95.04944	14.7
95.08591	80.3
96.01524	5.7
97.10171	25.2
97.10662	5.1
99.04434	18.3
99.11739	7.1
105.07014	21.4
107.08583	77.2
109.06501	14.6
109.10138	51.5
109.13943	5.2
111.04425	7.2
111.11685	15.4
117.06953	5.3
119.08518	31.5
121.10132	74.0
123.07997	7.7
123.11732	28.2
124.12008	5.2
125.05132	7.0
125.05976	98.4
127.03921	34.8
131.08540	7.0
133.10097	19.6
135.11684	27.0
137.05949	25.9
137.09674	7.2
143.08549	6.2
145.10094	6.5
147.11629	9.3
149.09554	5.7
149.13234	32.2
151.07491	8.0
151.11240	7.3
157.10086	8.7
159.11681	12.9
161.13245	9.0
163.11201	6.1
163.14825	19.0
167.07037	17.9
173.09705	9.0
173.13145	5.9
175.11140	6.5
175.14767	6.3
185.09520	13.2
187.11139	9.7
189.09026	7.5
190.41563	5.4
193.12221	7.9
203.10672	14.9
213.12550	9.5
216.46141	5.4
217.12192	11.0
241.15536	6.8
275.27301	58.2
277.25171	10.1
315.30792	10.4
333.31427	9.1
381.31229	6.1
399.32529	14.4
441.33475	17.6
449.11566	5.6
459.29688	31.6
459.35709	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	459.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01856	0.9
55.05503	3.4
57.03423	0.5
64.87341	0.3
65.03928	0.5
67.05160	0.4
67.05496	6.2
69.07063	2.3
69.97431	1.4
71.04968	0.4
71.45534	0.3
79.05482	3.8
81.03408	4.0
81.07048	4.8
83.04952	1.0
83.08626	1.9
91.05464	3.5
93.07049	2.3
95.04965	1.9
95.08598	3.5
97.06508	1.2
97.10128	1.7
98.21461	0.4
103.05493	0.5
105.07020	2.8
107.04932	1.2
107.08569	2.1
109.06514	0.4
109.10141	6.4
111.08041	0.5
115.05457	0.5
117.07000	1.4
119.08554	4.4
121.06464	1.1
121.10138	1.1
122.07285	2.1
123.08048	0.3
123.11748	0.4
125.09628	1.0
128.06261	0.5
129.06956	1.4
131.08542	1.9
133.06505	0.6
133.10109	1.6
135.08003	0.7
135.11656	0.9
137.05969	0.4
137.09598	11.3
138.09914	0.3
143.08549	1.0
145.06454	1.4
145.10071	0.8
147.08023	0.9
147.11667	0.8
149.09583	1.2
149.13264	0.5
151.11166	0.5
153.09023	0.5
155.08562	0.4
157.10100	1.1
159.08015	0.5
159.11731	0.4
161.09587	0.4
165.09096	100.0
166.09424	2.9
171.08009	0.4
174.12721	0.4
175.11031	0.7
183.11673	0.4
189.11230	0.7
189.12762	0.5
193.12212	2.6
195.11621	0.5
205.12230	0.4
213.05984	0.3
215.14302	0.5
233.15395	0.8
255.13727	0.5
272.24615	0.4
273.14935	0.8
289.25089	0.5
315.04938	0.4
349.21719	1.0
357.24185	0.5
367.22568	1.7
368.23160	0.5
385.23746	2.0
403.24506	0.4
441.15390	0.7
441.26941	0.5
441.33487	0.9
459.16843	2.1
459.27313	6.0
459.33746	0.6
460.27621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69452	1.6
53.03926	5.4
55.01869	10.0
55.05254	3.7
55.05503	56.2
57.03428	5.6
65.03912	2.7
67.05152	3.4
67.05497	47.5
68.09272	2.0
69.03403	5.7
69.07059	14.4
71.04960	4.9
71.31900	4.6
79.05045	3.0
79.05483	50.7
81.03415	9.4
81.07042	43.3
83.04954	6.7
83.08607	26.5
85.06499	3.1
91.04944	3.7
91.05467	46.5
92.05803	2.5
93.07032	32.4
95.04975	11.1
95.08600	20.0
97.06518	3.1
97.09521	2.1
97.10149	41.6
103.05468	18.1
105.07020	37.8
107.04916	8.4
107.08575	30.8
109.06470	5.1
109.10164	10.6
111.08044	4.8
115.05435	9.9
117.07008	45.5
117.71679	2.0
119.08575	20.5
121.06461	7.1
121.10104	7.7
123.08048	4.3
123.11703	3.5
125.09611	35.2
128.06186	7.1
129.06993	23.9
131.04913	7.5
131.08554	36.9
133.06461	9.7
133.10115	10.5
135.08037	9.8
135.11703	3.8
137.09590	3.0
141.06978	9.9
143.08528	13.1
145.06473	22.5
145.10123	12.8
147.08002	7.5
147.11623	5.8
149.09569	5.1
153.06941	3.1
153.09065	5.5
154.07809	2.5
155.08531	13.4
156.09283	2.0
157.06458	5.3
157.10114	8.6
159.08026	7.5
159.11673	8.3
161.09567	3.6
163.11143	3.5
165.06955	2.5
165.09076	4.7
167.08548	6.8
169.10080	11.6
171.07994	5.2
171.11688	8.2
171.68094	2.2
173.13261	2.8
175.11279	2.1
175.14793	2.8
181.10063	2.6
183.08087	2.3
183.11676	3.5
185.09610	3.8
185.13269	4.0
187.11282	2.1
187.14822	11.4
189.11206	28.0
190.83450	2.3
191.10654	2.5
193.12195	6.0
195.11678	4.7
197.09445	3.0
197.13254	13.2
199.11157	2.1
207.11639	3.2
209.13234	4.1
211.11104	2.2
211.14861	2.4
213.12640	4.0
215.14284	68.8
223.14851	2.7
225.12796	3.2
227.12590	22.0
233.15282	6.5
237.12660	2.3
241.12209	2.4
251.14278	2.7
255.13638	2.3
271.16937	3.6
273.14911	3.9
331.20432	2.7
339.23438	6.7
349.21521	17.3
357.24133	3.9
367.22629	34.4
383.93259	1.9
385.23691	27.0
403.24652	15.3
441.20682	3.3
441.26337	43.3
441.32416	2.7
459.27292	100.0
460.27725	2.5
484.45718	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78075	1.1
52.00619	1.2
53.03923	3.4
53.30768	0.9
55.01863	9.2
55.05505	30.0
55.14349	1.3
57.03424	6.0
62.20789	1.1
65.03925	2.6
67.05144	2.1
67.05494	36.5
69.03403	5.5
69.07053	8.6
71.04965	3.0
73.75191	1.0
74.22806	1.0
79.05480	40.1
81.03403	70.7
81.07043	31.9
83.04973	8.7
83.08601	22.7
85.06511	2.3
91.05463	31.0
93.07037	20.2
95.04949	25.8
95.08591	16.6
97.02847	2.1
97.06513	9.0
97.10152	15.7
98.21406	2.7
103.05461	2.5
105.07015	25.7
107.04935	18.0
107.08579	17.6
109.02765	1.6
109.06518	5.7
109.10124	9.6
111.04425	3.0
111.08056	7.5
115.05450	4.7
117.07005	11.7
119.04912	3.0
119.08556	16.5
121.06480	12.7
121.10092	8.6
123.04374	2.5
123.08050	6.0
123.11720	1.3
125.09614	12.2
128.06172	2.7
129.06976	17.1
131.04916	6.7
131.08546	17.2
132.05675	1.2
133.06479	10.2
133.10118	6.5
135.04381	1.5
135.08060	5.6
135.11664	2.4
137.05937	1.7
137.09590	3.4
141.06970	3.7
142.07706	2.6
143.08554	10.3
144.05714	2.7
145.06467	30.3
145.10127	5.8
147.04358	2.1
147.08029	9.4
147.11673	8.6
149.05948	2.2
149.09616	6.4
151.07466	2.2
153.06996	1.6
153.09073	3.6
155.08607	6.7
157.06461	7.6
157.10083	12.3
159.08008	5.6
159.11687	2.8
161.05960	3.7
161.09615	3.5
163.03929	1.5
163.11205	2.4
165.06909	1.5
165.09091	4.0
165.12677	1.9
167.08560	2.6
169.06453	2.5
169.10097	3.5
171.07985	6.0
171.11646	4.4
173.09668	3.1
175.07565	1.9
175.11140	10.7
177.12682	1.5
178.06236	5.1
181.10088	3.5
183.08038	2.7
183.11674	2.7
185.09592	2.7
185.13177	2.0
187.11203	2.8
187.15005	1.4
189.09035	2.0
189.11191	7.0
189.12650	2.6
193.12209	41.7
193.15921	1.4
195.08078	2.8
195.11684	4.8
197.09572	3.5
197.13275	4.5
199.11116	3.7
201.12863	1.5
203.14307	2.3
205.12152	2.6
209.13206	2.0
211.11208	2.8
211.13098	2.0
213.12733	3.2
215.14287	3.2
223.11177	2.0
225.12608	1.8
227.14323	4.6
229.67230	1.2
231.13756	2.4
233.15379	4.2
237.12730	5.2
239.14261	1.7
243.13945	2.0
245.15456	1.2
247.13486	1.2
249.14783	2.0
251.14223	1.6
255.02855	3.1
255.13690	8.3
258.11832	1.5
259.13196	1.5
269.04645	1.7
269.15161	1.9
271.16901	2.3
273.14819	23.8
275.16510	1.8
283.16934	1.9
287.05322	2.2
287.16373	2.6
298.86502	1.2
301.18015	1.4
311.16473	2.8
315.04926	9.2
315.08273	2.3
321.22211	1.9
330.07083	2.6
331.20541	1.6
337.60397	1.2
339.23032	6.8
345.09503	7.0
349.21539	18.7
350.21808	1.3
357.09680	5.1
357.24139	4.2
367.22607	45.4
368.22955	4.4
383.11023	2.2
385.23718	42.1
386.24063	2.9
403.24719	8.5
405.23978	3.4
411.10684	13.0
412.10925	1.3
423.25214	3.3
426.12836	3.3
429.11658	3.5
441.15338	16.6
441.26263	5.2
459.17029	41.2
459.27307	100.0
460.17416	6.6
460.27609	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53020	9.3
53.03926	18.3
55.01854	12.0
55.05495	25.5
57.03435	17.8
61.02909	11.6
67.05493	64.8
69.03400	49.2
69.07048	27.5
69.79248	52.2
70.06590	52.4
71.04948	10.8
72.08154	60.6
79.05484	39.9
81.03403	52.9
81.07046	70.8
83.04973	29.5
84.04501	15.5
84.08126	30.0
84.80711	8.5
85.02901	100.0
85.06520	27.5
86.06050	9.0
86.09702	43.7
87.00813	23.6
88.04051	9.9
90.05534	15.9
91.05451	63.8
93.06476	12.7
93.07020	54.4
94.85644	9.8
95.04964	58.2
95.08591	68.4
97.02896	66.3
97.06516	21.8
99.04453	14.1
99.08072	28.4
105.01830	26.8
105.07015	69.7
107.04939	23.6
107.08594	81.1
109.02876	23.2
109.06516	18.5
109.10155	68.4
114.45529	8.2
117.06985	13.0
119.04948	11.5
119.08579	96.1
121.10139	34.1
123.04459	11.7
123.08042	15.3
123.11697	12.4
125.05935	9.5
127.03904	34.0
131.08513	17.2
133.06505	9.3
133.10149	52.7
135.08020	20.1
135.11700	17.9
136.07553	13.0
137.02357	8.0
137.05959	32.4
137.09583	51.5
141.06868	9.9
145.02928	10.7
145.04955	13.0
145.06491	9.1
145.10133	17.1
147.04401	30.5
147.11670	17.1
151.05928	10.7
151.07520	11.9
163.03859	15.8
163.14845	17.8
165.05469	8.9
167.07086	10.6
175.11220	8.8
175.14818	99.8
177.05490	18.0
178.06239	10.1
191.07031	10.6
191.10687	10.3
193.15866	90.3
195.06444	9.8
201.05487	11.8
211.16962	18.0
213.05597	8.5
220.11815	30.1
221.12074	16.2
222.12196	16.8
231.05208	9.9
233.15059	9.5
279.10486	10.3
302.41867	8.6
357.09531	15.0
385.14944	11.8
459.11313	17.8
459.17288	17.8
480.61417	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	459.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.2
53.79330	1.6
55.01860	2.3
55.05491	3.4
57.03435	2.3
57.07061	1.8
67.05483	5.7
69.03412	3.8
69.07047	3.9
71.04989	3.7
79.05488	4.8
81.03419	8.9
81.07039	14.8
83.08631	2.0
83.81825	1.6
85.02901	12.8
86.09714	2.2
87.00817	4.6
91.05465	9.0
93.07050	7.9
94.03522	2.1
95.04943	2.7
95.08579	14.2
97.02869	5.7
98.21551	4.8
99.04446	1.9
99.08102	3.5
102.95666	1.9
104.59930	1.8
105.01824	2.8
105.07017	17.3
107.08595	10.4
109.02878	9.2
109.06524	2.9
109.10130	3.8
113.09622	1.8
119.08567	47.1
121.06474	2.3
121.10132	2.9
123.11658	2.1
127.03916	7.0
131.08525	4.5
133.10109	58.2
134.10423	2.2
135.08043	2.6
135.10223	1.8
135.11653	13.0
137.05969	3.0
145.10124	4.1
147.08148	1.8
147.11665	4.1
154.58720	1.8
155.08618	1.9
159.02776	1.9
163.03838	2.6
173.13300	2.5
175.14806	100.0
176.15158	3.6
177.05498	5.7
187.11113	2.3
191.10843	1.9
193.15897	11.6
202.93309	1.8
211.16878	5.6
215.44160	1.8
230.81328	2.0
247.13332	2.7
248.13641	6.2
251.12779	2.7
264.07813	1.8
309.07709	3.4
441.11880	2.2
460.12091	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01430	4.7
53.03938	8.7
55.05491	22.2
56.55964	5.3
56.96545	6.7
65.03935	6.9
67.05500	28.7
68.99797	5.1
69.03437	26.2
69.07061	9.9
69.36256	53.5
70.06583	20.7
71.04977	23.9
72.08133	9.0
79.05468	13.0
81.03432	25.2
81.07045	21.4
82.06574	6.1
83.04964	32.3
84.08118	15.7
85.02896	30.6
85.06509	5.8
86.09695	18.0
87.04475	5.3
91.05459	29.1
93.07030	18.0
95.04968	45.8
95.08614	18.7
97.02891	26.2
97.06532	11.9
98.97555	11.2
101.62189	5.4
105.07012	41.3
107.04942	34.4
107.08584	28.2
109.02835	18.1
109.06514	57.8
109.10138	20.3
111.04443	100.0
113.06016	14.6
117.06987	11.0
119.04913	8.9
119.08569	52.0
121.06503	18.8
121.10114	8.9
123.04415	17.2
123.08051	8.1
125.05977	7.3
127.03913	12.7
128.06215	7.3
129.06996	8.6
131.04973	6.7
131.08559	14.2
133.06560	5.5
133.10139	24.8
135.08069	27.2
135.11673	7.2
136.06190	12.9
136.07533	16.3
137.05968	20.7
137.09584	27.2
141.05484	7.1
143.08585	25.7
145.02881	7.8
145.04884	10.6
145.06415	6.6
145.10097	40.7
146.07275	6.4
147.04401	7.7
147.08063	61.3
147.11740	6.1
148.08769	7.0
151.03862	6.0
151.07550	10.8
155.10657	13.6
157.10132	14.9
159.08034	10.9
159.11685	42.4
161.06017	6.5
161.09607	53.3
163.07544	17.4
163.11115	10.2
164.07050	6.5
165.09102	18.7
167.07030	20.6
168.09398	6.3
172.08778	8.1
173.09596	8.0
173.13226	12.8
174.06781	7.7
175.07509	5.3
175.11148	11.7
177.05440	10.4
177.12762	9.6
181.08540	6.4
182.04950	18.5
183.11693	12.8
185.13213	7.4
187.11180	32.4
189.09097	36.1
195.02702	6.8
195.10101	9.1
201.09064	9.3
201.12717	34.1
203.10698	17.4
205.12260	16.1
207.10143	30.6
208.02820	16.4
211.11240	7.9
217.12254	13.8
219.13860	16.1
223.13237	10.3
229.12248	50.3
235.13373	14.4
247.13275	55.9
250.11786	7.0
265.14395	28.1
297.18057	7.4
327.08621	13.1
366.13055	7.4
459.12454	12.7
459.21252	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	459.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02572	1.6
56.96550	9.1
57.03422	3.4
69.03403	5.4
70.06575	3.5
70.44360	5.8
72.43033	1.8
80.77774	2.0
81.03397	4.0
85.02881	7.0
86.06055	2.8
86.37192	1.7
91.05490	2.8
97.02871	8.2
98.97562	13.0
100.00092	3.2
101.00919	2.8
107.04973	2.1
110.97549	2.7
115.03893	1.7
116.98628	10.4
118.01109	10.1
119.01892	11.4
119.04908	4.2
121.06510	2.1
121.74817	2.1
127.03933	2.6
128.98575	3.0
130.93311	2.1
131.01875	8.0
133.01669	2.4
134.99644	3.9
136.06142	2.8
137.02940	2.8
137.05966	35.4
142.01112	3.9
143.01878	8.7
145.03500	4.8
146.99641	5.1
147.04366	11.2
150.05498	2.1
155.01836	5.0
156.02650	6.6
160.02162	7.3
161.02930	18.7
168.02641	3.8
172.02223	2.2
173.02893	8.1
177.00716	2.3
177.04050	2.6
178.01012	3.0
181.03456	7.4
186.03688	5.0
195.05009	23.3
196.02170	10.3
197.02902	6.0
199.04538	3.1
201.00743	2.4
203.03969	5.3
204.02710	2.6
205.03465	3.4
213.06053	4.3
218.04166	3.1
219.01804	4.0
219.05022	26.0
221.03091	3.3
221.05013	12.8
222.03659	9.1
223.04510	9.7
231.05035	6.6
233.06638	3.2
233.10362	1.9
236.05252	4.3
237.02740	5.5
237.06046	26.6
240.04785	4.9
241.03627	2.5
243.01738	2.2
244.04257	100.0
245.04663	3.7
246.03734	2.6
247.04453	6.1
248.05301	2.9
249.06108	7.4
250.06697	2.6
251.07785	2.8
253.03903	2.8
259.04398	8.9
260.05197	3.2
261.06015	14.9
262.05310	16.3
264.04785	19.3
276.04504	3.3
278.06180	2.6
279.07153	19.5
280.07193	3.6
288.04916	2.4
291.07001	5.6
297.08176	4.2
300.04709	3.6
302.05182	2.7
307.06656	17.2
309.08163	4.1
313.05869	3.5
320.07092	2.5
321.08185	20.7
333.08182	4.0
336.06787	6.6
339.09149	2.4
348.06876	71.6
349.07263	6.4
351.09302	3.9
363.09152	28.8
366.08054	11.2
381.05377	4.0
381.10263	81.4
382.10220	5.5
389.09616	2.8
399.11356	55.7
400.11578	3.2
417.12271	4.2
459.13367	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	459.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01829	1.4
55.05507	4.0
57.03405	0.9
67.05498	5.9
69.03394	0.9
69.07060	3.6
71.04933	1.2
75.26368	0.3
77.03020	0.3
79.05486	7.5
81.03411	7.6
81.07048	6.7
83.04922	1.6
83.08604	2.6
91.04957	0.4
91.05468	6.6
93.07037	3.8
95.04963	4.1
95.08595	2.7
97.02851	0.6
97.06521	7.7
97.10160	2.2
98.20667	0.9
105.04456	0.5
105.07021	5.3
107.04956	3.3
107.08591	2.6
109.06463	1.0
109.10153	3.2
111.08031	0.6
115.05400	0.7
117.06938	1.4
119.08560	2.8
121.06451	1.7
121.10083	1.2
123.04390	1.2
123.08015	0.8
125.09555	1.3
129.07016	2.2
131.04897	0.9
131.08578	2.6
133.06459	1.0
133.10133	2.7
135.07980	0.9
135.11661	0.9
137.02280	0.5
137.05891	0.6
137.09549	0.7
141.06940	0.6
142.07700	0.5
143.08522	1.0
145.06496	2.7
145.10039	0.8
147.04378	0.6
147.08009	1.2
147.11664	2.1
149.09592	0.8
149.13187	0.5
151.07455	0.7
153.01799	1.7
153.08992	0.6
155.08511	0.9
157.06479	0.6
157.10071	1.7
159.07980	0.5
159.11696	0.8
161.05991	0.7
161.09532	1.0
163.03857	1.6
163.11127	0.5
165.09105	2.2
165.12781	0.5
167.06989	1.8
167.08415	0.9
169.06342	0.4
170.01994	0.6
171.08003	0.8
171.11658	0.8
173.09564	0.6
175.11131	1.6
177.05434	0.5
178.02588	0.9
178.06239	6.7
181.10017	0.4
185.09547	0.6
189.11151	0.7
191.03557	0.4
193.12190	3.1
195.11671	0.7
199.11163	0.7
211.13205	0.8
211.17000	0.4
213.05510	0.7
213.12532	0.5
215.14159	0.6
216.04146	1.7
217.04942	1.0
227.14221	0.4
228.04185	0.5
231.06474	1.8
233.15379	0.5
241.04851	0.9
243.06607	0.9
244.03645	1.5
253.04715	0.5
255.02879	10.0
255.13968	0.5
259.05954	3.7
269.04410	3.3
273.14871	1.2
281.04492	0.8
283.02249	2.0
283.05646	0.7
284.02991	1.1
284.06543	0.7
285.04065	0.6
285.07339	0.5
287.05472	11.6
288.05939	0.5
297.03864	2.3
299.05460	1.6
300.02667	4.3
301.07135	0.7
311.05472	0.9
312.06354	2.1
313.07104	1.4
314.07742	0.5
315.04956	57.7
316.05380	2.4
317.10162	0.9
329.06454	1.4
330.07285	27.0
331.07715	0.7
345.09650	100.0
346.10004	3.2
349.21548	1.6
355.07904	0.5
357.24072	0.8
367.08032	1.0
367.22693	4.4
383.11218	0.5
385.12549	0.7
385.23615	4.1
393.09424	0.7
397.12747	1.5
403.24747	0.8
411.10718	4.8
423.14124	0.6
429.11810	0.6
441.15466	15.8
441.25949	0.6
442.15479	0.9
457.34448	0.4
459.16489	33.4
459.26978	11.3
460.16876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.2
69.03410	4.8
69.44538	7.0
70.56471	0.9
78.70641	1.1
82.64382	1.0
85.02885	4.4
87.04449	2.5
88.93475	0.9
94.06486	1.3
97.02859	2.8
98.97546	2.4
115.03913	1.4
118.91470	0.9
119.01952	1.2
121.72281	1.1
123.47764	0.9
127.03912	1.3
131.01903	1.4
133.04948	1.9
137.05907	2.4
137.58778	0.9
138.05539	1.2
158.99597	1.0
195.04979	1.3
201.00687	1.4
203.03966	1.6
204.22713	1.1
219.01683	2.1
219.05072	1.0
221.05035	2.1
237.05971	1.5
244.04231	3.9
245.05124	1.3
251.04362	1.1
257.05948	1.3
266.06451	3.6
267.07025	1.0
277.05902	0.9
279.07120	2.0
307.06635	1.5
333.05634	1.1
336.06741	1.2
348.06906	2.7
381.10208	4.2
390.97824	1.0
395.85583	1.0
399.11490	2.5
418.02884	1.1
459.08835	100.0
460.09293	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	459.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	1.0
55.05492	0.8
57.03408	0.8
65.03922	0.5
67.05470	1.5
68.14885	0.6
68.99773	1.2
69.03413	1.3
69.07045	1.0
69.54339	3.7
70.06571	1.2
71.04984	0.8
72.08131	0.9
72.69262	0.5
79.05455	1.1
79.97437	0.5
81.03409	2.6
81.07027	1.8
84.08112	2.0
85.02882	2.5
86.09671	1.0
91.05452	2.8
93.03384	0.7
93.07014	1.3
95.04937	1.0
95.08569	1.2
97.02851	2.5
97.06541	1.3
98.21466	1.1
103.05453	1.2
105.06986	1.8
106.02901	1.2
107.04937	1.9
107.08539	0.6
109.02864	2.7
109.10153	0.7
111.04445	0.6
115.05413	1.8
117.07005	2.7
119.04907	2.1
119.08546	3.8
120.08907	1.6
121.02846	2.8
121.06465	0.6
124.03948	4.1
125.04269	1.3
127.03870	1.1
131.04915	2.0
131.08549	2.9
132.08852	1.5
133.10106	4.8
134.10452	2.0
135.04439	1.1
137.02301	0.9
137.05908	0.6
141.01828	3.3
141.02789	0.7
143.08548	3.2
144.05661	2.6
144.08896	2.4
145.02773	0.7
145.06462	5.8
145.10036	1.1
146.10425	1.5
147.04395	8.2
149.02316	2.0
153.01770	2.4
153.05418	0.6
155.06065	1.0
157.06485	0.9
158.10904	6.4
159.11237	5.8
161.05942	1.6
162.85706	0.6
163.03897	3.1
165.01813	18.3
167.03372	6.1
167.07109	0.7
171.04382	2.7
173.13248	19.1
174.13573	17.4
175.03894	0.6
175.07390	0.6
175.14763	2.1
176.15173	0.7
177.01784	2.2
177.05473	1.9
178.06284	0.8
181.04956	1.2
183.02850	8.1
187.03882	1.4
189.01746	0.9
189.05402	0.7
191.03340	3.1
195.02905	4.0
203.03413	0.8
205.04971	1.6
207.02858	0.8
215.03333	0.9
233.04233	0.6
237.08977	0.6
243.02875	0.9
247.07364	0.6
255.06482	1.0
261.03879	0.7
263.06897	1.0
265.08658	1.3
278.05585	1.3
279.06458	0.7
291.06549	1.0
292.07199	1.9
293.08029	5.2
295.05917	4.0
297.07532	5.6
305.07880	1.8
307.09579	6.5
309.07532	100.0
310.07913	4.1
314.03305	0.6
315.05093	0.6
321.07507	9.1
321.11249	2.5
323.05582	0.9
323.09189	4.3
326.07324	0.7
331.09583	1.1
333.07648	2.7
333.68155	0.6
334.08228	0.8
335.05377	1.7
335.09076	18.9
337.06900	1.5
339.08591	72.9
340.08923	3.1
347.08978	2.3
349.06866	0.7
349.10629	16.0
359.09106	3.3
363.08594	37.9
364.08923	1.5
375.08585	11.9
377.10117	2.9
382.13513	1.3
387.08600	9.9
393.09647	19.4
395.11511	0.6
400.14676	1.1
405.09622	19.5
406.10052	1.0
423.10715	23.0
441.11826	11.5
442.12180	0.9
459.12936	4.6
459.20978	0.8
460.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
67.05500	0.8
69.03403	0.9
69.07055	1.8
69.37891	3.2
70.40709	0.3
71.46305	0.3
78.03458	1.5
79.05473	0.6
81.03407	1.9
81.07036	0.6
85.02888	0.8
91.05457	1.9
93.25927	0.3
95.08562	0.4
96.04449	0.4
97.02864	1.2
105.07017	3.2
106.02880	3.4
109.02856	1.0
109.06477	0.5
112.05599	0.3
115.05357	0.4
117.07015	1.0
119.08563	8.8
119.44931	0.3
124.03938	14.1
127.03930	0.5
128.06187	0.6
129.06973	1.1
130.07846	0.5
131.08549	9.2
133.10114	11.7
142.07755	0.7
143.08537	13.2
144.09364	1.7
145.06554	0.4
145.10104	7.3
147.04366	0.4
147.11641	0.6
157.10083	1.5
158.10893	30.3
159.11342	0.6
165.01810	1.0
171.04379	0.4
171.11687	1.2
173.13240	100.0
174.13609	2.0
175.14816	6.3
192.14729	0.5
250.07072	1.6
252.35966	0.3
268.08133	1.0
293.07898	0.5
297.07617	0.4
304.75235	0.3
307.09506	0.4
309.07532	6.8
321.07385	0.8
335.09048	0.9
339.08636	4.7
349.10605	1.0
363.08527	1.6
375.08463	0.7
377.10455	0.4
381.13306	0.5
387.08527	0.4
393.09698	1.1
399.14279	1.0
405.09558	1.0
407.19785	0.3
423.10709	1.0
441.11472	0.9
443.94113	0.3
451.07642	0.4
458.15137	1.9
458.21573	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	457.3671
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03945	6.0
55.05497	11.0
57.07057	11.6
64.59575	5.3
67.05491	30.3
69.07050	44.8
69.42782	50.7
79.05491	26.5
81.07035	58.5
83.08581	15.9
85.55942	6.1
87.89851	6.3
88.07603	6.7
88.48868	6.5
91.05450	13.7
93.07034	40.2
95.04926	7.9
95.08591	100.0
97.10137	10.0
98.20777	13.5
98.55098	5.5
101.38249	5.2
105.06999	18.6
107.08569	78.4
108.10673	5.2
109.10136	78.2
111.08102	6.0
111.11695	18.3
119.08574	43.7
121.06445	6.4
121.10105	46.9
123.08053	9.2
123.11678	37.0
125.09580	8.4
131.08614	12.5
133.10081	31.9
135.08061	7.6
135.11697	33.0
137.09578	13.2
137.13235	20.6
145.10089	11.4
147.11670	15.4
149.13229	20.8
155.10480	7.8
157.10178	5.5
159.08075	6.6
159.11652	15.0
161.13245	11.5
163.14729	26.6
165.09088	30.9
171.11726	7.0
173.13263	15.9
175.14792	17.3
177.16354	13.4
187.14790	12.4
189.16354	15.9
191.17986	8.9
200.20071	9.8
201.12730	6.9
201.16327	10.0
203.18028	7.6
205.15901	5.9
205.19437	14.1
217.15930	9.6
219.13722	11.1
219.17392	20.9
231.17398	9.1
243.21060	7.5
273.22391	7.3
284.26764	13.1
315.26962	10.6
421.34470	40.9
439.35645	69.8
457.36282	53.7
457.44183	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	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01852	9.4
55.05489	11.9
57.03423	5.9
63.26485	2.8
66.71831	2.9
67.05479	9.4
69.03423	30.6
69.07043	8.9
70.06582	5.5
71.01285	3.1
71.04964	11.0
71.59291	5.0
73.02897	5.1
79.05476	11.4
81.03413	27.2
81.07044	34.5
83.04951	11.2
83.08605	16.1
85.02899	41.7
86.09663	5.8
87.00816	13.5
91.05462	10.2
93.07027	17.6
95.04951	100.0
95.08591	8.2
97.02890	32.4
97.06508	10.8
99.04444	32.9
103.03925	3.7
105.01830	8.7
105.07011	12.8
107.08595	19.7
108.19422	3.0
109.02872	25.5
109.06512	16.2
109.10141	19.1
111.04405	4.2
111.08090	7.6
119.08568	9.9
121.06473	5.8
121.10128	17.1
121.72860	3.2
123.08054	11.9
123.11662	4.6
125.05961	5.3
125.09575	3.5
127.03901	37.4
129.01875	3.6
131.08530	4.5
133.02844	16.1
133.06409	3.2
133.10089	18.2
135.08023	26.7
137.05960	14.0
137.09639	3.1
139.11124	6.7
145.04918	7.9
145.10164	4.4
147.08063	4.8
149.05919	9.6
149.09598	6.2
149.13243	11.4
151.07518	10.7
151.11125	4.1
153.09055	31.5
159.02858	8.2
161.05887	3.1
163.03893	5.9
165.12759	3.8
167.14297	10.9
171.11632	3.5
173.13249	15.2
175.03821	4.8
181.12181	9.4
189.03911	7.7
191.14301	27.9
201.12427	5.3
207.13824	6.9
209.15314	58.6
229.11812	4.2
231.04906	6.5
315.13373	5.8
316.13828	17.3
325.10797	9.0
429.08939	3.8
439.19266	5.8
457.14929	6.7
457.24493	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	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42417	0.3
53.03933	0.6
55.01871	0.7
55.05491	1.2
67.05473	1.1
69.03419	3.0
69.07045	1.2
70.06580	1.9
70.61828	0.4
71.04979	0.6
71.62080	0.3
71.62433	0.5
72.08123	0.7
79.05479	6.6
81.03413	1.8
81.07050	4.3
82.06574	0.4
83.04961	0.8
83.08581	0.4
84.08107	0.6
85.02886	2.4
86.09694	1.3
87.00800	0.8
87.04458	0.9
91.05470	3.2
93.07037	6.5
95.04936	1.8
95.08586	1.2
97.02892	2.2
97.06532	0.7
99.04411	0.7
100.07574	0.6
100.11218	1.2
103.05461	0.9
104.07090	1.0
105.01881	0.5
105.07013	10.7
106.07778	0.5
107.04951	3.0
107.08566	1.1
109.02859	1.2
109.06493	4.3
109.10123	0.4
111.04386	0.5
119.04874	0.5
119.08563	2.6
120.08072	0.6
121.06503	3.9
121.10123	15.9
123.08037	2.9
123.10896	0.5
123.11630	1.8
127.03884	3.1
127.07436	0.4
128.07066	0.6
131.08575	1.0
133.02808	1.0
133.07605	1.1
133.10094	0.5
135.08031	0.5
135.11673	0.4
136.07564	0.6
137.05949	1.2
145.02853	0.4
145.04897	0.6
145.10081	0.4
147.11624	0.4
149.09595	100.0
150.07707	0.8
150.09927	1.5
151.11154	5.4
163.03957	0.5
166.08675	0.7
167.06964	0.4
167.10645	1.1
177.05444	1.0
182.15417	0.8
188.03723	1.0
191.14282	15.8
191.26018	0.4
196.13229	0.5
209.15387	1.3
210.14954	1.1
214.14427	0.5
238.48158	0.4
265.11752	0.9
335.32169	0.4
422.30173	0.9
440.31274	1.4
457.20456	1.2
457.33765	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	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01859	0.7
55.05497	1.2
65.03932	0.7
67.05502	1.6
69.03423	4.1
69.07049	1.2
70.06579	1.6
70.09731	2.7
70.10154	1.4
71.04977	0.7
73.02879	1.0
79.05473	5.3
81.03404	1.6
81.07045	3.8
83.04964	1.3
84.08127	1.1
85.02890	3.5
85.06519	0.8
86.09715	1.1
87.00800	0.7
87.04453	1.1
90.65347	0.7
91.05447	3.4
93.07041	7.1
95.04951	2.2
95.08569	1.0
97.02872	4.9
99.04443	1.1
103.05455	0.9
105.01871	0.8
105.06355	0.8
105.07018	10.7
107.04942	3.6
107.08538	1.7
109.02881	1.9
109.06481	3.4
119.08572	2.3
121.06507	4.2
121.10135	16.8
121.38747	0.6
123.08036	2.4
123.11673	2.4
125.09602	0.9
127.03897	2.5
131.04898	1.1
131.08553	1.4
133.02826	3.1
133.07524	1.1
133.10147	0.9
135.08047	1.2
137.05913	1.0
139.10933	0.7
145.10129	0.8
145.27473	0.7
149.09596	100.0
150.07742	0.9
150.09973	1.9
151.11185	5.2
159.02725	0.8
164.07039	0.8
167.10641	1.0
173.13252	0.8
175.03918	1.4
177.05438	1.4
182.66545	0.7
191.14272	16.9
209.15338	3.4
325.10629	1.3
353.12097	0.7
457.15894	1.4
457.23355	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	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01852	9.4
55.05489	11.9
57.03423	5.9
63.26485	2.8
66.71831	2.9
67.05479	9.4
69.03423	30.6
69.07043	8.9
70.06582	5.5
71.01285	3.1
71.04964	11.0
71.59291	5.0
73.02897	5.1
79.05476	11.4
81.03413	27.2
81.07044	34.5
83.04951	11.2
83.08605	16.1
85.02899	41.7
86.09663	5.8
87.00816	13.5
91.05462	10.2
93.07027	17.6
95.04951	100.0
95.08591	8.2
97.02890	32.4
97.06508	10.8
99.04444	32.9
103.03925	3.7
105.01830	8.7
105.07011	12.8
107.08595	19.7
108.19422	3.0
109.02872	25.5
109.06512	16.2
109.10141	19.1
111.04405	4.2
111.08090	7.6
119.08568	9.9
121.06473	5.8
121.10128	17.1
121.72860	3.2
123.08054	11.9
123.11662	4.6
125.05961	5.3
125.09575	3.5
127.03901	37.4
129.01875	3.6
131.08530	4.5
133.02844	16.1
133.06409	3.2
133.10089	18.2
135.08023	26.7
137.05960	14.0
137.09639	3.1
139.11124	6.7
145.04918	7.9
145.10164	4.4
147.08063	4.8
149.05919	9.6
149.09598	6.2
149.13243	11.4
151.07518	10.7
151.11125	4.1
153.09055	31.5
159.02858	8.2
161.05887	3.1
163.03893	5.9
165.12759	3.8
167.14297	10.9
171.11632	3.5
173.13249	15.2
175.03821	4.8
181.12181	9.4
189.03911	7.7
191.14301	27.9
201.12427	5.3
207.13824	6.9
209.15314	58.6
229.11812	4.2
231.04906	6.5
315.13373	5.8
316.13828	17.3
325.10797	9.0
429.08939	3.8
439.19266	5.8
457.14929	6.7
457.24493	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	457.1487
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.30993	0.4
55.01863	0.8
55.61637	0.3
57.03429	0.5
60.24335	0.4
61.36923	0.3
67.05502	2.0
68.99773	1.3
69.03413	0.3
69.07056	3.5
69.87965	0.3
71.04987	0.4
71.10802	0.6
71.11149	0.5
71.46095	0.3
73.98499	0.3
79.05479	4.0
81.07037	1.2
89.13004	0.3
91.05436	0.4
95.04941	0.6
95.08608	0.5
97.06519	20.2
107.04930	1.0
107.08560	0.8
109.10144	0.4
121.10147	0.3
123.08093	0.4
125.05936	0.4
130.15935	0.3
133.06470	0.7
133.10120	0.5
135.04384	0.9
137.05917	0.4
139.00189	0.8
139.03856	0.8
145.26855	0.4
147.04411	0.6
151.07523	0.9
161.05927	0.5
162.06747	0.6
163.03911	3.0
164.04674	1.0
165.05450	0.9
165.09062	0.4
166.99846	0.4
167.07034	1.3
168.00545	1.6
169.01352	0.7
175.03893	0.4
177.05450	0.5
178.06232	9.8
179.03418	0.5
179.07019	1.8
180.07742	0.4
185.00798	2.8
186.01572	3.5
191.03355	0.7
191.07103	0.8
193.08554	0.7
194.09314	0.6
205.04953	0.5
221.04536	0.3
229.04927	0.6
232.03705	0.4
235.09578	0.5
246.05084	0.8
257.04453	0.8
258.05157	0.4
269.04425	0.5
271.02438	0.6
274.04721	1.5
275.05603	0.9
282.07437	0.5
284.03079	0.5
285.03888	1.6
287.01944	0.4
287.05283	0.5
298.04745	0.6
299.02325	0.4
299.05447	0.8
301.03534	0.4
301.06912	0.5
303.05096	1.8
313.03418	1.2
315.04974	0.8
315.08353	0.7
316.05746	0.8
317.06543	0.7
327.05054	0.9
328.05704	1.0
328.09399	0.7
329.03015	0.7
329.06586	1.1
331.04449	8.5
331.08096	2.3
341.02933	0.7
345.05869	0.9
346.06766	5.6
347.07693	0.4
355.07886	0.5
357.05817	0.8
359.07626	0.8
361.09097	8.2
371.07361	0.6
383.07443	1.1
399.10776	1.2
413.12234	1.1
427.05371	0.4
427.10187	11.2
441.12177	0.6
442.12698	2.6
457.14874	100.0
458.15164	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	457.1484
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.03943	0.6
53.33698	0.3
55.01862	2.1
55.05513	0.8
57.03415	0.8
61.13960	0.3
65.03925	0.5
67.05482	1.7
68.99763	2.1
69.03422	2.0
69.07053	3.1
69.47121	0.6
69.47531	2.4
74.53610	0.3
79.05480	2.9
81.03391	1.4
81.07045	2.7
83.01323	1.1
83.04951	0.8
83.08603	0.3
85.02888	1.1
87.00813	0.7
90.15596	0.3
91.05462	1.8
93.07028	1.2
95.04948	1.4
95.08594	1.1
97.02894	2.9
97.06513	2.6
98.20733	0.7
99.04444	0.6
103.05474	0.8
105.01846	0.4
105.03377	0.5
105.07003	0.9
107.04914	1.8
107.08558	1.2
109.02856	1.2
109.06503	3.5
109.10143	0.8
111.08154	0.3
115.05441	1.0
117.06992	0.5
119.04915	1.0
119.08572	0.9
121.02841	0.5
121.06507	1.3
121.10123	1.1
123.04409	1.3
123.08034	0.7
123.11687	0.6
125.05970	0.5
127.03877	1.1
129.07024	0.4
131.04875	0.7
131.08559	0.7
133.02821	1.2
133.06474	1.9
133.10100	1.0
135.04349	1.7
135.08011	0.4
135.11668	0.4
136.05196	0.9
137.05966	1.4
137.09584	0.7
139.00208	0.4
139.07533	0.7
141.06871	0.5
143.04860	0.5
145.04918	0.4
145.10123	0.3
147.04401	1.5
147.08083	0.5
147.11742	0.4
148.05191	0.6
149.02274	0.4
149.05977	1.5
149.09581	0.6
149.13214	0.4
150.06764	0.5
151.03899	1.2
151.07518	3.7
151.11134	2.9
153.05443	1.3
157.06548	0.4
159.02946	0.3
159.04384	0.7
159.11656	0.3
161.05927	1.6
162.06747	1.2
163.03874	4.9
163.07457	0.6
164.04659	1.8
164.08327	0.3
165.01765	0.5
165.05441	1.7
165.09094	2.0
165.12714	2.0
167.07057	2.7
168.00526	1.0
168.07779	1.1
169.01263	2.9
169.06503	0.4
171.04381	0.7
173.05984	0.6
173.13376	0.3
175.03908	1.5
175.07507	0.4
177.01833	0.7
177.05495	2.1
178.02711	0.5
178.06223	15.2
179.03336	1.7
179.07030	6.6
180.04198	0.4
180.07794	0.8
181.01315	2.2
181.04868	0.8
181.08554	2.0
182.29778	0.3
183.02864	0.7
185.00880	1.2
186.01543	1.1
187.03841	0.3
187.07462	0.5
189.05418	2.9
189.09119	0.4
191.03398	2.0
191.06961	2.8
191.14316	1.0
192.04132	1.0
192.07710	0.7
193.04962	2.2
193.08557	5.2
194.07423	0.3
194.09399	1.7
195.02901	1.1
195.06429	0.7
195.10149	1.0
197.05894	0.4
198.01582	1.9
199.02318	2.3
199.03911	0.5
201.05437	1.1
203.03365	0.7
203.07095	0.4
205.01366	1.5
205.04970	1.3
206.05655	0.5
207.02884	3.5
207.06505	0.8
208.03552	0.6
209.00845	0.4
209.04401	0.5
209.15334	6.7
211.02354	0.7
212.03128	0.4
213.05415	0.6
215.07198	0.5
217.04919	1.8
218.05659	1.0
219.02898	2.0
219.06473	1.2
220.03587	1.1
221.04424	2.5
223.02397	2.4
224.03322	0.4
225.03938	0.4
229.04987	0.9
231.06525	0.6
232.03589	0.7
233.04404	1.8
233.08061	0.4
235.06033	2.0
236.06596	0.6
237.03882	2.9
238.04741	1.5
243.06441	0.4
245.04364	3.7
246.05197	2.3
247.06079	1.1
253.07048	0.7
254.07863	0.4
257.04440	1.0
259.05942	0.5
263.05502	0.9
264.06161	0.6
265.07047	1.3
271.05966	0.8
281.04593	0.3
283.06003	0.4
285.03839	1.0
289.06976	0.6
295.06110	0.4
297.03827	0.5
298.04791	0.4
299.05508	1.2
302.04462	0.5
303.05035	0.4
307.09521	1.0
309.07498	0.4
311.05582	0.5
313.03372	2.2
313.06897	0.8
314.04254	0.7
314.07785	1.0
315.04980	0.9
315.08554	0.5
317.06525	2.5
325.03369	0.4
325.07129	0.4
325.10681	1.3
327.05011	1.7
329.03137	0.5
329.06592	4.9
331.04404	2.3
331.07867	0.6
335.08884	0.4
337.07028	0.6
337.10904	0.4
339.08490	0.7
340.05692	0.6
341.06628	0.6
342.07233	1.6
343.04443	3.8
343.08124	0.7
345.05960	3.1
346.06863	2.2
353.06454	0.4
355.08011	0.7
357.05948	1.0
358.06760	1.1
359.07715	1.5
360.08347	12.9
361.09100	9.0
362.09512	0.5
367.08200	1.0
369.09708	0.7
371.07532	1.2
372.08099	0.7
373.09113	12.5
374.09302	0.5
381.09619	1.1
382.10254	0.5
383.07468	1.1
384.08127	0.4
385.09116	2.5
386.09872	0.6
387.06885	0.9
387.11160	0.7
395.11151	0.8
399.10684	5.4
400.11310	0.5
401.12186	1.6
409.09119	2.1
411.14563	0.7
413.12119	5.6
414.12906	1.0
423.10480	0.4
424.11456	0.5
427.10007	0.7
429.15454	3.4
439.13821	8.1
442.12369	0.7
457.14871	100.0
458.15186	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	456.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
54.27518	0.7
54.81958	0.7
55.01843	1.2
55.05506	1.4
57.03424	4.2
59.04982	1.9
61.02908	1.7
66.17846	0.8
67.05489	0.8
69.03423	11.2
70.06593	2.3
70.07137	2.3
70.07547	1.6
71.04970	1.2
71.08636	4.1
72.08187	0.8
77.12466	0.7
79.05471	1.4
81.03404	2.2
81.07048	15.6
83.08601	0.6
84.08125	1.4
85.02894	21.3
85.06532	1.8
86.06097	0.9
86.09666	1.3
87.04466	4.9
91.05505	1.0
95.04961	0.8
97.02877	9.1
98.20811	1.0
99.04460	1.0
99.08091	7.6
109.02874	1.8
109.06506	19.6
109.30675	0.9
115.03902	3.8
121.02843	0.9
123.04421	1.3
127.03881	3.4
127.07545	25.8
131.04918	0.9
133.04964	5.0
136.07610	0.7
137.02325	0.8
145.04976	6.8
145.08583	100.0
146.08865	1.1
150.05423	1.1
150.07584	1.1
163.03859	1.8
163.05994	2.8
177.05673	0.8
240.07355	1.8
258.08386	2.1
294.10056	0.9
307.13855	4.9
326.09006	0.8
361.02090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.148
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.03930	0.5
55.01863	0.9
55.05486	0.4
57.03414	0.5
66.64913	0.3
67.05485	1.0
68.99776	3.6
69.03417	1.3
69.07063	2.2
69.60188	1.7
69.60596	0.7
70.06574	1.1
79.05490	2.4
79.41041	0.3
81.03396	1.2
81.07042	1.2
83.04964	0.5
84.08125	0.7
85.02897	1.5
85.06537	0.3
86.09676	0.7
87.00784	0.5
89.03883	0.4
91.05463	2.1
93.07036	0.8
95.04945	1.6
95.08626	0.4
97.02878	9.6
97.06514	7.4
99.00803	0.4
99.04421	0.3
103.05445	0.4
105.03374	3.4
105.07011	1.1
107.04932	0.9
107.08575	0.8
109.02843	1.1
109.06468	0.6
111.08058	0.4
117.03349	0.6
117.06991	0.4
118.04183	0.3
119.04934	1.3
119.08556	0.5
121.06478	0.8
122.03612	0.4
123.08030	0.5
127.03883	1.0
131.08534	0.5
133.02826	8.1
133.06433	0.9
133.10095	0.5
135.04373	1.9
135.08011	0.5
137.05931	2.1
139.00259	2.5
139.03891	0.4
145.02834	0.5
145.06596	0.3
147.04382	1.9
149.02280	0.3
149.05963	1.8
149.09584	0.7
150.03088	0.5
150.06758	1.3
151.03889	0.4
151.07483	0.7
153.09073	0.3
157.03883	0.4
157.06468	0.5
161.05951	1.1
162.06711	1.2
163.03894	3.8
163.07550	0.4
164.04651	1.0
165.05453	1.9
165.09103	1.1
166.99779	0.4
167.07024	0.9
168.00500	1.5
169.01283	1.0
173.06062	0.5
173.13287	0.5
175.03891	2.5
177.05484	2.1
178.06215	8.9
179.06975	2.3
185.00784	2.0
186.01540	1.9
189.05424	0.6
191.03401	1.6
191.06987	1.6
191.14307	1.1
193.08539	2.4
194.09244	0.6
195.06555	0.5
201.05434	1.1
203.03339	0.4
203.05203	0.7
205.04892	0.8
205.06558	0.7
206.05740	0.9
207.06480	0.4
209.15332	0.9
211.07414	0.3
213.05453	0.5
217.04903	0.5
218.05647	0.5
219.06410	1.6
221.06094	0.4
221.08022	0.6
228.04152	0.4
229.04810	0.7
231.02802	1.6
231.06445	0.4
233.06018	0.4
237.80792	0.3
241.04991	0.3
243.06499	0.5
245.04433	0.9
245.07932	0.5
246.05183	4.6
249.05476	0.4
254.65718	0.4
255.02934	0.4
257.04462	0.7
259.02353	2.2
260.03040	0.4
260.06778	0.8
270.05307	0.8
271.02441	0.4
271.05814	0.5
273.03964	0.6
274.04666	9.4
275.05392	0.6
277.03387	1.3
277.17703	1.1
283.02252	0.3
285.04010	1.4
287.01791	0.5
288.06281	0.9
289.06976	0.3
292.05661	0.7
293.08060	0.4
295.18741	0.7
297.11246	0.3
299.02032	0.3
299.05423	1.1
301.03372	2.7
302.03970	0.4
303.04950	1.4
310.20081	0.3
312.06223	0.4
313.03397	1.4
315.04889	1.0
316.02237	0.6
316.05725	5.8
317.06439	1.4
325.10626	3.2
327.04913	0.6
328.05756	1.1
329.02850	1.7
329.06561	1.6
331.04391	5.0
331.08029	29.8
332.08374	1.1
345.05945	0.9
346.06812	3.2
359.07547	14.3
360.08102	1.0
361.09134	4.4
383.07602	0.6
399.10464	0.4
400.18817	0.3
411.10495	0.3
427.10153	7.9
441.11346	0.4
442.12564	1.0
457.14816	100.0
457.23984	29.1
458.15158	4.1
458.24466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01869	2.1
55.05503	8.5
57.03445	1.8
57.07066	2.1
60.03858	1.9
65.03921	4.4
67.05504	20.0
68.99792	4.0
69.03418	4.7
69.07066	15.3
70.06593	4.1
71.08412	3.8
77.03935	1.7
79.05499	12.4
81.03408	5.6
81.06590	3.6
81.07049	32.0
83.04973	3.3
83.08607	6.4
84.08148	1.8
85.02901	4.3
87.00848	1.9
91.05470	39.8
93.07043	18.5
95.04953	5.4
95.08596	31.6
97.02884	7.2
97.06522	4.6
97.10166	3.9
105.07030	15.5
107.08582	24.3
109.02859	7.3
109.06475	2.6
109.10151	28.3
111.04432	2.9
111.08046	2.7
119.04934	43.9
119.08565	14.4
120.05238	3.0
121.10152	21.4
123.08045	3.2
123.11718	11.4
125.05991	2.3
125.09621	3.8
127.03888	2.7
129.01869	3.4
131.08589	7.4
133.10101	9.0
135.07976	2.9
135.11682	15.5
137.09648	4.5
137.13231	4.9
145.02852	2.4
145.10097	18.8
147.04396	35.3
147.11694	10.6
149.09604	2.8
149.13254	8.9
151.11104	2.2
157.03996	2.7
157.10132	3.4
159.08022	2.3
159.11688	11.9
161.13280	7.7
163.07428	2.6
163.11203	3.8
163.14784	4.3
165.09160	6.5
167.07069	3.7
171.11598	1.9
173.09590	3.3
173.13269	6.7
175.03893	62.6
175.11165	3.3
175.14769	3.5
177.05469	3.4
177.09117	2.4
177.16422	3.7
179.06985	3.5
179.10579	2.2
185.05829	2.2
185.13255	3.0
187.07469	2.1
187.14819	7.6
189.16415	3.6
191.10629	2.3
191.17937	20.8
195.11534	1.9
199.14861	2.7
201.16397	21.1
203.17926	6.1
205.15852	2.3
205.19487	2.2
207.06511	100.0
208.06953	6.2
217.19627	4.5
219.17369	4.7
233.15446	3.2
247.16914	10.5
263.09073	3.3
265.17804	2.4
287.09503	2.1
291.08582	9.1
314.40408	1.9
315.08646	2.9
333.09598	2.2
395.07666	2.9
409.12943	3.1
437.12619	2.1
437.34113	4.2
455.15887	4.3
455.35620	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	455.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05500	12.8
57.03444	1.2
57.07061	5.3
65.03955	1.2
67.05495	20.1
69.03404	1.5
69.07056	18.7
69.60993	7.8
79.05473	15.2
80.37687	0.9
81.07042	54.4
83.08609	9.9
85.06557	1.0
91.05462	12.3
93.07031	41.4
95.04947	3.1
95.08593	86.3
97.02866	1.0
97.06521	2.2
97.10155	5.5
101.87393	0.9
105.07018	29.2
107.08579	68.8
109.06512	3.3
109.10141	51.1
110.83418	1.0
111.04440	1.1
111.08089	4.2
111.11720	1.9
117.07005	4.5
119.04938	2.4
119.08561	45.3
121.06483	2.2
121.10127	51.1
123.08086	3.5
123.11691	40.4
124.11961	1.2
124.18276	1.0
125.05910	1.3
125.09616	2.3
129.06964	1.4
130.07776	1.3
131.08546	16.8
133.06551	1.1
133.10112	26.8
135.08054	3.6
135.11674	37.7
137.09602	2.1
137.13234	10.1
139.07555	1.3
142.07715	1.1
143.08577	2.8
144.09363	1.2
145.10104	57.6
147.11667	27.0
147.12840	1.1
149.09651	5.2
149.13249	25.0
151.14818	2.8
155.08455	1.1
157.10132	7.8
158.10907	2.6
159.11670	45.5
160.12399	1.0
161.09608	1.8
161.13239	26.6
163.11168	4.1
163.14796	15.1
169.10123	1.3
171.11688	5.4
172.12451	1.8
173.09721	1.5
173.13246	26.8
175.03978	1.6
175.11136	2.5
175.14803	12.5
177.05515	1.3
177.09113	1.2
177.12743	2.1
177.16374	8.0
183.11714	1.5
185.13232	4.2
187.14798	25.0
189.12738	3.0
189.16374	12.1
191.10616	1.4
191.17915	100.0
192.18282	2.0
193.12286	1.7
195.10136	1.6
197.13261	1.3
199.14821	3.8
201.16357	82.3
202.16621	1.8
203.14444	1.3
203.17929	18.3
205.12280	1.8
205.15923	5.8
205.19431	7.7
207.06558	3.8
207.13791	1.8
211.14706	1.9
213.16394	2.6
215.14374	1.5
215.17870	2.0
217.12193	1.2
217.15988	1.3
217.19485	16.7
219.13869	4.1
219.17397	25.5
219.21034	2.2
221.15308	1.1
227.17874	1.6
229.15813	7.4
229.19484	1.8
231.13742	2.4
231.21074	1.5
233.15352	15.0
243.21085	1.2
245.15315	2.6
245.22678	2.3
247.16891	37.5
247.19342	2.0
251.16402	2.3
259.16956	3.0
263.16528	1.2
265.18030	8.4
277.18109	1.0
287.20187	1.4
289.21219	1.0
301.21509	1.4
303.19778	1.2
391.33640	1.7
403.54208	1.1
409.34433	4.7
437.34000	8.9
455.35181	49.7
456.35507	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05505	14.3
57.03431	6.1
57.07055	7.9
60.56171	3.8
65.03934	3.5
67.05494	34.7
69.03416	4.8
69.07059	20.3
71.04992	3.9
71.60555	4.4
78.52031	2.9
79.05477	20.0
81.03410	8.1
81.07042	66.7
83.04967	7.8
83.08611	8.8
85.02906	5.2
85.06534	2.7
91.05468	41.1
93.07027	48.3
95.04964	9.0
95.08595	83.0
97.02888	7.1
97.06515	9.6
97.10148	6.8
103.89000	3.2
105.07018	31.2
107.08584	68.0
109.06498	6.9
109.10142	60.6
111.04395	3.9
111.08041	3.3
111.11699	3.1
115.05472	3.1
117.06996	6.9
119.04922	24.7
119.08564	47.4
121.10123	51.1
123.08044	4.9
123.11684	35.7
125.09618	6.0
127.03902	4.7
127.07595	3.1
129.01773	3.8
129.06987	4.2
130.07733	3.7
131.08588	16.2
133.10123	36.7
135.11668	43.1
137.05937	3.6
137.13242	13.0
145.02841	3.2
145.10106	53.2
147.04364	28.8
147.11676	24.6
149.09618	8.2
149.13239	24.4
151.11113	3.3
151.14827	3.5
157.10133	9.9
159.07999	3.5
159.11664	48.2
161.06035	4.1
161.09599	5.7
161.13248	28.0
163.11191	4.8
163.14801	16.2
165.09077	4.6
167.07076	5.7
168.43933	2.8
169.10072	3.6
171.11670	4.6
173.13258	22.9
175.03885	38.0
175.11238	3.5
175.14809	12.2
177.16367	9.4
185.13234	5.4
187.11209	3.5
187.14813	26.1
189.11154	2.9
189.16374	12.8
191.17923	100.0
193.31909	3.0
199.14824	4.6
201.16360	72.6
203.17888	20.0
205.12315	5.0
205.15869	8.4
205.19533	10.1
207.06503	61.1
207.13751	2.7
213.16360	3.4
217.19467	16.2
219.13875	4.2
219.17400	26.9
219.21011	3.5
223.87718	3.2
229.05382	3.0
229.15887	5.0
233.15370	11.2
245.15376	3.5
247.16919	37.1
251.16287	5.3
259.16913	3.7
263.09070	3.5
265.17987	9.3
285.07364	3.1
315.08713	3.1
319.84558	3.0
366.60730	2.8
368.55447	3.5
409.34406	4.2
418.59424	3.3
437.34048	11.4
455.13898	8.0
455.35275	54.0
456.35760	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	455.3514
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05493	7.4
57.07067	3.9
60.21737	1.5
61.41800	1.3
67.05501	9.7
67.55941	1.7
69.07069	8.1
70.12647	1.5
71.08607	2.8
71.33486	1.5
71.63938	2.0
79.05480	8.7
81.07042	19.9
83.08594	5.9
89.24655	1.4
91.05476	5.5
93.07036	13.6
95.08598	20.7
97.06518	2.2
97.10154	6.4
99.08115	2.5
105.07015	11.8
107.04965	2.1
107.08583	21.1
109.06493	3.1
109.10146	12.8
111.08073	3.0
119.08559	26.8
121.06544	2.1
121.10136	14.8
123.08067	2.5
123.11701	6.2
125.05988	7.5
125.09640	1.7
131.08554	5.1
133.10109	24.6
135.08015	4.5
135.11674	25.8
137.09555	3.5
137.94617	1.7
139.07481	3.7
143.08569	4.0
145.10094	11.2
147.07837	1.6
147.11641	16.9
147.12590	1.9
149.13234	4.3
151.11122	2.0
155.08606	1.7
156.09164	2.0
157.10114	4.6
158.10878	1.8
159.07980	2.3
159.11656	6.2
161.09544	2.2
161.13208	4.0
163.11185	2.0
163.14827	7.4
169.10123	3.2
171.11696	2.9
173.09636	8.3
173.13261	3.1
175.11195	7.3
177.09081	5.3
177.16386	2.4
185.13193	2.2
187.11145	12.2
187.14809	8.9
189.16353	48.2
191.10667	4.7
197.13202	4.6
199.14882	2.7
203.17918	2.7
205.15871	5.7
205.19533	2.3
207.17409	97.4
211.14851	3.1
213.16350	2.1
215.14275	19.7
217.15746	1.8
229.15840	100.0
231.03098	1.8
231.17419	10.1
233.15326	34.5
243.17316	5.4
247.16890	27.2
257.18933	2.8
269.18912	2.0
283.20520	4.7
419.33023	3.4
431.98288	1.7
437.34131	42.4
438.34628	3.4
455.35168	98.3
456.35718	3.0
475.63074	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	455.3515
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.40621	0.6
54.71010	0.6
55.05492	0.9
55.24168	0.6
57.70802	0.5
57.86967	0.6
60.31431	0.6
67.05496	2.3
69.07058	4.4
69.97208	3.4
79.05469	1.4
81.07052	5.1
83.08608	0.6
91.05465	1.6
93.07036	3.2
95.04945	0.6
95.08592	9.1
95.74041	0.6
98.20766	1.0
99.16364	0.6
104.00714	0.5
104.26717	0.5
105.07043	2.8
107.08568	3.9
109.06503	1.1
109.10143	3.9
111.11687	0.7
119.08582	6.3
121.06507	0.9
121.10121	4.3
123.11683	2.5
131.08572	2.5
133.10106	5.0
135.08087	1.1
135.11684	3.1
137.09546	0.7
137.13232	1.8
143.08513	1.4
145.10123	4.4
147.11664	1.4
149.13156	1.2
157.10088	2.0
158.10898	1.4
159.11723	2.9
161.09639	1.3
161.13246	2.2
163.14832	0.9
169.10211	0.8
170.10939	0.8
171.08145	0.7
171.11714	0.8
173.09669	1.3
173.13234	11.1
175.11153	1.1
175.14862	0.7
177.16394	0.7
185.09659	0.7
185.13287	1.7
187.11191	0.8
187.14854	2.4
191.17995	1.9
203.18050	0.7
205.15921	1.5
209.13243	0.8
213.12767	1.7
213.16327	0.7
219.17432	0.7
227.14349	1.7
229.15895	1.1
231.17453	0.9
233.15356	3.1
369.31396	0.6
375.56363	0.7
401.32129	1.3
419.32813	1.7
437.34149	13.0
438.34534	0.9
455.35190	100.0
456.35538	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	455.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06176	0.7
53.03927	2.6
53.87798	0.7
55.01849	0.7
65.03922	1.6
67.05479	3.0
69.03413	3.9
69.07047	0.8
70.06572	2.6
70.42966	1.0
70.43313	2.8
71.04980	2.9
81.03403	25.8
81.07048	1.2
83.04947	1.5
84.08150	1.4
85.02868	1.7
85.06525	1.0
86.09686	0.8
87.04441	1.3
91.02511	0.8
91.05449	5.4
93.03377	2.2
93.07034	2.0
95.04956	10.1
95.08600	8.0
97.06504	3.5
99.04456	1.1
101.05981	0.9
105.06986	1.1
106.81277	0.8
107.04918	0.9
107.08569	1.6
109.02857	21.0
109.28305	0.8
110.03272	1.1
110.25608	0.7
111.04419	1.6
113.05959	1.4
114.80984	0.8
116.07090	0.8
117.06995	3.3
119.04933	1.1
119.08562	39.8
120.08864	1.9
121.02834	6.0
121.06444	1.0
123.04433	2.2
123.08035	3.3
127.03903	3.4
129.07008	4.5
134.85480	0.8
139.03918	4.7
139.07523	3.3
145.10126	2.4
147.04417	1.7
147.08002	11.7
149.02072	2.4
149.05945	1.9
156.09314	1.3
158.07335	1.1
159.11433	0.9
162.20410	0.9
163.11154	2.8
163.54677	0.8
164.07101	0.8
171.11716	1.7
173.09604	4.2
175.07520	100.0
176.07863	3.1
177.05443	1.1
179.06898	0.8
185.05956	1.0
191.10672	2.3
193.08595	1.7
199.11124	3.2
205.12257	1.9
215.10687	2.7
217.12277	1.9
219.10124	10.9
233.11688	32.1
234.11984	1.3
261.11185	51.6
262.11612	2.5
267.08759	1.1
279.12256	9.6
311.07397	1.4
329.08548	3.5
339.67365	0.8
382.46112	0.9
393.11868	1.1
395.09219	1.3
430.23355	0.8
437.18152	2.8
455.11536	43.2
455.21085	4.9
456.11578	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	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17454	0.7
65.48855	0.7
65.77297	0.9
69.76440	1.6
69.76845	4.3
76.81091	0.8
94.93056	1.0
159.27586	0.8
293.67508	0.9
314.65240	0.9
381.05872	0.8
455.11569	100.0
456.12061	5.2
474.56342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95731	0.3
53.00302	0.4
53.03928	0.6
55.01860	0.4
55.05500	1.1
57.03428	0.4
59.04985	0.4
61.02916	4.6
65.03931	1.5
67.05495	2.8
68.99779	5.2
69.03423	2.3
69.07053	0.9
70.20426	1.4
71.04982	0.6
77.03913	0.8
79.05465	1.4
81.03405	1.6
81.07047	2.4
83.04962	0.4
83.08592	0.4
85.02898	0.7
87.00828	1.4
89.03918	0.5
91.05468	26.4
92.05785	0.6
93.07028	1.5
95.04963	0.5
95.08599	2.2
97.02861	0.6
97.06547	0.7
98.20592	0.3
98.82337	0.4
103.05459	0.7
104.79665	0.3
105.03371	0.8
105.07002	2.0
107.08591	2.3
109.02872	2.4
109.06519	0.6
109.10136	1.9
115.05424	0.4
117.07024	0.9
118.04130	0.6
119.04929	34.6
119.08547	1.6
120.05202	0.4
121.10133	1.6
123.04378	0.7
123.11692	1.0
127.03881	1.9
129.01807	5.4
129.03365	1.0
131.04941	0.5
131.08536	0.8
132.01147	0.4
132.02016	2.1
133.02831	0.4
133.06470	0.6
133.10144	1.7
135.04393	0.5
135.11665	1.4
136.05124	0.5
137.05917	0.4
143.08502	0.5
145.02831	1.1
145.06505	0.3
145.10107	0.6
147.02945	1.4
147.04391	30.7
147.11632	0.6
148.04742	1.1
149.02298	1.5
149.09563	0.4
149.13216	0.6
151.03889	0.4
157.03954	3.0
157.10167	0.4
159.07971	0.4
159.11699	0.4
161.05922	1.0
161.13232	0.7
162.03111	0.4
164.04686	1.4
165.09061	0.8
167.07079	2.0
167.08290	0.5
169.06442	0.5
169.10080	0.4
171.11697	0.6
173.13263	0.7
175.03886	53.1
175.14775	0.4
176.04265	1.5
179.06967	2.7
181.06508	0.4
185.05930	0.4
187.14787	0.6
189.05399	0.8
192.04182	0.6
199.14806	0.5
207.06500	100.0
208.06863	2.8
219.06444	1.1
225.07355	0.4
231.06635	0.8
233.18935	0.5
241.34895	0.4
245.08032	0.7
249.07533	0.9
252.49490	0.4
253.22575	0.3
256.07382	0.4
259.05966	0.4
263.09125	1.6
273.07617	1.1
287.09091	1.0
291.08572	4.4
315.08591	2.1
333.09650	0.8
406.27029	0.3
437.11090	0.5
437.34302	2.6
438.15634	0.6
455.11823	6.0
455.17825	0.3
455.35135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05490	2.9
56.67996	0.8
57.03436	4.1
57.06805	1.6
57.07068	24.9
60.45101	0.8
62.05757	1.4
62.06083	26.8
67.05492	4.8
69.07070	5.3
69.07373	0.8
69.98753	3.9
69.99168	1.3
70.07693	0.8
71.08267	1.1
71.08627	16.7
79.05500	1.3
81.07037	6.8
83.08604	5.9
85.10164	10.6
89.06012	1.0
95.08588	9.5
97.10131	2.3
97.45135	0.8
98.21382	1.1
98.60658	0.8
98.98451	6.4
101.42805	0.9
105.07018	1.2
107.08579	1.0
109.10164	4.3
119.08551	1.0
121.10176	1.1
123.11699	1.7
124.01611	1.8
128.17012	0.9
142.02591	1.0
155.01015	6.6
173.02156	1.3
181.06438	1.6
196.92751	0.9
198.05287	1.7
216.06297	2.6
225.09021	1.1
239.23647	1.7
256.26410	1.4
282.27878	14.5
287.13962	0.8
296.39038	0.9
313.27316	100.0
314.27707	5.4
393.23868	4.7
436.28253	2.1
454.33731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94133	1.5
55.05502	15.5
55.88592	1.5
57.07054	4.8
61.02936	1.6
65.03948	2.5
67.05498	20.5
69.03406	3.3
69.07059	22.0
71.04971	2.5
79.05489	17.2
81.03420	1.9
81.07047	40.6
83.08598	5.8
85.06535	1.9
91.05462	18.4
92.14973	1.6
93.07032	39.8
94.07336	2.1
95.04967	4.3
95.08591	61.6
97.06517	9.4
97.10152	4.3
101.31387	1.6
103.05502	2.5
105.03368	2.2
105.07019	34.8
107.08577	50.6
109.06496	7.1
109.10138	31.2
111.04430	1.8
111.08077	1.7
117.06935	7.9
119.08566	57.9
121.06453	2.9
121.10123	49.2
123.04381	2.8
123.08061	8.4
123.11663	12.4
125.09622	1.7
128.06230	2.6
129.06981	3.2
131.08559	15.0
133.10106	37.9
133.11040	3.1
135.08075	4.1
135.11671	34.8
137.13216	10.8
141.06966	3.3
142.07751	4.7
143.08533	13.9
144.09294	3.2
145.10104	24.3
147.08051	4.6
147.11662	24.5
149.09583	3.0
149.13246	19.0
156.09341	6.9
157.10118	33.8
159.11673	55.3
161.09622	21.5
161.13225	30.3
161.14531	1.9
163.14815	9.1
169.10152	5.8
170.10904	12.0
171.11685	22.6
173.09645	2.3
173.13234	12.9
175.11200	7.3
175.14812	22.7
177.09039	2.8
177.16391	3.3
179.10674	3.1
183.11627	3.4
184.12396	2.1
185.09549	1.9
185.13239	26.8
187.11185	3.1
187.14799	8.7
189.09071	7.2
189.12733	7.3
189.16370	22.9
191.17921	100.0
192.18304	5.2
193.08519	3.5
195.10161	5.5
197.13232	4.5
199.14790	51.6
201.16386	11.6
203.10605	2.4
203.14290	17.8
203.17918	26.2
205.12250	2.2
205.19518	9.8
206.81258	1.7
207.10146	16.2
209.13382	2.1
213.16351	2.6
215.17963	4.0
217.12401	3.5
217.15878	40.2
217.19379	12.9
219.13683	2.4
221.11610	3.4
221.15266	2.6
227.14224	1.9
231.13803	12.8
233.15398	4.1
235.13196	2.0
243.13716	2.5
243.21217	2.0
245.15323	48.4
247.16934	3.3
249.14818	5.2
261.14783	1.8
263.16373	11.7
285.18365	2.2
325.21790	2.1
333.58112	1.9
383.25513	2.2
407.32709	2.2
423.06317	2.9
435.32785	10.2
453.15289	5.8
453.27817	3.9
453.33636	52.0
454.16708	2.1
454.33850	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	453.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33224	4.6
53.03926	13.0
55.01850	11.8
55.05502	34.9
56.80475	4.3
57.03413	17.0
59.04967	5.0
60.89933	4.5
61.27414	4.0
65.03922	11.8
67.05499	84.1
68.75818	4.1
69.03407	26.1
69.07057	37.7
71.04975	11.3
71.16483	11.7
79.05474	86.1
81.03397	45.4
81.07042	76.8
83.04948	16.0
83.08600	14.9
85.02897	29.4
85.06509	8.0
91.05465	90.3
93.06441	6.2
93.07031	100.0
95.04967	22.7
95.08589	58.4
97.02882	25.3
97.06498	13.5
97.10130	9.2
99.04444	10.1
105.07012	83.1
107.08578	55.2
109.02852	16.3
109.06506	18.1
109.10150	26.2
111.04415	17.8
111.08026	7.4
113.05988	5.5
115.05416	5.4
117.06972	31.3
119.08558	78.0
119.90117	5.1
121.06512	5.9
121.10133	40.7
122.10462	4.4
123.08056	8.4
125.09612	6.5
127.03876	15.9
128.41406	5.2
129.06996	23.0
131.03648	4.2
131.04852	7.3
131.08546	50.5
133.10103	63.0
135.08012	10.0
135.11661	47.9
137.13177	5.4
141.06938	11.6
142.07759	5.3
143.08556	33.7
145.10103	51.6
147.11658	50.6
149.09558	5.0
149.13197	24.6
153.01767	5.6
155.08588	7.9
157.10083	15.6
158.25653	4.5
159.08104	7.2
159.11684	38.2
161.09525	6.1
161.13223	21.6
162.96185	5.3
163.11197	5.4
167.08528	8.5
169.10039	13.2
171.11649	21.1
173.13237	17.5
175.14807	10.6
177.12688	5.5
181.10094	8.4
183.11613	11.1
185.13205	10.1
187.14740	10.1
189.16321	7.6
191.10521	5.3
195.11665	8.0
197.13342	6.1
199.14764	7.2
201.12885	6.4
209.13268	5.6
211.14845	7.0
211.75844	4.8
213.16272	5.2
215.14259	5.1
217.15817	4.9
225.12891	6.8
227.17941	6.0
239.17879	6.2
241.19482	14.5
257.18845	11.4
259.20496	52.7
261.21970	5.3
271.20648	9.0
273.18491	6.5
275.20068	10.7
277.21634	11.1
291.19489	16.2
301.21487	21.1
319.22574	8.1
339.23160	10.4
343.22845	7.5
359.22171	5.7
367.22571	20.4
385.23657	35.5
391.88113	5.0
403.24753	47.2
421.25894	43.2
423.05905	10.4
453.10757	16.3
453.16058	9.4
453.33884	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	453.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01859	1.2
55.05496	2.5
55.87818	0.5
57.03415	0.9
61.02919	5.5
65.03931	0.8
67.05495	8.2
68.99787	7.8
69.03400	1.2
69.07056	2.7
70.56098	2.0
71.01357	0.6
71.04955	0.8
73.20183	0.5
78.61043	0.7
79.05492	3.6
81.03413	3.5
81.07047	11.0
83.04961	0.6
83.08611	1.6
85.02892	4.7
85.06545	1.6
86.45181	0.6
87.00808	3.8
91.05476	15.6
93.07050	3.5
95.04967	1.7
95.08586	3.8
97.02869	1.7
97.06518	2.6
103.05452	0.6
105.03363	0.8
105.06997	3.7
107.04918	0.8
107.08585	1.9
109.06503	0.9
109.10133	2.4
111.08083	0.8
115.05444	20.0
116.06290	0.8
117.07005	100.0
118.07343	2.8
118.14860	0.5
119.08578	4.6
121.06459	0.9
121.10136	1.8
123.04395	1.4
123.08080	0.7
123.11678	1.4
125.96011	0.6
128.06235	1.0
129.01833	7.5
129.06969	2.4
131.04930	1.3
131.08571	1.6
133.06490	0.7
133.10092	2.8
135.04449	0.7
135.08037	0.7
135.11659	1.3
137.05946	1.8
141.06992	1.8
143.08545	0.8
144.05661	3.3
145.06442	5.5
145.10178	0.8
147.02896	3.4
147.08005	3.3
147.11642	1.7
151.11183	0.9
153.06958	0.7
157.06572	0.8
157.10089	1.2
159.04416	1.4
159.08093	1.6
159.11670	0.7
161.06006	3.3
161.09572	0.8
161.13235	0.7
162.06609	0.6
163.03922	0.7
165.06908	1.0
165.12579	0.7
169.06474	1.1
171.02974	0.9
171.04453	1.1
171.08047	1.0
173.06012	1.6
174.06749	3.3
175.07487	4.6
175.11130	1.4
177.05441	1.3
185.06024	1.2
186.06747	0.9
187.07541	2.9
187.13289	0.6
189.05438	0.7
189.09093	1.5
193.10582	0.6
193.12108	2.7
197.05988	1.0
199.07552	2.9
200.08252	1.0
201.05403	2.0
201.09093	1.2
202.07802	0.7
203.07010	14.9
204.07401	0.6
204.09335	0.8
211.13316	2.2
213.05563	0.6
215.07054	1.7
217.08470	3.1
219.08153	1.2
220.08797	2.3
225.09111	0.7
227.07025	3.4
229.08386	0.9
229.10342	1.2
232.07213	3.1
233.08055	2.2
235.07568	0.7
235.11194	2.4
245.08051	19.8
246.10422	0.9
251.10587	4.3
253.08600	2.2
253.12315	1.0
263.08929	1.2
265.12094	1.1
267.10162	1.0
271.09634	2.1
273.23715	0.6
277.12234	11.8
278.12457	0.9
279.13708	0.7
300.16180	0.6
303.13715	6.7
305.11612	2.0
307.13269	7.9
331.09015	0.9
331.13260	14.9
349.04956	0.8
349.09213	16.2
349.14355	26.2
350.09521	0.7
350.14575	1.7
423.06039	1.1
453.10306	1.4
453.15945	2.9
453.28589	4.8
453.34039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03933	0.8
55.01847	1.2
57.03421	0.8
58.02312	0.6
67.05489	1.5
69.03414	0.8
70.05571	2.8
70.05977	1.1
70.06557	0.9
74.44363	0.6
77.03909	0.8
79.05486	2.0
81.03419	1.2
84.08118	1.5
85.02879	4.7
86.02222	0.6
86.09714	0.7
87.04453	1.3
90.60413	0.6
91.05462	1.5
95.04941	1.9
97.02886	0.9
98.20791	1.2
99.04388	0.7
103.03918	2.2
103.05439	1.0
104.07083	2.7
105.03371	1.8
107.04935	6.5
109.02857	1.2
111.04429	1.6
119.04949	1.4
121.99418	0.7
123.04408	100.0
124.04778	1.5
129.83994	0.5
131.04910	3.3
132.10167	0.8
135.04390	40.4
137.02310	1.1
137.05901	0.8
137.52145	0.7
139.03949	0.9
147.04408	4.5
149.02344	1.2
149.05887	1.5
151.03857	1.2
153.05406	3.1
156.14427	0.6
159.04396	2.7
160.05138	0.8
161.02344	1.7
161.05957	0.9
163.03874	46.7
164.04144	0.7
165.05389	1.1
167.03355	1.9
173.05994	1.3
175.03889	4.4
177.05452	6.6
179.03375	3.6
181.04921	1.0
187.03876	1.7
189.05460	2.4
189.08975	0.7
191.03345	1.0
193.04959	1.6
195.08107	0.8
201.05457	2.1
203.03384	1.9
205.04868	0.9
211.05882	0.6
213.05467	0.8
215.03271	1.0
217.04958	1.4
219.06496	2.2
223.07494	1.4
233.04446	1.1
235.05702	0.7
237.07402	0.9
239.07193	1.0
241.05014	0.8
241.08423	1.0
245.04370	0.9
247.05901	1.1
255.06415	0.8
257.08044	1.4
259.05966	1.5
263.05475	0.7
265.08911	0.8
267.06458	1.4
269.07977	4.5
279.06436	1.2
281.73862	0.7
285.07672	1.1
287.09192	1.9
291.08594	1.0
291.19144	0.8
297.07526	13.2
311.09103	2.3
315.08624	4.7
321.07620	1.9
333.09546	3.2
339.08536	4.2
351.08536	3.4
357.09802	1.5
363.08826	1.1
369.09644	2.6
381.09567	1.9
399.10809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03924	0.7
55.01849	0.8
57.03423	0.7
57.21900	0.6
61.02885	0.5
64.15590	0.5
67.05487	0.6
69.03423	0.8
69.46469	0.5
70.06578	0.9
70.11535	2.7
77.03909	0.6
79.05457	1.0
80.46006	0.5
81.03398	0.8
84.08154	0.5
85.02891	3.2
89.03897	0.8
93.03355	0.5
93.07018	0.7
94.18401	0.5
95.04955	1.4
97.02871	0.9
103.03917	1.5
103.05450	0.7
105.03386	1.6
107.04937	7.7
107.08741	0.5
109.02865	0.6
110.24280	0.5
111.04451	1.1
115.49094	0.5
117.03334	0.7
117.06999	0.7
119.04922	1.2
121.02851	0.9
121.06439	0.9
122.32781	0.7
123.04412	100.0
124.04755	1.3
131.04915	3.4
133.02884	0.6
134.80411	0.5
135.04395	37.9
136.04671	0.9
137.02345	1.1
139.03888	0.8
145.06563	0.7
147.04378	4.4
149.02325	1.3
149.05998	1.1
151.03854	0.7
153.05453	2.6
159.04387	3.0
160.05200	0.5
161.02335	1.8
161.05910	1.1
163.03885	48.0
164.04250	0.9
165.05403	1.2
167.03419	2.7
167.08441	0.7
171.04416	0.5
173.05980	1.0
175.03937	2.9
177.05443	5.3
179.03387	4.5
187.03864	1.5
189.05438	1.9
193.04945	1.6
195.08051	1.0
197.05939	0.7
201.05489	1.9
203.03395	2.0
205.06583	0.7
213.09155	0.4
215.03304	1.0
217.04950	1.5
219.06502	2.0
223.07501	1.5
229.04921	0.9
233.04384	0.8
237.07397	0.8
241.08691	0.8
245.04303	1.1
247.05943	1.2
251.07062	1.0
255.06557	0.8
257.08014	1.7
259.05905	1.3
267.06607	1.3
269.08038	4.5
277.06992	1.0
279.06546	0.7
283.09775	1.1
285.07559	1.4
287.09213	1.4
297.07550	13.2
303.08533	0.7
311.09143	2.2
315.08557	5.4
321.07541	1.2
333.09708	3.0
339.08649	3.4
351.08591	2.3
353.10260	0.8
357.09698	1.8
363.08743	1.0
369.09741	2.3
381.09427	3.1
399.10571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
68.05007	0.9
69.03421	7.7
70.06579	1.3
71.05002	0.6
71.38798	0.9
79.05495	0.5
81.03395	0.5
81.07037	0.5
82.06538	0.7
84.08111	0.6
85.02886	1.0
86.06059	17.7
86.09673	0.5
87.04456	47.9
91.05467	0.8
91.76029	0.5
97.02867	0.8
98.09644	0.8
104.07090	100.0
106.02926	0.6
107.04937	0.8
113.88159	0.5
115.05363	0.6
119.04878	0.6
120.08108	1.0
122.45059	0.5
124.47041	0.5
133.06500	0.5
136.03906	0.6
136.07518	0.6
137.05942	1.0
137.83426	0.5
141.07007	1.1
143.04918	1.6
145.06499	0.7
147.04405	2.8
148.05138	1.8
149.05914	0.5
151.03793	0.6
153.06987	0.7
157.06570	0.7
159.04474	0.5
159.08060	1.3
161.05943	5.2
162.02228	0.9
165.01778	0.6
165.07077	0.8
166.07701	1.2
167.08559	2.0
169.06456	1.7
169.12099	0.5
173.05971	8.4
175.07545	3.7
177.09198	0.7
179.08545	1.4
181.06508	1.8
181.10086	3.1
183.08028	0.6
185.05963	2.3
187.07497	3.7
188.08302	14.5
190.09865	10.1
191.08492	2.7
192.13600	0.5
193.10126	0.7
194.07320	1.4
195.02914	0.7
195.07976	2.7
196.03195	0.7
197.05978	1.5
197.09610	0.8
198.06696	0.6
199.07516	1.6
200.08362	2.3
201.09105	2.0
203.06975	1.0
205.06685	0.6
205.08653	1.1
207.08096	1.5
209.09563	6.2
210.06824	0.6
211.07574	2.5
212.08507	0.8
213.05434	3.5
213.09009	3.1
215.03352	0.7
215.10521	1.2
217.04837	0.9
219.08058	3.0
220.10898	1.1
221.09477	0.7
223.03918	2.8
223.07590	1.6
225.05582	0.6
225.09100	5.5
226.06110	0.7
227.07150	0.8
227.10648	6.5
229.12215	2.9
231.06525	0.7
233.04503	0.9
235.07520	1.5
237.09079	9.0
238.09636	0.6
239.07034	0.7
240.07706	0.5
241.04866	2.5
241.08560	3.6
243.14919	0.5
247.07686	0.5
253.08528	5.9
255.10168	5.9
259.06033	3.3
262.10974	0.7
263.07025	1.1
265.08606	8.2
271.09628	1.6
272.14819	1.1
273.11191	5.2
277.07019	0.6
281.08011	4.6
283.09616	29.8
284.09946	0.7
290.15909	0.6
299.09088	1.1
301.10693	8.3
317.10141	1.8
319.11688	5.4
418.51468	0.5
452.18903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96016	4.2
55.05482	5.6
57.07078	24.1
59.19274	4.8
63.99316	4.4
65.27990	4.9
69.07047	15.3
70.90476	12.3
71.08609	19.4
81.07026	4.7
95.08598	8.5
105.03358	19.9
111.04657	4.4
129.06953	9.8
131.08467	8.6
133.02832	6.4
143.08456	6.4
157.06425	8.5
159.08063	8.2
171.07993	19.8
185.09573	16.0
187.07516	100.0
195.08055	5.6
195.11661	4.9
197.09589	12.5
199.07559	13.6
208.08806	4.9
209.09563	9.0
211.11137	7.7
213.09079	14.9
223.11073	6.5
224.13924	5.1
225.12593	5.8
227.10559	7.9
237.12721	6.4
239.14532	6.6
241.12151	6.6
393.31824	4.6
421.05338	18.0
433.34534	7.0
443.00168	4.6
451.10107	20.8
451.29984	5.2
451.35727	60.3
461.54880	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	451.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01846	2.4
57.03426	2.6
65.03918	1.1
67.05493	1.3
69.03422	5.7
69.03740	1.0
69.07047	1.5
69.95367	4.7
70.06581	3.9
71.04973	1.4
72.08157	1.6
79.05492	2.5
81.03413	2.9
81.04531	1.8
81.07054	1.8
82.06557	1.1
83.04986	1.0
84.04493	2.0
84.08108	1.7
85.02882	7.1
86.06066	4.5
86.09705	1.5
87.04459	12.4
91.05453	3.5
92.62359	1.0
93.07031	2.3
94.06557	2.5
95.04949	2.9
96.08091	1.4
97.02882	4.1
97.06535	1.6
99.04430	0.9
104.07098	22.0
105.03381	0.9
105.06983	1.1
106.03652	1.1
107.04936	1.6
108.08116	7.2
109.02885	1.9
111.04424	1.0
113.03250	0.9
116.01586	1.0
118.06519	4.4
119.04915	1.9
119.07344	2.9
120.08092	30.8
121.02838	2.7
121.08459	1.1
123.04434	1.8
123.08060	1.2
124.07589	6.8
125.07124	1.2
126.09131	3.2
127.03934	2.1
129.06944	1.4
135.04393	1.4
136.07564	45.8
137.02306	1.7
137.05957	3.3
138.09103	3.3
143.08138	4.9
144.08073	0.9
145.07460	1.0
147.04385	6.1
148.07561	9.2
151.03979	1.3
153.06598	1.0
157.08604	1.2
158.26456	0.9
161.05949	1.7
162.02167	1.2
162.08992	1.3
163.03979	2.1
164.07048	21.8
165.01836	2.2
165.07043	1.2
166.08624	2.1
167.06911	1.0
168.07988	1.0
172.09918	1.3
173.05940	1.5
177.01755	1.2
177.05412	1.2
181.06474	0.9
181.10138	1.3
183.02843	1.9
183.10483	1.5
185.05945	1.3
186.11530	2.7
187.07504	2.6
187.12292	5.4
188.08307	3.7
190.09834	2.2
191.03365	2.3
191.08559	1.5
195.02853	6.9
195.08029	1.7
196.09938	1.1
198.12764	1.6
199.08731	1.8
207.07921	1.1
209.09624	1.2
211.07443	1.1
211.09688	1.2
213.05420	1.3
213.10342	2.2
214.10907	6.3
215.11815	6.7
215.15402	2.7
217.84724	1.1
219.02907	1.6
225.13889	4.0
226.12270	5.6
228.12608	6.6
229.05009	1.0
229.12187	1.4
231.02922	1.7
233.04289	1.2
237.09148	3.5
241.04878	1.7
242.14139	3.1
243.14911	56.6
244.15176	2.3
249.03938	1.0
253.08690	1.6
253.13329	3.8
254.08902	1.2
255.10130	1.9
260.11401	1.7
261.03940	1.6
261.15894	1.4
265.08493	2.2
271.14395	75.0
272.14816	2.2
281.08044	1.4
283.09677	5.4
287.05502	4.5
289.06189	3.5
289.15439	100.0
290.15848	3.7
301.07056	3.6
301.10626	2.6
313.07089	1.4
331.04413	1.1
355.07828	2.1
367.08224	1.4
391.07950	1.7
433.15878	1.7
451.10272	3.8
451.15851	1.8
451.21567	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	451.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
55.01855	0.3
55.05476	0.3
57.03419	0.5
61.02903	0.3
66.04697	0.5
66.84826	0.2
67.05486	0.7
69.03418	0.3
69.07041	0.6
69.92611	0.3
70.06570	0.4
71.04976	0.5
71.19572	0.2
71.60338	0.5
79.05464	0.6
79.16080	0.3
79.63654	0.2
81.03419	0.3
81.07039	0.7
83.04958	0.5
85.02901	1.5
85.06554	0.3
91.05455	1.1
93.07011	0.6
94.04176	1.6
95.04950	0.7
95.08581	0.4
97.02892	1.2
97.06484	0.5
103.03954	0.4
103.07550	0.3
105.03388	0.4
107.04923	0.6
107.08546	0.5
109.02888	0.4
111.04399	0.5
117.06985	0.3
119.04914	1.3
119.73544	0.2
121.02850	0.4
121.06515	0.3
121.58173	0.2
122.03635	5.4
123.04453	0.6
127.03909	0.5
131.04991	0.3
135.04402	1.2
135.77719	0.2
137.05959	100.0
138.06322	1.6
141.07129	0.3
147.04390	6.5
148.95189	0.3
149.05939	0.5
151.03850	0.4
151.07457	0.3
153.01814	1.3
161.05966	0.8
163.02597	0.3
163.03842	0.6
164.07098	0.5
165.05457	1.2
171.02997	0.4
173.06046	0.3
177.05464	1.6
179.07010	6.5
187.07428	0.3
189.05440	0.6
195.06549	1.0
201.05450	1.9
211.13353	0.5
213.05426	1.0
219.02971	0.5
219.06474	1.1
231.06470	1.2
243.06454	0.7
249.07397	0.3
253.08482	0.3
253.54669	0.3
279.08478	0.4
283.09641	1.1
287.05365	0.4
289.06754	0.9
295.09622	0.3
297.07599	0.6
301.10687	0.9
303.08621	0.9
305.05457	0.3
313.10632	3.3
331.11630	2.5
355.11752	2.2
367.11661	2.5
379.11761	3.1
385.12827	0.5
397.12759	0.8
415.13760	0.5
421.05255	0.3
451.10217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
57.03399	0.4
65.03905	0.4
67.05476	1.1
69.03409	0.5
69.07031	1.3
71.10523	0.9
79.05458	1.2
81.03377	1.0
81.07027	1.3
83.08599	0.3
83.92185	0.3
85.02861	0.4
88.29715	0.3
91.05408	1.0
93.07006	1.4
95.04930	1.0
95.08587	1.8
97.02864	0.8
97.06506	2.0
97.10117	0.5
98.21343	0.4
105.03370	0.4
105.07001	1.2
107.04948	3.0
107.08561	1.5
109.06462	0.5
109.10132	0.8
119.08530	1.1
121.06474	0.4
121.10103	1.3
123.04349	0.5
123.11685	0.8
133.10107	0.4
135.04381	1.6
137.05922	0.9
147.04370	0.5
147.11674	0.6
149.05934	0.4
159.11652	0.5
161.05966	0.5
161.13222	0.4
163.03883	4.1
167.07027	1.7
171.04366	0.4
173.13315	0.4
177.05380	0.6
178.06232	10.0
201.05431	0.7
202.02524	0.8
203.03297	0.4
213.05396	0.3
214.02554	0.6
219.02866	0.8
229.04898	4.1
230.02054	2.2
231.02835	0.4
232.03862	0.7
239.06902	0.4
241.05109	0.4
243.02890	0.7
256.03714	0.4
258.01544	2.6
259.02359	3.2
267.06503	0.5
276.02524	2.5
277.04843	0.5
279.06265	0.5
284.03192	0.9
291.06464	0.6
294.05212	1.2
295.05872	0.6
297.07498	0.6
305.04596	0.8
309.03955	1.3
309.07132	0.7
319.05963	1.4
322.04672	6.3
323.05435	1.2
332.03235	0.6
333.03806	1.5
334.04486	0.8
337.03278	0.5
337.07077	1.2
347.05289	1.9
349.07104	0.7
350.04141	5.3
351.04739	0.8
360.02490	0.8
361.03387	4.8
362.03894	0.7
365.06540	6.3
375.04941	3.6
378.03687	1.0
387.04980	0.6
388.01877	0.4
389.02560	0.7
390.03329	1.7
393.00909	0.7
393.06006	11.9
394.06244	0.7
395.11136	0.6
403.04309	2.6
404.05014	0.4
405.06085	2.1
406.03000	2.3
418.06519	0.9
419.07669	1.9
421.05487	51.0
422.05820	2.2
435.07236	1.2
436.07776	7.5
451.10175	100.0
452.10449	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	451.1228
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
55.01867	2.2
57.03416	8.1
69.03386	2.8
69.66237	6.8
69.66664	5.8
80.23448	1.9
81.03392	4.4
85.02898	20.4
95.04946	3.3
97.02865	2.4
109.02877	5.5
121.02845	13.1
123.04382	4.7
125.02369	2.1
130.90712	1.9
133.02884	1.7
135.04410	6.2
137.05917	2.2
140.07120	1.8
141.45827	1.7
145.02808	3.8
147.04393	3.5
149.02377	3.0
153.01764	6.0
163.03885	21.4
165.01802	35.1
167.03242	2.1
177.01758	13.5
183.02846	16.3
187.03897	2.3
189.01825	5.2
191.03387	20.7
195.02878	100.0
203.03378	3.7
205.04913	4.1
207.02985	2.9
215.03349	3.0
216.03958	1.9
219.02867	35.7
231.02840	26.8
233.04402	2.0
243.02893	5.3
248.84087	1.9
249.03932	11.1
261.03925	24.4
279.04962	7.2
289.06964	4.1
297.05972	2.2
301.07043	38.7
313.07031	16.4
331.08051	15.7
355.08099	33.7
367.08096	23.6
379.07916	8.5
385.09265	3.5
397.09271	9.6
415.10321	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	451.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.2
57.03415	7.1
64.46355	2.9
68.99759	4.4
69.88873	21.2
70.06577	3.3
81.03417	6.2
85.02898	20.0
91.05489	3.4
95.04964	6.9
96.48405	3.2
97.02878	10.8
98.20802	4.4
103.03934	5.2
104.07125	3.3
107.04947	100.0
109.02872	3.2
113.27829	3.9
121.02867	21.9
123.04459	8.7
124.96696	3.3
125.02405	3.5
125.97882	3.1
135.04399	11.1
137.02274	4.1
137.05901	3.5
139.03906	10.6
145.02866	6.3
145.17950	3.1
147.04385	3.8
148.30026	3.1
151.03835	6.1
153.01814	9.1
163.03902	10.0
165.01822	37.1
165.07001	3.5
173.02335	11.2
177.01808	19.1
177.05472	4.1
179.03395	4.8
183.02902	19.2
189.01892	4.4
191.03415	15.1
195.02875	65.5
203.03366	4.2
205.04990	3.5
215.03398	5.6
219.02835	20.0
231.02829	21.6
239.07027	14.8
243.02904	5.9
249.03935	11.7
255.06488	3.5
257.07990	10.0
261.03928	13.6
267.06476	5.9
271.06070	5.3
281.07993	7.5
285.07550	23.4
289.06894	7.6
295.06042	6.4
301.07028	40.5
308.86322	3.0
309.07559	11.3
313.07031	24.6
331.08087	21.3
337.06946	4.6
351.08755	7.6
355.08038	24.6
367.08060	22.3
379.08093	7.8
397.09238	7.4
412.91736	3.7
415.10364	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	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	1.8
71.02669	1.1
73.35883	0.5
81.04538	0.6
85.02879	1.1
87.04436	1.1
95.06062	0.6
97.02866	1.6
100.61628	0.5
113.87329	0.6
125.07104	0.9
143.08141	4.2
163.89888	0.5
173.02992	0.6
203.04085	0.5
289.17670	1.0
305.13345	1.0
307.60626	0.6
326.89709	0.6
351.09991	0.6
391.02847	1.4
451.04724	100.0
451.22501	1.8
452.05002	4.0
475.64813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01854	0.5
57.03429	0.7
61.02658	0.4
61.02919	4.8
68.99796	0.6
69.03419	1.9
69.68398	2.5
73.02895	1.0
79.05477	0.5
81.03400	1.0
81.07031	0.4
85.02891	6.7
86.09673	0.4
87.04452	0.4
91.03945	2.2
95.08563	0.6
97.02891	4.1
104.07108	0.4
105.03354	0.5
107.04955	0.8
107.53662	0.3
109.02846	1.0
111.00788	1.0
115.31316	0.4
121.02858	3.6
127.03889	0.7
128.38605	0.3
137.02348	0.9
145.04994	0.5
147.04379	0.9
153.01822	4.7
157.06454	0.5
165.01884	2.1
183.02890	1.1
184.07333	0.6
185.05945	0.5
213.05539	1.8
231.06380	0.7
241.04955	1.1
258.05206	1.0
259.06064	0.4
287.05460	100.0
288.05832	3.8
299.05417	1.6
329.06509	1.3
339.08728	0.4
353.06595	0.9
413.08557	0.4
448.23227	0.4
449.11121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1799
Annotation	2,3-Epoxyjuanislamin
Peak:m/z	Relative Intensity
55.01843	6.5
55.05499	13.8
55.67501	4.6
60.08173	4.9
61.02909	5.0
64.13501	4.2
67.05481	15.6
69.03419	8.9
69.07053	16.7
71.04967	7.5
71.66164	8.4
79.05482	23.0
81.03409	9.0
81.07044	17.5
84.08140	5.3
85.02885	12.6
86.09710	23.4
91.05471	22.7
93.07007	16.2
95.04986	9.2
95.08588	14.0
97.06508	49.9
97.10127	5.9
98.06859	5.6
104.10714	18.0
105.07015	13.8
107.08604	9.9
109.10123	5.2
111.04503	4.5
119.08570	9.6
120.08125	13.2
121.02827	9.3
121.06450	9.2
121.10079	7.8
123.04408	20.8
123.08043	5.1
125.00005	7.8
127.03886	5.6
129.07068	6.6
131.08499	4.9
133.10069	6.4
137.02386	7.7
137.05954	11.9
147.04443	5.9
147.11635	5.1
149.05861	4.6
149.13251	5.6
153.05402	6.0
153.06952	12.5
155.08525	12.2
157.10109	8.2
161.06024	8.0
164.06989	7.8
165.06984	14.7
168.05675	7.5
169.06442	7.5
172.05156	5.9
173.05956	39.5
174.06715	7.2
177.05446	9.5
179.08667	4.9
181.05084	5.1
181.06395	26.0
181.54384	4.4
183.07962	12.0
184.07347	14.6
185.05920	15.5
186.06700	7.0
188.08241	5.2
193.06421	10.3
195.08073	15.5
197.05981	20.9
198.06644	4.7
199.07533	32.7
201.05429	7.7
201.09094	10.5
207.08011	8.3
209.05989	14.5
210.06689	8.5
211.07515	76.5
212.07970	8.6
213.05479	15.8
213.09094	20.5
219.08020	7.4
223.07611	9.8
224.08372	7.5
225.09033	7.6
227.06938	14.3
233.16440	8.6
235.07434	9.0
237.05458	11.8
237.09050	6.4
239.07050	14.9
239.10368	4.5
241.04898	8.7
247.07368	8.2
251.06924	11.6
255.06447	15.4
256.14584	24.9
257.04324	5.7
263.06787	5.4
265.04932	7.1
265.08685	8.6
266.13000	17.0
267.06543	10.4
269.07962	6.2
279.06522	6.1
283.06009	58.7
284.14105	42.5
287.05472	100.0
287.08774	9.4
293.15152	5.1
299.09003	7.0
302.15027	18.1
303.05048	9.9
303.13873	10.4
311.16504	6.0
321.14880	24.5
323.12595	5.9
325.14310	5.9
331.13275	12.8
339.15820	46.5
341.13824	10.4
349.14178	31.3
359.13150	8.3
367.15424	31.2
369.13376	8.7
377.13751	28.9
378.14194	5.8
385.16052	23.3
395.14859	24.6
413.15521	14.5
449.12418	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	449.1073
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.55674	0.3
55.01855	0.5
57.03417	0.8
61.02919	3.6
64.66714	0.3
65.03912	0.3
67.05486	0.5
68.99769	0.5
69.03405	1.3
69.26616	0.3
69.49747	0.3
69.50176	0.3
71.04987	1.9
71.17844	1.0
73.02892	0.9
74.37683	0.3
81.03401	0.6
85.02898	6.7
91.03947	1.7
93.03406	0.7
93.25505	0.4
95.04956	0.4
97.02861	1.5
97.06513	0.6
109.02869	0.9
113.31781	0.3
121.02846	2.2
123.04411	0.5
127.03886	0.6
129.05450	0.5
137.02324	6.5
137.05969	0.9
139.78067	0.3
145.05009	0.4
149.02339	3.0
153.01790	1.0
157.06514	1.0
163.03897	0.6
163.42403	0.3
165.01837	0.7
167.03432	0.8
177.05475	0.5
179.03355	1.0
185.05980	1.4
201.05414	0.5
202.24751	0.3
203.03474	0.3
203.07106	0.4
211.07596	0.6
213.05418	3.2
214.05679	0.3
217.04694	0.4
229.04929	1.0
231.06541	1.4
239.07002	0.9
241.04919	2.5
257.08087	1.7
258.05304	0.4
269.04443	1.5
287.05460	100.0
288.05771	3.7
303.04962	14.4
304.05295	0.6
327.83029	0.4
345.06125	0.4
387.01205	0.4
413.08594	0.4
419.16293	0.3
431.09824	0.4
449.10461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
57.03415	0.5
61.02623	0.4
61.02916	6.4
65.03912	0.3
68.99770	0.9
69.03407	0.9
69.44045	1.1
69.44473	1.0
71.04989	0.3
73.02906	1.5
75.94002	0.3
78.36279	0.2
79.05460	0.5
81.03398	0.4
81.07049	0.4
85.02393	0.3
85.02894	5.4
87.04457	0.3
91.03932	3.2
97.02883	3.0
97.06501	0.3
99.04445	0.3
105.03349	0.6
105.06942	0.2
107.04910	0.7
109.02842	0.5
111.00783	0.9
115.03915	0.3
121.02850	3.2
124.73580	0.2
127.03905	1.6
129.87274	0.2
133.02820	0.7
137.02342	1.5
137.05939	0.4
145.04956	0.5
145.06435	0.2
147.04358	0.7
153.01811	5.4
157.06439	0.7
161.05965	0.4
165.01810	2.4
168.43738	0.2
171.04369	0.5
183.02956	1.2
184.07266	0.2
185.05916	0.6
189.05482	0.3
213.05496	1.8
231.06511	0.9
241.04900	0.9
255.11282	0.3
258.05194	1.5
259.05923	0.6
269.04471	0.3
287.05453	100.0
288.05783	3.3
299.05377	0.7
302.04236	0.4
303.05029	0.3
313.03445	0.3
317.06442	1.6
325.06979	0.3
329.06555	0.3
338.12921	0.2
355.04196	0.3
430.01114	0.2
449.17816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03923	0.2
55.01860	0.2
57.03422	0.3
61.02915	4.1
65.03916	0.3
66.81357	0.1
67.05472	0.2
68.01820	0.1
68.99768	0.3
69.03409	0.7
70.98927	0.3
73.02896	0.8
81.03399	0.4
85.02891	2.8
85.03397	0.2
91.03943	1.9
93.03378	0.5
95.01331	0.1
95.04958	0.2
97.02872	1.9
107.04950	0.2
109.02857	0.4
110.32316	0.1
111.04424	0.2
115.03908	0.1
116.76922	0.1
121.01964	0.1
121.02853	2.6
122.03628	0.2
123.04401	0.4
127.03904	0.4
129.06984	0.2
137.02318	7.8
137.05942	4.0
145.04916	0.2
147.04378	0.2
149.02325	3.0
149.05910	0.6
157.06476	0.7
161.05942	0.3
163.03871	0.6
167.03340	0.4
171.04393	0.3
175.07516	0.3
177.05463	0.9
179.03357	0.2
185.05948	2.6
189.05408	0.2
191.03383	0.1
197.06009	0.2
201.05452	0.2
203.06985	0.6
213.05440	5.0
214.05856	0.2
216.03932	0.1
231.06462	1.4
241.04926	3.2
242.05408	0.2
258.05228	0.6
259.05902	0.3
269.04385	1.1
270.04871	0.2
283.89590	0.1
287.05447	100.0
288.05811	3.2
311.08902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03936	0.4
55.01860	0.4
57.03429	1.1
59.04968	0.2
61.02911	1.1
62.71302	0.2
64.42385	0.1
68.99784	0.3
69.03052	0.3
69.03420	4.0
69.26844	1.9
71.04988	0.4
72.08141	0.3
73.02891	0.7
81.03407	2.1
85.02892	7.8
87.04440	0.7
91.03941	0.3
91.05431	0.2
97.02879	3.1
98.21451	0.4
99.04443	0.4
103.03918	0.3
105.03388	0.2
105.24037	0.2
107.04970	0.2
109.02866	1.1
111.04393	0.2
111.91816	0.2
115.05405	0.2
121.02821	0.7
121.06482	0.2
123.04409	1.0
126.78661	0.2
127.03888	1.8
129.73689	0.2
131.04958	0.2
132.04401	0.3
133.02806	0.2
133.04774	0.2
135.04402	0.3
137.02319	9.0
137.05949	0.7
141.06975	0.4
142.67548	0.1
145.04932	0.4
145.06459	0.2
147.04370	0.9
149.02296	0.9
149.05936	0.3
150.03143	0.2
151.03775	0.2
157.06471	1.2
161.05910	0.4
163.03877	0.6
163.07596	0.2
165.01811	0.4
167.07019	0.4
169.06435	0.2
171.04398	0.3
173.05957	0.2
175.03886	0.6
177.01802	1.4
181.06422	0.2
183.02893	0.2
185.05957	0.7
187.03918	0.5
189.05441	12.8
190.05740	0.3
191.03334	0.2
191.06993	0.5
193.04959	1.0
197.05951	1.9
199.03889	0.5
201.05426	0.6
203.03325	0.2
203.07005	0.7
207.02820	0.4
213.05437	8.8
214.05722	0.2
215.03371	0.7
217.04988	1.4
219.02812	0.2
225.05428	0.5
227.03354	0.3
231.06483	1.8
233.04370	0.3
241.04924	6.8
242.05379	0.2
245.04439	0.3
253.04842	0.3
257.04282	0.3
257.08127	0.3
259.06006	0.8
259.11880	0.6
260.12234	0.7
269.04437	4.3
270.05179	0.4
271.06055	0.3
283.02347	0.2
283.05930	0.3
285.03802	0.4
286.04611	0.2
287.05453	100.0
288.05823	3.1
297.07376	0.2
303.12659	0.4
311.05484	0.4
315.05081	0.7
329.06427	0.5
343.04294	0.3
359.07593	0.2
371.07272	0.2
385.05310	0.6
407.17075	0.2
449.06714	0.4
449.20093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.97668	0.1
53.03936	0.4
55.01849	0.3
57.03413	0.5
61.02919	6.6
68.99772	0.8
69.03421	1.2
69.48640	0.5
69.49071	0.8
71.04955	0.2
73.02526	0.2
73.02905	1.8
73.78858	0.1
73.98021	0.1
76.29333	0.1
79.05468	0.4
81.03398	0.4
81.07038	0.2
83.01326	0.1
85.02394	0.3
85.02895	5.6
91.03944	3.3
95.04956	0.2
97.02882	3.0
99.04438	0.3
103.05413	0.2
105.03373	0.5
105.07008	0.2
107.04905	0.6
109.02877	0.7
111.00789	1.0
111.04375	0.2
115.03847	0.2
115.05450	0.2
121.02859	4.4
127.03915	0.9
133.02820	0.6
135.04407	0.2
137.02312	1.3
141.06966	0.1
145.04913	0.6
145.06477	0.4
147.04417	0.8
151.03810	0.2
153.01811	5.2
153.30444	0.1
157.06450	0.7
158.91716	0.1
161.06009	0.3
165.01810	2.5
171.04395	0.4
175.03935	0.2
183.02895	1.1
185.05960	0.7
189.05450	0.3
191.03331	0.1
203.03220	0.1
203.07051	0.3
207.17894	0.1
211.07503	0.2
213.05421	1.9
217.04968	0.1
229.04887	0.4
231.06525	1.0
239.07018	0.3
241.04941	1.1
243.06441	0.2
257.04288	0.1
257.08063	0.3
258.05234	1.6
259.03448	0.1
259.06039	0.5
263.46967	0.2
269.04416	0.3
283.05984	0.2
286.04596	0.3
287.05460	100.0
288.05792	3.1
299.05499	2.0
300.06107	0.3
303.04877	0.1
311.05237	0.3
313.06894	0.2
325.07016	0.4
329.06528	1.3
338.97183	0.1
339.08566	0.1
353.06509	1.2
365.06384	0.2
383.07391	0.2
395.07559	0.2
413.08679	0.4
431.09445	0.6
449.10574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03920	0.2
55.01855	0.3
55.05498	0.2
57.03436	0.5
61.02917	6.8
68.99771	0.5
69.03072	0.2
69.03427	1.1
69.82973	1.1
73.02912	1.5
73.10395	0.2
75.39624	0.2
77.22149	0.2
78.05996	0.2
79.05478	0.2
81.03388	0.4
85.02397	0.3
85.02897	5.0
91.03944	3.2
95.04977	0.2
97.02870	3.0
99.04430	0.3
105.03351	0.5
107.04916	0.6
109.02865	0.6
111.00762	0.8
111.04433	0.3
112.78886	0.2
115.03917	0.3
121.02846	4.5
122.03201	0.2
127.03889	0.9
133.02838	0.6
137.02322	0.9
145.04938	0.6
145.06439	0.3
147.04350	1.0
153.01811	5.0
157.06456	0.6
161.05994	0.3
165.01822	2.5
171.04353	0.3
175.03900	0.3
175.14783	0.2
183.02885	1.3
185.05972	0.6
203.06958	0.3
213.05421	1.8
231.06450	1.0
232.03471	0.2
241.04970	1.0
243.06410	0.2
258.05173	1.2
259.05893	0.6
269.04218	0.4
270.07840	0.2
283.05734	0.3
286.04825	0.3
287.05447	100.0
288.05777	3.5
299.05573	1.7
307.05969	0.2
311.05417	0.3
325.07104	0.2
329.06519	1.1
353.06390	1.0
377.06372	0.3
383.07648	0.3
395.07425	0.2
413.08609	0.3
431.09482	0.3
449.10553	0.4
449.30975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
52.10823	0.5
53.03937	1.1
55.01870	3.7
57.03413	1.6
60.82539	0.5
61.02905	1.4
65.03925	1.9
65.64364	0.6
67.05487	1.1
68.99773	2.9
69.03416	1.2
70.36604	2.3
73.02914	1.4
77.03920	1.4
79.01898	0.5
79.05452	0.9
81.03402	2.5
85.02894	6.8
89.03897	0.8
91.05463	0.7
92.23983	0.5
93.03389	1.1
95.01331	0.8
95.04958	5.9
97.02871	1.9
98.20801	0.7
99.00777	0.5
103.03939	5.2
103.05471	1.0
105.03368	2.8
107.04903	3.2
109.02881	3.6
111.04410	1.4
115.05424	0.7
119.04910	0.6
121.02854	14.6
123.04412	100.0
124.04783	0.8
127.03954	0.7
128.55710	0.6
131.04918	1.0
133.02832	1.9
135.04416	4.3
137.02321	5.7
137.05922	1.3
139.03883	10.9
141.01833	2.1
145.02812	1.8
147.04341	2.6
149.02342	2.8
151.03894	5.0
153.01840	1.6
153.06950	1.2
159.04402	1.9
161.02322	3.5
161.05983	1.5
163.03871	7.0
165.01814	30.0
167.08504	0.8
171.04445	0.9
171.08032	0.6
173.02332	14.4
173.05934	0.9
175.03909	4.4
177.01813	27.6
177.05379	1.6
178.99767	0.8
179.03375	5.0
181.06398	4.0
183.02872	16.9
186.03157	1.8
187.03865	6.3
189.01788	6.6
189.05522	2.1
191.03369	12.5
191.05017	1.1
193.04976	2.9
193.06427	0.6
195.02885	4.4
195.08073	1.5
197.00854	1.2
197.05949	1.2
199.03879	0.7
199.07578	1.7
201.05460	1.2
203.03371	3.4
205.04906	5.7
205.06502	0.4
207.02847	2.6
209.00887	0.7
209.04285	0.8
209.06062	2.5
213.05478	0.8
215.03348	6.8
217.01326	0.8
217.04840	3.1
219.02869	21.0
221.06071	0.7
223.07487	1.6
225.05437	0.6
226.06279	0.6
227.07018	2.1
229.04988	1.8
230.59282	0.5
231.02863	14.9
231.06439	1.2
233.04350	6.5
235.06012	1.6
237.05699	2.6
239.03366	1.0
241.08504	1.3
242.05859	0.6
243.02789	3.0
243.06549	1.4
245.04471	1.6
249.03876	12.2
251.07211	2.5
255.06497	12.2
255.09128	0.8
257.04477	2.0
258.05212	1.0
259.05942	2.0
261.03931	9.8
265.05063	1.2
265.08698	0.6
267.06546	1.2
269.05011	0.8
269.08017	5.4
271.05945	5.1
279.05008	1.5
279.06546	1.6
281.04343	1.9
281.07492	0.7
283.05972	13.2
283.08844	0.5
285.03934	0.7
287.05499	2.5
289.07040	0.7
295.06000	2.8
297.07629	12.4
298.07755	0.6
299.05420	8.1
305.06665	0.7
307.06070	1.3
308.06903	0.6
309.07419	0.9
311.05484	8.8
311.08835	0.8
315.04901	3.0
317.06516	24.6
318.06879	1.1
321.07468	1.8
323.05496	1.5
325.07010	28.8
326.07526	1.4
329.06512	13.3
337.07184	0.9
339.08682	3.1
341.06522	1.3
349.07120	2.2
353.06458	10.8
355.08292	1.1
367.08066	8.5
371.07568	28.9
372.07825	0.8
377.06671	0.7
383.07574	16.1
384.07477	0.7
385.09225	3.9
395.07574	9.1
401.08850	2.4
403.10220	1.3
413.08600	7.8
431.09656	4.9
449.10770	1.5
470.20200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03923	0.7
55.05502	1.4
57.03426	5.7
61.02903	1.2
65.03922	0.7
67.05485	2.0
68.99769	1.0
69.03415	5.7
69.07047	1.2
70.06583	1.2
71.04977	4.0
71.60394	1.0
73.02902	3.1
75.04466	19.2
79.05470	1.6
81.03397	3.5
81.07039	1.7
83.04963	1.8
85.02895	7.9
86.09686	2.7
89.03893	0.7
91.05470	2.6
93.03380	0.8
93.07041	1.7
95.04934	1.9
95.08571	1.3
97.02865	1.7
97.06526	3.4
105.03365	2.6
105.06988	1.1
107.04974	0.8
107.08553	0.8
109.02853	1.6
109.10112	0.8
111.04410	1.6
117.03337	1.5
119.08561	1.3
120.08086	1.1
121.02831	2.5
121.10111	0.7
123.04404	2.9
124.80203	0.6
127.03869	2.3
129.05463	1.1
131.08534	1.0
133.02824	0.9
133.06483	0.8
137.02330	8.4
137.05920	4.1
145.02861	3.3
145.06517	0.9
145.10078	1.0
146.03186	1.1
147.04361	1.3
149.02324	1.5
149.05972	1.1
151.03836	0.7
153.01790	5.8
153.05495	0.8
161.05948	1.1
163.03825	1.4
165.01770	3.7
167.03268	0.6
173.06000	0.9
175.03870	1.1
175.07491	0.9
177.05473	5.3
178.05801	1.5
179.03398	2.4
183.02837	1.5
191.03281	1.0
200.10472	0.7
201.05423	2.3
203.03358	1.0
203.10768	0.8
213.05470	0.8
215.06982	0.7
217.04944	0.7
225.09021	0.8
228.04138	1.0
229.05002	4.3
241.05063	0.9
245.04346	0.9
247.05959	1.0
257.04395	3.1
274.04630	1.5
285.03894	2.1
287.05447	21.1
287.13821	0.8
288.05753	1.4
299.05389	1.4
302.04132	2.6
303.04950	100.0
304.05304	3.4
311.08847	0.7
315.04871	9.5
316.05804	1.3
317.06488	7.8
327.04980	2.0
329.06570	2.9
341.06470	1.7
343.08365	0.9
345.05933	8.8
359.07593	1.2
367.08145	1.0
369.06039	6.3
375.07196	0.7
391.04138	0.7
395.07584	2.4
413.08551	9.5
431.09714	5.4
431.15338	1.0
449.10745	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	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01859	0.1
56.56670	0.1
56.99328	0.1
57.03428	0.1
60.89463	0.1
61.02903	0.1
65.03943	0.1
67.05477	0.1
68.99443	0.1
68.99778	0.9
69.03417	0.2
70.06577	0.1
71.63589	0.1
72.90336	0.1
79.05484	0.2
81.03395	0.2
84.08133	0.1
85.02911	0.5
86.09702	0.1
91.05470	0.3
93.07000	0.1
94.06507	0.1
95.04945	0.2
97.02873	0.2
97.06483	0.2
103.05463	0.1
105.03372	0.5
107.04955	0.6
109.02864	0.5
111.00787	1.0
111.04401	0.1
117.07024	0.1
118.06474	0.2
120.08082	0.2
121.02849	3.6
121.03797	0.2
123.04400	0.5
124.07610	0.1
127.03880	0.2
129.07007	0.2
133.02856	0.8
135.04405	0.3
137.02332	1.1
137.05980	0.8
140.07114	0.1
145.06464	0.4
146.05917	0.4
147.04366	0.9
148.07573	0.4
149.02431	0.1
149.06006	0.1
153.01808	5.1
154.02176	0.1
157.06450	0.6
161.05980	0.3
163.03964	0.1
164.07036	0.6
165.01808	2.5
166.02275	0.1
171.02962	0.1
171.04408	0.4
173.05949	0.1
175.03851	0.2
177.01807	0.1
177.05446	0.3
183.02899	1.2
185.05965	0.6
189.05453	0.3
197.05965	0.2
203.03363	0.1
203.07060	0.2
213.05426	1.9
217.05035	0.1
229.04887	0.2
231.06509	1.0
241.04955	0.9
242.05734	0.1
242.11697	0.1
243.06342	0.2
243.14886	0.2
245.04462	0.1
257.04581	0.1
258.05200	1.4
259.05939	0.6
269.04431	0.3
269.12701	0.2
270.11194	0.2
286.04752	0.1
287.05453	100.0
288.05780	4.0
297.07382	0.1
299.05432	0.3
305.14948	0.3
325.07007	0.2
329.06534	0.3
449.10629	0.5
449.15842	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05514	0.8
56.05025	1.8
60.05620	0.9
64.27055	0.6
69.03410	1.2
70.06561	1.2
71.17979	0.8
71.18305	0.7
72.70110	0.7
79.05472	1.2
81.03399	0.8
83.04970	0.7
83.06088	1.8
84.04505	0.6
84.08097	0.6
85.02884	2.2
86.09708	0.6
93.19894	0.7
95.04918	0.8
95.34746	0.7
97.02876	2.2
99.05540	0.6
103.35257	0.5
105.03371	2.5
105.05769	1.1
106.06509	0.9
111.04379	0.9
111.05566	6.5
113.07116	0.8
119.04956	1.0
120.04456	14.6
121.02830	0.8
123.04430	1.0
123.05515	1.6
125.05865	0.7
126.06612	12.3
127.03848	0.6
127.07413	1.4
129.99826	0.6
131.04883	0.9
132.04436	25.9
132.06520	1.2
132.08005	0.9
134.06000	11.0
135.04335	0.8
137.02345	2.6
137.04668	2.8
137.05792	0.6
140.07127	0.6
140.08157	0.9
146.02341	1.4
147.04427	1.0
151.06116	9.4
157.06424	0.7
162.06593	1.0
168.08800	2.4
174.06728	1.1
189.05444	2.4
199.71371	0.7
202.09731	15.9
203.07060	2.2
213.05391	1.6
216.11314	2.3
230.09196	9.9
231.12332	1.5
232.10756	6.3
233.08038	1.9
233.13475	0.8
241.04887	1.2
242.09305	4.2
257.10284	6.1
259.11874	83.5
260.12201	2.9
269.04395	1.1
276.14764	0.7
277.12906	2.9
284.11401	3.3
287.02664	0.4
287.05457	22.0
301.14017	9.1
302.12436	36.3
303.12784	1.1
319.15039	2.7
362.18207	1.4
406.17136	14.7
430.18115	1.2
431.16855	0.8
448.19363	100.0
449.19547	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	449.1076
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01857	0.6
55.05510	0.3
56.05031	0.3
57.03426	0.9
59.50850	0.2
61.02893	0.4
65.03924	1.0
67.05510	0.5
68.99772	0.9
69.03418	1.0
69.07043	0.4
70.06593	1.4
71.04957	0.3
71.61967	0.3
72.08147	0.3
73.02887	0.7
79.05475	1.4
81.03386	0.9
81.07008	0.6
83.04958	0.7
84.04488	0.6
84.08123	1.0
85.02888	3.1
86.06046	0.4
86.09690	0.7
87.04450	0.4
91.05464	1.1
94.04173	0.9
94.57741	0.3
95.04945	0.8
95.08587	0.4
97.02884	1.4
97.06517	1.0
99.04442	0.4
103.03909	0.3
103.05399	0.4
104.07092	0.4
105.03373	4.4
105.07045	0.4
107.04951	1.0
109.02844	1.2
109.06511	0.4
111.00764	0.8
111.04414	1.1
115.05410	0.4
117.07037	0.6
118.06556	0.4
119.04906	0.9
120.08083	0.6
121.02841	3.7
121.06488	0.4
122.03637	2.1
123.04425	1.8
124.07511	0.3
125.05966	0.8
127.03897	0.8
128.07082	0.4
129.06952	0.5
131.04900	1.1
131.96185	0.3
133.02815	1.1
134.03590	0.3
134.80431	0.3
135.04388	1.0
136.07559	0.4
137.02339	4.9
137.05957	35.3
138.06287	0.5
139.03879	0.3
141.07016	0.5
145.06442	0.9
146.06000	0.5
147.04385	2.2
148.07520	0.8
149.02327	1.0
149.05954	4.1
150.05455	0.4
151.03841	0.9
153.01797	3.9
153.05487	0.7
153.06789	0.4
155.04863	0.3
157.06427	0.9
159.04373	0.4
161.02319	0.9
161.05928	0.8
163.03868	1.1
164.07065	0.7
165.01807	1.5
165.05489	0.5
167.03346	1.1
167.07019	3.2
167.08389	0.5
171.04337	0.6
173.02307	0.3
173.05951	0.8
175.03961	2.0
177.01814	0.7
177.05437	7.2
179.03365	0.6
181.06441	0.4
183.02885	1.2
185.05951	0.8
187.03935	0.9
189.05423	4.0
191.03410	0.7
195.04436	0.3
195.06433	0.4
197.05995	0.5
199.03839	0.5
199.07553	0.4
201.05479	0.7
203.03336	1.8
203.06972	0.6
207.08000	0.3
211.07520	0.5
213.05411	4.0
215.03438	0.5
217.04944	0.9
223.07666	0.4
224.08347	0.3
225.05484	0.4
227.03421	0.4
229.04889	0.9
231.06499	1.1
233.04330	0.8
239.06828	0.4
241.04898	2.7
243.06520	0.9
245.04430	0.6
251.06969	0.5
253.07054	0.8
255.06274	0.4
257.07880	0.3
258.05243	0.8
259.05927	0.9
263.05347	0.5
269.04446	1.1
269.08035	1.5
270.11166	0.5
271.09021	1.0
283.09393	0.5
287.05460	100.0
288.05731	3.1
299.05341	0.4
299.09061	0.9
301.09897	0.5
311.05933	0.3
311.08978	1.8
317.06686	0.4
325.10382	1.1
329.06360	0.4
329.10059	0.8
341.10052	0.4
353.10193	4.2
355.10745	0.4
365.10168	0.7
367.11273	0.5
383.11087	1.1
395.11066	0.8
431.13611	0.5
449.10526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.3
55.01863	7.8
55.05504	27.1
57.03427	18.1
57.07062	5.3
65.03925	3.4
66.96189	3.1
67.05498	100.0
69.07069	20.9
71.04992	8.6
71.39775	6.9
79.05488	60.6
81.03408	39.9
81.07044	77.7
83.04958	9.9
83.08604	20.0
85.06525	4.7
91.05438	44.8
93.06111	4.3
93.07035	68.0
95.04958	33.5
95.08595	53.2
97.02912	3.7
97.06534	20.1
97.10155	15.0
98.20741	3.7
105.07011	40.9
107.04932	16.5
107.08578	40.2
109.06493	8.5
109.10161	19.9
109.10779	3.4
109.38935	3.3
111.04430	4.1
111.08086	6.3
112.99997	64.1
117.07012	20.0
119.08558	33.7
121.06528	11.4
121.10124	25.0
123.08052	4.6
123.11700	4.2
125.09630	7.8
128.06216	5.5
129.07005	12.6
131.08545	23.6
133.10121	15.3
135.07964	6.5
135.11673	31.3
137.13335	4.1
141.06969	6.9
143.08551	8.3
145.06459	8.0
145.10106	24.9
147.08061	5.9
147.11687	11.5
149.02342	6.7
149.09613	7.8
149.13187	6.0
155.08554	5.0
157.10083	7.2
159.08061	8.4
159.11656	11.3
161.13239	5.9
163.11189	11.7
163.14766	5.3
169.02602	27.5
169.10149	5.2
171.11702	4.6
173.13217	9.5
175.11237	6.4
177.16496	3.7
181.09969	4.0
181.12283	3.4
183.11667	5.3
185.09592	4.2
185.13210	5.0
187.03799	5.2
187.11197	5.3
189.11188	6.0
193.12253	16.1
203.14270	4.5
205.12199	3.4
225.54460	4.2
227.12616	3.8
243.21120	13.5
261.22055	19.3
269.10504	3.8
275.20044	5.8
294.14325	3.7
329.21127	4.1
335.25693	72.7
336.26071	4.4
337.21539	5.8
355.22723	17.8
367.17905	4.6
373.23697	9.0
403.24820	7.6
429.25916	19.9
447.27118	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	0.5
69.46961	3.3
72.08121	0.4
73.04733	0.7
74.04652	0.3
83.04967	0.7
84.08128	0.5
85.99330	0.3
91.05783	3.8
93.05444	0.5
111.04346	0.5
121.02831	0.4
123.04424	0.5
131.00967	0.3
137.71170	0.3
149.02370	0.6
167.05554	1.5
221.04987	0.4
230.93872	0.3
269.07858	0.7
285.08090	0.7
312.78128	0.5
315.10434	6.8
317.08246	0.7
344.99402	0.5
361.02557	1.7
447.14691	100.0
448.14899	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00522	2.3
55.01853	7.8
55.05505	34.0
57.03431	47.2
57.07076	13.4
61.17741	2.2
65.03908	2.7
67.05499	63.6
67.15924	2.4
69.07059	37.9
71.06566	4.3
71.06904	4.8
71.08627	5.4
73.02939	2.2
79.05492	28.5
81.07049	58.2
81.77390	2.2
83.08617	30.0
90.84661	2.3
91.05485	13.8
93.07033	40.2
95.04968	3.5
95.08599	47.0
97.06506	6.2
97.10162	19.4
98.98465	49.1
105.07034	11.7
107.08600	23.3
109.10133	25.0
109.66222	2.3
110.15276	2.3
111.08057	3.3
111.11700	4.2
113.00004	100.0
117.06993	4.3
119.08555	10.0
121.10152	18.8
123.08008	2.4
123.11678	10.2
131.08577	9.2
133.10112	8.9
135.11661	14.5
136.99968	54.3
137.13203	3.4
145.10088	7.4
147.11647	7.0
149.13220	6.3
155.01028	45.6
159.11690	4.9
160.49184	2.3
161.13258	5.6
163.14838	4.9
169.02605	23.1
173.13213	5.4
177.16469	2.3
187.03636	10.7
187.14874	2.6
193.02596	10.1
194.58484	2.3
211.03679	9.7
219.21033	2.8
237.22099	10.3
243.21069	7.2
261.22113	18.3
311.25739	47.7
317.24634	10.6
335.25778	99.1
336.26202	5.7
447.25058	70.4
447.31174	5.2
448.25485	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	447.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91434	0.7
67.05485	0.7
67.44412	0.8
69.80381	5.5
70.06568	1.1
72.08153	1.6
73.04745	1.3
85.02892	1.0
91.05805	7.2
93.05463	1.2
97.02860	1.1
98.21430	0.8
112.07655	0.7
123.04426	2.1
137.05981	1.0
149.02364	2.5
151.30016	0.9
153.05209	0.9
167.03345	0.9
167.05566	2.6
167.88528	0.7
168.05589	1.1
185.04115	1.1
219.02881	1.6
261.03906	1.3
315.10452	6.3
317.08401	3.4
327.08539	0.9
344.99390	0.9
361.02655	4.0
369.05914	1.2
447.14676	100.0
448.15045	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	446.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
56.00489	0.6
57.43272	0.6
67.05489	2.9
69.07047	3.4
69.33139	6.9
72.40783	0.6
81.07028	1.4
91.05472	0.8
93.07024	1.3
95.08607	1.3
109.10149	4.0
119.08544	1.7
121.06486	7.9
122.07256	1.2
127.51633	0.6
135.08038	1.2
136.08809	12.5
137.09581	10.1
149.09569	1.7
152.08228	0.9
161.72198	0.6
164.08301	37.6
164.66710	0.6
165.09081	100.0
166.09424	4.7
177.09105	1.1
189.09087	1.9
190.09885	1.0
203.10611	1.0
205.12212	8.8
206.12666	0.7
298.41388	0.6
361.14648	0.8
373.14529	1.4
387.15854	1.9
388.16458	1.7
389.17529	4.2
397.74194	0.7
402.18100	1.8
403.19290	3.4
404.14490	0.7
404.19748	1.7
416.15820	2.0
417.16791	2.3
418.21606	0.9
419.22360	4.5
428.36426	67.0
429.36749	5.8
430.17392	1.5
431.18112	5.0
441.00629	0.8
446.20599	28.2
447.21487	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	447.128
Annotation	Cytisoside
Peak:m/z	Relative Intensity
67.72964	1.4
69.84237	3.4
69.84650	8.1
74.32336	1.3
76.63812	1.3
78.24267	1.6
80.11920	1.3
107.37492	1.5
109.02884	1.9
126.76668	1.5
134.03618	9.7
148.31963	1.8
149.02304	5.9
150.03047	2.7
151.03856	6.4
153.16948	1.6
161.02298	2.2
163.03883	3.6
167.03386	3.7
173.02255	2.6
178.02609	3.7
179.03363	2.9
181.06367	3.6
191.03419	2.0
202.02748	1.8
209.05893	4.2
210.06767	1.9
216.64323	1.5
221.05870	2.0
223.07491	1.5
226.06084	1.8
227.06978	4.8
237.05446	8.3
238.06120	5.7
239.07007	3.0
249.05457	1.8
251.07117	2.6
255.06465	4.2
256.07211	3.9
265.04907	8.5
266.05673	9.1
267.06540	7.8
269.08109	8.1
270.08737	7.9
277.08670	1.9
279.06442	4.1
279.09390	1.5
282.05161	13.4
283.06012	20.2
284.06604	9.7
291.06421	2.0
294.05154	2.4
295.05936	9.1
296.06665	6.7
297.07541	67.1
298.08282	21.8
305.08069	2.7
307.05902	5.3
309.07407	13.5
311.09052	14.4
312.06119	20.2
322.08340	6.7
325.07111	1.8
327.08585	100.0
328.08813	3.6
336.06049	2.8
337.07031	2.9
337.10602	15.2
351.08575	27.7
357.09735	3.8
365.10153	9.2
369.09625	2.4
381.09647	23.7
393.09674	11.6
411.10693	32.5
412.10999	2.1
429.11765	50.2
430.12119	3.8
447.12762	77.8
448.13339	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	447.128
Annotation	Galangin 3-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
55.01844	1.4
55.05487	2.3
66.12494	1.3
67.05490	3.6
69.03416	2.0
69.07050	4.7
69.26273	7.2
69.26701	7.2
79.05474	4.1
81.03407	2.5
81.07040	3.6
85.02910	3.2
86.09695	8.7
91.05452	1.8
93.06996	2.5
95.04959	1.4
95.08600	2.8
97.02868	1.9
97.06519	23.7
97.10161	1.4
98.21510	2.2
105.07011	2.8
106.82232	1.1
107.08575	2.5
108.08567	1.3
109.02843	1.8
109.10155	1.8
119.08580	1.5
121.06530	1.8
127.03922	2.0
130.06525	2.0
131.08546	1.7
132.04425	1.6
137.02330	16.0
147.04306	1.4
149.05891	1.6
151.03885	1.7
157.07568	1.9
158.05943	1.6
175.04013	1.9
176.04581	1.6
197.05974	1.8
199.07526	1.5
203.89999	1.6
211.07562	2.0
213.09062	2.5
215.07007	2.8
225.05432	9.2
226.06073	1.5
227.07146	3.0
229.08588	5.9
241.08566	7.5
242.05705	1.8
243.06386	1.4
252.04051	1.7
253.04866	2.3
257.08093	2.9
269.11664	2.4
270.05142	2.7
274.73904	1.3
285.07544	100.0
286.07968	2.2
287.09186	1.7
293.11618	2.1
297.07401	3.0
313.14282	3.9
315.08524	1.9
316.16428	2.8
337.14325	3.6
339.12112	4.0
341.13635	2.1
357.16998	1.7
367.15671	2.0
383.14822	30.4
401.15939	2.8
411.14578	3.0
447.11380	2.8
447.17178	2.0
447.27441	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05509	25.8
57.07071	12.4
61.57496	1.3
65.33307	1.4
66.30775	1.4
67.05495	10.2
69.07063	63.6
69.30231	10.9
69.30657	6.9
71.08624	5.4
79.05479	3.1
79.63802	1.4
81.03424	1.6
81.07046	18.3
83.08611	27.3
85.10159	2.3
93.07038	6.3
95.08597	16.4
96.88302	1.6
97.10169	15.4
105.06997	2.8
107.08598	6.9
109.10147	12.1
111.11703	9.1
117.06918	1.6
119.08579	3.9
121.06533	2.3
121.10129	3.8
123.11691	2.8
125.13280	3.0
133.10173	1.5
135.08046	5.8
135.11711	1.7
137.09596	10.2
139.07495	10.4
149.09618	11.3
149.13188	1.7
151.07590	5.4
151.14816	1.7
153.09119	4.8
154.78960	1.5
159.11693	2.2
163.11240	7.9
165.09102	100.0
167.05495	1.5
169.08578	2.6
173.09535	2.0
173.13176	1.5
177.09132	8.4
177.12790	2.2
179.10747	1.8
181.08612	10.4
187.11119	2.7
189.09090	3.4
189.12752	2.1
190.09901	1.9
191.10678	7.4
203.10727	6.2
205.12225	8.6
219.13795	2.1
231.13835	3.9
345.27740	2.0
427.35721	10.8
445.19781	3.0
445.36768	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.2
57.07067	29.8
64.72850	2.0
67.05491	19.6
69.03441	2.3
69.07058	53.6
69.89445	11.9
71.01338	2.8
71.08624	25.7
72.86808	2.1
79.05473	20.1
81.07045	63.3
83.04951	3.5
83.08605	25.8
85.10164	16.5
89.02374	2.7
91.05466	16.0
92.94097	2.0
93.07034	44.1
95.04951	4.8
95.08596	74.3
97.10143	21.4
98.21436	4.1
99.11698	2.1
105.07013	48.0
107.08582	57.5
109.06463	4.0
109.10135	44.4
111.08089	2.6
111.11709	16.6
115.03935	2.4
117.07001	8.1
119.08563	38.5
121.06494	2.2
121.10117	44.3
123.11706	21.6
125.13272	6.0
128.28415	2.1
129.05476	4.4
129.06993	3.1
131.08546	31.5
133.10130	31.4
135.08043	3.1
135.11667	27.4
135.25496	2.3
137.09589	2.5
137.13214	15.2
139.14807	3.9
143.08557	5.7
145.10112	35.2
147.07980	2.7
147.11676	38.6
149.09601	6.5
149.13245	19.6
151.14806	6.8
155.07018	14.1
157.10103	6.2
159.11694	29.7
161.09583	3.2
161.13257	14.6
163.07550	2.8
163.11176	3.6
163.14732	10.7
165.09116	21.1
165.16435	3.4
167.10728	2.5
169.08685	2.6
171.07948	2.8
171.11688	9.5
173.09566	3.2
173.13177	12.2
175.11102	3.1
175.14854	10.7
177.09100	8.5
177.12669	2.8
177.16304	3.1
179.10680	9.3
179.17839	2.1
183.11676	4.2
185.13242	9.6
187.14793	10.6
189.12767	2.5
189.16344	12.6
191.10619	15.7
193.12228	9.2
193.19496	2.5
199.14867	6.5
201.12724	2.9
201.16414	8.3
203.10667	2.2
203.14218	3.0
203.17957	11.6
205.12245	7.0
207.13776	2.5
207.21097	2.8
209.11636	5.2
213.12811	2.8
213.16351	4.5
217.19403	2.7
219.13727	10.0
221.22667	5.3
227.14357	3.3
227.17917	5.8
229.15833	2.8
231.13850	5.1
231.21031	5.5
233.15378	9.0
233.22658	5.9
235.24217	2.8
245.15379	7.6
245.22643	3.9
247.16971	4.2
247.24194	9.5
259.16962	4.2
259.24149	3.0
261.25748	9.4
263.16345	3.7
273.18533	7.7
273.25745	2.6
287.20087	18.1
287.27393	4.9
291.19510	3.5
301.21649	2.9
305.21075	6.2
315.23404	3.2
329.24652	3.9
341.32062	11.9
343.26709	3.6
343.33472	33.9
351.23944	2.0
367.33676	5.6
385.34653	11.4
409.34665	4.7
427.35715	58.6
428.35657	3.4
445.30402	4.7
445.36713	100.0
446.37100	4.9
460.61075	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	445.367
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05503	20.2
57.07067	29.8
64.72850	2.0
67.05491	19.6
69.03441	2.3
69.07058	53.6
69.89445	11.9
71.01338	2.8
71.08624	25.7
72.86808	2.1
79.05473	20.1
81.07045	63.3
83.04951	3.5
83.08605	25.8
85.10164	16.5
89.02374	2.7
91.05466	16.0
92.94097	2.0
93.07034	44.1
95.04951	4.8
95.08596	74.3
97.10143	21.4
98.21436	4.1
99.11698	2.1
105.07013	48.0
107.08582	57.5
109.06463	4.0
109.10135	44.4
111.08089	2.6
111.11709	16.6
115.03935	2.4
117.07001	8.1
119.08563	38.5
121.06494	2.2
121.10117	44.3
123.11706	21.6
125.13272	6.0
128.28415	2.1
129.05476	4.4
129.06993	3.1
131.08546	31.5
133.10130	31.4
135.08043	3.1
135.11667	27.4
135.25496	2.3
137.09589	2.5
137.13214	15.2
139.14807	3.9
143.08557	5.7
145.10112	35.2
147.07980	2.7
147.11676	38.6
149.09601	6.5
149.13245	19.6
151.14806	6.8
155.07018	14.1
157.10103	6.2
159.11694	29.7
161.09583	3.2
161.13257	14.6
163.07550	2.8
163.11176	3.6
163.14732	10.7
165.09116	21.1
165.16435	3.4
167.10728	2.5
169.08685	2.6
171.07948	2.8
171.11688	9.5
173.09566	3.2
173.13177	12.2
175.11102	3.1
175.14854	10.7
177.09100	8.5
177.12669	2.8
177.16304	3.1
179.10680	9.3
179.17839	2.1
183.11676	4.2
185.13242	9.6
187.14793	10.6
189.12767	2.5
189.16344	12.6
191.10619	15.7
193.12228	9.2
193.19496	2.5
199.14867	6.5
201.12724	2.9
201.16414	8.3
203.10667	2.2
203.14218	3.0
203.17957	11.6
205.12245	7.0
207.13776	2.5
207.21097	2.8
209.11636	5.2
213.12811	2.8
213.16351	4.5
217.19403	2.7
219.13727	10.0
221.22667	5.3
227.14357	3.3
227.17917	5.8
229.15833	2.8
231.13850	5.1
231.21031	5.5
233.15378	9.0
233.22658	5.9
235.24217	2.8
245.15379	7.6
245.22643	3.9
247.16971	4.2
247.24194	9.5
259.16962	4.2
259.24149	3.0
261.25748	9.4
263.16345	3.7
273.18533	7.7
273.25745	2.6
287.20087	18.1
287.27393	4.9
291.19510	3.5
301.21649	2.9
305.21075	6.2
315.23404	3.2
329.24652	3.9
341.32062	11.9
343.26709	3.6
343.33472	33.9
351.23944	2.0
367.33676	5.6
385.34653	11.4
409.34665	4.7
427.35715	58.6
428.35657	3.4
445.30402	4.7
445.36713	100.0
446.37100	4.9
460.61075	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	24.0
57.07067	65.5
62.83670	5.8
67.05485	10.1
69.07056	51.3
71.08627	46.5
71.33234	13.1
79.05471	12.3
81.07036	27.3
83.01308	10.7
83.08600	26.6
85.10169	22.8
88.55258	5.9
91.05465	15.9
93.06999	10.3
95.08594	24.8
97.10139	17.0
105.06999	16.3
107.08579	10.9
109.06499	59.3
109.10136	10.0
111.11689	17.5
118.67524	6.7
119.08504	9.9
121.10144	7.2
123.08005	8.0
131.08508	6.5
133.10104	9.1
135.08022	16.9
137.05948	100.0
139.07504	18.5
149.09564	9.9
151.07510	37.8
159.11597	8.9
161.09599	6.5
161.13196	8.3
163.07536	6.7
163.11205	7.6
165.09053	17.7
167.14528	6.5
169.08575	11.0
175.11172	14.3
177.09106	14.4
179.10608	14.1
189.12733	17.9
191.10619	11.7
193.12227	14.0
203.14268	7.1
207.13754	14.8
221.15192	8.7
235.16963	10.8
245.18764	5.9
277.28671	5.6
291.22943	8.1
305.24808	9.0
333.27844	6.5
359.66702	7.3
376.12177	6.0
385.34579	26.5
399.36105	19.3
403.35577	22.3
417.37326	41.1
427.35297	7.9
445.36411	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01865	12.1
55.05494	33.6
57.07064	49.1
65.73872	3.5
67.05499	20.6
67.05802	3.8
69.07055	84.0
70.19691	13.8
71.08626	30.4
79.05481	12.3
81.07046	61.9
83.04987	4.6
83.08605	51.8
84.83590	3.0
85.10172	17.1
91.05437	4.2
93.07036	34.2
93.57416	3.8
95.08591	57.4
97.06531	6.4
97.10152	30.9
105.07053	5.9
107.08599	25.1
109.06480	6.0
109.10159	23.0
111.08060	10.4
111.11697	20.1
119.08604	7.0
121.06479	8.6
121.10144	16.8
123.08057	5.6
123.11684	14.1
125.13250	6.3
135.11685	18.9
137.05966	12.4
137.13249	7.1
139.07524	100.0
149.09598	6.5
149.13216	17.6
151.07544	13.1
157.21455	4.6
161.13237	4.9
163.14839	10.2
165.05508	11.7
165.09126	22.6
175.11163	3.7
189.12656	3.7
193.08603	21.8
217.12192	4.0
231.13779	5.7
233.22513	5.6
255.17670	3.5
289.28903	15.1
307.29840	24.3
417.37442	4.8
427.35693	7.9
441.21564	4.1
445.36703	32.5
459.42245	3.6
461.27115	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55180	1.4
53.03932	4.2
55.01857	4.5
55.05503	17.9
57.03419	4.1
57.07061	3.3
60.08157	1.4
64.35304	1.7
65.03904	3.0
67.05151	2.8
67.05495	46.0
69.03427	1.6
69.07065	17.5
71.04975	4.9
79.05481	40.9
81.03403	2.9
81.07045	42.9
83.04976	4.0
83.08605	9.3
85.06516	2.8
91.05447	57.3
93.06437	2.5
93.07032	40.9
95.04957	10.2
95.08598	29.5
97.06522	6.3
97.10170	2.6
99.04474	2.2
99.08060	3.0
103.05460	2.4
105.00605	1.5
105.03371	3.5
105.04459	2.0
105.07013	56.8
107.04930	4.9
107.08572	21.6
109.06516	4.7
109.10134	10.7
111.08100	3.4
113.00021	3.9
115.05380	3.7
117.06998	26.9
119.08564	32.3
120.09886	1.4
121.06516	7.3
121.10131	13.1
123.08050	3.9
123.11701	2.4
125.09619	1.5
128.06192	6.7
129.06998	21.6
130.07759	1.6
131.08553	44.6
133.06476	4.2
133.10104	19.0
133.16574	1.5
134.45302	1.5
135.08041	6.0
135.11641	7.3
137.05867	1.4
137.09569	2.4
141.06941	9.1
142.07793	2.7
143.08554	18.9
145.06436	2.5
145.10107	27.1
147.08052	5.1
147.11690	5.1
149.09576	3.4
149.13205	2.3
151.11168	2.3
155.08524	9.9
156.09283	1.5
157.10106	13.3
159.08037	2.5
159.11653	9.3
161.09608	3.5
161.13248	5.5
167.05519	3.1
167.08533	4.6
169.02573	3.0
169.10123	8.1
171.08078	2.6
171.11708	9.7
173.09674	2.2
173.13264	6.5
175.11162	3.0
181.10147	5.2
183.11641	7.6
185.09483	2.6
185.13261	6.6
187.11134	2.8
187.14766	2.3
195.11700	4.7
197.13229	6.8
199.11093	2.6
199.14783	4.1
201.12802	2.3
201.16423	2.6
207.11800	1.6
208.12744	1.4
209.13187	4.3
211.14854	4.7
213.12746	2.2
217.15942	2.0
223.14737	3.6
225.16322	2.4
233.15411	3.0
241.15683	1.8
243.17664	1.9
247.16980	3.6
255.17468	2.1
259.16800	2.0
273.18488	2.5
277.21719	1.6
285.18463	1.6
325.25198	3.6
331.66150	1.7
335.23480	7.7
342.99771	1.6
343.26443	7.4
353.24783	22.2
359.02802	5.7
371.25754	21.5
389.26825	22.8
392.79990	1.4
424.64380	1.8
427.28540	5.0
445.29443	100.0
446.29614	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19037	3.8
53.03925	7.3
55.01851	9.2
55.05505	24.5
67.05492	49.8
69.03401	12.1
69.07047	20.7
70.57583	13.1
71.04962	5.8
73.04720	3.8
74.38947	4.0
79.05482	80.7
80.06258	10.4
81.03393	9.6
81.07038	55.4
83.04970	8.1
83.08593	6.3
85.06522	8.7
91.05447	100.0
93.07034	59.9
94.07806	13.0
95.04941	14.0
95.08591	26.7
97.06497	7.2
103.05491	7.7
105.07018	81.0
107.04942	12.2
107.08572	19.9
109.06493	8.3
109.10121	11.2
111.08077	5.0
115.05447	9.3
117.07003	16.3
119.04908	13.6
119.08580	41.8
121.10117	7.5
125.65244	3.6
128.06183	8.5
129.06975	29.6
131.04860	18.3
131.08531	39.3
133.06441	5.5
133.10103	72.4
135.08043	9.1
135.11670	7.8
137.09587	8.3
141.07004	5.9
141.40886	3.5
142.07724	7.9
143.08517	12.7
145.06435	13.0
145.10046	8.9
147.04372	9.4
147.08054	6.6
147.11653	37.9
149.13206	5.9
151.07582	5.5
151.11200	6.3
153.06976	8.3
157.06458	7.2
157.10081	28.4
158.10930	4.1
159.04388	11.7
159.11635	12.9
160.05130	12.8
161.09525	4.1
161.13187	4.3
163.03865	4.5
165.09058	9.5
169.06418	10.2
171.66107	4.2
173.05977	28.7
175.11185	39.2
176.11821	3.8
177.12669	9.9
178.00409	3.9
181.06419	6.5
185.05942	24.9
187.07585	6.8
191.03362	21.0
193.12216	9.5
197.05925	14.3
198.06743	5.5
199.07495	82.5
203.03386	6.1
207.13734	8.3
211.07542	11.1
229.05031	4.1
231.02858	29.9
235.07547	4.9
239.10500	5.5
243.06354	6.2
245.04405	72.3
245.08238	5.2
246.04825	4.9
257.04388	20.1
259.05942	8.3
263.05447	15.2
271.05963	55.4
283.05960	10.7
285.07498	11.2
289.06891	18.8
297.07440	20.1
307.05963	7.3
311.09094	7.7
342.99936	4.4
353.24640	6.6
359.02753	5.3
367.15250	13.0
377.13580	23.7
395.14844	65.3
413.15875	29.0
427.17358	18.6
445.18518	13.3
445.29965	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	445.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01868	9.2
55.05505	16.2
57.03425	10.0
65.03936	4.9
67.05499	44.6
69.03413	9.1
69.07060	14.7
70.70200	2.8
70.92302	3.1
70.92631	7.2
71.05013	4.8
72.53188	2.9
79.05481	77.3
80.06251	14.2
81.03387	4.8
81.06606	5.5
81.07048	54.1
82.07367	4.0
83.04980	8.1
83.08606	7.0
85.06537	7.2
91.05457	100.0
92.06283	4.0
93.07034	65.7
94.07810	13.0
95.04958	10.1
95.08604	28.0
95.20499	2.6
97.06518	7.2
103.05475	5.7
105.07019	77.2
107.04958	7.2
107.08578	30.4
109.06516	4.1
109.10133	10.8
113.00007	46.9
115.05441	11.2
117.07024	16.5
119.04926	13.0
119.08568	40.4
121.10119	15.1
123.08054	3.1
128.06204	7.2
129.05444	4.1
129.06999	24.9
131.04935	8.4
131.08537	41.0
133.06433	3.3
133.10117	65.3
135.04395	3.7
135.08029	7.2
135.11676	11.9
137.09608	9.0
141.06982	4.4
142.07764	4.0
143.08499	6.1
145.02826	3.7
145.06447	9.4
145.10118	10.4
147.04358	13.2
147.08052	6.5
147.11661	41.2
148.12421	3.8
149.09557	3.9
149.13249	9.2
151.11101	3.5
152.57991	2.9
153.06964	5.8
157.06474	6.4
157.10106	26.0
158.10854	5.4
159.04388	14.6
159.11661	9.6
160.05170	8.3
161.13257	15.9
163.03896	8.9
165.09091	10.6
169.02574	7.0
169.06516	11.3
171.08054	4.0
171.11693	5.7
173.05951	25.4
173.13301	6.5
175.03775	6.3
175.11165	34.2
175.14793	7.3
176.11960	4.7
177.12769	6.5
181.06529	5.8
183.07932	4.0
184.05238	3.9
185.05940	18.9
185.13226	4.7
187.03725	7.4
187.07596	4.9
191.03395	22.4
195.08031	3.4
197.06026	10.2
198.06689	5.5
199.03868	3.0
199.07515	74.0
200.07965	3.8
201.05397	6.3
203.03398	4.5
207.13860	4.5
211.07555	12.1
215.17902	3.8
217.05190	3.1
225.05385	5.8
225.09024	8.4
229.05098	4.1
231.02866	30.7
233.04492	3.6
241.19505	21.1
243.06531	4.6
245.04457	68.6
257.04382	16.0
259.06064	7.7
259.20532	19.3
263.05453	12.6
271.03308	5.6
271.06021	67.9
275.05347	5.5
283.06094	11.8
285.07599	9.7
289.06967	16.4
297.07452	19.5
299.09070	3.9
311.09167	5.7
321.42578	3.7
333.24222	46.7
349.14359	6.7
367.15533	4.2
377.13977	20.5
395.14902	46.5
413.16019	19.7
427.17413	13.2
445.18625	10.1
445.29446	7.6
445.35623	3.6
468.92288	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	445.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76854	5.3
53.03938	11.6
55.01867	12.0
55.05505	28.9
57.03433	13.7
58.63761	6.0
67.05502	77.8
69.03425	18.8
69.07058	24.4
71.04992	6.1
71.60342	6.1
73.04732	8.5
78.96640	5.8
79.05482	100.0
80.06273	7.8
81.03405	13.6
81.07043	84.9
83.04988	14.7
83.08621	10.1
85.02873	6.5
85.06525	6.8
88.79492	5.6
91.05408	96.3
92.06241	7.8
93.07032	72.1
95.04971	20.9
95.08611	38.4
97.02907	11.5
97.06527	29.6
97.10141	11.0
97.73265	6.6
99.08067	11.0
103.05439	11.7
105.07012	77.8
107.04964	15.8
107.08607	36.9
109.06515	7.2
109.10143	32.1
111.08060	7.5
115.05472	13.4
117.07020	20.4
119.04926	12.7
119.08564	49.5
121.10120	32.0
123.07993	8.8
123.11763	8.5
123.25278	6.3
127.03905	11.6
128.06198	13.2
129.06993	15.7
131.04926	10.8
131.08559	54.1
133.06454	6.5
133.10120	77.3
135.08038	12.5
135.11696	24.2
137.09625	8.7
141.06976	16.7
145.02864	13.9
145.06499	8.2
145.10135	17.6
147.04411	13.0
147.08026	16.9
147.11667	34.8
149.05922	7.5
149.09590	12.3
149.13199	7.1
157.06496	10.3
157.10138	30.4
157.69939	6.6
159.04404	23.5
159.11639	13.1
160.05237	8.1
161.06116	6.8
161.13301	7.0
163.03781	9.8
165.09099	27.0
166.09314	6.1
167.05573	11.9
169.06445	13.1
171.11708	7.9
173.05956	41.0
175.03889	11.6
175.11177	48.6
177.05473	23.3
177.12750	10.6
181.06499	6.3
185.05927	29.5
191.03395	25.2
193.12265	14.9
197.05917	9.1
199.07510	80.5
203.03409	10.8
209.90199	7.1
211.07463	15.4
213.09251	7.8
217.04953	7.3
229.04938	7.2
231.02841	44.3
241.19463	11.0
243.06483	7.8
245.04439	74.9
257.04489	25.4
259.06171	10.3
263.05438	16.0
271.06000	81.6
279.06342	7.0
282.50909	6.5
283.05948	15.2
285.07501	14.9
289.07092	18.9
297.07584	27.1
311.09235	8.2
333.24170	18.5
349.14511	6.1
351.12271	9.3
359.02835	16.8
367.15472	12.8
369.13211	12.7
377.13852	26.0
395.14868	74.9
413.15964	36.7
427.17798	17.3
445.20200	36.7
445.29581	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	445.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
56.96537	3.5
57.03428	15.0
58.52642	2.8
61.02902	6.1
65.75681	2.8
67.05491	4.2
69.03416	17.2
70.06574	14.1
71.05336	3.3
71.05674	5.8
72.08150	7.7
73.04742	11.2
79.05486	2.6
81.03408	6.3
81.07047	4.0
84.04479	3.3
84.08134	5.7
85.02890	27.0
85.06532	25.6
86.09679	9.4
87.04435	3.6
89.92020	2.9
91.05827	40.9
93.07049	3.6
95.04939	5.6
97.02894	22.5
99.04438	11.4
103.03928	12.5
103.05448	6.4
105.07036	3.9
107.04962	4.9
107.08536	2.7
109.02856	11.6
114.07411	2.6
115.03909	3.5
116.07057	6.8
117.03362	5.0
117.04713	5.1
117.05475	44.7
119.23905	2.6
121.02859	10.3
121.06483	11.6
123.04412	5.8
127.03914	15.7
131.04881	6.8
135.04454	3.6
135.07996	4.7
136.08485	2.9
137.05971	29.6
145.02844	8.4
147.04384	7.4
149.04547	5.0
149.05960	21.2
151.03900	12.4
155.07014	3.7
159.04385	3.6
161.05922	3.9
163.03859	3.4
165.01794	9.8
165.05440	4.7
167.05557	17.8
167.06987	100.0
169.03229	2.8
177.05435	54.0
178.06088	3.6
179.07037	3.9
183.02866	9.4
183.06476	3.3
187.07442	3.0
191.06905	6.0
201.07562	9.0
203.07118	2.8
205.08672	4.2
207.06337	3.9
209.08060	29.4
225.04082	6.8
225.07617	6.9
227.09122	64.4
231.02882	3.7
233.04457	7.5
233.08046	6.1
247.09579	3.2
247.16823	7.6
249.03876	6.1
249.18494	3.0
263.09186	3.4
265.10760	7.8
265.17960	24.7
301.12634	7.1
313.07132	4.3
313.17484	10.1
325.12787	3.9
331.07837	3.4
342.18011	10.1
342.99582	5.4
359.02783	29.6
381.09384	3.6
427.10535	3.7
445.21143	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	445.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01855	4.1
55.05501	3.3
55.87157	3.1
57.03434	19.0
61.02922	5.9
67.05462	2.9
69.03417	10.6
70.06580	14.6
71.26464	6.3
72.08143	5.1
73.04755	8.4
79.05463	3.1
81.03413	6.9
81.07047	4.0
83.04967	2.9
84.08141	2.6
85.02904	18.3
85.06538	22.8
86.06035	2.6
86.09689	9.1
87.04473	5.3
89.03920	3.5
91.05826	30.6
93.07039	3.0
95.04961	5.2
97.02898	13.8
99.04450	9.9
102.29342	2.5
103.03933	9.5
103.05440	7.4
106.98892	2.8
107.04933	6.7
109.02875	15.6
111.04434	2.6
113.06027	2.8
116.07104	4.9
117.03412	3.4
117.05486	46.3
117.07020	2.4
119.04920	3.2
121.02879	10.1
121.06500	10.8
123.04441	3.1
127.03908	10.9
131.04910	8.6
133.02834	3.4
134.03598	2.6
137.05988	18.5
145.02820	8.6
147.04355	3.1
149.04608	3.6
149.05952	16.8
151.03928	6.9
153.05437	4.1
154.30994	2.6
155.06993	2.6
159.04381	3.9
161.09593	3.4
163.03867	3.0
165.01855	4.4
165.05443	6.8
167.05589	12.2
167.07010	100.0
168.07463	2.9
177.05452	53.8
177.09076	2.9
179.07063	3.1
179.10695	3.5
183.02917	7.7
183.06499	4.6
187.07469	3.3
191.06912	4.0
193.04846	2.8
199.03455	2.8
201.07570	10.0
207.06444	4.8
209.08067	31.8
216.07899	3.3
219.08528	3.1
221.15399	2.4
225.04309	5.4
225.07487	5.4
227.02179	2.9
227.09125	57.7
231.02878	4.2
233.04411	3.0
233.08043	4.5
235.13254	2.7
247.16919	5.9
249.03871	3.9
265.07172	2.8
265.10657	9.3
265.17960	14.9
282.30151	2.5
293.08313	3.6
301.12720	9.7
313.17508	9.7
339.08078	2.5
342.18137	4.3
355.10941	3.6
359.02899	16.3
360.02689	4.0
399.09933	4.4
445.15536	5.6
445.20758	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	445.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05497	2.2
57.03426	1.5
59.04725	0.8
59.04996	13.0
60.94746	0.6
61.02921	0.9
67.05485	2.2
67.24896	0.6
69.07060	54.6
69.91110	3.1
70.07374	0.6
79.05489	3.0
81.07040	1.1
85.06042	1.2
85.06535	19.6
87.04459	2.6
87.08087	1.4
91.55054	0.6
97.06520	11.5
97.47152	0.5
97.81778	0.6
101.09629	2.0
112.09441	0.5
115.37791	0.6
129.09102	12.8
133.02823	0.8
137.02357	0.7
144.03119	0.6
148.05153	1.3
149.02306	1.3
150.03122	1.7
153.01805	10.6
160.05173	0.7
163.03911	1.0
164.04637	4.0
165.01730	0.8
165.09084	0.7
170.02101	1.2
173.05850	1.2
174.11462	0.6
183.04366	0.9
187.03922	0.7
187.07532	1.1
191.03358	2.7
201.05426	3.5
203.03442	2.3
204.03975	0.6
205.04967	1.8
211.03868	1.7
211.07539	0.7
213.05521	1.3
215.07030	1.2
216.04153	2.4
217.60782	0.5
227.03465	0.9
228.04192	1.4
229.04950	8.4
231.02910	1.5
231.06589	0.8
241.04959	1.4
242.05840	0.9
243.06497	1.7
244.03665	1.5
255.02827	4.2
256.03574	0.8
257.04416	10.2
259.06085	0.9
269.04510	0.7
271.02805	0.7
271.05927	2.2
283.02469	0.8
284.03162	1.9
285.03900	9.9
285.07446	2.4
287.05374	1.6
299.05432	1.8
300.02579	0.7
302.04129	3.4
313.06989	1.2
315.04965	17.4
316.05667	4.3
317.06525	100.0
318.06955	3.9
341.06494	1.3
369.09613	12.6
370.09561	0.9
395.11325	3.0
396.11066	0.8
413.12393	1.0
427.13763	2.1
445.14725	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	445.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05492	2.5
57.03418	1.9
59.04994	13.7
61.02898	1.0
67.05479	2.5
69.07059	55.3
70.12437	1.4
70.12838	2.9
79.01816	0.6
79.05481	3.7
81.07034	1.0
83.04993	0.8
85.06531	12.0
87.04441	3.1
87.08071	1.4
95.04951	0.8
97.06524	10.7
99.08078	0.8
101.09620	1.9
105.07014	0.8
107.01278	0.8
124.18208	0.7
129.09119	8.6
135.04413	1.2
148.05110	1.2
149.02319	1.8
150.03104	2.3
153.01794	13.9
155.04991	0.9
157.06442	0.8
159.04443	0.7
159.08073	0.9
163.03879	1.4
164.04677	2.9
165.09023	0.9
170.02057	1.1
173.06033	0.9
179.03381	1.1
183.04436	1.0
184.05331	0.8
191.03358	2.3
200.04726	0.8
201.05418	3.7
203.03355	2.6
204.04184	1.0
205.04909	1.9
211.03941	0.8
213.05547	1.9
216.04144	2.4
227.03435	0.9
228.04195	1.8
229.04921	9.5
231.02811	1.5
231.06509	0.9
239.10281	0.6
241.04942	1.9
242.05682	0.8
243.06493	2.1
244.03670	1.7
255.02853	5.1
257.04425	11.7
259.06082	0.9
261.07657	0.8
267.06656	0.9
269.04306	0.8
270.05301	0.7
271.05939	2.6
283.02679	0.7
284.03107	1.5
285.03891	11.3
285.07520	3.3
287.05463	2.6
298.04663	1.0
299.05423	2.0
300.02585	1.8
300.05789	1.2
301.07364	0.9
302.04181	4.1
310.43979	0.7
313.07080	1.6
315.04932	16.6
316.05627	5.5
317.06516	100.0
318.06812	3.7
327.04935	2.8
329.06567	0.8
341.06613	2.1
369.09610	11.3
395.11136	3.1
413.12488	0.9
427.13882	2.3
438.24271	0.7
445.14581	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	445.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	5.0
51.94123	4.8
54.55144	5.2
69.03406	5.6
70.06585	6.0
70.77632	19.2
72.08126	8.6
73.04736	8.8
86.09692	15.3
89.03915	5.5
91.05764	15.9
97.02898	8.8
117.03354	25.7
145.02826	44.5
148.78343	6.3
149.05934	13.0
167.05571	10.7
175.10316	6.9
177.05449	100.0
179.06940	6.7
188.13441	6.1
206.00529	5.5
213.09068	9.5
225.09178	5.8
231.15112	5.7
240.11426	17.3
243.24968	6.3
278.04446	5.8
280.56610	6.2
359.02710	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	444.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.05505	9.2
57.03421	1.9
58.06590	4.3
59.04976	1.8
65.03921	0.9
67.05492	0.9
69.03408	6.3
69.84480	6.1
70.06576	3.5
71.04987	1.6
72.08140	2.0
73.02888	2.5
73.04739	2.9
80.68114	1.0
81.03403	4.9
83.04959	5.1
84.04491	1.6
84.08130	55.9
85.02895	18.1
86.09681	2.0
88.03980	2.6
91.05347	1.1
91.05795	13.0
95.04966	1.3
97.02886	2.5
99.04461	2.1
100.11217	2.1
101.06004	25.2
103.05451	2.9
107.04935	1.4
109.02190	1.1
109.02864	2.6
116.07091	1.4
121.02871	1.7
123.04406	1.5
127.03893	3.4
128.10690	13.9
131.04912	13.2
131.05870	1.1
135.04317	1.5
136.07573	1.2
137.02315	10.7
137.05991	1.0
137.11743	0.9
138.05528	1.0
139.03917	1.7
144.10191	2.3
145.02800	1.3
145.04996	1.2
146.11742	9.3
151.03857	1.4
160.74199	1.0
167.05556	6.0
167.06981	1.6
177.05481	2.1
179.03424	1.3
181.04889	0.9
188.12868	1.0
209.17374	0.8
225.04108	1.4
227.02295	1.0
227.09053	1.1
272.14951	2.7
290.15958	14.4
306.13422	1.4
342.99741	1.3
359.02762	8.6
398.09641	1.2
399.49857	1.0
426.17542	14.7
444.18628	100.0
445.18860	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	443.3877
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.79382	2.6
55.05503	9.5
67.05488	26.2
69.07052	35.1
70.18883	11.5
72.15094	3.4
76.68168	3.5
79.05481	9.8
81.07043	61.6
83.08604	15.1
91.05461	12.9
93.07036	44.3
95.08591	100.0
97.10144	11.5
98.21389	4.3
105.06992	34.9
107.07848	4.3
107.08576	72.6
109.10144	72.5
111.08038	5.0
111.11708	11.3
117.07025	3.3
119.08557	70.6
121.10126	50.5
123.08099	4.0
123.11703	37.4
133.10114	55.6
135.11687	60.9
137.13264	16.8
145.10071	12.2
147.11661	36.6
149.13242	21.8
151.11198	4.7
159.11690	11.8
161.13213	28.9
163.14812	21.1
173.13194	8.3
175.14760	17.6
177.16368	16.9
179.14357	4.4
187.14787	6.1
189.16360	50.0
191.17929	27.6
201.16328	10.2
203.17918	32.6
205.19525	17.3
207.17413	47.3
215.17915	12.8
217.19493	35.8
219.20941	3.9
221.18993	27.7
229.19598	6.2
231.21094	14.6
243.21022	7.5
245.22681	24.2
247.20360	5.0
257.22501	5.3
271.24152	16.0
285.25708	6.4
406.04953	4.0
407.36731	39.8
425.37708	69.3
443.33374	7.6
443.38766	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	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03944	3.9
54.05471	2.3
55.05503	8.8
55.76966	2.3
57.07065	6.2
63.69034	2.3
67.05499	26.2
69.07053	28.5
70.83486	5.9
70.83830	2.8
71.08604	2.8
73.02921	18.3
79.05482	10.4
81.07050	56.8
83.04929	3.7
83.08612	11.4
85.06527	2.6
87.04441	2.9
91.05470	9.0
93.07039	30.4
95.08596	100.0
97.06506	2.9
97.10165	6.6
98.37686	2.9
99.31962	2.4
105.07017	21.4
106.71249	2.5
107.08582	52.3
109.10143	77.0
109.88602	2.3
111.11700	13.6
119.08575	31.4
121.10122	41.7
123.08103	3.8
123.11691	37.2
123.75291	2.5
125.09627	5.0
127.04379	2.6
131.08496	3.7
133.10112	28.8
135.11665	44.9
137.13242	21.3
145.10114	8.4
147.11688	20.5
149.13225	22.5
151.11133	5.5
151.14754	4.6
153.12730	4.8
157.10149	2.3
157.18370	2.4
159.11693	10.3
161.13213	18.6
163.14767	15.7
165.09064	4.8
173.13258	6.5
175.14783	12.1
177.16389	11.0
179.14276	3.5
186.55421	3.0
187.14795	3.2
189.16370	30.8
191.17953	15.7
201.16386	7.1
203.17886	18.6
205.19461	26.4
207.17418	28.0
215.17976	9.8
217.19476	20.1
219.17596	3.5
219.20947	3.5
221.18906	18.4
229.19478	2.9
231.21066	14.3
245.22562	13.6
247.20657	4.1
257.22626	3.1
271.24240	9.8
297.25928	2.8
330.17703	2.4
407.36685	23.1
425.37769	35.4
426.38333	2.6
437.22290	2.7
443.38858	89.0
444.39105	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	443.3514
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
53.02901	3.2
53.03921	3.2
55.01851	8.0
55.05507	45.0
57.07069	32.2
57.15549	2.5
67.05198	3.1
67.05499	36.5
69.03415	3.7
69.07060	92.2
69.62372	20.1
71.08618	24.0
79.05479	17.9
81.07050	100.0
83.04955	4.6
83.08611	60.2
84.81327	2.6
85.10173	12.7
91.05458	16.0
93.07038	33.5
95.04961	5.6
95.08597	89.6
97.06514	7.4
97.10156	33.5
102.46091	2.5
105.07018	21.8
107.08599	26.5
109.06520	25.0
109.10144	54.6
111.08080	7.7
111.11700	20.1
111.89204	2.8
119.08557	18.9
121.06446	6.2
121.10109	20.7
123.08053	12.8
123.11694	27.6
124.05165	4.7
125.05975	14.0
125.13255	7.3
133.06448	5.6
133.10110	18.0
135.08008	9.6
135.11659	12.9
137.05966	46.5
137.09575	5.0
137.13248	15.0
139.07510	58.1
139.14709	2.9
145.10124	6.5
147.11673	10.9
149.09596	6.8
149.13235	8.7
151.07516	19.5
151.14803	3.4
157.10106	3.7
159.11688	7.9
161.05908	5.0
161.09592	4.8
161.13231	11.8
163.11172	4.1
163.14810	5.9
165.05467	13.2
165.09079	23.5
165.16370	3.3
167.06996	6.5
167.14153	2.9
171.11734	4.9
175.11148	3.6
175.14842	6.0
177.09062	8.1
179.07014	51.2
179.10638	4.8
181.08606	2.7
185.13283	2.9
191.17932	3.9
193.08537	15.6
193.15855	2.6
201.12692	4.4
203.10623	4.9
203.14290	3.3
205.12277	3.4
217.12279	4.9
217.15724	3.2
219.13799	4.0
221.11591	4.6
229.12273	5.7
235.13316	4.5
247.13211	2.9
261.14896	3.2
287.27261	13.8
305.28326	11.6
361.27319	4.4
383.32938	3.6
397.34750	4.4
401.34225	3.9
415.35400	13.1
425.33997	14.8
443.35059	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	48.1
57.07065	41.0
67.05491	19.2
69.06699	7.0
69.07058	100.0
71.08624	19.1
79.05471	14.3
81.07037	48.5
83.01319	7.2
83.04965	4.7
83.08614	57.3
85.10156	6.0
91.05470	14.9
93.07020	16.2
95.08593	54.6
97.10164	35.0
105.07008	17.1
107.08576	17.8
109.06505	29.0
109.10130	37.0
111.11695	19.0
117.61748	4.8
119.08558	20.0
121.06450	5.1
121.10120	12.9
123.08064	8.1
123.11690	16.4
125.05920	3.7
125.13260	7.0
131.08542	11.0
133.06586	3.9
133.10120	9.4
135.08006	16.0
137.05968	48.4
137.09579	8.9
137.13268	6.0
139.07571	19.9
142.07748	5.3
143.08505	5.4
145.10135	10.1
147.11661	7.4
149.09576	10.1
151.07558	22.3
157.10065	8.5
159.11652	11.3
161.09561	9.4
163.07510	7.8
163.11177	5.8
165.09102	28.5
167.07008	11.3
169.08655	3.9
169.10115	4.1
171.11679	4.7
173.09616	9.9
175.11101	7.8
177.09047	11.4
177.12692	4.7
179.10654	9.9
183.11653	5.8
185.13213	5.5
187.11124	8.8
191.10626	9.4
193.12218	11.8
199.14789	6.1
201.12614	8.7
205.12151	11.5
205.15919	3.7
207.10144	4.1
207.13683	7.1
208.49287	4.1
219.13759	9.7
233.15494	4.9
236.74208	4.2
263.20041	5.3
263.27164	6.5
282.45758	5.2
319.26321	4.9
383.33011	11.2
397.34497	15.2
397.39304	4.6
401.34055	10.2
415.35626	12.1
425.34158	22.7
443.28708	5.2
443.34039	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20955	0.6
51.02376	0.8
52.45451	0.6
53.03938	3.2
55.01870	4.0
55.05245	1.0
55.05504	16.5
55.90850	0.6
56.40630	0.6
57.03423	4.8
57.07065	1.0
59.04990	1.1
65.03922	2.1
67.05497	34.7
67.42377	0.7
68.05843	1.0
69.03419	1.4
69.06699	1.2
69.07060	16.6
71.04972	2.9
71.58598	1.2
77.03918	0.8
79.05484	33.5
79.85097	0.6
81.03417	1.5
81.07048	34.4
83.04970	3.2
83.08611	9.3
84.08170	1.0
85.06522	3.4
91.05470	42.2
92.05762	1.3
93.06441	1.4
93.07034	27.5
95.04961	7.0
95.08592	23.1
97.06523	5.7
97.10139	3.2
99.08070	1.6
103.05452	2.5
105.03390	0.6
105.04508	0.7
105.07019	30.1
106.07359	1.1
107.04915	4.8
107.08582	13.3
109.06492	5.0
109.10139	9.0
111.08057	3.1
115.05440	6.4
116.06228	1.8
116.10712	0.9
117.07004	24.5
119.04915	1.6
119.07749	1.3
119.08568	18.6
121.06489	5.8
121.10126	7.1
123.08061	4.2
123.11717	2.1
125.09611	2.2
127.07529	0.8
128.06210	10.8
129.06992	37.5
130.07788	1.9
131.04939	1.8
131.08551	33.4
132.05814	0.6
133.06493	4.6
133.10114	10.5
135.08058	5.0
135.11656	3.8
137.09621	5.5
141.06973	14.3
142.07773	5.5
143.08549	29.0
144.05672	1.0
144.09380	1.6
145.06470	6.9
145.10101	16.8
146.10574	0.7
147.08020	5.4
147.11682	4.7
149.06010	0.7
149.09578	4.5
149.13232	1.6
151.07558	1.4
153.01913	0.8
153.06982	3.6
154.07733	2.4
155.05962	1.2
155.08533	23.0
156.09222	1.2
157.06476	2.4
157.10098	15.4
159.08067	4.6
159.11682	7.4
161.05968	0.7
161.09579	3.0
161.13226	1.6
163.07495	0.8
163.11171	2.1
165.07025	3.8
165.09103	22.6
166.07764	2.5
166.09273	1.0
167.07172	1.4
167.08527	10.6
168.09273	1.2
169.10103	16.6
170.10638	0.9
171.08020	3.9
171.11659	9.1
173.09628	2.8
173.13251	2.8
175.11186	2.7
175.14903	1.1
177.09047	1.1
177.12781	1.2
178.06198	1.0
178.07735	1.4
179.08524	4.9
180.09317	2.3
181.10078	9.8
182.10789	1.2
183.08096	1.4
183.11684	10.3
184.12238	0.8
185.09630	3.3
185.13261	6.3
185.14861	1.0
187.11201	2.8
187.14857	2.0
189.09094	0.8
189.12718	1.3
191.08559	1.1
191.10527	1.1
192.09392	0.9
193.10121	5.3
195.11699	9.9
197.09628	1.7
197.13287	7.1
199.11180	2.7
199.14828	3.7
201.12752	2.4
201.16299	0.8
203.10704	1.0
203.14326	1.0
205.10207	1.5
205.12210	1.8
207.11688	4.8
208.86195	0.7
209.13258	8.1
211.11198	2.9
211.14758	4.2
213.12772	4.5
213.16313	2.2
215.14297	2.2
217.10269	0.8
217.15849	1.1
219.11693	0.8
219.13702	0.9
221.13278	5.4
223.14841	5.9
225.12787	3.3
225.16347	1.9
227.14247	3.2
229.12238	0.9
229.15744	1.1
231.13853	1.0
231.17677	0.8
233.13191	1.5
233.15355	1.3
235.14801	5.6
236.15407	0.7
237.00308	0.8
237.12614	0.9
237.16417	2.3
239.14304	4.6
241.15836	2.4
243.13757	1.0
245.15337	1.5
247.14812	1.0
249.16447	1.7
251.14362	1.4
253.15785	5.0
255.17377	1.4
257.15375	2.8
259.16943	1.8
263.17368	0.7
267.17523	1.8
269.15359	0.9
271.16846	4.0
285.18503	1.4
287.16177	0.9
297.18567	0.8
305.22543	1.6
309.22128	0.8
315.04901	2.1
315.20923	1.7
323.20215	1.0
323.23703	5.0
329.24979	0.8
331.19052	1.0
333.22076	10.4
334.22238	0.8
341.24698	5.5
342.24939	0.9
345.09695	0.8
345.20676	1.6
351.23151	31.7
352.23474	1.9
369.24210	31.4
370.24600	2.2
387.25269	14.0
389.24637	1.2
407.25653	0.9
413.11475	1.0
415.28253	0.9
425.26901	7.4
443.16736	3.0
443.27893	100.0
444.28186	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	443.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05494	4.8
57.03436	4.7
65.03931	2.9
67.05491	9.1
68.99793	3.5
69.03421	13.3
69.07053	5.4
70.06586	29.3
70.95858	3.8
71.04990	6.5
71.58411	2.8
72.08147	10.8
73.02931	3.0
79.05490	8.2
81.03404	6.4
81.07049	8.6
83.04975	7.0
84.04504	5.7
84.08130	9.9
85.02870	17.6
86.09698	11.6
91.05473	9.3
93.07037	8.1
95.04942	10.4
95.08607	3.8
97.02892	10.8
97.06493	5.4
105.07016	9.0
107.04896	6.2
107.08611	5.7
109.06474	6.5
109.10123	5.0
111.04439	3.1
116.07092	6.3
117.03372	3.5
117.07023	3.8
118.88199	2.9
119.04885	3.8
119.08553	11.9
120.08084	3.0
121.10126	5.7
123.04404	4.0
126.05598	3.2
127.03889	5.9
131.08525	4.4
133.10133	3.3
135.04440	3.7
136.07538	2.8
137.06012	5.2
137.09578	7.4
145.02820	7.3
145.10095	6.2
147.04405	5.4
149.05986	3.6
153.10359	3.2
157.06485	3.8
161.05991	8.4
161.09636	4.9
163.03949	3.8
165.05515	6.7
165.06877	4.7
166.02652	3.3
167.07034	9.0
177.05493	12.1
177.06918	3.1
178.07877	2.9
179.40807	3.1
181.04922	46.9
181.06403	4.8
189.07082	7.7
189.09036	3.1
190.07706	5.2
191.03442	8.6
191.08479	4.7
193.06549	4.3
195.02907	8.8
195.08049	5.2
197.05920	3.3
201.01819	17.6
201.09016	3.2
201.12503	5.3
204.05783	3.3
205.06503	10.8
205.12065	3.9
206.07224	3.7
207.06476	17.5
209.04422	4.0
210.06792	4.4
211.07582	6.6
218.07262	7.2
219.08081	27.8
220.05225	4.2
221.05992	12.6
222.06779	7.9
225.05530	4.7
229.06317	3.1
233.04164	4.4
233.06157	5.3
234.06677	16.7
235.07520	17.6
236.08394	4.3
237.05559	14.0
238.06297	8.2
239.07103	7.1
243.03093	3.4
245.05934	3.6
246.06737	4.0
247.07523	38.6
248.04831	8.3
248.08301	5.7
249.05444	19.2
250.06216	27.0
251.06958	12.2
252.04134	3.7
255.06433	4.1
261.03934	8.2
262.06210	20.4
263.06967	31.2
264.07642	17.3
265.05032	19.6
265.08511	22.2
266.05795	18.7
267.06500	15.7
267.09244	3.7
274.06107	5.3
275.07086	6.2
276.04233	7.2
277.04898	8.5
277.08240	3.1
278.05728	34.6
279.06467	32.8
280.07083	9.2
281.04431	12.0
281.08078	14.2
282.05029	5.0
283.06039	4.0
284.06836	4.0
289.04877	3.5
290.05765	11.6
291.06464	19.5
292.07202	17.6
293.04453	8.7
293.07974	65.9
294.05240	21.3
294.08606	7.6
295.05966	26.6
296.06738	26.8
297.07446	6.8
299.09042	9.4
305.04416	3.3
305.08118	6.9
306.05319	7.1
307.06317	13.8
307.09372	4.2
308.06723	20.2
309.07498	28.8
310.08325	35.2
311.05399	12.7
311.09125	15.6
312.06375	6.6
318.05212	16.0
319.06015	8.7
320.06781	14.0
321.03900	12.5
321.07584	19.6
322.04791	3.8
322.08173	4.7
323.05447	20.9
323.09039	6.3
324.06238	5.7
325.06982	13.2
325.10733	20.3
325.14105	3.7
326.04132	3.3
326.07779	12.1
327.08606	71.8
328.08957	4.2
333.07687	6.2
335.05533	6.4
335.09137	4.8
336.06247	23.1
337.06934	26.1
338.07849	26.1
339.05048	3.9
339.08719	11.7
340.05737	5.5
341.10214	11.5
347.05591	4.4
348.06296	3.9
351.04764	5.0
351.08600	38.0
353.10156	100.0
354.10944	3.9
355.08063	44.5
356.08585	4.3
361.06885	5.1
363.08435	4.1
364.05698	46.9
365.06274	10.9
366.07092	3.9
368.05093	6.6
369.09711	46.0
371.11029	15.4
379.08084	67.1
380.08502	4.6
381.09839	5.5
382.07159	6.2
383.08017	3.4
397.09140	90.3
407.07324	6.7
411.14130	4.2
415.10245	5.8
425.08771	17.2
443.14093	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	443.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.4
67.05502	2.8
70.06580	6.6
70.91122	9.5
85.02875	5.7
86.09694	5.0
95.04903	3.0
97.02878	6.1
139.03813	3.3
139.38193	3.1
142.19357	3.3
145.02809	6.2
147.04384	4.2
177.05458	11.0
177.73822	2.9
181.04929	11.8
189.06931	7.2
192.04099	4.4
193.04985	3.8
195.02872	17.2
207.06470	14.6
209.04373	3.9
219.08054	11.1
222.06773	3.3
234.06708	10.3
235.07491	7.1
236.08270	3.3
237.05379	10.5
246.06496	4.1
247.07504	21.5
249.05534	6.6
250.06252	11.8
262.06329	19.0
263.06927	19.6
264.07715	9.7
265.04938	13.9
265.08441	7.9
266.05658	5.0
267.06458	4.7
274.06155	3.7
275.07001	5.3
277.04855	5.3
278.05753	20.4
279.06470	21.5
280.07236	6.4
282.05042	4.0
290.05734	13.4
291.06403	11.5
292.07242	16.4
293.04645	6.3
293.07968	21.5
294.05222	6.8
295.06076	12.2
296.06836	6.8
299.08951	3.6
303.06427	6.4
305.08044	3.6
306.05203	7.7
307.05951	9.2
308.06659	18.6
309.07486	7.1
310.08466	11.0
314.07880	6.1
318.05228	7.0
319.05835	7.1
320.06760	14.0
321.03909	19.3
321.07544	14.2
323.05487	12.7
323.08929	5.6
325.07037	7.2
325.10400	4.1
327.08463	10.0
334.04474	3.5
335.09000	7.6
336.06216	21.2
337.06909	11.1
338.07806	18.7
339.08508	5.0
347.05283	4.3
348.05914	3.7
349.03247	5.1
349.07184	6.9
350.07611	3.7
351.08588	22.1
353.10098	47.1
355.08148	8.4
363.08701	17.0
364.05710	100.0
365.06186	9.3
366.07211	4.6
368.05121	8.6
369.09631	8.0
371.11209	4.5
379.08047	66.8
381.09579	12.0
383.07455	4.1
397.09097	66.4
398.09686	5.6
407.07718	11.9
425.08603	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	443.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.5
55.05501	6.0
57.03429	4.9
57.07045	2.8
67.05481	10.1
69.03425	8.5
69.07040	5.3
70.06569	3.9
71.04978	3.6
71.60442	5.6
79.05470	14.0
81.03417	6.9
81.07036	9.5
83.04990	5.3
84.08102	4.4
85.02882	10.6
91.05456	16.1
93.07032	14.8
95.04948	7.9
95.08572	9.3
97.02872	13.8
97.06520	24.2
105.07000	5.1
107.04924	5.5
107.08534	6.9
107.66029	2.8
109.10156	5.5
114.27269	2.9
119.04912	5.1
119.08573	8.7
121.06554	4.1
121.10132	8.4
123.04425	7.6
131.08525	3.8
135.11761	3.0
137.09593	3.5
145.02817	4.4
147.04385	9.2
149.09531	4.5
153.01735	3.5
153.07010	3.6
163.03963	4.1
165.05470	7.5
165.06947	4.6
167.07037	4.9
175.03886	5.2
176.06308	3.1
177.05466	4.3
181.04951	54.2
181.06436	4.2
189.06987	8.9
191.03378	10.2
191.08572	5.2
193.05002	4.5
193.06622	4.2
195.02846	13.4
195.08083	7.4
201.01820	13.9
204.05682	5.4
205.06445	10.3
207.06514	27.1
209.04311	5.4
211.07608	7.2
215.10532	3.2
217.06596	3.8
218.07243	7.0
219.08054	32.3
220.05009	6.0
221.05986	16.1
222.06609	6.0
223.07565	4.7
223.61885	3.1
224.07976	3.4
233.04077	4.6
233.06140	6.9
234.06786	17.5
235.07434	17.8
236.04469	3.6
237.05444	12.8
237.08968	6.8
238.06206	7.4
239.07008	11.2
245.06081	4.5
246.06731	4.6
247.07495	42.6
248.04657	7.9
248.08138	3.5
249.05368	20.6
250.06175	27.7
251.06999	11.7
252.04309	3.6
252.07680	4.1
261.03870	10.5
262.06329	22.8
263.06952	32.2
264.07819	12.8
265.04926	19.5
265.08493	22.1
266.05661	17.6
267.06540	17.3
271.05862	4.0
275.06982	5.2
276.04077	3.7
277.04950	10.3
278.05670	35.0
279.06482	30.1
280.07278	9.2
281.04465	12.7
281.08044	11.6
282.05115	8.4
283.05942	4.7
289.04800	4.9
290.05646	19.5
291.06448	19.0
292.07150	16.7
293.04395	14.4
293.08008	67.8
294.05206	14.8
294.08359	5.8
295.05948	30.2
296.03683	5.0
296.06720	28.6
297.07294	8.2
299.09109	11.1
305.04282	5.7
305.07709	3.8
306.05124	6.9
307.05896	18.7
307.09262	4.3
308.06763	24.1
309.07382	27.5
310.08206	36.3
311.05450	9.1
311.09091	19.8
312.06265	7.2
314.07773	4.0
318.05252	6.3
319.06046	16.6
320.06744	12.3
321.03882	7.9
321.07544	16.4
322.04822	4.7
322.08231	6.5
323.05386	20.3
323.08853	7.6
324.06088	4.6
325.07007	12.3
325.10666	28.2
326.07727	13.4
327.08578	85.1
333.07617	4.4
335.05334	5.8
336.06128	26.4
337.07007	24.0
338.07706	21.8
339.04843	4.3
339.08618	11.3
341.10208	7.4
345.05887	5.2
351.04691	4.7
351.08575	46.7
352.09125	5.3
353.10159	100.0
354.07074	6.1
354.10846	4.0
355.08099	48.1
363.08618	4.1
364.05658	40.1
365.06268	8.8
365.10416	4.4
368.05182	6.1
369.09604	46.1
371.06750	3.3
371.11078	17.1
379.08063	60.6
380.08292	3.6
381.09756	7.8
397.09012	99.4
397.13678	5.2
398.09332	6.3
407.07498	8.2
411.11081	3.6
415.09918	6.6
425.08594	27.1
443.07983	7.2
443.22592	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	442.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79414	0.9
53.03922	0.9
57.03428	3.9
57.07067	5.0
59.04994	0.9
60.04522	0.7
61.02913	2.6
67.05489	5.1
68.67747	0.8
69.03425	11.8
70.06573	3.6
71.04977	3.0
71.30868	2.1
72.08153	1.0
73.02897	1.4
77.97586	0.9
81.03397	1.9
85.02894	33.9
85.06528	3.1
87.04474	5.6
91.03920	1.0
95.04964	12.6
97.02886	13.6
98.09673	3.1
109.02859	2.3
113.05993	24.1
113.06740	1.7
115.03914	7.9
116.07059	4.5
127.03899	6.9
130.27901	0.7
131.07022	100.0
132.07370	1.1
133.04948	6.1
144.06570	0.8
145.04939	15.5
150.07608	1.6
163.02086	1.0
163.06012	4.5
169.08511	0.9
202.20992	0.9
222.45424	0.7
244.13971	1.0
253.13371	2.3
293.12277	8.9
295.85507	0.9
299.13953	3.2
344.07294	0.9
442.17279	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	441.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01842	1.9
55.05497	14.1
57.07060	6.0
67.05495	30.6
67.68587	1.6
68.04841	1.4
69.03393	1.7
69.07058	25.7
69.91824	9.9
71.04998	1.8
71.08635	2.0
73.43353	2.0
79.05481	22.6
81.07043	72.7
82.19434	2.1
83.04982	2.7
83.08604	15.3
85.02899	1.7
85.06544	2.5
91.05453	15.0
92.05775	2.0
93.07025	34.7
95.04928	4.1
95.08589	100.0
97.06524	11.0
97.10148	7.4
105.07011	38.8
107.04906	2.4
107.08575	58.1
109.06507	3.7
109.10139	58.0
111.08048	8.2
111.11678	2.8
117.06993	4.8
119.08565	49.8
121.06470	2.8
121.10120	51.4
123.08047	3.4
123.11688	34.5
125.09631	3.4
128.06244	2.4
129.06984	5.0
131.04919	2.2
131.08545	17.6
133.10106	26.7
135.08008	3.4
135.11674	37.8
137.09596	6.0
137.13235	24.1
141.06895	2.1
143.08565	4.0
144.09315	2.6
145.06491	9.9
145.10091	26.0
147.04376	4.5
147.11662	20.3
149.09615	3.2
149.13211	30.3
150.13622	1.8
151.11192	2.5
151.14796	3.3
155.08456	2.1
157.10091	5.9
158.10953	2.0
159.08029	2.9
159.11668	33.0
160.12169	2.4
161.13232	27.6
163.11159	1.8
163.14790	14.1
165.09090	26.4
165.12813	3.3
167.08591	1.7
169.06688	2.4
171.08023	3.7
171.11662	5.0
173.13223	14.1
175.14796	20.9
177.12721	3.6
177.16347	17.1
179.14282	2.8
183.11656	2.6
185.09558	2.3
185.13228	5.0
187.11360	2.0
187.14827	10.9
189.12881	1.9
189.16347	18.6
191.14272	2.7
191.17920	39.0
191.19511	3.3
192.18295	2.0
193.15865	3.1
195.11649	2.6
199.14848	4.1
201.16321	11.8
203.14288	1.9
203.17903	15.0
205.12250	2.4
205.15852	4.4
205.19542	9.4
211.11157	1.8
213.16273	4.1
215.17912	24.8
217.15808	4.1
217.19463	13.1
219.17355	13.0
219.20900	2.9
221.15288	3.0
227.14250	2.6
227.17928	2.1
229.19466	3.6
231.17467	4.0
231.20966	3.4
233.18959	20.7
239.17973	2.0
241.19458	2.2
243.21240	3.4
245.19003	4.0
245.22597	5.5
251.20015	7.4
255.21091	3.0
257.18655	1.9
257.22507	2.3
261.18521	2.2
263.19885	4.8
273.14862	3.0
273.21985	3.2
291.23099	2.7
313.28809	2.9
315.04913	1.9
349.21597	4.4
367.08008	3.0
367.22763	8.5
405.24222	3.7
405.35233	3.2
423.14255	3.9
423.36249	19.2
441.15430	22.4
441.26895	11.8
441.37329	41.8
442.15857	3.6
442.26471	2.9
442.37476	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	442.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07852	2.6
50.59130	2.3
52.63719	2.2
57.03418	8.5
57.07056	4.0
61.02922	3.0
67.05473	4.1
69.03417	25.2
70.06573	10.2
71.04963	3.8
71.63274	5.3
85.02890	48.9
87.04449	16.1
88.03973	8.6
91.05459	3.7
95.04941	11.4
96.08117	2.6
97.02877	28.0
98.09676	25.4
99.04436	3.3
109.02840	4.3
113.05988	18.4
115.03918	30.3
116.07064	4.3
127.03857	6.8
131.07019	100.0
133.04938	26.3
135.02557	3.8
137.05971	3.0
142.08551	3.6
144.10213	4.6
145.04912	14.5
163.02115	28.0
163.05942	6.0
199.60820	2.8
288.14227	2.9
293.12344	5.8
299.13797	3.7
301.20065	3.0
442.17062	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
54.93238	0.9
55.05505	7.2
57.07058	2.7
60.32717	0.9
65.06109	0.9
67.05498	12.2
69.03430	1.3
69.07059	14.1
71.04998	1.3
71.61780	0.9
71.62155	1.2
73.06538	0.8
79.05480	7.8
81.03400	1.9
81.07043	24.0
83.04970	1.9
83.08618	6.5
84.04485	1.2
91.05468	6.3
93.07030	13.5
95.04953	2.7
95.08596	31.9
97.06507	7.1
97.10172	4.7
105.07019	9.8
107.04914	1.5
107.08575	16.0
109.06523	1.8
109.10139	20.9
110.10487	1.3
111.08076	2.9
117.06999	2.6
119.08563	13.2
121.10131	14.2
123.08015	1.2
123.11689	9.7
125.09578	1.3
128.06186	1.0
129.07001	2.1
130.05026	1.0
131.08531	3.6
133.10144	7.4
135.04451	0.9
135.08081	1.2
135.11662	11.1
136.32335	0.8
137.09604	2.5
137.13225	9.1
139.11205	1.2
141.07034	0.9
143.08542	2.1
145.06453	1.6
145.10103	7.5
147.04410	1.8
147.07982	1.2
147.11659	8.9
149.09573	1.4
149.13264	8.6
151.07515	2.2
151.11153	1.3
155.08560	1.0
157.10121	2.4
159.08029	1.2
159.11644	8.5
161.13237	6.8
163.03876	2.9
163.11229	1.3
163.14784	3.0
164.68907	0.9
165.05608	0.9
165.09099	17.2
167.07034	1.1
169.10092	1.4
171.08090	1.2
171.11687	2.1
173.13235	3.5
175.07545	1.5
175.11177	1.0
175.14722	4.3
177.05519	3.0
177.09015	1.6
177.12711	1.1
177.16383	5.8
178.06236	6.7
183.11743	1.2
185.13277	1.8
187.11162	1.4
187.14804	3.5
189.09088	2.0
189.16394	3.6
191.03418	1.9
191.10571	0.9
191.17894	8.4
193.15854	1.0
197.13268	1.8
199.14772	2.4
201.16348	4.3
203.10657	3.9
203.17938	6.1
205.04939	2.0
205.12192	2.0
205.15988	1.7
205.19498	2.0
213.16335	1.4
215.17943	4.3
217.12219	1.8
217.19537	2.4
219.17355	2.9
229.12288	3.1
229.15852	1.1
229.19498	1.1
231.06458	1.5
231.13631	1.2
233.19077	2.6
243.21054	1.1
245.22589	1.1
268.07336	1.5
269.04324	1.3
273.19064	0.9
273.21954	1.2
285.03912	1.3
287.05591	2.1
291.23178	1.1
296.06613	1.6
297.04062	1.1
301.18051	0.9
303.23203	1.1
307.05991	1.5
311.05472	1.2
311.09058	1.6
312.09821	1.9
315.04868	3.0
315.08554	1.8
327.05035	1.4
330.07144	1.5
333.07330	1.0
336.26099	1.0
339.04953	1.7
339.08505	4.1
341.18591	0.9
344.24432	1.1
349.07104	1.5
351.08731	1.2
352.05536	1.3
355.08020	1.7
365.09998	1.3
367.08090	14.3
367.22614	1.4
368.08224	1.2
369.09528	2.8
382.10449	3.4
383.10913	5.0
384.11530	1.3
385.12238	1.2
395.36868	1.5
397.12769	7.7
411.10696	16.2
412.10898	2.3
423.36368	7.7
426.12830	5.4
441.15390	100.0
441.27036	3.0
441.38165	12.0
442.15744	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05510	12.8
57.07095	3.5
67.05492	20.1
69.07058	18.8
69.86092	16.5
72.18138	2.7
79.05490	15.5
81.07047	42.0
83.08615	7.8
89.24104	2.9
91.05482	9.7
93.07024	43.1
93.65688	2.5
95.04948	2.9
95.08595	84.2
95.09206	4.8
96.08929	2.4
97.10180	4.4
105.06998	19.4
107.08573	39.4
109.10147	57.8
111.11702	6.6
119.08569	19.2
121.10124	59.2
121.10973	3.4
123.08068	11.1
123.11685	23.0
129.07027	2.6
131.08551	5.7
133.10114	25.8
135.08090	3.9
135.11690	21.7
137.09613	4.2
137.13225	12.0
139.11162	3.6
143.08571	3.0
145.10162	8.9
147.11729	6.1
149.09607	63.3
149.13213	22.9
150.09840	2.5
151.11238	7.9
159.11702	10.2
161.13298	7.0
163.11205	6.8
163.14838	20.1
167.10683	10.2
171.11726	4.8
173.13290	6.7
175.14828	7.8
177.12755	7.5
177.16418	8.0
179.14404	2.6
187.14877	8.0
189.16339	5.7
191.18016	7.7
199.14839	3.9
201.16376	6.2
203.14365	3.8
203.18008	9.2
205.15828	15.6
205.19469	15.0
215.17992	5.0
219.17535	10.2
219.21007	17.2
229.19565	2.9
233.18935	3.2
405.35120	8.1
410.54407	2.9
423.36185	44.9
441.37381	100.0
442.37631	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05499	18.1
57.07065	11.0
67.05491	28.4
69.07062	30.9
71.05000	3.1
71.63754	3.4
79.05476	28.6
81.07040	54.6
83.08604	19.2
85.02885	3.0
91.04905	4.1
91.05453	25.0
93.07032	42.5
95.04961	7.3
95.08597	72.7
96.73487	2.9
97.06506	5.9
97.10149	8.7
99.08088	4.6
105.07016	45.6
107.08580	75.6
109.06492	4.0
109.10143	59.5
111.08057	10.3
113.09589	4.0
117.07023	16.3
119.08565	85.2
120.08893	3.1
121.06442	3.9
121.10135	63.0
123.08054	4.5
123.11691	24.0
125.09617	4.4
129.06946	4.0
131.04935	3.0
131.08563	38.6
133.10120	59.8
135.08025	3.5
135.11674	50.4
137.09547	3.3
137.13255	11.4
139.11108	3.2
143.08519	9.7
144.09402	4.2
145.06480	3.4
145.10117	42.9
147.11673	48.8
149.13174	18.9
151.11191	6.7
153.12753	3.5
157.10146	8.5
159.11679	47.2
161.13255	42.6
163.14804	32.5
165.09117	10.7
167.06975	3.5
169.10161	3.8
171.11705	8.4
173.13245	30.0
174.13638	3.2
175.07520	8.4
175.14790	50.3
177.05522	4.3
177.16351	44.7
178.06184	6.8
179.14323	5.7
185.13249	8.0
187.14795	35.7
189.16351	37.3
191.14249	4.7
191.17969	31.6
193.15924	4.3
197.13272	4.4
199.14854	11.2
201.16356	72.2
202.16826	3.0
203.17940	51.2
205.04922	4.3
205.15808	8.3
207.17461	25.4
213.16382	7.8
215.14520	4.5
215.17917	100.0
217.19513	16.1
219.17415	7.0
221.19041	7.9
225.16328	3.7
227.17972	6.4
229.19489	16.2
233.19049	8.3
241.19482	8.0
243.21025	17.5
255.20998	7.9
257.22690	3.3
261.22104	5.8
269.22754	8.8
271.24197	4.5
273.22250	3.7
281.22559	5.3
283.24170	7.2
285.21951	3.1
287.23810	4.6
301.25150	4.0
318.07239	2.8
339.08484	3.1
359.47586	3.3
367.07840	15.2
367.22461	3.6
382.10425	3.5
397.12796	30.7
405.35110	13.9
411.10681	7.9
423.36194	99.4
424.36313	8.9
441.15402	93.0
441.26361	7.7
441.37500	28.6
442.15747	20.8
442.37906	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05505	23.4
57.03444	3.5
57.07066	16.5
65.20465	3.3
67.05495	34.6
69.07061	46.4
69.28474	26.6
69.28888	8.3
71.08620	4.1
71.37088	3.1
79.05477	13.5
81.07053	60.2
81.80888	3.2
83.08604	16.8
87.04454	6.0
91.05489	10.1
93.07045	35.5
95.08591	100.0
97.06525	5.0
97.10157	12.8
98.21466	8.0
105.07034	22.8
107.08580	54.0
109.10149	78.9
111.11704	12.3
117.07009	5.2
119.08574	37.9
121.10137	56.7
123.08112	4.3
123.11699	36.8
131.08551	8.1
133.10126	27.8
135.11688	36.2
137.09599	3.8
137.13234	18.0
143.08595	4.7
144.09351	3.6
145.10068	18.6
147.11673	13.3
148.36395	3.3
149.13226	18.0
150.80180	3.1
157.10193	8.7
159.11664	13.1
161.13301	16.1
163.11182	5.0
163.14810	12.7
171.11681	7.8
173.13188	17.3
175.11241	3.5
175.14807	16.2
177.12744	5.2
177.16356	10.9
185.13321	5.5
187.14784	9.9
189.16359	19.2
191.17880	16.4
193.12227	4.1
199.14734	7.9
201.16335	8.0
203.17938	6.8
205.15938	4.3
205.19521	14.0
207.17410	9.3
213.16318	10.1
215.17976	4.6
217.15855	5.1
217.19502	6.0
219.17439	12.7
231.17421	6.2
231.21065	11.5
235.16907	9.6
245.22621	4.7
249.18546	3.7
295.24277	4.8
405.35101	35.8
423.36304	21.9
441.37296	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	441.372
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03942	1.1
55.05471	1.4
57.07062	1.5
67.05490	6.2
69.07055	8.9
69.64775	1.5
69.65193	4.8
79.05473	3.1
81.07043	13.9
83.08609	2.3
91.05472	2.5
93.07036	11.0
94.29951	0.9
95.00529	0.8
95.08015	1.3
95.08592	20.0
95.90287	0.7
97.10151	1.5
98.20710	1.6
103.71922	0.7
105.07004	3.8
107.08579	9.3
109.10139	32.0
111.11711	2.0
117.06963	0.8
119.08561	3.7
121.06510	2.6
121.10124	30.2
123.08035	1.3
123.11690	7.6
131.08510	1.6
133.10126	3.9
135.08028	4.1
135.11685	5.0
137.09599	1.4
137.13243	4.8
145.10132	1.3
147.08025	1.3
147.11687	2.2
149.09573	4.5
149.13283	5.7
159.11694	1.8
161.09618	1.8
161.13268	1.9
163.07533	1.4
163.11153	1.8
163.14778	5.4
165.09067	6.0
173.13170	1.9
175.14809	2.8
177.16393	2.1
187.14816	2.5
189.12811	2.1
189.16313	1.7
203.14247	3.7
203.17932	1.6
205.12231	1.2
205.15865	2.2
205.19522	3.1
217.15839	1.2
219.21021	1.3
299.66977	0.8
345.69901	0.9
405.35062	1.2
423.36215	1.3
441.37247	100.0
442.37518	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03930	2.7
55.05501	6.9
56.01696	0.8
57.07059	2.6
64.97814	0.9
67.05492	15.4
67.44245	0.9
69.07061	8.7
69.86851	2.1
69.87251	5.1
79.05479	15.6
81.07041	27.6
81.07497	1.9
83.08603	4.1
89.33206	1.1
91.05470	8.8
93.06441	1.8
93.07034	35.9
94.07369	1.0
95.04961	2.6
95.08595	54.7
96.08936	0.9
97.10141	2.3
100.48904	0.9
105.07013	13.0
107.04917	1.2
107.08574	26.5
109.10137	48.1
111.08099	2.3
111.11697	2.7
114.86726	1.0
119.08548	7.2
121.06527	1.6
121.10126	59.3
123.08057	3.0
123.11687	25.7
131.08546	2.0
133.10086	4.4
135.08057	3.8
135.11667	14.5
137.09621	2.2
137.13225	5.4
139.11163	5.3
145.10110	3.6
147.11653	2.4
149.09596	100.0
149.13234	19.4
150.09958	2.1
151.11160	10.7
158.13144	1.0
159.11696	2.7
161.13213	2.7
163.11145	5.0
163.14780	18.1
167.10680	9.9
173.13333	1.6
175.14787	2.2
177.12737	6.4
177.16399	1.7
178.76765	0.9
187.14799	3.2
188.15224	1.0
189.16365	2.5
191.17870	1.7
201.16382	1.8
203.14297	4.3
205.15852	23.0
205.19495	12.7
207.17419	1.5
215.18040	1.8
217.11731	1.1
217.15834	2.1
217.19545	2.1
219.17493	11.0
219.21007	23.1
220.21385	1.5
224.60623	0.9
231.17607	1.2
277.11115	0.9
313.25180	2.9
331.26419	1.8
334.64859	0.9
345.27850	5.1
353.28214	1.0
405.35080	2.9
423.36172	45.0
424.36502	3.5
441.37216	68.3
442.37436	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	441.3721
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03930	0.3
55.05504	1.7
57.07055	1.2
67.05495	2.6
69.03400	0.7
69.07056	4.5
69.61423	1.9
75.79825	0.3
79.05466	1.5
81.07042	7.2
83.04971	2.9
83.08614	1.5
85.06525	0.4
91.05457	1.8
93.06445	0.3
93.07033	4.8
95.04939	0.9
95.08592	13.7
96.08904	0.3
97.06509	0.7
97.10125	0.8
105.07019	3.3
105.41220	0.3
107.08577	8.8
109.06480	1.4
109.09413	0.5
109.10142	8.5
111.08064	0.8
111.11714	1.2
117.41624	0.3
119.08561	5.6
121.06494	1.2
121.10119	8.7
123.08048	1.6
123.11681	3.8
125.09604	0.5
131.08546	1.1
133.09181	0.4
133.10117	4.5
135.08028	3.3
135.11676	7.9
137.09601	1.2
137.13240	3.1
139.11127	0.6
143.08527	0.6
145.10120	1.7
147.11673	2.6
149.09599	12.1
149.13242	2.5
150.09851	0.4
151.11157	0.6
155.62518	0.3
157.10117	0.9
159.11667	2.3
161.09546	0.7
161.13211	1.7
163.11145	1.1
163.14816	1.1
165.28444	0.3
171.11635	0.5
173.13208	1.8
175.11078	0.4
175.14807	2.6
177.12746	1.0
177.16338	2.9
179.14293	0.5
181.66411	0.3
185.13261	0.5
187.14790	0.9
189.16354	3.8
190.16849	0.3
191.14386	0.4
191.17938	3.9
199.14868	0.6
201.16330	0.5
203.17935	0.7
205.15791	0.3
205.19527	1.1
207.17386	0.5
213.16370	0.7
215.17961	2.8
217.15814	0.6
217.19397	0.5
219.17421	0.4
221.15446	0.4
227.18002	0.5
229.19499	0.7
231.17419	0.9
233.18958	4.1
235.16891	2.4
241.19524	0.4
243.21140	0.8
245.19034	0.6
247.20494	0.5
257.22534	0.4
259.17932	0.3
259.20624	0.5
259.24249	0.4
261.22180	0.6
267.20923	0.3
269.22571	0.9
271.20688	0.3
273.21808	0.3
285.22208	0.4
287.23654	6.6
288.23981	0.4
301.25092	0.4
327.27060	0.3
349.41095	0.3
363.58578	0.3
405.35031	0.5
423.36279	1.5
439.21439	0.3
441.37216	100.0
442.37616	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	441.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.05499	5.1
57.09091	1.5
62.51440	1.4
64.50135	1.5
65.03945	1.9
67.05494	8.5
69.03419	13.6
69.07060	1.8
69.49373	12.4
69.49774	3.1
69.98318	1.4
70.06591	2.1
71.01332	1.8
71.04978	7.6
79.05472	5.2
81.02966	1.6
81.03407	24.1
81.07047	8.2
83.04974	4.5
85.02914	1.6
91.05461	13.9
93.07034	36.6
95.04968	23.7
95.08591	8.3
96.46021	1.4
97.02888	1.7
97.06512	2.3
99.04454	3.5
100.16686	1.5
105.07021	31.4
107.08576	7.0
109.02869	11.8
109.06507	28.3
109.10162	1.5
110.88477	1.6
111.04446	12.2
111.08083	4.0
113.06039	2.0
117.07003	5.1
119.04908	1.5
119.08561	27.1
121.06493	18.0
121.10078	3.2
123.08034	5.6
127.03899	2.4
128.06184	2.4
129.07039	3.8
131.08578	9.7
133.06467	4.3
133.10109	11.6
135.08029	5.6
137.05956	4.3
137.09573	3.1
139.07497	3.1
142.07756	7.3
143.08554	10.5
145.06488	3.9
145.10094	26.8
146.07265	3.1
147.04391	3.8
147.08054	8.8
147.11665	5.0
149.05998	2.2
149.09599	2.5
151.07507	3.9
155.08478	3.1
156.09343	3.2
157.10107	21.0
158.07262	4.4
158.10947	2.1
159.08023	9.5
159.11682	13.3
160.08841	1.8
161.05934	2.0
161.09595	40.2
163.07504	5.0
168.09305	3.1
171.08063	3.3
171.11673	3.5
172.08797	3.7
173.09613	8.0
173.13252	15.0
174.06720	2.3
175.07666	1.9
175.11176	14.8
177.09123	2.5
183.11676	5.3
185.09555	4.9
185.13223	7.4
187.11140	11.8
189.09081	13.2
196.08835	4.7
201.12708	15.1
203.10617	27.7
203.14255	1.6
205.12175	4.6
211.11134	15.0
217.12215	3.6
219.13799	12.8
229.12228	18.7
247.13281	100.0
248.13663	2.0
265.14352	5.1
441.21063	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	441.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97204	2.1
53.03926	8.9
55.05498	7.4
59.79072	2.0
61.34978	2.2
64.97545	2.4
67.05498	14.8
69.03425	24.8
69.07047	3.3
70.01386	5.9
70.01806	8.5
70.06581	5.3
71.04964	3.3
71.25680	2.3
79.05479	10.2
81.03399	16.2
81.07039	10.8
83.04967	5.0
85.02866	5.2
91.05461	20.4
93.07037	37.0
95.04959	31.5
95.08590	9.3
97.02862	5.3
97.06522	6.5
99.04454	2.6
105.06342	4.0
105.07018	47.9
107.04917	3.7
107.08596	11.7
107.95435	2.1
109.02853	10.3
109.06509	36.2
109.10126	3.3
111.04430	15.6
111.08089	4.9
113.06001	6.4
117.07008	7.7
119.04936	11.2
119.08572	35.6
121.02776	2.4
121.06508	25.8
121.10126	3.7
123.08046	13.3
125.05965	3.0
128.06213	4.1
129.06999	8.5
129.11115	2.4
131.08559	19.1
133.06468	8.0
133.10106	19.5
135.08000	9.5
137.05937	6.1
137.09593	3.4
139.07480	3.7
141.06995	4.1
142.07722	13.7
143.08534	14.7
144.05637	2.4
144.09329	2.7
145.06448	7.5
145.10133	29.3
146.07283	6.6
147.04398	49.1
147.08035	11.3
147.11641	8.0
149.05942	3.8
149.09689	2.3
151.07474	2.7
155.08479	5.6
156.09369	6.8
157.10103	28.3
158.07233	6.7
159.08032	13.2
159.11632	16.0
160.08788	6.0
161.05946	5.1
161.09601	37.2
163.07515	4.9
171.08006	5.6
171.11668	6.0
172.08771	5.7
173.09647	18.1
173.13223	13.8
174.06708	3.8
175.07504	9.6
175.11134	18.3
177.09100	3.7
183.11662	10.7
185.09546	6.8
185.13234	5.9
187.11156	16.2
189.09061	14.1
193.08627	3.7
196.08774	3.0
201.12756	17.4
203.10661	40.6
205.12256	3.9
211.11137	14.3
217.12227	6.9
219.13777	13.3
229.12215	18.1
246.48817	2.7
247.10712	5.1
247.13284	100.0
248.13483	3.1
265.14304	4.5
279.08600	9.3
314.47903	2.6
401.69666	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49126	2.5
53.03930	9.2
55.01864	4.1
55.05502	8.6
59.04999	3.8
65.03931	4.8
67.05495	8.6
69.03432	20.2
69.07031	3.5
69.89680	9.1
69.90089	6.4
70.06592	3.0
71.04996	12.4
71.63036	2.4
75.69759	2.4
79.05469	12.8
81.02943	5.1
81.03409	85.2
81.07030	7.9
82.23940	2.5
83.04969	40.0
84.08094	4.5
85.02887	13.8
85.06557	5.2
86.09720	3.8
91.05458	25.7
93.07034	28.2
95.04960	5.7
95.08586	7.9
97.02889	15.1
97.06496	3.1
98.21429	2.7
99.04440	7.6
105.07018	16.0
107.04954	3.6
107.08589	50.5
109.02868	75.4
109.06489	7.8
109.10117	6.2
111.04425	6.8
113.06002	7.6
117.06973	12.4
119.04962	4.5
119.08556	13.9
121.02865	7.3
121.06493	40.6
121.10138	6.9
123.08051	7.7
127.03889	14.4
129.06966	4.9
130.62326	2.6
131.08554	12.8
133.10144	12.1
135.08041	75.6
135.11678	4.1
136.08365	3.5
137.05934	7.0
137.09610	3.2
141.06917	3.1
143.08546	4.5
144.09341	5.0
145.06468	7.4
145.10086	9.4
147.04393	27.1
147.08055	6.2
147.11702	3.0
149.05989	2.8
149.09592	11.8
151.11197	3.9
157.10092	6.3
158.10847	6.9
159.08034	11.4
159.11638	19.7
160.08781	3.9
161.09618	9.3
163.07527	58.5
163.08672	3.4
165.09068	4.1
171.08116	3.9
172.08786	8.9
173.09653	10.9
173.13222	34.1
175.08682	10.6
175.14746	4.1
177.05537	5.6
177.81216	2.6
183.11636	5.9
185.09546	2.5
185.13304	2.9
186.10367	10.7
187.11148	51.6
189.09027	3.6
191.06992	12.7
191.14244	3.5
193.04851	4.6
201.12749	55.9
205.12209	27.7
211.11234	5.1
219.13698	22.7
229.12221	73.2
230.12561	3.6
247.13278	100.0
248.13702	4.0
303.13461	4.4
423.20001	6.9
441.11298	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	441.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.01861	3.6
55.05499	10.5
61.40616	2.6
61.46936	2.8
61.63544	2.7
64.22410	3.3
67.05491	12.4
69.03426	17.6
69.07056	5.5
70.06584	4.2
71.04971	3.9
71.59560	3.4
79.05470	11.6
81.03395	16.2
81.07040	8.6
83.04507	4.9
83.04966	43.2
83.08615	2.9
84.08157	4.7
85.02893	11.8
85.06540	7.3
86.09685	6.2
87.69518	3.1
91.05463	29.5
93.07033	14.0
95.04958	7.3
95.08595	5.6
95.39999	3.2
97.02884	50.9
105.07037	18.1
107.04912	5.2
107.08579	42.6
109.02832	19.5
109.06503	12.9
113.05972	3.8
115.05426	5.1
117.03316	5.4
117.07001	9.8
119.04913	15.5
119.08588	15.9
120.08009	3.5
121.06493	35.5
121.10154	8.0
123.80880	2.7
127.03941	3.2
127.38797	2.7
128.06192	4.2
131.08580	17.2
133.10100	12.8
135.07056	5.3
135.08035	68.0
137.05937	10.5
137.09593	4.7
141.49680	3.5
143.08588	6.5
143.72430	4.2
143.76160	3.0
144.09325	7.3
145.02812	12.3
145.06456	7.2
145.10100	8.3
147.04384	58.2
147.08031	4.2
149.05951	3.5
149.09615	12.5
151.03868	3.7
151.05142	2.9
157.10089	3.8
158.10828	6.8
159.08034	17.3
159.11688	17.1
160.08836	5.1
161.09563	6.4
163.07507	58.4
167.03363	4.6
170.10916	4.0
171.07999	5.3
172.08815	8.0
173.09561	15.9
173.13248	37.0
177.05403	20.9
177.09052	3.0
183.11661	4.5
185.13248	4.1
186.10432	16.6
187.11154	69.5
191.07013	18.2
193.04965	6.4
197.05913	3.5
201.12720	60.9
205.12173	16.8
210.04732	3.8
211.11179	7.4
215.06920	5.3
219.13786	13.9
229.12201	77.6
247.13289	100.0
261.07565	7.3
262.26361	3.1
395.07471	5.5
423.07104	3.9
441.07559	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.154
Annotation	Pharacine
Peak:m/z	Relative Intensity
53.03939	0.7
55.01864	0.7
55.05501	3.1
57.07059	1.1
60.80799	0.4
63.89432	0.4
65.03905	0.4
67.05495	3.3
68.05790	0.5
68.99784	1.0
69.03411	1.0
69.07054	4.0
71.04967	0.5
71.59267	0.7
79.05487	2.2
81.03399	0.7
81.07045	5.1
83.04975	1.0
83.08590	3.0
83.48468	0.4
90.63709	0.5
91.05460	2.8
92.93304	0.4
93.07024	3.0
95.04939	0.8
95.08589	5.0
97.02902	0.7
97.06512	3.0
97.10180	0.9
105.07014	3.1
107.04957	1.6
107.08580	3.6
109.06494	0.4
109.10146	3.8
111.08025	0.6
111.11723	0.4
117.06985	0.8
119.04909	0.5
119.08533	2.2
121.06501	1.1
121.10146	2.0
123.04380	0.7
123.08030	0.7
123.11713	1.3
125.09612	0.5
129.06966	1.1
130.07707	0.4
131.04927	0.9
131.08571	1.7
133.10115	1.8
135.04448	0.6
135.08054	0.6
135.11678	1.0
136.79686	0.5
137.05969	0.4
137.09625	0.5
137.13246	1.2
139.07616	0.5
141.06961	0.6
143.08492	2.1
145.06451	3.1
145.10101	1.8
147.04379	2.1
147.08038	0.7
147.11676	1.8
149.05969	0.7
149.09630	0.9
149.13280	0.7
151.07515	1.9
153.01817	1.2
153.05499	0.5
155.08525	0.9
157.06520	0.8
157.10083	1.2
159.08061	0.6
159.11710	1.4
161.05972	0.9
161.13245	0.9
163.03848	2.4
163.14758	0.7
165.05492	0.6
165.09096	5.3
167.03397	1.1
167.06993	1.7
167.08374	0.5
169.10168	0.7
171.07977	0.5
171.11656	0.7
173.05963	0.8
173.13258	0.8
175.03877	0.7
175.07486	0.9
177.05495	1.1
177.09125	0.6
178.06235	4.3
179.03548	0.5
179.07063	1.1
181.08629	0.7
185.13284	0.9
187.14812	0.7
189.09108	0.9
191.03499	0.6
191.07031	1.4
191.17986	0.5
192.07513	0.5
194.09351	1.0
195.06468	0.6
197.13226	0.8
199.14780	2.0
201.05486	0.6
201.09145	0.5
201.16415	0.5
203.06900	0.5
205.04930	0.7
207.94029	0.4
215.07060	0.4
216.04106	0.5
219.06517	0.6
227.07039	0.5
229.04794	0.6
231.06496	1.0
239.07109	0.6
241.04922	0.8
255.02814	1.0
255.06558	0.6
257.04404	0.5
265.04910	0.6
267.06589	0.5
268.03839	0.7
268.07239	0.5
269.04303	0.8
271.05905	0.6
273.14703	0.6
277.08533	0.5
279.06528	0.7
281.04395	0.6
281.08170	0.8
283.05807	1.1
283.16858	1.0
285.03940	1.2
285.07303	0.6
287.05505	1.3
294.08682	0.4
295.05841	0.7
296.06961	0.6
297.03986	1.5
297.07376	1.0
299.05460	1.5
300.05771	0.6
307.05975	1.0
307.09677	0.7
310.04980	0.6
311.05417	2.4
312.06250	1.3
312.09851	0.7
313.03397	1.2
313.07080	1.4
314.03790	0.6
315.04974	3.8
315.08401	1.1
321.04059	0.5
322.04642	0.6
322.08371	0.6
323.05527	0.6
323.08932	0.7
325.07092	1.3
325.10632	0.9
326.07788	1.1
327.04941	7.3
327.08670	2.0
329.06476	0.5
329.10049	0.6
330.07401	1.7
333.07114	0.8
337.06976	0.9
337.10638	0.6
339.04968	3.5
339.08685	1.2
340.05716	0.6
341.02853	5.4
341.06525	1.1
342.03384	0.7
342.07382	1.5
343.07944	1.0
344.08859	1.8
345.09720	4.3
347.09296	0.8
349.03378	0.8
349.21521	1.0
350.07614	0.5
351.04807	0.7
351.08667	0.7
353.06424	1.4
353.10269	1.5
354.07230	0.5
355.04425	0.6
355.08099	4.7
356.05200	1.5
357.05521	0.6
357.09653	6.6
358.10239	0.7
365.06122	2.1
365.10535	2.8
367.07968	4.6
367.11993	0.6
367.22681	1.5
369.09586	2.7
371.07550	8.6
375.08432	1.1
378.07495	0.6
381.09628	5.5
382.10181	1.3
383.07745	0.7
383.11487	4.7
385.08890	1.0
385.13300	0.6
387.10992	0.6
390.10803	0.7
393.09644	9.4
394.10126	0.7
395.14877	1.1
397.12814	2.3
405.13263	0.6
407.11252	0.9
408.11920	1.5
411.09995	5.4
411.14825	2.0
413.15869	3.0
423.14386	7.7
423.32504	1.7
426.13223	1.7
430.32687	0.5
441.15405	100.0
441.26025	3.2
441.33539	5.2
442.15665	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	441.1539
Annotation	Pharacine
Peak:m/z	Relative Intensity
50.15772	0.5
55.63745	0.5
63.70892	0.4
68.12928	0.4
69.07056	1.1
70.01489	2.6
79.05479	1.5
79.09793	0.5
81.07069	0.6
95.01304	0.7
97.06509	5.8
98.20770	0.9
105.06992	0.5
123.00780	2.1
135.04428	0.5
151.00288	1.3
151.07533	0.5
152.01003	1.2
152.61058	0.5
153.01820	1.2
162.03090	0.7
163.03879	2.6
164.04655	0.7
165.09090	1.7
167.07164	0.7
169.01335	0.5
177.05440	1.6
178.06226	11.8
179.07013	1.3
182.38477	0.4
185.05934	0.6
191.03314	0.5
191.06989	0.7
192.07764	0.9
201.05487	1.1
205.04971	1.0
213.05519	1.1
216.04253	1.2
216.07773	0.9
217.08629	0.6
221.08035	0.9
229.05042	1.4
240.04195	0.6
241.04965	1.2
242.05664	0.7
244.03297	0.5
244.07269	0.7
255.02753	2.6
255.06587	0.9
257.04514	2.0
257.07849	0.6
258.05261	1.1
259.06094	1.2
267.03067	0.6
267.06332	0.6
268.03549	0.9
269.04398	2.6
270.05170	1.0
271.05951	0.6
272.06729	1.9
273.07596	1.7
281.04501	0.7
282.05060	0.7
283.02328	2.8
283.05945	2.5
285.04440	3.6
285.07581	3.6
286.04623	0.9
287.05484	3.3
297.03940	1.0
298.04626	5.5
299.01871	0.8
299.05386	1.2
300.02914	0.9
300.06259	4.3
301.07028	5.5
306.05429	0.5
311.05402	1.0
312.06274	1.2
312.09927	1.2
313.03458	1.1
313.07028	4.3
314.04147	2.6
315.04944	7.8
315.08597	10.2
316.08981	0.5
329.06503	11.3
329.10352	0.8
330.07227	3.8
343.08066	6.4
344.08847	41.9
345.09525	8.7
365.10397	0.7
367.22705	0.5
383.11093	1.3
393.09366	0.6
397.12561	0.7
411.10657	18.8
412.11322	1.1
426.13257	3.5
441.15399	100.0
442.15790	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1538
Annotation	Pharacine
Peak:m/z	Relative Intensity
55.01859	0.5
55.05492	1.8
57.03412	0.5
57.07069	0.3
57.14606	0.3
66.62390	0.3
67.05503	2.0
68.99772	0.9
69.07058	2.2
69.30864	3.6
78.06530	0.3
79.05499	1.6
81.03406	1.8
81.07047	3.2
83.04953	1.5
83.08604	0.7
85.06520	0.5
91.05464	1.4
93.07021	1.9
95.04948	1.9
95.08591	2.4
97.06519	1.9
97.10151	0.5
98.20619	0.5
102.17010	0.3
103.05446	0.5
105.07016	1.7
107.04928	1.3
107.08581	1.9
109.06503	0.6
109.10138	1.3
112.40374	0.4
117.07027	0.7
119.04885	0.3
119.08547	1.0
121.06493	0.6
121.10134	1.0
123.04386	0.4
123.11679	0.7
125.06052	0.5
128.06253	0.6
129.06982	1.1
131.08551	0.8
133.06407	0.5
133.10120	0.7
135.04410	0.8
135.08018	0.6
135.11693	0.5
137.05963	0.6
137.09586	0.8
137.13261	0.4
137.92668	0.3
139.03867	0.5
141.06989	0.6
142.07732	0.4
143.08551	0.7
145.06462	1.1
145.10156	0.8
147.04373	1.0
147.11673	0.5
148.04944	0.4
149.05957	0.4
149.09599	0.8
151.07521	1.4
153.01772	0.6
153.05374	0.5
153.06955	0.4
154.06245	0.7
155.08521	1.4
157.06480	0.5
157.10126	0.4
159.08034	0.7
159.11610	0.5
161.05942	0.7
161.13225	0.4
163.03853	2.6
165.07005	0.5
165.09105	8.8
165.12723	0.4
167.03348	1.1
167.07002	1.4
167.08537	1.0
169.10056	1.0
169.55843	0.3
171.08125	0.4
173.05957	0.5
173.13222	0.5
175.07523	0.4
177.01883	0.4
177.05481	1.0
177.09206	0.6
177.53122	0.3
177.83112	0.4
178.06229	7.1
178.07768	0.5
179.03348	0.4
179.06979	1.1
179.08478	0.7
181.08539	0.9
181.10077	0.8
183.08031	0.3
183.11703	0.5
185.05936	0.6
185.13261	0.4
187.11151	0.5
189.09010	0.4
189.12646	0.6
191.03371	0.8
191.06992	1.2
191.08591	0.4
192.07727	0.6
192.09297	0.4
193.05020	0.4
193.08482	0.3
193.10175	0.5
194.09338	0.7
195.06474	0.4
195.08057	0.8
195.11679	0.7
196.08771	0.4
197.05925	0.5
197.09528	0.5
197.13289	0.6
199.11166	0.4
201.05424	0.6
201.09091	0.4
203.03316	0.5
203.10771	0.6
205.04881	0.4
205.12196	0.9
207.06435	0.5
209.09633	1.1
209.13072	0.3
211.11206	0.8
213.05386	0.7
213.12794	0.4
216.04242	0.6
217.05011	0.4
219.06474	0.6
219.11575	0.4
225.05310	0.6
225.12685	0.4
227.06999	0.7
228.15852	0.3
229.04929	0.9
231.06551	0.8
235.11089	0.4
237.12665	0.6
241.04953	0.9
243.06462	0.5
245.08043	0.4
251.14267	0.6
253.04823	0.8
255.02835	0.8
255.06546	0.8
257.04462	0.8
257.08096	0.6
265.04800	0.5
267.02811	0.4
267.06393	0.4
269.04483	1.1
271.06055	0.6
281.04385	0.8
281.08044	0.8
282.05191	0.8
282.08484	0.4
283.05975	2.0
285.03937	1.0
285.07602	1.5
287.05438	1.1
293.04538	0.5
294.08743	0.8
295.02646	0.4
295.05896	0.9
295.09494	0.4
297.03912	1.2
297.07556	0.9
299.05405	1.9
301.07352	0.5
303.21017	0.4
309.03799	0.6
310.04648	0.4
311.05447	3.2
312.06183	1.2
313.03381	1.2
313.07062	2.9
313.10367	0.5
314.03882	0.5
314.07535	0.7
315.04968	4.7
315.08514	1.0
321.04086	0.5
321.21967	0.6
323.05450	0.7
324.06192	0.4
325.03336	0.9
325.07062	1.1
325.10629	0.6
326.07867	1.5
327.04932	9.5
327.08643	2.4
328.05264	0.7
329.06555	1.2
329.10233	0.9
330.07242	1.7
333.07510	0.6
335.05310	0.5
337.06848	1.1
337.10620	0.8
339.04932	3.7
339.08490	0.5
341.02905	4.9
341.06595	1.0
342.07263	2.1
343.08066	1.5
344.08871	6.8
345.09637	4.7
347.09036	0.9
349.03287	0.5
349.21576	1.4
350.07629	0.4
351.04877	0.9
353.06454	1.2
353.10303	0.8
354.07117	0.7
355.04382	1.1
355.08084	2.7
356.05182	1.1
357.05527	0.7
357.09668	8.7
358.10468	0.9
365.06360	1.6
365.10229	2.6
367.07986	0.7
367.22668	1.5
368.09009	0.5
369.09668	2.7
370.06631	0.6
371.07516	7.9
372.07767	0.5
375.08664	1.8
380.12555	0.7
381.09549	4.2
382.10233	0.6
383.11325	3.6
385.09268	1.4
387.10675	0.7
391.11557	0.6
393.09613	10.9
394.10037	0.9
395.15082	0.4
396.12076	0.6
397.12848	0.8
405.13174	0.5
407.11005	0.7
408.12006	1.1
411.10037	4.4
411.14810	1.4
413.15762	3.5
423.14328	9.9
423.25275	0.4
424.14761	0.8
426.12885	1.2
441.15387	100.0
441.26141	7.7
442.15704	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	441.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03435	2.5
59.04986	0.5
65.03910	0.5
65.12425	0.3
67.05504	0.3
69.03422	12.1
70.05831	1.1
71.51627	0.3
79.05452	0.4
82.98398	0.3
85.02890	5.7
85.06518	0.4
87.04455	4.2
91.05466	5.9
94.59833	0.3
97.02882	5.8
107.08626	0.4
113.35815	0.4
115.03912	3.4
119.04927	15.0
119.08606	0.3
121.10048	0.4
127.03890	2.2
133.04982	1.8
145.06528	0.4
147.04388	100.0
148.04729	1.5
165.05455	5.1
165.09088	1.4
167.03424	0.4
173.11102	0.4
175.07596	0.4
183.63745	0.3
244.15401	0.4
256.11517	0.8
261.07574	0.5
272.14789	0.8
291.08597	3.5
309.09662	3.4
315.13361	2.8
316.13672	5.4
441.13541	1.1
441.26065	0.6
468.24893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.154
Annotation	Pharacine
Peak:m/z	Relative Intensity
55.01868	0.9
55.05491	1.3
57.23965	0.4
60.13093	0.3
67.05505	2.8
69.07059	3.5
69.90925	2.3
79.05479	3.1
81.07038	2.9
83.04958	0.6
83.08598	0.7
85.02888	0.4
91.05468	1.4
93.07023	1.5
95.04928	0.8
95.08587	2.8
97.06516	10.0
97.10142	0.6
105.03354	0.6
105.07018	1.8
107.04958	1.2
107.08578	2.2
109.06549	0.5
109.10144	2.9
117.06988	1.8
119.08544	2.4
121.10148	1.6
123.08109	0.4
123.11686	0.9
129.06961	0.7
133.10110	2.5
135.04343	0.6
135.11670	1.5
137.09613	1.3
143.08543	0.6
144.05594	0.4
145.06516	0.6
145.10109	1.4
147.04349	0.4
147.11717	1.1
149.13252	1.0
153.01816	1.3
157.10106	0.8
159.11673	1.7
161.02379	0.4
161.13261	0.7
163.03886	2.6
165.09096	13.0
167.07144	1.0
171.11708	0.5
173.13190	0.9
175.07477	0.5
178.06223	7.9
179.06647	0.4
189.16324	0.5
191.17981	0.5
197.13303	0.5
199.14835	0.6
201.16353	1.7
203.03403	0.5
205.04904	0.6
213.05554	0.6
215.17987	1.1
216.04155	1.3
217.04895	0.8
229.04890	0.5
231.06566	1.4
241.04951	1.1
243.06483	1.0
244.03654	1.2
255.02850	8.3
257.08154	0.8
258.05167	0.5
259.05997	2.6
268.03711	0.6
269.04477	1.9
270.04935	0.4
271.02490	0.4
271.06006	0.5
272.03198	0.4
283.02277	1.1
283.06046	0.7
284.03448	0.6
284.06747	1.4
285.03928	1.0
285.07565	1.4
287.05457	6.0
297.03967	1.7
298.04538	0.7
299.05545	0.8
300.02603	2.7
301.07028	0.8
311.05466	1.0
312.06323	0.8
312.09750	0.7
313.07135	2.1
314.04141	0.5
315.04974	28.1
316.05276	1.4
325.03412	0.5
329.06451	1.8
330.07303	9.2
344.08792	4.2
345.09650	16.3
345.13913	0.8
346.09930	0.5
349.21970	0.4
365.10352	0.5
367.08115	0.5
383.11215	0.9
397.12656	1.2
409.12851	0.5
411.10706	22.3
412.11081	1.4
423.36206	1.8
426.13168	3.9
441.15402	100.0
442.15714	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	440.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05465	0.4
57.03411	1.2
64.34100	0.4
65.03935	0.4
67.05506	0.5
67.10571	0.4
69.03416	4.2
69.07049	1.5
69.76890	2.1
70.06528	0.5
73.73574	0.3
74.94940	0.3
79.05472	0.5
85.02912	1.9
87.04478	0.9
91.05463	1.6
95.04961	0.7
97.02881	2.0
97.06525	0.6
106.06548	1.8
108.04449	0.6
112.07627	0.4
115.03929	0.8
119.04916	4.3
122.05943	0.5
127.03912	1.0
133.04956	0.8
134.05984	0.7
140.07062	2.9
146.06036	0.4
147.04381	29.0
148.07576	2.9
160.07565	0.6
165.05466	1.7
166.36668	0.4
168.06534	2.5
170.09586	0.4
174.05402	1.0
174.09155	0.4
177.05423	0.5
198.09163	0.9
198.12738	0.7
199.08640	3.6
212.09392	0.6
213.10178	0.9
214.10983	1.3
215.11726	1.2
215.15346	0.6
224.10637	0.4
225.10187	3.2
226.08559	1.2
226.12360	0.7
227.08185	1.3
227.11739	2.0
228.13957	0.7
241.09669	0.6
242.10458	0.6
243.11227	1.2
243.14923	7.3
252.10146	0.6
255.11259	14.4
256.11722	0.8
269.12836	4.0
271.14371	10.8
291.08551	1.0
297.12268	5.5
309.09726	0.9
315.13333	100.0
316.13705	6.8
422.20917	2.9
440.21667	2.2
440.30438	0.4
452.52502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18952	1.1
52.27629	1.2
56.96555	13.7
69.03426	1.5
71.05010	3.4
84.96005	9.0
90.03583	1.1
94.86051	1.0
97.02876	1.2
98.97568	100.0
102.97063	1.2
110.97556	26.4
112.99107	1.7
116.98608	42.9
119.01917	1.3
124.99089	2.4
128.98587	27.8
131.00145	2.1
134.99640	11.5
138.05453	1.3
140.00162	2.0
140.98602	7.9
143.00137	14.8
146.99623	12.7
149.01140	1.7
152.98611	2.7
158.99635	33.7
161.01228	13.2
170.99646	26.9
173.01297	1.6
177.00677	37.2
182.99628	16.2
189.00677	29.4
195.01776	3.2
200.02153	1.3
201.00681	59.4
202.01007	1.2
207.01698	6.4
213.00693	3.2
219.01736	47.1
224.02289	1.3
231.01720	7.5
237.02811	19.0
243.01759	19.6
249.02927	2.4
255.03806	1.4
261.02786	93.9
273.02704	6.5
275.06052	1.4
279.03845	63.5
291.03827	21.2
291.06842	2.0
297.04877	3.2
302.05399	3.3
309.04733	3.0
321.04871	38.6
333.04950	6.2
351.05899	7.0
376.58524	1.2
381.06973	4.0
399.08090	2.3
441.08972	21.0
442.09912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31466	0.3
55.01862	1.9
63.32406	0.3
67.05472	0.4
69.03432	0.4
69.07053	1.6
70.90623	0.4
70.90977	0.8
79.05484	0.3
86.43826	0.3
86.66177	0.3
94.06566	0.4
95.04915	0.3
95.08596	0.6
96.04462	0.4
97.02869	0.4
97.06521	0.5
105.07017	0.6
108.04443	0.5
112.07609	0.5
115.14529	0.3
120.08092	0.6
122.05962	0.4
123.04346	0.4
124.07567	1.2
126.34970	0.3
133.10197	0.4
137.05899	0.6
140.07066	2.6
145.02875	0.3
145.10118	0.3
147.04379	0.8
148.07558	4.5
150.05434	0.4
160.07518	0.5
165.09061	0.3
168.06511	3.1
174.05499	0.9
174.09074	0.4
177.05415	0.7
198.09117	0.8
199.08646	3.7
210.09201	0.5
211.09990	0.4
212.09370	0.6
213.10139	1.1
214.11011	0.5
215.11742	1.2
224.10666	0.4
225.10178	3.8
226.08533	1.0
227.08212	1.7
227.11794	2.0
237.10226	0.4
241.09618	0.6
241.13205	0.7
242.10464	0.9
243.11212	1.1
251.11942	0.4
252.10112	0.7
255.11249	15.0
256.11630	0.8
269.12799	3.6
271.14392	1.2
278.05750	0.5
281.04395	0.5
287.13763	0.5
297.12296	5.6
306.05118	0.4
309.03769	0.3
315.13324	100.0
316.13672	7.7
324.06168	0.3
352.05774	0.4
367.08307	0.3
395.07495	3.6
423.07034	1.1
440.15585	0.4
440.21414	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.0
57.07082	2.7
57.84946	2.7
58.60555	2.2
58.78983	2.3
58.83506	2.2
62.39871	2.4
67.05495	9.1
69.07063	13.8
70.88651	6.0
70.88988	4.4
79.05502	6.8
81.07056	23.7
83.08607	4.9
89.05974	3.8
91.05485	6.2
93.07046	19.4
95.08589	43.4
97.10141	5.7
99.25831	3.1
102.02229	2.4
105.07005	19.7
107.08589	37.6
109.10146	26.0
117.06993	3.3
119.08561	33.7
121.06447	2.7
121.10133	30.5
123.11701	10.6
131.08572	3.4
133.10101	32.9
135.11678	22.2
145.10065	6.1
147.11678	27.5
149.13275	15.1
153.09113	4.3
159.11635	2.7
160.44838	2.8
161.13271	16.4
163.14813	7.7
167.10701	5.3
175.14767	13.0
177.16316	5.1
179.10532	2.8
189.16379	44.1
191.17918	67.2
199.14859	2.8
201.16391	10.2
203.17944	100.0
204.18329	3.6
205.19490	10.2
216.01843	2.7
217.19475	12.3
221.18979	4.8
231.17433	3.1
231.21071	3.0
235.16853	4.7
249.18507	18.5
257.22583	2.8
261.42789	2.6
343.86038	3.3
393.35190	6.2
439.35843	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	440.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30915	0.3
67.05490	0.8
68.14318	0.4
69.03398	0.4
70.06577	1.1
70.14273	0.4
70.14581	1.9
79.05495	0.7
81.07034	0.9
91.05424	0.7
93.07005	0.8
95.04969	0.4
96.84668	0.3
97.02855	0.6
97.06493	0.5
99.08081	0.5
105.07014	1.1
107.04939	1.4
107.08569	0.6
109.10126	0.3
119.08547	0.7
128.07080	0.4
135.04417	0.8
143.08582	0.7
145.10126	0.4
147.04381	0.5
147.11633	0.5
149.02327	0.6
154.08548	0.6
157.10173	0.5
165.09149	0.6
178.06310	0.5
189.01842	0.4
191.07051	0.4
205.03651	0.8
207.55710	0.4
209.04378	0.5
209.36880	0.4
216.04317	0.8
221.15437	0.4
232.13330	0.4
234.03949	3.3
248.05603	1.1
253.23367	0.4
274.07108	1.1
280.06320	0.4
290.57590	0.4
294.07599	1.1
297.95996	0.4
298.07098	0.5
304.06128	0.7
305.05331	1.3
307.06049	0.7
311.08090	0.8
322.06906	3.2
325.06934	0.5
332.05341	0.6
336.08670	1.2
339.07819	0.4
350.06619	2.1
351.07614	1.1
352.08240	1.6
353.06497	1.3
354.09702	1.8
360.05096	0.5
363.05029	0.5
364.08179	2.4
365.08926	0.5
368.07828	1.2
378.05798	2.2
379.06851	0.6
380.07465	0.6
381.05780	2.8
382.09396	2.5
392.07596	9.9
393.08493	2.1
395.06677	0.9
396.10849	0.6
396.28253	0.5
397.11807	0.5
408.11057	0.6
410.08652	46.3
411.09619	2.6
422.12573	0.9
424.10229	4.5
425.10818	3.0
440.13361	100.0
441.13611	4.4
452.43317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05502	10.7
57.07073	2.3
62.26197	0.9
65.03943	1.3
65.61145	0.8
67.05499	10.7
69.07057	17.3
69.42465	2.1
69.42860	8.5
70.71815	1.0
70.89759	0.7
71.08633	1.3
77.83631	1.0
79.05475	7.1
81.07048	25.1
83.08612	8.2
85.10179	0.9
91.05460	8.0
91.98820	0.9
93.07031	25.2
93.07588	1.6
95.04964	1.1
95.08593	54.0
96.08931	1.2
97.10163	5.3
98.21523	1.7
105.07015	25.2
107.08577	40.2
108.08931	2.0
109.10142	36.0
110.10453	1.0
111.08081	1.1
111.11707	2.0
117.07053	1.9
119.08566	46.3
120.08891	1.4
121.10128	33.0
123.11687	15.0
125.05949	1.0
131.08499	4.4
133.06810	0.8
133.08632	1.4
133.10114	33.2
135.11676	26.7
137.13240	7.3
139.07510	1.8
145.10101	8.0
147.11667	33.9
149.05826	0.8
149.13235	20.4
153.09079	6.1
157.10133	1.4
159.11636	7.4
160.12595	1.5
161.13234	23.2
163.14821	13.1
165.09137	1.1
165.29221	1.0
167.10663	2.7
171.11687	1.3
173.13310	4.0
174.14095	1.2
175.11192	1.5
175.14801	13.0
177.16331	9.8
179.10677	1.3
179.18004	1.0
181.12201	1.1
187.14824	4.4
189.16359	54.2
190.16762	3.3
191.17921	63.8
192.18309	2.5
193.12256	1.5
201.16345	14.8
203.17929	100.0
204.18335	4.2
205.19487	16.4
206.19836	1.1
207.14021	1.2
207.17537	2.8
213.16423	1.3
215.17958	4.5
217.19482	15.7
219.17502	1.1
219.21181	1.4
221.15500	1.8
221.19040	4.2
227.17990	2.0
229.19589	2.7
231.17438	1.5
231.21101	4.8
233.15332	1.1
235.16905	7.2
241.19586	1.8
243.21181	1.3
245.22745	3.7
247.16985	4.8
249.18462	15.5
255.21072	1.1
257.22733	2.1
261.18539	2.4
275.19992	1.4
315.23196	1.6
393.35037	10.0
421.34998	2.0
439.35864	31.4
440.36465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05495	10.7
59.01655	2.5
62.97750	2.6
65.30167	2.5
65.77966	3.4
67.05495	15.1
69.07055	11.3
79.05492	4.3
81.07052	26.1
91.05454	4.7
93.07040	10.8
95.08595	83.9
105.07019	7.9
107.08568	16.3
109.06513	5.8
109.10125	19.0
111.11731	3.2
119.08562	16.3
121.10134	13.3
123.08066	7.5
123.11682	5.0
131.08476	3.2
133.10086	15.3
135.08023	6.4
135.11667	13.1
137.13261	8.6
143.08652	6.3
145.10127	6.2
147.11726	9.2
149.09599	11.7
149.13239	6.8
159.08076	2.7
159.11693	6.4
163.11150	3.2
171.11742	3.8
173.09711	2.8
175.14844	5.5
187.14824	3.3
189.16347	7.8
197.13272	4.3
199.14877	2.9
203.18016	4.3
226.80614	4.0
327.26868	5.5
344.81143	2.7
403.33670	3.5
410.01736	3.2
421.34576	36.0
439.35703	100.0
440.36090	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	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.5
55.01869	9.4
55.05508	35.7
57.03428	12.6
57.07073	6.2
63.74984	4.6
65.03909	4.4
66.69782	5.0
67.05499	99.2
69.03419	35.1
69.07063	31.2
71.01350	5.9
71.04976	19.0
71.31981	12.0
79.05484	82.4
81.03399	39.4
81.07047	88.7
82.03687	4.8
82.47665	4.2
83.04974	22.8
83.08608	19.2
85.02900	67.4
87.04462	6.7
91.04929	8.5
91.05467	97.5
93.07035	100.0
95.04955	24.4
95.08592	67.3
97.02876	16.2
97.06558	9.8
97.10152	9.8
99.04443	4.4
105.07021	96.7
107.04957	5.8
107.08577	60.2
109.02845	9.2
109.06502	8.6
109.10133	46.4
111.04413	14.2
111.08092	5.1
113.93923	4.8
115.05431	5.9
117.06998	27.3
119.08563	78.2
121.06487	8.8
121.10143	44.4
123.11677	8.0
127.03886	11.9
128.06255	6.1
129.05440	5.4
129.06981	24.7
131.08548	48.0
133.06477	8.1
133.10112	60.2
135.08032	6.9
135.11681	57.0
137.09653	5.5
143.08549	22.4
145.06436	5.3
145.10101	45.3
147.08040	5.1
147.11646	48.6
149.02364	34.4
149.05975	5.9
149.09644	10.5
149.13225	26.9
150.02684	17.1
155.08557	7.3
157.10112	22.2
159.11655	44.2
161.09505	6.4
161.13199	29.8
163.14801	7.2
165.09024	6.1
168.25766	4.6
169.10086	10.0
171.11667	26.1
173.09631	5.4
173.13243	24.9
175.11136	10.1
175.14781	11.9
177.16316	4.9
181.10051	5.7
183.11639	10.9
185.13219	17.6
187.14792	10.5
193.04927	38.7
193.12227	10.0
194.05269	30.3
199.14821	9.6
201.12560	4.5
201.16362	6.8
203.14546	4.9
208.14084	4.8
209.13275	5.0
211.13188	9.4
211.14909	5.8
215.14369	6.0
231.21176	5.1
239.17848	6.4
241.19518	17.1
257.19052	10.2
259.20541	67.0
271.20599	8.3
275.20062	16.9
277.21579	14.8
287.20123	6.0
301.21655	16.6
313.21658	5.0
343.22629	6.5
367.22598	15.3
377.01538	4.7
385.23694	35.9
403.24777	41.0
421.25815	31.6
439.26962	16.5
439.36057	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	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.5
55.01869	9.4
55.05508	35.7
57.03428	12.6
57.07073	6.2
63.74984	4.6
65.03909	4.4
66.69782	5.0
67.05499	99.2
69.03419	35.1
69.07063	31.2
71.01350	5.9
71.04976	19.0
71.31981	12.0
79.05484	82.4
81.03399	39.4
81.07047	88.7
82.03687	4.8
82.47665	4.2
83.04974	22.8
83.08608	19.2
85.02900	67.4
87.04462	6.7
91.04929	8.5
91.05467	97.5
93.07035	100.0
95.04955	24.4
95.08592	67.3
97.02876	16.2
97.06558	9.8
97.10152	9.8
99.04443	4.4
105.07021	96.7
107.04957	5.8
107.08577	60.2
109.02845	9.2
109.06502	8.6
109.10133	46.4
111.04413	14.2
111.08092	5.1
113.93923	4.8
115.05431	5.9
117.06998	27.3
119.08563	78.2
121.06487	8.8
121.10143	44.4
123.11677	8.0
127.03886	11.9
128.06255	6.1
129.05440	5.4
129.06981	24.7
131.08548	48.0
133.06477	8.1
133.10112	60.2
135.08032	6.9
135.11681	57.0
137.09653	5.5
143.08549	22.4
145.06436	5.3
145.10101	45.3
147.08040	5.1
147.11646	48.6
149.02364	34.4
149.05975	5.9
149.09644	10.5
149.13225	26.9
150.02684	17.1
155.08557	7.3
157.10112	22.2
159.11655	44.2
161.09505	6.4
161.13199	29.8
163.14801	7.2
165.09024	6.1
168.25766	4.6
169.10086	10.0
171.11667	26.1
173.09631	5.4
173.13243	24.9
175.11136	10.1
175.14781	11.9
177.16316	4.9
181.10051	5.7
183.11639	10.9
185.13219	17.6
187.14792	10.5
193.04927	38.7
193.12227	10.0
194.05269	30.3
199.14821	9.6
201.12560	4.5
201.16362	6.8
203.14546	4.9
208.14084	4.8
209.13275	5.0
211.13188	9.4
211.14909	5.8
215.14369	6.0
231.21176	5.1
239.17848	6.4
241.19518	17.1
257.19052	10.2
259.20541	67.0
271.20599	8.3
275.20062	16.9
277.21579	14.8
287.20123	6.0
301.21655	16.6
313.21658	5.0
343.22629	6.5
367.22598	15.3
377.01538	4.7
385.23694	35.9
403.24777	41.0
421.25815	31.6
439.26962	16.5
439.36057	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	438.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28002	1.0
53.03923	1.2
55.01857	1.4
55.93303	1.1
57.03420	1.5
59.05004	1.6
62.06073	1.2
68.99758	1.9
69.03412	9.7
69.07062	1.4
70.06580	4.6
71.50090	1.9
73.88600	1.3
74.00432	1.1
79.05480	2.6
81.03396	1.7
81.07037	1.6
84.08140	1.6
85.02887	1.5
86.06061	17.2
87.04453	41.6
90.05531	2.1
91.05506	1.8
97.02887	2.4
97.06557	1.5
97.47811	1.4
104.07094	100.0
107.04928	1.4
109.02863	1.4
109.34808	1.2
115.05428	1.9
127.03835	1.2
129.06985	1.9
131.08495	1.5
133.02899	1.5
135.07993	1.5
136.06149	11.4
137.05991	3.3
141.06955	2.3
143.04910	2.4
145.06525	1.5
147.04414	2.2
148.05161	3.4
153.01802	3.3
153.07031	3.2
157.06462	1.4
159.08034	3.4
161.05937	7.9
165.06981	2.4
166.07788	2.1
167.08554	2.4
169.06439	2.6
171.08051	1.8
173.05959	16.7
175.07523	4.8
176.08318	1.7
177.05481	3.4
178.56281	1.4
179.08479	1.5
181.06458	3.0
181.10112	6.2
183.07939	2.5
185.05960	4.9
187.07520	10.2
188.08302	50.0
189.05449	2.3
190.09843	12.5
191.03244	1.4
191.08560	3.5
194.07257	1.5
195.08051	3.6
197.05911	2.8
197.09605	2.9
199.07442	2.1
200.08308	3.1
201.05389	1.9
201.09119	5.7
203.06990	2.3
205.06625	1.4
207.08018	3.3
209.09598	10.9
210.06679	1.9
211.07494	3.5
213.05490	3.9
213.09103	4.2
215.03337	2.3
215.07051	4.9
219.08025	2.5
223.03891	2.6
223.07472	2.9
225.05495	2.1
225.09064	14.7
227.06816	1.5
227.10594	9.3
229.04897	2.1
229.12311	3.0
235.07526	2.8
237.09131	12.4
239.07051	3.2
241.04953	4.2
241.08551	5.5
242.05682	1.6
243.06572	1.8
243.10187	1.4
253.08577	15.6
254.08997	1.5
255.10149	11.7
259.06067	3.6
259.09619	2.2
265.08606	10.9
267.06506	1.4
271.09705	7.1
272.10016	1.5
273.11179	9.0
281.05203	1.5
281.08093	18.4
282.08688	1.4
283.09613	52.2
284.09991	2.1
299.09100	7.0
299.12393	1.2
299.77539	1.4
301.10675	17.0
302.10724	1.7
317.10214	4.7
319.11771	11.2
335.11234	4.7
349.03821	3.0
396.18860	1.2
420.16397	1.9
438.13153	2.5
438.17993	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49068	2.9
52.54175	3.2
55.05502	7.0
57.07071	4.2
67.05497	19.1
69.07051	20.2
70.88983	6.4
79.05477	8.3
81.07045	34.1
83.05904	3.3
83.08593	7.9
91.05451	10.8
92.12480	3.0
93.07029	23.5
95.08591	64.6
97.10155	4.6
105.07027	23.2
107.08576	28.9
109.10139	30.3
117.07035	3.7
118.25394	2.9
119.08563	44.7
121.10118	23.5
123.11661	14.4
129.06993	5.6
131.08591	16.2
133.10117	30.1
135.11662	13.5
137.13205	8.3
142.07730	3.5
143.08540	7.1
145.10112	28.4
147.11649	17.7
149.13240	11.1
151.14784	6.5
157.10063	8.8
159.11658	17.1
161.13197	14.9
163.14803	12.7
169.10086	5.1
171.11656	11.7
173.13281	16.5
175.14810	18.0
177.16339	4.3
183.11836	3.1
185.13249	5.9
187.14790	8.2
189.16292	25.4
191.17891	12.0
199.14781	7.3
201.16360	35.4
203.17914	28.2
213.16347	11.7
215.17906	11.0
217.19426	5.9
223.14709	3.5
227.17894	4.4
229.19580	8.1
235.16695	3.2
239.17958	9.2
241.19482	14.8
243.21033	16.0
247.16849	5.0
255.21037	7.2
259.20529	3.4
273.18240	3.4
285.18466	6.0
295.24170	4.4
299.20071	4.2
309.90610	3.1
335.27005	3.6
353.25174	4.0
391.33575	20.9
437.34103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
53.08377	2.6
55.05503	3.0
60.04509	3.3
67.05505	4.0
67.17807	2.6
69.03416	16.0
69.67872	2.7
70.02934	3.7
70.06586	43.8
71.04978	11.0
71.62117	3.7
79.05474	5.2
81.03401	29.4
81.07059	4.8
83.04967	6.6
83.94524	2.7
84.04522	2.9
84.08138	10.1
85.02895	12.0
86.06067	14.6
86.09683	4.9
87.04465	27.9
90.05543	13.2
91.05463	8.6
95.04955	10.9
97.02886	7.6
97.06520	4.5
99.04432	3.8
99.60149	3.0
104.06458	4.7
104.07098	48.4
105.07011	7.0
107.04939	12.1
107.08588	11.7
108.05286	6.7
109.02866	14.8
111.04411	6.0
113.05992	3.7
116.03406	4.2
117.07034	3.4
119.08575	12.3
120.08078	3.7
121.02829	7.6
121.06472	3.5
122.02363	52.7
122.03149	4.8
123.08025	4.7
125.09617	4.6
127.03897	7.6
129.06964	4.3
131.04916	5.2
131.08531	6.2
135.08017	7.7
137.02341	6.4
137.05951	3.6
139.03909	5.4
140.03380	15.7
141.06961	2.9
143.04912	7.1
143.08548	4.0
145.06494	4.5
147.04408	3.3
147.07983	4.1
153.09082	3.3
155.08575	2.7
157.10020	3.0
159.07991	6.6
161.05949	13.5
163.07521	5.5
165.07065	3.9
166.07761	3.8
167.08536	7.0
171.07973	4.3
171.11707	3.9
173.05957	22.6
175.07536	16.1
177.05447	6.4
179.08549	6.3
181.06490	3.6
181.10086	9.3
183.07977	3.9
184.09773	3.5
185.05977	8.3
187.07480	17.6
188.03780	5.8
188.08302	41.0
189.09059	3.2
190.09897	30.0
190.94998	2.7
191.08585	5.4
194.07260	4.5
195.08051	7.3
197.05959	4.5
199.11165	7.5
200.08344	6.4
201.09102	19.8
203.07153	5.0
203.10695	5.3
204.10413	3.7
205.08456	3.2
207.08047	4.8
209.09645	21.7
211.07538	7.8
213.05409	8.8
213.09096	10.0
215.03441	4.3
217.04936	5.1
217.12250	5.1
219.08084	5.2
220.11710	12.5
223.03935	6.7
223.07501	4.9
224.08310	3.4
225.09035	23.1
226.06078	3.4
227.10608	27.2
228.10909	4.1
229.12241	9.7
235.07509	3.6
237.09047	21.8
239.07019	6.1
240.07423	9.1
241.04903	7.0
241.08524	11.5
245.11768	6.4
253.08572	24.3
255.10153	20.8
257.08063	6.0
258.08334	6.9
259.06003	11.0
262.10583	6.2
263.12820	20.3
265.08545	18.0
266.06708	7.4
271.09616	11.7
273.11200	16.4
281.07977	20.5
283.09619	100.0
284.10092	4.7
299.09192	10.4
301.10669	33.5
309.11957	5.1
317.10135	9.3
319.11774	24.5
394.14551	4.0
420.16449	11.5
438.17960	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.3
57.07047	9.2
65.03922	2.9
67.05492	29.1
69.07057	22.8
71.08615	3.9
71.39241	3.7
71.39564	5.0
79.05458	14.2
81.07045	57.0
83.08595	11.5
89.06019	6.3
89.14515	2.7
91.05470	9.1
93.07029	22.7
95.08586	77.6
97.10146	5.8
100.21550	2.8
105.07029	30.0
107.08576	31.2
109.10130	34.1
117.06992	7.0
119.08559	50.8
121.10126	30.3
123.08076	6.4
123.11707	22.8
125.09623	3.9
129.07022	3.7
131.08543	17.2
133.08545	4.2
133.10100	39.6
135.11656	22.1
136.07045	2.9
137.13217	11.9
143.08542	7.2
145.10080	36.2
147.11664	26.1
149.09529	2.7
149.13219	14.5
151.14822	7.0
157.10126	9.2
159.08018	3.0
159.11696	19.3
161.13242	18.3
162.57361	3.2
163.14822	11.9
169.10168	6.2
171.11665	14.7
173.13284	18.3
175.14812	25.5
177.16316	6.4
179.14183	3.5
183.11671	7.1
185.13254	7.0
187.14810	10.3
189.16345	27.4
191.17950	16.2
197.13181	3.2
199.14827	10.8
201.16313	35.7
203.17950	36.9
205.19756	2.7
211.14861	3.8
213.16371	12.1
215.17946	15.1
216.36743	3.0
217.19603	8.0
227.17747	4.1
229.19559	5.2
235.16844	4.4
239.17934	8.8
241.19490	23.8
243.21071	18.4
247.16925	8.3
253.19522	6.0
255.21170	9.8
267.21179	6.4
273.18527	4.2
275.19885	6.8
285.18484	9.0
287.19849	5.2
295.24396	3.8
299.19971	6.9
304.16647	2.8
313.21576	5.4
324.62582	3.0
345.27795	3.9
391.33582	27.8
437.34116	100.0
438.34286	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	437.1437
Annotation	Pterosupin
Peak:m/z	Relative Intensity
53.03928	0.7
55.01869	0.7
59.25937	0.3
61.02923	0.4
69.03425	0.4
70.18713	1.7
72.53067	0.4
79.05473	1.1
81.03408	0.8
85.02885	2.6
91.05467	3.0
95.04971	2.5
97.02883	0.8
103.03920	1.6
103.05467	0.4
105.03376	0.7
105.07015	0.3
107.04942	100.0
108.05257	1.7
119.04923	11.0
119.05723	0.7
121.02866	1.1
123.04414	2.1
131.04904	3.3
133.02859	1.3
133.06435	0.5
135.04366	2.4
137.02385	0.7
137.05954	0.8
145.06506	0.8
147.04395	8.7
149.02321	1.5
153.05482	0.8
157.06525	0.5
157.11060	0.3
159.04393	2.6
160.95790	0.4
161.02310	2.3
161.05992	0.8
163.03893	1.6
165.05489	0.9
165.06995	0.7
167.03430	1.5
173.02354	0.3
173.05978	0.6
175.03967	2.1
176.04579	0.5
177.05450	2.7
178.07719	0.4
179.03355	3.8
179.08557	0.8
187.03877	0.8
189.05412	0.9
193.04958	1.2
195.08060	0.7
197.09673	0.5
199.03922	0.4
201.05457	1.2
203.03394	2.2
207.08070	1.0
213.13675	0.4
215.03432	0.7
217.04962	1.1
223.07567	0.7
225.09068	1.9
233.04317	0.9
235.07593	0.6
239.06976	0.7
241.08592	2.8
245.04593	0.7
247.05978	0.8
249.09126	0.5
251.07039	1.0
253.08578	4.6
259.06058	0.7
263.07275	0.6
267.10172	0.9
269.08160	1.7
271.09564	4.8
281.08130	8.0
287.08990	0.6
293.08054	0.8
295.09683	4.5
299.09125	4.5
305.08124	0.5
307.09702	0.8
317.10175	2.1
319.09695	0.5
323.09116	3.8
335.09085	1.4
337.10651	1.5
341.10138	1.8
347.09354	0.7
353.10129	2.1
355.11777	1.0
365.10162	2.3
371.11240	0.5
383.11200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01857	1.1
56.96556	1.1
57.03423	0.6
59.59232	0.5
69.03410	0.6
70.06558	1.7
71.34525	1.3
73.02911	0.6
79.05471	1.2
81.03407	1.4
81.04521	1.6
85.02912	3.7
86.09727	0.7
88.34750	0.6
91.05463	4.4
93.07081	0.8
95.04329	0.5
95.04958	2.0
95.08537	0.6
97.02870	1.4
99.05537	0.7
103.03919	2.1
107.04939	100.0
108.05282	1.8
109.02831	0.7
119.04930	10.9
120.08085	1.6
121.02850	1.7
123.04400	3.0
124.03950	0.7
124.07539	0.6
127.03913	0.6
131.04938	3.2
133.02863	1.1
133.06535	0.7
135.04404	3.3
137.02374	0.7
137.05969	1.7
145.06432	1.1
147.04370	11.0
149.02296	1.3
149.05984	0.8
151.03929	0.9
151.07550	0.6
152.07080	0.6
153.05467	1.2
159.04395	2.6
161.02312	1.9
163.03876	2.3
165.05522	1.0
167.03387	2.1
167.07072	0.7
172.09956	0.5
173.05954	0.8
175.03883	2.2
177.05452	3.6
179.03391	3.6
182.07227	0.6
183.06471	0.6
187.03902	1.3
189.05487	0.8
191.03447	0.7
193.04977	1.1
195.07991	0.7
201.05432	1.1
203.03384	1.9
207.08089	1.3
215.03455	1.0
217.04846	0.7
225.09123	1.8
226.06026	0.6
233.04489	1.0
235.07657	0.6
239.02165	1.0
239.07053	1.6
241.08424	2.5
245.04382	1.2
247.06068	0.6
249.09396	0.6
251.07085	1.2
253.08540	5.4
255.59120	0.5
261.07327	1.3
263.07266	1.2
265.08691	1.0
269.08109	1.9
271.09647	5.1
275.13794	0.7
281.08090	7.6
291.10687	0.8
295.09604	4.3
296.11234	0.9
299.09122	3.9
305.08157	0.7
307.09439	0.6
317.10211	2.2
319.09552	1.0
323.08987	3.6
335.09067	1.0
337.10733	1.3
341.10138	1.7
347.09116	1.0
353.10321	1.4
364.19669	0.5
365.10034	3.0
383.11136	0.8
401.12189	0.7
413.07504	0.8
437.10382	7.8
437.15366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
57.07064	5.9
58.06566	2.1
67.05471	1.5
70.05603	2.1
70.06582	19.9
71.08617	3.2
79.05473	1.1
81.07036	1.0
85.10159	0.7
88.07618	21.8
91.05460	0.7
95.04940	1.2
98.20695	1.0
102.09165	15.8
103.01809	4.1
109.10116	0.7
111.04398	0.8
120.02051	0.6
135.04405	4.6
148.81497	0.7
153.05447	3.7
163.03877	88.8
163.04977	5.0
164.04213	1.3
167.01575	0.6
201.16086	0.6
207.06500	99.4
208.06860	1.6
256.26324	61.8
257.26660	2.1
311.53156	0.6
436.30539	100.0
437.31036	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	437.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19384	0.4
53.03929	0.8
55.01857	0.8
57.03421	1.1
61.02905	0.6
61.46691	0.4
65.03927	0.6
66.49207	0.5
67.05511	0.6
69.03419	1.3
69.07066	0.4
70.06573	1.2
70.90991	0.7
70.91342	1.0
72.08125	0.5
73.02897	0.8
78.78516	0.4
79.05464	1.7
81.03390	1.1
81.07058	0.7
84.04501	0.7
84.08131	0.5
85.02890	3.6
87.05601	0.6
91.05454	3.3
95.01309	0.6
95.04960	3.1
97.02884	1.5
102.93520	0.5
103.03939	1.2
105.03385	1.0
105.07020	0.6
107.04937	100.0
108.05286	2.0
115.05455	0.5
119.04926	5.1
120.08090	1.1
121.02848	2.3
121.06522	0.6
123.04402	5.1
124.07565	0.6
128.04218	0.4
131.04919	1.7
133.02846	0.7
135.04384	2.2
136.07582	0.5
137.02359	0.7
137.05959	3.0
145.06470	0.6
147.04411	3.5
149.02327	1.9
149.05925	0.5
151.03906	0.8
159.04408	1.5
161.02306	3.9
161.05962	0.9
163.03871	1.8
165.06902	0.4
167.03372	3.5
173.02373	1.0
173.05916	0.6
175.03879	3.7
177.05444	1.6
179.03372	6.6
180.33594	0.5
182.07141	0.5
183.08070	0.6
185.05922	0.5
187.03928	0.9
189.05438	1.0
191.03297	1.1
193.04942	1.8
197.06102	0.5
199.03859	0.9
201.05441	0.6
201.09062	1.3
203.03357	3.9
205.04967	0.7
207.08185	0.6
211.07608	0.5
213.05440	0.9
215.03445	0.8
217.04845	2.1
223.07468	1.4
229.04831	0.7
233.04404	1.9
239.06940	1.1
241.08548	1.7
245.04398	1.7
247.06027	1.2
253.08511	1.7
257.08017	1.1
259.06009	1.1
263.05328	2.5
265.08609	0.7
269.08109	2.3
271.09579	1.4
281.08472	2.5
293.08206	1.0
295.09567	1.7
299.09116	10.3
307.09491	1.2
311.09155	0.8
317.10153	1.7
323.09085	6.3
335.09045	3.0
341.10205	1.1
353.10266	3.3
365.10120	1.7
371.11163	0.8
383.11432	1.3
401.12469	0.7
437.10568	0.6
437.16263	1.9
438.17590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.8
53.03936	2.7
54.12684	0.6
55.01877	1.2
57.03435	1.8
69.03421	8.2
70.06596	3.3
70.26329	2.5
71.05006	0.9
72.14787	0.5
73.02905	1.2
78.03446	15.4
78.03880	1.2
79.05497	0.6
80.05015	2.2
81.03414	13.8
81.07029	0.6
84.08142	0.8
85.02901	9.8
86.06066	0.6
87.04479	1.0
95.04955	2.3
96.04488	6.3
97.02872	5.9
98.06051	0.6
99.04464	2.9
104.07135	0.8
106.02903	62.5
107.03224	0.8
107.04953	2.4
109.02861	10.4
114.05524	0.8
119.04919	0.6
119.05978	0.7
121.37061	0.5
122.02400	0.5
123.04417	5.1
124.03939	100.0
125.04283	2.0
127.03898	6.6
137.02293	0.6
137.06000	1.0
145.04953	1.3
147.04369	1.2
148.04776	0.6
151.03842	3.1
163.03854	0.6
166.04967	1.7
172.08646	0.6
177.05501	0.8
198.06404	0.6
202.04904	0.7
208.05948	0.9
208.97818	0.6
216.09995	0.5
232.05869	0.8
240.10071	0.8
243.08655	2.3
250.07082	26.7
251.07251	1.3
268.08124	34.7
269.08221	1.5
284.06818	0.6
315.13354	1.5
326.13794	0.8
372.14261	0.8
377.14200	2.5
390.11435	0.9
411.52234	0.7
418.10889	8.5
418.15317	0.8
419.11438	0.7
436.11963	19.8
437.10464	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.04960	1.3
61.02913	3.8
63.02731	1.0
69.03413	6.5
69.80612	6.0
70.06585	1.4
71.04986	3.1
79.05510	1.2
80.03853	0.9
81.03397	1.9
81.04530	25.2
81.07032	5.8
83.06108	1.4
85.02892	7.8
87.04459	1.0
95.06077	17.5
97.02883	4.6
102.33529	1.2
107.04922	1.8
109.02858	1.8
123.04418	3.7
124.03917	1.8
125.04234	1.2
125.06187	1.9
125.07096	33.7
127.03902	12.3
143.08131	32.1
163.12253	5.0
178.23164	0.8
188.35510	1.0
193.13364	2.1
200.15504	0.9
221.04395	1.0
223.14407	6.9
239.05312	1.5
241.15413	28.1
255.16971	1.8
269.08148	1.7
273.18039	100.0
274.18359	3.3
289.08743	1.1
435.23331	62.8
436.23495	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03941	3.7
55.01866	2.2
55.05506	14.3
57.03425	2.7
57.07071	1.2
59.04745	0.6
59.04992	3.7
65.03931	4.1
67.05496	100.0
68.05826	0.9
69.03428	1.4
69.07061	8.8
69.57000	2.2
69.57436	3.9
71.04986	3.0
73.06537	0.9
73.88842	0.7
79.05484	36.3
80.05790	0.8
81.03422	4.4
81.07044	29.7
83.04966	5.5
83.08609	7.0
85.02880	0.7
85.06544	2.5
86.82802	0.7
87.04471	0.9
90.38696	0.7
91.05468	31.1
93.07033	26.1
95.04951	11.0
95.08591	15.3
97.06514	2.9
97.10168	1.4
99.08008	0.8
105.07019	18.2
107.04936	4.2
107.08581	10.6
109.06499	3.7
109.10143	53.7
111.08075	3.5
113.05955	0.7
115.05491	0.8
117.07016	5.4
119.08573	14.8
121.06499	2.0
121.10136	3.1
123.08064	3.0
125.09655	0.9
127.07580	0.7
128.06242	1.0
129.06992	6.7
131.08569	2.4
133.06516	0.9
133.10110	6.0
135.08075	1.3
135.11665	0.8
137.09604	2.8
142.07803	0.7
143.08549	4.3
145.10089	3.9
147.08069	2.2
147.11679	14.7
155.10683	2.6
159.11710	1.0
161.09621	2.2
161.13229	5.5
167.08467	0.9
171.11667	15.3
171.13072	1.2
173.11731	12.9
173.13133	0.9
179.08392	0.9
189.12743	5.5
207.13785	13.0
225.14735	1.5
302.41400	0.7
343.22522	0.8
379.54083	0.7
435.21420	1.6
435.27374	33.2
436.27747	2.9
454.90659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50428	0.3
53.03938	0.6
55.01858	0.8
55.05494	0.7
57.03425	1.7
60.64538	0.3
65.03932	0.7
66.04713	0.5
67.05510	2.4
68.99788	0.8
69.03419	4.1
69.07049	0.4
69.58302	0.3
70.08769	1.4
70.16962	0.3
75.04491	0.3
75.48002	0.3
77.03934	0.3
79.05473	4.1
81.07056	1.8
85.02890	2.2
87.04459	1.9
91.05463	4.8
93.07030	1.7
94.04170	0.9
95.04942	2.8
95.08598	0.5
97.02879	1.7
97.06538	1.1
98.20848	0.5
101.51991	0.3
104.38343	0.3
105.03361	0.4
105.07012	1.1
107.04936	1.1
107.08582	0.6
108.05713	4.4
109.02778	0.4
109.06503	7.4
109.10124	0.4
111.08075	0.7
115.03928	1.7
119.08596	0.5
120.05759	0.3
121.06487	2.1
121.10142	0.4
122.07304	0.4
123.04410	47.9
124.04692	0.4
124.05234	0.5
125.05944	0.9
133.04987	0.8
133.06447	0.7
133.10147	0.5
135.04414	2.2
135.08066	0.3
137.05954	7.9
138.06717	1.2
139.07518	4.9
143.06949	0.3
147.04439	0.5
149.05959	7.7
149.13376	0.4
151.07533	0.4
153.09077	3.1
155.07014	3.6
165.05473	1.8
165.09105	1.4
167.07013	100.0
168.07367	2.5
179.07004	0.6
181.08572	22.4
182.08984	0.6
191.06906	0.6
193.08585	3.4
209.08046	2.1
212.12685	0.3
223.09575	0.5
289.11938	0.3
299.11340	0.6
303.12222	29.1
304.12466	1.6
315.12292	1.8
327.12476	0.4
345.13388	1.7
435.10593	0.8
435.16269	7.3
435.21542	0.8
435.26678	0.6
436.16501	0.7
437.54370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
57.03433	0.8
61.02894	1.2
69.03413	2.5
69.48629	1.8
69.49028	6.2
69.70846	0.7
70.06558	0.9
71.04983	6.3
73.02916	0.8
81.03387	1.0
81.04528	9.7
81.07043	1.5
83.06077	0.7
85.02906	9.4
95.06087	5.6
97.02881	2.0
103.44532	0.7
107.04931	1.7
109.02838	1.3
112.98876	0.7
123.04402	1.0
124.03967	0.9
125.07105	13.2
127.03903	100.0
128.04192	2.0
130.61221	0.7
143.08150	12.3
162.78331	0.9
163.12283	1.5
168.42513	0.8
175.68875	0.7
184.11812	0.7
223.14424	3.0
241.15398	10.5
273.18051	30.3
289.09116	5.3
417.45355	0.9
435.23386	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	435.1281
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.76346	1.0
54.26685	1.0
55.01859	2.6
57.03432	9.4
65.03928	1.3
67.05513	1.2
68.99783	3.5
69.03416	2.4
69.30580	10.8
70.06584	3.9
79.05471	2.0
81.03404	4.1
81.07025	1.1
84.08122	1.8
85.02902	20.7
91.05474	1.5
95.04948	4.6
97.02871	5.0
97.06506	1.4
98.20755	2.1
98.76070	1.3
103.03941	1.2
104.56808	1.2
107.01285	1.7
107.04936	4.2
109.02887	5.9
111.00771	1.6
112.53004	1.1
119.04931	5.0
121.02853	27.1
121.06525	2.0
121.10155	1.1
123.04408	6.8
124.03844	1.3
125.02338	3.7
127.03844	1.6
135.04477	2.6
137.02330	3.8
137.65906	1.3
141.01793	2.6
147.04390	18.5
149.02312	3.8
151.03775	1.5
153.01801	6.8
153.39299	1.0
163.03903	7.6
165.01814	43.1
166.02167	1.1
167.03395	2.6
167.06906	1.6
171.02885	3.9
175.03958	2.4
177.01807	16.8
177.05544	1.4
179.03372	4.3
181.05019	2.3
183.02878	21.2
189.01796	5.6
189.05394	1.8
191.03378	24.9
193.01341	1.7
195.02869	100.0
196.03056	1.8
203.03409	4.2
205.04927	2.7
207.02881	2.7
209.04456	2.5
215.03389	2.6
219.02863	40.5
220.03217	1.3
231.02887	30.3
233.04434	4.7
237.03944	2.1
243.02858	8.7
249.03931	12.7
261.03925	24.0
267.06104	1.1
271.06006	4.6
272.06320	3.5
273.06854	10.2
273.12363	2.0
279.04950	6.0
285.07535	37.6
297.07642	16.6
303.04993	13.7
315.05002	1.9
315.08578	12.9
315.66983	1.1
339.08588	30.7
348.34070	1.3
351.08618	20.7
363.08670	9.4
369.09586	1.8
381.09525	9.1
399.10690	8.0
431.45621	1.3
435.22168	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	435.1282
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
53.03924	2.2
53.28906	1.5
55.01860	5.0
57.03418	4.2
69.03418	5.1
70.06582	2.5
70.71140	2.1
79.05469	1.8
81.03398	3.8
84.08140	2.9
85.02892	9.2
91.05466	4.2
95.04957	2.8
97.02867	6.0
98.74240	1.4
103.03925	4.9
107.04943	100.0
108.05233	1.6
115.05424	3.1
119.04948	3.6
121.02859	20.7
121.10170	1.6
123.04409	12.8
124.03919	2.3
127.03905	9.1
128.04256	1.6
129.04440	1.4
131.04901	3.8
133.02869	2.2
133.06485	2.1
135.04405	11.9
137.02364	1.7
141.06949	1.8
145.02815	1.9
147.04375	6.5
149.02303	4.7
149.05959	2.3
150.05467	5.1
153.06992	2.2
155.08548	2.0
157.06454	2.8
161.02332	4.4
163.03888	6.6
165.06932	7.7
167.03352	3.9
167.07254	2.0
167.08524	9.2
169.06465	2.2
175.03900	3.2
177.05550	3.0
177.07001	6.6
179.03394	5.2
179.08542	2.7
181.06468	4.2
182.07172	2.6
183.08025	4.8
185.05945	2.0
185.09644	2.0
189.05553	1.9
191.03465	2.0
193.06392	2.7
194.07303	3.1
195.02858	2.2
195.08041	18.2
197.05992	5.5
199.07431	2.1
203.03352	4.8
205.06516	2.3
205.09985	1.5
207.08122	2.9
210.06740	3.4
211.07529	18.6
213.09081	6.5
215.08517	2.3
219.08063	2.1
223.07518	73.3
224.07832	3.4
225.05460	12.4
225.09058	3.2
226.06184	10.0
227.06898	2.7
236.08336	6.4
237.09047	6.0
239.07004	90.9
240.07500	2.9
241.08575	50.6
241.11002	3.3
242.08907	1.9
249.09052	1.9
251.07016	14.8
251.10661	6.0
252.07631	1.6
253.08705	3.1
255.06546	1.5
257.07983	3.5
261.09085	3.2
263.07025	4.8
265.08582	29.0
267.06384	10.0
268.07214	3.5
269.08072	72.9
270.08401	2.6
275.06671	1.7
277.08676	1.9
279.06427	5.5
279.10123	2.2
285.07547	2.7
287.09137	8.2
289.08569	4.4
293.08060	44.2
295.09357	2.3
297.07571	42.9
301.77631	1.6
302.21658	2.1
305.08084	3.7
307.09613	6.5
311.09030	5.6
315.04941	1.9
315.08521	4.0
317.08041	2.1
321.07507	9.3
323.09109	38.1
325.10782	2.6
335.09137	18.6
336.09479	2.1
339.08548	4.1
351.08661	6.1
353.10095	20.8
354.11108	1.9
363.08551	2.4
364.97629	1.5
371.11230	19.1
381.09747	2.6
389.07169	2.8
389.12262	58.8
399.10767	3.2
417.11935	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01866	4.3
61.02922	4.4
67.05499	3.1
67.25002	2.2
69.03425	5.0
70.06580	7.0
71.65694	3.3
72.16594	1.9
79.05489	6.8
81.03407	2.9
81.04525	7.1
81.59044	2.1
84.04511	2.3
84.08134	7.7
85.02889	12.7
85.07629	3.5
86.09695	3.4
91.05495	4.5
95.04939	6.3
97.02884	8.9
103.03906	4.2
103.05480	4.0
104.57296	2.2
107.04950	12.3
111.04447	3.7
115.05459	3.2
119.04913	5.1
121.02860	7.3
122.66940	2.0
123.04419	7.3
127.03910	18.5
127.04819	3.6
128.04227	4.1
129.04330	2.3
129.05489	5.3
129.10213	2.9
131.04912	3.7
133.02838	2.3
135.04393	56.5
137.05994	11.9
139.03819	4.3
145.02870	5.3
145.04916	2.7
145.06471	2.5
147.04408	12.0
149.05898	2.7
151.03874	13.1
153.06941	6.1
155.08519	2.6
159.04361	4.3
161.02357	6.1
161.05978	4.5
163.02708	2.9
163.03850	16.3
169.06459	3.6
171.04420	5.7
173.02301	17.2
173.06041	3.0
177.05518	3.7
179.03383	13.6
179.45352	2.1
181.06410	13.5
185.06058	2.5
186.03036	5.3
187.03905	14.8
189.05519	2.7
191.03380	56.2
195.08003	6.4
197.05966	10.0
198.06818	5.6
199.07521	2.5
203.07007	6.1
209.05972	10.2
210.06815	3.4
211.07552	4.2
213.09126	2.4
215.03366	22.9
217.05043	3.5
223.07526	5.1
225.05365	11.2
226.06094	4.6
227.07005	5.9
229.08653	3.1
237.05463	3.9
239.07021	8.1
240.07724	4.4
241.08554	6.1
242.05699	3.1
243.06415	5.5
245.04303	4.3
245.08090	16.0
253.05078	3.3
253.08534	2.8
255.06476	4.2
257.04395	2.3
257.05356	3.4
257.08044	37.5
265.04926	2.8
269.08020	17.3
271.09607	4.8
273.11597	4.0
281.08398	2.9
283.05984	3.4
283.09485	5.5
285.07474	23.2
287.09091	100.0
288.09488	6.7
293.07822	3.2
297.07559	17.7
297.10928	4.3
309.07608	3.7
311.09109	36.6
312.09189	3.0
315.08585	66.2
316.08942	5.0
323.09143	6.9
325.10910	2.6
335.09274	3.6
339.08585	23.8
341.10202	18.4
351.08524	2.6
353.10242	25.4
369.09723	13.1
371.11191	13.9
381.09552	5.8
389.12225	18.9
399.10727	3.7
407.81906	2.2
435.13013	5.4
435.18463	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	435.0917
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.05501	0.5
57.03428	0.6
58.07317	0.5
61.02900	1.2
68.99790	0.5
69.03409	1.7
69.07059	0.5
70.94392	1.3
71.04956	0.5
73.02911	13.1
81.03400	0.6
85.02895	0.9
91.05451	0.7
95.04922	0.9
95.08559	0.5
97.02877	1.3
97.69029	0.5
105.06988	0.7
109.02850	1.1
111.00783	1.3
115.03912	1.0
121.02834	2.1
123.04379	1.2
133.10092	1.8
137.02333	4.2
137.05934	1.4
153.01819	4.5
161.05934	0.5
163.03906	0.9
165.01814	2.0
167.07077	0.9
173.06073	0.7
177.05461	0.6
179.03430	0.8
181.05002	0.7
183.02975	0.7
187.03838	0.6
197.06085	0.5
199.59743	0.5
201.05479	2.4
219.06430	0.6
229.04842	4.3
237.18546	0.6
247.06013	1.1
257.04462	2.4
274.04697	0.6
285.03897	1.0
303.04959	100.0
304.05307	4.7
315.05142	0.6
417.15314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0915
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01883	0.4
55.13146	0.3
57.03437	2.1
62.31360	0.4
65.03933	0.5
67.65352	0.3
68.99786	1.2
69.03103	0.4
69.03427	5.1
69.24944	2.8
69.25369	1.2
72.56837	0.3
75.04491	0.3
81.03387	0.6
85.02907	3.9
87.04456	3.2
95.04930	0.9
97.02882	3.2
107.04958	0.4
109.02872	0.8
111.00787	1.3
115.03957	2.7
119.04945	0.4
121.02850	2.8
123.04408	0.6
133.04942	2.7
137.02328	4.4
147.04398	1.1
149.02328	0.9
153.01822	5.1
155.04956	0.4
161.05978	0.4
163.03914	1.8
165.01813	4.6
173.05966	0.8
177.01833	1.1
179.03334	0.5
181.04861	0.5
183.02914	2.8
187.03865	0.8
189.01767	0.5
191.03381	1.9
195.02861	5.7
201.05411	1.9
207.02911	0.4
209.82727	0.4
213.36368	0.3
215.03502	0.6
219.02870	2.3
229.04932	6.5
231.02808	1.7
239.03633	0.3
247.06038	0.8
249.03700	0.8
257.04401	3.2
261.03925	1.9
274.04764	1.1
275.05524	0.4
285.03897	1.7
285.07532	2.7
294.98843	0.3
297.07651	0.8
299.05240	0.5
302.04132	0.6
303.04959	100.0
304.05261	4.1
315.05020	5.0
315.08673	0.5
316.05640	0.6
327.04922	1.1
338.91342	0.4
339.08679	1.9
345.06009	5.6
351.08551	1.0
353.06137	0.5
363.08807	0.4
369.05734	0.4
381.09735	0.7
387.07089	0.4
399.06985	0.9
417.08011	0.5
435.09143	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	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01855	1.3
57.03410	0.6
61.02906	1.9
65.03911	0.6
68.99792	0.8
69.03432	0.7
70.88956	0.9
70.89301	0.5
71.01356	0.5
73.02907	11.5
79.05472	0.6
81.03398	0.6
85.02888	0.9
95.04948	0.5
97.02890	0.7
99.01452	0.4
107.04888	0.5
109.02859	1.2
111.00777	0.6
115.03900	0.8
117.06955	0.4
121.02856	1.7
123.04357	0.5
131.04939	0.5
137.02328	7.2
138.28514	0.4
141.06943	0.5
145.06418	0.5
147.04472	0.7
149.02325	0.8
153.01807	4.4
161.06027	0.5
163.03880	1.0
165.01836	2.3
167.07007	1.7
173.05945	0.9
179.03391	0.7
181.04915	2.1
183.02902	1.1
183.04326	0.6
187.03853	0.6
187.07541	0.9
191.03415	0.7
191.21516	0.4
195.02951	0.7
196.61102	0.4
201.05490	1.8
203.03377	0.5
206.51627	0.4
213.05460	0.7
219.02914	0.4
229.04973	4.9
229.08559	0.7
231.02892	0.4
233.08022	2.0
245.04469	0.6
247.05862	0.7
255.06560	0.5
257.04456	3.4
273.11215	1.3
274.04837	0.7
274.26990	0.5
275.17133	0.5
281.38513	0.4
285.03909	1.8
299.05347	1.3
302.04190	1.3
303.04959	100.0
304.05429	3.0
315.04953	11.5
315.08542	0.8
316.05676	1.6
327.04916	1.7
329.06543	1.4
339.04825	1.0
341.06567	1.9
345.05991	7.2
346.06244	0.5
351.51804	0.6
353.06519	1.7
357.06079	1.4
369.05969	6.2
370.06177	0.5
375.07059	0.9
381.05896	2.4
399.07086	10.3
400.07587	0.6
409.77094	0.4
417.08044	4.6
417.14664	1.0
435.09229	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	435.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
57.03416	1.4
58.63755	0.3
65.03922	0.4
67.05478	0.7
67.13997	0.2
68.99786	0.7
69.03419	3.4
69.07054	0.4
70.06565	1.2
71.04972	0.4
74.06052	0.3
79.05473	0.5
81.03408	0.3
81.04509	0.8
81.07046	0.4
84.08141	0.6
85.02886	3.1
85.06542	0.3
85.07670	0.4
86.09699	0.4
87.04449	2.3
91.05421	0.6
93.03386	0.4
93.07027	0.7
95.04947	0.7
95.08604	0.6
96.98584	0.3
97.02885	2.7
97.06512	0.5
103.05409	0.3
105.06985	0.6
107.08580	0.6
109.02859	0.5
111.00769	1.0
115.03924	1.9
121.02844	1.6
123.04396	0.7
125.09569	0.7
127.03957	0.3
127.05018	1.4
129.34750	0.3
133.04933	1.0
133.10112	0.4
135.04393	0.4
135.11618	0.3
136.07637	0.3
137.02306	5.5
137.03345	0.5
137.05904	0.5
145.02882	0.4
145.10066	0.3
149.02306	0.7
151.03839	0.5
152.45638	0.3
153.01814	4.9
161.02316	0.3
161.05949	0.4
163.03912	0.7
165.01831	2.8
173.05937	0.5
177.05449	0.7
179.93071	0.3
183.02876	1.1
183.04321	0.4
187.03822	0.4
188.03610	0.3
195.02879	0.4
201.05441	2.2
213.11192	0.3
215.03201	0.3
219.02910	0.4
219.06567	0.3
229.04938	5.9
247.05896	0.8
257.04428	2.8
274.04651	1.6
275.05453	0.4
285.03973	1.3
299.05551	0.9
302.04138	0.8
303.04944	100.0
304.05286	2.8
315.04910	6.7
316.05640	0.8
327.04980	2.0
345.05960	6.7
346.06451	0.3
353.06662	0.5
369.06033	0.7
381.06021	0.5
387.06952	1.3
399.06888	1.1
417.08087	0.9
435.09180	7.2
435.17462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2343
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03912	2.9
55.05502	15.7
57.03442	12.6
57.07071	4.9
59.56966	2.9
67.05499	71.0
69.07056	16.1
69.38612	17.0
69.39039	11.4
75.04456	2.8
79.05485	34.5
81.07048	78.9
83.04940	2.5
83.08598	12.9
85.06544	2.3
91.05457	27.5
93.07036	48.6
95.04943	5.2
95.08592	66.0
97.06535	5.5
97.10155	3.5
98.98454	99.6
105.07009	20.5
107.08584	32.4
109.06541	3.9
109.10138	29.9
109.21726	2.7
117.07014	6.5
119.08565	18.6
121.10150	26.7
123.11717	13.5
131.08568	15.4
133.10149	18.0
135.11682	21.5
135.56471	2.9
137.13269	3.9
145.10115	16.9
147.11661	10.1
149.13226	15.4
155.01022	10.4
155.08556	2.9
159.11684	12.2
161.13249	8.8
163.11290	3.4
163.14726	5.4
169.10165	3.4
173.02103	18.0
173.13261	12.0
175.14740	3.6
187.14824	5.3
243.21071	20.7
261.22107	59.5
317.24628	9.7
335.25732	100.0
336.26288	4.3
341.24710	3.1
364.55237	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	433.1852
Annotation	(8R,8'R,9'S)-5-Methoxyclusin
Peak:m/z	Relative Intensity
53.03935	4.8
55.01866	8.2
55.05502	24.9
57.03426	12.3
61.65522	3.5
67.05492	24.8
69.07054	16.7
71.63705	5.5
79.05486	34.6
81.03423	8.7
81.07045	27.6
83.04967	11.4
83.08621	8.3
85.06548	8.3
86.21194	4.5
91.05470	34.8
93.07036	41.5
95.04948	15.8
95.08602	26.4
97.02888	4.8
97.06508	16.8
97.10167	7.9
103.05463	6.6
103.92039	4.9
105.07033	23.5
107.04948	11.2
107.08578	31.0
109.06513	8.0
109.10151	10.9
111.04509	4.6
111.08054	11.4
114.19056	4.4
115.05450	4.7
117.06988	18.0
119.08564	19.1
121.06515	11.1
121.10129	19.4
123.04415	16.4
123.08002	5.1
125.09654	5.9
129.07001	8.9
131.04942	8.7
131.08539	22.0
133.06529	4.0
133.10118	13.1
135.08029	12.5
135.11725	7.0
137.05992	6.3
143.08655	5.1
145.06471	10.8
145.10155	6.5
147.04398	17.0
147.07961	5.6
147.11644	8.7
149.02373	4.4
149.09619	17.1
149.13269	17.6
159.08005	6.5
159.11667	18.6
159.87915	4.4
160.05238	5.8
161.05919	4.6
161.09544	4.5
161.13301	5.4
163.03923	13.1
163.07530	9.6
163.11226	5.7
172.69603	4.4
175.03912	11.2
175.07529	50.4
175.11137	5.0
177.05458	42.8
177.09157	4.8
177.12770	30.6
178.13521	15.2
179.14256	20.5
185.13333	5.1
186.57048	4.4
187.03880	17.8
189.05457	16.5
189.09143	6.9
189.11159	4.6
191.03366	18.0
193.04918	9.9
203.03380	61.0
203.07095	7.5
205.08617	10.2
207.02783	8.3
215.07057	6.9
216.04158	5.2
217.08600	8.9
219.02939	5.8
219.10133	28.2
221.04434	6.9
229.08591	18.8
231.02870	29.8
231.06462	8.2
243.33638	5.1
245.08055	65.8
249.03876	25.3
255.06560	6.7
263.09064	10.1
267.05072	8.1
273.07590	26.3
291.08594	26.5
295.08087	7.3
308.29153	5.2
327.08826	5.6
341.21106	7.2
343.19235	6.2
353.17410	6.7
369.16962	100.0
379.15317	10.4
384.56659	4.8
397.16434	12.5
407.25031	4.5
415.17407	18.9
433.25830	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	433.1123
Annotation	Kaempferol-3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
57.03421	3.6
69.03416	2.0
69.83337	7.2
70.06603	1.3
71.04986	25.0
79.84661	0.9
81.03411	1.0
85.02391	1.9
85.02891	24.0
87.04430	1.3
98.21415	2.0
107.04938	1.4
109.02851	1.2
121.02846	4.4
124.03974	1.5
127.03862	1.2
129.05467	5.6
135.11388	1.0
137.02283	2.0
145.02834	2.4
146.03169	1.3
147.04327	1.1
153.01820	4.9
165.01776	2.7
169.06520	1.3
177.05374	2.9
178.05788	2.3
181.04965	1.1
183.02959	1.3
213.05490	1.8
258.05124	1.2
267.06473	1.1
271.05948	9.3
283.06003	6.5
287.05472	100.0
288.05768	2.9
299.05478	3.0
301.06961	1.7
313.07043	4.9
329.06522	4.4
337.06967	2.3
349.07147	1.0
379.08087	2.7
397.09103	3.5
433.10736	1.6
433.16107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1336
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03926	1.0
55.01851	0.4
57.03411	0.3
69.03416	2.0
70.67899	0.6
70.68259	0.4
71.04992	0.3
73.02908	0.7
76.47794	0.2
81.03408	2.6
85.02390	0.3
85.02895	5.4
97.02879	4.3
99.04443	4.5
103.03931	4.7
109.02863	3.4
119.51081	0.2
127.03899	100.0
128.04250	1.1
133.50574	0.3
145.04926	3.8
155.48700	0.2
163.05966	0.6
169.04909	0.3
181.04915	0.4
187.06018	0.9
221.08107	0.3
271.08115	0.5
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	SCHEMBL1689483
Peak:m/z	Relative Intensity
55.01847	0.5
55.05491	0.9
57.03433	8.4
64.16413	0.5
67.05480	1.0
68.81217	0.5
68.99786	1.0
69.03427	3.0
69.07047	1.0
71.04973	2.0
71.63577	0.4
71.64024	0.7
73.02904	2.5
75.04469	22.4
79.05460	0.9
81.03407	0.8
81.07034	1.7
83.04954	0.8
85.02893	4.2
90.79668	0.5
91.05455	1.0
93.07043	0.8
95.04964	1.0
95.08617	1.1
97.02872	1.4
97.06503	1.1
103.05405	0.5
105.03378	0.6
105.07029	0.8
107.04946	1.5
109.02859	0.6
109.10161	0.8
111.00764	0.9
111.04430	1.0
118.72215	0.6
119.04938	0.7
119.08556	0.8
121.02853	6.8
121.10120	1.0
123.04403	2.2
127.03908	2.8
137.02321	1.7
137.06001	1.1
141.06981	0.7
145.10126	0.6
145.81567	0.6
147.04361	1.8
149.02180	0.5
149.13277	0.6
153.01802	3.1
157.06438	0.5
161.05975	1.2
163.03857	0.9
165.01802	2.1
171.04436	0.6
172.05243	0.5
177.05406	0.8
181.04919	1.9
183.02821	1.2
190.33307	0.5
193.16408	0.5
197.06049	0.5
213.05406	1.8
215.03290	0.6
229.04887	0.7
231.06387	0.7
241.04767	0.9
257.49228	0.6
258.05246	1.6
259.05817	0.7
271.06073	0.7
271.09464	0.7
272.06848	0.6
283.06024	1.1
286.04520	0.9
287.05466	100.0
288.05823	2.2
297.07574	0.9
299.05460	7.4
300.06189	1.9
311.05524	1.7
313.07053	2.4
323.09094	0.5
325.07080	3.1
329.06509	9.9
330.06812	0.7
339.05063	1.1
341.06662	1.1
351.08557	1.6
353.06509	6.3
359.07596	1.0
369.09766	0.7
379.07993	2.4
387.10428	0.6
397.09146	9.8
401.17496	1.0
415.10013	6.0
433.11075	5.8
433.24722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01867	1.6
55.70639	1.2
57.03413	1.9
69.03413	3.0
69.34522	12.0
73.02928	1.1
81.03396	1.3
84.08128	2.5
85.02883	2.8
86.09693	1.3
97.02873	2.4
109.08086	1.2
119.04929	4.5
121.02851	10.3
127.03943	1.6
135.04352	1.3
137.02324	2.1
145.02841	4.3
163.03880	4.4
165.01791	13.6
167.03374	3.5
177.01807	2.0
181.04900	1.7
183.02873	5.8
187.03966	1.7
195.02869	1.4
201.05525	2.7
205.04883	1.8
207.02850	1.4
213.05533	1.7
215.06914	1.5
229.04944	1.6
239.07030	1.7
249.03633	1.3
255.06593	2.1
256.07294	3.9
261.03922	1.8
262.34424	1.2
267.06613	6.5
270.05176	2.5
271.05975	30.6
272.06479	1.5
281.08057	8.1
283.05991	100.0
284.06638	15.8
295.05997	13.4
295.09329	2.2
297.07526	6.5
305.07947	2.7
307.05978	2.9
308.06577	1.7
309.04080	2.5
309.07501	19.9
313.07037	76.9
314.07394	3.5
321.07648	3.3
323.09097	16.3
333.07623	2.2
337.07007	37.9
338.07422	2.0
349.06985	9.8
351.08527	2.7
361.07065	8.6
367.08072	17.7
379.08124	16.3
397.09134	21.1
415.10153	18.1
432.00198	1.4
433.11328	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01855	3.0
57.03423	1.1
61.02900	1.0
61.21084	0.7
64.51603	0.7
65.03921	2.4
66.23967	0.7
67.05495	1.2
68.99792	4.4
69.03412	2.7
69.59768	2.7
69.60193	4.1
70.06574	1.4
71.04980	0.8
79.01861	0.9
79.05468	3.6
81.03416	4.7
84.08130	2.0
85.02895	7.6
86.09674	0.9
89.03898	2.7
91.05452	3.9
91.46784	0.8
93.03362	1.7
94.75903	0.7
95.01349	1.3
95.04961	10.5
95.56609	0.7
97.02862	4.2
98.20795	1.4
103.03914	2.4
105.03422	1.3
107.04935	3.3
109.02869	7.4
111.00787	0.9
111.04406	1.4
115.57095	0.7
117.03366	3.3
119.04932	4.1
121.02851	24.8
123.00713	0.9
123.04415	11.7
127.03931	3.8
127.66762	0.8
131.04929	1.2
133.02827	1.4
135.04396	14.2
137.02330	5.4
137.05960	2.4
139.03807	0.8
141.01787	2.3
141.05444	0.9
145.02766	6.2
147.04367	9.1
148.04741	3.6
149.02293	3.4
149.06039	1.1
151.03877	3.6
153.01782	7.1
159.04413	1.6
160.61197	0.7
161.02275	1.1
163.03883	56.9
164.04247	0.8
165.01813	52.5
166.02158	1.2
167.03366	1.4
175.03822	3.8
177.01808	27.9
177.05452	2.3
178.99809	1.1
179.03360	3.0
181.04955	2.0
183.02878	34.1
184.03226	0.9
185.05946	0.8
187.03859	2.9
189.01785	8.2
191.03365	60.5
192.03734	1.6
193.01340	1.9
193.05026	1.2
195.02878	9.9
197.00752	2.2
199.03891	1.2
203.03349	6.7
205.04919	4.8
207.02846	8.4
209.00858	2.1
209.04465	5.9
215.03406	4.2
217.01311	3.1
217.04895	0.9
219.02859	100.0
220.03259	3.1
221.04402	1.1
221.08182	0.7
231.02855	35.7
233.04434	5.5
237.03845	3.0
239.10320	1.0
243.02887	10.7
243.06563	1.2
249.03902	17.3
261.03918	39.4
262.04288	1.2
271.05972	26.3
279.04977	8.6
283.05945	2.8
284.06680	1.4
287.05341	4.4
289.07104	1.8
295.06018	1.4
297.05930	4.7
301.07022	45.8
302.07181	0.9
309.07605	0.8
313.07013	31.6
325.07080	2.0
327.04907	1.0
327.08572	1.2
337.07086	1.9
353.06247	0.9
355.08081	58.8
356.08310	3.2
367.08084	30.0
368.08511	1.3
371.11249	1.1
379.08093	10.1
385.09097	3.8
397.09116	14.2
415.10132	14.0
433.11105	7.2
433.16724	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.23346	0.1
53.03930	0.4
55.01856	0.3
57.03413	0.5
61.02623	0.2
61.02921	3.3
65.03918	0.4
67.05494	0.2
68.99785	0.3
69.03421	1.5
70.06559	0.5
71.04968	0.4
72.08151	0.3
73.02903	0.7
73.93661	0.2
79.05476	0.6
81.03406	1.1
81.07036	0.2
84.04461	0.2
84.08152	0.4
85.02385	0.2
85.02894	2.9
86.00636	0.4
86.09705	0.3
91.03925	1.5
91.05429	0.2
93.07031	0.2
95.04946	0.4
95.08549	0.2
95.12907	0.1
97.02879	1.9
97.06498	0.2
99.04430	0.6
105.03355	0.5
105.07021	0.3
107.04914	0.9
107.08588	0.2
108.02118	0.1
109.02872	1.1
111.04408	0.3
115.05530	0.2
118.06521	0.2
119.04933	0.2
119.08525	0.2
121.02847	4.5
123.04430	0.2
127.03916	0.8
133.02798	0.6
133.06567	0.2
133.10066	0.2
135.04424	0.3
137.02319	5.0
137.05971	0.2
141.06943	0.5
145.02800	0.2
145.04997	0.3
145.06415	0.2
145.07635	0.2
146.08894	0.1
147.04375	0.4
147.09134	0.3
147.11693	0.2
149.02324	1.8
156.08411	0.7
159.08063	0.1
161.02385	0.2
161.05901	0.4
167.03334	0.5
167.07022	0.4
169.06476	0.8
173.07112	0.3
175.08673	0.3
179.03328	0.2
181.04951	2.1
181.06424	0.3
187.07468	0.3
191.08144	3.9
193.08566	0.3
197.05933	2.3
200.04704	0.2
201.05513	0.2
213.05371	0.2
215.06950	1.3
218.23827	0.2
219.02768	0.2
221.04567	0.2
221.08070	0.5
225.05380	1.0
242.05737	0.8
242.08417	0.2
243.06454	0.5
249.07692	0.2
253.04863	0.4
256.07669	0.1
270.05118	0.2
271.05969	100.0
272.06332	3.5
283.05954	0.5
289.11734	0.4
301.07138	0.2
307.12817	1.3
313.07083	0.5
323.09012	0.2
330.10007	0.6
337.06857	0.2
371.11411	0.2
378.29459	0.2
397.08942	0.2
403.13901	0.9
415.09750	0.3
415.14673	0.4
421.12369	0.1
433.10712	0.4
433.16281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46851	1.0
55.05494	1.6
64.16257	1.2
67.05494	4.2
67.65979	1.2
69.07067	2.5
69.24362	1.0
71.60635	1.7
79.05461	1.8
81.07062	2.6
95.08601	5.9
105.07008	1.3
107.04952	4.3
109.10117	1.6
121.06572	1.0
122.07276	8.0
123.08077	8.4
135.08017	1.9
138.06726	1.6
145.10124	1.6
146.94359	1.1
150.06731	17.4
151.07523	100.0
152.08310	6.7
163.11096	1.2
164.08319	2.4
173.09677	1.3
175.07484	1.8
177.09206	1.5
189.09081	1.8
191.10637	14.4
249.00771	1.1
256.45297	1.3
414.34872	83.0
415.35397	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05748	2.2
53.03935	6.8
55.01861	3.1
55.05499	5.3
56.05029	24.4
57.03423	5.4
58.06581	6.8
61.02903	3.4
67.05495	11.0
69.03428	19.5
69.07050	11.6
70.06586	13.3
70.50926	10.2
71.04984	8.5
74.06070	5.5
79.05470	6.5
81.03406	9.9
81.07040	8.0
81.83253	2.8
82.06611	4.8
82.07054	2.6
83.04961	4.6
83.08604	2.8
84.08129	5.3
85.02899	28.5
85.06503	3.4
86.06079	4.6
86.09687	7.6
87.04475	2.8
91.05472	10.6
93.07037	19.1
94.06541	3.4
95.04962	8.1
95.08607	19.4
96.08114	9.3
96.09002	2.5
97.02879	15.4
97.06499	6.7
98.06059	2.7
98.09612	2.8
99.04450	19.0
105.07022	20.7
107.08565	23.7
108.08158	12.1
109.02856	4.3
109.06518	7.7
109.10136	7.6
110.05998	3.2
110.09683	13.8
111.04417	5.3
111.08051	5.7
117.03374	2.7
117.07014	3.8
119.08576	29.9
121.02850	4.8
121.06534	3.5
121.10118	20.5
122.09659	3.6
123.04454	3.9
123.08045	5.6
123.11641	4.0
124.11223	3.2
126.05494	5.8
127.03918	10.3
131.08537	9.5
133.10117	38.5
134.09601	6.0
135.04393	4.0
135.08038	3.8
135.11688	13.7
137.05962	22.8
137.09619	8.0
138.06306	12.3
139.03871	4.7
145.02864	4.0
145.10138	7.4
147.04416	5.9
147.11627	8.1
149.13219	4.3
153.09143	3.2
157.10181	2.8
158.10901	2.4
159.11687	13.1
161.13280	4.7
161.43701	2.4
163.03925	9.4
165.01892	11.6
173.13237	9.9
174.12944	3.8
175.14809	17.2
176.14345	3.4
177.01779	5.2
177.05510	12.9
178.05785	7.0
183.02914	6.5
186.07596	5.9
189.16394	2.6
191.03424	13.5
191.14281	3.7
193.15952	6.1
203.03554	2.7
204.08658	31.7
207.13919	3.7
208.16954	5.7
216.17491	8.8
217.15912	6.1
219.02892	18.7
231.02942	7.4
234.18510	33.7
235.16951	8.0
236.20087	6.7
252.19565	64.8
261.03973	7.9
270.17468	3.3
270.20609	69.8
271.05960	22.2
271.21002	2.7
301.07156	9.5
313.07016	10.1
355.07928	15.2
367.08191	7.5
370.75250	2.7
379.08182	5.5
396.11682	3.4
396.23749	6.5
397.09128	8.7
414.24811	100.0
415.10172	6.0
415.25192	2.9
432.16910	3.9
432.25909	85.3
433.10864	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
55.01864	2.6
57.03428	14.6
61.02912	11.3
67.05483	6.6
69.03426	25.1
69.07053	4.1
69.59846	15.0
69.60265	5.6
70.06585	34.5
71.04971	3.8
72.08140	7.3
73.02895	5.1
75.04465	32.4
77.03921	2.3
79.05457	3.4
81.03400	7.3
81.07040	7.7
83.04956	8.1
84.04501	2.1
84.08130	4.2
85.02888	95.0
85.06516	8.0
86.09686	12.3
91.03932	5.5
91.05469	8.0
93.07036	16.6
95.04972	2.9
95.08579	3.8
97.02877	29.4
97.06520	12.6
98.97543	3.4
99.04442	7.7
103.03954	4.3
105.07008	5.0
107.04951	6.3
107.08588	7.4
109.02856	7.5
109.06490	3.9
111.08059	3.5
117.06925	2.8
119.04928	6.6
119.08574	7.4
121.06463	4.6
121.10131	6.2
123.08007	2.5
127.03896	25.0
131.08528	3.8
135.04358	2.5
135.08061	5.5
137.02383	2.6
137.05934	21.7
137.09621	3.5
138.06247	2.8
142.09366	2.8
145.04921	47.3
145.10075	4.2
147.04390	21.8
149.05972	4.4
149.09592	12.5
151.03886	2.9
157.10004	3.5
159.11676	7.3
163.05984	16.7
168.10992	2.3
173.09549	3.2
175.11160	5.5
177.05460	7.0
177.12715	100.0
182.78516	2.5
187.14807	4.2
193.12103	2.4
215.14275	24.3
225.09125	3.1
233.15276	29.1
233.16963	2.7
235.07561	3.3
237.05582	2.9
240.11351	5.3
251.16235	13.9
269.17422	4.7
279.06497	4.0
281.04541	2.7
281.07706	4.0
284.13818	4.0
297.07578	6.7
311.05719	3.6
311.08905	4.0
321.07471	4.2
345.09943	2.7
349.06842	3.3
367.08093	6.1
417.84811	2.6
431.09607	8.5
431.22891	12.1
432.16684	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	432.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83709	0.2
51.02372	0.3
51.18616	0.2
53.03930	0.4
55.05499	0.2
55.05872	0.2
57.03410	0.3
61.02914	0.2
68.15819	0.2
69.03437	1.1
69.62029	0.9
69.62463	0.7
70.06568	0.8
71.04974	0.2
72.08140	1.1
78.03445	1.1
79.05461	0.3
80.05012	0.3
81.03403	0.9
82.53154	0.2
84.08145	0.6
85.02907	1.9
86.09697	0.9
95.04930	0.3
96.04466	0.3
96.08151	0.2
97.02880	100.0
98.03197	1.1
98.09667	0.3
98.21423	0.4
99.04427	1.0
103.03922	0.9
106.02899	4.3
107.04945	2.5
109.02130	0.2
109.02847	1.0
110.06071	0.2
116.07053	0.6
118.72194	0.2
121.02870	0.4
123.04465	0.4
124.03948	7.0
127.03898	25.3
135.04413	0.3
137.02299	0.2
138.05452	0.2
138.47865	0.2
138.99500	0.2
139.03912	0.2
145.04968	0.7
147.04414	0.7
161.06046	0.3
163.06100	0.3
165.01849	0.8
167.07071	0.4
170.05937	0.2
173.02342	0.5
177.01869	0.5
177.05476	0.7
179.03387	0.2
183.02904	0.5
188.04411	0.2
190.02800	0.2
191.03372	0.3
200.13937	0.6
215.90758	0.2
216.06628	0.2
219.02837	0.7
220.06017	21.2
221.06339	0.4
228.13350	0.3
231.02834	0.5
233.04689	0.3
234.07520	0.4
238.07066	3.6
239.07072	0.3
249.03954	0.4
253.08525	0.3
256.07980	0.9
261.03949	0.3
270.09729	0.4
281.08096	0.5
295.06216	0.3
301.06992	1.0
309.07510	0.7
313.07077	0.4
337.07092	0.4
351.08432	0.4
355.08240	0.8
367.08276	0.3
379.08102	0.3
400.12338	4.2
432.15445	0.7
458.89218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1695
Annotation	Tenellic acid C
Peak:m/z	Relative Intensity
52.29342	0.8
54.00768	0.9
55.01873	1.5
56.42890	1.0
57.03431	0.9
67.05482	2.7
69.03400	1.3
69.07052	3.1
69.91925	5.6
79.05486	7.4
81.07046	1.4
91.05440	3.3
93.07047	1.7
95.04938	2.6
95.08578	1.1
97.06517	30.1
105.07016	2.7
107.04945	1.5
119.08554	7.3
121.06376	1.2
121.10140	0.9
129.07004	1.3
131.04868	1.1
135.04416	1.6
135.08017	1.2
145.06488	1.3
147.08009	1.5
149.05946	2.6
150.03117	2.1
151.07509	2.4
153.01823	3.8
153.05478	1.4
153.06935	1.4
159.04387	1.4
161.05972	1.8
161.43164	1.0
163.03871	2.3
167.06998	2.3
169.06540	1.0
175.03854	1.2
175.07544	3.0
177.05438	2.3
178.06210	8.0
178.07393	0.9
179.07019	3.4
181.08583	3.0
183.08125	1.6
191.07047	1.4
195.08147	1.5
197.05983	1.1
201.09119	2.8
205.04945	3.1
209.09702	1.3
211.07507	1.7
212.08331	1.2
213.05292	1.0
216.04132	2.9
219.10139	1.3
223.07472	1.1
225.05469	1.3
225.09108	2.4
229.04813	1.1
231.02928	2.1
235.07481	1.3
241.04887	1.5
241.08536	1.7
242.05566	1.6
243.06531	1.1
244.03676	1.5
246.08812	1.3
249.09033	1.3
251.07034	3.4
253.08669	2.7
253.12093	1.6
255.10255	1.6
259.06104	2.3
267.10022	2.4
269.08109	4.2
271.06018	2.1
273.07593	4.4
274.08304	1.5
277.08704	1.2
279.06705	1.0
281.11661	1.2
283.06226	2.2
283.09674	2.8
284.03168	1.3
284.13934	1.2
285.07538	1.7
285.11182	1.7
287.05396	1.6
293.08124	1.5
295.09723	2.7
297.07632	1.3
297.14847	3.2
298.08401	2.4
298.11832	1.3
299.05649	1.0
299.09088	3.5
301.10776	1.3
302.04266	4.4
309.11044	2.6
311.05786	1.9
311.09079	15.1
313.06934	3.8
313.10648	3.6
313.14145	1.5
315.04831	1.1
323.12616	2.2
325.07242	1.7
325.10791	1.8
325.14307	1.6
326.11359	8.2
327.12180	4.6
329.10254	3.0
337.10645	4.1
339.12103	1.1
339.15958	1.3
341.09875	1.4
341.13815	19.8
342.14490	4.7
349.14377	1.2
353.13989	1.4
355.11737	4.4
357.13391	2.9
365.10431	1.5
367.15353	7.8
369.13290	3.1
369.17313	1.6
370.14133	1.9
377.13889	1.4
383.11301	2.9
385.16409	21.9
385.21136	1.9
395.14880	3.6
398.13800	1.3
404.04584	1.2
413.11984	21.5
413.15991	49.4
414.16278	4.0
431.16989	100.0
432.17395	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	431.1697
Annotation	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01859	1.3
64.33118	0.7
67.05482	1.9
69.03411	0.9
69.07043	2.6
71.04948	0.7
79.05482	5.1
81.07047	1.6
91.05472	4.3
93.07045	1.4
95.04939	1.6
97.02856	0.7
97.06521	28.4
103.05458	0.8
105.07001	1.4
107.04972	1.9
107.08553	1.2
117.06982	1.2
117.80341	0.7
119.08587	6.0
121.06510	0.9
121.10065	0.9
123.04402	0.8
133.06502	1.5
135.04413	1.5
135.08083	1.6
147.07951	1.0
149.05957	2.3
151.07524	3.1
153.01822	1.5
153.05426	1.6
153.06905	0.7
158.07263	0.9
161.05936	1.0
163.03879	1.9
165.07127	0.7
165.09048	0.9
167.07135	1.7
167.08528	0.7
168.07823	1.0
168.37523	0.7
175.03842	1.1
175.07509	2.1
177.05463	1.3
178.06242	8.9
179.06917	3.4
181.08601	3.2
183.08131	0.8
185.06029	1.1
187.07576	0.9
188.08313	0.7
191.03438	1.2
191.07005	0.8
192.07710	0.9
193.04854	1.0
195.06485	1.0
195.08101	1.1
199.07478	1.3
201.05441	0.8
201.09084	2.7
203.07141	1.0
205.04929	2.1
216.04166	0.7
217.08546	1.0
221.09732	0.8
223.07521	0.9
223.11090	0.9
225.09131	2.3
227.10776	0.8
241.04878	1.7
241.08611	1.0
245.08073	0.9
246.08835	1.4
249.09004	0.8
251.07039	1.9
253.08604	2.0
253.12463	0.9
255.06648	1.0
255.10042	1.3
257.04401	1.0
259.06055	1.0
265.08624	1.4
266.09210	0.8
267.06561	1.0
267.10095	1.5
269.08215	1.3
271.09674	1.7
273.07599	5.6
279.06396	1.0
281.08157	1.7
281.11569	0.9
283.05945	2.9
283.09628	2.7
284.14099	0.7
285.07568	1.2
287.05615	1.1
289.10681	1.7
293.11615	1.4
295.09622	2.4
297.07516	1.5
297.14856	2.0
298.08252	1.6
298.11572	1.0
299.05661	1.2
299.09103	2.5
301.10721	1.3
302.04297	1.1
309.07950	1.0
309.11240	2.5
311.09140	13.4
311.12677	0.7
312.09457	1.4
313.06937	2.0
313.10681	3.8
313.14392	1.9
315.05148	1.3
319.09665	0.8
321.14801	0.9
323.09109	1.4
323.12827	1.6
325.07037	1.4
325.10675	1.2
325.14282	1.3
326.11353	7.4
327.12256	4.3
329.10248	1.9
337.10690	3.0
339.12067	1.4
339.15915	1.0
341.10202	1.6
341.13797	18.0
342.14499	2.9
343.11581	1.4
351.12259	1.3
353.13809	1.7
355.11804	4.4
357.13297	3.0
365.10367	1.1
367.15332	7.3
369.09344	1.2
369.13281	3.9
369.17151	1.6
370.13986	2.4
371.11194	0.9
377.13748	1.2
383.11197	3.8
385.16412	21.3
386.16623	1.5
395.14850	3.0
398.13785	1.3
413.16327	54.4
414.16235	2.7
431.16989	100.0
432.17310	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	431.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
56.38499	1.2
57.03425	1.9
67.05492	5.3
69.07071	10.1
69.67922	7.0
69.68335	2.3
70.71220	1.2
75.04760	1.1
79.05481	21.1
80.06250	1.4
81.03411	2.4
81.07041	3.0
83.04980	2.7
91.05459	7.5
93.07032	3.1
94.07790	1.3
95.04949	5.3
96.09840	1.3
97.06519	100.0
98.06833	2.0
98.20723	2.4
103.05447	1.3
105.07034	3.9
107.34670	1.2
119.04944	1.3
119.08562	2.0
120.90685	1.3
123.04413	2.0
129.06992	2.1
131.04942	1.8
131.08487	2.1
133.10103	3.9
141.06961	1.8
143.08543	1.6
145.06453	1.9
147.11720	2.0
153.01807	5.0
153.06955	2.3
155.08485	1.7
157.06415	1.7
167.08540	3.5
169.06464	2.0
169.10092	1.4
171.07954	2.2
173.05907	3.7
173.09639	2.0
175.03879	1.5
175.11151	1.9
179.08566	3.9
181.06433	2.5
183.07997	4.2
184.05269	1.3
185.05937	4.3
185.09543	1.9
187.07524	3.5
188.08224	1.5
189.05264	1.7
191.03471	1.5
194.07271	1.6
195.08015	3.6
197.05922	2.5
197.09564	3.6
198.06667	1.6
199.07507	7.9
199.11249	2.5
201.09050	16.8
205.59900	1.5
207.08014	3.2
209.09586	5.9
211.07513	7.4
212.08186	1.5
213.09015	3.8
216.04190	2.9
219.10072	2.5
223.07610	2.1
224.08427	2.1
225.09050	11.3
226.09851	1.4
227.03661	1.7
227.06982	4.9
227.10684	3.1
229.08684	1.7
231.02905	2.6
233.09625	1.6
235.07397	2.8
237.09087	3.2
239.10507	2.2
241.08640	2.7
241.12187	1.9
244.03609	2.7
245.04301	2.9
251.07007	1.5
251.10606	2.2
253.08594	8.1
253.12140	2.3
255.02937	1.7
255.06453	1.8
255.10136	2.0
255.13770	3.8
257.04379	3.5
259.05975	2.5
267.10117	2.7
269.08041	4.4
269.15353	1.9
270.08798	1.3
271.05945	4.1
271.09579	5.2
272.03198	1.7
279.13788	4.5
281.08054	2.7
283.05997	2.7
285.07156	1.4
285.11218	1.9
287.05493	3.6
289.07211	2.0
290.07306	1.4
293.15277	3.4
297.07587	2.2
297.14868	8.8
299.05658	2.0
299.09009	3.2
302.04144	4.7
303.13736	2.1
307.13318	1.7
311.09076	1.6
313.06805	4.0
315.05048	2.3
317.10068	2.0
321.14841	5.2
323.12766	6.4
323.16354	2.3
325.14255	4.9
339.15894	3.1
341.13806	1.6
341.17496	4.7
349.14404	6.1
351.15897	1.8
353.13751	3.3
367.15366	18.3
371.14987	1.6
377.13849	7.3
385.16428	5.2
395.14886	11.5
413.11807	50.4
414.12384	3.5
431.17148	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	431.1332
Annotation	3-Hydroxy-4'-methoxyflavone 3-glucoside
Peak:m/z	Relative Intensity
51.20864	0.2
55.01872	0.2
55.05485	0.6
64.92196	0.2
67.05483	0.5
69.07037	0.5
70.06565	0.3
70.14041	0.7
70.14460	0.4
72.30022	0.2
75.49268	0.2
75.96942	0.2
79.05474	0.6
81.03384	0.2
81.07025	0.5
84.08133	3.5
91.05457	0.3
93.07027	0.3
97.02856	0.2
97.06503	1.4
105.07005	0.2
107.04932	1.3
107.08591	0.2
109.06509	0.2
118.04152	2.5
119.08566	0.2
123.04432	0.3
129.07057	0.2
131.04935	0.3
133.02846	0.2
133.06438	0.5
137.02347	1.2
153.01846	0.2
153.06979	0.5
154.02557	1.0
163.03804	0.4
164.07048	0.3
165.06938	0.4
167.08528	0.4
173.05957	0.4
181.06454	1.0
182.07248	0.6
183.08084	0.3
185.06021	0.2
185.09589	0.3
187.07552	0.3
188.08250	0.3
195.08011	0.7
197.05952	1.9
198.06761	1.2
199.07532	0.9
201.05447	0.2
201.09068	0.2
209.05952	0.3
210.06694	0.3
211.07527	1.9
213.05791	0.2
213.09081	5.8
219.08058	0.3
223.07469	0.6
225.05441	0.6
225.09093	0.5
226.06215	3.2
227.06958	0.3
229.04771	0.2
235.00606	0.2
235.07318	0.2
237.05428	4.8
237.08957	0.2
238.05746	0.2
239.06990	0.6
241.08488	0.4
253.04915	3.6
253.12256	0.5
254.05701	5.5
255.06352	0.6
256.14511	0.3
257.04486	0.3
265.08508	0.3
269.08051	100.0
270.08389	3.4
275.14084	0.2
283.06000	0.6
284.14041	0.5
285.03995	0.3
300.05762	0.2
302.15182	0.3
303.13660	0.4
317.06570	1.4
321.14874	1.0
323.12775	0.4
323.16351	0.3
339.15875	1.4
341.17615	0.3
349.14331	0.7
350.26910	0.3
367.15253	1.3
377.13708	0.6
385.16034	0.3
395.14886	1.4
413.15747	0.6
413.30072	0.7
431.17377	0.4
431.30942	0.3
443.32230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.52648	0.6
53.77735	0.6
55.05497	3.8
57.06805	1.1
57.07070	17.2
65.59929	0.6
65.79566	0.5
67.05490	4.7
69.07059	4.4
71.08627	12.7
79.05450	1.6
81.07051	6.9
83.04954	0.8
83.08608	2.8
85.10181	5.2
91.05466	2.6
93.07020	2.5
95.08591	6.8
97.10135	1.8
98.21454	1.5
105.07016	1.8
107.08582	5.8
109.06483	0.7
109.10149	6.1
111.04458	0.9
111.11751	0.9
117.07071	0.7
119.08566	3.8
121.06474	0.9
121.10136	3.5
122.07272	1.2
123.08003	0.6
123.11691	1.6
131.08572	2.4
133.10124	1.6
135.08040	4.7
135.11670	2.3
135.12639	0.6
137.09608	11.4
139.07527	1.7
145.10110	1.8
147.11630	1.1
149.08488	1.1
149.09595	15.1
149.13251	0.6
151.07501	1.0
151.11104	0.6
159.11665	2.4
160.08971	0.6
161.09497	0.6
162.06767	1.2
163.11174	21.0
164.08247	1.3
164.11476	0.7
165.09096	100.0
166.09441	3.2
173.09598	2.5
173.13268	2.0
175.07533	1.0
175.11156	5.5
176.08308	1.4
177.09094	13.0
177.12729	2.5
179.10626	2.0
186.10345	0.7
187.11166	2.3
187.14738	1.0
189.09137	0.9
189.12723	2.3
190.09875	1.1
191.10649	10.2
191.14284	0.7
201.12740	3.3
203.10611	2.0
203.14238	0.9
204.11511	1.6
205.12212	10.8
215.14262	1.7
219.13782	5.5
231.66164	0.7
233.15390	2.8
245.18945	0.7
247.16962	1.1
261.18460	1.2
275.20035	1.4
289.21634	1.6
303.23203	1.6
317.24707	1.1
317.28809	0.5
330.33575	0.7
345.27841	1.2
359.29343	1.3
373.30908	0.9
401.34094	2.5
411.36130	1.2
429.37250	35.6
430.37900	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
55.01862	9.1
55.05504	19.5
57.06804	5.8
57.07066	80.7
57.10015	4.4
63.59833	4.1
67.05492	35.0
69.03423	22.2
69.07066	21.2
71.05000	3.8
71.08624	64.7
71.28699	3.9
71.59235	8.1
71.63514	4.0
73.02888	4.9
79.05501	5.8
81.03410	33.5
81.07049	52.1
83.08603	25.2
84.63840	4.0
85.02898	11.8
85.10170	36.5
91.05788	5.7
93.07043	5.2
95.08588	61.9
97.02879	100.0
97.10168	27.0
99.04445	42.3
109.02858	25.2
109.10151	29.2
111.11686	7.3
119.08629	4.7
123.11683	14.0
127.03899	58.8
137.13271	4.5
145.04985	6.6
149.13286	4.4
162.12430	3.7
165.09056	6.1
204.21245	4.1
205.21156	4.1
209.35062	5.3
211.13324	5.6
248.62633	4.3
249.25842	7.3
267.26797	68.2
282.15240	4.2
411.30643	6.3
429.20996	5.3
429.32397	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	429.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.7
57.07062	13.4
65.36367	2.8
67.05498	5.0
68.19041	2.7
69.07059	43.6
70.00164	15.6
71.08622	6.0
79.05489	5.9
81.07047	11.1
83.04936	3.7
83.08601	17.8
93.07022	10.0
95.04939	3.2
95.08603	13.9
97.10155	11.9
105.07001	3.8
109.10132	7.5
111.11691	7.5
119.08564	3.1
121.06515	4.7
123.11633	3.4
128.99808	3.0
135.11649	3.6
137.05951	11.4
137.13245	6.0
141.05403	3.3
147.08017	2.9
151.07510	19.9
161.06015	4.8
165.05482	8.9
165.09056	5.1
167.05608	5.3
167.07031	100.0
177.09143	3.2
181.08554	4.6
189.09142	4.0
191.07103	3.1
193.08511	8.5
203.10722	4.3
205.08545	6.8
207.10133	10.3
221.11722	6.5
233.11723	3.9
309.65897	3.4
318.55612	2.9
326.51343	3.2
411.32553	5.0
429.33707	19.9
430.17694	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	429.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.1
57.03423	4.9
57.07077	1.0
63.74512	0.5
67.05493	8.6
69.07050	2.1
71.16354	0.6
71.16694	0.8
77.45408	0.5
79.05479	8.4
81.03339	0.6
81.07040	11.3
83.08614	1.2
91.05421	4.2
93.07031	10.4
95.04962	1.1
95.08587	8.8
97.06499	0.7
97.10179	0.5
98.20806	0.5
98.98447	0.8
99.08071	0.8
105.07011	4.3
107.08570	8.6
108.08929	0.6
109.10152	4.0
110.73869	0.5
112.99997	100.0
113.09621	0.5
117.06995	1.7
119.08573	3.5
121.10115	7.1
123.11690	2.1
124.29475	0.5
131.01074	1.0
131.08543	3.0
133.10114	2.4
135.08028	0.7
135.11679	4.9
137.13226	0.8
139.01503	0.7
145.10091	3.9
147.11678	2.4
149.09583	0.9
149.13231	4.4
153.12778	0.5
154.02632	1.0
155.01047	0.8
159.11705	2.8
161.13245	2.1
163.14786	3.2
169.02586	85.9
170.02972	1.1
173.13229	2.6
173.97702	0.4
175.14818	0.6
177.16399	1.1
187.14780	1.8
199.07787	0.5
200.18982	0.5
222.10597	0.5
233.22623	0.9
234.22797	0.5
243.21036	7.2
261.22113	20.3
262.22318	1.2
386.29718	0.5
429.23993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46121	1.4
53.03941	9.1
55.01848	6.3
55.05505	16.0
57.03434	17.7
66.72281	1.3
67.05183	1.8
67.05497	21.7
69.03110	1.8
69.03423	25.7
69.07060	10.8
69.41924	1.4
69.59370	11.6
71.01334	2.1
71.04978	8.4
73.02890	2.3
79.05089	1.7
79.05488	18.6
81.03408	91.0
81.07053	20.0
83.04966	21.1
83.08611	22.3
85.02884	24.9
85.06508	1.9
87.04442	2.4
91.05438	15.8
93.07042	14.4
95.04391	2.8
95.04955	27.9
95.08616	7.2
97.02879	47.9
97.06519	24.1
97.10136	5.1
99.04435	7.1
101.02345	2.2
103.03906	2.2
103.05405	2.0
105.07019	16.4
107.04932	7.0
107.08589	7.0
109.02881	16.0
109.06479	3.6
109.10123	4.8
111.04457	7.8
111.08060	12.7
112.76019	1.4
113.05994	2.3
115.05453	2.9
117.07018	2.2
119.08574	18.7
121.06487	2.7
121.10137	8.6
123.04443	2.4
123.08040	3.5
123.11661	1.9
125.09593	3.6
127.03905	13.0
129.05455	5.1
129.06984	9.6
131.08546	9.5
133.06468	3.8
133.10135	9.0
135.08041	2.5
135.11700	2.6
137.05846	1.5
137.09575	2.2
142.07753	1.8
143.08574	2.5
145.10098	3.4
147.08026	4.5
147.11667	14.6
149.02309	2.6
149.09601	5.5
151.07478	4.5
157.10107	12.1
163.11160	4.4
165.09106	2.4
165.12720	4.5
166.09419	1.9
167.08502	1.9
171.11671	2.3
173.09528	2.3
175.07475	1.7
175.11201	11.6
177.09125	1.9
181.12189	2.2
183.06538	3.6
189.09111	2.0
191.10660	3.7
193.05009	1.6
193.12224	66.2
195.07909	2.3
201.07384	1.5
211.13269	100.0
212.13593	2.8
213.09074	3.3
219.89528	1.6
223.07028	1.6
225.09148	1.8
227.12675	2.2
229.14345	3.8
235.13229	3.1
241.08559	3.4
249.14798	8.1
257.08267	1.6
267.16022	2.5
269.07977	3.7
283.15405	2.6
285.17059	18.1
309.04181	1.6
313.13995	2.7
330.35226	1.7
337.16397	2.0
339.15894	2.8
355.17682	2.1
365.13879	2.9
383.14792	4.7
393.18906	2.7
411.14368	2.5
411.20032	4.0
429.15228	9.7
429.21063	59.4
429.26981	3.4
430.21500	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	429.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05502	2.9
57.03428	4.9
62.06211	0.6
67.05495	10.6
69.03419	1.7
69.07057	2.9
71.04988	1.0
71.59237	0.8
79.05480	8.0
81.03405	4.7
81.07046	12.8
83.04938	0.8
83.08598	2.8
85.02898	1.0
85.06532	0.7
91.05431	4.5
93.07027	13.0
95.04950	1.8
95.08597	8.3
97.02865	2.6
97.06522	1.2
97.10149	0.9
105.07023	5.0
107.04985	0.7
107.08583	8.0
109.02874	0.9
109.10158	4.6
111.08022	1.2
113.00005	91.4
115.96684	0.6
117.06992	2.2
119.08564	6.0
121.10139	6.6
123.11668	2.3
129.06990	0.9
131.01053	0.9
131.08536	4.2
133.10120	3.8
134.29962	0.6
135.11673	5.3
137.13283	1.5
139.01552	1.1
145.10112	4.3
147.11699	3.4
149.09625	1.2
149.13239	5.0
151.07494	1.1
151.11174	0.9
153.12743	0.9
155.01059	1.0
159.11694	3.3
161.13255	2.1
163.14833	3.8
169.02596	100.0
173.13255	3.3
175.11130	1.1
177.16388	1.3
187.14832	1.6
189.16385	0.8
189.78763	0.8
193.04819	0.9
193.12230	2.8
201.16417	1.0
207.17459	0.8
210.78082	0.9
211.13243	5.1
219.11472	0.8
233.22623	2.2
243.21083	7.7
261.22119	26.5
262.22421	0.8
429.20776	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.3
55.01857	12.3
55.05508	20.4
57.03429	26.5
61.02913	32.6
65.03922	3.4
67.05491	37.8
69.03417	25.0
69.07050	9.5
70.06569	3.9
71.01334	3.3
71.04969	7.0
71.62562	3.0
73.02909	22.5
77.83662	2.4
79.05473	45.2
81.03409	100.0
81.07043	27.2
83.04966	22.2
83.08611	16.7
84.08116	6.2
85.02898	47.1
85.06516	4.5
91.03923	17.6
91.05444	36.5
93.07030	28.3
95.01300	5.1
95.04956	93.7
95.08588	19.0
97.02886	47.6
97.06525	12.7
97.10146	8.1
99.04437	10.5
101.02343	6.5
103.03923	12.0
103.05412	5.1
105.03380	3.4
105.07015	32.1
107.04927	23.5
107.08595	15.7
109.02871	24.9
109.06490	10.8
109.10116	4.9
111.04411	7.1
111.08064	12.7
113.05927	3.4
115.03880	3.6
115.05397	5.1
117.07017	11.8
119.04922	5.1
119.08565	20.7
121.02848	5.9
121.06476	19.9
121.10149	13.8
123.04415	54.9
123.08070	3.5
125.09581	5.1
127.03931	17.5
129.05449	3.5
129.06993	15.9
131.04881	5.1
131.08537	13.6
133.06496	8.3
133.10121	10.9
135.04379	5.3
135.08031	6.3
135.11658	12.1
137.05971	6.9
139.07527	3.5
143.08565	6.7
145.02792	3.0
145.04884	4.3
145.06447	5.7
145.10057	18.5
147.04352	15.2
147.08008	9.7
147.11652	14.7
149.06018	5.7
149.09618	9.2
153.01807	7.5
153.09091	5.9
157.06494	4.3
157.10126	8.3
159.04408	4.8
159.07983	3.4
159.11726	7.6
161.05923	5.0
163.03935	3.4
163.07518	4.0
163.11163	25.9
163.13324	4.4
164.13661	3.4
165.12718	4.0
167.05603	4.6
167.06984	4.9
171.04387	3.3
171.11647	7.9
173.05956	6.6
173.09642	8.9
175.07465	5.5
175.11201	13.7
177.05437	12.9
187.07506	3.9
189.05458	8.8
189.11183	4.0
189.12659	14.1
191.10692	6.6
193.12216	43.3
199.11182	3.7
201.05444	3.3
205.12254	7.0
207.13803	10.5
211.13242	39.6
217.12219	10.8
219.13794	3.5
223.13359	5.5
225.32866	2.8
235.13258	73.3
247.13078	3.6
249.14890	10.2
253.14311	7.9
259.13306	16.7
267.15884	25.8
269.07892	3.8
273.14764	32.1
277.14371	7.4
281.07700	3.4
283.13174	3.1
285.17023	4.4
289.14294	6.3
301.14270	23.3
309.16891	35.8
319.15521	7.2
333.16852	3.3
351.18024	6.5
359.02679	4.0
363.17953	4.8
367.08008	4.6
375.17975	26.3
383.14822	4.9
393.19266	14.0
411.14905	5.5
411.20099	7.7
429.16217	6.9
429.21082	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	429.1541
Annotation	Amorphigenol
Peak:m/z	Relative Intensity
53.03948	1.6
54.16942	1.0
55.01861	1.8
55.05500	3.9
57.03425	4.9
67.05486	3.5
69.03428	6.3
69.07056	1.3
71.04981	2.2
75.04472	4.0
79.05492	6.5
81.03411	15.4
81.07054	5.1
83.04985	3.8
83.08621	3.6
85.02890	4.5
86.09717	1.8
91.05454	9.8
93.07032	3.8
94.04178	1.7
95.04938	7.4
95.08614	1.0
97.02884	11.1
97.06563	1.2
99.04452	1.3
103.05449	1.9
105.07032	5.2
107.04946	4.3
107.08629	2.0
108.05734	1.3
109.02892	3.1
109.06547	1.5
109.10184	1.1
111.04379	1.4
111.08074	2.2
115.05445	3.7
117.07045	3.3
119.04932	2.4
119.08595	3.5
120.80954	1.0
121.06501	4.5
121.10117	1.3
123.04450	1.3
124.05212	4.5
125.06022	1.7
127.03907	2.6
129.05495	1.4
129.07027	1.7
131.04938	3.4
131.08609	3.0
133.06485	4.7
133.10078	1.6
135.04419	7.9
136.05212	1.3
137.05998	2.1
139.07527	13.4
142.07814	1.0
143.02211	0.9
144.05742	2.6
145.06497	4.8
147.04401	8.8
147.11722	2.9
148.05247	2.4
149.02393	3.2
149.06050	1.8
149.09641	1.3
151.07526	9.3
153.01860	1.2
153.05542	1.9
153.06897	1.0
155.07028	2.6
155.08492	1.6
157.06485	1.6
157.10164	3.2
159.04401	55.8
161.05978	6.3
162.06837	2.3
163.03911	3.9
163.07568	3.5
165.05457	1.0
165.06831	1.0
165.09142	3.5
165.12685	1.3
167.03426	3.3
167.07034	12.7
169.06488	1.7
171.04396	9.2
172.05193	1.5
173.05995	13.2
173.09634	1.3
175.03979	1.2
175.07634	1.1
175.11227	2.6
177.05447	12.7
178.06261	1.6
179.07007	14.8
181.04973	4.9
185.06087	1.2
187.03976	4.9
187.07524	38.9
188.07959	1.7
189.05440	5.3
191.07014	18.6
192.07794	18.6
193.08568	6.6
193.12239	12.1
195.06584	2.3
198.06752	3.9
199.07620	3.3
201.05461	2.8
201.09119	10.9
205.08661	2.7
211.07555	7.7
211.13254	17.4
213.09116	1.6
215.07037	2.2
217.08647	4.1
219.06538	4.5
220.07382	3.8
223.09668	2.6
227.07092	1.4
229.08574	27.6
237.07617	6.2
245.08183	1.3
247.09634	100.0
248.10091	2.9
254.57590	1.0
257.08151	3.0
275.09198	5.8
285.17072	3.3
295.09555	1.3
301.73767	1.1
325.10718	5.9
341.10208	1.1
353.10132	6.7
353.13846	1.1
365.13959	2.0
381.13474	1.7
383.14941	1.7
393.13135	5.9
398.13458	1.1
401.16251	1.8
411.14468	8.1
429.15533	68.9
429.21155	12.6
430.15720	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	429.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01857	5.3
55.05489	1.6
56.55381	1.0
57.03427	4.2
59.68497	1.1
61.02921	4.2
66.76539	0.9
67.05499	2.2
68.99790	2.3
69.03417	22.7
69.07047	1.5
70.06570	1.8
70.84085	2.9
71.04974	3.4
72.10540	1.0
73.02911	4.3
79.05482	4.1
81.03407	24.4
81.07059	6.6
82.66453	0.9
83.04971	2.6
85.02892	44.8
87.00821	15.2
91.03949	1.2
91.04490	1.0
91.05474	4.6
93.07024	9.5
95.04952	16.1
95.08633	1.0
95.50335	0.9
97.02877	15.4
97.06481	1.8
97.66611	1.0
99.04431	10.3
103.03932	2.2
105.01857	10.2
105.06999	7.8
105.56216	1.0
107.04902	1.2
107.08582	9.7
109.02857	23.8
109.06481	2.7
115.03904	1.1
117.01816	2.9
117.07008	3.6
119.04929	1.2
119.08597	4.6
121.02872	1.3
121.06487	3.3
121.10120	11.7
123.11703	1.1
125.05994	1.5
127.03894	36.5
128.64751	0.9
129.01872	2.9
129.06941	1.7
130.07747	2.2
133.06442	1.5
135.08018	1.3
135.11688	3.7
137.02325	10.5
137.05949	2.0
139.07561	2.1
139.94183	1.2
141.01712	1.4
143.08534	1.4
145.04955	13.5
145.06035	1.4
145.06509	0.9
145.10098	13.0
147.02846	2.4
147.04373	1.7
147.08005	1.9
149.05933	1.4
151.07477	2.6
153.01836	1.2
159.02887	14.1
159.04401	5.7
161.02393	1.0
161.05975	1.6
163.03947	1.6
163.11160	100.0
164.11479	2.5
165.09143	1.9
167.05704	1.5
167.06992	4.9
171.02954	1.2
171.04259	2.1
173.06068	1.4
175.11188	1.8
177.05423	2.0
177.12871	1.1
179.07007	2.8
181.12233	4.8
187.07498	3.0
189.01796	2.2
189.03795	1.5
189.12917	1.2
191.03412	1.5
191.07068	2.0
192.07748	2.2
197.06015	1.1
198.06680	1.1
205.12146	5.0
211.13263	1.1
213.09229	1.1
223.13162	6.5
229.08557	1.9
231.04938	7.9
233.08005	1.7
247.09598	6.9
248.09865	1.2
299.05545	1.7
303.05011	1.9
313.06961	1.0
315.04965	16.2
316.05484	1.4
327.05078	3.7
339.05002	8.7
340.05481	2.2
341.06549	4.6
355.08069	3.1
359.02747	2.0
365.06265	1.5
369.05948	12.0
370.05896	1.5
381.05835	5.5
383.07452	1.3
393.05984	2.2
393.15234	2.2
399.07169	2.1
408.35257	1.3
411.07001	7.7
429.08102	11.2
429.15411	6.8
429.20923	2.3
430.08496	1.1
440.10358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81955	1.4
53.03938	3.6
55.01866	2.4
55.05491	6.1
57.03425	3.9
65.03930	2.5
67.05489	6.5
68.99753	2.0
69.03418	8.0
69.07050	2.3
70.06577	7.3
70.76687	4.5
71.04985	3.2
72.08146	2.0
75.04465	4.8
79.05475	8.3
81.03403	11.3
81.07030	6.0
83.04968	5.7
83.08604	2.6
84.08139	6.4
85.02888	6.3
86.09700	22.9
87.19815	1.5
91.05387	8.4
92.96962	1.7
93.07028	4.5
95.04943	7.5
95.08584	3.4
97.02869	10.5
97.06521	4.0
99.04459	3.3
105.07015	6.7
107.04948	5.3
107.08565	3.0
108.05695	2.9
109.02843	4.3
109.06514	4.6
109.10136	2.5
111.04434	1.9
111.08094	2.4
115.05417	4.0
115.11160	2.0
116.07052	8.4
117.06998	5.2
119.04919	2.9
119.08571	5.4
121.02833	1.8
121.06481	4.1
121.10131	2.8
123.04445	3.1
123.08022	2.3
124.05212	4.2
125.06026	1.6
127.03911	2.4
129.07008	2.4
131.04909	4.6
133.06456	4.9
133.10098	2.3
135.04422	9.0
135.08029	2.0
136.05258	2.0
137.02266	2.2
137.05960	4.4
139.07506	12.8
144.05708	4.0
145.06441	6.9
145.10172	1.9
147.04402	6.8
147.08051	1.9
147.11703	2.2
148.05139	3.1
149.02316	4.2
149.05951	3.6
149.09677	1.8
151.07542	12.8
151.11235	1.7
153.01814	3.0
153.05453	2.2
155.07072	3.7
157.10085	2.4
157.92050	1.6
159.04396	54.4
159.07983	2.6
160.05014	1.5
161.02419	1.9
161.05962	6.8
161.09436	1.8
162.06711	4.0
163.03891	4.6
163.07533	6.2
163.11191	3.8
165.09016	3.0
167.03360	4.4
167.05667	2.8
167.07034	13.4
171.04417	8.8
173.05995	11.9
173.12894	9.3
175.03870	4.1
176.04695	1.9
177.05420	15.1
177.06670	2.0
178.06104	1.9
179.07030	17.7
181.04880	4.9
183.08055	2.9
185.09303	1.8
187.03867	6.5
187.05817	2.1
187.07507	40.6
188.07840	1.6
189.05446	4.6
191.06990	19.3
191.10550	1.8
192.07829	17.1
193.08565	5.3
193.12227	7.6
195.06357	2.8
198.06776	4.6
199.07529	5.2
201.05539	4.3
201.09135	9.1
201.12337	7.2
205.08505	3.5
207.06363	1.7
211.07494	7.9
211.13225	11.1
213.09114	4.6
215.06900	3.4
217.08530	4.8
219.06488	5.7
220.07326	4.3
227.06949	2.3
229.08540	28.9
229.15431	4.6
237.07558	5.0
247.09634	100.0
249.15028	2.1
275.09109	4.8
279.06491	2.0
285.16953	3.2
325.10730	5.0
353.10138	6.7
359.02722	5.3
365.13708	2.3
367.08020	4.1
381.13519	2.6
393.13290	5.5
401.15857	2.9
411.14624	9.6
429.15396	78.2
429.21057	14.3
430.15790	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	429.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64010	0.5
55.01850	0.7
56.96558	7.0
57.03417	2.2
61.02907	0.9
67.05480	1.2
69.03424	3.7
69.56621	4.3
70.06570	1.0
70.17439	0.5
73.02902	0.9
73.04738	1.5
73.71577	0.6
81.03403	1.1
84.08126	1.1
84.96020	1.1
85.02886	5.0
85.07625	1.5
86.09666	0.6
87.04448	1.9
91.05806	4.4
94.06548	6.3
97.02893	3.7
98.20854	1.7
98.21430	1.1
98.61751	0.6
98.97570	8.5
100.03934	0.9
106.06516	2.2
107.04939	0.6
109.02848	0.8
110.97572	1.8
112.07595	0.9
115.03918	2.0
116.98596	6.7
118.04997	1.1
119.04874	1.0
122.06017	6.1
127.03895	0.8
127.19293	0.5
128.98579	2.8
133.02792	0.7
134.77246	0.6
134.99646	3.3
136.06178	1.5
137.05937	2.1
145.03406	0.8
145.05049	0.8
146.99637	2.0
147.03232	0.7
147.04379	2.6
149.01233	1.0
150.05484	100.0
151.05838	2.4
152.07100	0.6
157.01324	0.8
158.99625	1.9
161.01192	1.1
165.00713	0.8
167.05566	1.8
167.06900	1.0
168.06531	3.5
177.00728	1.9
177.05438	0.7
189.00719	0.7
189.03963	2.0
201.00681	0.8
203.02240	0.6
207.05069	0.8
211.02797	0.6
219.01759	3.8
219.04994	1.3
223.02740	1.8
225.04282	0.6
226.01343	0.6
231.06514	0.5
235.02800	1.0
237.02757	6.4
239.02310	0.7
241.03809	1.7
241.06076	0.6
253.03885	1.6
258.05829	0.7
261.02875	0.6
267.01828	1.0
267.09698	21.4
271.04797	0.8
285.02905	1.3
298.94281	0.6
309.02881	0.8
313.05981	0.7
342.99579	0.8
351.09540	0.6
355.10489	0.6
359.02783	3.2
369.04941	2.0
369.08981	0.7
377.07474	0.7
387.05878	3.7
415.09238	0.9
429.07965	0.7
429.13474	4.0
430.13669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69705	4.7
57.03428	9.2
59.04986	9.1
62.06078	100.0
69.03402	9.6
70.06590	6.6
81.07028	4.6
85.02899	11.2
87.04417	6.1
93.03443	4.0
97.02882	11.9
97.64134	3.9
98.21487	10.3
99.86722	4.8
105.42442	4.6
115.03915	4.5
129.07060	5.3
133.06418	4.7
137.05930	6.9
150.07747	5.4
154.07788	4.9
157.10153	5.6
159.07968	6.6
161.05969	32.5
165.06984	7.1
165.37608	5.3
166.07692	8.1
167.08568	6.1
169.06435	11.2
173.06009	11.5
177.05452	5.4
179.08392	7.2
181.10124	11.5
182.07158	7.0
183.08037	16.9
185.05934	11.1
185.09593	16.7
187.07518	45.4
189.05431	10.7
193.06453	6.0
194.07219	7.2
195.08023	7.5
197.05991	12.7
197.09564	14.3
199.07486	7.7
201.09050	78.8
203.10612	61.4
205.04807	5.7
209.09584	55.0
210.06822	5.1
211.07562	13.4
211.11182	11.8
213.05632	8.2
213.09097	21.6
215.07008	16.9
219.10121	11.2
225.05473	8.7
225.09074	50.4
226.06180	7.4
227.07050	8.0
227.10625	84.7
229.08591	15.3
229.51796	6.6
231.06487	12.2
231.10077	7.9
237.09135	24.8
239.06908	5.6
239.10657	10.0
241.04703	4.8
241.08510	13.7
243.10139	16.1
247.09656	6.9
249.07640	6.5
253.08565	52.4
254.09386	14.3
255.10066	51.6
256.10837	15.7
257.11661	6.3
259.05951	9.2
259.09686	7.2
271.09573	54.0
273.11197	81.9
281.08084	25.2
283.09528	22.8
289.10568	21.6
291.12195	59.0
292.12769	6.5
299.09100	53.5
301.10645	71.6
317.10184	32.5
319.11716	85.1
319.15067	8.7
335.11176	43.4
337.12759	41.7
339.72672	4.6
367.14020	6.0
428.19241	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	428.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	6.2
62.06083	59.7
68.92600	2.3
69.03424	4.8
69.34052	6.6
69.34472	25.3
70.06576	3.8
74.55289	2.6
79.05495	4.1
81.03426	3.0
81.07005	2.9
82.06577	3.9
82.32568	2.4
85.02891	5.6
86.09710	6.4
93.07030	6.2
97.02866	5.9
100.71761	2.4
104.10721	6.8
105.07021	2.7
109.06507	5.1
119.08600	3.5
120.08100	3.2
123.31358	2.7
127.03881	5.0
129.06949	3.3
133.06418	2.8
137.06050	3.3
143.08508	4.6
145.06480	5.1
145.10126	3.6
147.04434	2.5
155.08549	4.3
159.04370	4.9
159.08025	7.7
161.05988	17.2
163.11145	4.7
165.07034	5.6
166.07825	3.0
167.06918	2.8
169.06497	7.7
169.10081	4.4
171.07982	2.8
173.05988	12.4
175.07512	3.5
177.05434	6.4
179.08531	4.2
181.10130	10.1
183.08018	11.2
184.07358	8.2
185.06020	6.7
185.09569	12.6
186.06781	3.1
187.03809	2.7
187.07518	34.3
189.05461	7.3
191.08510	3.4
193.10124	5.1
194.07318	4.8
195.08078	8.5
197.05939	8.9
197.09651	8.0
198.06793	4.3
199.07529	5.1
199.11259	5.8
201.09068	54.6
203.07042	4.4
203.10657	58.6
207.08136	3.6
209.09604	46.3
210.06750	4.5
211.07458	20.5
211.11095	14.6
213.05431	9.4
213.09076	23.9
215.06900	13.0
215.10657	9.1
217.08646	4.3
219.10094	5.4
222.02237	3.6
225.05511	5.5
225.09061	36.9
226.06271	3.4
227.06970	6.7
227.10655	64.7
228.07559	3.5
229.08601	8.4
229.12108	4.8
231.06477	11.0
231.10181	8.1
237.09122	16.1
238.06607	2.8
239.10657	9.0
241.04863	5.3
241.08549	9.9
242.05588	4.0
243.10172	12.6
247.09642	8.8
249.07605	3.6
253.08540	39.1
254.09341	19.8
255.10133	51.3
256.10934	10.4
257.08066	5.4
257.11771	9.2
259.06052	9.8
259.09634	3.3
265.08566	3.0
266.04831	8.2
271.09601	28.9
273.11185	80.6
275.12802	3.6
277.10583	3.1
281.08090	14.7
283.09537	18.2
289.10599	9.1
291.12204	67.1
292.12781	3.4
299.09036	35.5
301.10638	80.4
317.10229	36.5
319.11713	100.0
320.12100	6.3
335.11203	21.1
337.12750	93.6
367.13708	8.5
373.24707	2.7
424.02457	3.2
428.19119	8.4
429.15704	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	428.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.5
59.04977	4.0
62.06082	70.7
67.05493	4.8
69.03421	3.9
69.88591	4.8
69.89006	12.3
70.06573	6.7
71.04980	3.8
72.08121	3.6
79.05483	4.3
81.03396	4.7
81.07041	5.4
85.02864	7.6
86.09682	6.1
91.05442	4.1
93.07007	4.7
95.04948	12.9
97.02861	5.4
98.21368	4.3
99.04440	3.9
101.44160	2.8
103.87329	2.8
105.06979	5.3
107.08561	4.4
109.06522	6.7
119.04948	4.1
119.08566	4.6
120.08092	8.3
121.10120	4.6
127.03871	2.9
129.06989	4.7
131.08476	5.1
133.06412	3.0
136.03880	4.3
141.06996	6.4
143.08481	3.2
145.06502	3.1
145.10065	5.6
147.11568	4.1
154.07733	2.8
155.08528	6.8
157.10112	4.5
159.07991	5.3
161.04767	3.1
161.05965	20.8
163.11194	5.5
165.06960	5.9
166.07599	3.2
169.06464	10.9
169.10121	6.8
171.04340	3.4
173.05975	10.8
173.09644	3.7
175.07504	5.7
177.05392	4.6
179.03377	8.0
179.08589	5.7
180.03624	3.9
181.06451	8.6
181.10109	11.4
183.08000	9.7
184.07330	4.0
185.05980	5.5
185.09602	15.5
187.07521	33.1
189.05455	7.5
193.10178	4.3
194.07227	4.8
194.76225	2.8
195.08037	9.6
197.06023	6.9
197.09657	9.5
199.07568	5.1
201.05399	5.3
201.09074	55.6
203.06883	3.2
203.10622	62.8
205.04956	3.0
207.08080	4.2
209.09596	41.0
211.07536	14.3
211.11182	16.0
213.05481	5.3
213.09061	18.9
215.06993	11.1
215.10547	7.1
217.04750	3.9
217.08582	4.1
225.05533	5.0
225.09087	35.1
227.07089	7.2
227.10638	81.4
229.08466	11.2
229.12202	8.3
231.06624	14.7
231.10085	10.2
235.07350	3.1
237.09064	28.8
239.06989	5.8
239.10712	7.4
241.04958	6.5
241.08514	10.3
243.10176	12.4
245.11755	5.6
247.09721	4.5
248.16452	7.1
253.08559	35.7
254.09377	15.5
255.10130	47.9
256.10934	14.6
257.11542	6.2
259.05927	9.5
259.09485	5.8
266.17432	7.7
271.09650	26.7
273.11188	79.8
274.11520	4.2
277.10611	3.9
281.08127	16.9
281.10794	3.1
283.09613	23.8
289.10855	13.4
291.12244	66.7
299.09085	31.7
301.10663	83.3
302.10898	4.5
317.10196	26.2
319.11743	100.0
319.15472	4.9
329.18390	3.0
335.11163	26.7
337.12756	80.6
367.13797	4.1
410.21777	3.2
428.23236	6.6
429.21011	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01873	0.5
55.05502	3.8
57.03419	0.7
57.07070	3.8
65.03909	0.6
67.05191	0.5
67.05497	5.9
69.03403	0.9
69.07063	9.8
70.07384	0.4
71.08627	2.0
71.62007	0.5
79.05482	2.5
80.41309	0.4
80.74071	0.4
81.03410	0.6
81.07047	10.8
83.04971	1.0
83.08614	4.9
85.02888	0.6
85.10167	0.6
91.05437	2.0
92.35580	0.4
93.07028	3.2
95.04971	1.0
95.08592	9.0
95.95541	0.3
97.02885	0.5
97.06513	3.7
97.10159	2.9
105.06998	1.7
107.04955	0.6
107.08587	2.6
109.06522	0.6
109.10145	7.7
111.08073	0.5
111.11703	1.7
117.03384	0.6
117.06964	0.6
119.08559	3.5
121.06486	0.7
121.10133	2.5
122.07268	1.5
123.08068	0.8
123.11706	3.3
125.05962	0.8
125.13275	0.8
127.03828	0.6
131.08513	1.0
135.08031	2.9
135.11685	1.2
137.09601	9.4
137.13187	1.8
145.02805	1.4
145.06435	0.5
145.10110	1.5
146.07147	0.5
147.03352	0.5
147.08055	0.7
147.11653	0.6
149.02295	0.7
149.09598	6.3
149.13229	2.6
151.07494	2.3
152.53879	0.4
152.78706	0.4
153.01799	1.4
159.11687	1.0
161.09569	0.6
163.07539	1.4
163.11194	1.1
164.04688	0.8
165.09099	100.0
166.09462	1.8
167.03386	0.5
171.08052	0.4
171.11732	0.7
173.09592	1.1
174.10399	0.5
175.07552	3.6
175.11063	0.7
176.08336	0.9
177.05450	2.7
177.09091	4.1
177.12746	0.5
178.05960	0.7
179.10649	2.2
179.17905	0.6
183.04556	0.7
187.11140	1.9
189.09056	3.4
189.12691	0.9
190.09822	1.7
191.10661	3.0
195.02814	0.6
203.10660	5.3
204.11224	0.5
205.12219	16.5
206.12514	0.6
211.07629	0.6
217.12218	1.2
219.13840	1.3
230.05762	0.7
231.02834	0.7
231.13757	0.9
241.04895	0.7
241.75392	0.4
243.02905	0.5
245.15329	0.9
255.02826	0.6
256.03363	0.4
258.05136	0.7
270.05185	0.8
271.02518	0.6
271.05942	0.5
275.27423	0.5
283.02310	1.3
285.07578	0.8
286.04828	0.7
287.05215	0.5
298.04581	0.8
301.03723	0.7
301.07074	2.3
313.07089	0.5
315.04953	1.3
315.23285	0.6
316.05536	0.8
329.06583	1.4
330.07272	6.9
331.07855	2.0
358.70221	0.4
367.26831	0.5
369.09650	3.7
370.09833	0.6
371.29733	0.6
397.09137	1.4
412.11627	0.5
427.13846	15.8
427.35730	8.4
428.14169	2.6
428.36179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.393
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.46051	6.0
54.57166	6.1
55.05501	18.8
57.07061	7.8
67.05492	23.7
68.07912	6.4
69.07060	38.8
71.04990	9.1
71.06647	19.5
79.05508	11.5
81.07053	58.2
82.98705	6.5
83.08610	25.5
85.06525	53.0
91.05473	12.7
92.88214	6.9
93.07028	28.7
95.08598	87.8
97.10136	8.4
98.80719	6.2
99.08130	7.7
105.07022	8.2
107.08569	38.6
109.10147	100.0
111.11710	17.2
119.08598	16.3
121.10138	47.0
123.11695	29.1
133.10144	7.5
135.11684	28.4
137.13240	18.1
147.11658	8.4
149.13245	19.4
153.12688	6.9
163.14819	16.6
175.14861	8.2
177.16422	12.2
191.17972	15.8
203.17961	12.6
205.19423	34.6
217.19514	17.1
219.21196	6.7
221.19168	8.5
235.20578	8.7
270.95212	6.1
427.39459	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05272	0.4
55.05503	3.8
57.07064	2.7
58.78987	0.3
63.23664	0.3
65.03927	0.4
67.05491	4.5
69.03432	0.4
69.07060	8.5
69.84212	1.0
69.84644	1.3
71.08624	2.0
79.05485	2.0
79.05870	0.3
81.07049	9.1
83.04965	0.8
83.08611	4.5
85.10155	0.9
91.05470	1.5
93.07047	1.8
95.04956	0.4
95.08600	8.0
97.06503	1.8
97.10146	2.8
98.61830	0.3
101.05986	0.5
105.07021	1.2
107.08591	2.5
109.06555	0.4
109.10141	7.7
111.11726	2.5
117.03294	0.4
117.06982	0.7
119.08555	2.7
121.06451	0.5
121.10126	1.3
122.07269	1.4
123.08098	0.5
123.11713	3.6
125.06012	0.8
125.13227	1.0
129.06950	0.5
131.08510	0.9
133.10126	0.4
133.88821	0.4
135.07188	0.3
135.08014	1.6
135.11662	1.0
137.09599	9.7
137.13210	1.4
145.02884	0.7
145.10109	0.7
147.11659	0.4
149.09592	5.4
149.13225	1.5
151.07513	2.2
151.14847	0.6
159.08020	0.4
159.11696	1.0
161.09554	0.9
162.06792	0.5
163.07555	1.4
163.11191	0.8
165.09094	100.0
166.09439	2.0
166.53162	0.4
173.09627	0.6
175.07486	1.8
175.11096	0.7
176.08269	0.8
177.05460	1.1
177.09085	3.4
177.12671	0.7
179.10658	1.9
187.11139	1.2
187.77339	0.4
188.08379	0.6
189.09117	2.6
189.12643	0.4
190.09807	2.1
191.10663	3.0
193.12187	0.4
203.10658	4.0
205.12212	14.4
205.14151	0.7
206.12556	0.4
217.12267	1.9
219.13660	0.7
231.13797	1.0
245.15335	1.0
259.16772	0.5
275.27316	1.0
354.86130	0.4
385.30896	0.6
397.09000	0.4
427.13895	3.4
427.35669	7.2
428.14243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.05499	3.2
57.07053	1.3
67.05499	6.3
68.03252	0.3
69.06689	0.5
69.07053	6.1
71.00301	0.9
71.00660	0.4
71.08604	0.5
75.38409	0.4
79.05465	1.8
81.07047	11.8
81.64383	0.4
83.04942	0.7
83.08588	2.7
84.32713	0.3
85.02899	0.4
91.05463	1.6
93.07016	1.5
95.04956	0.5
95.08591	14.2
97.06498	0.9
97.10150	1.6
105.06998	1.1
107.04947	0.5
107.08573	1.4
107.76323	0.3
109.10142	10.1
109.60244	0.4
111.11693	2.3
117.07004	0.6
117.96640	0.4
119.08557	2.7
121.10113	1.3
122.07256	1.5
123.11684	3.0
124.12035	0.5
125.05962	0.6
125.13273	0.6
129.06998	0.4
131.08521	0.7
133.10138	0.8
135.08047	1.0
135.11684	1.0
137.09598	8.0
137.13214	3.4
140.31621	0.4
145.10159	1.0
147.83092	0.4
149.09619	1.6
149.13170	0.8
150.38934	0.3
151.07501	1.0
159.11652	0.7
163.07484	0.7
163.11195	0.5
165.09094	100.0
166.09427	1.8
173.09633	0.6
174.52158	0.5
177.09056	1.1
179.10693	0.9
187.11139	0.9
189.09106	0.7
190.09888	1.0
191.10684	1.1
203.12607	0.4
205.12210	10.0
275.27423	0.8
352.59366	0.4
355.04343	1.2
385.09259	2.2
427.13712	1.7
427.35745	3.9
435.49332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
51.32177	1.3
53.03938	6.3
55.01639	1.4
55.01867	6.4
55.05497	10.9
57.03424	1.7
59.87229	1.4
65.03933	4.2
67.05497	28.9
69.03425	5.6
69.07053	12.4
69.33526	13.9
70.24863	1.3
73.06537	3.4
79.05480	69.8
80.06263	16.6
81.03419	3.4
81.07046	48.3
82.07407	1.4
83.04988	5.2
83.08610	4.6
85.06552	9.8
87.04472	5.1
91.05469	87.0
92.06254	4.7
93.07032	58.7
94.07277	2.5
94.07820	28.1
95.04957	15.1
95.08597	20.9
97.06538	7.7
98.07321	1.6
99.08119	1.8
103.05458	5.9
105.07019	69.2
106.07835	1.6
107.04941	9.3
107.08576	28.0
107.09261	2.4
108.09399	2.7
109.06518	3.3
109.10161	12.3
111.08082	2.0
115.05460	6.4
117.07011	11.2
119.04928	10.8
119.08565	38.7
119.17007	1.3
120.09406	2.2
121.06490	2.8
121.10134	6.3
123.11657	2.2
128.06229	6.3
129.06999	15.5
130.07861	1.9
131.04909	9.3
131.08556	29.9
133.06502	4.9
133.10112	64.9
134.10910	7.9
135.04405	2.6
135.08026	13.0
135.11707	8.1
137.09645	6.2
137.13277	2.6
141.06970	3.7
142.07784	6.4
143.08574	5.2
145.02858	3.9
145.06488	5.6
145.10124	5.3
147.04382	9.2
147.08057	5.9
147.11670	31.7
148.12383	2.0
149.09610	4.2
149.13255	4.7
151.07550	3.5
152.06166	2.2
152.65305	1.5
153.07021	4.6
155.04884	1.7
155.08510	2.6
157.06503	2.5
157.10107	21.6
158.10889	2.9
159.04388	12.2
159.08029	1.6
159.11700	5.3
160.05197	5.4
161.05971	2.7
161.09558	2.1
163.03885	7.5
165.06950	4.0
165.09094	41.0
167.08566	2.5
168.05669	1.6
169.06482	5.5
171.04398	1.5
171.08043	4.5
173.05960	43.7
174.06769	2.9
175.03906	5.6
175.11160	41.7
176.11943	4.6
177.05458	3.2
177.12746	5.7
181.06546	4.4
183.04343	1.8
183.08054	2.7
185.05923	10.6
187.07521	12.4
188.08328	4.5
191.03394	15.8
191.10590	1.6
195.08047	4.0
197.05984	7.1
197.09674	2.1
198.06717	4.7
199.07520	69.7
200.08040	2.4
201.05429	2.6
201.09100	2.3
203.03397	5.5
205.04936	1.6
205.12234	5.8
207.08064	2.0
207.13803	10.2
208.14618	2.5
209.09656	1.6
211.07512	8.0
212.08412	1.9
213.05502	2.0
213.09076	7.5
215.06967	1.8
217.04994	4.6
219.02878	1.7
223.07523	2.3
225.05530	3.2
225.09116	7.3
227.07101	2.2
227.10704	2.3
231.02873	17.9
232.09070	1.6
233.04477	4.9
237.09174	3.9
239.07011	2.0
239.10645	2.3
243.06490	4.2
245.04419	100.0
247.06059	4.1
251.07117	1.8
253.08540	3.2
257.04410	12.7
259.05969	29.0
266.13083	3.1
271.05994	56.3
272.06436	1.8
279.06561	2.5
283.06049	4.9
285.07532	15.9
297.07507	16.1
298.08145	1.6
299.09012	7.1
303.13641	1.7
307.05945	2.0
311.09149	9.7
315.08774	1.8
323.16400	2.0
349.14291	3.0
351.12375	3.5
361.01498	1.5
367.15405	6.4
377.13712	10.9
381.16885	2.3
395.14853	34.8
409.16507	3.8
427.17480	69.8
427.35815	2.2
428.17566	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19564	1.6
53.03934	4.7
55.01858	4.0
55.05497	3.8
57.03436	3.8
65.03936	2.4
67.05492	2.4
69.03418	4.8
70.06594	4.9
70.11328	8.9
71.04971	3.6
72.08119	2.4
79.05466	4.3
81.03400	8.3
81.07053	3.0
82.06585	3.1
83.04958	2.7
83.06069	3.3
85.02884	16.9
91.05466	20.7
93.07027	6.4
95.04941	2.2
97.02876	3.1
99.04443	19.8
103.03940	29.9
103.05435	6.5
105.07034	11.8
107.04951	4.8
109.02876	15.5
109.06501	2.7
111.04415	2.2
113.05960	3.6
115.05451	11.5
117.05471	14.9
117.06997	16.3
118.04074	2.3
119.04926	4.5
119.08621	9.5
120.05789	1.7
121.06499	14.3
122.05983	3.4
123.04398	5.0
124.07568	3.6
127.03878	14.2
128.06180	3.1
129.06993	5.4
131.04889	8.4
131.08585	3.1
132.05707	5.3
133.02876	2.3
133.06473	8.5
134.07246	1.9
135.04427	3.3
135.08034	7.1
137.05981	11.3
138.06639	2.1
143.04919	2.1
144.05652	5.4
145.02802	3.6
145.06461	15.6
146.07201	3.6
147.04388	8.7
147.08031	13.2
148.05121	2.7
148.54222	1.8
149.05963	14.5
149.09567	6.6
150.07750	21.4
151.03912	4.0
151.07524	11.5
154.97421	1.9
157.06471	2.6
157.08522	3.3
159.04433	2.5
159.08032	7.3
160.05196	7.0
161.05977	17.2
161.09660	2.7
162.06770	9.0
163.03867	4.8
163.07497	10.6
164.10719	2.5
165.05493	4.5
165.09108	5.6
166.06320	2.3
167.07011	30.4
171.04369	2.3
173.05931	10.2
174.06657	8.9
175.07515	38.7
176.04626	4.2
176.08313	4.0
177.05450	25.7
177.09061	18.2
178.06230	6.6
179.03377	33.1
179.06998	8.4
179.10675	5.1
181.08606	3.2
185.06010	3.8
187.03969	2.7
187.07494	12.1
188.08229	5.1
189.05463	9.7
189.08986	3.6
190.06194	10.9
191.07018	20.9
191.10660	4.7
192.07706	4.8
193.08559	9.7
201.05440	12.7
201.07538	12.9
202.06235	2.1
203.06949	12.5
204.07823	6.3
205.08578	32.6
206.05730	2.7
206.09111	2.4
207.06494	13.9
207.10078	16.5
209.08049	19.0
215.06963	15.1
216.07806	25.3
216.09920	3.0
217.04915	3.2
217.08545	3.3
219.06639	3.4
219.10144	8.9
221.08070	15.3
223.09506	9.2
223.53349	2.3
224.05602	5.0
225.07611	6.6
227.09096	6.0
232.07370	4.3
233.08063	74.2
234.08835	14.7
235.09647	10.7
237.11308	4.0
238.07054	2.6
246.58307	2.0
247.09602	25.3
251.09111	5.6
261.04016	2.0
265.10693	100.0
266.11157	2.7
276.09869	7.9
283.11725	3.4
294.11035	2.1
295.11523	2.5
307.11902	5.6
325.12811	16.1
331.12799	2.2
349.13663	3.2
353.09625	2.1
366.06415	3.1
381.09369	5.3
409.09683	2.6
409.15091	3.8
427.18753	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	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00658	0.2
57.04556	0.5
60.43720	0.2
60.74647	0.2
66.72340	0.2
69.03420	0.3
69.76019	0.2
70.06581	0.6
70.72527	0.3
70.72860	0.4
71.68672	0.2
84.08115	0.3
85.02888	0.3
94.04058	1.1
95.08571	0.3
97.02844	0.2
119.03511	0.2
123.06651	0.9
133.05043	0.3
135.05370	0.3
137.06007	0.3
145.02824	0.5
147.04337	0.4
148.06134	0.3
150.07732	100.0
151.08185	1.0
177.05496	1.1
179.03323	0.5
189.99341	0.2
282.11926	0.8
295.11469	19.0
296.11765	0.3
307.94012	0.2
427.13440	0.3
427.19260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05493	1.2
56.23868	0.4
57.03437	3.4
62.34772	0.5
63.02378	0.6
67.05476	1.4
68.99765	0.4
69.03399	1.6
69.07047	1.0
70.07929	2.3
71.00995	0.5
71.01346	7.1
71.04987	0.8
73.02528	0.7
73.02905	9.0
73.04848	0.5
77.86589	0.5
79.05468	0.9
81.03392	1.0
81.07028	1.7
82.06570	0.5
83.01322	1.4
83.04965	0.9
83.08589	1.3
84.08118	0.5
85.02400	0.8
85.02898	15.7
89.03903	6.5
91.05454	1.5
93.07024	1.3
95.01294	1.3
95.04952	0.9
95.08590	1.5
97.02860	2.1
97.06534	3.9
99.00806	1.1
100.07608	0.5
100.11243	2.7
101.02376	3.2
103.03918	1.0
103.05396	0.7
105.03374	0.4
105.07014	1.0
106.98436	0.5
107.04973	0.8
107.08566	0.6
109.06510	0.5
109.10104	0.9
111.04423	1.1
113.02354	4.7
117.03367	20.9
117.04205	1.0
118.03704	0.5
119.04906	0.7
119.08521	0.5
121.10113	0.7
131.03397	2.6
131.04897	0.9
133.10085	0.7
134.03613	1.1
135.04385	1.8
137.05978	1.2
141.01849	2.2
141.11491	0.5
145.02829	46.7
146.03169	1.8
147.04384	0.7
147.11674	0.6
149.05956	6.0
159.02879	1.4
161.30083	0.4
163.03886	1.5
167.06995	1.0
175.03952	0.6
177.05447	100.0
178.05731	3.3
179.05922	0.8
181.06586	0.7
182.15388	2.2
186.05513	1.6
195.02863	8.7
195.06509	1.5
209.16542	0.7
210.14911	1.7
251.09145	3.9
323.09296	0.5
329.92383	0.6
330.25644	0.8
343.30481	0.5
381.13266	0.6
383.11111	0.9
391.10352	0.7
395.07547	1.4
397.05481	1.0
409.12509	0.8
427.12451	33.6
428.12708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70898	1.1
55.74437	1.1
56.96555	2.1
57.03405	2.4
62.06081	100.0
69.03407	3.5
70.06588	2.4
70.17438	5.8
73.02918	1.3
85.02903	6.0
97.02879	3.9
98.97565	2.5
107.04953	2.0
109.02917	1.5
116.17991	1.2
116.79035	1.2
121.02889	1.8
127.03860	1.3
137.05942	1.9
142.77921	1.2
147.04391	2.8
161.05910	7.1
167.07072	1.7
167.08551	1.2
168.08942	1.3
169.06407	1.5
171.08092	1.7
174.06744	1.7
177.05539	1.3
183.08061	1.5
185.06035	3.4
185.09673	2.2
189.05429	3.1
189.09093	2.1
199.07491	3.1
201.09135	4.9
203.06987	2.8
203.10545	1.4
213.05447	10.2
213.09027	4.8
215.07021	5.9
215.10744	2.5
217.04909	1.8
217.08496	8.3
219.10184	3.0
223.07556	1.8
225.09081	2.3
225.14287	1.2
227.07025	3.9
228.07785	12.9
230.09334	1.5
231.10294	2.0
233.08099	1.8
237.02875	2.4
241.04932	3.1
241.06277	1.7
241.08501	15.4
241.10631	1.7
243.10214	4.2
247.09453	1.5
253.08505	2.0
255.06613	1.7
255.10117	2.6
259.06009	1.8
259.09610	2.1
269.08023	4.7
271.09564	1.8
273.07608	2.1
283.09631	1.6
287.09036	7.6
289.10803	6.3
301.10745	1.7
305.10089	3.6
315.08560	2.3
329.10153	2.9
333.09766	7.1
335.11237	12.4
347.11230	2.4
364.47293	1.3
365.12198	8.0
414.95694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	16.2
56.32269	2.4
56.36400	2.9
57.07063	9.0
65.03895	2.9
65.41897	2.1
67.05180	3.7
67.05493	29.4
69.07066	28.7
69.28004	28.3
75.37712	2.7
79.05491	18.1
81.07044	61.1
83.08604	11.0
83.38763	2.5
91.05458	16.1
93.07030	44.4
95.04919	2.6
95.08595	100.0
95.09215	5.3
97.06494	2.7
97.10154	8.3
105.07010	38.7
107.08582	63.7
109.10146	67.8
111.11708	3.7
113.05965	2.9
113.26986	2.5
115.05426	2.9
117.07028	4.5
119.08563	39.5
121.10121	61.2
122.10456	2.7
123.11697	34.3
129.06966	2.9
131.08548	6.9
133.10106	36.6
135.11682	38.8
137.13255	16.3
145.10101	11.4
146.10619	3.1
147.11687	32.1
149.13226	38.3
153.39026	2.8
159.11632	12.2
161.13248	33.2
163.14796	28.8
165.09029	2.9
171.11617	4.0
173.13249	10.2
175.14799	21.1
177.16333	19.0
179.14297	7.9
185.13295	3.3
187.14795	10.5
189.16335	16.8
190.52025	2.4
191.17928	59.0
201.16383	9.9
203.17923	42.4
205.19566	16.3
207.17328	3.4
215.17989	15.4
217.19484	47.5
221.18922	5.9
229.19473	9.0
231.21053	8.3
233.19124	4.9
235.20514	10.9
243.20872	3.3
245.22668	7.1
247.20563	4.7
257.22629	2.8
269.22592	3.7
376.64066	2.7
407.36685	19.6
409.65115	3.6
425.37964	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	16.6
57.03442	3.2
57.07058	9.0
63.14260	2.0
65.03924	2.2
65.33614	2.2
67.05495	27.0
67.77097	2.1
69.07059	31.3
69.55663	1.9
79.05473	13.9
81.07050	50.4
81.17880	1.8
83.08621	15.8
84.91843	2.0
86.09681	2.5
89.82272	2.0
90.17913	2.0
91.05450	14.4
93.07034	34.5
95.04962	3.4
95.08594	100.0
95.09209	4.7
97.10149	7.5
98.20677	5.2
105.07021	28.9
107.08585	68.9
109.10140	70.1
111.08061	3.6
111.11697	6.7
113.09608	2.9
117.07040	2.8
119.08562	46.6
121.10126	52.5
122.10449	2.3
123.11690	29.2
126.90498	2.3
131.08533	8.1
133.10110	40.1
135.11682	45.3
137.13255	11.7
143.08577	2.8
145.10106	13.9
145.34341	2.2
147.11674	29.3
149.13242	26.6
151.11026	2.7
151.14766	5.8
157.10074	3.4
159.11671	19.7
161.13229	36.4
163.14795	31.4
165.09091	5.0
165.12732	2.5
171.11656	3.4
173.13222	14.7
175.14839	27.4
177.05461	4.3
177.16368	22.3
179.14305	9.5
179.17880	3.4
187.14781	12.3
189.16376	31.0
191.17924	18.7
193.10767	2.0
193.15808	3.4
199.14941	4.2
201.16371	14.7
203.17934	29.8
205.15959	2.2
205.19458	18.1
205.49155	2.2
207.17430	22.2
215.17932	16.5
217.19458	23.9
219.21011	4.1
227.17947	4.7
229.19510	15.5
231.21089	9.9
241.19409	3.9
243.21135	13.7
245.22575	11.7
255.21080	3.7
257.22632	7.5
269.22522	5.7
271.24152	9.9
283.24265	2.6
284.17114	4.9
285.25833	3.3
287.23605	4.0
297.25647	7.2
315.26837	4.7
337.29016	2.7
365.31940	6.7
407.36661	46.8
408.36954	3.8
425.37833	59.1
426.37823	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.38222	1.7
53.03922	2.7
55.05500	17.5
57.07056	6.4
65.03927	2.3
67.05492	33.0
69.07069	25.7
69.20847	1.7
69.80051	3.5
69.80469	8.0
70.24920	1.7
72.04265	1.7
77.76055	1.7
79.05484	18.1
81.07047	55.9
83.08591	13.6
85.89581	1.5
91.05450	10.8
93.07032	41.3
95.04939	2.9
95.08594	100.0
97.06511	2.4
97.10166	7.9
98.20703	3.3
99.08089	2.1
105.04427	1.9
105.07019	35.3
107.07832	3.1
107.08578	61.6
109.06519	2.2
109.10141	82.8
111.08070	2.6
111.11720	5.3
117.03380	4.4
117.06990	2.8
119.08565	51.1
119.09418	2.7
121.10130	51.1
123.08090	4.8
123.11693	32.2
125.09717	1.8
128.06171	2.0
131.08569	7.9
133.10104	39.8
135.07870	1.7
135.11676	36.5
137.09607	2.2
137.13231	18.7
143.08601	4.1
145.02815	10.9
145.10089	13.6
147.11688	25.6
149.13243	23.4
151.11243	2.7
151.14816	2.7
157.10097	2.6
159.11674	16.5
161.13242	32.8
161.14549	2.3
163.14806	22.1
165.09174	5.0
171.11702	4.3
173.13203	11.3
175.14821	21.2
177.05463	18.8
177.12755	2.2
177.16367	22.6
179.14320	9.7
179.17979	2.6
185.13347	2.9
187.14798	10.7
189.16362	24.1
191.17921	22.3
197.13153	1.7
199.14796	3.8
201.16397	12.8
203.17935	30.9
205.15697	2.3
205.19469	8.9
207.17445	11.3
213.16475	2.4
215.17900	12.9
217.19484	24.7
219.21140	5.3
227.17979	3.0
229.19525	9.5
231.21112	5.5
233.19014	4.7
239.14902	1.8
243.21152	5.7
245.22676	10.0
247.20766	3.6
255.20921	4.0
257.22708	8.0
259.24197	2.8
269.22748	5.0
271.24103	2.5
297.25711	3.7
315.26746	2.6
353.31927	2.2
381.16644	2.2
407.36722	28.5
408.37064	2.6
425.27979	2.6
425.37833	68.1
426.38068	4.9
444.95422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.01851	3.0
55.05507	19.7
55.52561	2.2
57.07076	6.2
65.03926	3.0
67.05495	43.9
69.03431	4.7
69.07060	24.7
71.60599	3.3
76.97833	3.1
79.05470	17.6
81.03418	3.6
81.07045	66.9
83.08579	15.6
85.06537	3.8
89.03927	5.6
91.05448	22.7
93.07025	52.8
95.04932	5.9
95.08591	100.0
97.06541	4.9
97.10155	6.6
105.07014	44.2
107.08575	79.0
109.06516	6.1
109.10136	81.7
110.10467	2.8
111.08073	5.2
117.03347	14.7
117.07034	4.4
119.08561	64.9
121.10130	60.1
123.08061	4.0
123.11682	37.1
123.14625	2.4
129.06978	5.3
131.08554	13.8
132.59770	2.4
133.10114	58.0
135.08044	4.1
135.11674	78.2
135.12650	4.1
137.05962	4.7
137.09660	2.5
137.13231	14.7
145.02853	24.3
145.09035	3.3
145.10059	17.5
147.04462	2.6
147.11682	44.9
149.05975	3.2
149.09628	2.5
149.13248	26.6
151.07506	3.3
151.11192	3.1
151.14795	4.0
157.10138	4.9
159.11661	16.6
161.13229	32.3
163.11143	2.9
163.14807	20.4
165.09084	22.3
165.12816	3.3
171.11668	3.6
173.13240	12.7
175.14781	22.1
177.05437	45.0
177.06804	3.5
177.16417	18.5
179.14320	6.3
187.11253	2.8
187.14853	9.0
189.16383	20.5
191.17885	21.3
201.16454	10.0
203.17928	48.4
205.19620	3.4
207.17538	3.9
215.18066	12.1
217.19505	32.9
229.19543	7.9
231.21069	8.1
243.21089	3.4
245.22781	6.0
247.20601	2.7
257.22641	6.1
271.24255	6.3
285.25824	3.7
291.06400	2.7
363.08762	4.0
364.05832	10.4
379.08237	8.3
397.09152	7.6
407.36844	13.2
425.08154	4.5
425.28366	4.6
425.37869	90.3
426.38232	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03919	2.1
55.05502	14.3
57.07071	6.8
60.19165	1.1
65.03911	1.1
67.05492	22.8
69.06696	1.7
69.07055	23.5
71.08601	1.7
79.05484	11.2
81.03435	1.5
81.07040	59.5
83.08601	14.0
91.05454	9.5
93.07035	27.8
95.04954	2.2
95.08591	100.0
97.10149	7.8
98.20716	3.9
103.05460	1.3
105.07018	22.2
107.08578	46.9
109.06519	1.4
109.10133	56.4
110.10487	1.2
111.08049	1.2
111.11719	2.5
113.09641	1.1
117.03399	1.5
117.07010	2.2
119.08565	30.4
121.10128	43.6
123.11686	37.0
124.12079	1.4
125.09595	2.3
131.08575	6.3
133.10107	27.8
134.10370	1.2
135.11670	33.8
137.09622	2.0
137.13229	31.4
139.11137	2.4
143.08600	1.6
145.02847	6.0
145.10085	10.1
147.11661	19.4
149.13225	30.4
151.14828	3.6
157.10101	2.1
159.11693	13.0
161.13239	24.5
163.11166	1.6
163.14790	14.0
165.09087	14.4
165.12744	2.1
171.11618	2.7
173.13258	9.6
175.14793	15.0
177.05443	8.8
177.12837	1.4
177.16371	23.7
178.16660	1.7
179.14275	2.5
179.17918	2.9
185.13240	3.3
187.14771	9.1
189.16362	14.2
191.14272	1.4
191.17909	25.0
191.19513	1.9
199.14816	3.8
201.16377	11.6
203.17932	25.0
205.15936	1.9
205.19499	16.2
207.17393	3.8
213.16322	2.0
215.17935	12.7
217.19478	25.8
218.19829	1.7
219.17441	3.1
219.21049	4.2
221.18912	3.2
227.17906	4.6
229.19476	13.4
231.21056	5.7
233.18887	5.4
235.20480	2.0
241.19539	3.4
243.21088	3.3
245.22664	4.8
247.20557	7.0
247.47131	1.3
255.21101	2.8
257.22504	9.6
259.20547	1.7
261.22180	1.5
269.22604	4.8
271.24228	4.2
273.22049	3.8
275.23666	3.7
283.24054	3.2
287.23645	4.9
289.25137	1.5
297.26041	1.4
301.25369	2.4
311.27213	1.5
313.28915	3.1
323.27414	1.4
353.31912	5.6
407.36649	21.0
425.37726	56.4
426.38162	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3769
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.10978	2.2
53.03931	2.2
55.05500	16.9
55.68520	2.1
57.07061	5.9
59.21004	2.3
59.38254	2.5
61.36205	2.4
67.05498	25.5
69.07050	29.2
69.32929	8.6
69.33364	18.8
71.08612	3.2
74.12151	2.3
79.05474	13.9
81.03404	2.4
81.07040	57.1
81.07494	4.3
83.08614	14.1
85.06516	2.6
89.03887	4.1
90.09757	2.1
91.05457	16.6
93.07036	36.3
95.08592	100.0
97.10173	7.0
105.07017	34.6
107.08577	66.6
109.10134	80.2
111.11710	5.0
117.03347	12.4
117.07021	3.2
119.08565	48.5
121.10118	52.9
123.11682	31.4
129.48177	2.3
131.08548	8.1
133.10106	43.8
135.10666	2.5
135.11681	46.4
136.12009	2.5
137.09560	4.1
137.13217	16.9
145.02832	32.5
145.10117	10.4
147.11668	31.2
149.13229	25.0
151.14830	4.0
159.11678	17.0
161.13220	35.4
163.14801	25.4
165.09071	12.7
171.11728	3.2
173.13243	10.8
175.14801	21.6
177.05440	45.3
177.16376	20.3
178.05898	3.8
179.14346	7.8
181.89722	2.2
187.14786	12.8
189.16351	30.3
191.17918	23.7
199.14912	2.4
201.16286	14.5
203.17926	36.9
205.15862	2.3
205.19489	9.7
207.17389	11.8
213.16295	2.6
215.17900	13.9
217.19484	25.2
229.19539	9.6
231.21053	7.0
243.20988	5.2
245.22591	10.2
247.20673	3.8
255.21042	5.8
257.22592	9.9
269.22546	4.6
271.24136	6.4
275.23984	2.5
295.03625	3.0
297.25732	5.8
303.13638	2.8
311.27679	2.3
315.26974	3.1
406.10898	3.9
407.36652	32.7
408.36890	3.0
419.69504	2.7
425.37787	66.4
426.37955	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05494	10.1
57.07055	6.0
67.05503	23.3
69.07062	27.2
70.46011	2.6
79.05479	13.2
81.07046	52.3
83.08604	12.5
91.05475	9.7
93.07039	27.6
95.08592	71.1
97.06477	3.0
105.07011	20.4
107.08572	53.5
109.10139	50.4
109.10872	3.8
111.11717	9.3
119.08569	24.8
121.10130	52.0
123.11698	31.1
131.08525	5.3
133.10104	30.7
135.11685	37.5
137.13248	15.0
143.08473	3.1
145.10092	11.7
147.11655	22.6
149.13254	18.5
157.10097	3.2
159.11676	11.4
161.13271	17.5
163.14790	21.8
171.11646	4.0
173.13225	13.2
175.14822	13.3
177.16382	13.0
179.14323	3.0
187.14806	9.3
189.16354	13.7
191.17982	10.4
201.16399	6.2
203.17946	7.9
205.19519	6.5
207.17419	6.2
215.17918	8.8
217.19551	10.5
219.21100	4.3
227.17921	4.6
229.19562	7.1
231.21074	9.2
243.21059	13.4
245.22581	10.9
255.21178	2.7
257.22662	9.5
259.24277	9.8
261.22141	4.3
269.22672	11.6
271.24237	9.5
273.25848	2.9
285.25702	9.4
287.23776	5.7
297.25766	3.0
302.38333	2.8
329.28339	6.7
393.37460	3.2
407.36591	33.4
425.37744	100.0
426.38040	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05493	3.9
57.07056	1.8
57.61148	0.9
67.05490	9.4
69.07063	11.2
69.39151	8.8
71.08587	1.3
79.05473	4.3
81.07043	22.5
83.08598	4.2
91.05470	3.6
93.07029	10.0
95.04916	1.1
95.08593	43.4
97.06523	2.6
97.10158	3.1
98.15033	1.0
105.07011	5.8
105.63969	0.9
107.08582	21.5
109.10138	34.4
109.10899	1.8
111.08058	1.8
111.11723	5.3
119.08559	13.4
121.10132	22.0
123.08092	1.5
123.11691	14.7
131.08545	2.1
132.70790	1.0
133.10107	10.3
135.11673	17.1
135.99776	1.1
137.13237	10.4
145.10117	5.5
147.11684	7.5
149.13223	10.0
151.14786	1.4
153.32948	1.1
157.10139	1.1
159.11710	4.2
161.13239	10.4
163.14771	10.2
173.13293	4.4
175.14792	6.6
177.16364	7.6
179.14287	3.0
179.17815	1.1
183.66544	1.1
187.14790	4.1
189.16293	6.9
191.17931	18.0
201.16393	5.3
203.17918	7.3
205.19496	7.5
207.17461	2.9
215.17902	6.8
217.19508	7.3
229.19601	3.4
231.21065	3.6
233.18988	3.2
241.19536	1.2
243.21030	6.7
245.22638	7.0
247.20578	13.6
257.22614	2.7
259.24155	2.9
261.22128	3.7
269.22717	3.4
271.24200	4.1
273.22366	1.4
273.25647	1.7
283.24304	1.5
285.25656	2.4
287.23706	2.3
297.25787	1.9
311.27219	1.1
315.26785	1.7
407.36627	17.0
408.37311	1.6
425.37732	100.0
426.37970	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	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07752	0.5
58.78595	0.5
63.90281	0.5
69.63302	3.2
69.63707	0.9
82.99418	0.5
82.99851	1.2
97.02885	0.8
98.97575	0.8
101.00867	9.2
109.02879	0.6
111.22942	0.5
113.00836	1.3
115.40578	0.5
119.01909	16.3
119.59018	0.5
127.02386	1.3
131.01878	6.8
137.02924	2.1
141.96539	0.5
143.01871	23.8
144.01994	0.6
145.03447	7.4
146.23131	0.5
147.01353	0.7
148.66644	0.5
149.02910	0.6
155.01865	9.6
157.03468	4.8
161.02939	39.5
162.03032	1.5
163.04503	0.7
167.01872	7.4
169.03467	2.6
171.04990	1.5
173.02945	18.8
173.04449	1.2
175.04510	2.3
179.01785	2.5
179.04047	0.7
184.04572	1.3
185.02939	31.5
186.03122	1.0
187.04440	4.4
191.03969	4.4
197.02940	11.1
199.04544	1.0
203.03975	15.4
204.04092	0.7
209.02925	1.2
215.03993	7.5
221.05084	1.9
227.03951	7.0
233.05057	0.8
239.03793	0.7
245.05042	100.0
246.05283	3.7
251.04346	1.5
257.04993	4.8
258.05515	0.5
263.06107	24.3
264.06290	1.1
275.03348	1.0
275.06113	12.5
276.06174	0.9
286.07697	0.7
290.62653	0.5
293.07132	4.6
305.07126	8.5
317.07303	0.7
335.08237	2.3
365.09277	5.2
425.10757	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	425.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14153	0.3
61.02922	2.5
63.02376	0.6
67.05522	0.4
68.99768	3.6
69.03430	1.8
70.76007	1.1
71.01372	0.4
78.04692	0.4
79.05472	0.3
81.03408	1.4
81.07042	0.6
83.08650	0.3
84.52705	0.3
87.00333	0.3
87.00810	1.3
89.03905	9.5
91.05478	1.1
93.07040	0.3
95.04958	0.4
95.08573	0.9
97.02881	0.4
103.05470	0.8
105.07057	0.5
106.04137	0.5
109.02863	3.3
109.10107	0.5
117.03360	28.2
118.89436	0.4
119.08607	0.5
119.18455	0.3
122.25717	0.4
123.04424	0.4
127.03893	1.1
129.01808	3.7
131.04903	0.9
133.10104	0.6
134.03600	1.7
135.04433	1.9
137.05969	1.0
140.75110	0.3
143.42867	0.3
145.02821	64.0
146.03151	1.0
147.02861	1.2
149.05957	9.0
150.16788	0.3
157.06548	0.6
160.05185	0.4
162.05421	0.3
163.03867	0.4
165.09045	0.6
172.05116	0.7
174.06720	0.5
175.07503	0.4
177.05440	100.0
178.05775	2.3
186.05472	2.1
187.07535	0.8
189.05432	0.7
195.06384	0.5
197.05899	0.5
199.07553	0.7
200.04620	0.4
201.05457	0.8
213.03767	0.4
215.07045	2.9
217.08588	0.8
233.08052	1.7
243.06456	1.9
245.08022	0.5
257.07980	1.7
261.07544	8.0
285.07443	2.4
303.08582	2.7
337.28732	0.4
425.10782	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	425.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.15551	0.2
59.86974	0.2
61.02916	3.4
63.02362	0.5
63.54190	0.2
66.00707	0.2
67.05494	0.4
67.58250	0.2
68.99783	4.5
69.03416	2.0
69.07056	0.3
81.03389	0.7
81.07040	0.5
87.00798	1.4
89.03905	7.8
91.05470	0.6
93.07021	0.5
95.04962	0.4
95.08566	0.5
96.95364	0.2
97.02864	0.3
97.63652	0.3
103.05460	0.6
106.04142	0.6
107.08614	0.3
109.02877	2.2
109.10117	0.4
117.03359	25.1
118.03696	0.3
119.08543	0.4
121.10100	0.4
123.11625	0.3
125.88116	0.2
127.03867	1.7
129.01810	4.5
131.04909	0.4
134.03575	1.1
135.04404	1.3
137.05956	0.6
145.02820	53.8
146.03149	1.2
147.02861	1.5
147.03940	0.3
149.05956	7.2
153.06923	0.2
158.05968	0.4
159.04308	0.4
161.05992	0.3
163.03947	0.5
165.09045	1.0
169.06390	0.4
177.05437	100.0
178.05774	2.5
186.05421	1.3
187.07487	0.6
189.05498	0.2
191.07037	0.3
195.06429	0.5
199.07495	0.5
201.05396	0.7
215.06963	1.3
217.08580	0.6
219.06429	0.7
220.07352	0.3
229.08661	0.3
231.06458	0.3
233.08020	1.0
243.06445	0.9
257.08047	0.7
261.07520	3.2
285.07480	1.4
303.08484	1.1
425.10803	3.2
425.37878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.5
53.03949	0.7
55.88465	0.4
61.02919	1.2
63.02370	0.7
67.05511	0.5
67.71655	0.4
68.99786	1.4
69.03431	1.4
69.07073	0.5
70.11683	1.6
81.03413	1.5
81.07039	0.7
86.65086	0.4
87.00807	0.7
89.03904	8.8
91.05485	1.0
93.07038	0.6
95.08557	0.8
103.05446	0.8
109.02883	4.2
117.03365	27.6
129.01808	1.5
129.06996	0.8
131.04921	0.7
134.03625	1.7
135.04396	1.4
137.05974	3.2
143.08601	0.5
145.02831	64.9
146.03133	1.3
147.02884	1.1
149.05949	8.5
155.04933	0.7
156.05623	0.6
157.06548	0.7
160.05179	0.6
161.05989	0.6
163.03810	0.6
165.09111	5.2
169.06488	0.8
171.08002	0.7
174.06592	0.6
175.07465	0.5
177.05444	100.0
178.05815	1.6
183.04350	0.7
185.05865	0.7
186.05490	1.5
187.07491	1.6
189.05383	1.5
189.09090	0.6
191.07077	0.6
197.05963	0.7
199.07518	1.1
200.04536	0.4
201.05429	1.7
215.07033	4.4
217.08545	2.0
229.05054	0.4
231.06367	0.8
233.08055	3.1
241.08562	0.7
243.06456	2.8
245.07938	0.6
257.07996	2.4
261.04907	0.7
261.07550	11.6
275.05383	0.7
283.20645	0.5
285.07520	3.6
287.01993	0.4
303.08563	2.9
407.09518	0.9
425.10379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94202	0.3
53.03932	0.7
59.84845	0.4
61.02923	1.2
63.02379	0.5
67.05491	0.4
68.99774	2.0
69.03417	1.6
69.45527	3.4
72.37804	0.3
78.04704	0.4
79.05486	0.4
80.80605	0.4
81.03417	1.2
81.07069	0.6
86.07326	0.3
87.00825	0.7
89.03904	10.0
89.04440	0.5
91.05461	0.6
93.07071	0.4
95.08609	0.7
97.02906	0.6
98.20734	0.8
100.23341	0.4
103.05468	0.6
109.02872	4.3
110.66757	0.3
117.03367	29.5
117.86383	0.4
124.05135	0.5
126.96184	0.4
127.03931	0.9
129.01814	1.7
129.07030	0.4
131.04955	0.7
134.03612	2.5
135.04414	1.8
137.06004	0.6
137.09579	0.5
141.06960	0.4
143.08496	0.4
144.05678	0.5
145.02831	60.8
146.03171	1.4
147.02853	1.0
149.05962	9.7
151.03886	0.5
153.07060	0.3
157.06505	0.6
163.03934	0.5
165.09094	2.3
169.06381	0.4
171.08052	0.6
172.05145	0.4
173.05998	0.5
174.06749	0.7
175.07579	0.6
177.05449	100.0
178.05801	2.1
186.05350	1.7
187.07516	1.4
189.05464	0.7
191.07047	0.4
197.05893	0.5
199.07497	1.4
200.04720	0.5
201.05418	1.2
209.05811	0.3
215.07027	3.7
217.08554	1.6
229.04875	0.5
229.08603	0.8
231.06442	0.6
233.08063	2.6
241.08560	0.5
243.06575	3.2
245.08029	0.8
257.08142	2.8
261.07556	11.8
285.07559	3.5
303.08533	2.9
312.99646	0.3
350.97266	0.4
394.42239	0.4
407.09543	0.5
425.10440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.53764	0.2
58.09676	0.2
61.02905	0.9
62.01579	0.2
63.02380	0.5
65.18913	0.2
67.05490	0.6
68.90768	0.2
68.99450	0.3
68.99767	1.5
69.03422	1.4
69.07076	0.4
69.29497	2.1
69.29915	0.7
71.01329	0.4
76.32111	0.2
78.07427	0.2
79.05482	0.6
81.03407	1.1
81.07054	0.8
83.04963	0.3
84.04493	1.4
85.02864	0.4
87.00818	0.7
89.03901	8.7
89.04462	0.5
90.22133	0.2
91.05463	1.4
93.07036	0.9
94.78515	0.3
95.04943	0.4
95.08579	0.4
97.02888	0.8
98.20830	0.6
98.21484	0.6
103.05456	0.8
105.03277	0.2
105.07015	1.0
106.07372	0.3
107.08588	0.6
109.02863	3.3
109.06465	0.3
109.10161	0.4
117.03362	25.9
117.07033	0.3
118.03703	0.4
119.08636	0.5
124.05119	0.4
127.03856	0.7
128.62231	0.3
129.01779	1.6
129.07039	0.6
131.04897	0.6
133.10110	0.4
134.03636	1.7
135.04388	2.0
137.05951	0.8
138.05534	0.3
139.05756	0.3
141.06953	0.4
143.07066	0.3
145.02821	60.7
145.10071	0.7
146.03148	1.2
146.10434	0.3
147.02823	0.7
147.04356	0.5
149.05945	9.1
151.03825	0.4
155.04820	0.4
157.06444	0.5
158.05997	0.3
159.11647	0.4
161.06075	0.4
163.03853	0.8
165.09082	0.9
165.54485	0.3
169.06471	0.3
172.05122	0.4
173.05994	0.4
177.05438	100.0
178.05792	2.7
181.06479	0.3
185.05969	0.4
186.05455	1.5
187.07538	0.8
189.05495	0.5
191.06985	0.5
199.07491	0.8
201.05402	0.9
213.03915	0.3
215.07037	2.7
217.08612	1.4
219.06500	0.5
228.04112	0.4
231.06453	0.7
233.08015	1.7
242.05676	0.5
242.24739	0.3
243.06441	1.9
245.08229	0.3
257.08102	1.3
261.04901	0.5
261.07547	7.9
285.07535	2.1
303.08530	1.6
321.09570	0.3
364.05585	0.5
369.09509	0.3
397.08881	0.3
425.10605	1.0
425.24982	1.6
449.64682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.05490	0.4
57.55376	0.2
61.02916	1.5
62.54342	0.2
63.02373	0.7
67.05490	0.7
68.99774	2.1
69.03423	1.9
69.07044	0.4
69.31155	2.8
71.01349	0.4
73.67556	0.2
78.04724	0.5
79.05470	0.5
81.03389	1.6
81.07049	0.8
81.81428	0.3
84.51634	0.3
85.02868	0.3
86.74151	0.2
87.00806	0.6
89.03900	9.3
91.05459	0.7
93.07031	0.9
95.04955	0.4
95.08591	0.8
97.02885	0.5
97.10159	0.3
103.05445	0.7
105.03411	0.4
105.06989	0.5
106.04160	0.6
107.04994	0.3
107.08590	0.7
109.02866	4.8
109.10144	0.8
117.03359	26.3
118.03656	0.3
119.08537	0.6
121.10120	0.8
123.04411	0.3
123.11681	0.5
127.03885	0.8
128.06236	0.3
129.01810	1.9
129.07001	0.6
131.04904	0.9
133.06512	0.3
133.10139	0.3
134.03577	2.1
135.04404	2.0
135.11639	0.3
135.36511	0.3
137.05933	0.7
141.06932	0.4
143.08540	0.5
144.05666	0.3
145.02820	62.2
145.10033	0.4
146.03171	1.1
147.02881	0.5
147.04291	0.3
147.11615	0.3
149.05957	9.0
149.13190	0.3
150.06317	0.3
151.03761	0.3
153.06927	0.4
155.04858	0.4
156.05666	0.6
156.39957	0.3
157.06459	1.1
158.05997	0.3
161.05957	0.6
162.03172	0.3
163.03847	0.8
163.07559	0.2
165.09131	1.5
169.06465	0.4
171.08044	0.5
172.05133	0.4
173.05940	0.4
174.06734	0.4
175.07574	0.3
177.05440	100.0
178.05821	2.6
179.03363	0.3
183.04430	0.4
184.05159	0.4
185.05952	0.5
186.05440	1.9
186.10312	0.3
187.06032	0.3
187.07431	1.3
189.05452	0.8
189.08998	0.3
195.06557	0.4
197.05960	0.5
199.07529	1.7
201.05518	1.4
203.17931	0.4
209.32643	0.3
211.03880	0.4
213.03923	0.4
214.06226	0.3
215.06984	3.8
217.05144	0.2
217.08644	1.5
219.06526	0.4
225.05362	0.5
229.04944	0.3
229.08543	0.4
231.06627	0.7
233.08026	3.0
241.08624	0.6
243.06514	2.8
245.08160	0.4
257.08063	2.2
261.07532	11.7
267.06384	0.3
285.07437	3.3
286.07846	0.4
295.94913	0.4
303.08582	3.0
304.09085	0.4
389.08609	0.3
394.95721	1.0
407.09555	0.9
424.36395	0.3
425.00433	2.2
425.10471	0.8
425.15698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97586	0.4
58.04747	0.6
60.93897	0.5
61.02912	3.2
61.98606	0.5
63.02349	0.8
68.99784	4.9
69.03416	1.4
70.87968	1.0
70.88284	0.6
72.63212	0.5
76.61408	0.5
78.04695	0.5
81.03395	1.6
81.07045	0.6
84.04494	0.6
87.00804	1.5
89.03899	7.8
91.05482	0.8
95.04972	0.6
98.20762	0.6
103.05466	1.1
105.07048	0.8
109.02839	2.3
117.03363	22.0
127.03880	1.3
129.01828	4.4
131.04890	1.5
134.03638	1.7
135.04393	1.4
137.05994	1.1
138.05534	0.6
143.08508	0.6
145.02823	53.1
146.03152	1.0
147.02856	1.5
147.04355	0.5
149.05960	8.1
158.05951	0.6
163.03903	0.7
177.05447	100.0
178.05782	2.4
183.18819	0.5
186.05449	1.4
204.58553	0.6
215.05023	0.5
215.07043	2.0
217.08498	0.7
229.08424	0.7
233.08159	0.9
241.43596	0.6
243.06485	1.3
257.07928	0.6
261.07513	4.5
285.07471	0.9
303.08685	1.2
385.87387	0.5
397.08801	0.6
402.24402	0.6
425.10913	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01859	0.4
55.05526	0.4
55.70763	0.3
57.03473	0.3
58.41927	0.3
61.02913	2.0
61.58397	0.3
63.02402	0.5
67.05508	0.7
68.99783	2.5
69.03419	2.0
69.07067	0.3
69.55846	1.9
79.05496	1.0
81.03431	0.8
81.07043	0.9
83.04955	0.3
83.08601	0.3
84.04523	0.7
85.02901	0.8
87.00821	0.7
89.03905	6.9
91.05463	1.2
93.07046	1.1
95.04967	0.7
95.08602	0.5
97.02898	1.0
97.06519	0.9
98.20674	0.3
103.05437	0.6
105.07020	1.1
106.04164	0.4
107.08577	0.7
109.02876	2.0
111.04383	0.3
117.03362	22.4
117.07018	0.4
118.03725	0.8
119.08574	0.5
121.06508	0.5
121.10181	0.7
127.03922	1.3
127.99111	0.3
129.01839	1.6
129.06987	0.5
131.04919	0.6
131.08554	0.4
134.03610	1.4
135.04399	1.4
137.05981	1.1
138.05484	0.3
141.07036	0.3
143.08543	0.4
145.02831	53.3
145.10098	0.5
146.03181	1.2
146.36336	0.4
147.02855	0.8
147.04338	0.6
147.11679	0.4
149.05956	7.3
157.06473	0.5
157.10127	0.5
158.05882	0.3
163.03926	0.7
165.09079	0.7
171.08109	0.4
175.07478	0.3
177.05449	100.0
178.05757	2.3
185.06038	0.3
186.05492	2.0
187.07506	0.7
189.05380	0.5
199.07489	1.0
201.05420	0.7
207.06441	0.5
215.07008	1.6
217.08505	0.9
219.06372	0.5
225.05360	0.4
229.08473	0.6
231.06444	0.4
233.08058	1.1
243.06454	1.2
257.07950	1.1
261.07568	5.2
279.10397	0.3
285.07480	1.5
291.06253	0.4
293.07904	0.4
303.08560	1.1
333.13785	0.4
353.10089	0.5
364.05618	1.0
376.36288	0.4
379.08096	0.9
381.09628	0.4
397.09012	1.2
425.10684	2.1
425.26721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	12.6
65.88529	0.4
69.83677	1.3
69.84111	1.1
70.24430	0.3
71.95259	0.5
74.01879	0.4
74.97604	0.4
80.27278	0.3
84.96022	6.4
98.97565	55.2
100.32458	0.4
102.97049	0.4
110.97543	12.7
112.99103	1.8
116.98601	20.0
124.99054	2.9
126.97028	0.7
128.98589	13.8
131.00166	2.6
134.99640	3.4
140.00125	0.7
140.98564	4.1
143.00133	11.2
144.98080	2.6
146.99629	5.4
149.01216	2.4
152.98566	12.3
155.00117	0.9
156.51314	0.4
158.99623	10.5
161.01183	6.8
161.02650	0.5
161.03014	0.5
162.99173	1.5
165.00691	0.5
167.00169	0.4
170.99614	13.0
173.01198	1.0
174.99147	0.6
177.00679	6.8
179.02237	0.8
182.99637	0.6
185.01224	1.1
185.02942	0.9
189.00673	6.5
191.02211	0.7
195.01746	1.2
201.00632	3.6
203.02257	0.7
207.01805	0.8
213.00671	1.0
219.01723	26.3
231.01778	0.7
233.03259	11.6
237.02777	33.4
238.03122	0.7
242.03366	0.5
245.05035	1.1
251.04346	100.0
252.04747	1.8
255.03851	2.2
260.04645	0.8
260.28613	0.3
269.05386	25.7
270.05713	0.5
274.05930	2.6
281.05072	0.4
292.06909	0.8
293.05435	0.5
305.05359	0.4
307.06833	1.2
317.05389	0.6
329.05472	0.4
335.06396	0.8
347.06415	1.8
365.07486	77.1
366.07657	2.8
383.08554	26.2
384.08945	0.8
406.10043	1.8
406.65363	0.4
425.09653	7.6
425.22672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.61712	0.3
59.83907	0.3
61.02913	1.3
63.02389	0.8
67.05505	0.3
68.99778	1.9
69.03429	1.7
69.07055	0.6
70.10951	1.5
75.06660	0.3
79.05502	0.3
81.03427	1.5
81.07032	0.5
85.02936	0.4
87.00795	0.4
89.03909	9.1
91.05463	1.1
93.07011	0.7
95.04945	0.6
95.08594	0.7
97.02885	0.6
103.05463	0.5
106.04171	0.4
107.08568	0.4
109.02864	5.0
109.10129	0.5
117.03365	25.8
117.07016	0.4
117.91148	0.3
118.03736	0.5
119.08620	0.3
127.03902	0.8
129.00993	0.3
129.01796	2.0
129.06985	0.4
129.16977	0.3
131.04918	0.6
131.08484	0.3
133.10168	0.3
134.03583	2.1
135.04417	1.6
135.11679	0.4
137.05977	0.6
144.05730	0.4
145.02829	59.7
145.10089	0.4
146.03151	1.4
147.02835	1.0
149.05963	8.9
151.03888	0.6
155.04901	0.5
157.06470	0.7
158.06020	0.4
161.05951	0.4
163.03912	0.3
165.09079	2.0
169.06393	0.4
171.08058	0.5
174.06743	0.5
175.07547	0.5
177.05446	100.0
178.05775	3.2
179.03343	0.3
183.04347	0.6
184.05156	0.5
185.05916	0.6
185.12762	0.3
186.05472	1.7
187.07491	0.9
187.11064	0.3
189.05447	0.8
189.09113	0.6
199.07516	1.3
200.04616	0.4
201.05450	1.1
203.10666	0.6
213.03815	0.7
215.07022	3.8
217.08583	1.8
225.05438	0.4
229.08591	0.3
231.06479	1.0
233.07997	2.5
241.08655	0.5
243.06487	2.4
245.08023	0.4
256.19388	0.3
257.08112	1.9
261.04907	0.6
261.07574	9.7
285.07559	2.9
291.08432	0.3
303.08575	2.5
304.81195	0.3
364.28302	0.4
365.28308	0.3
406.78403	0.3
407.09726	0.6
424.30362	0.4
425.10724	1.2
425.30371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66366	0.7
55.01854	1.9
55.05499	8.2
56.88642	0.8
57.02127	1.0
57.03435	1.0
57.07055	2.0
61.02914	1.6
63.02349	1.1
67.05497	10.9
68.05835	1.2
68.99773	1.9
69.03413	3.2
69.07055	12.4
70.06580	3.4
71.00095	1.1
71.00452	2.3
71.08645	1.0
72.08135	1.4
79.05469	6.2
80.05820	1.0
81.03390	2.4
81.07039	17.0
82.06545	3.2
82.07380	1.5
83.04955	2.0
83.08597	7.7
84.04492	1.8
84.08126	2.2
85.06525	1.8
86.06050	13.8
89.03888	7.1
91.05460	6.3
93.07029	13.3
94.07355	1.2
95.04938	2.2
95.08587	13.5
96.08115	12.4
96.08794	1.4
97.02900	1.5
97.06517	2.4
97.10138	1.4
98.06030	4.1
98.09667	2.5
99.04429	3.2
99.84730	0.9
105.06996	6.5
107.08572	12.9
108.08116	2.2
108.08905	2.3
109.02849	2.1
109.06516	1.8
109.10126	7.7
110.09653	5.5
110.10450	2.5
111.08062	1.8
114.09137	1.4
116.10677	4.4
117.03352	21.9
117.06962	2.2
119.08553	5.9
120.08859	1.8
121.10095	8.0
122.09663	1.6
122.10448	2.2
123.08012	1.6
123.11686	4.0
124.07598	4.6
124.11217	3.9
127.03893	1.2
127.72146	0.8
129.01859	1.4
131.08540	2.4
132.08951	1.0
133.10112	4.8
134.03560	1.9
134.10442	1.4
135.04320	1.9
135.11670	3.0
136.11107	1.2
136.12022	2.0
137.09622	1.6
137.13205	1.9
138.09113	1.2
141.27818	0.9
142.08611	10.4
143.08502	1.3
145.02817	44.3
145.10130	3.1
147.11665	2.2
148.12041	1.6
149.05943	6.8
149.13229	5.1
151.11134	2.5
152.10686	1.3
154.12242	1.1
159.11678	2.6
161.13179	1.5
163.03879	10.3
165.09064	7.8
166.09471	1.1
166.15889	20.8
169.12233	6.3
171.11676	1.0
173.13220	1.3
175.14900	1.1
176.07855	0.9
177.05437	89.4
185.06088	1.0
186.05414	1.5
189.16299	1.2
190.16852	1.4
191.17926	1.4
192.18309	1.8
194.15379	2.7
201.16399	1.2
203.10783	1.2
207.06468	9.7
210.18542	2.5
212.16415	70.8
213.16751	2.3
215.07036	2.0
215.10530	1.1
215.17950	1.9
216.18117	1.1
220.17679	1.1
233.08073	1.7
233.19019	1.5
234.19156	1.2
238.17963	44.6
239.18217	1.9
243.06419	1.5
244.22639	4.9
256.19040	100.0
257.08035	1.4
257.17352	3.3
257.19482	2.8
261.07538	5.7
303.08856	0.9
310.23642	1.7
313.42444	1.1
363.25235	3.7
364.24463	1.1
406.29593	5.1
406.34451	1.2
424.30884	56.5
424.36386	5.2
425.10712	2.6
425.16144	1.8
425.30927	3.3
444.78369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26803	0.1
55.01862	0.3
55.05481	0.1
56.05005	0.2
56.96556	15.3
57.03429	1.3
58.06593	10.3
59.05010	0.2
61.02917	0.9
68.96541	0.3
69.03416	3.3
70.06564	0.2
70.98109	0.6
71.04975	0.3
71.33018	0.2
71.63113	0.3
71.63492	0.2
71.95249	0.6
72.08149	0.2
73.02903	1.0
74.97598	0.6
75.04472	0.2
78.54941	0.1
80.05020	0.2
81.03405	0.9
81.07043	0.2
82.32703	0.1
83.04941	0.2
84.04492	0.2
84.07734	0.1
84.08128	4.4
84.96021	7.4
85.02894	3.3
86.06026	0.2
86.97579	0.2
87.04469	1.5
88.07614	1.0
88.99131	0.5
91.03951	0.3
94.98111	0.2
95.08578	0.1
97.02306	0.2
97.02879	2.8
97.06481	0.2
97.96811	0.4
97.99235	0.2
98.09695	1.1
98.97569	52.2
99.04420	0.5
100.07602	0.2
100.99105	0.4
101.00873	0.9
101.02324	0.2
102.00958	0.2
102.97059	0.9
103.02423	0.3
109.02856	0.4
110.97552	11.3
112.05061	0.4
112.99122	2.5
114.51728	0.2
115.02431	0.4
115.03913	0.6
115.97806	0.2
116.98605	25.8
119.00125	0.3
119.01903	2.3
120.02002	0.5
122.97585	0.3
124.95396	0.2
124.99086	2.4
126.09160	0.1
126.97042	0.6
127.00698	0.2
127.02364	0.3
127.03899	0.6
128.98589	15.6
129.03978	0.2
131.00157	3.6
131.01817	0.8
132.10199	1.2
133.01678	0.2
133.03461	0.8
133.04942	0.5
134.03566	0.2
134.99638	6.9
135.03201	0.3
136.07558	0.2
137.09656	0.2
139.00612	0.2
140.00169	1.1
140.98569	3.4
142.96527	0.2
143.00143	11.3
143.01796	1.7
144.01938	0.2
144.10158	0.2
144.98065	2.7
145.01668	0.4
145.03430	1.7
145.04512	0.2
145.05052	0.2
146.01471	0.2
146.03557	0.6
146.99632	9.4
147.03204	0.2
147.05077	0.2
149.01212	4.9
149.02982	0.2
151.04459	0.2
152.00137	0.4
152.98570	10.7
153.00665	0.6
155.00140	0.6
155.01895	1.0
156.02090	0.3
156.13823	0.3
156.98022	0.3
157.01704	0.4
157.03456	1.0
158.01202	0.3
158.03590	0.4
158.99631	10.5
159.03214	0.3
160.00290	0.2
161.01207	9.5
161.02921	3.3
162.03026	0.3
162.99124	2.7
163.02841	0.2
163.04510	0.3
165.00690	1.4
165.10262	0.1
167.00191	0.2
167.02254	1.3
169.01805	0.2
169.03510	0.4
170.01202	0.3
170.03664	0.2
170.99625	14.5
172.05185	0.2
173.01213	1.7
173.02951	1.8
174.03105	0.5
174.99092	0.8
175.02834	0.3
175.04489	0.5
176.04599	0.2
177.00691	8.8
179.02257	1.5
182.03029	0.5
182.11801	0.4
182.15396	0.3
182.99609	0.8
183.03221	0.2
184.02837	0.3
185.01212	1.3
185.02953	2.3
186.03102	0.5
186.99161	0.4
187.02719	0.5
187.04498	0.6
188.04724	0.2
188.12787	3.9
188.97073	0.3
189.00679	8.0
190.98613	0.3
191.02263	0.9
191.04033	0.4
193.00214	0.8
194.01204	0.3
194.99883	0.3
195.01753	1.0
197.01228	0.3
197.02925	0.9
200.02365	0.4
200.04198	0.3
200.12781	1.0
200.16460	0.5
201.00671	3.3
201.02446	0.3
201.06018	0.3
203.02200	0.8
203.04007	1.0
205.00151	0.2
205.03899	0.2
207.01740	1.3
208.04848	0.2
209.03044	0.2
212.02269	0.3
213.00697	1.0
215.02182	0.2
215.03963	0.4
217.03720	0.2
217.05586	0.3
218.03468	0.2
218.05765	0.3
218.17470	0.7
219.01736	22.9
221.03249	0.4
221.05083	0.3
222.05339	0.3
223.04790	0.3
227.04039	0.6
231.01746	0.7
231.07281	0.2
233.03273	10.8
235.06703	0.4
236.06985	0.4
237.02785	35.3
238.02827	0.2
241.03758	0.2
242.03342	0.9
244.15491	0.4
245.02759	0.3
245.05066	4.8
246.05128	0.2
247.01263	0.3
249.02876	0.4
251.04350	97.3
253.04765	0.3
254.07797	0.4
255.01654	0.2
255.03860	1.8
255.07401	0.3
259.04846	0.2
260.00433	0.2
260.04398	0.9
261.03455	0.3
262.16449	6.8
263.06439	1.1
265.05838	0.3
267.03937	0.2
269.05402	21.9
271.48468	0.2
274.05948	4.4
275.06113	0.6
277.07736	0.3
278.07858	1.3
279.03870	0.4
279.07565	0.6
281.05414	1.2
291.03989	0.3
292.06796	1.2
292.09726	0.2
293.05200	1.3
295.06732	0.3
305.05511	0.6
307.06967	1.5
309.04816	0.2
311.06442	0.9
317.05453	0.9
319.08679	0.4
321.10455	0.8
329.05548	0.4
335.06302	1.4
337.07986	0.4
347.06519	1.5
348.08585	0.3
349.09586	0.6
350.10150	0.2
350.18045	4.5
357.08774	0.2
364.08551	0.3
365.07504	100.0
376.07855	0.5
383.08560	25.0
392.07336	0.8
393.07251	0.3
406.10168	4.6
424.21732	37.6
425.09821	15.3
425.21808	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01861	2.3
55.05507	19.8
55.83953	1.6
57.03418	3.9
57.07053	4.7
58.84798	1.5
59.04991	3.9
65.03934	3.5
67.05498	100.0
68.05808	2.0
69.03410	2.3
69.07055	26.2
70.06561	2.0
71.04980	6.0
71.63809	2.5
74.69883	1.6
79.05084	2.6
79.05488	30.3
81.03423	1.7
81.07048	74.9
82.07362	2.2
83.04954	7.1
83.08612	16.5
84.04493	2.0
85.06515	4.6
91.05465	29.1
93.07036	55.6
95.04942	6.2
95.08596	72.4
95.09206	3.8
97.06512	7.4
97.10149	5.9
99.08063	2.8
103.05490	2.1
105.06344	2.6
105.07019	41.6
106.07345	2.4
107.08582	54.4
109.06481	4.5
109.10143	84.7
110.10455	2.3
111.08053	7.5
117.07001	6.5
119.08562	43.8
121.06445	1.8
121.10125	38.9
123.08068	3.9
123.11681	17.4
125.06016	1.8
125.09573	3.6
129.06982	2.6
131.08560	23.2
133.10117	30.4
135.08028	2.2
135.11674	27.2
137.02335	4.1
137.09601	5.8
137.13222	8.8
139.11215	2.9
143.08524	5.6
144.09325	1.9
145.10114	31.4
147.11681	16.4
149.02325	2.7
149.13228	26.6
150.13547	2.1
151.14851	2.1
155.08568	2.2
155.10628	2.6
156.09341	2.4
157.10207	8.4
157.11340	2.0
159.11667	38.1
161.13234	17.3
163.03935	2.2
163.11169	2.9
163.14787	8.1
165.09103	16.5
171.11676	6.1
173.11722	13.5
173.13229	19.6
175.14818	18.3
177.12682	3.9
177.16356	5.9
183.11684	3.3
185.13200	4.8
187.03801	3.3
187.14876	12.3
189.05392	2.8
189.12802	2.2
189.16351	16.0
190.16685	1.7
191.14244	5.0
191.17926	24.8
193.15863	3.3
195.13818	5.1
199.14799	6.0
201.16374	11.8
203.14326	2.8
203.17923	11.0
204.40747	1.8
205.12267	1.8
205.15794	4.6
205.19412	9.5
211.14778	2.4
213.16412	3.9
215.10669	2.3
215.17915	24.5
216.18109	1.8
217.15910	3.8
217.19415	7.8
219.17384	10.3
227.17873	2.6
229.19427	5.9
231.17343	2.8
231.21013	2.9
233.18976	29.8
243.20964	3.1
245.22574	4.6
255.20990	3.3
257.19168	1.7
269.22672	2.9
285.03900	2.1
285.21994	2.8
286.04660	6.6
287.05347	2.7
287.24066	1.9
295.24258	1.8
297.25946	2.1
326.23187	2.0
405.25342	3.0
405.35086	5.9
423.14560	12.7
423.27451	28.4
423.36258	40.9
424.27243	4.7
424.36578	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.05499	14.6
57.07066	6.0
66.91370	2.0
67.05493	29.3
69.07056	20.0
71.04993	2.1
71.08639	2.1
78.01218	1.8
79.05486	19.7
81.07041	65.3
82.07378	2.0
83.04987	2.9
83.08621	10.5
84.04454	2.2
91.05473	19.5
93.07026	49.7
95.04920	3.7
95.08590	100.0
96.08912	3.1
97.02845	2.0
97.06515	5.9
97.10143	5.9
98.21567	3.8
103.05460	2.4
105.07009	54.4
107.04932	2.3
107.08575	69.6
109.06496	5.5
109.10142	58.5
110.10462	2.5
111.08054	2.7
111.11697	2.3
112.98321	1.6
117.06999	8.0
119.08561	74.4
120.08928	2.7
121.06512	4.0
121.10124	47.4
123.08041	4.0
123.11684	25.7
125.09598	9.2
128.06215	2.2
129.06970	2.9
131.08545	23.4
133.10107	40.4
133.11040	3.5
134.00044	1.9
135.11671	35.2
136.12097	1.7
137.09622	3.3
137.13254	16.2
138.05466	2.1
139.11188	2.3
139.82037	1.8
143.08554	9.1
144.09261	3.1
145.10095	40.6
147.11671	24.6
148.12038	2.4
149.13229	24.2
151.14807	2.9
157.10075	12.1
158.10901	3.4
159.11662	48.3
160.12138	3.4
161.09592	2.2
161.13220	30.2
163.03831	1.9
163.11232	2.1
163.14769	10.4
165.09151	3.5
169.10088	3.2
171.11678	6.3
172.12413	1.9
173.13237	25.1
175.14804	24.2
176.15164	1.7
177.12720	2.6
177.16315	11.4
179.14185	2.4
183.11685	2.5
185.13165	8.5
186.13907	2.3
187.14792	14.0
189.16348	18.4
191.14293	4.8
191.17896	39.8
192.18283	3.1
193.15883	4.7
197.13229	3.5
199.14838	6.1
201.16322	16.9
203.14287	3.1
203.17897	13.2
205.15889	6.9
205.19536	11.1
211.14697	2.7
213.16376	6.7
215.17915	32.7
215.19814	2.7
217.15958	2.4
217.19530	9.5
219.17383	14.2
227.17966	5.5
229.19591	8.2
231.17448	6.4
231.21085	4.6
233.18962	38.0
241.19519	3.9
243.17290	2.2
243.21138	6.9
245.19090	2.1
245.22708	4.1
253.19655	2.3
255.21106	5.1
257.22653	3.8
267.21161	2.5
269.22714	5.0
271.24277	2.6
273.21970	3.0
285.22211	4.6
293.09610	2.1
297.25784	2.9
303.93448	2.1
365.31244	1.8
381.31305	1.8
394.09238	10.6
405.35110	10.3
408.10831	2.3
423.36200	69.3
423.41858	3.5
424.13852	28.0
424.36539	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.9
55.01857	2.8
55.05508	30.2
57.03411	2.8
57.07051	10.3
58.59962	2.4
59.04982	5.1
64.08540	2.2
65.03931	3.1
67.05495	100.0
68.05802	2.1
69.07054	42.4
70.06574	3.9
71.04970	3.7
71.08619	3.6
71.15483	4.9
72.77260	2.3
79.05482	32.5
81.03394	3.2
81.07047	94.8
82.07328	3.2
83.04955	5.7
83.08605	18.3
85.06514	7.0
86.06052	10.6
86.06503	2.2
87.98068	2.3
91.05469	32.2
91.52818	2.1
93.07035	63.2
94.07342	2.2
95.04946	9.1
95.08598	93.1
95.09215	5.6
96.08113	7.3
97.06496	10.4
97.10152	6.1
98.06008	2.5
99.08051	4.0
99.91995	2.3
103.02549	2.2
105.06347	4.0
105.07019	52.5
107.08580	79.0
109.06501	7.1
109.10143	79.4
110.09672	3.9
110.10474	2.5
111.08059	6.9
111.11698	3.1
112.50060	2.1
116.10706	4.1
116.84100	2.1
117.07011	10.8
119.08565	68.1
121.06515	3.0
121.09290	4.2
121.10137	60.0
123.08112	4.5
123.11694	26.6
125.09606	3.9
128.71112	2.6
129.06992	5.3
130.07796	3.0
131.08551	25.0
133.10117	44.0
135.08072	2.9
135.11664	32.5
137.09598	7.9
137.13216	18.0
141.51765	2.7
142.08618	5.7
142.88448	2.3
142.92528	2.3
143.08498	10.3
145.10107	41.6
147.04341	2.2
147.11687	32.1
149.09546	3.9
149.13240	34.7
151.07451	3.0
151.11143	5.4
154.12282	2.7
157.10051	9.6
158.10814	3.7
159.11674	41.8
161.09544	3.9
161.13242	24.7
163.03864	9.2
163.11165	5.6
163.14771	9.2
165.09090	58.6
165.12769	4.8
166.15970	11.8
166.17191	2.3
169.10106	3.9
169.12216	5.8
171.11659	10.1
173.11707	9.7
173.13228	23.0
175.14830	27.1
177.12706	6.3
177.16397	6.6
179.14288	2.9
183.11635	3.9
185.05902	2.8
185.13245	8.6
187.11147	2.7
187.14813	17.5
189.16344	16.0
191.14236	4.3
191.17926	25.2
193.15891	3.8
195.13771	5.6
199.14806	8.4
201.16315	20.6
203.10599	2.8
203.14404	4.3
203.17970	18.1
205.12173	5.6
205.15767	3.8
205.19461	3.9
207.06508	9.0
207.17403	3.7
212.16432	45.5
213.16342	6.4
215.17943	29.8
216.18173	2.4
217.19398	7.1
219.17482	10.3
225.16446	3.0
227.17841	5.6
229.12190	4.4
229.19473	4.9
231.17448	3.8
231.20972	5.7
233.18962	33.2
238.18019	26.5
241.19492	4.1
247.20573	3.2
253.19383	3.5
255.21039	5.1
256.19064	53.5
267.21146	5.5
269.22623	4.2
299.23663	2.5
363.24814	3.2
389.59628	2.4
405.35208	10.6
406.29666	3.4
423.14560	5.0
423.27652	21.9
423.36447	56.0
424.30966	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	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54493	1.9
53.03931	2.1
55.05498	13.0
57.07064	4.5
67.05495	26.5
67.37241	2.0
69.07060	22.1
79.05489	23.2
79.69511	1.9
81.07047	67.0
83.04989	3.6
83.08615	13.6
84.04488	3.8
91.05451	16.9
93.07030	44.0
95.04942	4.8
95.08592	100.0
97.02858	2.4
97.06515	6.4
97.10158	7.7
105.07018	61.9
105.07742	3.0
107.08580	60.2
109.06513	5.0
109.09424	3.7
109.10145	62.2
110.10439	3.2
111.08054	3.1
115.51113	1.9
117.06969	6.6
119.08566	66.4
121.10129	49.6
122.10385	2.4
123.11693	22.5
125.09648	4.5
129.06982	4.4
131.08553	20.9
133.10115	38.6
135.11682	34.9
137.13246	16.8
143.08549	7.8
144.09358	4.2
145.10109	39.4
147.04364	2.5
147.08011	2.8
147.11674	33.4
149.13231	29.4
151.11180	2.6
151.14784	2.1
157.10092	11.5
158.10893	4.0
159.11670	52.4
160.12469	2.9
161.13243	25.8
163.14833	10.2
165.09056	2.7
169.10052	4.5
171.11693	10.3
173.09720	2.7
173.13219	22.3
175.14832	26.0
177.12730	4.2
177.16388	11.9
179.14314	2.6
183.11697	3.4
185.13275	10.6
187.14798	17.4
189.16374	25.7
191.14290	6.2
191.17938	37.7
193.15866	4.7
197.13249	4.7
199.14836	8.1
201.16299	18.3
203.14238	2.6
203.17924	16.2
205.15741	5.0
205.19473	15.4
207.17482	2.4
211.14886	3.1
213.16364	6.9
215.10587	2.2
215.17943	38.2
217.15883	5.9
217.19595	9.9
219.17404	13.4
225.16368	3.8
229.15771	3.1
229.19569	5.9
229.24745	2.0
231.17442	4.4
231.21031	5.2
233.18983	34.4
241.19313	4.1
243.17432	3.7
243.21069	7.1
245.19119	3.6
245.22623	3.9
253.19493	3.1
255.21083	8.1
257.22580	4.4
269.22610	5.3
271.20779	3.1
271.24182	2.7
273.22217	3.7
285.22223	4.5
297.25598	2.7
299.23743	3.0
340.28864	2.7
390.71475	2.2
405.35202	12.4
423.36182	81.0
424.36493	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.01870	1.8
55.05505	18.7
57.03432	2.1
57.07076	8.4
59.04983	3.1
65.03934	4.0
67.05496	95.7
68.05820	3.3
69.03419	1.6
69.07060	22.0
69.36713	5.3
69.37140	10.6
70.06559	2.0
71.04974	3.1
79.05479	31.0
81.03426	2.1
81.07044	85.7
82.07369	2.1
83.04971	8.0
83.08606	18.1
85.06524	3.2
88.07631	2.0
91.05468	26.3
91.55700	1.3
93.07034	54.8
94.07358	2.4
95.04949	6.8
95.08593	100.0
96.08943	2.3
97.06517	6.8
97.10155	5.5
98.21461	2.8
99.08101	2.8
105.04462	1.6
105.07013	30.5
107.08579	63.3
109.06506	6.3
109.10140	84.5
110.10470	3.7
111.08070	8.4
111.11681	2.3
117.06998	7.9
119.08565	31.3
121.06471	2.2
121.10126	50.1
121.10986	3.0
122.10427	1.6
123.04369	1.9
123.08043	4.1
123.11685	26.5
125.09619	7.2
128.06203	1.9
128.07109	1.6
129.06993	1.6
131.08582	12.3
133.10110	62.3
134.10477	2.1
135.08136	2.0
135.11665	30.9
136.11993	1.5
137.09579	6.5
137.13229	23.3
142.07712	1.9
143.08508	4.9
144.09290	2.1
145.10109	23.0
147.11662	20.5
149.02333	5.5
149.09628	2.0
149.13243	35.4
150.02699	3.8
151.11168	3.3
151.14801	4.0
155.08557	2.4
157.10175	7.2
159.11671	28.9
160.12236	1.7
161.13264	11.7
163.11180	2.8
163.14818	10.8
165.09148	2.5
169.10060	2.3
170.10863	2.1
171.11699	6.5
173.11719	13.4
173.13269	12.6
175.14827	12.6
177.12723	5.7
177.16397	4.6
179.14334	6.1
183.11720	3.4
185.13223	5.8
187.14777	8.3
189.16333	9.9
191.14273	2.3
191.17924	26.8
193.05022	7.5
194.05293	4.3
195.13803	5.4
197.13269	3.4
199.14807	16.9
201.16321	13.3
203.17966	5.5
205.19508	3.7
211.14816	3.0
213.16428	3.2
215.17911	25.2
217.19473	3.6
219.17441	5.1
226.48775	1.5
231.21056	3.8
233.18996	16.5
241.19553	1.9
243.21040	2.9
245.22641	4.2
255.20973	3.1
256.26334	1.8
257.22614	3.5
257.26636	2.4
267.21133	5.8
269.22714	1.9
271.20654	2.2
271.24319	1.7
273.22131	4.4
285.22110	9.9
287.23407	2.1
299.23599	3.0
309.45593	1.5
331.22369	1.9
335.27405	2.3
337.28882	2.0
405.35107	10.3
406.35501	1.8
423.27139	22.9
423.36160	45.9
424.27612	3.7
424.36523	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.00292	1.1
53.03933	2.4
55.01861	1.2
55.05500	18.8
55.87013	1.0
57.03417	2.1
57.07065	12.9
59.04975	2.0
65.03909	3.3
67.05494	89.1
68.05819	2.3
69.03434	1.2
69.06696	2.0
69.07057	29.3
70.04809	4.7
70.05176	1.8
71.04965	3.5
71.08604	1.6
73.02878	1.2
75.85644	1.3
79.05482	28.9
81.07040	88.6
83.04942	5.1
83.08607	16.5
85.06519	3.6
91.05466	22.1
93.06438	2.3
93.07030	46.0
95.04939	4.2
95.08589	100.0
96.08926	2.8
97.06518	7.3
97.10138	3.5
99.08057	2.7
103.05449	1.4
105.07008	31.2
106.07281	1.1
106.87866	1.0
107.08576	50.5
108.08904	2.0
109.06506	3.1
109.10136	70.2
110.10451	2.9
111.08040	6.0
111.11687	1.8
117.07003	8.0
119.08557	54.2
120.08906	2.4
121.10119	42.4
123.08029	3.0
123.11679	20.3
123.46857	1.1
124.11998	1.6
125.09621	3.1
129.06992	4.3
129.16963	1.1
131.08546	24.0
133.10104	35.1
135.11664	29.7
137.09645	2.6
137.13232	35.5
138.13541	1.4
139.11162	16.7
143.08542	7.7
144.09300	3.1
145.10091	23.8
147.11661	23.2
149.13228	32.9
150.13625	1.4
151.11154	1.4
151.14798	2.7
155.08549	2.2
155.10600	2.1
156.09337	1.4
157.10124	8.0
158.10922	1.3
159.11664	37.1
160.12350	1.3
161.13226	24.1
163.11195	2.5
163.14767	8.4
165.09065	1.1
165.12746	3.0
165.16295	1.2
167.07106	1.1
169.10132	4.1
171.11620	7.9
172.12445	1.3
173.11717	10.6
173.13249	18.0
175.14799	29.1
176.15108	1.1
177.12741	4.3
177.16356	19.8
179.14285	2.0
183.11723	3.6
185.13251	8.6
186.13895	1.8
187.14803	15.1
188.15167	1.0
189.16357	21.7
191.14261	3.3
191.17900	15.5
193.15877	1.7
195.11626	1.2
195.13786	4.0
197.13213	2.9
199.14766	7.6
201.16333	17.6
203.14316	1.2
203.17917	16.1
205.15857	4.2
205.19408	2.3
211.14767	3.0
213.16341	6.1
215.17918	42.1
216.18204	2.1
217.15794	3.0
217.19516	8.8
219.17409	8.4
219.21124	2.3
223.14806	1.1
225.16344	4.3
227.17999	8.8
229.19533	6.5
231.17520	1.9
231.21065	1.7
233.18999	4.6
239.17897	2.9
241.19463	5.2
243.21097	4.7
245.18942	10.2
245.22675	2.4
251.17900	1.2
253.19518	3.1
255.21053	8.4
257.19028	2.1
257.22672	3.0
259.20535	2.1
267.21109	4.8
269.22604	3.6
271.20551	3.7
271.24167	3.4
273.22122	6.0
281.22623	3.0
283.16861	1.4
283.24060	2.0
285.22076	3.4
285.25421	2.0
287.23782	1.5
295.24152	1.2
299.23724	5.6
313.24759	1.3
323.27356	1.5
365.32007	4.2
380.30731	1.1
381.31564	1.4
405.35162	13.4
406.35617	1.5
423.27304	22.6
423.36172	45.7
424.27655	3.2
424.32181	1.3
424.36517	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.7
55.10704	1.5
57.07066	5.6
59.49543	1.3
65.03924	1.6
67.05497	12.5
69.07058	9.9
71.04996	1.8
71.08624	4.7
71.64030	2.2
79.05481	5.8
81.03422	1.7
81.07042	19.8
83.04980	2.1
83.08600	2.2
85.06525	3.8
91.05473	5.2
93.07021	8.4
95.04962	1.8
95.08600	15.3
97.06477	1.7
97.10159	2.0
99.08080	2.5
105.07011	8.6
107.08597	9.6
108.54678	1.5
109.06509	24.2
109.10147	7.8
109.19802	1.6
111.08104	2.4
119.08575	6.9
121.10135	7.2
123.08058	33.6
123.11714	2.1
125.09628	1.5
131.08562	3.0
133.10149	4.5
135.08020	9.2
135.11671	4.2
137.09644	3.0
145.10126	3.3
147.11719	4.3
149.09593	3.3
149.13292	1.9
153.19133	1.3
159.11696	3.1
161.13249	1.5
165.12672	2.2
175.14755	1.7
179.14288	92.7
191.14362	1.8
193.15877	3.5
196.66615	1.7
205.15942	3.5
263.20081	1.4
275.20151	1.8
290.69089	1.7
303.27087	2.9
331.26273	33.8
331.29980	2.4
332.26541	2.3
349.27359	10.0
405.30099	2.5
423.31049	100.0
424.31424	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	423.3614
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.38828	3.0
55.05486	11.2
55.86100	2.5
57.07053	6.2
61.45978	2.6
67.05496	15.2
67.59782	2.8
69.07056	21.6
69.75049	18.4
79.05455	6.6
81.07042	37.0
83.08586	9.4
83.54347	3.1
91.05450	8.3
93.07034	23.1
95.08023	4.6
95.08593	61.7
96.08920	3.7
97.06435	3.7
99.08083	3.4
99.94199	2.7
105.07011	18.0
107.08579	39.1
107.71095	3.0
109.06477	2.7
109.08943	3.0
109.10137	55.2
111.11700	6.9
117.06992	4.3
119.08575	30.9
121.10123	48.9
123.08060	10.1
123.11696	19.1
131.08539	4.1
133.10115	24.9
135.08061	4.2
135.11688	15.0
137.09564	3.3
137.13203	9.8
145.10092	12.4
147.11646	20.7
149.13257	13.4
157.10042	4.6
159.11650	10.9
161.13242	16.7
163.11169	5.3
163.14803	9.4
171.11638	4.2
173.13252	8.8
175.14793	11.5
175.24080	3.0
176.46898	2.7
177.12587	3.8
177.16327	7.3
179.14214	8.3
187.14772	7.0
189.16382	18.6
191.17867	8.8
201.16347	10.2
203.17982	18.9
205.15843	10.2
205.19481	7.4
213.16434	3.6
213.70151	3.8
215.17953	4.8
217.19525	14.9
219.17464	6.6
227.18039	3.5
229.19493	4.8
231.17412	5.2
231.21014	7.0
245.18976	4.6
245.22568	7.2
259.20526	3.8
259.24167	3.7
271.24078	4.6
281.22543	2.6
285.22198	2.8
309.25839	3.2
313.25198	5.6
327.26785	5.5
331.26166	5.3
331.91187	3.4
384.41324	2.8
405.35138	13.5
423.30856	17.2
423.36084	100.0
424.36444	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41103	0.9
53.03936	2.7
55.01862	2.9
55.05506	11.5
55.67928	0.7
56.09950	0.9
57.03429	2.5
57.07072	4.9
64.88428	0.7
65.03929	1.8
67.05495	39.0
69.03421	6.4
69.07053	15.7
71.04985	4.9
71.08620	3.1
71.64106	1.4
79.05486	20.9
81.03430	4.6
81.07047	35.1
83.04961	2.7
83.08596	5.9
83.84223	0.8
85.02880	1.7
85.06530	3.8
85.22987	0.9
91.05476	12.3
93.07036	21.1
94.07362	0.8
95.04971	3.6
95.08591	25.6
97.02872	5.0
97.06527	3.4
97.10158	1.7
99.04459	6.2
99.08052	1.8
105.07012	12.2
107.04961	0.9
107.08583	16.5
109.02886	3.8
109.06508	22.5
109.10149	21.6
111.04482	1.2
111.08097	2.8
117.07033	3.9
119.08562	11.0
121.06497	0.9
121.10133	11.8
122.07283	2.1
123.08053	53.6
123.11697	3.6
124.08384	1.1
127.03889	7.7
129.07039	1.5
131.08562	5.6
133.10121	8.7
134.57034	0.9
135.08041	12.9
135.11702	7.1
137.09570	3.9
143.08536	1.5
145.10118	4.7
147.08029	0.9
147.11676	6.1
149.09628	4.7
149.13205	5.1
149.61623	0.8
151.11211	0.9
151.85527	0.8
157.10115	2.2
159.11688	5.8
161.09697	1.0
161.13266	3.5
163.11075	1.3
163.14853	1.2
165.12851	1.5
167.14348	1.1
171.11687	1.8
173.11754	2.1
173.13283	2.3
175.14740	1.8
177.12750	4.8
179.14287	58.8
180.14630	2.0
185.13304	1.0
187.14769	1.1
189.16451	1.2
193.15916	2.0
195.13792	1.8
195.85440	0.9
197.48280	0.8
199.14613	1.1
203.17929	1.0
205.15910	3.0
207.13942	0.9
233.18967	1.3
248.94164	0.9
259.20499	1.2
261.22168	3.7
263.20041	1.9
275.20111	4.9
289.25134	1.1
293.21100	1.1
303.26810	4.0
331.26297	45.6
332.26746	2.7
339.23557	0.9
349.27374	2.4
367.24823	2.5
405.30634	1.5
423.31171	100.0
424.31467	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01873	2.3
55.05503	8.1
57.03421	2.6
57.07059	2.9
63.24952	0.9
67.05499	12.6
69.03402	1.4
69.07062	8.6
69.79433	0.9
69.97275	5.5
71.04966	2.2
71.08621	1.9
79.05477	8.3
81.03430	1.0
81.07042	16.8
83.04961	1.4
83.08607	5.2
85.06509	1.6
91.05464	5.9
93.07029	11.7
95.04962	2.4
95.08590	13.4
97.02865	1.7
97.06517	2.1
97.10174	1.5
98.20804	2.2
99.04435	1.5
99.08057	1.4
101.25189	0.9
105.07005	6.1
107.08581	8.7
109.06507	14.6
109.10155	6.0
111.08080	2.4
119.08576	6.9
121.10119	6.2
123.08054	48.7
123.11668	2.4
127.03928	1.6
131.08546	3.3
133.10147	5.2
135.08029	10.2
135.11693	4.2
135.74019	1.1
137.09598	3.6
145.10129	3.2
147.11700	3.2
149.09628	3.1
149.13284	3.1
151.11172	1.3
159.11691	3.1
160.25197	1.1
161.13164	1.3
163.11127	1.2
165.12784	1.2
167.14270	1.8
173.13206	2.0
177.12724	3.9
179.12711	2.3
179.14275	34.3
199.55266	1.0
204.38033	1.0
205.15823	1.3
228.83040	1.0
261.22153	2.1
263.20154	2.2
275.20010	4.7
293.21185	3.9
303.26752	4.7
313.25195	1.2
331.26260	33.6
332.26617	2.4
333.27048	1.0
349.27292	9.7
350.27603	1.4
367.25000	1.9
399.82599	1.1
405.30069	2.1
423.31024	100.0
424.31491	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
55.01867	13.7
55.05503	24.6
57.03417	6.3
57.07057	5.9
59.04974	4.0
65.03919	5.4
67.05494	100.0
67.61402	1.3
69.03419	25.5
69.07061	19.1
70.02744	4.9
70.03148	3.6
71.01331	4.3
71.04977	13.2
73.02908	3.2
79.05482	75.8
81.03403	26.2
81.07043	91.0
83.04974	8.2
83.08614	13.6
85.02871	9.9
85.06509	5.4
91.05467	50.4
93.07030	90.7
94.07343	1.6
95.04967	11.6
95.08591	69.6
97.02877	73.7
97.06506	5.4
97.10149	5.1
98.03139	1.9
99.04454	35.8
99.08089	2.5
101.02348	2.1
103.05450	2.2
105.07017	40.0
107.08576	43.9
109.02866	16.2
109.06487	6.5
109.10134	42.6
111.04418	2.4
111.08098	2.5
113.09648	2.0
113.60048	1.6
117.06988	18.0
119.07757	1.9
119.08561	27.9
121.10131	51.0
123.08047	8.7
123.11693	10.4
127.03889	45.0
129.06978	4.2
131.04858	3.1
131.08554	28.2
133.06526	1.9
133.10109	23.4
135.08051	3.5
135.11674	29.1
137.09622	1.7
139.07481	1.5
139.11177	3.9
143.08528	5.5
145.04933	4.8
145.06444	2.8
145.10109	19.6
147.07996	2.0
147.11667	18.3
149.13251	19.2
151.11185	1.9
155.08482	2.7
157.06572	2.0
157.10117	6.5
159.08046	1.8
159.11659	18.6
161.09660	2.0
161.13229	12.0
163.14824	4.8
169.10019	1.7
171.11617	3.8
173.09639	2.5
173.11823	2.6
173.13229	14.0
175.14801	6.3
177.12753	2.6
179.14255	7.1
185.13220	5.5
187.14807	6.0
189.16321	2.8
195.13852	1.6
199.11304	1.7
199.14833	3.3
201.12685	1.9
201.16431	1.9
213.16280	1.7
241.19434	2.5
243.21025	8.8
253.85703	1.6
259.20605	8.0
261.22119	30.6
277.21707	2.1
279.23065	2.1
313.21466	2.1
315.23407	1.8
321.22238	1.7
329.24683	3.6
331.26151	3.6
339.23096	2.0
349.27411	1.6
357.24118	4.8
362.14029	1.6
405.26108	2.3
409.72314	1.6
423.26407	12.1
423.31601	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01870	9.1
55.05503	33.8
57.03426	8.7
57.07061	4.8
59.04980	2.8
65.03917	5.1
67.05495	100.0
69.03424	31.7
69.07056	31.9
69.70430	11.6
71.01317	3.8
71.04979	7.8
71.08617	2.0
73.02891	3.7
77.03905	2.0
79.05480	71.9
81.03404	36.2
81.07045	99.7
83.04966	11.8
83.08236	1.4
83.08617	14.0
84.08114	3.3
85.02894	17.0
85.06516	4.7
87.04466	1.6
88.65240	1.7
91.05466	57.2
93.07030	82.0
95.04953	17.4
95.08591	66.3
97.02885	13.8
97.06505	8.5
97.10130	5.2
98.21449	2.1
99.04447	10.0
99.08072	3.4
103.03926	4.6
105.04469	3.2
105.07014	53.5
107.04942	7.0
107.08572	45.0
109.02850	6.3
109.06494	8.7
109.10142	36.7
109.29839	1.6
111.04399	6.6
111.08042	2.5
111.11715	2.0
115.05417	3.0
117.07001	22.2
119.08562	46.9
121.06468	6.8
121.10118	37.4
123.04391	4.3
123.08070	9.7
123.11668	15.1
125.09566	2.4
127.03905	4.8
128.06180	4.7
129.05475	5.6
129.06992	14.5
131.08543	34.2
133.06493	4.1
133.10104	33.8
135.08054	7.2
135.11673	26.6
137.05966	1.8
137.09615	4.6
137.13229	2.1
139.11188	4.3
141.06973	3.2
142.07756	3.5
143.08545	12.7
145.06512	3.5
145.10098	28.8
147.08037	4.8
147.11670	27.3
149.09613	5.3
149.13229	17.1
151.07498	4.5
154.07745	2.4
155.08542	6.1
157.06480	2.0
157.10100	10.5
159.07997	2.8
159.11673	25.1
161.09604	4.0
161.13222	19.0
163.07544	2.0
163.11154	3.8
163.14807	6.7
165.09058	1.9
165.12802	2.2
167.07042	2.0
167.08441	2.4
169.10089	5.2
171.08000	3.5
171.11647	10.9
173.09583	3.3
173.11876	3.3
173.13243	17.1
175.11160	2.7
175.14825	6.8
177.12758	3.4
177.16354	2.0
179.14243	6.0
181.10051	3.0
183.11664	3.4
185.09583	2.5
185.13229	7.9
187.11154	2.3
187.14828	6.8
189.12747	3.7
189.16325	3.0
195.11697	2.9
195.13666	3.4
197.13255	3.7
199.11093	2.7
199.14787	6.7
201.12724	2.6
201.16452	2.7
203.14420	1.9
205.12231	2.8
207.13708	1.8
209.13203	2.2
211.14844	3.8
213.16350	3.6
217.12177	2.0
241.19481	6.1
243.21071	8.8
249.14647	3.0
255.21277	2.2
259.20520	16.5
261.22098	24.1
273.22116	5.2
275.23587	3.2
277.21555	7.5
285.21817	2.8
289.21567	6.5
291.23099	7.2
301.21539	5.0
303.23138	17.6
313.21356	3.1
315.23077	4.4
319.22733	2.4
327.23111	3.6
331.22537	3.4
331.26312	3.1
341.24753	3.6
345.24203	4.2
351.23138	5.7
357.24066	2.1
369.24164	20.5
387.25272	18.9
405.26343	21.2
423.26785	19.3
423.32004	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.2
55.01854	3.7
55.05500	19.2
57.03412	5.7
57.07053	5.5
59.04984	3.0
65.03912	3.8
67.05492	100.0
69.03406	9.2
69.07047	18.4
70.50453	5.1
70.55621	1.3
71.04969	4.9
71.08622	1.7
72.64127	1.3
73.02864	1.5
75.21734	1.3
79.05037	1.9
79.05476	32.4
81.03404	13.1
81.07043	64.4
83.04948	5.7
83.08602	11.4
85.02871	4.4
85.06528	3.3
91.05460	32.5
93.07029	46.5
95.04964	7.3
95.08588	37.7
96.08919	1.4
96.22169	1.1
97.02885	2.7
97.06504	5.9
97.10172	2.5
99.04424	4.1
99.08081	2.0
105.07005	22.8
106.54433	1.5
107.04941	2.6
107.08574	28.7
109.06483	5.0
109.10138	60.4
111.04421	2.8
111.08074	6.0
113.05947	1.6
117.07015	9.0
119.08565	21.2
121.06451	2.8
121.10116	19.4
123.08049	5.4
123.11660	6.4
125.09583	2.5
128.06226	1.6
129.06995	4.3
131.08543	16.9
133.06471	1.5
133.10098	14.8
135.08025	2.8
135.11673	14.5
137.09563	3.4
137.13199	2.5
139.11168	2.1
143.08524	4.6
145.06421	1.7
145.10089	9.0
147.11662	8.4
149.09485	1.8
149.13220	17.6
155.08574	1.8
155.10663	2.8
157.10109	3.7
159.11694	16.0
161.09625	1.5
161.13231	6.6
163.11118	2.7
163.14790	2.1
169.10146	2.4
171.11658	4.3
173.11699	15.1
173.13242	7.1
175.14870	2.9
177.12711	4.3
179.14279	4.8
181.09978	1.3
185.13126	3.6
187.14807	2.4
189.16263	2.5
191.17937	9.8
193.12244	1.7
195.13821	7.0
199.14729	2.0
201.16374	2.5
205.15829	1.5
215.17978	4.2
233.18907	4.2
241.19408	1.5
243.21048	1.6
257.04800	1.4
259.20508	5.0
261.22174	7.0
289.21616	2.1
301.21442	2.0
303.23157	4.4
319.22443	1.7
327.22928	2.6
331.26218	3.2
349.27625	1.4
351.23166	2.5
369.24045	5.2
387.25150	4.4
405.26190	5.8
423.27084	37.8
423.36337	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	423.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	4.9
57.03415	2.1
58.99561	8.8
58.99829	2.0
67.05487	6.8
69.03428	7.5
69.07059	19.2
70.10834	3.6
70.11256	3.4
73.01139	1.2
76.02197	3.8
81.03391	3.1
84.08107	3.8
85.02894	15.9
85.06490	1.2
91.05418	1.3
93.07029	2.5
95.04939	3.6
97.02886	7.2
97.06511	1.3
98.21412	1.4
98.97565	9.1
99.02660	2.6
99.04437	1.4
101.04228	46.9
109.02872	2.6
110.06023	2.1
112.07567	3.3
116.98577	5.7
122.02764	1.5
124.09865	1.9
126.05480	2.0
127.02164	5.9
127.03862	3.8
127.05746	3.1
128.98578	2.3
129.03659	2.0
129.10196	1.8
134.99620	3.6
137.05916	2.3
138.05530	1.6
140.07024	10.7
143.00032	1.9
145.07968	1.1
146.99672	2.0
147.04340	2.1
152.06956	1.8
157.09763	1.1
157.19331	1.4
158.99623	2.3
161.01158	2.4
170.06374	2.8
172.04248	100.0
173.04552	1.8
177.00671	3.7
182.08096	1.8
182.87296	1.4
188.89949	1.3
189.00679	1.5
197.07335	2.4
198.05792	3.7
201.00662	2.5
214.05312	9.0
215.05844	1.5
215.08443	4.1
217.15825	1.2
219.01718	3.9
222.55148	1.2
231.70377	1.3
237.02753	2.8
243.54308	1.2
244.06429	7.4
249.02821	2.3
261.08987	14.1
273.69666	1.2
284.10800	1.4
286.07425	2.8
302.12506	1.8
303.09869	1.8
309.08414	2.8
377.13684	9.0
379.18481	3.2
381.10611	1.8
423.13980	57.2
424.14420	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.7
55.01840	0.8
56.96548	1.5
57.03412	1.0
58.99575	6.7
59.07585	0.6
61.02904	0.9
65.03913	0.6
67.05497	7.8
69.03421	5.9
69.07057	17.7
70.06557	0.7
71.04987	0.6
71.63940	1.0
73.02885	1.0
76.02231	3.8
81.03386	2.3
84.08112	0.8
85.02894	9.5
92.24542	0.6
93.07019	0.9
95.04926	2.6
97.02889	4.8
98.21169	0.7
98.97577	3.1
99.02644	1.9
99.04451	0.9
101.04225	44.7
102.04523	1.1
109.02835	1.3
110.17000	0.7
112.07559	2.3
116.98602	2.0
118.65707	0.6
119.04804	0.6
121.69769	0.6
122.02715	0.7
126.05437	0.9
127.02139	5.3
127.03855	2.7
127.05730	2.1
128.98544	0.9
129.03667	1.6
137.12685	0.5
138.05424	0.7
140.07053	8.7
143.00128	0.7
145.04971	0.9
146.99541	0.9
147.04434	0.9
152.05286	0.9
155.01633	1.7
161.02829	0.6
168.04764	0.9
170.06316	2.5
172.04247	100.0
173.04584	2.1
177.00668	1.2
180.04776	2.0
182.08073	2.1
186.04401	1.0
197.07440	2.8
198.05772	5.7
199.06294	0.7
204.05229	1.0
206.08047	1.4
214.05293	9.8
215.05751	0.6
215.06564	0.7
215.08453	5.7
215.35822	0.7
219.01843	0.9
237.02798	1.3
238.05267	1.3
244.06401	10.2
246.06329	0.6
247.06802	0.8
257.09641	0.9
261.09009	16.3
261.18082	0.7
262.09222	0.9
284.11279	0.8
286.07440	2.3
293.34897	0.7
302.12488	1.2
303.10040	2.1
316.08405	0.7
334.09583	3.8
335.09937	0.7
339.10214	0.7
346.80017	0.6
377.13718	9.6
378.14288	0.9
423.14285	42.4
424.14691	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01859	9.4
55.05505	14.7
55.57775	1.5
56.13356	1.4
57.03421	5.3
57.07060	4.6
58.88659	1.3
64.85700	1.4
67.05148	3.0
67.05496	45.9
69.03421	13.9
69.07059	15.8
71.04982	6.4
71.08621	2.6
71.61911	1.4
73.02911	2.4
79.05478	25.0
81.03410	11.6
81.06570	2.3
81.07045	46.0
83.04967	3.2
83.08646	7.4
85.02892	4.4
85.06526	2.2
91.05465	18.8
93.07034	30.5
95.04977	5.0
95.08593	39.4
97.02888	18.7
97.06534	4.7
97.10165	3.6
98.20747	3.9
99.04430	21.2
99.08060	2.9
105.07002	16.7
107.08579	19.6
109.02872	11.3
109.06506	13.3
109.10138	21.3
111.04453	3.0
111.08074	5.0
117.07021	7.0
119.08559	15.6
121.06548	2.2
121.10141	18.5
123.08057	51.0
123.11700	5.4
125.09660	1.8
127.03912	25.5
127.76379	1.5
129.07008	1.9
131.08521	11.5
133.10110	9.1
135.08044	8.1
135.11699	10.5
137.09625	4.2
137.13228	2.8
145.04988	2.8
145.10118	11.9
147.11644	7.8
149.09641	2.3
149.13271	10.1
157.10127	1.5
159.11658	9.3
161.09642	2.0
161.13297	6.3
163.14882	2.6
167.14354	1.8
171.11731	1.8
173.11812	3.1
173.13319	4.4
175.14764	2.8
177.12743	3.7
179.12726	2.1
179.14288	41.7
185.13258	2.8
187.14931	3.5
191.14381	3.1
193.15979	1.7
229.15511	1.6
233.19142	2.5
255.11542	1.6
259.20718	3.3
261.22083	10.6
263.20047	1.8
275.19974	3.5
293.21246	3.5
303.26944	4.1
331.26263	40.1
331.29996	2.7
349.27356	12.5
367.24716	2.5
405.25705	2.0
423.31137	100.0
424.31424	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
51.95968	0.6
53.03945	3.0
55.01866	2.4
56.54846	0.6
57.03442	1.5
60.04490	0.5
67.05487	0.6
69.03418	9.2
69.33638	2.6
69.34068	3.4
70.06582	49.6
71.05007	1.1
71.05384	0.6
73.02905	1.1
78.03443	18.4
80.05003	3.3
81.03404	22.9
81.07065	0.7
82.06589	0.8
84.08150	0.6
85.02891	7.9
89.03912	0.6
91.05467	0.8
95.01318	0.7
95.04971	0.9
96.02114	1.7
96.04467	7.5
97.02885	6.3
98.21491	1.3
99.04443	2.6
106.02901	79.5
107.03246	1.9
107.04971	1.3
109.02864	14.0
111.04434	0.6
117.03353	0.7
119.04939	0.7
121.06503	0.6
123.04435	1.0
124.03934	100.0
125.04267	2.2
127.03894	9.1
128.03371	0.7
137.02316	59.5
137.05859	1.1
138.02676	1.0
139.03877	0.6
144.08098	1.2
145.02844	2.6
145.04903	0.8
147.04387	3.5
151.03856	0.7
155.03366	0.6
166.05003	1.3
167.01540	1.4
167.07072	0.7
170.05957	0.6
174.03963	0.9
174.09135	0.8
177.05420	4.6
179.03383	1.7
196.06059	1.0
197.02580	0.6
199.12328	0.9
210.09123	0.8
213.05397	1.2
213.10191	0.6
224.16754	0.7
225.14677	0.6
226.07295	1.7
227.07970	1.0
227.11726	1.1
228.05035	1.2
232.06052	0.9
241.09709	1.4
245.02608	1.0
250.07079	33.0
251.07315	1.8
255.11237	7.4
259.04108	1.9
268.08139	36.7
269.08411	1.4
277.05179	0.7
283.10718	2.4
286.07251	0.7
287.03644	1.8
301.11722	7.6
305.04779	0.8
315.03061	0.7
332.12421	0.9
333.04184	4.0
404.09674	21.2
405.05496	0.6
405.10196	1.5
422.05316	1.1
422.10553	14.8
422.17667	3.3
423.10654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46710	0.6
66.92303	0.7
67.05510	1.0
68.04996	0.9
69.03434	1.1
69.07037	0.8
70.06583	100.0
71.04998	0.8
71.06920	1.2
71.61960	0.9
71.62355	1.0
72.06545	0.6
74.00671	0.9
74.06100	1.0
78.04748	0.6
79.05492	1.2
81.03410	6.9
83.04979	1.4
84.04512	0.9
84.08137	1.3
85.02883	1.4
86.09676	0.8
88.03978	10.1
91.05460	0.9
93.07019	0.9
95.04959	2.9
96.02122	0.8
97.02872	0.7
97.06528	1.0
105.07036	1.0
107.04948	1.4
107.08556	1.0
109.02853	2.1
120.01157	0.9
121.01093	1.0
121.10074	0.9
123.04411	9.7
124.03932	1.9
124.48248	0.7
127.03916	1.2
135.04396	1.3
137.02319	94.5
137.05978	2.0
138.02687	2.5
138.05399	1.1
138.98405	0.8
147.02676	0.8
149.00540	5.3
150.05479	1.6
150.06627	0.7
151.03851	0.8
153.00000	1.2
156.06580	0.9
165.00049	2.8
167.01578	1.1
167.07008	1.1
169.03162	22.1
171.02538	1.0
176.01628	7.5
176.06972	1.3
178.04965	7.4
180.02390	1.3
180.03947	1.2
181.03091	1.3
184.70490	0.7
190.03122	0.8
190.52017	0.7
193.01888	3.0
193.03421	1.2
195.01047	0.7
196.05949	1.1
197.02698	0.8
204.49960	0.9
207.13837	1.1
208.04250	16.5
213.05400	0.9
217.03149	7.2
218.00212	1.1
218.94705	0.7
224.05470	2.5
225.14828	1.0
229.02950	1.3
229.05006	1.8
233.02599	2.9
234.03229	0.8
234.07637	0.8
243.00961	1.4
243.06459	1.1
244.01778	1.7
245.02625	15.3
249.09813	1.4
254.04793	54.6
255.01157	3.4
255.05145	2.7
257.02448	1.3
260.01340	1.7
261.02127	2.1
262.02866	2.4
268.06113	0.8
269.04486	2.6
271.00647	0.8
272.01352	2.0
275.03619	6.0
275.11542	1.8
275.88126	0.8
277.05267	28.7
278.05637	1.5
283.00494	4.4
285.07437	2.5
286.07397	6.1
289.05066	0.8
293.12506	2.7
300.00833	9.8
301.01334	0.9
305.04688	4.9
313.05280	2.0
315.03229	10.5
316.03470	1.1
317.04749	15.3
318.05176	1.0
333.04047	2.9
341.04630	1.2
358.07309	2.0
404.07993	2.6
404.16785	2.8
422.09232	3.7
422.13528	1.4
422.18076	2.7
432.30606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01871	10.7
55.05279	2.3
55.05508	26.8
56.44546	1.9
57.03436	12.7
57.07046	2.6
59.04976	2.3
63.29289	1.8
65.03925	2.7
67.05495	85.5
67.15625	1.8
67.27880	1.8
68.05830	2.6
69.03403	6.6
69.07050	22.5
70.90591	3.7
70.90965	3.6
71.04976	10.3
71.05302	1.9
79.05482	44.1
81.03407	32.3
81.07045	48.2
81.97633	2.2
83.04955	7.9
83.08613	20.8
85.02877	4.4
85.06509	6.0
91.05463	60.7
92.99776	5.7
93.07030	39.6
95.04953	74.3
95.08598	38.6
97.02862	6.7
97.06516	13.8
97.10159	13.8
103.05455	3.2
105.03403	3.1
105.07016	33.9
107.04936	28.4
107.08576	22.5
109.06499	7.7
109.10143	39.0
111.04469	3.1
111.08062	6.7
115.05453	4.3
117.07008	20.9
119.04942	3.6
119.08561	33.7
121.06490	24.8
121.10126	15.8
123.04411	3.9
123.08057	11.4
123.11651	2.1
125.09603	15.8
129.06990	18.7
130.07784	1.9
131.04970	4.1
131.08562	26.6
133.06445	6.7
133.10112	16.9
135.04445	2.0
135.08037	11.8
135.11620	5.4
137.05872	4.2
137.09608	8.8
139.07497	3.0
139.11136	3.7
141.06973	6.5
142.07603	1.8
143.08517	12.7
145.06448	7.2
145.10074	17.2
147.08055	10.5
147.11649	10.5
149.09595	9.1
149.13275	4.6
151.07507	5.2
153.05463	2.0
153.09125	2.6
155.08553	6.8
155.10640	3.2
157.06461	4.0
157.10117	17.2
159.08055	6.5
159.11690	13.5
161.09552	9.6
161.13257	4.1
163.11140	14.4
165.09117	3.2
167.07098	2.5
167.08464	4.2
169.10098	6.7
171.08017	3.2
171.11632	7.4
173.09659	4.5
173.11714	7.3
173.13181	3.8
174.07874	2.0
175.11163	13.6
177.12695	8.3
179.07001	4.6
179.08458	2.5
180.09360	1.9
181.10098	4.0
183.11676	6.3
185.09740	3.0
185.11664	2.0
185.13240	5.5
187.11140	3.6
189.09337	10.5
189.11102	13.8
189.12627	2.0
193.12199	18.3
195.11813	2.8
199.11203	4.1
201.88771	1.8
203.10664	10.7
203.12778	6.4
203.14433	3.2
205.12276	7.6
209.08081	6.4
213.12724	3.6
217.12177	2.6
219.06468	2.1
219.13814	3.2
223.13213	7.0
231.13811	5.9
237.14883	2.3
249.14737	9.7
259.09589	2.5
263.10544	2.4
269.15216	2.7
283.20520	3.6
287.16324	1.9
301.21677	6.6
311.19971	16.0
312.29962	2.0
319.22614	2.3
329.21048	100.0
330.21347	7.0
347.07645	14.6
347.22198	14.8
361.09039	13.2
367.22571	2.5
385.23569	6.5
392.16592	2.1
403.24673	49.8
403.29453	2.6
404.25165	5.6
421.12656	3.7
421.25742	71.7
421.34821	6.5
422.26215	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01862	4.6
55.05508	13.6
57.03428	10.2
57.07069	32.4
59.29659	1.6
60.83221	1.5
61.29271	1.7
67.05499	20.8
69.03417	3.7
69.07063	14.1
69.99499	3.1
69.99893	8.0
71.04984	2.9
79.05484	18.3
81.03431	5.3
81.07043	32.8
81.21723	1.7
83.04990	6.2
83.08624	7.4
85.06541	16.3
91.05467	20.7
93.07031	20.9
95.04963	10.7
95.08601	23.4
97.06538	6.4
97.10175	3.8
98.20793	2.3
105.07029	17.4
107.04939	3.1
107.08575	21.0
109.06503	18.6
109.07120	1.9
109.10155	14.8
111.04424	2.2
111.08109	4.8
117.07027	6.7
119.08575	16.5
121.06486	4.2
121.10132	11.9
123.08040	11.5
123.11710	4.6
124.52928	1.6
125.06028	2.5
125.09634	1.7
129.06978	4.5
131.08600	7.8
133.06493	2.2
133.10167	7.8
135.08034	20.4
135.11714	7.1
137.05960	22.2
137.09590	2.1
137.13338	1.8
139.07550	2.1
143.08553	3.7
145.10124	9.3
147.08047	4.1
147.11725	7.4
149.09634	6.6
149.13315	4.8
151.07574	6.7
151.11235	3.7
157.10126	6.8
159.11743	5.7
161.09663	5.2
161.13245	3.5
162.03136	2.3
163.11247	2.3
165.12729	9.2
167.08687	2.1
167.10674	1.5
169.10126	1.6
171.11743	3.0
173.13304	2.8
175.11197	2.7
177.12831	7.7
179.14369	4.9
185.13219	3.7
191.14355	3.4
193.12225	2.7
197.13417	1.9
207.13849	9.7
219.13857	1.8
233.19078	3.6
263.20111	4.0
277.18066	2.7
291.19598	2.1
292.19775	1.6
301.21857	2.4
301.25345	2.7
319.23154	1.8
319.26245	8.8
329.21225	8.8
329.24979	6.2
337.27509	5.1
347.25781	100.0
348.26367	2.6
365.26761	17.5
367.22995	2.3
385.09277	1.8
393.29996	9.6
403.24576	3.4
421.29730	60.2
421.35141	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	421.2579
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02374	3.0
51.07859	2.7
52.32353	2.6
52.91725	2.8
53.03939	6.4
55.01855	9.9
55.05503	40.3
57.03419	10.9
57.07061	5.3
65.03939	5.6
67.05496	76.2
69.03417	19.9
69.07067	24.8
70.91270	6.3
70.91617	4.1
71.01344	3.3
71.04967	7.8
73.02910	7.0
77.03949	3.7
79.05489	68.8
81.03397	27.4
81.07050	74.3
83.04958	8.2
83.08599	16.7
85.02908	18.8
85.06525	5.7
88.65559	2.8
91.05470	100.0
93.07034	94.4
95.04957	32.2
95.08597	53.8
96.56242	3.5
97.02885	13.8
97.06499	9.5
97.10146	9.9
99.04457	8.2
99.08044	4.4
99.08651	3.0
101.02314	2.8
101.10500	2.7
103.03917	5.8
105.07023	97.4
107.04938	13.0
107.08582	45.0
109.02829	3.7
109.06504	6.6
109.10141	31.2
111.04436	11.1
111.08073	4.7
115.05462	7.0
117.07005	48.6
119.04947	4.7
119.08566	83.3
121.06490	12.8
121.10142	31.4
123.08000	4.9
123.11694	6.4
125.09684	3.1
127.03908	8.1
128.06213	8.6
129.07002	34.0
130.07861	3.0
131.04907	3.4
131.08543	60.9
131.09555	3.1
133.06480	11.3
133.10120	57.8
135.08041	7.8
135.11674	27.6
137.05923	4.5
137.09586	4.0
141.06961	13.7
142.07773	6.8
143.08540	35.4
144.09312	3.4
145.06438	7.0
145.10103	64.3
147.08029	10.0
147.11659	42.4
149.09651	6.1
149.13264	14.5
155.08562	11.7
156.09206	3.2
157.10106	27.8
159.08031	9.6
159.11688	48.8
161.09607	7.7
161.13243	24.2
163.11168	6.3
163.14774	4.2
167.08521	6.8
168.09396	3.3
169.10124	15.0
171.08073	4.5
171.11679	29.0
173.09717	7.7
173.11787	4.3
173.13222	33.3
175.11218	8.9
175.14847	6.9
177.16380	4.1
181.10126	6.6
183.11743	14.5
185.09618	5.6
185.13272	19.8
187.11150	4.7
187.14801	14.7
189.09016	4.2
189.11220	5.4
189.12773	5.6
193.12207	5.7
195.11661	5.6
197.09619	3.4
197.13249	14.0
199.11087	6.0
199.14861	14.3
201.12762	7.6
201.16408	4.6
203.10704	3.5
203.14273	5.9
205.12195	4.8
207.11743	3.3
211.14880	6.0
213.12726	4.0
213.16327	6.3
217.15826	4.2
220.11960	3.1
227.14275	3.6
229.19376	5.0
231.17442	6.5
239.17900	7.4
241.19514	17.0
249.14743	3.9
250.81590	3.2
253.19485	2.8
257.18991	24.5
259.20563	45.2
271.20547	12.1
273.22104	5.8
275.20081	15.5
277.21848	4.3
283.20547	7.7
285.22049	3.9
287.19992	9.0
289.21671	8.3
295.20688	3.9
299.20126	5.3
301.21579	37.6
311.19931	6.0
313.21600	8.8
319.22751	7.2
325.21521	6.4
329.20981	22.2
339.23035	6.7
343.22806	5.3
347.22144	4.1
349.21628	7.1
357.24124	6.2
361.23730	4.7
367.22571	37.8
368.22928	5.3
385.23648	39.6
386.24045	4.7
403.24734	73.2
404.25278	5.3
421.25839	89.2
421.34683	7.2
422.26038	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	421.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	1.9
52.68100	1.9
53.03932	11.5
55.01866	16.9
55.05506	34.2
57.03426	10.9
57.07057	3.4
61.02909	3.1
65.03914	6.6
65.62656	2.1
67.05495	99.0
69.03423	30.1
69.06734	2.8
69.07053	30.4
71.04959	7.4
71.66247	4.1
73.02897	4.6
77.03926	2.1
79.05481	68.7
81.02947	2.6
81.03403	30.2
81.07044	71.5
83.04967	13.9
83.08607	13.9
85.02884	11.3
85.06512	6.5
91.05468	100.0
93.07032	87.2
95.04401	3.2
95.04963	35.2
95.08009	3.1
95.08595	52.7
97.02876	39.4
97.06490	9.5
97.10143	9.5
97.60812	2.3
99.04448	19.4
99.08107	3.4
101.02362	4.9
101.06012	2.3
103.05388	3.1
105.07018	80.5
107.04966	17.5
107.08576	50.0
109.02869	15.0
109.06503	9.5
109.10134	56.6
111.04422	2.6
111.08053	7.6
115.05414	3.9
117.07004	27.3
119.08571	62.7
120.08882	2.4
121.06467	7.7
121.10133	34.7
123.04418	2.6
123.08086	10.7
123.11679	6.5
125.05994	2.3
127.03903	36.9
128.06201	5.5
129.06970	23.3
130.07744	2.7
131.04871	2.5
131.08549	48.7
133.06461	5.0
133.10103	61.4
135.08009	9.0
135.11682	27.8
137.05972	5.4
137.09612	5.3
139.07509	3.0
139.11142	3.6
141.06931	6.7
142.07742	6.7
143.08542	18.4
145.04919	3.6
145.06429	6.2
145.10117	42.3
147.08014	7.9
147.11671	42.3
148.12018	2.4
149.09575	8.4
149.13239	16.0
151.07495	2.7
151.11107	4.4
155.08501	8.1
156.09421	2.2
157.06424	2.8
157.10097	21.3
159.08060	4.7
159.11688	27.3
161.09569	6.7
161.13252	17.2
163.11130	7.5
163.14786	2.9
169.10104	7.8
171.08035	5.3
171.11633	14.7
173.09526	3.7
173.11711	9.2
173.13237	17.7
175.11136	9.2
175.14771	8.7
177.12679	3.5
177.16481	2.4
181.10010	4.4
183.11646	7.8
185.09563	5.4
185.13216	12.3
187.11095	3.3
187.14778	4.5
189.12744	5.3
189.16228	3.4
191.17825	2.2
193.12221	9.1
195.11664	5.1
197.09576	4.0
197.13277	6.7
199.11182	3.4
199.14836	7.3
201.12701	3.8
201.16437	4.5
203.10718	3.7
209.13321	2.6
211.14871	3.5
213.12700	3.0
213.16325	5.1
215.14258	3.1
215.17929	3.6
219.13713	2.6
231.13728	3.1
231.21030	6.9
239.17819	4.3
241.19440	17.6
249.14880	3.8
257.19006	10.3
259.20526	52.5
260.20807	3.4
275.20029	5.3
277.21616	19.7
283.20667	2.8
285.22107	3.2
301.03418	8.7
301.21616	3.8
311.19916	6.7
313.21631	2.9
325.21710	2.4
325.69571	2.6
329.21097	22.7
339.23083	3.7
343.22464	5.6
347.22324	2.9
349.21469	3.6
355.22653	6.6
357.24295	4.0
367.22513	7.8
385.23615	17.0
387.17764	2.3
403.24786	29.9
403.33774	4.0
408.93890	2.3
421.09048	3.2
421.19986	4.1
421.25751	70.2
421.34140	13.4
422.26083	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	421.1335
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	0.4
57.03417	1.2
67.03487	0.4
69.03415	3.9
69.99409	0.8
69.99696	2.3
75.35603	0.4
81.03409	0.6
81.04527	1.7
85.02899	3.6
87.04444	1.8
95.06080	0.7
97.02868	3.0
98.20739	0.6
115.03908	1.6
125.07116	2.1
127.03902	100.0
128.04247	1.6
133.04933	1.5
143.08153	1.6
146.15872	0.5
223.14502	0.5
237.80730	0.4
239.83420	0.4
241.15474	1.5
259.16507	7.3
289.09122	2.3
421.21793	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	421.1487
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	1.0
55.01861	1.0
55.05495	0.6
57.03426	1.5
57.51991	0.4
62.14020	0.4
65.03928	0.8
67.05495	3.5
68.99779	2.6
69.03422	5.2
70.14745	2.1
79.05486	3.3
81.07060	2.3
81.07478	0.5
83.04964	0.5
85.02895	3.2
87.04473	2.1
91.05459	1.5
93.07030	0.8
94.04178	1.8
95.04964	5.9
97.02879	4.3
97.06529	1.7
99.08035	0.4
105.07047	0.7
107.04952	0.9
109.06499	2.0
111.04433	0.8
115.03925	1.6
115.05445	0.5
119.04929	0.7
119.08527	0.6
121.06475	1.5
121.10120	0.8
123.04411	62.3
124.04800	0.4
125.05985	3.6
129.06958	0.6
133.04947	0.9
135.04381	0.8
137.05959	4.8
139.03874	2.0
139.07509	0.9
141.05453	3.5
143.08507	0.4
145.06529	0.5
147.04376	0.9
148.07564	0.6
149.05954	8.2
151.07542	1.4
153.05441	100.0
154.05809	1.5
161.05956	0.7
163.07460	1.0
165.05450	4.1
167.07018	10.6
167.08350	0.9
173.05925	1.0
177.05388	1.4
179.07018	3.6
179.67892	0.4
183.01080	1.1
187.07532	0.6
191.06915	0.8
195.06458	2.6
201.05379	1.0
203.07019	0.7
209.08026	0.7
213.05452	0.7
215.07048	0.6
227.44888	0.5
271.06024	0.6
280.11514	0.5
283.09726	0.5
285.09641	0.5
289.10666	21.0
290.10992	0.7
301.10767	1.2
313.10727	0.8
331.12003	1.0
333.07715	0.7
337.10629	1.3
379.12939	0.6
403.11774	1.3
421.05420	0.5
421.13538	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	421.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.84284	0.3
52.93282	0.2
53.03929	0.6
55.01850	0.7
57.03428	0.3
58.24310	0.2
61.02910	0.3
64.51896	0.2
67.05485	0.2
69.03407	0.3
69.49556	0.3
70.06586	2.0
70.79843	0.6
79.05480	1.0
80.81508	0.2
85.02911	1.9
86.09682	0.3
91.05469	0.9
95.01330	0.3
95.04957	1.3
97.02866	0.9
99.04423	0.2
103.03942	1.1
105.04478	0.4
105.06996	0.4
107.04941	100.0
108.05283	1.3
109.02850	0.5
119.04910	0.4
120.08092	0.3
121.06515	0.3
123.04420	0.4
127.03960	0.3
128.06186	0.3
128.34525	0.3
131.04884	0.7
132.40457	0.3
133.06525	0.3
135.04422	1.6
136.07487	0.2
137.05971	0.5
145.06487	0.3
147.04431	2.3
149.02339	0.4
149.05937	1.1
151.02721	0.3
151.03929	0.7
151.17946	0.3
153.01807	2.0
153.05469	0.4
165.05449	5.3
165.06801	0.3
167.03357	0.3
171.04428	0.6
173.05943	0.7
175.03938	0.5
177.05447	5.4
179.03397	1.3
180.03734	0.5
181.03951	0.3
185.05991	0.4
189.05484	0.9
191.07040	1.0
195.06520	7.7
196.07054	0.3
201.05481	0.8
201.12827	0.5
207.06509	0.7
213.05463	0.8
215.06886	0.3
219.06514	5.3
221.04500	0.3
225.05605	0.3
229.04979	0.5
230.00323	0.4
231.06465	1.8
242.86334	0.3
243.06500	1.6
245.02705	1.4
247.13205	0.3
249.07675	0.4
259.09570	0.6
261.07513	1.4
271.06494	0.4
271.09641	3.4
273.02255	0.5
279.08643	0.7
283.09641	2.0
295.09448	0.6
299.09515	0.3
301.10675	11.6
302.11044	0.6
315.03238	0.9
325.10666	7.8
326.11118	0.4
332.03403	0.3
333.04266	0.5
337.10693	5.2
349.10675	5.7
350.11389	0.4
355.11658	1.7
359.06097	0.7
367.11789	1.2
385.12775	1.4
387.05316	0.6
405.06387	0.6
421.12979	0.4
422.08646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01860	5.2
55.05514	2.6
57.03420	3.7
61.02913	3.3
65.03919	2.1
67.05494	3.9
69.03413	3.6
69.07058	3.3
70.06562	3.9
71.58559	2.8
71.58929	1.8
73.02892	2.9
76.39587	1.7
76.78688	2.3
79.05486	9.3
81.03414	7.1
81.07050	3.3
84.08155	1.8
85.02893	19.8
91.05466	100.0
92.05769	2.0
93.07050	3.2
95.01287	3.6
95.04953	6.0
97.02886	6.0
102.55924	2.0
103.03938	8.0
103.05453	98.0
104.05762	2.2
104.91479	1.8
105.03402	10.2
105.07042	4.7
107.04952	8.5
107.08595	4.6
109.02862	6.8
111.04433	2.4
115.05441	8.1
117.07004	2.7
118.04211	1.9
119.04903	4.5
121.06477	5.4
123.04387	8.2
131.04910	63.2
131.05881	3.6
131.08571	2.5
133.02835	7.8
133.93533	1.9
134.03616	2.0
135.04396	17.3
135.08127	1.9
137.02260	2.3
137.05888	3.0
141.06973	4.2
145.02798	2.1
145.06447	3.9
147.04378	15.4
149.02283	9.6
149.04266	2.2
149.05978	5.8
151.03894	5.7
153.01846	3.4
153.05460	5.9
153.06865	3.5
159.04399	10.0
161.02284	15.9
161.05960	2.1
163.03922	4.3
165.06955	4.3
166.07733	6.8
167.03357	12.2
167.08604	1.8
173.05986	4.5
173.09622	2.3
173.13228	4.0
175.03880	12.8
176.04631	5.2
177.05453	8.5
178.07770	3.5
179.03328	26.8
179.08519	7.5
181.10094	2.8
187.03911	6.1
187.11137	2.8
191.03352	3.6
191.07018	3.7
191.08495	12.5
194.07388	2.0
201.05394	4.1
201.12718	3.8
202.07637	2.3
203.03448	9.3
205.10225	2.1
207.08110	2.6
209.09587	15.5
210.06595	1.9
215.03346	6.2
217.04938	3.5
218.07259	3.2
219.08107	10.2
223.07458	3.1
223.11116	3.1
225.09053	16.9
229.12248	5.2
233.04393	5.5
233.09724	3.3
235.07588	10.0
237.09126	39.1
245.04419	5.4
247.07521	17.3
247.13210	6.0
249.09151	4.3
251.06937	3.8
251.10693	8.3
253.08539	12.4
254.04799	5.8
255.10143	21.7
257.12869	3.0
259.07651	2.0
261.09125	4.5
263.07239	2.2
265.08554	54.2
266.08853	2.6
271.09763	4.2
277.08606	6.7
279.10065	21.3
283.09610	30.2
289.08514	10.9
291.10144	3.4
301.10748	14.2
303.10165	4.2
307.09552	25.4
309.10980	2.1
319.09579	18.4
321.11090	5.6
325.07230	2.1
325.10641	12.3
331.09625	8.7
337.10699	17.3
339.12363	3.4
349.10709	11.8
355.11685	4.3
367.11688	6.6
421.12958	5.6
428.34546	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	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01858	0.8
56.97693	0.6
57.03417	1.7
58.67030	0.6
60.04495	1.8
61.02898	0.7
65.97317	0.5
69.03413	12.6
70.06583	1.0
71.04969	1.5
71.57844	1.4
72.08121	0.7
73.02896	0.7
78.03442	8.6
80.04993	2.4
81.03406	14.2
81.04501	1.1
84.08086	0.7
85.02895	8.6
86.09676	1.2
87.04438	1.2
96.04469	4.6
97.02876	6.9
98.20874	0.7
98.97573	0.6
99.04455	3.7
100.48544	0.6
102.43789	0.6
105.06998	0.6
106.02898	46.6
107.03236	0.7
109.02862	8.4
110.06072	0.7
111.04398	0.9
117.05470	2.2
119.04904	1.0
122.02358	1.2
124.03933	100.0
125.04269	1.0
125.07132	0.8
127.03904	23.2
127.04860	1.2
133.06500	0.6
137.05952	1.0
140.03380	0.7
141.64633	0.6
143.08191	0.6
145.04959	1.1
147.04355	1.0
161.05974	1.7
166.04984	1.8
181.04851	0.6
211.84697	0.6
232.06075	2.6
250.07097	14.7
250.09717	0.9
259.16476	2.3
268.08121	58.4
269.08524	1.8
420.14935	7.4
420.19940	1.0
421.21811	1.0
427.31219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27407	1.4
57.03431	21.0
59.05001	3.3
67.04224	2.4
69.03059	3.5
69.03423	66.9
70.06586	9.7
70.54884	6.4
73.02909	2.2
75.04455	3.1
76.38829	1.6
78.87466	1.5
79.05483	3.0
81.03410	2.0
82.06548	2.3
84.08142	2.1
85.02898	56.3
86.09762	1.8
87.04457	47.6
91.05472	100.0
92.01086	1.8
92.05840	1.8
97.02256	3.4
97.02878	60.5
98.06050	17.9
99.04448	3.3
105.07014	3.0
107.04937	21.6
108.05293	5.9
109.02846	2.7
115.03918	66.9
116.07086	4.2
117.05466	2.8
117.06978	2.1
127.03890	4.8
129.07019	2.2
133.04956	75.9
133.06503	5.1
144.06541	56.5
145.04950	8.1
145.06441	2.4
147.04373	2.7
150.07631	9.5
150.11702	1.7
161.05980	2.5
173.05931	2.1
175.06149	2.3
175.07530	2.5
205.08577	1.9
217.08562	2.1
223.09608	8.0
232.02434	1.6
241.07025	3.5
247.05902	1.7
259.07941	1.6
270.07071	1.6
372.89325	1.7
374.15726	4.2
377.23087	1.5
420.16864	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	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91470	1.1
55.01869	6.5
57.03428	13.6
61.02921	11.6
64.58061	1.1
65.03922	2.8
65.56049	1.1
65.88156	1.6
67.04223	1.8
69.03421	24.1
70.03690	1.2
70.06585	15.1
71.01341	2.7
71.04971	2.2
71.33395	2.5
73.02910	70.8
79.05461	1.7
81.03390	5.3
81.07057	1.5
82.06557	7.2
84.04449	1.5
84.08120	1.4
85.02894	60.9
87.04445	3.5
88.04007	1.2
91.03931	3.4
91.05470	100.0
92.05794	1.9
93.07053	1.3
96.04459	1.4
97.02882	63.9
98.06040	26.7
98.09688	1.1
99.04425	3.4
103.03944	4.0
103.83611	1.2
105.07007	5.5
105.50794	1.1
107.04925	3.6
108.05221	1.1
109.02847	5.5
110.32008	1.1
115.03120	1.9
115.03916	27.3
116.07087	7.0
117.06985	1.8
117.52415	1.3
119.04939	1.8
123.04431	2.0
126.05539	1.1
127.03908	22.4
127.04774	2.2
129.06985	3.9
131.04958	1.3
131.08533	2.6
132.06564	1.6
133.04948	31.3
133.06445	8.6
137.02304	2.0
137.05984	2.9
142.08499	1.3
143.08492	1.4
144.06540	92.1
145.03851	2.4
145.04947	32.2
145.06305	3.0
146.05260	1.8
147.04387	6.3
149.02319	2.4
149.05922	2.1
150.07593	2.8
157.06477	4.5
161.04417	3.2
161.05815	1.3
163.05998	11.8
167.03360	2.6
175.07558	3.1
177.05438	1.8
179.03362	4.7
180.03737	3.2
187.07536	3.5
188.10681	1.4
193.04947	1.6
199.05896	1.4
205.08575	4.3
216.10251	2.2
217.08615	4.0
223.05928	6.2
235.09520	2.0
241.07080	6.8
244.09831	1.2
246.04988	1.2
253.10645	4.5
258.07855	2.9
259.08096	8.1
262.10678	2.6
269.07458	1.4
270.08167	2.1
277.10876	6.1
295.10104	4.0
300.08878	3.3
306.48425	1.2
324.09335	3.4
326.26410	1.3
354.09903	1.9
356.07663	1.6
366.10416	1.2
374.16080	3.2
384.10861	2.0
402.11740	2.5
411.26978	1.2
420.11401	1.9
420.17059	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64623	10.9
54.09874	11.3
55.01869	10.3
56.96552	34.4
57.03432	14.4
61.02927	17.0
65.37963	12.0
67.05513	16.5
68.09451	11.3
69.03423	94.2
70.06577	35.9
70.44451	9.8
71.01360	11.0
71.61764	22.6
72.63932	11.1
73.95806	12.0
74.06072	14.5
78.43465	11.9
81.03415	25.1
81.04527	14.5
84.04493	11.5
84.08123	30.8
85.02892	98.8
86.06064	10.7
86.09680	27.8
87.04469	12.6
91.05477	15.5
95.04947	15.6
97.02863	66.1
97.06495	15.7
98.97573	43.8
99.04407	22.4
106.02902	16.4
107.04935	17.7
109.02870	25.7
110.07197	12.7
110.97561	15.4
116.98596	28.4
119.04881	34.1
120.08098	19.1
121.02816	17.5
121.06484	11.7
124.03952	100.0
127.03899	61.9
127.04855	18.8
128.98599	15.2
135.04347	14.0
136.06131	20.1
137.05966	50.7
140.89682	11.2
145.04886	17.3
147.04384	55.4
150.05467	12.9
158.99699	12.5
167.06973	24.0
179.07018	39.0
180.06534	22.3
185.01273	13.0
219.01797	33.0
219.31009	10.9
237.02777	40.3
252.60016	13.5
258.09601	29.8
258.15485	16.2
259.07544	15.2
268.08133	35.8
330.09900	19.6
420.20096	23.8
429.32062	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	419.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.05500	16.8
57.07036	2.7
60.92548	1.8
65.03920	3.8
65.58425	1.6
67.05499	38.0
69.03416	1.9
69.07054	15.2
69.69322	3.4
69.69741	9.5
71.04256	2.1
79.05481	56.6
81.07043	48.9
83.04970	2.7
83.08607	8.1
86.50675	1.7
87.00849	2.4
88.16032	2.2
91.05466	54.5
93.07031	77.2
95.04942	10.1
95.08589	66.4
96.08944	2.5
97.06514	25.0
97.10149	3.4
103.05446	4.4
105.07017	100.0
107.04834	1.8
107.08579	99.9
108.08968	2.0
109.06501	4.8
109.10141	30.6
111.08052	4.0
113.05976	2.4
115.05380	2.5
117.06986	14.4
119.04967	2.2
119.08564	67.4
121.06496	8.7
121.10123	49.6
123.08054	4.9
123.11696	11.7
125.05968	3.1
128.06206	3.5
129.07002	11.9
131.08546	27.7
133.06482	4.6
133.10107	35.4
135.08057	10.2
135.11674	26.6
137.05966	3.5
139.07503	7.6
142.07755	6.9
143.08545	18.8
145.06354	2.5
145.10107	38.7
147.08002	2.6
147.11655	25.6
149.05931	2.3
149.13249	23.9
151.07539	4.6
153.09091	6.4
155.08514	2.4
156.09312	7.7
157.10086	23.6
159.11682	24.4
161.09612	3.6
161.13266	10.3
163.07477	3.6
163.11166	2.2
163.14796	4.8
165.09084	3.6
169.10092	4.4
171.08046	5.6
171.11674	24.3
173.09624	5.9
173.13249	14.8
175.11214	2.2
175.14778	8.1
177.09100	5.8
177.16434	2.2
179.10732	6.1
183.11638	5.9
185.09674	5.3
185.13213	18.5
187.11153	2.5
187.14772	17.0
189.09103	8.1
189.16386	16.0
191.10620	11.5
193.12238	2.8
197.13165	2.6
199.11124	4.5
199.14803	5.3
201.12727	3.7
203.10675	7.2
205.12184	8.0
209.13345	2.5
213.12793	4.4
215.10596	1.9
217.12170	12.2
219.13824	5.0
225.16324	2.3
227.17894	11.1
231.13768	7.0
241.19464	27.3
243.21095	3.1
259.20526	3.9
269.19031	13.6
285.14716	6.6
287.20004	24.8
295.13806	2.0
329.13776	2.0
355.15283	3.2
373.16400	3.6
391.21115	4.1
401.15866	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	419.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.0
55.01875	9.3
55.05494	7.5
62.19033	5.9
63.19848	5.9
65.03920	6.2
67.77975	5.9
69.03419	15.7
69.07065	8.8
70.06599	9.2
70.80029	14.0
79.05489	27.2
81.03404	6.5
81.07032	12.1
81.74598	6.4
85.02877	12.5
85.07671	6.9
91.05450	14.6
93.07034	12.9
95.04961	10.3
95.08589	14.3
97.02869	17.4
97.06524	17.8
99.04497	9.7
105.07016	22.2
107.04950	32.2
107.08604	11.9
117.07014	10.1
117.31257	6.7
118.04176	7.4
119.08552	7.8
123.04456	19.9
124.05122	8.6
129.06978	9.5
130.55589	5.7
131.04919	10.4
131.08604	7.3
133.02773	6.7
133.06444	17.8
137.05949	13.0
145.06433	9.4
147.04405	21.2
147.11667	7.8
149.07253	6.4
153.12770	7.8
157.06454	7.6
159.08076	6.4
161.05940	19.0
165.05418	7.5
167.07040	100.0
168.07410	14.7
173.05951	9.5
174.06256	7.2
177.05473	11.7
181.04971	31.1
181.08298	6.7
182.05399	8.4
191.06987	11.2
205.08601	16.8
208.05089	17.9
209.08080	8.5
212.93974	7.1
217.08540	15.0
219.10141	6.6
235.16951	7.5
247.09631	16.8
249.11212	7.7
257.04477	7.7
257.07715	7.9
269.08087	22.1
287.05524	28.5
291.10141	6.7
315.08588	87.4
330.10992	92.8
351.12482	11.5
373.08792	9.0
383.14615	19.4
401.16092	16.6
419.16187	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	419.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.5
55.01868	12.6
55.05500	5.2
57.03419	11.9
57.07074	19.9
59.04990	13.4
61.02911	5.1
63.77479	2.5
67.05493	14.8
68.99779	8.5
69.03419	46.5
69.07063	15.6
69.07374	2.9
69.50768	11.8
69.51197	10.6
70.06568	3.3
71.04969	8.3
73.02896	9.2
79.05475	3.3
81.03412	45.2
81.07030	10.3
83.04932	3.2
83.08607	5.0
84.08104	2.8
85.02892	73.5
85.06523	11.3
87.00819	31.2
91.03940	5.5
91.05484	6.4
93.07008	5.5
95.04951	4.8
95.08005	4.7
95.08592	71.9
97.02879	30.4
97.06525	8.1
98.21593	2.6
99.04433	19.1
99.08066	16.3
103.03981	3.0
105.01851	23.3
105.06990	2.9
107.04936	4.0
107.08594	9.5
109.02872	37.6
109.06503	7.9
109.10130	17.7
110.48391	2.4
111.00779	2.6
111.08043	8.6
111.11743	2.6
113.09630	58.8
115.03923	3.9
117.01835	4.0
127.03896	61.6
127.11168	9.3
129.01797	5.9
135.11668	18.0
137.13242	8.0
145.04944	24.0
145.10318	2.6
147.02843	3.6
147.04424	3.4
151.03831	3.7
151.07512	4.5
153.12726	100.0
155.14310	24.1
159.02858	24.2
163.07384	3.8
167.07008	7.7
168.07462	3.7
171.13794	17.0
181.08553	11.6
195.13812	3.2
213.03827	3.6
231.04994	10.0
287.05487	40.6
288.05661	4.1
299.05289	3.7
329.06427	3.7
391.34949	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	419.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
55.01870	1.7
57.03403	1.5
61.02894	1.0
64.82378	0.7
65.03928	2.0
67.05480	2.4
68.99788	0.8
69.03433	1.8
69.03967	0.8
69.07051	0.9
71.62154	0.9
71.62537	1.4
76.75521	1.0
79.05479	1.9
81.03400	2.6
81.07037	1.8
83.01333	1.9
83.09866	0.8
85.02910	5.2
87.04462	2.2
91.05465	6.2
93.07044	0.9
94.45975	0.8
95.01301	2.9
95.04967	4.6
97.02876	2.5
97.06488	1.1
103.05468	1.4
105.03394	5.4
105.06995	1.1
107.04948	9.2
109.02865	1.1
115.05410	1.9
119.04921	16.4
119.05731	1.3
121.02843	3.8
121.10132	1.6
123.04392	7.2
127.03938	0.8
131.01283	1.6
131.04913	3.3
132.16756	0.9
133.02806	4.0
135.04346	0.8
137.02310	3.1
143.04822	0.9
145.06480	1.7
147.00670	1.1
147.04385	39.7
149.02327	23.4
149.03546	0.9
151.03893	8.1
159.04367	2.1
161.02330	7.0
161.05928	1.5
163.03908	3.8
167.03378	38.9
167.07060	1.0
168.03694	1.0
170.07948	1.7
171.04388	2.9
173.02347	2.4
175.00217	0.8
175.03880	19.0
177.01849	2.2
177.05411	2.2
179.03372	100.0
180.03682	2.7
181.01224	1.8
181.08656	1.2
187.03969	3.9
188.06993	1.2
189.01733	1.6
189.05539	5.6
191.03346	3.3
193.01361	2.1
193.05052	2.2
196.05835	1.3
197.07042	1.0
199.03799	4.2
201.01840	1.1
201.05566	1.9
203.03363	23.3
205.04968	1.7
215.03366	13.8
217.04875	4.7
221.04478	0.9
222.07423	1.0
225.06670	0.9
226.06622	1.7
227.03381	3.8
229.05261	0.8
233.04430	14.8
235.05989	1.7
235.55569	0.9
245.04436	12.6
255.06583	0.9
257.07941	4.6
263.05090	1.1
263.07294	1.4
269.08041	15.5
270.08447	1.2
274.10645	1.6
275.11011	1.9
277.08511	0.9
281.08142	8.7
286.09009	1.8
287.05533	0.9
290.13287	1.7
291.10110	1.0
293.08029	1.6
296.07437	2.0
299.09094	44.0
300.09381	2.2
301.12509	0.9
307.09341	1.3
309.13019	1.2
311.09015	1.1
314.08517	1.7
315.14029	2.6
319.09592	2.0
323.09085	35.3
324.09317	1.9
327.14117	1.0
331.02686	3.1
335.09094	19.0
347.09122	24.9
348.09335	2.4
353.10153	10.9
359.10367	1.9
365.10062	10.3
373.14731	1.8
383.10992	11.2
401.11835	7.2
419.14517	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	419.1332
Annotation	3'-C-Glucosylisoliquiritigenin
Peak:m/z	Relative Intensity
55.01860	3.2
55.05501	3.6
57.03424	3.6
58.36045	2.1
67.05484	5.6
69.03428	4.3
70.06583	5.6
71.35429	2.1
71.63831	3.4
72.08143	5.4
72.99670	2.2
73.02898	4.3
77.02380	2.1
79.05476	3.1
81.03408	5.4
84.08123	3.3
85.02885	17.1
85.06558	2.6
85.07658	4.2
86.09716	2.6
91.05467	53.7
95.04935	4.7
95.08581	3.5
97.02873	14.6
97.06455	3.9
105.03380	20.2
105.07049	4.1
106.02917	8.5
107.04940	10.6
109.02866	4.6
109.06529	2.9
109.10146	3.4
111.04497	3.2
113.09607	3.5
115.05475	2.8
119.04951	3.2
119.08474	2.4
120.08150	3.5
121.02871	3.7
123.04440	3.1
124.03941	18.6
130.06520	3.5
131.04907	2.3
135.04396	2.6
135.08020	2.8
137.02321	5.1
137.05937	4.2
141.06969	2.2
147.04411	4.4
149.02319	8.2
153.01807	3.1
153.12756	5.7
161.02258	3.4
161.06067	2.5
161.09605	4.0
164.06984	2.7
165.01797	2.3
165.06982	7.0
167.03403	5.0
167.07130	4.5
167.08565	7.4
175.03958	3.5
177.05505	3.8
177.06999	5.5
178.07794	15.1
179.03419	5.1
179.08531	49.9
181.06467	3.4
191.08440	2.8
194.07263	5.8
195.08105	12.5
202.07762	3.1
207.08017	79.1
209.05971	12.6
210.06752	4.6
211.07431	3.7
213.05608	2.4
214.82861	3.3
221.09586	4.5
223.07521	100.0
224.07835	3.7
225.09117	15.5
235.07516	33.6
235.11086	4.0
237.09117	2.8
247.07254	2.3
249.09053	14.5
251.07022	20.0
252.07828	5.4
253.08560	92.0
254.08835	3.3
260.01346	4.3
260.09189	3.0
261.09326	3.3
263.07059	9.0
265.08777	3.1
268.08142	9.0
271.00604	10.3
273.09052	5.1
275.03912	2.6
275.07047	3.8
277.08530	54.6
281.08047	53.3
285.12302	3.5
287.05411	34.1
288.00821	5.5
291.10110	4.7
295.09503	3.2
299.05545	3.6
299.09045	5.5
300.06125	3.0
303.03192	21.9
305.08041	13.6
307.09479	24.5
308.09875	2.6
319.09637	18.8
329.06723	6.2
331.02667	21.3
333.04315	4.0
335.09106	6.4
337.10672	15.7
345.09613	4.4
347.09003	5.0
355.11725	13.6
373.12756	47.9
374.12872	3.4
383.11279	2.8
419.09604	3.1
420.07431	5.9
420.12732	7.1
430.84070	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	419.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34065	1.1
53.03931	1.4
55.01852	3.0
57.03420	1.4
60.04480	1.2
61.02901	1.4
65.03934	1.5
67.05476	1.8
69.03399	3.1
70.06583	10.4
71.57526	2.2
72.08146	3.6
73.91136	1.1
76.14268	1.2
79.05480	3.7
80.99339	1.0
81.03405	2.3
81.07030	1.1
83.04982	1.7
84.08127	2.8
85.02881	5.1
86.06035	1.2
86.09700	4.7
87.04436	1.5
91.05479	5.4
93.03382	1.5
93.07024	1.2
95.01321	3.5
95.04974	4.0
97.02888	5.7
97.63326	1.1
103.03933	1.3
105.03352	6.3
105.07005	2.6
107.04951	9.1
109.02892	2.1
109.24094	1.2
110.07066	1.1
111.04408	1.1
115.05442	2.0
119.04920	18.2
119.08566	1.1
121.02827	4.6
121.06438	1.1
123.04408	7.3
125.06021	1.1
127.03894	1.9
131.04874	1.7
133.02853	3.6
133.06502	2.2
135.04402	2.0
137.02333	11.3
137.05948	3.4
147.04382	37.9
149.02325	18.8
149.05936	1.3
151.03888	9.9
161.02310	7.3
161.05971	2.1
163.03882	3.6
167.03377	52.9
167.44447	1.2
169.06346	1.3
171.04333	2.1
175.03871	19.5
177.01831	1.6
177.05423	1.3
179.03365	100.0
180.03670	2.7
187.03885	4.0
189.05496	7.3
191.03372	4.9
193.04865	1.9
197.06010	2.2
199.03954	2.8
201.05708	1.3
203.03348	24.2
215.03331	10.6
217.04985	4.6
227.03371	3.5
233.04399	26.6
239.06856	1.4
245.04428	14.3
257.08105	2.6
262.06989	2.2
263.05484	4.5
269.08069	13.1
277.08536	1.8
281.06549	4.7
281.08072	6.8
293.08151	1.7
295.09686	3.1
299.09161	34.7
300.09433	2.0
309.07568	1.4
323.09109	28.7
323.12787	2.1
335.09210	12.1
347.09052	15.1
353.10178	11.4
365.10184	8.3
383.11224	11.0
401.12436	4.3
419.13416	11.5
419.17844	1.2
420.16464	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	419.0967
Annotation	Juglanin
Peak:m/z	Relative Intensity
55.01849	0.7
57.03412	0.7
61.02922	1.2
65.03937	0.3
67.05451	0.3
68.99776	0.7
69.03422	0.5
69.48457	2.2
71.01332	0.5
72.80173	0.3
73.02910	11.7
79.05482	0.4
81.03400	0.2
81.45290	0.3
85.02882	0.6
90.29929	0.3
97.02888	0.4
105.03353	0.5
107.04925	1.0
109.02865	0.3
111.00770	0.9
111.04393	0.5
112.36618	0.2
115.03909	1.0
115.05413	0.4
119.04964	0.4
121.02855	8.0
122.29424	0.2
133.02843	0.7
135.04434	0.3
137.02313	1.0
145.06433	0.4
147.04407	1.9
149.02373	0.3
151.03883	0.3
153.01808	4.6
157.06462	0.7
161.02377	0.5
163.03838	0.4
165.01865	1.6
167.03387	0.5
169.06458	0.3
171.04413	0.4
173.05957	0.4
179.03403	1.4
183.02905	1.1
185.05939	0.6
189.05580	0.3
191.03371	0.3
197.05908	0.3
203.03394	0.7
213.05476	1.9
225.05515	0.3
227.07083	0.3
229.04945	0.6
231.06583	0.8
241.04887	0.7
243.06464	0.5
245.04369	0.6
249.03876	0.3
255.06674	0.3
258.05176	1.1
259.06003	0.7
269.04242	0.3
271.05807	0.6
281.08063	0.4
283.06073	0.7
285.03925	0.3
286.04669	0.8
287.05463	100.0
288.05820	2.3
295.05838	0.3
297.07568	0.3
299.05481	8.9
299.08765	0.4
300.06219	1.7
311.05496	1.4
313.07013	2.3
323.05487	0.7
323.09018	0.4
325.06970	2.0
327.08582	0.5
329.06503	6.5
337.07022	2.7
341.06451	0.9
347.09232	0.3
353.06531	5.1
355.08087	0.4
359.07574	1.0
365.06531	1.7
383.07581	8.6
384.08044	0.5
401.08652	4.0
419.09689	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	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.16071	0.8
55.01858	0.9
57.03420	2.1
57.07054	0.9
59.04985	1.2
66.34208	0.6
67.05471	1.0
68.99780	1.3
69.03421	8.0
69.07056	0.7
70.06573	0.8
70.09569	3.1
79.05451	1.1
81.03399	2.3
81.07041	1.5
84.08140	1.7
85.02899	5.6
85.06529	0.9
85.07666	4.2
87.04455	3.6
88.03422	0.6
93.07018	1.5
95.04951	1.8
95.08591	2.7
97.02891	4.3
99.08086	1.0
101.57007	0.7
105.01842	0.9
107.04964	1.7
109.02857	1.8
109.10133	1.0
113.09628	2.5
115.03909	2.9
119.08539	0.8
121.02850	5.6
123.04379	0.7
127.03891	2.2
127.69438	0.7
132.05385	0.6
133.04941	1.7
137.02376	0.9
147.04391	1.6
151.07507	0.9
153.01813	4.8
153.12721	3.8
159.02907	1.5
165.01819	2.2
167.06992	2.5
168.07401	0.9
171.13789	0.9
177.05460	1.0
181.04942	0.9
181.08588	2.0
183.02896	1.9
193.12486	0.7
199.79337	0.6
212.80255	0.6
213.05441	1.2
231.06535	0.9
241.04865	1.5
258.05246	0.9
269.04648	0.7
287.05466	100.0
288.05780	3.7
299.05441	8.2
300.06146	1.1
311.05670	1.2
325.07190	0.8
329.06464	7.0
337.06754	0.8
353.06577	1.4
371.07373	0.9
373.67563	0.7
383.07574	3.0
419.09723	2.0
432.79218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92711	0.2
52.02594	0.2
60.04503	0.2
61.02925	0.3
69.03410	0.7
70.06565	0.4
71.31000	0.4
72.08173	0.2
74.06047	0.2
74.78189	0.2
78.03432	1.0
80.05006	0.6
81.03403	0.3
85.02885	1.7
86.09675	0.4
87.04434	0.2
96.04482	0.9
97.02879	100.0
98.03214	1.6
99.04443	0.2
106.02189	0.3
106.02901	5.3
111.04512	0.3
119.04976	0.3
124.03936	9.2
127.03908	0.7
131.04904	0.3
140.07076	0.3
145.04932	0.4
147.04379	0.7
158.59064	0.2
168.06500	0.3
175.04002	0.4
196.06075	0.3
220.06012	18.4
221.04401	0.7
221.06343	0.5
225.51463	0.2
238.07056	2.8
255.12018	0.2
256.08127	5.3
256.10715	0.3
257.08484	0.2
268.08215	0.2
400.12338	4.5
418.13531	1.0
419.14203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68592	1.0
55.01856	1.2
57.03413	1.1
61.02908	2.2
62.25359	0.8
66.93958	0.7
69.03419	5.7
69.87577	2.0
69.87988	3.8
70.06584	3.3
72.08174	0.8
73.02914	1.0
74.06062	1.1
79.05484	2.9
81.03394	2.1
83.04942	1.1
84.32627	0.9
85.02892	17.5
89.99387	1.0
91.05464	1.1
94.95444	0.9
95.04966	1.2
97.02871	8.7
99.04448	1.5
103.05441	7.0
107.04912	4.8
109.02850	2.1
110.03638	1.7
119.04939	1.6
121.06499	0.9
123.04397	6.6
124.03954	6.1
127.03884	4.0
130.65474	1.0
131.04895	20.6
132.05374	0.9
135.04424	1.7
145.04935	2.4
147.04385	18.9
149.05963	8.4
151.07368	0.9
159.04396	3.5
165.05460	7.2
175.03888	33.6
176.04570	1.4
177.05446	28.9
187.04909	1.1
193.04909	10.4
203.03363	30.3
214.08580	1.3
215.89807	0.9
220.05975	1.0
221.04410	100.0
222.04771	2.7
239.05484	21.4
239.07809	1.7
242.08023	1.2
253.10925	1.3
262.07062	1.3
268.08188	1.3
286.09152	3.0
379.62497	1.0
400.14267	1.0
418.14774	6.8
419.15134	1.1
440.98621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
54.92158	1.2
55.01864	1.4
56.05027	1.4
56.96556	10.1
57.03420	4.6
58.06613	1.8
61.02916	4.1
65.03928	3.0
67.05497	4.3
69.03416	16.6
70.06577	4.3
71.04980	2.3
71.58768	2.0
72.08134	3.6
73.02914	2.5
79.05478	3.9
81.03389	8.4
81.04521	4.4
81.07051	2.3
84.04467	2.0
84.08122	4.3
85.02892	20.7
86.09690	3.0
87.00812	2.7
87.04427	2.3
91.05434	1.6
92.04978	4.6
95.04945	2.4
95.06096	2.2
96.08147	3.4
97.02878	14.7
97.06488	1.8
98.97578	9.4
99.04422	2.5
106.02918	6.4
106.06539	25.9
108.08100	100.0
109.02857	4.7
109.05182	1.4
109.08470	1.8
115.04044	1.3
116.98608	6.9
120.98008	1.2
121.06452	1.6
123.06803	7.9
124.03928	4.3
124.07572	26.0
125.07104	6.3
127.03921	6.4
128.98586	3.9
131.00168	1.5
134.05989	16.5
134.99620	2.4
136.07574	15.2
137.05908	7.3
143.08130	2.5
145.04930	1.5
146.99632	2.7
147.04384	6.4
149.05930	2.6
150.05511	2.9
152.07040	81.5
159.03113	1.6
161.01180	2.2
161.05894	2.1
164.07063	3.3
166.08598	3.0
170.08116	21.5
173.01212	1.7
177.00684	3.2
179.06993	4.2
187.06038	2.5
190.98726	1.7
191.07013	1.7
204.08647	2.9
205.73421	1.4
206.02003	1.4
208.09723	2.0
219.01712	3.4
220.05882	3.3
229.39861	1.6
237.02809	4.2
238.10710	6.2
239.02333	1.6
239.13840	2.7
256.11731	14.5
257.03287	2.8
257.14914	27.4
269.03372	1.6
271.76559	1.8
304.03842	1.7
332.13330	6.3
338.12210	1.6
356.13324	10.1
374.14456	13.5
384.91171	1.4
400.12296	15.2
413.07443	1.9
418.13318	37.2
419.14471	2.5
419.20209	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	417.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
53.36097	2.9
55.05496	14.5
57.07061	6.7
65.03937	4.5
65.62458	2.9
67.05493	24.1
69.07053	18.3
71.04971	5.3
71.60538	4.4
79.05472	21.4
81.07048	36.1
83.08611	6.2
85.06541	3.2
91.05458	40.8
93.07033	48.8
95.04947	14.2
95.08589	40.9
97.06533	4.7
103.05476	4.7
105.07012	72.2
107.04931	3.2
107.08575	64.7
109.06491	66.6
109.10142	31.6
111.08031	7.2
114.43996	2.9
115.05470	5.2
117.06986	19.0
119.08562	79.0
121.06459	11.1
121.10133	74.6
123.08044	14.4
123.11718	22.8
128.06192	9.6
129.06981	15.8
130.07788	3.9
131.08543	40.9
133.06464	6.8
133.10115	78.6
135.08035	11.3
135.11671	41.4
137.05969	3.8
137.09619	5.8
141.06953	4.9
142.07758	23.0
143.08530	41.3
144.09302	6.2
145.10098	49.4
147.08020	20.4
147.11691	16.1
149.09581	10.2
149.13252	4.6
153.07034	3.4
155.08553	16.3
156.09326	13.7
157.10107	57.9
158.10843	4.7
159.08061	9.3
159.11700	33.8
161.09608	14.7
161.13246	8.7
163.07475	4.4
163.11185	6.5
165.07004	9.6
166.07774	4.7
167.07144	4.9
167.08563	7.9
168.09329	11.3
169.10083	31.9
170.10899	3.9
171.07997	4.5
171.11646	28.8
173.09608	17.6
173.13210	23.5
175.11165	9.8
175.14816	19.0
177.16399	4.6
179.08508	12.4
180.09210	7.4
181.10110	15.7
182.10866	7.2
183.11664	24.5
185.09579	9.9
185.13150	15.3
187.07603	4.4
187.11143	10.8
187.14751	19.1
191.08693	3.7
192.09335	7.2
193.10121	17.2
194.10884	9.8
195.11661	28.4
196.12495	3.7
197.09573	9.8
197.13277	14.6
199.11191	9.2
199.14833	13.1
201.12737	4.4
201.16309	5.5
203.10484	4.3
204.09410	3.9
205.10149	4.7
206.10872	10.4
207.11681	22.8
208.12471	7.0
209.13200	23.0
211.11139	11.0
211.14818	12.8
213.12720	9.5
213.16345	13.6
217.12234	4.6
219.11667	13.2
220.12434	14.2
221.13187	22.9
223.11131	7.0
223.14803	14.2
225.12787	7.8
225.16393	6.9
227.14290	5.1
227.17996	4.5
231.11679	6.3
232.12505	3.8
233.13243	15.6
234.13866	5.8
235.14732	13.4
237.12726	8.4
237.16382	7.6
239.14296	5.6
239.17815	6.6
241.12350	4.4
241.19492	9.9
244.12369	5.1
245.13190	5.7
247.14786	8.7
249.16397	9.6
251.14334	9.5
253.15916	10.8
253.19203	5.3
257.13135	5.5
258.14191	3.3
259.14795	7.9
260.21762	3.7
261.16318	7.1
263.14288	3.9
265.16022	3.3
269.18753	4.7
270.14099	3.5
271.14777	4.8
273.16153	4.9
275.18060	5.9
277.15927	7.5
277.19440	5.5
279.17212	5.2
281.18973	8.4
283.69586	3.5
285.16220	6.4
287.17917	4.3
295.16882	4.6
301.19385	4.8
317.22397	3.9
319.20734	4.1
340.22592	3.5
341.22525	6.3
343.20544	6.3
357.25717	9.6
359.23749	10.3
373.25269	3.6
375.26807	17.9
389.28381	4.0
399.26779	27.5
417.27707	100.0
417.36447	4.0
418.28012	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	417.1174
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.30021	0.8
70.06566	1.1
70.41461	0.9
71.11831	2.4
77.43773	0.8
78.45921	0.8
85.02089	0.8
86.09682	0.8
91.05466	1.3
98.29227	0.9
107.04910	1.0
109.02843	0.9
119.04908	2.6
121.02860	4.7
145.02831	5.2
147.04350	1.3
149.02275	2.1
163.03941	1.2
175.04018	1.3
179.03386	1.2
239.07008	21.8
240.07758	16.4
240.80815	0.9
241.08243	0.9
245.10747	1.0
252.07918	1.4
254.05653	0.9
255.06418	1.3
267.06491	64.7
268.07254	51.9
269.08063	4.2
279.06470	15.0
281.08072	23.9
292.07181	2.2
293.08035	3.0
295.05975	3.8
297.07544	100.0
298.07919	3.4
305.08057	1.6
306.09265	0.9
307.06116	2.2
307.09549	18.0
309.07529	6.9
311.08887	1.2
321.07544	16.6
327.08649	9.4
333.07379	1.4
335.09067	7.0
339.08524	2.5
341.13232	1.0
351.08627	16.1
352.08844	1.1
363.08578	14.3
371.83646	0.9
377.30786	0.9
381.09653	33.1
399.10706	45.2
400.11127	1.4
417.11740	91.5
418.12076	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	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62790	0.6
55.01861	0.9
57.03423	1.4
61.02909	0.6
65.03926	1.0
67.05485	1.4
68.81707	0.6
68.99778	1.1
69.03401	0.7
69.07059	0.6
70.80306	1.5
78.04691	0.8
79.05470	1.8
81.03384	1.4
81.07028	1.1
83.04986	0.5
84.08135	0.9
85.02884	1.9
91.05464	1.5
93.07001	0.6
95.04943	1.2
97.02851	1.5
97.06532	3.9
97.10198	0.6
103.03911	0.7
103.05436	2.5
105.03377	5.4
106.04145	0.8
107.04931	2.0
109.02850	1.3
115.05462	0.8
117.06988	1.5
118.68749	0.5
121.02874	1.1
123.04409	2.2
124.05249	0.7
127.05425	0.6
129.03325	2.5
131.04877	0.7
137.05923	0.9
137.39943	0.6
141.01773	2.1
145.06474	2.2
147.04391	2.7
147.50581	0.6
149.02332	1.9
163.03857	1.5
165.01825	9.6
165.07031	0.7
167.03395	3.9
167.07016	28.0
173.05974	4.4
176.93306	0.6
177.01839	0.6
177.15498	0.5
181.04932	9.9
183.02892	4.4
187.03937	1.0
191.03447	1.1
191.06982	1.1
201.05460	0.9
205.04971	0.8
205.08536	1.2
212.04553	0.6
212.08311	0.5
213.05411	1.4
215.03148	0.5
223.07523	1.8
224.08119	0.6
233.04486	0.8
233.08128	2.3
235.09575	1.0
239.07059	0.9
240.07518	0.7
243.02908	0.7
250.62852	0.6
251.06973	10.5
253.04890	0.6
254.05684	2.8
255.06499	6.1
257.04504	1.1
261.03986	0.7
263.06952	1.6
265.08563	8.6
267.06491	100.0
267.77902	0.6
268.07114	11.6
269.04477	0.8
269.07922	0.9
277.08621	0.9
278.05573	0.8
279.06531	11.8
279.10062	1.8
281.04672	0.7
281.08023	3.2
289.08527	3.9
291.06552	2.3
292.07172	1.4
293.04456	1.7
293.08008	21.2
294.08478	1.0
295.06082	0.8
297.07544	65.3
298.07806	2.3
301.03244	1.1
305.08072	2.8
307.06174	1.1
307.09610	13.1
313.03403	0.7
317.07904	4.2
319.05927	1.0
321.07523	34.3
322.07867	1.4
333.07465	9.8
335.08997	2.0
345.07526	10.4
346.07764	0.9
351.04199	1.0
351.08563	17.6
352.08987	0.7
363.08585	15.4
371.11206	0.8
381.09595	14.6
381.14047	0.9
387.14313	4.4
399.10617	9.5
403.01907	0.6
417.11365	3.3
417.15427	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	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01867	3.6
57.03422	1.8
59.05020	1.0
61.02913	0.9
65.03925	1.7
67.01859	1.0
67.05499	2.5
68.99758	4.6
69.03409	1.1
69.50948	7.4
70.06570	1.5
72.08144	2.4
76.96059	0.8
79.01839	1.4
79.05476	2.9
81.03410	3.9
81.07036	0.8
83.04945	1.1
85.02887	7.9
86.09689	3.7
91.05453	6.3
93.03406	2.1
95.04954	9.9
97.02898	5.4
98.21465	1.6
99.04490	1.1
103.03922	2.4
103.05471	1.0
105.03378	1.2
105.07059	0.9
107.04954	6.0
107.08583	1.1
108.71425	0.9
109.02880	8.1
109.06488	0.8
111.04436	1.7
115.05492	1.0
119.04922	10.8
119.08599	1.2
121.02849	23.0
121.06496	2.9
123.04427	9.7
127.03934	1.0
131.04915	1.2
133.02821	1.3
133.10062	0.8
135.04390	6.8
137.02295	4.1
137.06015	0.9
141.01797	3.4
141.88441	0.9
145.02840	2.4
145.05272	0.9
145.06383	1.6
147.04388	30.3
149.02324	3.5
151.03857	2.5
152.88771	0.8
153.01817	4.7
159.04411	1.9
163.03886	23.6
165.01816	54.1
165.05591	1.6
167.07036	10.2
167.08379	1.3
168.54886	0.8
173.05951	1.8
175.03891	3.8
177.01813	30.7
177.05402	1.4
178.02208	1.1
178.99730	1.2
179.03380	2.9
181.05002	3.0
183.02872	34.3
187.03853	4.2
189.01793	9.0
190.02556	0.9
191.03365	68.1
193.01341	1.2
195.02867	11.1
197.00807	2.5
199.03970	1.6
199.07593	1.0
201.01898	0.9
203.03343	6.2
205.04897	5.5
207.02893	7.4
209.00826	2.1
209.04433	4.4
215.03345	5.2
217.01375	3.2
219.02856	100.0
220.03200	3.0
231.02852	34.6
232.03191	1.0
233.04414	4.6
233.07881	1.1
237.03848	3.8
243.02812	10.1
243.06581	1.1
249.03883	17.5
255.06490	70.8
256.06833	1.2
261.03897	41.8
273.07553	3.7
279.04904	9.8
285.07544	49.9
286.07864	1.6
297.07666	35.3
298.07828	1.1
309.07535	1.3
311.05551	1.1
311.09012	1.6
321.07196	0.9
339.08585	69.2
340.08972	3.1
351.08578	28.9
352.08859	1.2
363.08612	10.6
369.09677	3.5
381.09653	14.8
387.14453	2.0
399.10748	16.2
417.11264	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	416.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
67.05484	1.1
69.83180	0.2
70.86958	0.7
75.74127	0.2
85.02891	0.4
94.06554	5.2
97.02877	1.1
98.97572	0.4
106.06535	1.9
109.92210	0.2
122.05998	4.3
122.06846	0.3
150.05479	100.0
151.05832	2.1
168.06537	37.8
169.06889	0.6
237.02705	0.2
252.91455	0.2
373.07617	0.2
416.11993	0.2
418.26422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30293	10.6
69.30720	8.8
85.02909	2.0
98.21422	3.1
98.97530	2.1
123.40720	1.8
150.02960	1.8
184.00014	1.7
187.57231	1.7
237.02890	2.2
243.50095	2.1
306.42709	1.7
373.08963	10.3
396.27701	1.8
417.07855	100.0
418.08295	2.7
418.13431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59488	2.2
55.01851	2.3
56.05033	2.0
56.96545	3.6
57.03407	2.8
60.04539	2.1
66.31035	2.1
68.67435	2.1
69.03429	4.0
70.06561	9.3
70.59459	4.1
72.08136	8.8
79.05448	3.4
81.03383	3.8
83.06069	2.2
84.04451	2.9
84.08122	9.9
85.02901	11.2
85.06529	2.6
86.09684	11.0
87.00838	2.3
91.05447	4.1
95.04935	3.5
97.02892	18.6
98.03210	4.2
98.97573	5.6
107.04910	3.1
109.02814	3.7
109.06461	2.1
110.97555	2.3
111.04419	5.6
116.07044	3.3
116.98615	4.9
119.04893	3.7
121.02840	4.7
127.03882	6.2
128.98573	3.7
129.10214	5.5
136.06084	3.1
137.05894	2.9
137.14174	2.3
146.99568	2.5
147.04367	6.6
151.07458	4.3
151.11252	2.3
163.11108	6.7
167.07056	3.5
210.31012	2.5
211.14316	2.8
219.01770	4.4
237.02783	12.0
237.14810	4.6
239.06908	5.0
267.06439	5.3
268.07303	3.5
269.08365	2.7
297.07373	8.9
307.09631	2.6
331.06989	2.9
349.07977	14.5
373.08728	11.2
381.09686	3.8
399.10931	3.2
417.07764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	8.6
58.60974	1.7
67.05482	3.2
69.03407	4.8
70.06573	2.5
70.08824	8.7
79.05474	1.5
83.68084	1.4
84.96009	2.2
85.02856	7.2
91.96841	1.5
94.06533	5.9
97.02856	5.1
98.20935	2.9
98.97552	22.3
106.06535	3.0
110.97551	7.1
116.07071	1.5
116.98598	14.9
121.02813	2.2
122.05988	6.3
128.98602	11.0
131.00130	2.7
134.99609	5.0
136.00073	1.4
137.05965	1.6
140.23146	1.5
146.99625	9.9
147.04347	4.8
148.32948	1.7
149.01236	2.4
150.05481	100.0
158.99628	1.8
168.06537	35.1
219.01721	14.4
226.01451	4.1
227.06700	3.8
235.02695	5.4
237.02809	37.5
237.05014	1.4
241.03801	6.1
253.03726	5.1
255.03871	2.6
259.04666	1.9
283.05005	1.7
313.06036	1.9
367.06903	6.0
385.07736	2.4
415.09521	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
55.01857	2.5
55.05248	1.3
55.05505	25.6
57.03423	7.2
57.07068	12.8
58.19765	0.7
58.91372	0.7
62.62608	0.7
67.05146	1.5
67.05492	19.3
68.99777	1.6
69.03405	0.9
69.07059	31.7
71.04961	1.6
71.08620	7.3
71.58443	1.3
79.05486	9.5
80.00523	0.7
80.69110	0.9
81.07043	28.2
83.04956	2.2
83.08607	25.1
85.06519	3.0
85.10188	4.1
87.00810	12.8
91.05453	8.6
93.07026	14.4
95.04925	1.5
95.08025	1.4
95.08597	21.0
97.06519	6.9
97.10154	17.8
98.98476	1.1
99.04367	1.0
99.08064	1.6
103.05428	1.3
105.01872	5.0
105.07011	2.8
107.08581	11.5
109.06506	1.6
109.10125	11.0
111.08056	4.0
111.11703	4.3
117.06974	3.1
119.08564	100.0
120.08897	2.4
121.06458	1.0
121.10128	13.2
123.11680	7.4
125.09589	3.2
125.13232	1.3
129.09087	1.1
131.08571	1.5
133.06451	2.0
133.10088	1.8
134.82069	0.8
135.08069	2.0
135.11676	12.0
137.13219	3.0
139.07497	2.2
139.11136	3.1
143.03386	2.5
143.10638	1.7
145.10060	1.7
149.13235	6.9
151.14777	1.2
153.12695	3.2
157.10027	1.1
157.12210	1.0
161.04414	1.0
161.13199	1.0
163.14801	3.4
167.07080	1.2
167.14362	1.0
177.16383	2.0
181.15959	1.2
189.12733	0.9
199.16855	1.1
217.19472	1.0
219.21048	16.4
237.22101	43.2
238.22455	1.1
255.23160	28.3
256.23636	1.5
261.22098	2.0
277.21454	1.3
277.56396	0.9
279.23135	2.6
295.22653	1.4
296.25992	1.1
297.24112	1.2
311.25778	2.5
323.22086	5.3
329.26703	5.1
341.23172	5.7
397.25800	4.7
415.17584	1.5
415.26825	18.7
439.37268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.5
56.73189	1.7
57.07059	4.0
61.75484	1.6
67.05488	6.8
69.03407	3.7
69.07053	15.1
69.31313	19.3
71.08602	3.8
79.05453	2.4
81.03375	2.2
81.07040	10.6
83.08588	6.7
93.07020	4.9
95.08585	16.8
97.10159	4.3
98.20719	3.0
105.07030	4.9
107.08585	2.6
109.10126	4.7
111.04408	3.4
111.11721	2.8
121.06500	2.2
122.07259	2.6
122.42618	1.6
123.08050	11.1
123.11674	2.8
131.08556	2.3
133.10161	2.3
133.73285	1.7
135.08037	6.4
137.13199	2.0
147.11632	1.8
149.09624	4.2
149.13335	2.1
150.06737	5.6
151.07521	100.0
158.48830	1.8
159.11612	2.7
161.09593	2.0
163.07541	2.0
163.11143	3.9
165.09090	25.8
175.07550	2.3
177.09082	16.1
179.10626	6.2
189.09106	8.2
189.10640	1.7
190.09851	2.2
191.10649	29.1
203.10660	6.7
205.12193	19.0
217.12263	2.6
219.13727	3.5
231.13739	2.3
245.15395	1.9
413.21667	2.5
413.34082	28.4
414.34946	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	413.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91387	1.7
55.01854	1.6
55.05505	53.9
56.05822	1.7
57.03202	1.9
57.03431	24.3
57.07067	57.8
59.04980	1.9
65.77847	1.8
67.05489	24.9
69.03387	2.5
69.07058	78.0
71.08622	36.5
75.00478	2.1
79.05479	13.0
81.03400	5.2
81.07042	38.6
83.04991	4.3
83.08608	53.4
83.69815	1.7
85.10165	19.4
91.05460	3.9
93.07029	16.2
95.08593	37.6
97.06519	13.5
97.10153	34.9
99.11736	1.7
101.05978	2.0
104.71880	1.7
105.07027	3.7
107.08605	13.1
109.10140	14.0
111.08070	7.0
111.11713	10.2
113.09636	2.0
115.07529	2.5
121.10130	12.9
123.11680	7.3
125.09604	7.4
125.13258	3.4
129.09145	3.7
133.10120	4.2
135.11679	13.8
137.13237	4.8
139.11185	9.0
149.13272	10.6
153.12726	5.7
157.10104	1.9
159.11736	2.0
163.14836	7.4
167.14316	6.4
171.13788	1.8
177.16348	4.3
181.15857	3.6
191.17915	2.5
192.71449	2.1
195.17397	4.0
199.16881	1.9
209.19069	2.0
219.21101	2.8
223.20581	2.5
260.39395	1.9
303.30447	8.5
321.31525	14.5
337.52954	1.9
395.35141	19.2
396.35321	2.4
413.12262	2.6
413.21713	4.2
413.30597	4.9
413.36200	100.0
414.36646	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	415.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61085	2.9
70.51842	14.7
72.82029	3.1
76.72690	3.5
85.02841	3.7
94.06544	9.5
138.05475	6.8
221.04886	3.8
285.37234	3.6
302.14810	3.8
359.06616	3.4
415.09915	100.0
416.10355	4.7
432.69861	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	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84327	1.2
56.96306	2.0
56.96559	25.5
57.03419	3.8
61.02914	2.0
61.51131	1.1
63.23866	1.1
69.03424	7.7
69.94486	5.7
70.02087	1.2
70.06579	1.5
70.98126	1.9
71.04963	1.3
71.95245	2.5
72.08159	1.4
73.02895	1.7
74.80278	1.4
81.03404	2.0
84.08078	1.8
84.96014	3.8
85.02899	12.3
87.04426	3.1
97.02888	9.2
97.96804	1.6
98.21488	1.6
98.97569	100.0
99.04464	1.5
102.96889	1.2
109.81718	1.2
110.97557	10.1
112.99107	2.3
114.42136	1.1
115.03883	2.7
115.97848	1.1
116.98608	65.7
119.01900	2.1
119.04935	4.8
120.05245	1.4
121.06448	1.6
127.03899	2.1
128.98595	15.1
131.00137	3.3
133.01736	1.5
134.99651	29.9
137.05951	10.4
140.98540	1.3
143.00153	3.1
144.98087	1.8
146.99623	12.8
147.04381	11.4
148.04715	1.3
149.01175	1.9
150.05399	2.1
152.97046	1.2
153.00685	1.6
157.01717	1.5
158.99638	16.2
161.01189	4.5
162.99088	1.2
170.05214	3.5
170.99664	2.5
174.99106	1.8
177.00693	17.7
177.04291	2.6
179.07010	3.0
188.82326	1.4
189.00705	3.7
190.95357	2.3
193.98770	1.7
194.99883	1.3
195.01659	2.2
195.05284	1.4
197.01099	1.2
197.40773	1.3
201.00690	4.0
211.99806	3.9
219.01740	18.5
219.05144	1.8
226.01442	3.0
227.02209	3.6
227.06734	4.6
230.00952	2.5
232.96413	2.7
235.02821	8.0
235.53255	1.4
236.07277	2.6
237.02769	34.6
238.01414	4.0
241.03839	8.5
244.02368	1.8
245.06752	4.3
250.97379	2.0
251.02200	4.7
253.03931	11.4
256.02554	3.8
256.96460	3.9
259.04706	1.7
259.08392	4.8
260.01968	1.4
268.91190	1.4
269.03287	14.2
271.04892	5.5
274.97437	22.6
277.03784	8.9
277.33508	1.6
287.04434	3.8
292.98541	16.1
294.19727	1.3
295.04926	14.4
302.56732	1.6
311.04282	7.8
313.05872	4.1
325.05930	1.8
337.05774	2.9
340.10812	3.9
348.73642	1.5
367.07028	2.8
373.04059	1.7
406.13239	1.5
415.09543	31.8
415.22989	2.1
433.10229	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	413.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.05505	17.6
55.32499	2.4
57.03439	5.0
57.07066	6.6
61.68708	3.0
62.54100	2.5
67.05496	21.1
68.73897	2.9
69.03416	12.2
69.07062	28.2
69.31209	9.6
69.31627	21.4
71.04945	5.0
71.08612	5.1
71.43391	2.6
77.07800	2.8
79.05486	12.2
81.03414	15.3
81.07056	30.1
83.04951	6.9
83.08613	13.9
85.02892	4.8
91.05469	9.9
93.07040	12.6
95.08591	20.3
97.02899	4.2
97.10162	9.9
98.21484	5.4
105.07032	9.7
107.08573	9.5
108.10665	2.8
109.10155	13.6
111.04401	4.2
111.11706	4.9
112.96083	3.2
117.07024	3.5
119.08575	6.1
121.06458	4.2
121.10146	7.8
123.08084	7.4
123.11699	8.0
127.67624	2.6
131.08568	6.2
133.10117	5.3
135.08041	12.1
135.11684	4.9
137.09607	7.2
145.10078	3.8
147.11613	3.3
149.09590	8.5
149.13266	7.8
151.07527	91.0
151.14668	3.0
159.08075	3.7
159.11662	9.7
161.09598	3.0
161.13255	4.1
163.11192	5.0
165.09099	100.0
173.13176	2.9
175.07500	4.5
176.08392	4.4
177.09096	29.8
177.12776	6.6
179.10649	35.3
187.01845	2.6
187.11111	3.8
189.09091	26.2
189.94876	2.9
190.09966	6.9
191.10652	35.6
195.13835	4.2
203.10675	12.7
204.11476	3.8
205.12209	62.1
217.12094	3.5
219.13727	14.2
221.06668	2.7
269.17203	2.6
304.39294	3.2
367.60550	3.4
413.11884	3.5
413.21295	14.6
413.34137	55.6
414.34552	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	413.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29234	0.9
53.03934	1.1
55.01874	1.2
55.05497	2.5
57.03415	2.3
67.01881	1.4
67.05501	2.7
69.03424	2.3
69.07071	2.6
69.45239	8.8
78.72002	0.8
79.05463	5.4
81.03400	1.6
81.07053	3.0
83.04981	2.5
83.08608	1.3
85.02879	1.0
91.05464	2.7
93.07024	3.2
93.07589	1.2
95.04955	3.6
95.08588	1.9
97.02874	2.5
97.06514	11.2
105.07038	3.6
107.01302	0.9
107.04905	1.1
107.08562	1.4
109.06524	1.4
115.05466	1.0
117.07022	1.5
119.04929	1.1
119.08575	1.0
121.06504	2.4
123.04417	1.8
123.08047	1.1
124.05200	1.3
125.05993	2.5
128.06187	1.0
129.06992	1.5
131.04904	2.1
131.08511	1.2
133.10110	1.1
135.04414	3.2
137.02321	1.4
139.07509	2.6
141.06981	1.7
143.08577	1.0
145.06427	2.5
145.10104	3.0
147.04407	2.2
147.08002	0.9
148.05196	1.3
149.02492	1.0
150.69937	0.9
151.07567	3.5
153.01819	13.6
153.07004	2.2
155.08591	1.8
157.06526	1.2
157.10115	0.9
159.04388	16.5
159.08128	1.4
160.05124	1.2
161.05956	3.3
163.07542	0.9
165.06976	3.3
167.03421	1.2
167.07045	2.8
167.08505	1.7
168.05733	1.7
169.06502	1.0
170.02098	2.9
171.08084	1.5
172.05173	2.2
173.05971	8.9
173.09605	2.5
174.06815	1.7
177.05473	1.4
179.07014	5.0
181.04968	1.6
181.06479	3.9
183.08035	2.2
185.05916	1.9
185.09694	1.5
186.06802	1.2
187.03899	2.9
187.07541	2.0
187.11128	1.7
188.08342	1.5
189.09129	2.5
191.07010	4.8
191.08617	1.4
191.10666	2.0
192.07782	5.5
193.06500	1.8
193.08505	1.6
195.08014	7.8
197.06010	3.5
198.06729	3.7
199.07480	4.5
201.05370	1.4
201.09084	1.8
202.06221	8.4
203.03500	1.4
203.06934	2.2
205.04956	1.3
205.12172	1.1
207.08194	1.5
207.10106	1.3
209.05988	2.5
209.09688	1.0
210.06758	2.1
211.07492	11.6
213.09076	12.5
215.10680	3.1
219.08054	1.2
221.06129	1.2
221.07933	1.0
223.07497	3.2
225.05353	2.5
225.09082	2.1
227.10692	1.0
229.08594	2.3
231.08153	1.0
231.10126	26.8
232.10594	1.8
235.07437	2.2
237.05478	2.4
237.09047	1.7
239.07037	3.8
241.05054	2.2
241.08595	2.0
243.06458	2.2
247.07690	1.1
251.06915	1.6
252.04152	1.2
253.04959	3.3
253.08525	1.3
255.06512	1.5
256.14511	3.3
257.04303	2.4
259.09665	2.7
263.06863	1.6
265.04984	1.5
265.08530	1.4
266.05768	1.2
266.12961	2.0
267.06613	4.7
269.04419	3.2
270.05161	2.3
271.05811	1.5
275.14111	1.3
279.06509	2.1
281.04657	2.3
281.08069	3.5
283.06039	8.5
284.14014	8.0
285.07501	17.5
293.15292	1.4
295.05991	1.8
295.09497	1.6
297.04132	1.3
297.07559	1.1
298.04745	2.2
299.09146	1.4
302.14999	3.9
303.13989	1.4
309.07401	6.5
312.06186	2.2
313.07101	7.9
321.09827	1.2
321.14841	3.9
323.09268	1.5
323.16299	1.2
325.07126	2.0
325.10672	2.8
325.14328	1.9
331.13077	1.5
337.07089	3.5
338.07260	1.2
339.15726	4.3
341.06479	1.2
341.10266	3.2
349.14340	5.3
351.08453	1.5
351.12201	1.3
353.13666	1.9
354.07190	3.6
367.15289	5.2
369.09637	100.0
370.09900	12.3
377.13687	6.2
395.11032	1.3
395.14984	12.9
396.15253	1.5
413.12091	16.4
413.16061	15.8
414.11716	1.2
414.16211	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	413.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84460	1.5
53.03928	3.6
55.01879	6.7
55.02081	1.7
55.05468	4.7
57.03397	3.9
60.22527	1.2
67.05497	7.1
69.03397	1.8
69.07056	14.8
70.79098	4.3
71.04961	2.2
79.05481	30.1
80.06226	4.9
81.07047	9.7
83.04927	4.9
88.14238	1.3
91.05476	13.1
93.07033	9.6
94.07761	4.0
95.04920	5.2
95.08544	1.9
97.06515	99.6
98.06810	2.4
105.07032	7.5
107.04915	1.8
107.08532	3.1
110.02247	1.4
114.91159	1.2
115.05401	2.3
117.06979	1.6
119.04872	2.8
119.08526	4.0
123.04356	2.0
124.20562	1.5
128.06174	2.5
129.06891	5.2
130.70114	1.4
131.04883	2.9
131.08513	4.3
133.06432	3.0
133.10095	6.6
135.04353	2.2
141.06879	3.4
143.04855	1.8
145.06476	1.9
147.04317	3.3
147.11629	2.6
149.02290	3.0
149.09531	1.5
150.03055	5.1
151.64581	1.4
152.06168	2.3
153.01794	15.4
153.06883	2.8
154.07678	2.1
155.08395	1.6
157.06416	2.6
157.10046	2.2
159.04347	3.7
160.05121	2.5
161.05847	1.6
163.03833	1.8
165.06926	3.6
167.08423	3.5
169.06401	6.2
169.10100	1.5
170.01979	4.7
171.07916	2.6
173.06000	9.4
174.06573	1.9
175.03862	2.5
175.11072	4.2
178.02620	1.7
179.08417	5.2
181.06361	4.6
181.10033	3.5
182.07233	2.1
183.04208	1.6
183.07901	2.8
185.05994	6.8
185.09570	2.5
186.06601	2.3
187.03839	1.6
187.07404	5.7
188.08192	3.5
189.05504	1.8
191.03438	2.8
191.08466	1.8
195.08063	7.9
197.05884	5.0
197.09494	4.1
198.06552	2.2
199.07527	19.0
200.04637	3.1
201.05379	1.7
201.09026	4.6
203.03258	6.6
205.06558	1.8
207.07935	3.7
209.05826	2.1
209.09445	5.5
210.06693	2.5
211.07463	9.1
213.05286	5.3
213.08961	4.1
213.41286	1.6
215.06883	2.3
216.04123	17.6
217.04811	3.3
221.09515	2.3
223.07387	5.5
223.11255	2.2
225.09077	13.0
226.09619	1.7
227.03273	5.8
227.06818	2.3
227.10515	3.3
228.03885	3.0
229.04807	3.0
231.02730	6.3
231.06303	3.9
233.04311	1.6
235.07346	4.4
237.05273	2.1
237.09006	4.0
239.06929	3.4
241.04794	4.4
242.05568	2.2
243.06381	4.6
243.10066	2.4
244.03638	12.2
245.04451	10.0
249.09013	2.5
251.06857	1.7
251.10533	2.7
253.04675	2.1
253.08534	6.9
254.05620	1.5
254.09065	1.9
255.02841	18.4
255.05536	2.2
255.06345	2.0
255.10130	2.7
256.03531	2.5
257.04221	5.7
259.05954	9.8
265.12048	3.4
266.12881	6.6
267.10034	2.2
269.08029	6.7
271.05817	17.4
271.09430	5.3
272.02951	5.2
279.13565	5.1
280.14429	2.2
281.07877	4.1
281.11563	4.6
283.02142	3.0
283.05670	2.3
283.09467	2.8
284.02994	4.3
284.14050	11.3
285.03857	3.2
285.07379	6.4
287.05478	19.8
297.07373	5.5
297.10638	1.7
298.04382	2.5
299.05362	2.6
299.08936	3.1
300.02539	8.6
301.03116	3.8
302.04218	12.3
303.13504	1.8
307.12964	1.6
309.10944	1.9
311.09064	2.3
313.07083	11.4
315.04971	73.4
316.05444	11.7
317.06281	5.2
317.09912	2.3
321.14560	3.7
323.12695	2.0
323.16119	5.6
325.13910	2.1
326.07672	2.0
327.04507	3.3
327.08356	1.9
331.12775	2.6
335.12482	1.8
339.15607	1.8
341.06226	1.7
341.10010	2.3
341.17218	1.8
349.14114	4.9
351.11960	2.4
351.15967	2.0
353.09747	2.2
353.13519	5.4
367.15421	8.7
369.09561	7.2
369.16660	4.3
371.10965	2.2
375.22949	1.5
377.13696	8.4
395.15018	17.5
398.09912	2.2
413.11850	100.0
414.12006	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	413.1589
Annotation	Viscosol
Peak:m/z	Relative Intensity
55.01872	0.4
55.05491	0.7
57.03424	0.6
64.69729	0.3
67.05497	0.9
69.03405	0.8
69.07054	0.9
71.04985	0.4
71.61785	0.4
79.05479	1.1
81.03380	0.4
81.07032	1.3
83.01329	0.4
83.04974	0.5
91.05471	1.0
93.07024	0.7
95.04949	0.9
95.08556	0.6
97.06507	4.3
97.10103	0.3
105.07012	0.5
107.04938	1.5
107.08583	0.5
109.06478	0.4
115.05435	0.5
117.07040	0.4
121.06486	0.4
121.10081	0.6
123.04393	0.7
131.04767	0.3
135.04395	2.4
137.06000	0.4
139.07518	0.5
145.06419	0.4
147.04352	0.4
147.11623	0.5
149.05949	0.8
151.07516	0.6
153.01790	0.8
163.03893	4.4
165.01825	1.2
167.07014	0.7
173.05980	0.5
175.03889	0.4
177.01735	0.5
177.05460	1.7
178.06232	11.3
178.07770	0.7
179.03372	1.2
179.06923	0.8
183.02884	0.9
187.03883	0.5
189.05371	0.5
191.03366	10.9
191.06998	1.1
192.03748	0.5
203.03346	0.5
203.07037	0.5
205.04958	3.4
205.08539	0.6
213.05522	0.6
217.04964	1.6
219.06490	3.0
225.09158	0.4
227.06921	0.7
228.04059	0.7
229.04784	0.6
231.06520	0.4
241.04907	0.4
241.08470	0.5
243.06375	0.6
244.03561	0.4
253.05049	0.9
254.05754	0.4
255.02986	0.7
255.06468	0.8
257.04385	0.6
257.07986	0.4
267.02902	1.0
267.06494	0.6
269.07983	0.7
271.06015	3.0
271.08954	0.5
277.08554	0.4
281.04446	2.0
281.07977	0.5
283.06015	0.7
284.03320	0.6
284.10336	3.4
285.07617	1.3
285.11026	0.6
287.05527	0.8
295.06021	0.9
295.09634	0.9
297.07529	0.4
298.04831	0.3
299.05511	2.8
299.08835	0.7
309.03967	0.6
309.11084	0.8
311.05386	1.2
312.02576	0.5
313.07007	2.7
313.10306	0.5
315.05084	1.0
323.05585	0.8
323.09189	1.4
325.07132	1.3
326.04227	0.4
327.04980	4.6
327.08484	0.7
327.12332	1.0
330.06830	0.4
337.07175	0.6
337.10834	0.9
339.04932	1.3
339.08560	0.5
341.06503	5.4
342.07175	0.8
345.09570	1.7
351.08514	0.7
351.12460	0.6
354.14084	0.4
355.11819	2.7
356.08914	1.1
357.09604	3.3
365.10226	1.7
367.11795	0.7
368.08835	1.2
369.09418	2.6
369.13495	0.5
371.11285	3.2
380.12808	0.4
381.13489	1.2
383.11185	43.5
384.11530	2.9
395.14862	0.6
396.51028	0.4
397.12994	1.8
398.13580	6.9
413.15955	100.0
414.16284	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	413.1587
Annotation	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
Peak:m/z	Relative Intensity
65.50365	0.5
67.05496	0.7
68.78973	0.5
69.03419	0.5
70.14661	2.3
79.05467	1.6
81.03392	0.6
81.07040	0.8
83.43230	0.5
91.05445	1.0
93.07033	1.0
95.62185	0.6
97.06497	1.1
98.20766	0.5
105.06997	1.1
106.07856	0.5
107.04936	1.0
119.08556	0.5
121.02933	0.7
129.06956	0.6
131.08559	0.7
133.10092	0.9
137.02324	0.9
145.06473	0.6
147.04361	1.0
149.02376	0.7
149.05928	0.6
151.07538	1.3
153.01866	0.7
163.03853	1.5
164.04680	0.7
167.03374	2.2
167.07051	1.0
173.05934	0.9
175.03864	0.8
177.01778	1.0
177.05458	0.6
178.06259	2.5
179.07013	1.5
181.04895	0.5
181.08553	1.3
183.02893	0.5
191.03329	1.3
191.07077	0.8
194.09314	1.0
197.06113	1.0
199.07556	1.2
202.06487	0.5
202.21750	0.4
203.03375	0.9
205.05063	0.6
211.07588	0.7
215.03351	0.7
219.06599	0.6
220.33531	0.6
225.05424	0.6
233.04243	0.5
237.05389	0.5
243.06573	0.7
245.04433	0.9
251.06714	0.6
253.04941	1.8
257.04517	0.9
258.59644	0.5
267.06213	1.1
269.04419	0.7
271.05997	2.1
280.34039	0.5
281.04449	1.2
281.07764	0.5
283.05960	1.6
284.03015	0.6
285.04236	0.6
285.07529	0.8
293.04572	0.7
294.05276	0.6
295.06076	2.3
296.06982	0.6
297.03986	1.9
297.07629	0.9
298.04526	0.9
299.05460	3.8
307.05951	0.6
311.05450	4.9
312.06158	1.4
313.06970	2.1
315.04730	0.7
317.07025	0.8
323.05396	2.1
323.08871	0.7
325.03531	0.7
325.07013	1.2
326.04266	0.7
326.07764	1.7
327.04974	36.4
327.08530	4.0
328.05261	1.6
329.10266	1.3
337.06848	0.8
337.10541	0.5
339.04895	2.7
339.08597	0.7
340.05746	1.0
341.06476	5.0
342.07312	4.8
343.08063	1.8
351.08392	0.6
355.03641	0.7
355.08011	11.7
355.12051	0.8
356.08621	0.9
357.09653	16.7
358.09955	1.2
365.10251	0.8
369.09628	2.7
371.11221	0.9
383.11230	15.4
384.11655	1.0
395.14810	1.0
397.12671	1.6
398.13446	1.9
413.15912	100.0
414.16183	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	413.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01853	2.4
55.05492	2.2
57.03412	1.4
63.40142	0.6
67.05498	6.3
69.03410	2.7
69.07064	5.4
71.04981	1.5
71.59511	0.8
73.02904	0.9
79.05483	12.0
80.06261	2.5
81.03397	2.4
81.07051	8.3
83.04965	1.8
83.08616	1.0
83.95802	0.7
85.02898	0.8
86.95017	0.6
91.04940	0.9
91.05472	10.9
93.07041	9.0
94.07835	3.4
95.04943	3.0
95.08594	4.5
97.02876	1.3
97.06525	17.1
99.04453	0.8
103.05471	0.8
105.07012	6.1
107.04943	1.9
107.08607	4.1
109.06453	1.0
109.10128	2.1
113.06013	0.7
117.06984	1.8
119.04921	2.4
119.08543	4.5
121.10097	2.1
122.03533	0.7
123.04404	1.5
125.06037	0.8
126.69688	0.6
127.03854	0.9
129.07001	3.2
131.04868	1.2
131.08559	3.3
133.06483	0.9
133.10110	6.9
134.10846	0.7
135.04378	1.5
135.07999	1.0
135.11624	1.3
137.09575	1.0
139.03918	0.8
141.06935	1.1
143.08591	0.9
145.06430	1.5
145.10085	1.2
147.04388	1.5
147.08000	1.0
147.11681	2.7
149.05867	0.7
149.13205	0.9
153.01810	7.2
153.07004	1.1
155.08493	0.9
157.06429	0.6
157.10126	2.5
159.04373	1.8
159.11629	1.0
160.05083	0.8
161.06036	1.1
161.36154	0.6
163.03886	3.6
167.07048	1.2
168.12532	0.6
169.06476	1.1
171.08012	1.1
173.05942	4.5
175.03816	0.7
175.07512	0.7
175.11133	2.6
177.05478	1.0
178.02611	0.8
178.06236	10.9
179.08521	0.7
181.06450	0.8
181.10118	0.8
183.07983	1.1
185.05937	4.0
187.07504	1.9
191.03351	2.4
193.12169	1.5
195.08139	1.2
195.13754	1.2
197.05991	1.3
199.07527	11.1
201.05534	0.6
201.09096	0.8
203.03427	2.5
205.04953	1.2
210.06731	0.8
211.07532	1.9
212.08212	0.9
213.05486	1.1
213.09131	1.8
215.07071	1.0
215.59229	0.7
216.04214	4.1
217.04860	2.1
223.07709	1.1
225.09032	1.8
227.03389	2.0
228.03981	0.8
229.04979	1.8
231.02837	3.7
231.06416	3.1
238.13052	0.7
239.06952	1.0
241.04976	2.9
243.06505	1.9
244.03781	3.8
245.04411	7.0
253.04852	1.0
253.08511	0.8
255.02869	15.6
256.03351	1.1
257.04349	3.5
257.08109	1.0
259.06003	6.7
269.04456	4.7
269.07956	1.5
270.05048	0.9
271.05923	9.1
272.03189	1.6
279.13861	1.3
281.08240	0.6
283.02368	3.2
283.05972	2.2
284.03107	2.0
284.14059	1.5
285.04504	1.1
285.07590	5.1
287.05481	15.7
297.03894	3.3
297.07571	2.8
298.04538	1.3
299.05484	2.9
299.09009	1.9
300.02679	5.4
301.03311	2.8
302.04092	2.8
302.07468	0.9
311.05472	1.3
311.08954	1.3
312.06262	2.1
313.07040	6.9
313.10593	1.0
315.04947	69.4
316.05469	4.0
317.06561	3.2
323.16263	0.9
327.05109	0.8
329.06464	2.5
330.07297	22.4
331.07611	1.2
335.08948	0.7
344.08835	4.0
345.09637	100.0
346.09973	5.6
349.14285	0.9
353.14215	0.9
367.15424	2.2
369.09512	2.8
377.13654	1.8
395.14960	6.9
413.11993	13.0
413.15909	38.8
413.21945	1.5
414.12262	1.9
414.16577	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	413.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.8
53.03909	2.0
55.01830	3.9
55.05476	1.5
57.03388	2.5
67.05493	7.9
69.03387	2.2
69.04488	0.9
69.07063	10.5
70.13572	3.3
70.13999	1.9
75.60519	1.0
79.05481	19.5
80.06214	2.5
81.03421	4.5
81.07063	6.3
83.04913	1.9
91.05456	7.8
93.07022	5.6
94.07770	1.8
95.04897	3.7
95.08549	2.1
97.06517	100.0
98.06773	3.4
105.06990	6.1
107.08522	2.4
109.10114	1.6
115.05399	1.6
116.64162	1.0
117.06936	2.2
119.04873	1.0
119.08481	2.9
121.10052	2.5
123.04350	1.9
129.06885	3.5
131.04848	2.0
131.08467	2.7
133.10078	4.2
135.04272	1.8
135.11569	1.0
141.06877	2.2
142.07748	1.2
143.08455	1.2
147.04326	2.3
150.03021	2.2
152.06110	1.4
153.01801	7.3
153.06818	1.5
155.08420	1.6
157.06366	1.1
157.10030	1.7
159.04326	1.4
159.07997	1.5
160.05099	1.5
163.03882	1.1
165.06857	1.8
166.07700	2.2
167.08490	2.2
169.06345	2.5
173.05927	6.7
173.45847	1.0
174.06567	1.1
175.03812	2.7
175.11021	2.6
177.05403	1.2
177.06836	1.0
177.12683	1.2
178.07599	1.2
179.08377	3.3
181.06311	3.2
181.09949	2.2
182.07202	0.9
183.07887	1.7
185.05952	5.2
186.06512	1.2
187.07497	4.2
188.08331	5.4
189.08781	1.1
191.03310	2.4
193.04814	1.2
193.09958	1.2
193.12073	1.1
194.07159	1.1
195.08052	4.7
195.11568	1.0
196.08591	1.3
197.05765	2.7
197.09480	2.1
198.06604	1.6
199.03720	1.4
199.07529	9.9
199.10970	0.9
201.05347	1.5
201.08989	2.0
203.03313	5.0
207.07849	2.8
209.09634	5.2
210.06630	1.3
211.07507	5.8
212.07997	1.4
213.08963	2.5
215.03120	1.1
215.06934	1.2
215.10577	1.4
216.04161	4.9
217.04666	1.3
219.09988	1.0
221.09473	1.7
223.07343	3.0
223.10907	2.1
225.05400	1.3
225.09050	7.6
226.09627	1.2
227.06898	1.4
227.10379	3.2
231.02879	5.0
235.07439	2.3
237.08882	2.5
239.07014	1.9
239.10654	1.0
241.04807	1.6
243.10112	1.4
244.03450	3.4
245.04381	5.4
249.08641	1.5
251.06978	1.5
253.08600	6.2
255.02684	2.8
255.06233	1.2
255.10083	1.3
257.04221	3.2
259.05969	5.6
265.12000	2.1
266.12756	3.9
267.06259	2.0
267.09918	1.7
269.07861	3.2
271.05707	8.8
271.09305	3.8
272.02991	2.2
273.03568	1.1
273.10965	1.7
279.13565	3.3
281.07678	4.0
281.11404	2.5
283.05780	1.3
283.09476	1.3
284.02927	3.4
284.14108	9.5
285.04010	1.5
285.07260	4.9
287.05527	4.5
295.09332	1.4
297.07309	2.8
297.14426	1.2
299.05234	1.4
299.08740	3.5
301.03098	1.4
302.04187	5.8
307.12991	1.9
309.07242	2.0
311.08911	1.7
311.12411	1.5
313.07065	6.8
315.04602	2.8
317.06357	2.2
317.09705	1.5
321.14487	3.0
323.12442	3.3
323.16095	4.2
325.13956	2.7
327.04730	1.9
331.13156	1.5
335.12436	1.2
339.15598	2.7
341.09845	1.4
345.09256	1.1
349.14026	3.2
351.11835	6.5
351.15805	2.1
353.09720	1.6
353.13794	5.7
367.15356	9.6
369.09219	3.6
369.12973	1.6
369.16730	3.4
371.10736	1.4
377.13809	6.5
395.14822	15.3
398.09531	1.9
413.11752	68.3
413.15604	7.8
414.12244	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	413.1227
Annotation	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.31746	0.4
55.01857	2.2
55.52889	0.4
66.31653	0.4
67.05495	0.7
68.99773	0.8
69.07055	2.0
69.28609	0.5
69.29005	5.0
78.88721	0.4
79.05480	1.7
83.05032	0.5
87.17760	0.5
89.30268	0.4
89.60751	0.4
97.06514	3.0
98.21515	1.1
108.93948	0.5
135.04347	0.9
146.88470	0.5
149.02322	5.2
150.03096	3.6
153.01816	26.0
163.03844	1.0
173.05956	0.6
175.03899	0.5
183.07988	0.5
185.05989	0.7
191.03192	0.6
201.05511	0.6
203.03403	2.2
205.04942	4.6
213.05450	0.7
216.04137	4.7
217.04924	2.0
225.08948	0.5
227.03427	2.5
227.06906	0.5
228.04175	2.6
229.04839	2.2
231.02888	7.2
231.06566	1.6
233.38789	0.5
240.04140	1.4
241.04895	0.8
243.06488	0.8
244.03604	3.6
245.04424	1.8
255.02863	6.2
256.03568	2.1
257.04510	0.8
259.06018	11.7
268.03589	0.6
269.04489	0.8
269.08029	0.5
271.06000	1.9
273.03934	8.7
283.02374	0.6
284.03125	3.9
285.03946	3.6
285.07135	0.8
287.05487	14.2
287.08719	0.7
299.05435	2.2
300.02536	0.6
301.03415	32.4
302.04114	6.0
313.03424	0.8
313.06958	0.6
315.05026	4.5
316.05731	5.2
317.06494	5.5
323.05280	0.6
327.04828	0.7
335.09244	0.7
337.07034	0.5
351.08420	0.8
353.06708	1.3
380.09164	1.1
395.11136	7.9
396.11905	0.5
413.12268	100.0
414.12573	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	413.141
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.23146	0.4
54.28276	0.4
56.05019	0.9
57.03435	0.5
61.43233	0.4
64.99496	0.4
69.03416	0.6
69.60139	3.5
73.56429	0.4
74.06070	2.0
85.02883	0.7
88.84436	0.4
98.21501	0.9
102.05519	1.4
119.03535	3.0
120.06561	8.2
136.06168	100.0
137.04567	2.1
137.06523	1.0
147.26671	0.4
162.04091	62.5
163.04309	0.4
177.05455	0.9
234.06534	0.5
254.03978	0.5
263.06940	0.7
268.10324	0.8
277.08444	0.5
278.05920	0.8
281.09903	56.2
282.10175	1.3
294.08322	0.6
323.09152	0.8
349.07047	1.1
367.08005	1.7
413.13605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
53.28214	0.8
55.01830	2.7
55.05478	1.7
57.03407	2.0
62.93172	0.9
67.05456	3.4
69.07066	5.4
69.54523	4.0
69.54950	3.4
69.76162	0.8
71.04919	1.2
79.05479	15.7
80.06276	4.2
81.07042	5.3
83.04930	2.5
91.05474	5.2
93.06977	3.6
94.07787	2.1
95.04903	3.1
95.08545	1.2
97.06518	42.8
105.03355	0.8
105.06956	3.9
107.04909	1.2
107.08556	2.0
109.06445	1.3
115.05373	1.3
119.04877	0.9
119.08549	1.7
121.10047	0.9
128.06078	1.2
129.06940	2.3
131.04811	1.7
131.08501	1.9
133.09999	4.0
135.04329	1.6
135.11655	0.9
141.06892	1.3
145.06367	1.7
147.04291	2.8
147.11551	1.3
149.02275	2.4
150.02983	2.0
152.06165	0.9
153.01801	11.4
153.06868	2.5
157.10034	2.1
159.04289	1.5
159.08005	1.3
160.05032	1.8
161.05882	1.6
163.03841	1.0
164.04530	1.4
165.06926	2.5
167.08495	1.4
169.06392	2.5
170.01991	3.2
170.03424	0.8
170.07083	1.1
171.04318	1.3
171.08063	1.1
173.05846	3.3
175.11041	1.8
176.11868	0.9
178.02579	1.8
179.08397	1.8
181.06401	1.9
181.09972	1.4
183.08014	1.8
184.05098	1.1
185.05908	4.4
187.03839	1.0
187.07426	2.1
188.04530	2.9
188.08304	2.2
191.03258	1.8
194.07135	1.0
195.07919	3.0
197.05779	2.8
197.09505	2.4
199.03801	0.9
199.07495	9.9
200.04517	1.8
201.05254	1.0
201.08926	1.6
203.03386	5.3
207.07961	2.3
209.05702	1.1
209.09393	3.9
210.06587	0.9
211.03766	2.1
211.07352	3.6
213.05237	2.6
213.08932	2.0
215.06786	1.3
216.02185	1.2
216.04140	15.5
217.04659	2.0
221.09456	0.9
223.07324	1.6
223.10956	1.2
224.08203	1.2
225.05478	1.5
225.08989	5.2
227.03400	6.3
227.06821	1.9
227.10522	2.6
228.03970	2.8
229.04823	1.5
231.02690	4.0
231.06393	5.0
235.07420	1.3
237.08986	1.9
239.06769	1.2
239.10524	1.5
241.04730	3.0
241.08411	1.2
242.05516	1.0
243.02872	1.1
243.06306	2.6
244.03651	11.3
245.04408	5.0
251.06734	1.3
253.04912	0.9
253.08453	2.7
255.02852	22.5
255.05936	1.2
255.06624	1.4
255.10052	1.6
256.03171	1.8
257.04318	3.1
259.05966	8.4
265.12006	1.3
266.12985	4.9
267.09753	1.0
269.04214	2.5
269.07837	2.3
270.04800	1.2
271.02136	1.1
271.05713	5.4
271.08942	1.6
272.03119	4.2
272.05530	1.0
277.12009	1.2
279.13602	2.7
281.04135	0.9
281.07886	1.5
281.11465	1.8
283.02158	1.9
283.05719	0.9
283.09305	1.3
284.02875	2.6
284.13947	7.2
285.03714	1.0
285.07407	2.4
287.05475	17.1
297.07266	2.0
298.04578	1.8
299.08917	1.3
300.02600	7.1
301.02878	1.3
302.03922	4.0
303.13464	1.6
313.07068	6.3
314.84421	1.1
315.04941	100.0
316.05539	13.0
317.06213	4.0
321.14481	1.6
323.16074	1.9
325.10251	1.1
325.14038	1.3
327.04749	1.2
335.12323	1.2
349.14044	2.6
351.12094	1.4
351.15952	1.1
353.10013	1.9
353.13635	2.0
367.15277	4.8
369.09668	7.6
369.16638	1.8
377.13602	4.4
395.10687	2.8
395.15283	7.2
413.11768	45.2
413.15576	4.9
414.12094	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	413.1226
Annotation	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
54.26114	0.4
55.01847	1.3
55.05500	0.7
57.34360	0.4
63.33723	0.4
67.05486	1.3
69.03438	0.5
69.07066	3.0
71.05331	0.6
71.05669	1.0
77.59818	0.4
79.05481	5.1
81.07042	0.9
83.04963	0.7
93.07005	0.5
95.04929	0.8
97.06518	22.6
110.05290	0.5
135.04378	0.6
147.04451	0.9
148.05144	0.6
149.02307	1.9
150.03104	5.0
153.01808	16.2
160.05199	0.6
163.03841	0.4
165.06984	0.6
168.05515	0.4
169.06389	0.5
170.02089	1.2
174.03046	0.9
174.06779	0.6
179.08559	0.4
180.74687	0.4
183.08083	0.9
185.09608	0.4
187.03839	0.6
187.07486	0.8
188.04671	1.1
197.05920	0.7
199.07474	0.5
200.04790	0.6
201.05379	0.8
201.09044	1.8
202.02594	0.5
203.03366	1.4
204.04222	0.4
205.04919	2.3
207.08138	0.5
209.09555	1.2
209.64024	0.5
211.07512	1.2
213.09067	0.8
216.04143	7.1
217.04951	1.1
219.63680	0.4
223.07381	0.5
225.05295	0.5
225.09119	1.4
227.03464	2.2
227.07011	0.6
228.04079	1.8
229.04915	2.2
231.02835	3.7
231.06326	0.8
237.09102	0.5
241.04782	0.6
243.06508	1.5
244.01250	0.7
244.03627	5.5
245.04282	1.6
251.10710	0.5
255.02917	3.8
256.03583	0.7
257.04465	0.9
259.05981	5.9
266.13040	0.7
269.04312	0.8
269.08075	0.8
270.05203	0.5
271.05869	1.4
271.09418	0.5
272.03104	2.8
273.03931	3.5
281.08093	0.7
282.05228	0.8
283.02399	0.7
283.05933	0.8
284.03140	4.1
284.14044	1.3
285.03845	3.5
285.07132	0.7
287.05444	8.5
297.07468	0.8
299.05707	2.2
299.08646	0.6
300.02618	1.6
300.06009	0.7
301.03400	10.4
302.04160	10.1
311.05435	0.8
313.03406	1.0
313.07031	9.2
315.04977	5.9
316.05692	2.6
317.06509	7.1
321.14514	0.4
327.05164	2.4
339.04993	0.9
341.10092	1.9
357.34146	0.5
367.15527	0.8
369.09525	3.1
395.14926	0.8
398.09781	2.0
413.12198	100.0
414.12497	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1225
Annotation	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.17014	0.5
55.01855	1.3
55.05490	0.5
67.05501	0.8
68.99774	0.5
69.07046	2.0
70.25822	2.1
76.47433	0.5
77.91555	0.4
79.05487	3.0
81.03427	0.5
81.07030	0.7
83.04955	1.2
88.08056	0.5
88.22794	0.5
93.75593	0.4
95.04971	0.6
97.06513	6.9
108.30295	0.4
121.02786	0.4
131.04904	0.5
139.03856	0.8
149.02319	3.6
150.03136	2.8
153.01799	16.0
155.08575	0.5
163.03888	1.0
169.06535	0.6
170.02116	0.6
174.03053	0.5
182.07097	0.5
183.08012	1.1
185.05966	1.1
185.07567	0.5
187.07455	0.5
188.04636	0.8
195.07922	0.7
197.05923	0.6
198.35251	0.5
199.07442	0.7
201.09021	2.2
202.02582	0.5
203.03371	2.2
205.04929	2.3
211.07510	1.0
213.05388	0.9
216.04141	7.0
217.04889	1.3
219.57825	0.4
223.07422	0.5
225.09093	1.1
227.03346	2.7
227.07072	0.6
227.10704	0.7
228.04231	2.2
229.04822	1.3
229.08820	0.5
231.02846	5.1
231.06491	1.0
240.04233	0.8
243.06479	0.7
244.03653	4.8
245.04489	1.1
254.05769	0.7
255.02811	6.5
256.03699	1.1
257.04401	0.8
259.05984	11.5
266.13025	0.9
269.04520	0.7
269.07736	0.5
271.05942	1.2
272.03091	1.6
273.03876	5.4
279.13892	1.1
280.23459	0.5
283.02255	0.7
284.03107	4.0
285.04034	2.4
285.06738	0.7
287.05481	15.1
287.08701	0.8
288.05728	0.7
299.05417	1.7
300.02576	0.9
301.03406	17.8
302.04056	4.2
313.07043	4.7
315.04877	6.3
316.05676	3.5
317.06439	3.3
323.05334	0.6
323.16144	0.8
327.04871	1.5
331.13092	0.8
335.09079	0.7
339.04871	0.8
341.10126	1.3
349.14145	0.9
351.08771	0.7
353.06357	1.0
369.09576	1.9
377.13864	0.8
395.11035	6.6
395.15506	0.7
398.09891	1.6
413.12201	100.0
414.12527	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	413.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	3.4
62.06085	11.9
62.80310	2.1
66.68816	2.6
67.05481	4.5
69.03405	7.5
69.07025	3.1
69.92088	8.6
69.92498	5.2
70.06567	8.3
76.02189	2.7
78.04679	2.0
79.05505	2.9
81.03402	4.7
81.07043	4.2
84.04450	4.2
84.08129	11.6
85.02885	9.3
85.07639	2.4
86.09686	3.6
91.05469	6.4
95.04935	8.0
97.02877	7.2
97.06500	2.8
98.21410	3.4
105.07031	5.5
109.06463	2.6
117.03357	5.9
119.04926	2.7
121.06475	2.6
122.06026	3.1
127.03885	4.3
130.34138	2.2
131.04941	4.5
133.02789	2.5
135.04361	3.9
135.27895	2.2
136.01552	2.3
136.06165	2.6
137.02383	3.8
137.05946	18.0
139.03857	2.4
145.02788	11.2
145.10028	3.7
147.04361	7.6
149.05933	9.2
151.03893	22.1
161.06024	2.5
162.03194	3.1
163.03864	4.6
163.07448	2.5
165.06854	2.8
171.04385	2.4
175.07510	4.2
177.05461	35.4
178.03221	6.7
179.03381	9.1
179.04784	2.9
182.10439	2.2
187.07590	2.9
189.05431	4.0
189.06973	13.6
189.08557	3.0
191.03426	3.3
202.03152	5.5
205.06552	5.2
206.07187	5.9
207.07965	3.0
211.07553	3.2
215.03435	3.4
217.06624	4.9
218.07251	3.8
219.08199	3.9
221.05956	8.0
222.06747	4.2
226.06149	2.9
233.05975	5.3
233.15298	5.0
234.06729	24.1
235.02464	2.4
235.07503	31.5
236.04634	6.2
237.05354	8.1
239.06973	7.4
241.04897	3.2
243.02788	3.5
245.06032	4.8
246.06548	2.8
247.07442	5.9
249.05380	4.3
249.09109	9.4
250.06166	21.1
251.06923	13.5
251.09282	9.0
252.07758	3.7
253.04701	2.9
257.08102	3.0
261.05673	4.7
262.06207	18.2
263.07001	70.4
264.04099	2.5
264.07526	8.0
265.04913	7.6
265.08487	4.5
266.05652	5.5
269.08002	5.8
276.07721	3.1
277.05289	4.4
277.08569	24.9
278.05704	40.1
278.08755	2.9
279.06488	41.2
280.07309	15.5
281.04300	4.0
282.05341	4.0
284.06824	2.8
286.10648	3.4
289.04889	9.8
290.05603	5.3
291.06488	9.6
292.03238	2.8
292.07153	4.8
293.04889	3.8
293.07999	15.3
294.05185	8.4
295.06259	4.0
295.09576	15.9
296.06815	5.6
297.07562	41.0
303.06317	3.9
305.04642	3.6
305.08011	9.6
306.05237	27.8
306.08603	4.5
307.06006	23.7
308.06711	13.4
309.07562	14.9
311.08984	5.4
317.04385	4.4
318.05255	9.7
321.03748	2.7
321.07529	55.6
322.08157	8.4
323.09103	48.3
324.06186	14.8
324.09430	2.8
325.07059	24.9
331.05887	3.6
332.06775	2.5
333.07480	11.4
334.04666	22.7
335.05322	4.1
336.05850	2.6
337.06873	2.6
339.08618	18.8
349.02939	4.7
349.07050	90.5
349.11319	4.6
350.07428	4.9
351.08414	7.4
352.05783	22.1
353.06406	9.6
367.08109	100.0
368.08322	5.2
377.06409	13.4
395.07642	31.9
413.08353	4.8
413.14252	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	413.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49737	2.0
62.06066	3.2
64.30106	2.0
67.05519	2.2
69.03415	4.4
70.01441	12.5
70.06579	7.1
72.08149	2.9
77.20863	2.2
81.03404	3.1
81.07038	3.1
84.08133	2.7
85.02905	7.3
86.09692	1.9
90.74595	2.1
95.08618	2.2
95.73201	2.0
97.02895	6.2
103.05444	2.4
109.02864	3.3
117.03342	3.0
121.02886	2.5
123.04400	9.5
127.03930	4.1
135.04422	3.6
136.06139	3.9
137.02292	2.6
137.05963	6.3
145.02843	7.7
147.04396	6.6
149.06018	3.9
150.05499	2.9
151.03940	18.3
151.05081	3.0
158.54378	2.0
161.05968	3.1
163.03937	4.4
166.04993	5.1
175.04019	3.2
177.05453	17.9
179.03363	10.6
189.06906	15.6
205.06575	6.7
206.07150	3.7
207.06429	2.5
210.06808	4.1
217.06432	7.5
218.07315	3.0
219.02711	4.0
221.06004	7.7
222.06624	3.1
228.07077	2.9
232.05093	2.8
233.05975	4.6
233.15297	3.1
234.06696	18.0
235.07494	21.8
236.04671	5.2
237.05417	3.8
238.06308	2.9
243.02892	3.5
245.06055	4.6
247.07542	3.9
249.05438	4.9
249.09119	6.0
250.06242	21.8
251.06923	10.5
251.09541	7.2
252.07782	5.6
253.04866	2.7
253.08618	3.0
254.05766	2.7
256.09860	2.4
260.04758	4.1
261.03809	4.1
262.06241	14.0
263.06976	69.8
264.04126	4.0
264.07614	8.1
265.04929	6.5
265.08517	3.0
266.05698	6.4
266.74326	2.2
267.06375	2.7
269.08029	3.2
273.05252	2.9
275.07010	3.5
277.05322	4.7
277.08597	18.4
278.05728	36.7
278.08627	1.6
279.06436	32.3
280.07193	13.7
281.04578	2.6
281.07889	3.8
282.05142	3.3
284.06699	3.4
288.04242	3.7
289.04913	11.2
290.05521	4.2
291.06354	11.4
292.07166	5.8
293.04755	3.5
293.07892	12.9
294.05215	6.7
295.06119	4.3
295.09628	19.2
296.06708	4.3
297.07559	34.7
298.07889	2.8
303.06418	5.0
305.04889	2.2
305.08008	11.6
306.05191	24.2
306.08508	4.1
307.05997	25.0
308.06799	11.8
309.07465	14.3
311.09204	4.4
317.04398	4.3
318.05231	9.1
321.03983	1.8
321.07532	45.7
322.08252	6.7
323.09122	50.0
324.06201	14.6
324.09479	2.5
325.07010	22.9
331.06180	4.5
333.07681	6.6
334.04623	22.7
335.05331	4.9
339.08582	18.3
349.07016	83.5
350.07462	6.9
351.08667	6.2
352.05725	19.3
353.06332	6.2
367.08090	100.0
368.08435	7.0
377.06586	16.3
377.13919	2.3
393.61453	2.6
395.07556	33.6
413.09274	5.1
413.14880	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33136	1.6
55.01882	2.1
55.05499	2.6
57.03434	24.0
59.04990	6.0
60.04523	2.7
61.02909	3.7
69.03423	85.8
70.06593	2.1
70.76799	4.7
71.04990	4.1
72.85565	1.5
73.02909	3.2
75.04466	4.3
80.81686	1.8
81.03413	5.0
81.07034	2.3
82.06586	2.5
83.04968	2.4
83.08605	3.7
84.76102	1.7
84.77443	1.5
85.02897	88.3
86.09682	2.3
86.79386	1.8
87.04459	53.1
87.64064	1.7
91.04022	1.8
95.04951	2.1
95.08586	2.2
97.02883	66.7
97.06521	2.0
99.04445	3.6
105.07069	2.0
109.02899	3.5
111.04441	1.9
111.08079	1.8
115.03921	98.6
122.23155	1.7
127.03910	15.7
133.04950	100.0
135.08076	1.8
141.09109	2.2
145.04938	29.5
150.07585	13.7
151.07544	1.8
163.06023	10.6
167.10699	6.1
169.04892	2.3
177.05505	4.2
197.11700	3.0
241.07065	4.3
263.14871	4.0
268.06967	1.6
277.09219	2.8
295.10022	2.4
323.09149	2.6
366.06979	3.2
412.20474	2.0
413.21622	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
54.13322	4.4
57.03417	6.6
69.03406	11.1
70.06586	16.5
71.59910	4.5
71.60343	6.7
72.08144	7.3
84.08158	8.8
85.02876	13.5
88.56019	5.7
91.05460	8.3
97.02847	12.5
103.69700	4.6
128.07117	6.2
129.10269	5.4
136.06134	29.7
137.02357	5.0
137.05954	10.5
145.02821	7.2
147.04411	10.5
151.03914	7.3
162.04089	18.1
163.03844	4.8
177.05412	14.5
177.44225	4.5
179.03377	9.6
189.07045	8.9
219.02814	7.9
233.05983	5.7
234.06752	23.3
235.07437	23.7
249.09082	7.0
250.06172	22.8
251.06973	6.3
251.16269	14.2
252.07901	6.0
262.06290	14.8
263.06985	52.0
277.08575	21.6
278.05685	44.2
279.06479	21.2
280.07196	12.7
281.10031	9.2
284.06906	5.4
288.04321	5.7
289.04868	7.7
291.06558	11.3
292.07297	6.0
293.08041	16.0
295.06067	8.5
295.09598	14.0
297.07547	16.8
303.06393	5.7
305.07990	7.7
306.05154	31.3
307.05972	16.9
308.06601	12.1
309.07523	14.4
318.05258	14.4
321.07581	49.5
323.09119	56.3
324.06085	12.3
325.06998	12.7
326.20779	4.8
333.07565	14.5
334.04730	23.9
334.56534	5.3
335.05057	6.7
339.08731	8.2
349.06995	100.0
350.07547	5.8
351.08582	7.8
352.05792	19.9
367.08072	86.3
377.06506	18.6
395.07373	30.4
400.45325	5.3
413.13837	30.3
413.21869	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	411.1432
Annotation	Sumatrol
Peak:m/z	Relative Intensity
50.42222	1.2
53.03922	2.1
55.01856	2.0
55.05492	1.4
65.03942	1.7
67.05470	3.6
68.99761	1.3
69.03432	1.9
69.07050	1.5
69.60944	9.2
70.06573	3.7
77.03943	1.3
79.05479	9.0
81.03402	1.9
81.07035	3.8
83.04970	1.3
84.08132	4.4
85.02888	1.9
88.15202	1.3
91.05458	6.6
93.07008	3.7
94.04180	1.9
95.04947	5.1
95.08610	3.1
97.02876	1.4
97.06503	4.8
103.05453	3.7
105.03391	4.1
105.07011	3.6
105.76969	1.3
107.04945	12.6
107.08547	1.8
108.05701	2.4
109.02904	1.8
109.06480	3.0
110.20145	1.2
115.05431	5.5
117.07006	2.6
119.04927	2.2
119.08562	1.4
121.00647	1.1
121.06482	3.8
123.04426	1.8
124.05170	4.4
125.05993	2.9
128.06194	2.8
129.06960	5.4
131.04890	1.8
131.08531	3.5
133.06473	2.9
133.10159	1.4
135.04378	4.7
135.08032	1.8
136.05151	2.4
137.05952	4.9
139.07524	11.4
141.06966	5.7
144.05670	2.4
145.06470	5.4
145.10110	1.4
147.04410	8.4
148.05142	2.8
149.02388	1.6
149.06013	1.7
150.06766	1.5
151.07516	18.2
153.01833	2.9
153.05765	1.1
153.06941	6.4
154.07686	2.9
155.04868	1.8
155.07152	2.2
155.08527	9.2
158.07301	1.4
159.04396	34.0
159.08005	1.7
160.04762	1.1
161.05965	6.3
162.06726	3.0
163.03885	2.9
165.06978	5.2
165.09088	2.6
167.03366	2.2
167.07019	10.7
168.05696	4.9
169.06465	14.3
169.79732	1.2
170.07253	8.0
171.04308	2.9
171.07999	1.7
173.05933	7.0
175.07414	1.8
176.04663	2.6
177.05499	7.2
178.06236	2.1
179.07008	38.0
181.04932	11.2
181.06418	2.5
182.07265	1.5
183.08044	11.6
185.05948	1.6
185.09505	1.6
186.06801	1.3
187.07527	7.9
189.05466	2.4
191.07014	17.7
192.07758	12.8
193.08522	5.4
194.07199	1.6
195.06433	1.3
195.08101	5.5
197.06059	1.9
198.06691	8.4
199.07457	2.4
201.05438	15.9
201.09077	8.5
203.10666	1.8
205.08583	3.2
207.06415	1.4
211.07521	49.5
212.08148	2.5
213.09035	5.5
215.06969	6.0
219.06433	10.8
220.07321	3.2
227.07016	4.5
229.08557	100.0
230.08948	2.8
233.09413	1.3
239.06966	3.7
257.08032	6.8
267.06528	1.6
294.05194	1.5
313.06696	1.7
319.13089	1.3
337.10550	2.2
339.08548	1.6
341.10059	3.0
365.13696	3.7
367.08087	6.2
369.09662	2.4
380.12653	1.6
383.15149	2.2
393.05414	2.1
393.13629	8.0
411.14313	40.6
411.19775	11.4
411.24957	1.5
412.14624	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	411.1433
Annotation	Sumatrol
Peak:m/z	Relative Intensity
53.03907	1.9
55.01834	1.1
55.05481	0.6
58.17289	0.5
65.03919	1.1
67.05462	0.9
69.03391	1.0
70.06537	0.9
70.21576	1.2
70.21978	2.2
71.04952	0.6
77.03881	1.4
78.04689	0.7
79.05483	9.7
81.03381	1.1
81.07007	1.9
83.04948	0.8
85.02890	0.6
85.90016	0.6
91.00723	0.5
91.05463	6.6
92.02566	0.6
93.06997	1.5
94.04121	1.6
95.01264	0.6
95.04958	3.4
96.05737	0.9
97.06520	0.8
103.05446	3.7
104.79532	0.5
105.03352	3.8
105.07013	3.3
107.04942	14.9
108.05707	3.0
109.02850	1.5
109.06503	2.8
110.03638	0.7
115.05443	6.4
116.06168	0.7
117.06992	4.2
118.04099	0.8
119.04891	1.7
119.08549	0.9
121.06466	4.0
122.03584	1.9
123.04420	1.5
124.05201	5.1
125.05935	2.4
127.05390	0.7
128.06207	4.5
129.06992	3.9
131.04861	2.4
131.08559	3.4
133.02779	1.4
133.06473	3.9
135.04388	6.0
136.05267	2.7
136.06097	0.6
137.04962	0.9
137.05951	11.3
139.06467	0.9
139.07520	14.7
141.06967	4.8
142.07712	1.1
143.08530	1.3
144.05646	2.4
145.06473	5.7
145.10081	0.9
147.04391	4.2
147.07970	0.7
148.05167	4.2
149.02313	2.5
149.05927	2.0
150.06693	1.4
151.06393	1.0
151.07521	15.8
152.06149	1.7
153.05482	1.1
153.06929	6.5
154.07692	2.4
155.04901	0.7
155.05908	0.8
155.06999	2.8
155.08496	9.1
157.06439	1.8
159.04387	34.9
159.07974	3.1
160.04939	0.7
161.05943	7.6
162.06720	3.4
163.03844	2.2
163.07417	1.2
164.04657	0.7
165.06964	4.8
165.09129	2.8
166.07745	0.6
167.03394	3.5
167.05583	0.8
167.07019	13.3
167.08382	0.8
168.05682	6.5
169.06467	15.2
170.07236	8.2
171.04350	2.2
171.07985	2.0
173.05952	6.8
173.09451	0.9
174.06714	0.7
175.03842	1.4
175.07513	1.6
176.04662	3.2
177.05420	9.5
177.95016	0.5
178.06194	2.2
179.07010	23.8
181.04904	9.2
181.06458	2.6
182.07141	1.1
183.04384	1.1
183.08018	10.5
184.05179	1.1
184.08658	0.6
185.05931	2.2
185.09563	1.4
187.03857	2.4
187.07518	12.3
188.07767	0.7
189.05399	0.9
189.09091	0.8
191.06996	22.7
192.07776	20.8
193.04913	0.7
193.06848	0.8
193.08559	5.3
194.07198	0.9
195.06456	1.1
195.08020	2.8
197.05956	1.7
198.05121	0.8
198.06750	9.1
199.07549	3.7
200.08296	0.8
201.05450	10.8
201.09068	6.6
202.06100	0.9
203.06996	2.4
205.04910	1.5
205.08528	3.5
210.06683	1.3
211.07516	48.0
212.08047	1.8
213.05437	0.8
213.09033	4.2
215.06993	3.5
219.06488	10.9
219.09859	0.6
220.07123	3.0
227.06975	4.1
229.08562	100.0
230.08960	3.2
231.10034	1.1
237.05399	0.6
239.06947	3.7
254.12952	0.6
257.08063	7.1
279.06601	0.8
283.05862	0.6
295.05884	0.9
305.11829	0.7
307.06021	0.5
307.09555	0.6
309.07562	0.8
313.10663	1.4
321.11169	0.7
323.09146	1.1
323.93973	0.6
333.11044	0.7
337.10580	0.6
341.10135	2.5
347.12762	2.9
349.10742	1.9
351.12054	0.8
365.13873	3.5
375.12167	0.9
380.12476	0.8
383.15009	2.5
393.13083	5.2
396.12036	0.9
411.14359	59.4
412.14709	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	411.1432
Annotation	Grandiuvarin A
Peak:m/z	Relative Intensity
50.03357	0.6
50.46285	0.5
53.03929	1.4
54.61465	0.6
55.01844	1.2
63.23466	0.5
65.03912	0.8
67.05473	1.6
69.33178	6.3
73.78977	0.5
77.03892	1.1
79.05493	6.6
81.03358	0.8
81.07027	1.2
91.05477	4.3
93.06996	1.5
94.04165	1.4
95.04932	3.4
97.06487	1.6
98.21439	0.9
103.05447	1.5
105.03331	2.5
105.07002	2.3
107.04948	10.9
108.05693	2.1
109.02879	0.7
109.06489	1.2
109.56513	0.6
115.05434	4.3
117.06960	2.6
118.04137	0.9
119.04909	1.4
121.06482	2.8
123.04412	1.1
124.05197	4.3
125.05951	1.6
128.06206	1.5
129.06996	3.3
131.04884	1.4
131.08578	3.0
132.05588	0.7
133.02795	1.1
133.06425	2.1
135.04398	5.1
136.05115	1.8
137.05951	0.7
139.07536	11.1
141.07004	3.3
142.07787	0.6
143.08481	1.3
144.05649	1.3
145.06470	3.6
145.10190	0.7
147.04395	3.4
148.05139	1.8
149.02304	1.5
149.05933	1.1
150.06709	0.7
151.07518	11.3
152.06108	1.5
153.05562	1.2
153.06953	5.0
154.07741	2.3
154.64304	0.6
155.06999	1.7
155.08510	7.4
156.46683	0.6
158.07184	1.1
159.04401	30.9
159.08009	2.2
161.05948	4.8
162.06729	2.4
163.03877	1.7
163.07547	0.7
165.05548	0.8
165.06902	4.5
165.09093	1.5
167.03355	1.9
167.07036	10.5
167.08446	0.5
168.05701	5.1
169.06474	13.4
170.07266	6.8
171.04424	1.8
171.07947	1.8
173.05975	4.9
175.03870	1.1
176.04623	1.1
177.05434	6.9
178.06186	1.9
179.07018	21.2
180.07344	0.7
181.04913	7.0
181.06438	2.0
182.07190	1.3
183.07996	10.3
184.08798	1.3
185.05933	1.4
185.09543	0.6
187.03833	1.9
187.07520	11.2
189.05473	0.8
191.06998	15.6
192.07780	14.5
193.06757	0.7
193.08571	4.0
194.07236	1.3
195.08011	2.5
197.05887	1.2
198.06738	7.7
199.07545	2.7
201.05443	6.8
201.09052	7.3
202.06137	0.6
205.04932	0.9
205.08603	3.3
210.06743	1.4
211.07515	44.1
212.07910	1.8
213.09076	3.4
215.07004	1.9
219.06517	10.2
220.07298	2.7
227.07014	4.2
229.08563	100.0
230.08943	3.4
231.10042	0.9
239.06934	3.0
245.57098	0.6
257.08029	5.4
275.10568	0.7
313.10672	1.0
321.11270	0.8
323.09033	1.1
333.11200	0.8
341.10138	2.3
347.12802	2.5
349.10617	0.9
351.12271	0.8
365.06107	0.6
365.13962	3.1
369.09766	0.8
375.12225	0.9
375.95435	0.6
381.13126	0.7
383.14728	1.3
389.15143	0.7
393.13193	5.9
411.14346	47.1
412.14590	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	411.1433
Annotation	Preferrugone
Peak:m/z	Relative Intensity
53.03940	1.6
56.43426	0.7
59.15429	0.7
67.05476	1.1
79.05474	3.6
81.07033	1.4
82.54662	0.8
91.05470	4.4
93.07024	1.6
94.04192	1.2
95.04967	2.1
97.06498	3.2
101.02296	0.8
103.05457	2.5
105.03344	1.2
105.07054	1.7
107.04942	2.4
108.05711	1.8
109.06508	2.4
115.05452	1.8
117.07037	1.0
119.04945	1.8
121.06532	2.0
124.05206	5.1
125.05984	1.1
131.04930	2.9
133.06474	2.3
135.04395	4.9
136.05180	1.1
137.06042	1.2
139.07541	8.9
143.00710	0.8
143.08513	0.8
144.05768	1.4
145.06410	1.5
147.04393	7.6
148.05202	2.7
149.02335	2.8
149.05965	1.1
151.07513	8.3
153.01819	1.9
153.05518	1.0
155.07030	2.7
157.06493	1.4
159.04398	37.7
159.08076	1.9
160.04857	1.3
161.05989	4.2
162.06761	2.8
163.03845	1.3
163.07510	3.0
164.04712	1.0
165.09113	1.6
167.03535	1.5
167.07021	13.4
169.06497	3.0
170.07277	5.4
171.04395	1.9
171.08067	1.1
172.53215	0.7
173.05937	1.5
176.04691	0.8
177.05463	8.7
178.06190	2.4
179.07031	7.3
181.06532	1.6
184.05093	1.6
185.05966	1.0
187.04001	2.1
187.07510	37.6
189.05441	2.1
191.06982	13.5
191.08478	1.1
191.74316	0.7
192.07777	25.1
193.08630	4.3
198.06744	8.9
199.07509	7.6
201.05450	1.2
201.09108	1.0
203.07094	0.9
205.04918	2.0
205.08578	4.9
211.07492	1.2
213.09065	1.1
215.07030	3.6
219.06444	7.0
220.07271	2.7
227.07077	1.8
229.08562	100.0
229.56786	0.9
230.08928	4.7
239.07019	1.5
245.08142	1.4
257.08005	6.8
285.07349	1.0
294.05289	1.2
295.05899	0.9
311.09421	1.0
322.04849	1.8
325.10751	1.2
337.06879	1.1
353.10361	1.1
357.09653	0.8
365.06540	2.3
365.13882	1.6
366.15173	0.9
367.08231	1.8
369.09592	1.9
380.12637	1.5
381.13406	1.1
383.14850	2.9
391.88712	0.8
393.05960	2.3
393.13516	2.0
396.24500	0.8
411.14410	47.4
412.14691	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	411.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42222	1.2
53.03922	2.1
55.01856	2.0
55.05492	1.4
65.03942	1.7
67.05470	3.6
68.99761	1.3
69.03432	1.9
69.07050	1.5
69.60944	9.2
70.06573	3.7
77.03943	1.3
79.05479	9.0
81.03402	1.9
81.07035	3.8
83.04970	1.3
84.08132	4.4
85.02888	1.9
88.15202	1.3
91.05458	6.6
93.07008	3.7
94.04180	1.9
95.04947	5.1
95.08610	3.1
97.02876	1.4
97.06503	4.8
103.05453	3.7
105.03391	4.1
105.07011	3.6
105.76969	1.3
107.04945	12.6
107.08547	1.8
108.05701	2.4
109.02904	1.8
109.06480	3.0
110.20145	1.2
115.05431	5.5
117.07006	2.6
119.04927	2.2
119.08562	1.4
121.00647	1.1
121.06482	3.8
123.04426	1.8
124.05170	4.4
125.05993	2.9
128.06194	2.8
129.06960	5.4
131.04890	1.8
131.08531	3.5
133.06473	2.9
133.10159	1.4
135.04378	4.7
135.08032	1.8
136.05151	2.4
137.05952	4.9
139.07524	11.4
141.06966	5.7
144.05670	2.4
145.06470	5.4
145.10110	1.4
147.04410	8.4
148.05142	2.8
149.02388	1.6
149.06013	1.7
150.06766	1.5
151.07516	18.2
153.01833	2.9
153.05765	1.1
153.06941	6.4
154.07686	2.9
155.04868	1.8
155.07152	2.2
155.08527	9.2
158.07301	1.4
159.04396	34.0
159.08005	1.7
160.04762	1.1
161.05965	6.3
162.06726	3.0
163.03885	2.9
165.06978	5.2
165.09088	2.6
167.03366	2.2
167.07019	10.7
168.05696	4.9
169.06465	14.3
169.79732	1.2
170.07253	8.0
171.04308	2.9
171.07999	1.7
173.05933	7.0
175.07414	1.8
176.04663	2.6
177.05499	7.2
178.06236	2.1
179.07008	38.0
181.04932	11.2
181.06418	2.5
182.07265	1.5
183.08044	11.6
185.05948	1.6
185.09505	1.6
186.06801	1.3
187.07527	7.9
189.05466	2.4
191.07014	17.7
192.07758	12.8
193.08522	5.4
194.07199	1.6
195.06433	1.3
195.08101	5.5
197.06059	1.9
198.06691	8.4
199.07457	2.4
201.05438	15.9
201.09077	8.5
203.10666	1.8
205.08583	3.2
207.06415	1.4
211.07521	49.5
212.08148	2.5
213.09035	5.5
215.06969	6.0
219.06433	10.8
220.07321	3.2
227.07016	4.5
229.08557	100.0
230.08948	2.8
233.09413	1.3
239.06966	3.7
257.08032	6.8
267.06528	1.6
294.05194	1.5
313.06696	1.7
319.13089	1.3
337.10550	2.2
339.08548	1.6
341.10059	3.0
365.13696	3.7
367.08087	6.2
369.09662	2.4
380.12653	1.6
383.15149	2.2
393.05414	2.1
393.13629	8.0
411.14313	40.6
411.19775	11.4
411.24957	1.5
412.14624	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	411.1433
Annotation	Sumatrol
Peak:m/z	Relative Intensity
52.08795	0.7
53.03918	1.4
55.01830	1.1
55.05460	1.0
58.15919	0.6
65.03913	1.3
67.05464	1.6
68.99722	0.8
69.03390	0.9
69.43184	0.6
71.60488	1.0
77.03877	1.2
79.05482	6.8
81.03371	1.7
81.07026	1.7
82.06535	1.0
89.03822	0.6
91.05466	5.7
93.03346	0.8
93.06975	1.7
94.04136	1.9
95.04958	3.3
97.06511	3.0
103.05436	1.5
103.12872	0.6
105.03394	3.2
105.04476	0.8
105.06956	2.7
107.04938	10.9
108.05696	2.1
109.02805	0.7
109.06444	1.3
115.05415	6.1
117.06996	3.3
118.04088	0.8
119.04874	1.9
121.02791	1.5
121.06483	3.6
122.03601	1.1
123.04386	1.2
124.05180	4.8
125.05939	2.3
128.06163	1.9
128.07048	1.2
129.06973	3.8
131.04889	1.8
131.08504	2.9
133.02831	0.7
133.06438	2.7
133.10048	0.8
135.04402	5.2
135.08003	0.9
136.05122	2.2
137.05904	1.2
139.07510	12.4
141.06969	4.4
143.08521	0.9
144.05649	1.8
145.02852	0.9
145.06470	4.4
145.10143	0.8
147.04372	6.4
148.05188	3.4
149.02295	2.1
149.05919	2.0
150.06728	0.9
151.07527	13.2
152.04584	0.8
152.06110	2.3
153.01781	0.9
153.05717	0.7
153.06975	5.7
154.07797	3.3
155.06963	2.9
155.08492	6.7
157.06398	0.9
158.07240	0.9
159.04390	34.9
159.07994	2.1
160.04976	0.8
161.05992	4.4
162.06769	3.8
163.03848	1.9
164.04593	1.2
165.05489	1.2
165.06917	6.3
165.09045	2.7
167.03302	2.2
167.07030	14.7
167.08409	0.8
168.05685	6.1
169.05133	1.0
169.06471	14.3
170.07240	7.4
171.04381	2.2
171.07870	1.3
172.05214	0.7
173.05954	6.1
175.03925	1.4
176.04655	2.4
177.05432	8.2
178.06227	1.3
179.07014	20.8
181.04915	7.7
181.06418	1.6
182.07278	1.2
183.07994	9.5
184.05174	0.7
184.08766	1.1
185.05962	1.3
186.06673	0.8
187.03879	2.2
187.07526	10.3
189.05426	1.9
191.06996	16.1
192.07770	17.4
193.04865	1.0
193.08626	5.3
194.07187	1.5
195.06477	1.4
195.08044	2.6
197.05946	2.5
198.06740	8.0
199.07503	2.4
200.08186	0.7
201.05453	9.3
201.09088	6.0
205.04893	1.3
205.08543	3.5
207.06456	0.7
210.06703	1.9
211.07521	45.8
212.07954	1.9
213.09088	2.9
215.07008	3.2
216.80644	0.7
217.08597	0.7
219.06474	11.1
220.07220	3.0
225.05438	0.9
227.07045	4.1
229.08563	100.0
230.08987	2.7
239.06992	3.4
243.06546	1.6
257.08032	5.7
265.08722	0.8
267.06369	0.9
279.06442	0.8
287.06882	1.0
295.09702	1.0
305.11877	0.7
307.06009	0.7
313.10535	0.8
323.09021	0.9
325.06985	1.1
333.11154	1.1
341.10159	2.4
347.12793	2.5
349.10754	1.2
350.11404	0.8
365.06375	1.7
365.13828	3.5
367.07953	1.7
369.09525	0.7
375.12396	1.0
377.01712	1.4
380.12750	1.5
383.15030	1.9
393.05759	1.3
393.13483	6.2
411.14429	55.3
412.14828	3.6
428.68320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23801	0.9
56.96556	10.4
69.03406	1.8
70.00748	5.6
79.55849	1.0
85.02876	1.7
87.04473	1.0
98.20779	1.3
98.97569	81.1
101.00900	1.5
110.97575	2.2
112.99101	2.2
116.98603	36.4
119.01905	3.4
124.99064	4.9
128.98596	2.2
131.00096	5.3
133.03464	2.7
134.99628	8.0
140.00127	1.6
140.98584	2.2
143.00134	22.9
143.01855	1.4
145.03441	2.7
146.08220	1.1
146.99661	1.7
147.03131	1.7
149.01201	2.8
152.98608	1.2
155.01855	2.4
156.98117	3.1
157.03477	1.5
158.99600	8.4
161.01201	23.0
161.03056	1.6
170.99629	11.2
171.05014	2.2
173.01216	1.3
173.02916	1.4
174.99155	1.7
175.04503	1.8
177.00690	9.0
179.02275	3.6
182.99615	14.7
185.01241	1.3
185.02957	2.0
187.04559	1.1
189.00696	17.3
191.02222	2.2
193.93126	1.0
195.01689	2.5
201.00684	29.1
203.03972	1.3
207.01749	4.8
213.00681	1.5
217.05579	2.0
219.01714	23.5
231.01654	6.1
235.06607	1.1
237.02773	2.3
245.05031	2.6
249.02783	45.6
250.03236	1.5
253.07629	1.7
261.08047	1.5
267.03833	16.1
277.07635	2.2
281.05499	1.1
291.03815	100.0
292.04065	2.0
295.08603	3.1
309.04910	14.6
321.08746	1.3
332.06345	1.9
351.05988	6.4
351.11267	7.6
379.10730	3.0
411.08624	6.8
411.13483	4.0
411.20493	2.3
429.14426	2.3
432.26871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06081	100.0
71.15363	1.8
81.03424	0.9
85.02891	1.3
116.14375	1.0
127.03874	1.3
129.07005	1.1
141.06955	1.9
142.07771	1.2
143.04872	2.3
147.04388	1.3
147.09157	2.6
148.05173	2.3
152.06175	1.5
153.06984	2.0
157.06514	1.2
159.04417	0.9
159.08008	2.6
161.05962	6.8
162.05484	4.3
162.06679	1.2
165.07042	1.3
166.07788	1.6
167.04982	1.2
167.08549	2.1
169.06467	2.8
170.07175	1.9
171.08002	1.4
173.05968	12.9
175.07529	4.2
177.09018	1.3
179.08524	2.7
181.06474	2.9
181.10124	4.0
183.07965	1.5
185.05998	4.2
187.07512	8.1
188.08305	35.3
189.08931	2.1
190.09865	18.7
190.11432	1.8
191.08437	4.5
191.10117	1.5
193.06512	1.2
194.07256	2.5
195.08072	3.9
197.05994	2.9
197.09648	1.2
198.06674	0.8
199.07454	2.4
199.11162	1.2
200.08322	3.8
201.09030	5.3
203.07022	2.4
205.08546	1.4
207.08025	4.2
209.09616	10.5
210.06744	1.8
211.07523	7.4
213.05489	3.9
213.09067	5.8
215.07193	1.2
215.10722	1.9
217.05016	1.3
219.08002	3.0
220.10938	4.4
223.03830	3.0
223.07550	2.8
225.09071	12.6
226.06174	0.9
227.07031	1.2
227.10609	16.0
229.05066	1.3
229.12218	6.7
235.07504	3.9
237.09082	12.4
239.07082	1.7
241.04951	5.2
241.08545	6.6
253.08562	13.7
255.10129	12.5
259.06024	4.7
259.09714	1.3
263.06973	2.1
265.08514	11.0
271.09555	6.6
273.11118	10.8
281.08017	11.6
283.09616	50.8
284.09924	2.0
299.09143	7.6
301.10651	16.3
317.10229	9.2
319.11676	9.3
325.13770	4.6
331.21545	1.0
394.12329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03373	1.4
59.04991	1.9
62.06082	86.7
63.06416	1.5
65.76246	1.3
71.10757	2.0
71.11110	2.0
118.43318	1.3
141.06970	1.3
143.04939	5.1
145.06448	1.5
148.05159	4.8
153.07059	2.8
157.06459	2.7
159.08121	2.2
161.05957	10.8
161.75050	1.2
162.06741	2.3
165.06978	2.9
167.08565	2.8
169.06439	4.6
170.07216	2.3
171.07944	1.8
173.05957	18.0
175.07494	6.8
179.08578	2.6
181.06528	4.0
181.10147	4.9
183.04077	1.7
183.07980	1.9
185.06007	6.7
185.07430	1.3
187.07491	8.0
188.08308	30.1
189.08804	2.7
190.09859	29.1
191.08566	5.6
191.10234	1.2
194.07271	1.4
195.08023	4.9
197.05928	2.1
197.09566	2.4
199.07539	2.1
200.08307	4.7
201.09036	3.4
203.07079	2.5
205.08566	2.0
207.08118	2.8
209.09610	15.3
211.07555	4.4
213.05476	6.6
213.08968	7.0
215.07068	1.8
215.10704	1.6
217.04935	2.2
219.08028	8.0
220.10915	2.5
223.03879	5.3
223.07570	5.2
225.09090	14.4
226.06238	1.8
227.07118	1.5
227.10664	17.1
229.12263	10.1
233.04430	1.9
235.07475	2.0
237.09067	26.6
238.09544	2.4
239.06859	1.7
241.04938	6.3
241.08582	11.5
247.07690	1.5
253.08595	17.6
254.08949	1.8
255.06688	1.2
255.07198	1.5
255.10100	18.5
259.05969	9.3
263.06949	2.1
265.08612	21.6
266.09015	2.4
271.09460	4.4
273.11163	13.9
281.08035	12.6
283.09622	100.0
284.10043	5.9
299.09152	4.3
301.07263	2.6
301.10657	39.2
302.10910	3.6
317.10193	3.8
319.11728	37.0
320.12253	2.0
349.12967	2.3
410.18027	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	410.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01865	9.0
55.03680	1.6
57.03428	8.1
61.02925	7.5
61.71487	1.5
62.06052	2.2
67.05464	1.5
68.99749	3.8
69.03059	2.2
69.03416	32.9
70.06553	2.7
71.04948	4.4
71.33501	2.9
73.02911	10.8
79.05434	1.4
81.03405	22.3
81.07005	2.5
82.06532	4.1
84.08086	2.8
85.02895	100.0
86.09686	2.0
87.00817	44.7
87.01321	1.5
87.04400	2.0
91.03912	1.4
91.05415	4.3
93.07025	1.6
95.08613	1.3
97.02879	39.1
99.04446	17.2
101.02323	1.4
101.25393	1.3
105.01853	68.1
106.88586	1.6
108.08131	1.6
109.02865	36.4
109.06461	2.5
110.07157	2.1
115.03888	2.6
117.01804	3.1
117.03336	2.0
118.41608	1.3
119.04922	3.7
119.08509	1.9
127.03898	88.0
127.07493	3.2
128.07022	2.9
129.01761	3.5
131.08499	2.1
136.07489	3.3
143.04781	1.3
145.02855	2.6
145.04938	41.7
145.08527	6.6
147.02914	2.9
147.04329	9.5
147.07977	2.6
159.02873	21.0
162.05383	3.7
168.27591	1.3
175.07481	2.1
176.07016	1.5
177.05365	3.6
187.07526	1.7
189.03903	3.2
189.12799	2.6
190.08559	5.1
213.03796	4.2
218.07968	4.5
230.15320	5.6
231.04970	26.1
236.09164	2.2
248.16521	2.7
249.05911	7.9
283.09460	1.4
332.13080	1.6
410.14258	5.1
410.18390	52.5
411.10532	3.8
411.15891	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05508	8.0
57.07065	4.9
67.05502	24.0
69.07061	28.5
79.05477	7.3
81.07046	61.0
83.08588	14.5
91.05509	4.3
93.07037	19.5
95.08599	100.0
96.08978	4.2
97.10148	5.9
105.07038	13.6
107.08578	27.8
109.10148	54.4
111.11710	8.9
118.65443	2.3
119.08588	15.3
121.10126	29.2
123.11698	23.1
133.10146	14.5
135.11720	18.0
137.13243	31.8
147.11687	17.7
149.13245	18.1
159.11719	4.0
161.13266	11.7
163.14821	10.4
164.22357	2.7
175.14828	9.8
177.16406	10.4
187.14822	4.2
189.16356	4.9
191.17912	9.0
201.16438	3.2
203.17908	12.8
205.19482	8.8
217.19507	7.0
231.21109	13.3
243.21040	3.8
245.22716	6.9
257.22592	7.3
259.24210	11.0
271.24200	14.4
285.25778	4.8
353.81140	3.0
409.38278	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	409.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.05491	12.5
57.07059	6.0
62.23928	3.4
65.04620	3.5
66.80021	3.3
67.05498	29.9
69.07050	31.6
71.51382	7.1
75.37579	3.5
79.05498	8.6
81.07045	50.2
82.70084	3.7
83.08608	12.7
86.96189	3.4
91.05478	8.9
93.07058	19.0
95.08595	100.0
97.10161	8.3
105.07019	12.2
107.08579	31.2
109.10150	76.7
110.07188	3.2
111.11712	13.4
119.08558	19.1
121.10113	26.8
123.11697	27.7
126.21207	4.4
133.10107	13.1
135.11650	19.2
137.13214	23.9
147.11644	16.7
149.13246	29.6
149.43396	3.4
151.14807	5.0
161.13269	13.8
162.75392	3.5
163.14796	31.1
175.14809	8.4
177.16389	13.0
189.16373	13.6
191.17934	15.8
203.17908	18.9
205.19455	23.5
217.19496	11.1
219.21072	10.3
229.71278	3.5
231.21127	6.2
240.39572	3.6
245.22714	9.1
247.24094	5.5
257.22659	4.8
259.24194	6.4
271.24146	5.7
285.25803	4.0
299.27264	5.7
409.38254	51.3
410.38550	5.6
422.96939	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3823
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05495	10.6
57.07062	12.0
64.98516	3.9
67.05482	21.2
69.07062	43.0
70.69392	10.0
79.05475	11.0
81.07044	75.3
83.08601	16.1
91.05479	9.9
93.07006	24.1
95.08591	100.0
95.09202	5.7
97.10136	6.1
105.07005	22.4
107.08591	27.4
109.10145	54.4
111.11705	7.5
119.08570	21.8
121.10136	37.4
123.11684	33.5
133.10114	17.2
135.11668	23.4
137.13237	34.3
138.13588	3.8
145.10077	9.1
147.11653	16.0
149.13240	27.7
151.14856	6.0
159.11687	12.4
161.13258	15.2
163.14772	13.9
173.13321	8.3
175.14876	10.9
177.16386	15.3
187.14713	7.8
189.16423	8.5
191.17960	10.1
199.14696	4.0
201.16397	6.5
203.17949	8.3
205.19434	4.4
215.18007	6.9
219.21179	3.9
229.19482	7.8
231.21056	17.2
243.21274	4.6
245.22812	4.1
259.24222	13.9
271.24149	10.4
285.25873	7.6
313.28851	4.6
327.29883	4.8
409.38223	80.5
410.38437	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11534	2.6
53.03933	3.8
55.01850	3.5
55.05503	19.5
57.07063	9.1
58.55860	3.2
59.05013	3.1
65.03917	5.3
67.05496	27.0
69.03422	7.3
69.07050	13.5
71.04996	3.1
71.60448	5.6
73.13046	2.8
79.05493	27.1
81.07038	38.1
83.04954	6.6
85.06528	4.0
91.05467	42.4
93.07036	60.0
93.20739	2.9
95.04963	49.3
95.08592	33.6
97.06508	11.6
103.05418	2.6
105.07020	100.0
107.08591	28.3
108.36821	2.6
109.06503	11.3
109.10138	11.4
111.08058	4.5
115.05437	3.5
117.06965	17.0
117.74646	2.8
119.08566	73.8
121.06515	22.4
121.10128	18.0
123.08054	21.8
123.11690	3.4
125.05897	3.3
128.06233	5.5
129.06990	10.7
131.08539	23.6
133.06474	5.7
133.10110	22.6
135.08049	17.1
135.11708	8.9
137.05946	4.0
137.09602	7.2
141.06969	8.1
142.07744	14.0
143.08517	18.3
145.10095	44.2
147.08008	23.4
147.11668	41.9
149.09628	13.1
149.13336	3.5
151.07504	22.9
155.08539	10.2
156.09311	7.2
157.10161	25.7
159.08032	7.2
159.11687	18.4
161.09586	9.9
161.13246	8.4
163.11171	5.7
165.09103	33.1
167.08511	6.3
168.09399	5.3
169.10095	15.0
171.11671	10.2
173.09645	4.4
173.13234	8.0
175.11151	25.6
181.10091	6.2
181.12334	3.4
183.08069	3.0
183.11691	13.4
185.13312	6.8
187.11340	3.7
187.14920	3.7
189.12711	6.8
193.10005	2.8
197.13145	3.6
201.12750	12.5
203.14313	13.9
205.16104	2.8
207.13795	7.2
209.13297	3.6
209.15338	4.2
211.11325	3.4
211.14851	6.1
219.13754	4.4
221.15320	69.7
229.15939	3.8
234.16139	12.8
286.19318	5.3
287.19861	8.4
300.20844	3.9
329.21106	5.9
363.52924	3.4
391.26169	6.5
409.27228	47.4
409.34967	3.6
427.96609	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03929	5.6
53.46088	2.1
55.01854	3.1
55.05506	15.2
55.47923	1.7
57.07055	7.3
59.04977	4.0
65.03905	2.1
67.05497	24.1
69.03423	10.6
69.07053	9.8
70.11115	1.8
70.50928	4.7
79.05479	21.9
81.07043	29.6
83.04966	6.8
83.08599	3.3
85.06517	5.4
91.05468	37.8
93.07031	48.3
95.04955	48.5
95.08594	31.5
97.06506	9.3
101.95001	1.9
103.05453	4.2
105.07015	100.0
107.04900	2.8
107.08578	27.8
109.06518	15.2
109.10138	27.7
115.05415	3.7
117.07005	16.2
119.08565	65.0
121.06493	21.6
121.10131	20.0
123.08050	20.6
128.06253	4.4
129.07005	11.5
130.07750	3.6
131.08542	25.1
133.06480	4.5
133.10107	22.2
135.08060	13.6
135.11664	4.3
137.09555	10.3
141.06943	6.0
142.07776	14.3
143.08549	23.5
144.09296	4.0
145.06503	4.3
145.10109	45.0
147.08029	18.9
147.11653	31.4
149.09608	13.3
151.07509	23.8
153.06961	2.3
153.09058	3.2
155.08522	8.5
156.09309	3.4
157.10097	26.4
159.08014	7.3
159.11662	18.2
161.09602	9.8
161.13196	5.3
163.11150	5.1
165.09108	33.5
167.08484	2.2
168.09326	7.7
169.10110	14.7
170.10774	3.7
171.11673	12.8
173.09608	5.3
173.13187	7.2
175.11142	18.9
177.09024	4.7
178.09860	1.9
179.08513	2.9
181.10110	4.3
181.12169	2.8
183.11690	9.8
185.09514	2.6
185.13239	6.1
187.11089	7.5
187.14778	3.2
189.12729	6.0
191.14302	4.2
194.10963	2.1
195.11626	5.2
196.12456	3.5
197.13219	4.8
199.11131	3.8
199.14751	2.3
201.12766	8.7
201.16264	2.8
203.12624	2.1
203.14244	10.5
207.11942	2.6
207.13712	10.2
209.13246	4.5
209.15311	3.1
211.14752	8.9
213.12801	2.6
215.14246	2.2
219.13782	4.0
221.13313	2.8
221.15326	60.9
223.14645	2.6
225.16307	2.1
226.16879	1.9
229.15916	3.7
231.13910	2.1
233.15314	3.5
234.16115	12.1
236.15750	1.7
253.15862	4.0
286.19357	3.6
287.19946	7.9
300.20810	3.1
313.21658	1.9
313.43939	2.2
329.20941	4.0
391.26163	6.5
409.27271	51.0
410.27286	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.05496	19.5
57.07056	6.0
59.04985	4.5
65.03931	3.6
67.05492	18.6
69.03408	8.8
69.07033	8.1
69.25358	21.4
79.05472	17.5
81.03377	2.7
81.07041	31.9
83.04949	5.2
85.06518	3.6
91.05465	38.8
93.07027	42.0
93.99644	1.7
95.04951	50.9
95.08587	28.4
97.06501	7.4
98.46062	1.8
103.05413	3.0
105.07011	100.0
106.07343	3.2
107.04948	2.9
107.08569	22.9
109.06511	14.5
109.10143	9.2
115.05452	1.9
117.07013	16.4
118.07793	1.8
119.08554	58.8
121.06481	16.5
121.10117	13.0
123.08052	16.4
128.06190	6.8
129.06966	8.7
130.07738	3.2
131.08534	24.4
133.06430	5.8
133.10094	18.2
135.08038	12.0
135.11673	5.9
137.09575	11.0
141.06927	4.7
142.07744	10.9
143.08539	12.4
144.09329	3.4
145.06413	2.1
145.10100	37.4
146.10710	2.0
147.08040	17.9
147.11659	41.2
148.08720	2.1
149.09590	10.5
151.07509	21.9
153.07014	3.3
155.08514	5.6
156.09293	5.4
157.10123	17.7
159.08032	5.5
159.11685	11.5
161.09605	8.1
161.13223	6.0
163.07440	2.0
163.11166	6.2
165.09088	29.3
167.08580	1.8
169.10092	7.4
170.10873	2.3
171.11632	7.0
173.09615	6.2
173.13222	5.7
174.10419	2.2
175.11147	30.3
177.09082	3.5
179.08517	2.0
181.10030	5.4
181.12267	1.8
183.11678	8.2
185.13168	4.6
187.11148	4.5
187.14761	2.1
189.12711	6.2
193.10237	2.6
196.12440	2.6
197.13252	3.0
199.11137	3.1
199.14746	2.0
201.12683	8.9
203.14268	15.0
207.11928	2.5
207.13779	9.8
209.13213	2.5
209.15318	4.0
211.14751	6.1
213.12656	2.6
215.14380	2.6
219.13710	3.8
221.15312	60.7
222.15645	2.4
223.14705	2.3
229.15698	4.0
231.13789	3.3
233.15292	4.0
234.16100	16.6
252.79929	2.1
253.15810	2.5
265.06284	2.2
269.18723	2.2
286.19156	3.3
287.19946	8.2
300.20749	5.6
329.21127	7.3
344.27307	1.8
369.00067	1.8
391.25995	3.1
409.27209	30.7
410.27444	2.0
419.47406	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
54.14910	1.3
55.01864	2.1
55.05507	21.0
57.07053	7.5
59.04983	2.4
65.03930	1.5
65.76993	1.6
67.05191	1.8
67.05497	19.2
69.03430	7.4
69.07064	7.7
71.04963	1.6
71.15263	2.5
77.03927	1.8
77.41260	1.4
79.05485	24.8
81.03411	2.6
81.07044	29.5
83.04975	4.2
83.08583	1.6
85.06528	3.0
91.05462	37.2
93.07033	44.3
95.04958	56.0
95.08016	2.6
95.08589	26.2
97.06517	7.6
103.05420	2.2
105.04466	1.5
105.07011	100.0
107.04953	1.6
107.08586	23.3
109.06481	11.6
109.10146	8.4
111.08060	4.0
115.05399	2.4
117.07008	13.6
119.04922	3.0
119.08559	65.7
120.09386	1.6
121.06478	15.1
121.10122	13.1
123.08059	17.9
128.06171	5.8
129.07002	9.1
130.07800	4.3
131.08540	22.4
133.06459	5.4
133.10097	18.0
135.07999	12.6
135.11694	3.6
137.09567	9.4
141.06912	3.6
142.07732	12.0
143.08546	14.5
144.09337	2.2
145.06450	3.0
145.10107	37.9
147.08041	17.8
147.11661	38.8
149.09608	10.9
151.07523	16.5
153.06973	2.0
155.08542	7.5
156.09300	6.6
157.10109	19.1
159.08018	5.3
159.11700	12.7
161.09596	8.9
161.13257	5.9
163.11182	5.3
165.09087	38.7
166.07845	1.6
167.08510	2.2
167.74504	1.4
168.09305	4.1
169.10097	10.5
170.10762	2.1
171.11670	8.2
173.09590	5.0
173.13220	6.4
175.11162	31.8
175.14830	2.0
177.09082	5.4
178.09859	1.9
179.10651	1.9
181.10150	6.9
181.12241	2.6
182.10844	2.3
183.11702	9.5
185.09506	2.4
185.13318	4.2
185.72081	1.5
187.11156	5.3
187.14828	2.2
189.12726	5.1
191.14137	1.7
193.10118	1.8
194.10881	1.5
195.11658	2.9
197.13219	3.4
199.11276	4.1
199.14709	2.3
201.12744	9.4
201.16319	1.9
203.14285	13.8
207.11885	2.0
207.13664	8.0
209.13344	3.4
209.15364	3.9
211.14777	4.9
213.12766	2.6
215.14238	3.5
216.15010	2.8
219.11655	1.6
219.13777	5.9
221.15324	75.3
222.15707	3.9
223.14751	2.4
225.12613	1.8
225.16310	2.2
229.15833	4.9
231.13744	3.7
233.15367	3.8
234.16130	16.6
269.18945	1.5
271.16873	1.9
286.19244	4.6
287.20062	8.5
300.20718	4.0
329.21341	7.0
335.19931	2.3
340.11359	1.5
353.21155	2.2
391.26358	3.9
409.27313	41.0
410.27591	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
55.05274	2.3
55.05506	19.3
56.05798	2.4
57.07050	7.1
59.04986	3.2
59.47102	2.2
65.03919	2.6
67.05495	28.4
69.03410	8.2
69.07049	10.3
71.65849	5.2
77.03897	2.5
79.05473	25.4
81.03386	3.4
81.07045	43.4
83.04941	6.6
83.08592	6.2
85.06478	3.1
91.00902	2.5
91.05466	40.5
93.07028	52.4
95.04959	52.2
95.08593	31.6
97.06501	10.3
103.05428	4.5
105.07014	100.0
105.07726	4.8
106.07365	3.3
107.08572	29.2
109.06504	13.4
109.10155	14.4
111.08035	4.6
112.11134	2.3
115.05437	2.7
117.06972	14.5
119.07745	4.1
119.08565	68.5
121.06486	19.8
121.10126	19.8
123.08051	17.4
125.05984	2.9
128.06226	5.6
129.06992	9.2
130.07764	8.8
131.08549	27.5
133.06462	5.5
133.10104	22.9
135.08051	14.3
135.11656	7.2
137.09581	10.0
141.06958	4.9
142.07784	12.1
143.08600	17.9
144.09254	6.8
145.06429	2.8
145.10094	41.4
147.08029	18.5
147.11659	36.5
149.09631	11.5
151.07526	19.9
153.08998	3.0
155.08536	8.2
156.09279	6.4
157.10103	29.8
159.08069	5.4
159.11670	18.9
160.08855	2.9
161.09573	10.0
161.13248	4.0
163.11171	3.8
165.09106	38.4
167.08444	2.8
169.10161	11.4
171.11673	10.4
173.09612	5.0
173.13205	7.8
175.11151	18.4
177.09140	5.0
179.08543	3.5
181.10085	6.3
183.11688	10.7
185.09622	3.2
185.13210	8.8
187.11095	3.5
187.14784	4.9
189.12671	4.5
195.11682	3.7
196.12538	4.1
197.13255	4.8
199.11179	3.4
201.12709	7.4
203.14337	16.4
207.13812	6.5
209.13222	6.0
209.15402	2.4
211.14755	5.8
213.12726	2.6
219.13727	3.0
221.13292	3.4
221.15318	60.8
222.15782	3.4
223.14728	2.7
227.14227	3.0
229.15779	6.5
231.13768	3.2
233.13130	3.1
234.16182	9.8
271.16766	3.2
287.20016	8.4
300.20590	4.7
329.20865	3.7
330.83505	2.8
358.03363	2.5
391.26044	5.7
409.27145	37.6
409.35001	3.1
409.39923	2.5
413.19897	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38174	0.6
55.39121	0.5
56.96538	2.0
57.03423	0.8
58.99836	0.7
68.98253	0.5
69.03399	1.8
69.62128	2.3
69.62556	2.3
77.00879	0.9
81.03407	0.8
82.99829	0.8
85.02874	1.6
87.04439	0.9
91.02425	0.6
97.02865	1.6
98.21385	1.2
98.97572	2.8
101.00871	8.9
103.02419	1.8
110.97569	0.7
112.99113	0.6
113.00840	1.9
115.02409	3.6
115.03898	1.0
116.98637	0.8
119.01903	19.9
120.02037	0.8
121.03468	1.4
123.75379	0.5
125.00841	0.9
127.02385	6.6
131.00156	1.3
131.01904	6.2
133.03435	8.4
134.03545	0.7
135.01410	1.1
136.70331	0.5
137.00771	1.3
137.02927	2.3
139.02371	2.7
143.00101	0.6
143.01878	8.2
143.05029	0.8
145.03444	41.2
146.03563	2.1
147.01355	1.7
149.01184	2.5
149.02905	1.0
151.04489	2.0
153.02443	0.7
155.01871	18.9
157.03450	18.0
157.04700	1.1
158.03632	0.9
159.01375	0.8
159.05014	2.9
161.02931	12.3
162.02873	0.8
163.04517	5.0
165.02370	0.7
165.17699	0.6
167.01869	4.0
168.05022	1.3
169.03439	5.3
170.99754	0.6
171.04971	1.2
173.01411	0.7
173.02930	21.3
174.03056	0.7
175.04515	9.3
177.00676	0.8
177.02425	1.1
177.06161	0.6
181.03400	2.0
183.05049	1.1
184.04689	0.6
185.02924	17.9
186.03110	1.2
187.04460	9.8
189.06017	1.1
190.98534	0.6
191.04013	1.4
193.03542	1.0
197.02921	4.3
199.04472	3.2
203.03967	12.1
204.03975	0.8
205.05562	0.6
209.02954	2.0
211.04478	2.8
213.05937	0.8
215.03957	4.6
217.05547	10.9
219.01736	1.1
221.03014	1.3
221.05025	8.9
223.04561	1.3
227.03981	3.4
229.05623	2.0
233.03178	0.9
235.06587	31.7
236.04411	0.6
236.06822	1.7
237.02841	0.8
239.03967	3.8
240.37701	0.6
241.05414	0.8
245.04906	1.5
246.08891	0.7
247.06619	0.7
251.04247	2.1
253.07658	24.1
254.07983	1.6
257.05081	2.2
258.08148	1.8
259.06650	1.6
263.04004	0.9
265.07770	3.3
269.05145	3.6
271.06387	3.1
277.07739	4.4
281.05392	2.2
287.06110	2.2
289.07657	2.4
291.09174	1.7
293.05319	0.7
295.08661	1.1
296.93353	0.6
299.05988	1.7
301.07547	6.4
305.07217	0.8
313.07687	0.9
319.08694	66.3
320.08862	4.7
331.08719	5.5
349.09756	100.0
350.09982	7.5
367.10757	10.4
368.10907	0.8
385.61472	0.6
390.12305	1.4
409.05975	0.7
409.12161	3.5
410.19818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01850	1.6
55.05511	0.6
56.53011	0.4
57.03433	0.6
67.05481	0.5
69.03426	3.4
69.07063	0.4
70.04050	0.9
70.04466	1.7
70.06569	0.9
71.04990	0.8
73.02895	0.7
81.03391	3.1
81.07021	0.8
82.06561	0.6
84.08133	0.8
85.02893	9.4
86.09710	0.6
87.00816	4.0
91.05441	1.1
95.04977	0.6
95.37535	0.4
97.02876	3.7
97.06477	0.4
99.04449	1.6
105.01855	5.8
105.07004	0.8
107.04905	0.6
109.02858	3.6
118.96616	0.5
127.03898	8.4
128.07074	0.6
136.07541	0.9
143.08548	0.4
145.02827	0.5
145.04924	4.1
145.08560	0.7
145.10161	0.6
147.11678	0.5
149.06023	0.4
159.02879	2.3
163.03923	0.5
171.54143	0.5
177.05429	1.0
188.10597	0.6
203.05322	0.7
215.10675	0.5
216.10207	1.1
231.04987	2.2
243.07813	0.6
244.09502	0.5
285.08725	0.9
289.08087	0.7
303.13321	0.8
313.08136	1.3
331.09094	2.3
331.12900	5.0
349.10309	1.6
377.09604	0.7
391.10709	1.4
409.18298	100.0
410.18518	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	409.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98544	3.3
55.01863	6.7
55.05504	38.4
56.05832	9.1
57.03419	6.7
57.07030	4.2
58.99576	15.8
61.02913	5.0
67.05497	15.2
69.03419	17.2
69.07058	11.3
70.06583	10.9
71.01373	3.5
71.04964	4.9
71.18245	8.4
76.02223	6.2
79.05486	11.1
81.03401	10.8
81.07047	31.2
81.12142	3.4
83.04980	8.0
83.06110	4.1
83.08613	44.3
84.04491	23.4
84.08132	7.3
84.08952	14.3
85.02899	34.4
85.04831	6.2
85.06538	9.8
86.09695	11.5
86.99048	7.3
87.00830	7.8
91.05467	15.6
93.07042	32.5
95.04949	11.9
95.08589	41.5
97.02885	14.0
97.06538	5.1
97.10175	5.5
99.04439	9.0
99.08090	57.6
101.78816	3.6
105.01838	8.3
105.07031	24.3
107.04952	5.7
107.08578	52.8
109.02864	8.4
109.06532	5.0
109.10167	17.9
110.06048	5.1
110.41244	3.4
111.04441	4.7
111.08047	8.4
113.09656	8.5
116.01659	44.8
117.01990	15.5
118.01237	4.0
119.04975	4.3
119.08569	63.9
120.08096	4.6
121.06473	4.5
121.10132	23.4
123.11688	9.0
127.03911	18.2
130.04996	4.2
133.10117	92.2
135.04420	4.3
135.11685	40.5
136.07544	9.1
137.05977	12.5
137.09584	9.9
143.08130	4.7
144.01125	16.5
145.01445	10.3
145.04982	10.5
147.11723	6.1
149.02281	7.0
149.13203	6.9
151.03889	6.8
153.05447	5.0
155.10577	5.1
159.02917	5.7
159.08331	19.7
160.08687	16.6
162.02188	73.9
163.02505	23.9
163.03772	5.5
163.14792	86.0
164.01793	8.2
173.09540	4.2
175.14792	78.8
177.05493	9.1
181.15857	24.1
193.15865	54.9
199.16927	14.7
201.12326	9.2
211.16911	95.0
229.17967	100.0
239.08217	4.3
262.11023	19.8
263.11371	28.9
280.14056	15.0
283.09491	4.8
331.09314	7.0
331.12946	6.0
334.14923	8.9
349.10544	6.4
365.12219	3.8
377.09631	5.5
391.10120	6.9
409.11398	8.6
409.17868	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	409.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13440	2.2
55.28773	2.5
56.96551	6.8
69.03444	3.5
69.55656	20.8
82.85171	2.3
85.02898	3.6
86.95570	2.2
96.16413	2.4
97.02865	3.4
98.21445	4.9
98.97556	9.9
101.00869	14.6
102.43697	2.5
115.02405	6.7
116.98602	6.1
119.01907	40.3
127.02387	9.8
131.01874	12.5
133.03455	14.3
137.02963	3.0
138.05547	2.8
139.02449	3.8
143.01878	18.6
145.03433	57.6
147.01315	4.8
149.03008	2.9
155.01866	32.7
157.03470	28.7
158.03574	2.7
158.99597	3.1
160.05379	2.5
161.01103	3.0
161.01514	3.1
161.02922	29.9
163.04495	11.4
167.01926	3.9
169.03459	8.5
171.01376	3.3
171.04976	3.5
173.02943	36.5
175.04492	11.4
185.02953	28.4
187.04530	14.5
187.05975	2.9
189.00710	3.1
189.02359	2.7
191.03923	5.0
197.02997	6.0
201.02469	3.8
203.03978	16.1
209.03072	3.7
211.04552	3.9
215.04002	7.4
217.01805	6.2
217.05533	10.1
221.05099	10.8
227.03934	3.1
229.05608	2.7
231.03464	5.0
235.06601	30.2
239.03941	3.7
251.04054	5.3
253.07628	24.2
265.07474	2.9
269.05264	6.2
277.07590	7.9
281.05362	3.4
282.06973	2.9
287.06223	4.7
289.04010	10.3
290.04129	3.6
301.07544	7.8
307.05093	8.5
319.05026	4.0
319.08731	64.7
320.09006	5.8
331.08685	5.2
349.09766	100.0
350.10114	8.5
367.10806	14.8
409.10992	29.6
410.19812	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	409.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	21.9
58.99841	3.1
61.45039	2.2
69.03402	4.6
69.85749	16.9
74.97573	3.3
77.00880	5.1
81.03400	2.5
82.99838	4.3
85.02866	5.3
90.01166	2.1
91.02441	3.8
91.05412	2.4
97.02872	4.8
97.32261	2.5
98.21188	8.1
98.97567	20.2
101.00861	23.9
105.00322	3.5
107.04900	2.9
113.00846	4.8
115.02399	10.6
116.98604	11.9
119.01907	99.4
120.01931	3.0
126.47253	2.3
126.66161	2.5
127.02396	3.7
127.03852	2.4
128.98599	3.4
131.00179	4.0
131.01880	37.2
133.01721	2.6
133.03432	39.4
134.99632	2.9
137.02922	19.1
139.69682	2.5
142.03448	2.6
142.96555	6.8
143.01869	69.3
144.99835	11.9
145.03461	33.6
146.99573	5.9
147.01321	7.8
147.04362	3.0
149.01181	10.4
149.02940	6.3
151.04497	3.2
155.01859	30.3
157.03410	18.6
159.01376	4.3
159.04955	4.7
160.97563	4.9
161.02936	100.0
162.03055	3.8
163.00842	2.6
163.04492	5.7
165.04001	2.9
167.02176	5.8
168.99762	13.3
169.03409	5.7
170.95984	3.4
171.01350	15.3
172.99271	3.2
173.02934	58.9
174.99049	4.5
175.02504	2.5
175.04482	11.2
177.00739	4.9
177.02330	3.8
179.02214	3.2
179.05539	2.6
180.02582	5.8
181.03410	5.6
183.01320	4.3
183.04990	8.6
184.04488	2.8
185.02937	19.9
187.00848	30.5
187.04491	8.8
188.12906	2.8
188.97034	12.1
189.00731	3.4
189.02382	27.0
190.98489	3.3
191.00412	4.8
191.02373	3.4
191.04063	11.8
191.05527	10.8
193.00128	8.3
193.03629	3.0
195.01401	3.0
195.05026	27.2
196.99254	2.8
197.02881	7.6
198.03708	8.0
199.00871	15.1
199.04485	11.7
201.02493	11.7
202.98669	5.0
203.04019	15.0
205.01889	7.3
205.03648	5.4
206.98079	7.4
207.03394	5.9
209.06558	79.2
210.06699	6.0
211.00844	4.6
213.02446	6.8
213.06061	7.9
215.00270	16.8
215.04008	7.0
217.00037	3.8
217.01910	36.9
219.03407	6.0
219.05193	4.3
220.99622	6.9
221.04997	9.4
223.04733	3.9
225.50897	2.7
227.07623	9.4
229.01949	3.3
231.03481	30.1
232.08342	2.7
235.06578	5.0
237.02718	3.9
237.06035	49.1
238.06200	3.3
239.00836	2.9
239.03546	2.5
241.01923	5.6
243.03426	7.4
245.05042	4.7
247.02722	12.4
249.04491	6.1
251.04337	5.7
251.72916	3.0
253.05286	2.8
253.07649	8.5
255.07106	31.1
259.02640	14.4
261.04428	4.1
263.03992	5.6
269.05383	5.4
271.03229	3.7
275.02560	14.1
275.06021	2.4
281.05206	8.5
287.03940	17.6
288.98779	5.0
289.04016	68.0
290.04193	3.7
291.03268	3.0
293.01785	3.1
301.04022	25.3
303.08789	3.6
305.05020	23.9
307.05069	88.9
316.97934	3.7
319.05029	15.8
319.08960	5.1
330.06491	7.6
333.04315	7.6
335.02298	3.4
337.07715	7.4
342.06458	2.9
347.06097	3.3
349.03879	20.4
349.10077	16.7
351.05447	3.3
365.07281	8.8
367.08673	4.6
377.03979	9.7
409.07581	6.0
410.20016	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	409.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	21.9
58.99841	3.1
61.45039	2.2
69.03402	4.6
69.85749	16.9
74.97573	3.3
77.00880	5.1
81.03400	2.5
82.99838	4.3
85.02866	5.3
90.01166	2.1
91.02441	3.8
91.05412	2.4
97.02872	4.8
97.32261	2.5
98.21188	8.1
98.97567	20.2
101.00861	23.9
105.00322	3.5
107.04900	2.9
113.00846	4.8
115.02399	10.6
116.98604	11.9
119.01907	99.4
120.01931	3.0
126.47253	2.3
126.66161	2.5
127.02396	3.7
127.03852	2.4
128.98599	3.4
131.00179	4.0
131.01880	37.2
133.01721	2.6
133.03432	39.4
134.99632	2.9
137.02922	19.1
139.69682	2.5
142.03448	2.6
142.96555	6.8
143.01869	69.3
144.99835	11.9
145.03461	33.6
146.99573	5.9
147.01321	7.8
147.04362	3.0
149.01181	10.4
149.02940	6.3
151.04497	3.2
155.01859	30.3
157.03410	18.6
159.01376	4.3
159.04955	4.7
160.97563	4.9
161.02936	100.0
162.03055	3.8
163.00842	2.6
163.04492	5.7
165.04001	2.9
167.02176	5.8
168.99762	13.3
169.03409	5.7
170.95984	3.4
171.01350	15.3
172.99271	3.2
173.02934	58.9
174.99049	4.5
175.02504	2.5
175.04482	11.2
177.00739	4.9
177.02330	3.8
179.02214	3.2
179.05539	2.6
180.02582	5.8
181.03410	5.6
183.01320	4.3
183.04990	8.6
184.04488	2.8
185.02937	19.9
187.00848	30.5
187.04491	8.8
188.12906	2.8
188.97034	12.1
189.00731	3.4
189.02382	27.0
190.98489	3.3
191.00412	4.8
191.02373	3.4
191.04063	11.8
191.05527	10.8
193.00128	8.3
193.03629	3.0
195.01401	3.0
195.05026	27.2
196.99254	2.8
197.02881	7.6
198.03708	8.0
199.00871	15.1
199.04485	11.7
201.02493	11.7
202.98669	5.0
203.04019	15.0
205.01889	7.3
205.03648	5.4
206.98079	7.4
207.03394	5.9
209.06558	79.2
210.06699	6.0
211.00844	4.6
213.02446	6.8
213.06061	7.9
215.00270	16.8
215.04008	7.0
217.00037	3.8
217.01910	36.9
219.03407	6.0
219.05193	4.3
220.99622	6.9
221.04997	9.4
223.04733	3.9
225.50897	2.7
227.07623	9.4
229.01949	3.3
231.03481	30.1
232.08342	2.7
235.06578	5.0
237.02718	3.9
237.06035	49.1
238.06200	3.3
239.00836	2.9
239.03546	2.5
241.01923	5.6
243.03426	7.4
245.05042	4.7
247.02722	12.4
249.04491	6.1
251.04337	5.7
251.72916	3.0
253.05286	2.8
253.07649	8.5
255.07106	31.1
259.02640	14.4
261.04428	4.1
263.03992	5.6
269.05383	5.4
271.03229	3.7
275.02560	14.1
275.06021	2.4
281.05206	8.5
287.03940	17.6
288.98779	5.0
289.04016	68.0
290.04193	3.7
291.03268	3.0
293.01785	3.1
301.04022	25.3
303.08789	3.6
305.05020	23.9
307.05069	88.9
316.97934	3.7
319.05029	15.8
319.08960	5.1
330.06491	7.6
333.04315	7.6
335.02298	3.4
337.07715	7.4
342.06458	2.9
347.06097	3.3
349.03879	20.4
349.10077	16.7
351.05447	3.3
365.07281	8.8
367.08673	4.6
377.03979	9.7
409.07581	6.0
410.20016	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	408.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25255	1.5
55.01855	1.7
56.05024	2.2
57.03425	2.0
61.41497	1.5
62.06065	2.8
67.05496	3.9
69.03410	4.1
69.07040	5.7
70.06576	6.5
71.04989	2.0
71.58184	2.1
74.06066	4.0
79.05463	4.3
79.77850	1.9
81.07034	6.6
83.04955	2.5
84.08138	4.2
85.02912	7.7
85.06534	2.6
86.09689	12.1
88.33919	1.8
91.05428	8.3
93.07039	8.5
94.41990	1.7
95.04967	4.8
95.08596	3.1
97.02864	6.4
105.07025	11.3
107.08567	5.8
109.06496	7.5
109.10170	2.3
113.06017	1.8
119.08559	6.0
120.08096	10.8
121.10155	2.1
123.04406	3.4
123.11720	2.0
124.01272	1.6
125.05980	2.0
129.10249	1.7
131.04901	2.4
131.08557	4.0
133.10115	53.1
136.07555	9.3
137.05949	8.4
147.11696	13.1
151.11163	39.2
153.05324	1.8
155.07010	13.2
157.10060	2.3
165.12724	2.6
175.11142	6.8
177.05411	4.7
181.04880	6.3
182.05289	4.1
190.09807	2.4
193.09703	4.5
193.12209	26.8
195.84575	2.0
211.13271	100.0
212.13574	2.0
229.14293	19.0
233.16422	4.7
243.07568	2.4
244.09673	5.0
269.08145	2.5
275.11572	2.1
276.12341	2.0
285.08609	4.3
289.08142	2.4
313.08078	5.1
315.09766	2.7
331.09229	6.2
349.10254	6.5
377.09586	3.4
390.12921	1.8
391.11258	3.7
408.12814	15.6
409.12741	3.2
409.18192	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	408.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.05495	1.8
57.03424	2.0
62.06077	3.0
67.05483	3.8
69.03411	2.8
69.07072	6.8
70.06592	7.2
71.04967	2.6
71.17066	5.0
72.08149	2.3
74.06078	4.0
74.07445	2.1
74.19398	1.8
79.05487	3.5
81.03424	3.2
81.07050	6.1
84.08124	3.8
84.27174	2.0
85.02896	7.3
85.06537	3.8
86.09692	12.4
88.03978	1.7
91.05476	7.9
93.07045	9.8
95.04946	4.6
97.02908	4.0
99.04475	2.5
103.05453	2.4
105.07014	10.3
107.04939	2.2
107.08596	6.6
109.02893	2.6
109.06516	5.9
109.10154	2.1
119.08589	3.4
120.08114	8.7
123.04353	3.1
124.03973	2.5
125.05970	3.4
129.15802	1.8
131.08508	4.6
132.56313	1.8
133.10115	43.9
136.07561	7.8
137.06009	7.0
147.11659	9.5
151.11195	28.3
155.07014	9.2
165.12738	2.7
167.07111	3.6
175.11209	6.6
177.05463	4.4
187.07581	2.9
193.09734	2.4
193.10416	2.3
193.12186	22.7
199.18140	2.5
211.13274	100.0
212.13565	2.1
229.14325	18.5
233.16498	5.1
273.08762	2.3
275.11560	2.3
285.08670	2.6
287.05383	2.8
302.80573	2.4
313.08200	4.2
331.09302	5.9
349.10153	3.7
363.04849	3.7
390.13623	4.1
408.12491	12.1
409.12198	5.8
428.90784	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	407.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83268	1.5
53.03929	3.1
55.05501	13.1
57.02101	1.5
57.07056	5.8
60.74891	1.5
65.03925	2.0
67.05494	24.4
69.03429	2.4
69.07052	24.4
69.28527	1.7
69.28820	18.7
79.05479	11.7
81.07043	53.0
83.08598	11.7
91.05455	10.9
93.07028	25.8
95.04977	3.3
95.08590	91.6
97.10162	6.8
97.98561	1.9
98.20719	3.0
105.07013	32.6
107.08576	43.6
109.10138	55.6
111.11704	4.3
114.24183	1.5
117.06995	2.8
119.08565	37.1
121.10125	39.4
123.11692	26.3
129.05426	1.9
129.06918	1.7
129.21255	1.4
131.08557	10.4
133.10112	35.3
135.11671	24.9
137.13235	17.9
143.08565	5.7
145.10098	17.0
147.11655	23.7
149.13234	15.4
151.14828	4.3
157.10103	5.1
158.10846	2.5
159.11691	18.2
161.13226	20.7
163.14786	14.5
169.10152	2.4
171.11685	7.2
173.13206	14.3
175.14810	11.9
177.16373	16.3
183.11699	2.4
185.13260	4.4
186.13983	2.6
187.14783	12.5
189.16348	19.6
191.17935	17.7
199.14760	5.1
201.16350	17.9
203.17908	36.4
205.19539	6.3
213.16328	6.5
215.17906	12.5
217.19470	21.3
219.21153	2.7
227.17935	5.3
229.19441	13.0
231.21144	3.7
241.19525	7.2
243.20998	8.9
245.22739	2.6
255.20999	13.2
257.22592	12.0
269.22595	15.2
271.24231	3.4
283.24197	6.2
297.25809	4.2
351.30411	2.1
365.32132	3.0
389.23248	2.1
394.77621	1.8
407.24677	3.7
407.36697	100.0
408.37030	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	407.3666
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03928	3.1
55.05506	14.1
57.07061	4.8
67.05493	28.1
69.07057	25.7
70.69265	1.5
77.97010	1.6
79.05485	12.1
81.07046	50.6
83.08604	11.4
91.05454	11.9
93.07034	29.8
95.04902	1.6
95.08592	85.6
97.10163	7.9
103.12454	1.7
105.07019	38.9
107.08576	51.4
109.10140	65.4
111.11701	2.8
117.06983	3.5
119.08562	49.6
121.10120	45.0
123.10786	1.9
123.11690	33.8
131.08545	8.5
133.10100	45.3
135.11674	31.3
137.13220	14.5
143.08519	3.0
144.09328	1.9
145.10114	17.2
147.11671	31.6
149.13249	21.7
151.14738	1.9
155.87428	1.5
157.10080	3.9
159.11678	17.0
161.13240	28.1
163.14801	15.9
171.11696	4.4
173.13254	11.2
175.14801	15.9
177.16368	16.0
178.64970	1.5
179.17966	2.7
185.13179	2.9
187.14763	10.6
189.16359	26.4
191.17926	21.3
197.13220	2.2
199.14818	5.5
201.16359	16.8
201.77698	1.7
203.17938	25.9
205.19499	6.1
213.16373	4.3
215.17947	9.3
217.19476	38.4
218.19986	2.0
227.17937	6.7
229.19473	11.9
229.27008	2.6
231.21046	7.1
241.19511	3.9
243.21075	8.2
245.22710	3.2
255.20941	8.3
257.22610	6.9
269.22635	14.3
271.24234	4.1
277.61426	1.7
283.24210	4.6
285.25952	1.8
351.30109	3.2
407.36639	100.0
408.31342	3.7
408.36948	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	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05501	12.7
57.07073	5.8
65.03925	1.2
67.05492	25.6
69.06696	1.4
69.07058	24.5
71.08617	1.8
71.60682	1.4
79.05481	13.1
81.07045	54.3
82.07378	1.1
83.08606	10.3
85.52933	0.6
86.14304	0.7
90.95322	0.8
91.05473	11.9
93.07033	26.1
95.04950	3.0
95.08593	87.9
96.08911	1.1
97.10159	6.5
101.11391	0.7
105.07019	30.3
107.08580	44.1
108.08829	0.8
109.06538	1.3
109.10143	58.0
110.10466	0.9
111.11716	3.6
117.06998	3.1
119.08566	36.9
121.10134	34.7
123.11691	26.2
123.12455	0.5
123.12617	0.8
125.13250	1.0
129.06989	1.6
131.08539	10.2
133.10114	33.1
134.10478	0.8
135.11678	24.9
137.13240	21.2
142.07773	1.1
143.08521	5.3
145.10097	14.0
146.10757	0.9
147.11664	23.7
148.11914	0.8
149.07387	1.1
149.13223	15.4
151.14796	3.6
156.09329	1.2
157.10094	7.4
158.10884	1.3
159.11673	18.7
160.12308	1.1
161.09526	1.0
161.13225	19.1
162.67752	0.7
163.14795	14.8
165.16365	1.4
169.10130	1.8
171.11685	6.2
172.12482	0.7
173.13240	13.0
175.14821	12.9
177.16367	15.6
179.17950	3.3
183.11729	1.6
184.12318	0.8
185.13223	5.4
186.13954	1.5
187.14795	12.3
189.16360	21.2
191.17924	16.5
193.19415	0.8
197.13220	1.2
199.14758	5.1
201.16351	18.4
202.16765	1.1
203.17934	28.1
205.19524	6.0
211.14746	1.1
213.16377	5.9
215.17952	12.4
217.19484	21.0
219.21010	2.0
225.16345	1.7
227.17854	6.7
229.19466	12.5
230.19812	1.2
231.21066	7.0
241.19482	4.2
242.19920	0.9
243.21025	9.8
245.22629	2.9
255.21034	12.8
256.21378	1.3
257.22607	11.2
269.22614	14.5
271.24188	4.1
283.24191	6.0
295.24197	1.2
295.97501	0.7
297.25757	2.9
309.25571	0.8
311.27350	1.5
315.19644	1.2
323.27258	1.3
337.28784	2.2
351.30484	1.1
365.32034	1.4
389.22128	1.1
407.15036	1.3
407.36682	100.0
408.37186	6.1
420.72348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03917	1.0
55.05278	1.0
55.05503	14.2
57.07073	7.4
65.03939	1.4
67.05495	28.0
69.07056	24.9
69.33865	1.9
69.34266	9.0
70.06538	1.4
71.08618	1.4
79.05481	12.8
81.07045	62.7
82.07374	1.6
83.08606	12.9
89.03881	0.9
91.05459	15.9
93.07031	27.3
95.04922	4.2
95.08590	100.0
96.08913	1.9
97.06532	1.0
97.10162	7.1
103.05492	1.0
103.52806	0.8
105.07018	32.8
107.04897	1.0
107.08578	42.8
109.06485	1.8
109.10138	64.1
110.10481	1.2
111.11694	3.7
117.03375	1.4
117.07011	5.3
119.08564	40.7
119.82018	0.8
120.19746	0.8
121.06527	1.7
121.10122	34.9
123.04509	0.8
123.08017	1.4
123.11684	31.7
125.13233	1.2
128.06233	1.0
129.06996	3.2
130.07854	0.8
131.08549	12.0
133.10109	40.8
134.10478	0.8
135.11674	22.6
136.11998	1.2
137.05968	1.0
137.12244	1.4
137.13232	18.7
138.13605	1.1
139.71680	0.9
142.07718	1.1
143.08549	5.2
144.09282	1.4
145.02843	2.8
145.10112	18.6
147.11659	25.5
148.12207	1.0
149.13228	16.3
151.14774	4.3
155.08481	1.7
157.10126	7.5
158.10880	1.9
159.11665	22.7
160.12395	1.9
161.13231	22.9
163.07498	1.1
163.14799	15.4
169.10124	1.8
169.91014	0.8
171.11658	7.3
172.12390	1.0
173.13235	14.7
174.13760	1.2
175.14781	13.1
177.05443	2.4
177.16371	16.1
179.17946	2.8
183.11687	1.7
184.12444	0.9
185.13211	5.3
186.13968	1.3
187.14803	11.4
188.15422	0.9
189.09055	0.9
189.16360	21.6
191.17918	18.4
195.07993	1.1
197.13190	1.7
199.14799	7.1
201.16359	16.7
203.17931	26.7
205.19496	6.7
209.35426	0.8
211.14850	1.4
213.16344	5.6
215.17921	12.6
217.19501	23.4
219.21069	1.7
225.16214	1.3
227.17912	5.5
229.19470	16.6
230.54305	1.0
231.21063	8.8
241.19467	6.4
243.21083	9.2
245.22655	3.2
255.21022	15.0
257.08093	1.0
257.22592	12.7
269.22598	13.1
271.24216	3.3
281.22607	1.0
282.11029	1.8
283.24100	5.0
285.25793	1.4
297.25598	4.9
309.25793	1.5
311.27350	3.1
313.28650	1.0
315.19559	2.5
323.27344	2.3
337.28815	2.1
351.30518	2.2
365.32141	1.5
407.25168	6.2
407.36676	93.0
408.36929	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	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.05508	12.0
57.07054	4.2
61.90014	1.3
65.03910	1.5
67.05495	27.3
69.06696	2.1
69.07061	28.1
69.24616	1.3
69.86118	7.9
71.08620	1.5
79.05484	12.7
81.07046	59.5
83.08605	12.9
89.03899	2.4
91.05470	13.8
93.06503	2.5
93.07034	28.8
95.04961	2.7
95.08595	94.2
97.06487	1.3
97.10154	8.6
105.07011	33.1
107.08581	45.2
109.10142	70.2
110.10477	1.3
111.11713	4.5
115.05432	1.3
117.03355	4.3
117.07002	4.4
119.08564	38.8
121.10129	41.7
122.10417	1.5
123.08004	1.4
123.11692	32.0
128.06215	2.0
129.01859	1.7
129.06972	3.0
131.08551	8.6
133.10109	39.6
135.11668	28.1
137.13251	18.6
143.08540	5.9
145.02792	8.2
145.10110	17.1
146.01903	1.4
147.11676	28.5
149.05949	2.5
149.13217	20.6
151.14812	3.1
155.08542	1.3
157.10112	7.1
159.11681	18.5
161.13243	23.8
163.14803	14.5
171.11647	8.4
173.13216	15.1
175.14789	14.4
177.05435	12.4
177.16345	17.1
179.17937	2.5
185.13245	6.6
186.14076	2.2
187.07587	1.5
187.14806	10.7
189.16360	22.1
191.17935	20.2
197.13194	2.1
199.07524	1.8
199.14832	4.3
201.16380	18.0
203.17952	31.2
205.19508	8.0
213.16367	4.9
215.07089	2.9
215.17889	12.9
217.08507	2.4
217.19492	25.7
219.21011	1.8
227.17966	6.8
229.19472	17.4
231.21028	10.0
233.08043	1.7
239.18056	1.7
241.19554	5.8
243.06425	1.5
243.21091	8.4
245.22691	3.6
255.21013	14.2
257.08078	2.5
257.22659	13.0
261.07632	1.5
269.22531	15.1
271.24182	6.0
271.26816	1.5
280.04703	1.4
283.24112	5.7
285.07571	2.3
297.25742	4.2
311.27353	3.4
323.27353	2.3
337.28705	3.4
351.30096	1.8
407.24298	11.9
407.36694	100.0
408.36932	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	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	1.5
55.05502	14.4
57.07072	7.0
65.03931	1.6
67.05494	25.9
69.07056	26.1
70.26032	4.3
70.26451	2.7
71.08624	1.7
77.03821	1.3
79.05489	16.8
81.07045	58.2
83.08604	12.7
91.05463	18.6
93.06438	2.0
93.07029	37.6
95.08593	100.0
96.08912	1.3
97.10147	6.8
103.05424	1.2
105.07015	50.5
107.08577	68.3
109.06549	2.1
109.10140	68.3
111.11701	3.5
114.17799	1.2
117.07021	3.6
119.08565	67.4
121.10128	58.6
122.10477	1.3
123.11690	35.6
131.08582	10.8
133.10112	62.1
135.11676	48.8
137.13235	17.7
143.08557	5.3
145.10104	16.4
147.11665	44.0
147.12868	1.9
149.13232	23.1
151.14775	3.0
156.09213	1.6
157.10094	4.8
159.11688	18.4
160.12340	1.5
161.13235	42.5
162.56514	1.3
163.14819	13.5
171.11662	4.1
173.13228	14.6
175.14799	22.2
177.16359	19.8
179.17963	1.9
185.13260	3.8
187.14789	12.0
189.16365	24.6
191.17917	24.9
197.13461	1.3
199.14772	6.5
201.16328	21.9
203.17943	32.4
205.19449	5.1
213.16333	6.4
215.17900	12.5
217.19487	61.2
227.17934	3.6
228.18709	2.0
229.19496	12.4
231.21082	7.1
241.19453	3.7
243.21046	4.7
245.22754	2.4
255.21187	7.9
257.22647	8.1
259.24219	1.4
269.22598	11.4
271.24045	3.5
283.24188	3.9
285.25684	1.9
297.25681	2.3
316.75848	1.4
323.27234	1.3
407.24039	10.8
407.36673	97.0
407.77161	1.5
408.36838	6.6
415.83865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05507	11.2
56.97553	1.6
57.07056	5.3
65.03933	1.8
67.05495	22.7
69.07057	20.0
79.05481	11.9
81.07046	49.7
83.08617	9.9
91.05460	11.0
93.07029	24.0
95.04978	3.1
95.08595	81.7
97.10144	6.6
104.13118	1.5
105.07016	30.6
107.08584	40.0
109.10143	51.2
111.11702	2.9
117.07011	3.0
119.08567	34.5
121.10134	37.9
123.11688	29.0
129.07002	2.4
131.08505	8.2
133.10120	31.3
135.11678	20.3
137.13254	18.5
143.08563	4.3
145.10121	15.1
147.11642	23.6
149.13210	17.4
149.14108	1.6
151.14809	1.9
157.10080	5.1
159.11647	15.8
160.12274	1.6
161.13231	20.7
163.14822	15.7
163.90605	1.6
171.11641	3.8
173.13231	9.5
175.14771	9.2
177.16335	17.9
185.13254	5.7
187.14783	9.9
189.16351	15.5
191.17950	15.1
197.13272	2.4
199.14813	4.4
201.16360	18.8
203.17932	28.9
205.19498	7.9
213.16365	3.7
215.17912	12.1
217.19481	15.5
222.29698	1.7
224.45831	1.8
227.17854	4.7
229.19499	11.4
231.21066	8.1
241.19508	4.2
243.21063	6.9
245.22804	1.7
248.28720	1.7
255.21004	9.8
257.22598	11.4
269.22531	11.0
271.24170	4.0
283.24210	4.5
297.25766	5.9
309.25809	2.5
311.27435	1.9
323.27289	2.1
351.30719	1.8
365.32092	2.3
369.23425	2.0
371.48032	1.7
407.36688	100.0
408.36945	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03911	2.7
55.01866	1.6
55.05503	13.0
57.03419	1.6
57.07068	6.4
58.79211	1.2
65.03905	1.5
67.05140	1.7
67.05493	25.1
68.99776	2.5
69.03430	1.9
69.07055	30.2
69.85146	7.0
70.06573	1.1
71.01337	1.4
71.08615	1.7
79.05473	13.6
81.03409	1.8
81.07044	48.2
83.08607	10.6
89.03897	2.4
91.05458	9.0
93.07031	29.7
93.74290	1.1
95.04952	3.5
95.08594	83.0
96.08930	1.9
97.10164	7.5
98.20770	1.7
105.07015	28.8
106.07304	1.3
107.08580	41.0
109.06451	1.2
109.10142	55.3
110.10468	1.3
111.11703	5.3
115.05376	1.7
117.03391	5.7
117.07009	4.3
119.08566	36.2
120.08944	1.3
121.10128	32.3
123.11693	28.1
125.09635	2.3
129.01804	2.9
129.07010	3.4
131.08562	10.1
133.10114	32.1
135.11665	21.6
136.12033	1.8
137.05962	1.4
137.13235	16.0
142.07814	2.3
143.08528	6.0
145.02802	13.2
145.06477	1.3
145.10112	16.8
147.11659	24.6
149.05977	2.6
149.13234	17.6
151.14818	1.3
157.06470	2.5
157.10109	5.5
158.10884	1.2
159.11670	20.5
161.13242	21.6
162.13670	1.5
163.14789	15.3
171.11702	6.9
172.12479	1.9
173.13235	9.8
175.14787	13.9
177.05441	20.7
177.16350	14.5
178.05772	1.9
179.17931	3.1
185.13248	5.1
187.07562	1.5
187.14809	10.4
189.05426	1.9
189.16331	19.6
191.17938	14.3
197.05980	1.5
197.13361	2.1
199.14839	4.7
201.16350	17.0
203.17934	24.7
205.19551	4.8
211.14839	1.7
213.16380	5.0
215.07019	2.6
215.17932	13.5
217.08492	2.1
217.19470	19.5
225.16216	1.3
227.17903	6.1
229.19446	11.1
231.20993	9.1
233.08150	1.8
239.17914	1.9
241.19493	6.1
243.06381	2.9
243.21091	6.8
245.22749	2.0
255.21033	11.0
257.08032	2.1
257.22601	9.1
261.07617	3.5
269.22650	10.6
271.24268	4.2
283.24115	5.9
297.25803	2.5
311.27344	2.1
323.27432	1.7
347.60507	1.3
351.30383	1.5
365.31882	1.7
407.15582	2.8
407.36670	100.0
408.36884	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	407.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	38.9
67.05500	69.2
67.21790	5.9
69.07060	40.7
71.04990	7.7
71.58294	7.4
71.69107	6.4
72.03859	6.7
79.05486	54.5
81.03400	10.5
81.07055	65.2
81.78199	7.0
83.05009	6.2
83.08591	19.2
91.05472	83.9
93.07042	49.5
94.36426	6.3
95.04941	18.0
95.08601	77.7
97.06519	8.0
97.10161	9.1
105.07022	100.0
107.08573	58.4
109.06509	11.4
109.10161	44.4
111.08052	6.9
114.36974	6.9
117.06993	25.1
119.08564	73.1
121.06525	9.7
121.10099	33.1
123.07992	8.9
123.11688	18.5
128.06282	6.7
129.06999	15.7
131.08553	63.4
133.06561	6.6
133.10106	47.1
135.08063	8.8
135.11644	25.0
137.13187	8.9
141.07007	10.8
143.08568	24.5
145.10114	54.5
147.08011	6.7
147.11670	24.4
151.07494	11.0
155.08524	13.8
157.10136	18.6
159.11658	21.4
161.09673	10.4
161.13223	9.6
163.14803	9.4
169.10167	17.9
171.11710	15.5
173.13202	13.3
177.16385	8.7
183.11589	11.1
185.13202	11.7
187.14764	10.7
191.17914	12.8
197.13345	8.2
199.14822	7.9
201.12715	8.3
201.16370	18.2
203.17885	13.9
209.13257	8.6
217.19505	7.8
229.19519	6.9
241.19586	7.0
243.21106	7.3
255.21001	9.5
255.63763	6.9
325.24966	6.9
343.26202	10.4
353.24677	29.9
371.25690	52.6
389.26852	96.8
407.25647	32.2
407.37064	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.34754	1.6
55.05506	12.6
57.07058	4.9
67.05486	18.7
69.07060	21.8
71.16387	3.8
72.61609	1.8
76.70392	1.8
79.05486	11.4
81.07046	50.9
81.70786	1.7
83.08603	8.9
91.05470	9.3
93.07034	26.1
95.04929	2.3
95.08594	82.8
97.10146	8.4
105.07008	29.3
107.08584	38.1
108.56026	2.1
109.09422	2.8
109.10145	49.6
111.11655	2.4
117.06992	4.3
119.08559	36.4
121.10137	32.6
123.11696	26.0
128.06223	2.0
131.08556	6.5
133.09180	2.9
133.10118	32.8
135.11653	20.3
137.13243	17.3
143.08525	3.7
145.10103	14.4
147.11681	22.3
149.13239	16.6
151.14796	2.8
157.10043	3.8
158.10847	2.5
159.11650	17.9
161.13235	23.1
163.14821	12.5
171.11674	5.7
173.13260	7.9
175.14818	10.7
177.16376	16.9
185.13208	5.3
186.13896	2.2
187.14790	12.8
189.16350	18.4
191.17921	17.3
199.14783	4.8
201.16354	20.7
203.17923	27.9
205.19495	5.5
213.16377	3.4
215.17950	12.8
217.19507	23.3
219.21092	3.0
227.17931	6.3
229.19478	10.5
231.21101	5.7
241.19542	4.1
243.21106	5.8
245.22623	2.5
255.21034	10.5
257.22614	9.4
269.22617	11.4
271.24222	5.1
283.24100	5.1
297.25766	4.7
407.36667	100.0
408.37045	9.4
433.68582	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	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01874	1.6
55.05283	1.4
55.05505	15.5
55.86128	1.2
57.07050	5.8
61.02911	1.3
67.05491	22.9
68.99757	2.7
69.03410	2.2
69.06700	1.6
69.07057	23.7
70.85387	2.6
70.85731	1.9
79.05476	10.2
79.72215	1.4
81.03371	2.0
81.07042	47.5
83.04965	1.4
83.08601	11.3
85.02885	2.1
89.03913	1.8
91.05461	13.3
93.07029	25.7
95.04928	3.2
95.08589	79.5
96.08917	1.8
97.10158	5.7
105.07017	29.0
107.08578	39.4
108.71349	1.1
109.02875	1.4
109.10138	52.9
111.11703	4.2
115.05467	2.2
117.03345	4.9
117.06992	4.0
119.08556	33.7
121.10120	33.4
123.11693	26.3
125.09558	2.1
129.06981	3.4
131.04892	2.2
131.08539	9.2
133.10112	35.8
134.10445	1.8
135.11678	22.2
136.11949	1.3
137.05911	2.7
137.13234	16.2
143.08531	5.4
144.09323	1.6
145.02811	13.6
145.10118	14.9
147.11650	22.0
149.05986	1.8
149.13252	15.5
151.14812	1.9
154.21056	1.2
154.27762	1.2
155.08540	1.3
156.09286	1.6
157.10118	5.3
158.10851	1.7
159.11665	18.7
160.12389	1.7
161.05862	1.4
161.13240	21.3
162.13521	1.5
163.14792	14.8
165.16357	1.6
169.10063	1.5
171.11664	6.9
172.12355	1.5
173.13242	12.8
175.14766	13.5
177.05434	16.8
177.16370	15.5
179.17937	2.7
185.13229	5.2
187.07549	1.8
187.14792	11.1
189.16341	16.3
191.17905	14.9
199.14824	3.9
201.16316	17.5
203.17938	27.2
205.19478	5.4
211.14885	2.2
213.16299	6.1
215.06982	4.6
215.17888	12.5
217.19502	17.5
225.16412	1.6
227.17958	4.2
229.19507	11.3
231.21005	8.7
233.08080	1.7
241.19537	6.2
243.06535	2.5
243.20999	8.2
245.22621	3.0
255.20990	10.8
256.21527	1.5
257.07986	2.2
257.22614	7.5
261.07578	3.4
267.20963	1.6
269.22607	9.9
271.24283	4.5
283.24240	4.8
285.10349	1.8
285.25833	1.6
297.25739	3.6
303.08569	1.7
311.27274	2.0
323.27411	2.7
337.28955	1.6
365.32129	2.2
407.15048	3.4
407.36658	100.0
408.36862	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.05506	38.9
67.05500	69.2
67.21790	5.9
69.07060	40.7
71.04990	7.7
71.58294	7.4
71.69107	6.4
72.03859	6.7
79.05486	54.5
81.03400	10.5
81.07055	65.2
81.78199	7.0
83.05009	6.2
83.08591	19.2
91.05472	83.9
93.07042	49.5
94.36426	6.3
95.04941	18.0
95.08601	77.7
97.06519	8.0
97.10161	9.1
105.07022	100.0
107.08573	58.4
109.06509	11.4
109.10161	44.4
111.08052	6.9
114.36974	6.9
117.06993	25.1
119.08564	73.1
121.06525	9.7
121.10099	33.1
123.07992	8.9
123.11688	18.5
128.06282	6.7
129.06999	15.7
131.08553	63.4
133.06561	6.6
133.10106	47.1
135.08063	8.8
135.11644	25.0
137.13187	8.9
141.07007	10.8
143.08568	24.5
145.10114	54.5
147.08011	6.7
147.11670	24.4
151.07494	11.0
155.08524	13.8
157.10136	18.6
159.11658	21.4
161.09673	10.4
161.13223	9.6
163.14803	9.4
169.10167	17.9
171.11710	15.5
173.13202	13.3
177.16385	8.7
183.11589	11.1
185.13202	11.7
187.14764	10.7
191.17914	12.8
197.13345	8.2
199.14822	7.9
201.12715	8.3
201.16370	18.2
203.17885	13.9
209.13257	8.6
217.19505	7.8
229.19519	6.9
241.19586	7.0
243.21106	7.3
255.21001	9.5
255.63763	6.9
325.24966	6.9
343.26202	10.4
353.24677	29.9
371.25690	52.6
389.26852	96.8
407.25647	32.2
407.37064	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01849	0.4
57.03436	2.4
61.02902	1.3
62.06081	0.8
67.44392	0.3
69.03418	4.8
69.96983	1.7
70.06555	1.0
71.01315	0.7
71.04969	0.6
73.02929	0.7
75.04474	0.3
81.03416	0.7
81.07062	0.4
81.56031	0.3
83.04958	0.7
84.04470	0.5
85.02881	0.7
91.05479	0.6
95.04959	0.5
99.04427	1.0
111.04433	0.8
117.03338	0.6
120.08052	0.5
121.02837	0.3
121.06522	0.4
126.50757	0.3
128.05003	0.4
131.04889	0.5
132.08092	0.8
137.05951	1.2
139.03882	0.7
145.02798	0.7
146.08449	0.4
147.09148	1.8
149.00511	0.3
149.06015	0.5
157.07574	0.5
159.09152	9.2
164.06998	0.4
167.07022	0.3
171.07954	0.5
172.08647	1.8
174.10243	7.0
175.08665	1.5
175.10487	0.3
177.05420	1.7
184.04018	0.4
184.08620	2.6
185.07094	5.6
185.09387	0.5
186.10199	1.7
187.08641	19.1
188.08897	0.5
202.09671	0.3
203.08199	0.5
212.08159	4.1
223.07552	0.4
225.09114	0.4
230.09209	16.8
231.07568	1.5
231.09607	0.4
234.07489	0.4
255.08763	0.4
256.07144	6.7
257.04462	0.4
260.11267	0.7
261.05249	0.3
263.13947	0.3
269.08099	0.9
273.09787	28.5
274.10123	1.0
287.05707	0.3
290.05606	0.4
301.05197	0.3
321.14398	9.6
322.14893	0.4
346.13821	0.5
364.14917	5.1
379.08374	0.5
389.14145	0.4
390.12820	1.1
407.15527	100.0
408.07715	0.3
408.15918	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	407.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
57.03424	4.6
57.07067	7.2
67.05500	2.8
69.07063	1.6
71.04897	0.4
71.08624	4.2
71.13467	1.0
77.35520	0.3
81.07043	3.3
83.08596	1.4
85.10161	2.3
93.06993	0.5
95.08596	4.1
97.10165	0.9
109.10154	1.8
113.00000	100.0
123.11691	0.8
131.01021	1.0
139.01521	0.8
169.02589	93.9
170.02971	0.8
265.36401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57572	1.4
55.01835	1.9
55.05477	1.3
57.03414	1.7
67.05502	2.1
69.03406	3.2
69.07043	2.3
70.06588	8.6
71.04971	2.6
71.62397	2.2
72.08144	1.8
79.05484	3.3
81.03379	2.1
81.07035	1.6
82.06573	3.3
83.04948	2.4
84.04482	1.5
84.08109	4.7
85.02885	3.8
85.06520	1.3
86.09704	3.5
91.05458	1.9
93.07029	3.0
95.04956	7.8
95.08565	2.3
97.02860	5.8
97.06512	2.4
97.10105	1.1
98.97556	2.1
99.04444	1.7
105.07016	2.9
107.08633	1.4
108.04452	2.3
108.28700	1.3
109.02850	3.9
111.04468	1.6
116.98602	1.9
119.08566	2.5
120.04443	5.5
120.08073	2.2
121.02890	2.1
121.06486	2.9
121.10117	2.1
123.04416	1.9
124.03909	4.9
127.03899	2.3
128.07076	1.9
129.10219	3.6
131.08539	3.3
133.10091	2.2
133.89920	1.4
137.02249	1.7
137.05882	2.8
138.05463	5.3
139.03844	1.5
140.37000	1.3
141.05431	2.9
143.08508	1.7
143.93112	1.5
145.10139	1.4
146.10428	1.4
147.04382	2.7
151.03897	2.9
152.06970	2.5
154.04951	2.9
158.33530	1.3
159.08008	1.5
160.52344	1.5
161.05949	2.8
162.05464	1.8
165.09048	1.7
167.07059	4.8
173.13326	1.3
178.04984	7.8
185.13010	1.6
188.03391	8.1
188.94476	1.4
196.06067	6.5
199.08817	1.7
206.04387	3.3
213.10139	1.7
214.08566	3.1
216.17879	1.4
217.09998	1.3
223.08684	4.6
227.08151	11.7
229.09763	2.1
237.10223	10.8
238.10936	2.0
239.11761	3.5
240.08965	1.6
241.09773	11.7
245.09085	3.8
250.07190	1.4
251.08144	13.1
252.08641	2.4
253.09665	2.0
254.08031	1.6
255.07509	8.1
255.11414	2.9
257.12930	2.7
265.09689	13.4
266.10519	2.2
267.07712	1.7
267.11279	3.9
269.09186	42.5
271.10779	1.5
273.08685	13.5
279.07611	18.7
283.10739	7.3
284.08972	2.5
285.12262	2.9
287.10156	3.0
293.09180	20.6
295.10675	2.4
297.08673	54.6
298.08920	2.8
311.10202	10.5
313.11768	4.9
314.09924	2.0
315.09729	23.4
315.13196	3.4
316.10272	2.0
317.13696	1.8
321.08701	13.6
325.11658	7.9
329.11356	5.0
333.10715	22.9
339.09726	40.4
340.09998	2.2
343.12793	13.2
357.10739	12.4
358.09024	1.9
371.12274	20.5
375.11151	2.9
389.13351	100.0
390.13763	7.2
397.22464	1.7
407.07465	7.3
407.13376	19.0
407.18146	2.3
408.12799	3.1
411.59259	1.4
427.16483	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	406.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.3
55.05502	3.2
56.05032	9.7
57.03421	8.6
57.07059	4.5
58.99582	8.0
65.03920	3.6
67.05496	17.7
67.55540	3.5
69.03410	5.8
69.07069	7.6
70.06587	7.9
71.04983	12.6
76.02228	18.4
79.05466	19.0
81.03392	4.9
81.07056	21.6
82.67895	3.4
83.04964	7.9
83.06077	3.4
84.04489	26.6
84.08125	7.8
85.02911	21.3
85.06528	74.2
86.00654	3.8
86.99059	7.9
87.02676	7.3
88.05549	3.6
91.05477	14.7
93.07024	10.5
93.26030	3.2
95.04942	3.8
95.08569	4.7
97.02869	9.9
98.09695	6.6
99.08089	11.6
102.05544	6.0
105.07018	12.2
107.04967	4.1
107.08604	13.3
108.10947	3.9
109.02868	3.9
111.04440	10.4
112.03908	4.1
113.04214	6.1
116.01653	26.5
119.08580	11.8
120.08076	5.3
121.06468	5.8
121.10115	16.3
125.06019	4.1
130.04979	9.6
131.08553	52.7
132.08902	4.8
135.11694	4.7
137.05945	4.0
137.09583	6.9
139.03857	6.9
143.07069	4.7
144.01143	8.2
145.10091	21.1
147.08022	5.6
149.09586	45.0
156.08417	19.3
156.10132	9.5
157.06787	9.6
162.02126	23.4
163.11156	17.3
165.09093	5.7
166.61143	3.7
167.10652	26.8
173.09596	7.1
174.09514	7.7
179.04883	8.6
191.10632	46.5
209.11717	63.7
216.06831	7.9
218.05579	3.6
227.12766	100.0
259.11081	92.5
260.11398	5.7
323.17276	3.7
325.03391	4.6
331.13138	5.2
357.06165	6.7
406.16876	8.7
407.17178	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	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58815	5.4
55.01873	7.4
55.05500	21.8
57.03422	13.4
61.02917	6.4
62.18939	5.7
62.81827	5.7
67.05502	16.7
69.03418	23.0
69.07054	20.4
69.44594	6.8
70.06581	67.7
71.04981	11.2
71.58077	8.6
72.52943	5.5
79.05468	11.5
81.03411	20.8
81.07056	37.7
82.06571	7.0
83.04969	25.9
83.08614	16.3
84.08118	13.2
85.02897	42.5
85.06535	6.8
86.06082	8.5
86.09672	9.0
88.62815	6.2
91.03948	6.8
91.05463	14.8
93.07033	30.2
95.04963	21.1
95.08620	21.9
96.08138	6.8
97.02896	20.2
97.06510	23.5
97.79299	6.0
105.07011	32.9
107.04967	9.4
107.08596	35.1
109.02883	12.1
109.06500	43.6
109.10136	37.9
111.04451	10.0
113.05965	6.3
117.06963	8.8
119.08574	32.2
121.02855	16.6
121.10159	39.5
122.09644	8.4
123.08073	11.1
125.05956	10.2
125.09621	14.2
127.03906	16.2
131.08562	18.8
133.10123	56.5
135.08025	6.7
135.11673	5.7
137.02322	21.9
139.03836	7.4
141.05408	6.1
143.06985	7.4
143.08540	7.3
144.06529	7.4
145.04965	10.0
145.10172	15.8
147.04396	7.8
147.11681	27.1
149.13258	18.7
151.11166	23.8
153.09070	16.8
156.07664	8.9
163.14813	9.7
167.07024	26.9
167.14319	19.2
173.09531	7.0
173.13298	33.9
175.14784	42.0
181.15793	8.0
181.52673	6.3
191.14244	42.1
193.15855	16.1
209.15326	100.0
224.13745	5.2
226.18068	16.4
227.16406	16.1
244.09549	14.9
254.04788	11.8
259.11169	6.3
388.18472	8.7
388.23315	20.3
406.19696	11.7
407.13141	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57572	1.4
55.01835	1.9
55.05477	1.3
57.03414	1.7
67.05502	2.1
69.03406	3.2
69.07043	2.3
70.06588	8.6
71.04971	2.6
71.62397	2.2
72.08144	1.8
79.05484	3.3
81.03379	2.1
81.07035	1.6
82.06573	3.3
83.04948	2.4
84.04482	1.5
84.08109	4.7
85.02885	3.8
85.06520	1.3
86.09704	3.5
91.05458	1.9
93.07029	3.0
95.04956	7.8
95.08565	2.3
97.02860	5.8
97.06512	2.4
97.10105	1.1
98.97556	2.1
99.04444	1.7
105.07016	2.9
107.08633	1.4
108.04452	2.3
108.28700	1.3
109.02850	3.9
111.04468	1.6
116.98602	1.9
119.08566	2.5
120.04443	5.5
120.08073	2.2
121.02890	2.1
121.06486	2.9
121.10117	2.1
123.04416	1.9
124.03909	4.9
127.03899	2.3
128.07076	1.9
129.10219	3.6
131.08539	3.3
133.10091	2.2
133.89920	1.4
137.02249	1.7
137.05882	2.8
138.05463	5.3
139.03844	1.5
140.37000	1.3
141.05431	2.9
143.08508	1.7
143.93112	1.5
145.10139	1.4
146.10428	1.4
147.04382	2.7
151.03897	2.9
152.06970	2.5
154.04951	2.9
158.33530	1.3
159.08008	1.5
160.52344	1.5
161.05949	2.8
162.05464	1.8
165.09048	1.7
167.07059	4.8
173.13326	1.3
178.04984	7.8
185.13010	1.6
188.03391	8.1
188.94476	1.4
196.06067	6.5
199.08817	1.7
206.04387	3.3
213.10139	1.7
214.08566	3.1
216.17879	1.4
217.09998	1.3
223.08684	4.6
227.08151	11.7
229.09763	2.1
237.10223	10.8
238.10936	2.0
239.11761	3.5
240.08965	1.6
241.09773	11.7
245.09085	3.8
250.07190	1.4
251.08144	13.1
252.08641	2.4
253.09665	2.0
254.08031	1.6
255.07509	8.1
255.11414	2.9
257.12930	2.7
265.09689	13.4
266.10519	2.2
267.07712	1.7
267.11279	3.9
269.09186	42.5
271.10779	1.5
273.08685	13.5
279.07611	18.7
283.10739	7.3
284.08972	2.5
285.12262	2.9
287.10156	3.0
293.09180	20.6
295.10675	2.4
297.08673	54.6
298.08920	2.8
311.10202	10.5
313.11768	4.9
314.09924	2.0
315.09729	23.4
315.13196	3.4
316.10272	2.0
317.13696	1.8
321.08701	13.6
325.11658	7.9
329.11356	5.0
333.10715	22.9
339.09726	40.4
340.09998	2.2
343.12793	13.2
357.10739	12.4
358.09024	1.9
371.12274	20.5
375.11151	2.9
389.13351	100.0
390.13763	7.2
397.22464	1.7
407.07465	7.3
407.13376	19.0
407.18146	2.3
408.12799	3.1
411.59259	1.4
427.16483	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	406.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
68.99782	1.7
70.06581	0.4
70.89015	1.5
74.00655	0.4
79.05450	0.6
81.03400	5.0
85.02902	0.3
85.40707	0.4
91.05468	2.4
93.25337	0.4
96.02106	0.4
105.03381	0.4
107.04945	4.6
109.02869	1.1
111.00797	0.5
111.04392	0.5
119.04918	1.2
120.05739	0.7
127.03880	0.8
133.02817	3.3
135.02751	0.6
135.04404	15.5
136.04819	0.4
137.02319	100.0
138.02670	2.3
138.98459	1.5
139.02081	0.6
147.02631	1.6
147.04379	0.5
149.00569	1.7
150.06749	3.4
151.02080	0.8
151.03850	0.6
151.43489	0.4
153.03654	1.5
154.04977	1.0
155.03343	0.8
161.02335	5.7
163.02129	0.6
163.02342	0.6
163.03897	5.6
166.98059	0.7
167.01627	1.6
167.07056	0.7
173.00554	0.6
173.05890	0.6
175.02129	2.9
177.05431	0.8
179.01588	1.8
181.03157	8.9
184.05148	0.7
184.99077	0.8
187.02119	1.0
192.02341	0.7
194.03984	2.7
195.04666	0.5
197.05914	1.2
199.03886	2.7
200.04619	0.5
201.00066	2.3
201.03603	0.5
203.01447	0.5
204.02364	0.5
207.01096	3.9
207.04707	2.2
209.02562	2.1
213.05426	1.5
214.06242	4.3
215.01599	1.8
216.02377	0.6
217.03149	0.8
218.00294	5.6
219.04642	0.6
224.07446	0.7
229.03151	5.7
231.01155	0.5
232.01845	1.6
233.00319	0.9
233.02640	15.1
234.02979	0.8
241.04919	0.6
242.05679	0.9
242.08101	1.7
243.01060	0.9
243.06354	0.8
245.02626	8.4
247.04257	3.3
253.05290	5.8
256.01910	0.7
256.07309	0.6
257.02600	3.1
258.03448	1.6
259.00604	0.9
260.01349	4.0
261.05832	0.9
269.04391	0.8
270.07919	18.8
271.04037	0.6
271.08279	0.9
273.02008	0.9
275.00723	0.9
275.03693	16.2
276.04037	0.6
283.05908	0.5
284.01291	2.4
284.06625	0.7
285.02121	2.2
289.05255	1.4
296.06174	0.5
299.03653	1.7
302.02423	0.5
310.02795	0.6
317.04761	34.0
318.05118	2.1
325.05249	1.0
343.06274	6.5
358.09186	0.6
360.08923	6.1
371.05753	3.6
389.06909	12.7
390.07095	0.7
406.09464	9.6
407.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20937	0.7
55.01865	4.3
55.05490	2.7
56.05030	9.3
57.03423	5.1
58.99584	11.4
58.99868	0.7
67.05488	1.0
68.05003	1.5
69.07046	2.3
70.06561	1.1
70.87152	0.9
70.87518	2.4
72.08128	0.9
73.01105	1.6
74.00655	1.4
74.39298	0.7
76.01804	1.2
76.02223	20.9
76.03973	1.3
78.56464	0.7
79.05480	5.7
81.07042	20.4
82.05293	2.1
83.06097	1.6
84.04495	27.8
84.08121	2.1
85.01127	3.7
85.02879	1.6
85.06511	1.3
86.00640	5.7
86.06033	1.9
86.99039	7.0
87.02679	6.4
88.02198	1.6
91.05460	2.2
92.51066	0.8
93.07004	1.0
94.06509	1.0
94.62109	0.7
95.08609	4.1
97.01095	1.3
97.06506	2.4
98.06025	1.3
98.09680	13.3
98.97585	1.3
99.05530	1.1
99.08084	5.1
102.05544	5.4
104.40861	0.7
105.06989	2.3
107.04932	0.8
107.08586	1.7
108.08079	0.9
110.09666	2.5
112.03951	3.7
113.04206	5.3
114.03745	0.9
115.03881	1.0
115.05756	2.2
116.01665	21.7
121.06489	1.5
121.20469	0.7
122.09605	1.4
123.08063	1.6
125.05849	1.1
126.04233	1.2
127.05762	1.8
129.06558	3.1
130.04985	9.2
130.06877	4.6
130.08609	1.3
131.08549	5.9
139.05743	1.9
142.03174	2.5
143.02739	1.8
144.01129	8.9
145.06065	2.2
145.10086	0.9
147.04382	2.3
149.09607	3.3
151.78026	0.7
156.08391	20.9
156.10161	12.3
157.06815	8.6
162.02177	21.7
163.11058	0.8
171.45728	0.8
174.09460	13.8
179.04845	9.9
188.03749	0.9
189.03253	1.7
191.10666	1.9
191.18782	0.7
209.11705	7.4
210.11194	1.8
215.04987	0.9
216.06882	6.3
227.12766	1.5
231.02956	1.2
232.66907	0.7
233.05881	2.1
242.08333	1.2
245.05965	0.8
259.11081	100.0
260.09036	0.9
260.11639	3.9
285.12827	1.7
313.12131	4.8
331.13226	6.3
346.05569	1.4
362.21494	1.0
388.15384	0.8
388.23312	1.9
406.15796	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	5.1
55.05506	9.9
55.18695	0.5
57.03430	5.5
57.07073	3.9
57.07335	0.7
57.32550	0.5
67.05499	6.0
69.07064	11.1
69.41548	3.1
69.41963	1.8
71.08617	1.7
77.67797	0.4
79.05495	3.8
79.13573	0.5
81.07048	6.8
83.08610	9.7
91.05461	1.4
93.07032	3.8
95.08594	3.9
97.06511	1.5
97.10157	6.9
105.07014	1.0
107.08577	2.6
109.10164	1.7
111.08042	0.7
111.11723	1.9
113.00004	100.0
119.08584	0.5
121.10140	5.3
123.11667	1.1
125.09715	0.5
131.01056	0.7
135.11667	3.2
136.48822	0.6
137.13220	0.9
139.01566	0.8
149.13213	1.1
151.01505	0.6
154.02592	0.9
161.27356	0.5
163.14980	0.7
169.02597	84.9
170.03027	0.9
219.21101	1.3
237.22124	5.6
277.19495	0.5
337.63388	0.6
387.25644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.263
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02355	1.9
53.03934	7.5
55.01863	14.1
55.05502	36.0
57.03420	9.6
57.07082	6.0
61.02897	1.6
65.03921	7.1
67.05495	78.5
69.03419	28.9
69.07059	32.4
70.92398	2.6
71.01322	4.0
71.04984	11.8
73.02882	3.7
76.54700	1.4
77.03895	2.1
79.05482	66.3
81.03413	29.3
81.07044	81.3
83.04968	15.8
83.08606	14.0
85.02892	12.6
85.06516	5.2
87.04449	2.2
91.05469	75.0
93.07031	74.9
95.04957	17.7
95.08591	62.3
97.02879	12.1
97.06535	9.2
97.10149	9.2
99.04451	8.7
99.08056	2.3
101.06000	1.6
103.03918	1.4
103.05451	3.8
105.07014	81.2
107.04945	13.0
107.08576	46.4
107.09165	1.0
109.02850	6.3
109.06505	13.6
109.10141	26.2
110.86513	1.4
111.04423	13.4
111.08073	6.0
111.11655	1.8
113.02281	1.1
113.05987	1.6
115.05398	5.8
116.06246	1.5
117.07000	40.9
119.04925	2.2
119.08562	58.1
119.09420	2.8
120.08836	1.8
121.06489	11.2
121.10123	30.6
123.04391	6.2
123.08073	7.8
123.11679	8.7
125.05957	2.2
125.09600	3.6
127.03017	1.2
127.03889	4.8
127.07534	2.1
128.06203	6.1
129.05473	4.3
129.06978	24.7
130.07759	3.5
131.04868	2.9
131.08548	47.9
133.06500	10.4
133.10106	42.3
135.04482	1.7
135.08035	11.7
135.11678	23.0
137.05911	2.0
137.09590	3.8
137.13246	2.2
139.07472	1.4
139.11180	1.7
141.06979	9.8
142.07764	7.2
143.08539	25.8
144.09323	2.7
145.06451	8.6
145.10101	42.2
146.07239	1.3
146.10422	1.6
147.08043	11.8
147.11658	30.9
149.09598	9.9
149.13249	13.0
151.07480	3.3
151.11182	2.0
153.07002	2.1
153.09007	1.8
155.08539	12.0
156.09286	2.3
157.06476	4.9
157.10101	23.5
158.01514	1.2
159.08020	7.4
159.11662	39.0
160.12065	1.5
161.05972	1.5
161.09595	8.0
161.13225	15.1
163.07507	1.9
163.11162	4.3
163.14795	3.8
165.07011	1.8
165.09102	2.3
165.12720	1.7
167.08548	4.6
167.10648	1.5
168.09325	1.7
169.10077	14.8
170.07172	1.4
171.08044	5.9
171.11653	20.4
173.05939	1.3
173.09596	5.1
173.13242	24.5
175.07587	1.9
175.11119	7.0
175.14815	6.6
177.09016	2.0
177.12656	2.8
177.16391	2.2
179.08517	2.0
181.10052	7.5
183.07982	2.8
183.11691	10.2
185.09636	4.8
185.13199	12.1
187.07527	2.3
187.11115	8.1
187.14809	7.8
189.09033	1.7
189.12726	5.9
189.16322	1.4
191.10616	1.4
191.14276	2.8
193.10202	2.5
193.12082	2.2
193.16234	1.4
195.11674	4.9
195.13649	1.2
197.09641	2.4
197.13234	9.6
199.11189	2.9
199.14842	8.5
201.09081	1.9
201.12772	5.7
201.16341	3.0
203.10577	3.0
203.14302	2.2
205.12245	1.2
207.11761	2.4
209.13214	5.0
211.11292	3.0
211.14740	6.4
213.12695	4.8
213.16341	3.3
215.14284	4.4
217.12196	2.6
217.15851	1.4
221.13303	2.7
221.15292	2.5
223.14758	3.0
224.98586	1.2
225.12692	4.3
225.16350	2.5
227.14236	2.9
229.12132	2.2
229.15936	1.5
233.15393	1.4
235.14957	1.5
235.16992	1.6
239.14328	2.7
241.15857	1.9
241.19504	3.9
245.18962	1.3
249.16266	1.3
253.15857	1.8
255.20903	1.4
257.15244	2.4
257.19214	1.5
259.20511	6.8
261.22043	2.7
267.21027	2.7
271.20483	6.0
273.18768	1.2
273.22150	6.3
275.20148	3.0
275.23477	2.2
277.21579	7.1
279.23264	2.1
281.18829	1.3
283.20404	2.9
285.22092	5.9
287.20041	2.1
287.23663	2.1
289.21579	10.3
291.23184	5.7
297.21982	2.7
299.20114	1.8
299.23474	1.8
301.21564	15.9
303.23071	9.8
309.22058	1.8
313.18204	1.8
313.21457	5.7
315.23221	14.8
317.24728	3.1
319.22586	8.0
323.23602	3.0
327.23132	8.6
331.22525	6.5
341.24664	13.7
343.22641	1.6
345.24213	9.8
351.23041	15.1
357.24069	3.5
359.25674	4.5
361.23779	1.6
369.24191	56.5
377.26984	1.9
387.25217	43.6
388.25656	2.0
392.15448	1.4
405.26285	100.0
406.26663	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	406.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05484	0.3
68.99763	0.4
69.57317	2.9
70.06566	0.5
71.99073	0.4
81.03400	7.5
82.03754	0.3
91.05470	0.4
93.07033	0.6
95.08627	0.5
96.02078	0.4
101.09060	0.3
107.08562	0.8
109.02850	1.6
109.10147	0.8
111.57961	0.3
117.99576	1.5
121.01065	2.2
121.10135	0.5
124.03935	0.5
127.03897	0.7
137.02316	98.8
137.05835	2.1
137.09583	0.6
137.13249	0.5
138.02631	2.3
141.00026	0.8
148.02139	1.9
149.00540	13.9
149.13208	0.4
151.11116	0.3
152.08272	0.8
155.01538	0.4
162.03102	0.8
162.05487	1.6
163.14793	0.9
165.00000	1.4
166.00804	1.0
169.03197	1.0
175.01988	0.4
175.06319	0.4
176.01631	14.7
176.03151	0.7
176.07027	1.6
177.05437	3.5
179.07031	1.2
180.02368	3.0
180.06529	0.4
181.03165	2.0
191.14294	1.4
192.04823	1.6
193.01888	8.1
194.00269	1.3
194.02347	0.5
195.96083	0.3
207.04684	0.3
208.04248	36.5
209.02640	5.1
209.04549	1.0
209.15292	0.7
224.07368	0.3
239.02412	1.1
243.37280	0.4
250.05138	0.5
253.05460	0.5
254.04781	100.0
255.05081	3.9
260.01508	0.3
270.07959	3.1
275.03604	0.5
283.04260	0.5
287.08832	0.4
317.04712	1.1
342.69830	0.3
371.05884	0.6
406.09848	0.7
406.14612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.84235	0.7
55.01854	2.0
57.03421	7.3
61.02918	5.0
67.05486	1.0
68.99786	1.4
69.03418	14.2
70.29067	0.7
70.90621	2.2
71.04976	2.6
73.02904	2.4
75.04450	1.0
81.03401	9.9
84.08128	11.6
85.02892	44.8
86.09686	1.0
87.04456	2.1
91.03954	1.7
91.05450	1.0
95.04950	0.9
97.02877	12.3
98.03671	0.8
99.04420	3.3
103.03954	3.5
109.02863	19.9
111.00787	4.0
111.04395	0.8
115.03918	1.3
117.05491	2.1
118.06511	1.0
119.04932	0.8
123.04317	0.8
126.03103	11.8
127.03899	14.7
129.05437	1.1
130.08630	1.5
130.43362	0.8
136.07556	1.6
141.05441	40.0
145.04929	13.9
148.88147	0.7
154.02596	1.5
159.06622	1.2
163.06017	1.7
169.04936	100.0
170.05292	1.3
177.26036	0.7
211.06017	2.8
218.08345	0.7
236.10616	1.4
243.08531	0.7
246.07561	5.6
253.13168	1.1
260.09109	1.2
276.12247	8.6
299.13998	0.9
330.13290	1.7
341.14886	2.3
360.18057	6.0
405.20160	16.9
406.19864	0.8
410.25922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87633	5.0
54.43479	4.2
55.05499	4.9
57.30082	4.1
60.04525	4.8
62.54136	4.7
67.05508	4.9
69.03428	13.9
69.82026	33.7
70.06590	81.9
79.05463	5.8
81.03404	6.6
81.07039	22.5
84.08132	5.1
85.02898	96.1
86.09706	11.1
90.18532	4.3
91.05470	13.2
95.08585	6.6
97.02875	7.8
105.07006	11.8
109.10125	9.0
119.04976	9.3
119.08558	10.5
121.10156	10.5
123.11696	100.0
125.05981	6.0
131.04951	4.8
131.08607	4.4
137.05986	11.6
138.09183	6.1
147.04395	13.9
147.11656	12.4
156.10199	5.8
172.07608	10.0
175.03873	24.3
189.12784	14.1
192.04271	6.1
200.07140	9.2
207.06514	48.2
207.13788	57.0
225.07593	16.8
225.14864	12.8
230.11806	5.0
246.07616	26.3
257.09836	5.2
404.16977	14.6
405.11356	6.7
405.16141	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	403.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01858	0.9
55.05497	1.6
57.03431	1.1
58.12569	0.8
67.05482	1.0
69.03413	2.8
69.07064	1.4
70.06218	1.4
70.06582	22.0
71.06925	0.9
71.61922	1.3
71.62321	1.0
72.08144	16.6
75.63422	0.9
77.50762	0.8
79.05495	1.4
81.03390	1.3
82.06587	1.0
84.04488	1.6
84.08125	2.9
85.02885	4.2
86.09701	11.9
88.03961	1.7
90.33833	0.8
91.05454	1.9
93.07032	1.6
97.02876	2.0
105.07030	1.2
107.04935	1.1
107.08511	0.9
113.03471	2.1
116.07043	2.1
121.02824	1.4
121.06506	1.0
121.10158	1.2
124.03903	3.1
125.04291	0.9
127.03877	1.5
129.10178	1.1
131.08560	1.5
136.07538	1.2
137.02303	1.0
137.05927	3.3
141.10242	1.2
147.04343	1.5
151.03883	0.9
151.07545	1.2
154.79375	1.0
155.06989	1.4
161.71928	0.9
165.06981	1.7
167.06978	1.5
173.12724	0.8
175.10716	1.7
178.07721	1.2
179.07016	1.2
179.08527	12.0
181.04930	1.7
181.06410	1.0
183.08034	6.7
183.11366	1.0
189.06967	1.4
191.08519	1.4
193.06497	1.3
197.05806	1.1
201.12314	8.4
205.12154	1.7
207.08028	43.1
208.08450	1.1
209.09618	1.6
211.07530	5.7
217.06555	4.3
219.02921	0.9
221.05907	4.4
223.07542	2.7
223.13243	5.0
229.11824	6.9
235.07497	42.2
236.07727	1.5
237.09126	2.2
239.06996	22.4
241.08708	1.2
241.14548	1.1
241.36203	0.9
252.10168	100.0
253.10428	2.6
263.07047	3.4
280.09702	2.8
281.08069	17.2
294.07886	1.2
294.11194	25.5
297.12274	12.2
298.10690	30.7
315.13156	4.4
322.10724	6.4
339.09360	0.9
339.13400	3.9
340.11761	48.9
341.12204	1.5
343.12820	6.3
357.14481	8.5
361.13904	1.0
367.00629	1.0
367.12875	2.7
385.13718	5.2
403.15314	13.1
403.19669	1.5
404.17188	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	403.2474
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.39759	2.0
53.03933	6.6
55.01854	6.2
55.05496	17.7
56.07937	2.1
57.03417	2.7
57.07059	2.9
59.05005	2.6
61.31522	1.9
65.03921	4.8
67.05497	35.1
69.03406	6.7
69.07056	16.3
69.71035	13.2
70.76427	2.0
71.04974	5.7
79.05487	38.7
81.03397	17.7
81.07040	34.1
83.04972	6.3
83.08588	8.7
83.79474	2.0
85.02885	8.9
91.05471	45.1
93.07032	34.6
93.28256	1.9
95.04939	9.7
95.08584	29.2
96.03570	1.9
97.02859	4.9
97.05961	2.3
97.06509	13.3
97.10150	5.7
98.20725	2.0
99.04447	2.8
103.03899	2.7
103.05456	3.5
105.07017	44.5
107.04941	10.5
107.08575	20.4
109.02873	16.2
109.06506	6.2
109.10130	11.5
111.04412	6.3
111.08045	4.1
111.11750	2.1
115.05444	7.2
116.06244	2.2
117.06998	35.3
119.04904	2.2
119.08563	27.2
121.06474	9.3
121.10119	12.0
123.04414	4.0
123.08039	6.9
125.09592	4.9
127.03897	4.3
128.06169	9.4
129.06987	28.1
130.07774	3.3
131.04880	3.9
131.08556	43.9
133.06465	5.3
133.10120	20.6
135.08049	7.2
135.11659	8.3
137.06003	2.8
137.09596	3.4
141.06967	11.1
142.07735	6.3
143.08549	28.4
144.09317	3.4
145.06508	8.3
145.10112	29.3
147.04401	2.7
147.08040	4.7
147.11665	11.6
149.09641	5.6
149.13240	3.4
150.79820	2.0
153.06973	5.3
154.07768	2.3
155.08510	15.0
156.09268	3.4
157.06532	2.8
157.10062	20.1
159.08034	6.2
159.11684	25.0
161.05882	3.2
161.09677	4.1
161.13220	4.7
165.06979	3.5
167.08524	8.5
169.06471	2.2
169.10104	12.6
171.08047	3.9
171.11650	18.9
173.09564	5.7
173.13237	19.4
175.11188	3.8
175.14832	2.9
177.09102	2.8
179.08514	3.6
180.09241	3.0
181.08623	2.6
181.10056	5.0
183.08063	4.5
183.11621	10.4
185.09561	5.1
185.13206	12.3
187.11177	4.9
187.14818	6.2
189.12733	2.9
193.04941	3.8
193.10141	3.3
195.10040	3.1
195.11703	5.8
197.09561	3.8
197.13229	11.6
199.11174	4.6
199.14825	5.6
201.09091	2.6
201.12642	4.9
203.03448	2.6
203.10692	3.7
203.14267	3.0
209.13300	5.0
211.11285	3.7
211.14839	4.5
213.12830	3.4
215.14343	5.1
217.04839	2.5
223.11258	2.2
223.14822	4.8
225.12764	3.6
227.14267	2.1
229.04951	3.9
237.12823	2.4
237.16472	2.3
239.14406	2.7
243.13887	2.2
255.13882	2.0
257.15329	2.6
257.18976	2.2
269.15341	2.8
275.20044	4.7
283.20541	8.5
285.22147	4.0
299.19827	2.3
301.21640	4.1
313.21567	9.9
317.20953	3.2
321.22046	2.6
325.21509	2.1
329.21152	3.3
339.23145	8.3
341.13892	11.2
343.22562	19.3
344.22968	2.3
349.21463	6.2
355.22705	2.3
357.24289	4.9
367.22672	25.2
385.16367	8.8
385.23685	40.4
403.24725	100.0
403.33084	3.5
404.24936	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	403.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
53.25322	1.4
55.01847	3.1
55.05510	2.2
56.23413	1.3
57.03427	2.3
65.03912	1.2
66.84977	1.2
67.05486	3.9
69.07066	1.8
70.06641	1.5
71.60384	2.5
73.01454	1.2
78.04697	2.6
79.05476	7.9
81.03425	3.0
81.07025	4.2
84.08118	2.2
85.02886	1.7
85.06528	2.5
91.05466	6.2
93.07043	3.4
95.04957	3.8
95.08595	4.2
97.02895	4.0
97.06509	4.7
103.05444	4.0
105.03347	1.5
105.06984	3.2
106.04134	2.1
107.04922	6.6
107.08558	2.2
109.10120	2.0
115.05449	4.3
117.03432	1.5
117.06979	2.2
119.04937	3.1
119.08568	2.0
121.06507	2.0
121.10103	2.5
123.04394	8.4
123.08012	1.2
124.05216	3.3
129.06973	2.1
130.04132	1.5
131.04863	4.6
132.05708	1.6
133.06448	2.2
133.10059	2.8
135.04404	1.6
137.02400	1.7
137.05949	3.4
145.02892	2.4
145.06503	7.8
147.04404	4.2
147.07990	2.0
149.05946	2.7
151.03842	3.7
153.05447	5.5
157.06404	1.3
159.04333	3.8
160.05180	2.8
161.05952	4.5
164.97418	1.3
165.06952	2.1
167.03352	2.5
167.07021	100.0
168.07344	2.0
171.04367	1.7
173.05978	12.7
175.03818	1.7
175.07518	3.6
175.11060	2.1
177.05447	8.7
179.08455	1.9
181.04916	2.8
181.06480	3.6
185.05891	2.3
187.07518	2.4
188.04631	1.4
189.05400	4.6
191.03455	1.6
191.07030	2.7
193.04968	2.8
193.12207	1.9
194.07346	1.4
199.07535	2.1
201.05435	13.1
203.03174	1.5
203.06953	5.8
203.08679	1.8
205.04871	2.0
205.06544	2.1
207.06447	3.7
207.08072	4.1
209.05917	1.5
209.07968	2.6
211.07507	3.7
213.05461	5.4
215.07018	2.0
217.04861	3.2
219.06400	7.6
220.05138	3.4
223.07480	2.6
224.08278	1.4
225.09036	2.1
229.04906	13.2
231.06516	6.3
235.07507	6.4
236.07892	2.0
237.08968	2.0
239.06990	2.9
239.10620	1.9
243.06503	2.2
247.07516	3.0
251.06969	3.0
252.07762	2.9
253.08568	2.2
255.06500	4.7
263.06943	5.0
264.07571	2.2
264.45670	1.4
265.05063	2.6
266.05829	2.1
266.09213	1.5
267.10059	2.1
269.07797	1.6
277.12222	1.5
279.06311	3.9
280.07263	3.3
281.08157	2.2
285.51248	1.5
295.06552	1.5
295.09579	4.5
297.08020	1.8
307.05890	1.4
307.09473	2.5
308.06659	1.8
309.07440	1.4
313.10593	2.6
313.14166	2.0
321.07452	1.9
321.70807	1.7
323.09149	3.7
323.12903	2.8
325.10739	1.9
325.14124	1.9
327.04861	1.9
337.10614	3.6
339.15842	2.8
340.09402	3.4
341.10007	5.0
341.13779	16.6
349.14368	1.8
353.09695	2.5
353.19382	1.6
355.11743	15.8
358.10327	10.9
359.14655	2.4
367.15320	4.0
371.07568	2.4
373.12741	11.0
385.12524	2.7
385.16418	6.7
403.12308	1.6
427.41367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01865	9.3
55.05500	15.0
57.03425	2.4
57.07065	98.3
59.46232	1.4
62.58765	1.8
65.03953	1.9
67.05495	28.4
69.03416	19.4
69.07050	21.9
69.38127	7.4
69.38548	9.7
70.06576	2.8
71.01346	2.4
71.04985	10.0
71.08617	71.2
73.02904	5.4
79.05489	2.7
81.03410	24.9
81.06660	1.4
81.07042	39.3
83.08607	25.6
85.02879	8.1
85.06500	2.3
85.10167	42.2
88.07617	3.5
90.06697	1.7
93.07042	1.9
95.08102	1.6
95.08588	60.2
97.02876	100.0
97.10141	14.9
99.04438	45.3
99.11738	3.1
101.02363	2.4
105.07042	2.2
107.08524	1.4
109.02859	30.2
109.10139	31.9
111.11689	3.7
113.13264	1.8
123.11697	17.4
125.13290	3.1
127.03899	64.3
135.95599	1.6
137.13223	7.5
145.04936	6.6
145.10120	1.8
151.14832	3.4
153.99831	1.5
221.22620	4.0
239.10684	1.6
239.23668	87.7
240.23918	3.5
326.03561	1.6
339.34277	3.0
383.27725	5.0
401.38110	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.102
Annotation	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate
Peak:m/z	Relative Intensity
50.48287	0.4
54.89598	0.6
55.05473	0.7
67.05459	1.3
68.99776	1.0
69.03403	0.9
69.07025	0.5
79.05455	1.6
81.03370	0.9
81.07017	0.9
83.04914	0.6
84.08093	0.5
91.05444	1.4
93.07018	1.1
95.04936	0.6
95.08555	1.0
97.02848	1.0
97.06496	1.8
98.20667	0.9
105.07041	1.2
107.04909	0.6
107.08531	0.7
119.08553	0.7
121.02840	0.5
121.06448	0.8
121.10121	0.6
123.04362	0.7
128.06148	0.5
131.04848	0.7
133.10187	0.5
135.04335	0.8
135.05708	0.4
137.05885	0.5
145.06372	0.6
145.10139	0.8
147.04373	1.7
148.05191	0.6
153.05388	0.7
159.08058	0.6
161.05920	0.7
163.03824	1.8
167.03400	3.0
167.07098	2.6
173.05940	1.0
175.03889	0.9
177.05464	1.3
178.06242	3.5
179.06499	0.5
187.03902	0.6
191.06990	0.6
197.05907	1.1
201.05394	0.9
203.69481	0.5
211.03778	0.6
216.04025	0.6
225.05382	1.7
227.06984	1.0
228.04210	1.1
229.04872	3.4
231.06560	0.8
239.03307	1.1
239.07007	0.6
241.04938	1.1
241.08569	0.7
243.06482	1.2
251.10571	0.6
253.05075	2.8
253.12228	0.8
256.03629	0.7
257.04443	2.1
267.02829	1.2
269.08029	0.8
271.05945	4.8
281.04449	5.2
282.04990	0.7
283.05984	2.2
284.03180	0.7
285.03766	0.5
295.02505	1.6
295.05884	0.5
296.06717	2.8
297.00818	0.6
297.03925	1.9
297.07098	0.9
298.04568	1.2
299.05475	9.3
309.03830	1.4
311.05457	8.5
311.16547	0.5
312.05783	0.7
313.03659	0.6
313.06799	2.4
314.07782	2.1
323.12897	0.7
324.06262	2.0
325.06952	2.0
326.04184	0.6
326.07651	1.0
327.04947	58.9
328.05264	3.3
329.06525	0.8
329.10159	7.9
339.15607	0.8
341.06534	4.6
341.13690	3.5
342.07278	12.3
343.07907	0.9
355.04358	5.0
357.09634	78.8
358.09955	6.5
359.14877	0.5
367.15475	1.6
370.06723	1.7
385.09122	100.0
386.09393	7.6
403.10074	10.4
403.18060	0.7
404.10977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89019	0.7
52.90033	0.7
53.60839	0.6
56.05005	2.7
56.96558	7.0
57.03413	0.8
58.91662	0.7
61.02898	1.3
65.57870	0.6
67.05481	1.5
69.01732	0.7
69.03424	18.9
69.07054	3.7
69.59178	0.6
70.06563	3.0
70.88483	0.8
71.00745	0.7
71.56878	1.2
72.08121	2.2
73.02898	1.3
81.03381	1.0
82.06554	1.4
84.07661	0.9
84.08134	15.2
84.96000	1.1
86.09242	0.8
86.09693	9.2
91.05466	1.1
94.06513	1.0
95.04905	0.6
97.02888	5.1
97.07643	5.4
98.06057	1.9
98.09687	0.6
98.97565	6.9
99.04408	0.7
99.09181	1.6
102.05539	9.8
107.04926	1.0
109.02869	1.0
110.09666	1.1
111.09187	1.1
112.07587	8.4
114.05459	0.9
116.98616	5.2
119.01859	0.7
119.04874	0.7
121.02815	0.8
123.04449	0.9
126.05463	2.8
127.03899	1.4
128.98546	1.4
130.08565	1.9
133.06433	1.1
134.99608	3.1
136.06145	6.5
136.07506	1.4
136.11182	1.4
137.04562	1.6
137.05833	1.7
143.08136	31.3
144.06522	1.7
144.98141	0.8
146.99646	2.0
147.04332	1.3
152.10661	2.6
158.99606	1.0
161.01190	0.9
162.99191	0.9
167.07056	1.3
167.15428	1.2
169.09702	4.0
174.04306	1.1
177.00729	1.2
181.04933	3.6
186.04326	1.4
194.08151	1.7
204.05397	1.7
211.14410	3.3
213.08676	5.0
219.01770	2.5
226.01280	0.8
226.12178	1.0
227.23058	1.1
228.17140	4.4
235.02722	2.3
236.13889	1.7
237.02718	4.9
237.12305	1.6
240.08644	10.0
241.03798	2.5
253.03755	1.7
254.14952	13.9
255.13354	23.1
256.13510	0.8
269.10635	1.9
271.05154	0.8
272.16025	26.0
273.16418	0.8
276.07779	0.8
279.03922	1.1
295.04953	0.8
296.19662	2.9
298.13959	5.3
313.05981	1.4
314.17130	2.2
315.10309	1.0
322.17572	8.0
340.18634	100.0
341.18842	4.3
357.11490	1.5
358.19705	20.5
359.06570	1.1
401.11084	4.5
401.20267	77.0
402.15244	3.7
402.20596	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05398	1.8
53.03922	2.5
55.05490	2.0
55.49725	2.1
61.15889	1.9
63.91531	1.9
67.05492	3.5
69.07027	2.5
70.35220	3.8
70.35638	6.2
79.05484	19.3
81.07059	5.1
87.92936	1.9
88.02029	1.9
91.05441	3.9
95.04933	2.1
95.08574	3.8
99.94614	2.1
105.06979	2.2
107.04939	47.7
109.10139	5.0
110.22091	1.7
119.08514	3.6
121.10105	2.0
122.18816	2.0
124.05193	8.3
125.05959	7.7
126.17290	2.1
133.10147	2.2
135.11583	2.2
147.11833	2.0
148.07613	1.8
152.04651	3.2
161.49428	1.9
165.01848	4.8
167.07019	100.0
168.07370	2.5
179.07004	2.5
183.02902	5.7
193.04842	2.6
196.79633	1.9
204.65573	2.2
345.09644	69.5
345.13867	4.1
346.09995	3.0
401.16141	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
53.03948	1.1
55.01852	0.5
55.70135	0.2
57.18253	0.2
66.57337	0.2
67.05496	0.4
69.03411	0.2
69.07024	0.3
69.51936	2.1
79.05484	15.9
80.05820	0.4
81.03399	0.5
81.07041	1.8
91.05473	1.8
93.07034	0.6
94.04164	0.4
95.04953	2.2
95.08595	0.2
105.04506	0.4
105.06997	0.4
106.04187	0.3
107.04939	51.7
108.05252	1.1
109.02855	0.3
109.06489	0.7
111.04371	0.2
111.08031	0.3
116.09074	0.2
119.04943	0.8
121.06480	1.1
122.03631	0.7
123.04426	0.3
124.05197	8.5
125.05106	0.5
125.05984	5.6
125.06882	0.3
135.04474	0.2
137.05949	0.9
139.07536	1.0
141.01791	0.5
147.04390	0.7
148.07564	0.6
149.05933	1.1
151.03850	0.4
152.04665	3.7
153.05379	0.3
163.03922	0.7
165.01811	6.1
167.07014	100.0
168.07373	2.0
179.07027	2.3
181.08592	0.5
183.02870	4.7
191.03378	0.9
193.04971	0.8
207.06483	0.6
315.08490	0.5
317.10046	0.5
345.09641	61.9
346.09952	3.3
361.83115	0.3
401.15942	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
69.03411	2.3
70.65124	4.0
70.65491	4.4
79.05476	16.5
81.07050	3.8
84.08118	3.6
86.09749	2.1
91.05466	7.9
93.07037	2.1
95.04936	3.5
95.08630	2.2
97.02901	5.2
98.03243	2.0
103.05453	2.6
105.07004	3.3
107.04926	28.0
115.05463	4.7
116.06240	3.7
121.06462	2.2
121.10086	2.1
123.04429	6.4
124.05185	7.2
125.05972	2.7
125.57258	1.8
128.06194	3.1
129.06990	5.5
131.04913	2.5
131.08524	14.5
132.05701	2.1
135.04303	2.6
141.06953	4.9
143.04756	2.0
144.05693	7.5
145.06462	5.8
153.05479	3.1
156.05693	13.4
157.06494	3.9
158.07277	3.3
159.08025	16.2
161.05960	2.9
163.03899	2.2
165.05258	1.7
167.07018	100.0
169.06396	2.4
173.06027	7.0
181.08623	5.2
186.06744	5.6
187.07536	8.8
190.06296	2.2
190.07797	2.2
191.08589	2.8
195.06516	3.0
201.09201	2.5
202.06148	5.3
203.08603	2.6
205.06622	3.8
205.08478	18.6
207.06444	3.8
207.08244	2.7
207.10152	2.4
208.05144	16.3
209.05971	2.3
211.07530	4.1
213.05415	2.3
217.08569	37.3
218.07195	3.9
219.08081	12.7
219.10135	6.0
220.08809	6.8
221.06007	6.4
222.06769	2.1
223.07451	2.1
229.08624	4.4
231.08037	7.4
231.10095	2.3
233.05971	2.4
233.09569	4.3
234.10182	2.5
236.04691	7.5
236.08273	4.9
238.06242	2.9
239.06895	3.5
239.80104	2.1
240.04050	2.6
241.08620	2.7
245.09657	3.0
247.07446	11.6
247.09680	21.9
248.08221	13.6
249.05496	2.0
249.09105	2.6
251.10611	3.3
253.04991	2.5
253.10782	3.6
254.05682	9.1
254.11374	6.5
257.04388	2.9
261.09106	2.8
262.09811	5.0
263.06973	5.3
263.10602	10.0
264.07892	7.4
265.08530	6.5
267.06482	9.0
268.03653	3.0
269.08063	23.0
271.09698	5.7
272.06735	3.8
275.06998	5.6
276.07761	5.4
277.05319	2.3
277.08566	6.1
278.05994	3.0
279.10062	11.7
281.08310	2.3
282.05310	4.3
282.08865	15.8
286.04596	2.6
290.09167	3.1
291.10123	15.7
292.07428	4.8
292.10559	3.3
293.08115	9.2
295.09521	2.2
296.10138	2.6
299.09143	5.4
301.07098	3.5
305.08090	2.6
307.09497	12.7
308.10324	8.1
310.08279	8.5
311.12717	3.5
315.08585	67.4
319.09564	7.9
321.07602	4.7
321.11060	3.1
322.08395	2.6
322.11786	2.8
323.09235	4.5
323.12619	19.1
325.10812	3.0
328.09460	5.9
330.10944	79.6
331.11490	13.3
336.10034	5.9
337.10553	8.2
338.07483	2.6
339.12109	11.8
343.11771	21.9
351.12201	27.5
352.13251	3.6
353.10059	7.2
356.12204	3.8
368.12714	9.6
369.13208	4.5
371.14777	5.0
379.23428	2.9
383.14856	72.3
401.15939	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	401.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76459	0.6
64.48234	0.6
65.03923	0.8
67.05478	0.8
69.78861	0.6
70.06579	1.8
71.16723	1.4
78.27354	0.5
79.05490	0.5
84.08120	1.2
85.02901	1.1
86.09686	0.9
88.02189	0.5
91.05457	1.0
95.01321	0.6
95.04951	0.9
97.02899	1.2
97.76517	0.5
107.04950	0.9
116.07093	0.7
121.02802	1.7
123.00754	2.3
123.04451	0.7
137.05893	0.6
141.01782	2.1
153.05229	2.0
161.05896	0.8
167.06976	0.8
181.04921	17.4
204.97783	0.5
219.07922	0.7
227.05235	1.6
239.06985	1.8
267.06656	0.7
277.07050	0.7
285.07993	0.9
293.61212	0.7
303.13647	1.4
305.06448	2.9
315.10471	11.8
333.09921	0.7
339.10495	1.3
357.11523	29.4
401.10474	100.0
402.10687	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	401.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.2
65.03934	5.7
66.41091	0.8
67.05487	2.5
67.76151	0.7
68.99749	1.4
69.03414	4.2
70.06582	2.6
71.59522	1.4
73.20727	0.7
79.05470	1.4
81.03397	1.1
82.04147	1.2
83.04962	0.8
84.08116	1.5
85.02901	5.1
86.09693	3.1
91.05432	1.5
93.03380	0.9
95.01328	5.4
95.04945	1.9
97.02880	7.0
97.06519	1.3
98.03188	1.8
99.05545	0.7
105.07011	1.6
107.04954	2.9
108.02053	1.2
110.03651	2.2
111.04446	2.0
113.02357	1.3
115.05433	1.0
116.07071	1.7
121.02907	1.3
121.10136	0.7
123.00778	18.5
123.04415	2.2
124.03899	0.9
125.02292	2.0
125.05957	2.0
127.03877	1.0
133.06461	2.5
137.02295	1.5
137.06035	1.4
137.07990	0.7
138.03111	1.4
139.03848	1.5
140.04675	1.2
141.01813	22.5
141.05417	1.1
142.02592	1.7
147.04390	1.0
149.05952	2.1
151.03922	1.3
153.05452	1.5
155.06993	2.7
161.05904	3.6
167.07039	4.2
169.01315	1.1
171.06493	3.4
173.09511	0.8
177.05435	2.6
179.07088	1.1
181.04933	100.0
182.05293	1.7
185.12869	1.1
189.05478	1.8
199.10744	1.3
207.06512	1.2
209.06319	1.1
209.07990	5.7
216.04118	0.9
217.04953	0.9
221.08211	0.9
231.06534	1.8
237.07527	1.1
249.07539	2.7
259.05695	1.1
265.07047	1.0
269.08273	0.9
277.07074	6.7
286.17648	0.8
291.08624	1.0
295.08136	1.9
303.08411	1.0
305.06512	25.8
315.08597	0.9
323.07700	2.1
325.09027	1.6
327.10794	0.9
383.15002	1.2
401.10361	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	401.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01865	6.8
57.03413	0.5
65.03928	3.4
67.01842	0.4
67.05503	2.0
69.03417	1.3
70.06588	1.8
70.84477	1.0
79.05481	1.3
81.03395	1.3
81.07064	0.5
82.04180	1.3
83.04977	0.7
85.02892	3.4
85.76179	0.3
86.09689	1.1
91.05451	0.9
93.03384	0.9
95.00783	0.5
95.01319	3.4
95.04950	1.6
97.02879	4.0
97.06505	1.5
98.03215	1.2
101.02395	0.6
103.05457	1.0
107.04942	2.6
108.02058	0.6
108.88150	0.3
109.02857	0.4
109.83781	0.3
110.03628	1.8
111.04459	1.9
113.02351	0.6
119.04956	0.7
121.02849	0.4
121.06468	0.9
123.00761	2.8
123.04399	1.1
124.03938	1.1
124.05131	0.5
125.02335	0.8
125.05963	1.4
127.03886	0.6
131.04909	1.4
137.02309	1.3
137.05952	1.5
138.03082	0.9
139.03880	3.6
140.04639	1.7
141.01817	2.7
141.05470	0.5
142.02632	1.7
147.04353	1.5
149.05954	1.3
153.05455	1.0
155.03412	0.7
155.07014	2.1
159.02934	0.5
161.05971	1.0
163.03870	0.5
167.03377	1.6
167.07021	4.5
171.06516	3.4
175.03941	0.4
177.05449	5.0
181.04935	100.0
182.05240	2.2
188.06396	0.4
189.05435	0.6
191.07025	0.3
207.06500	3.5
209.06200	0.7
209.08073	7.3
217.04877	0.6
221.06075	0.4
231.06467	0.4
235.06038	0.6
237.07480	0.4
242.45869	0.3
245.04474	0.4
253.07005	2.2
259.05917	0.4
260.83658	0.3
265.07059	1.0
275.05353	0.8
277.06992	1.3
279.08585	0.4
291.08612	0.4
295.08142	1.9
303.08603	1.3
305.06534	2.6
307.07947	0.4
323.07547	0.7
325.09232	0.8
335.07816	0.5
339.10748	0.7
365.08649	0.9
383.09595	1.1
401.12946	0.5
401.17883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
54.28719	1.1
55.01856	2.1
55.05507	1.7
67.05511	1.5
68.18391	1.1
69.03400	2.5
69.07020	1.2
69.31226	1.2
71.04975	1.6
72.53770	1.3
78.04693	2.3
79.05479	16.1
81.07022	4.4
82.67802	1.1
91.05456	10.7
93.07033	3.4
95.04942	4.5
97.02888	5.8
98.21553	2.3
105.07014	2.7
106.64443	1.2
107.04249	2.0
107.04942	35.1
107.08556	1.4
109.06497	1.6
109.10153	1.4
115.05430	3.6
116.06210	4.3
117.07001	3.4
119.08523	1.8
121.02814	1.6
121.06447	2.3
123.04417	5.2
124.05168	6.6
125.05948	5.4
128.06180	3.8
129.06952	7.4
131.04912	2.3
131.08554	9.4
132.05684	2.2
133.06529	2.6
135.04350	2.2
137.02361	1.3
137.05998	3.1
141.06953	7.0
144.05666	9.0
145.06485	6.3
147.04358	1.7
149.05934	1.5
151.03905	1.4
151.07515	2.0
152.04655	3.6
153.01787	3.7
153.05415	2.4
153.06871	2.2
155.07109	1.3
156.05684	11.6
157.06430	5.0
158.07225	3.0
159.08017	15.8
161.05943	4.3
163.03865	4.5
165.07021	2.2
167.07018	100.0
168.07356	1.4
169.06427	2.1
170.07231	2.1
171.07945	1.5
172.05153	1.9
173.05960	5.3
175.07498	2.6
177.05446	2.3
178.07718	1.6
179.06970	3.5
181.04829	3.2
181.06357	2.0
181.08528	3.3
182.07104	2.2
184.05179	3.6
186.06734	3.5
187.07501	9.4
189.06911	1.7
190.06210	3.3
190.07742	2.2
191.06979	2.7
191.08545	4.4
193.06393	2.5
193.08533	1.8
195.06462	3.5
195.08086	1.7
197.06047	1.3
201.09090	3.0
202.06157	6.5
202.07777	2.8
203.06877	1.7
203.08537	3.8
204.07666	2.4
205.06657	2.8
205.08562	16.2
205.10257	2.0
207.06425	7.0
207.08195	1.7
208.03177	2.2
208.05156	24.9
208.06929	1.2
208.08815	2.6
209.05893	3.2
209.07869	1.8
210.06686	3.4
211.07428	3.7
214.06229	2.4
215.06807	2.6
215.08658	3.0
217.06453	1.9
217.08559	38.7
218.07179	6.8
219.08005	13.3
219.10117	6.3
220.08836	6.3
221.06012	7.6
221.09633	1.9
222.06651	1.7
223.07532	1.6
224.04491	2.1
225.05284	2.4
225.09122	1.6
226.06241	2.9
229.08624	5.9
230.07156	2.2
231.08096	10.8
231.10118	2.8
232.08740	3.7
233.05952	3.0
233.09554	4.3
234.06660	3.5
235.07544	4.6
235.11197	2.2
236.04611	8.4
236.08284	4.5
237.05347	1.9
237.09042	2.6
238.06244	3.4
239.06920	2.1
240.04089	3.9
241.08591	1.5
245.09615	4.1
246.06694	2.8
247.07451	14.9
247.09644	22.5
248.08218	15.6
249.05447	3.3
249.09001	5.2
250.05995	2.2
251.06940	1.7
251.10619	3.1
253.08353	1.7
253.10721	2.7
254.05725	8.0
254.11308	6.9
255.06361	3.3
256.07242	1.9
257.04373	2.8
259.07498	2.6
260.08203	3.0
261.09143	5.2
262.06226	1.6
262.09747	6.3
263.06921	3.6
263.10587	9.3
264.07870	6.5
265.08569	7.6
266.05716	2.2
267.06479	9.2
268.03683	3.1
269.04935	1.9
269.08051	24.7
270.08389	2.3
271.05969	2.7
271.09595	7.9
272.06720	5.6
275.06924	7.5
276.07788	8.6
277.08524	6.3
278.05685	1.6
279.06805	2.3
279.10092	10.4
280.10648	2.1
281.08020	3.5
282.05399	2.7
282.08801	17.3
283.06070	2.3
283.09299	2.0
284.06735	2.1
285.07602	3.1
287.09235	4.0
289.08539	1.9
290.09360	5.6
291.06882	2.1
291.10104	14.9
292.07272	5.3
292.10474	2.4
293.08069	10.1
294.08771	2.2
295.09341	2.1
297.07474	2.3
299.05478	5.5
299.09064	6.1
300.06094	2.5
301.06879	3.0
305.07990	3.7
305.11389	1.3
306.05209	1.2
307.09586	13.8
308.10278	7.0
309.07492	2.7
309.10962	2.1
310.08249	9.9
311.05350	1.6
311.08954	1.7
311.12717	4.2
313.07266	1.6
315.08572	83.2
316.09149	6.1
318.08725	2.0
319.09604	9.2
321.07510	4.2
321.11041	2.6
322.08279	2.8
322.11810	2.3
323.09103	2.2
323.12610	16.3
324.12936	1.6
325.07028	2.9
325.10666	2.9
327.08493	2.1
328.09363	6.9
330.10931	77.6
331.11642	15.9
336.09793	6.6
337.07043	1.7
337.10684	9.2
338.11301	1.9
339.08569	2.1
339.12189	7.9
341.10095	1.6
341.13940	2.4
343.11655	24.4
350.11221	1.9
351.12207	28.6
352.12891	4.9
353.06250	3.1
353.10211	7.4
356.12463	4.9
357.08670	1.8
368.12421	10.5
369.13181	5.3
371.14920	4.7
373.16394	1.9
383.14850	59.0
384.14978	4.1
401.16068	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	401.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39357	2.1
56.96557	15.4
57.01768	2.0
69.39806	7.5
69.40226	14.0
92.42838	2.3
98.97565	94.9
98.98219	4.6
116.98606	96.3
119.01891	4.0
134.99640	68.2
136.99156	2.6
153.00636	12.1
158.01166	3.0
177.00903	3.9
179.00658	2.6
190.95407	3.1
192.98712	3.3
194.98587	2.4
219.01938	13.1
220.02049	3.5
221.01872	2.8
228.83064	2.2
232.96490	5.9
234.21249	2.5
234.96321	3.7
234.99785	9.3
236.00090	6.6
236.99730	7.7
240.98810	4.5
248.04013	2.7
250.97536	5.5
252.97517	3.7
255.00836	2.7
256.96484	8.1
258.96820	4.8
258.99747	59.0
259.02368	4.6
260.00018	7.7
260.99789	17.1
261.03030	14.5
263.02872	6.4
274.97476	72.5
275.97928	9.9
276.97574	24.4
277.00806	100.0
277.98032	2.5
278.00906	11.3
279.00836	19.4
280.01126	4.5
282.01282	4.9
282.99936	29.5
284.00040	9.4
284.04556	2.6
284.99734	21.0
285.99759	3.9
292.98450	53.9
293.98984	6.5
294.98471	11.1
297.99057	4.8
298.97583	4.3
300.02417	6.0
300.97543	16.1
301.01010	58.9
302.01141	10.9
302.70258	2.5
303.00854	37.1
304.01025	6.4
311.49561	2.5
316.98447	4.9
317.98868	3.3
318.98572	33.9
319.01965	4.6
324.02661	2.9
338.07089	2.4
342.00122	2.8
359.01559	14.8
360.02072	3.1
376.98520	15.3
377.03220	4.2
383.00128	4.7
383.98831	2.8
401.01218	26.7
402.01279	4.3
419.02551	5.3
424.02420	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90990	0.7
54.25842	0.6
55.01857	1.6
57.03357	0.7
65.03915	1.0
67.45678	0.6
69.03405	0.7
70.06571	2.3
71.59193	1.0
72.08115	1.6
81.03432	0.8
83.04976	1.0
84.04459	1.1
85.02885	2.1
86.09656	2.0
91.05454	1.2
95.01342	0.7
97.02853	3.1
107.04920	2.5
109.02822	0.6
116.07037	1.1
119.04891	0.7
121.02832	1.6
123.00761	1.9
123.04383	1.1
134.17596	0.7
137.02364	0.9
137.05957	1.2
141.01784	3.1
147.04407	3.5
151.03831	0.9
153.05276	2.1
160.49037	0.7
161.05920	0.8
167.03424	0.8
167.07080	1.0
175.03949	0.8
175.07503	1.2
177.05406	1.3
181.04924	20.0
189.05460	0.8
203.03427	0.7
209.08299	0.8
227.05264	0.9
230.11253	1.1
239.06923	1.0
240.07716	0.9
247.07463	1.1
254.11328	0.9
269.08127	0.8
289.23267	0.7
305.06534	2.5
315.10495	11.5
339.10596	1.4
357.11508	32.4
401.10437	100.0
402.10852	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
53.57861	0.5
55.01860	1.5
56.05040	0.5
57.03435	7.6
61.02924	2.5
69.03424	10.3
70.06576	1.1
70.48747	2.1
71.01347	0.8
71.04993	0.8
72.08096	0.8
72.41739	0.6
73.02906	1.2
75.04452	1.3
77.03920	0.8
81.03408	5.8
83.01328	0.7
83.93768	0.5
85.02898	27.1
87.04440	0.8
91.03946	1.2
91.05468	0.8
95.04959	1.1
97.02885	21.3
99.04437	2.2
100.62572	0.5
102.04674	1.0
102.07534	0.5
103.03954	1.8
103.05457	45.9
104.05789	1.5
105.07028	1.4
106.02901	1.2
109.02879	3.8
111.04412	0.5
117.05463	2.2
124.03931	2.1
127.03921	8.2
129.05467	0.7
130.04158	1.8
131.04916	100.0
132.05266	2.2
133.06476	0.9
134.37933	0.5
137.05922	0.9
145.04941	3.9
147.04480	0.7
148.05174	12.4
158.07404	0.7
161.05989	4.3
162.06664	0.8
163.07524	50.4
164.07938	1.1
169.12448	0.6
173.09586	0.8
175.07541	0.9
175.93204	0.5
187.04012	0.5
201.07457	0.8
201.09148	1.9
207.06616	0.5
219.10204	0.9
220.05952	2.7
237.11201	1.8
325.31485	0.6
399.15948	0.6
400.12354	0.7
410.70160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
51.65063	0.7
53.03929	1.5
55.01857	1.5
57.03428	6.6
57.07067	1.5
61.02932	3.4
69.03422	8.5
70.06563	2.2
71.01591	0.8
71.01891	0.7
71.04978	1.2
72.08152	0.8
73.02900	1.7
75.04465	1.2
81.03399	4.9
82.06565	1.4
83.04987	1.1
83.06075	1.9
84.08128	0.7
85.02892	25.9
86.09696	0.9
87.00812	0.8
87.04449	1.7
91.03958	0.9
91.05455	1.5
95.04945	1.2
95.06077	1.9
97.02882	15.2
97.23351	0.7
99.04440	2.4
103.03947	2.6
103.05455	49.5
105.07009	1.2
107.04942	1.1
109.02863	4.6
110.06013	1.3
111.04436	1.9
115.03878	0.7
117.05476	1.5
117.07001	1.0
121.02870	1.2
124.03942	1.1
127.03903	8.4
129.05457	0.9
130.04124	1.5
131.04910	100.0
132.05237	1.9
133.06494	1.2
137.05981	0.9
145.02869	0.8
145.04948	4.6
145.06477	1.0
147.04366	0.9
147.06519	0.7
147.08060	0.9
147.09109	3.8
148.05191	11.3
151.08606	0.7
158.65472	0.7
160.05157	1.5
161.05974	4.8
162.06729	1.3
163.07518	47.4
164.07899	1.2
164.09261	0.7
165.01917	0.9
169.29057	0.7
175.07422	1.0
175.08714	1.5
177.05463	1.2
178.03224	0.6
189.09015	1.1
193.09717	10.7
201.09117	2.2
207.06480	0.9
210.12358	2.8
211.10744	1.4
219.06674	0.7
237.11220	1.5
254.11328	1.9
290.37292	0.7
294.18066	3.0
296.62857	0.6
355.19806	2.1
399.10349	1.1
399.18658	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	400.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60447	0.2
75.12375	0.1
97.02827	0.4
102.88874	0.1
149.28543	0.1
195.91049	0.2
223.06422	0.3
224.10620	0.1
236.10709	0.4
237.07777	0.6
238.08595	22.2
239.08965	1.5
251.09431	0.2
252.10175	15.3
253.10936	100.0
254.11293	5.4
266.11713	0.5
267.12494	0.4
295.57443	0.2
296.12637	0.2
310.14352	0.5
329.06277	0.1
340.11823	0.5
382.12814	0.2
400.13885	9.4
401.14224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74084	0.2
68.75660	0.1
70.06554	0.2
71.14132	0.3
72.83775	0.1
81.07009	0.2
84.04462	0.3
97.02875	1.3
111.00793	0.2
124.03895	0.2
126.99879	0.2
153.01662	0.2
176.80511	0.1
220.07582	0.2
223.06183	0.3
236.10713	0.3
237.07829	0.6
238.08597	23.3
238.40137	0.2
239.08977	1.1
252.10165	16.5
253.10934	100.0
254.11293	3.8
265.84952	0.2
266.11719	0.5
267.12503	0.5
310.14291	0.4
320.03738	0.2
329.60419	0.2
340.11755	0.7
356.08478	0.5
369.13568	0.2
382.13080	0.2
400.13913	9.4
401.14212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34240	0.2
55.01854	0.9
56.96548	0.7
57.03428	1.4
59.04970	0.3
61.02894	0.7
69.03417	3.0
69.07057	0.3
70.06571	0.7
71.01330	0.6
71.61487	0.3
72.08134	0.9
73.02906	1.1
76.95006	0.3
79.05471	0.2
81.03403	0.5
81.07092	0.3
84.08105	0.9
85.02894	2.8
87.04454	0.6
94.04035	0.5
97.02879	5.7
97.11240	0.3
98.97580	1.0
99.04424	0.4
103.03939	0.3
106.02911	0.3
107.90535	0.3
111.04455	0.5
115.03914	1.2
116.98600	0.3
119.03527	0.8
120.08070	0.3
121.02797	0.2
124.03893	0.6
126.60726	0.3
127.03893	0.5
133.04947	1.1
136.06161	100.0
137.04565	0.6
137.06540	1.1
145.04916	0.3
147.04413	0.5
148.06245	0.3
152.14261	0.3
158.99615	0.4
160.50580	0.4
177.00621	0.4
178.07286	0.6
181.04926	1.2
199.08746	0.3
220.06102	0.6
226.22688	0.7
232.08253	0.3
237.02850	0.4
250.09386	0.4
268.07477	0.6
268.10364	10.8
288.67282	0.3
357.11646	0.4
359.70950	0.3
400.14655	4.9
400.24719	0.4
401.10483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1433
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
51.02305	0.5
52.02155	0.4
53.00259	0.6
53.05865	0.4
55.01825	0.7
55.05463	0.8
56.96483	0.5
65.03882	0.7
66.82272	0.4
67.00398	0.4
67.05428	1.6
68.99723	0.5
69.07012	0.5
70.92452	1.0
70.92825	1.0
74.19900	0.4
75.35351	0.4
79.01839	4.8
79.05428	1.5
81.06977	1.7
83.04919	0.6
87.35896	0.4
91.05409	1.5
93.06992	0.8
94.03249	0.5
95.08518	1.2
95.39178	0.5
97.06482	0.4
97.10099	0.5
101.05979	0.4
107.01219	0.7
107.04896	1.2
107.08539	0.5
109.10104	0.8
119.04906	2.3
119.08549	0.7
121.10071	0.7
125.06042	0.5
128.06186	0.7
129.05368	0.6
129.06956	0.9
131.08472	0.5
133.10036	1.0
136.01479	0.5
141.01767	0.7
144.17247	0.5
146.03586	0.5
147.04370	3.1
147.97920	0.5
149.02315	9.1
153.01740	0.5
153.05360	1.8
154.02501	1.1
155.04936	0.5
157.06389	1.0
161.05849	0.8
163.03819	1.5
164.04660	19.6
165.01797	4.8
165.05421	0.4
167.03319	0.7
167.06935	1.0
173.13199	0.5
177.01672	0.9
177.05357	0.7
179.03354	0.9
183.02875	2.6
183.04248	0.6
184.05171	0.9
185.05894	1.2
187.03885	0.9
189.11259	0.5
191.03299	2.0
197.05994	1.1
198.06725	0.8
199.07501	0.5
201.05406	1.1
203.03461	0.6
204.04106	0.9
204.23410	0.4
205.04950	2.3
211.03709	0.6
212.04630	1.5
213.05377	2.5
215.03404	1.1
221.07977	0.6
223.81693	0.6
225.05307	0.5
226.06166	1.7
227.06931	1.0
229.04953	2.2
233.08084	0.7
239.03340	1.0
240.04102	1.8
241.04913	1.6
242.05670	0.5
253.04863	1.4
254.05707	2.8
255.06425	3.0
257.04538	0.7
259.05939	1.9
265.04852	0.8
267.02960	0.5
268.03683	2.5
269.04327	1.5
280.03546	1.0
281.04294	2.0
282.05194	7.2
283.05951	12.6
284.06256	0.8
285.03860	0.8
295.06000	0.5
296.03146	1.6
297.03757	0.6
299.05524	0.9
300.06293	0.6
310.04694	4.9
311.05463	11.3
311.08765	0.4
312.05951	0.9
313.03415	0.7
313.06845	0.9
314.04236	0.9
315.08600	1.0
319.08047	0.7
327.04788	0.6
328.05731	9.0
329.06494	4.6
338.11652	0.9
341.06503	4.3
343.08072	74.0
344.08398	4.7
366.10983	0.8
369.09756	0.9
384.12042	1.2
399.14343	100.0
400.14682	7.6
403.04346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1435
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
51.95998	0.2
54.37925	0.2
55.01859	0.9
55.05490	0.5
64.68456	0.2
67.05486	0.5
69.03404	0.3
71.08619	0.6
71.63547	0.3
71.63962	0.3
75.20422	0.2
75.41526	0.3
79.05505	0.3
81.02305	0.2
81.07025	0.4
86.52955	0.2
91.05449	0.6
93.07011	0.4
95.04932	0.3
97.10204	0.2
105.07021	0.3
107.08537	0.3
109.10109	0.5
111.04414	0.3
119.04948	0.4
119.08607	0.3
121.10088	0.3
129.05389	0.2
131.08592	0.3
133.10097	0.7
134.03596	0.3
141.01813	0.5
144.64005	0.2
145.10080	0.4
145.28676	0.2
147.04268	0.3
149.02298	0.3
151.07542	0.2
153.01816	0.9
157.06439	0.3
162.03111	1.0
163.03886	7.8
164.04607	1.1
165.01830	2.2
166.02512	0.3
167.03386	0.7
168.26521	0.2
183.02878	1.7
184.03719	0.3
184.05270	0.3
186.03069	0.7
186.99724	0.2
189.70770	0.2
197.05968	0.6
198.06569	0.5
204.04176	2.4
207.92004	0.2
212.04613	0.4
213.05304	0.4
215.03412	0.3
225.05350	0.5
226.06178	1.6
229.04926	0.6
232.03494	0.5
240.04169	2.5
241.04741	0.4
243.02855	0.3
243.06558	0.4
253.04951	0.8
254.05701	5.6
255.06317	0.5
257.04425	0.9
268.03629	3.4
269.04022	0.4
281.04572	0.5
282.05188	28.1
283.05634	2.1
285.03867	1.9
299.05521	1.5
300.06403	0.8
309.04013	0.6
310.04691	5.7
311.05280	1.4
313.03232	1.3
315.04877	1.0
327.04974	2.7
328.05713	8.3
329.06149	0.4
343.08075	100.0
344.08405	5.1
345.46890	0.2
392.05481	0.3
399.14423	6.9
400.14630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1431
Annotation	Terrestrol A
Peak:m/z	Relative Intensity
50.61237	0.6
51.03474	0.7
53.03928	2.0
55.05495	1.3
56.96586	0.6
57.07046	3.0
67.05482	2.1
69.07037	1.4
70.64832	2.7
71.08610	2.6
78.04694	0.8
79.05479	26.2
81.03379	1.3
81.07047	5.4
85.10175	1.1
88.77209	0.6
91.05454	4.8
93.07046	1.4
94.04188	1.0
95.04966	4.1
95.08585	1.8
95.19449	0.8
105.03366	0.7
105.04474	1.3
106.04173	1.1
107.04939	60.1
107.08579	1.0
108.05258	1.2
109.02843	1.0
109.06489	2.7
109.10188	1.1
111.04433	0.6
111.08069	1.1
112.23660	0.7
119.04937	2.2
119.08565	1.1
121.06482	1.5
121.10152	1.0
122.03624	1.5
123.04417	1.0
124.05186	11.3
125.05986	8.1
133.06450	0.8
133.10110	0.9
134.03572	1.4
137.05959	2.1
139.07469	0.9
143.08546	0.6
147.04372	3.9
147.08063	1.5
148.07594	1.0
149.05962	2.2
151.03979	1.2
151.07408	0.9
152.04703	4.9
153.05440	1.0
155.07031	0.7
167.07018	100.0
168.07343	2.6
171.08044	1.1
175.03891	1.7
175.07523	1.9
177.01927	0.8
177.05440	1.0
179.07013	6.4
189.09071	2.1
199.07539	1.4
203.07036	0.9
207.06503	2.3
217.08559	10.0
217.95390	0.8
219.06516	4.1
221.08159	0.8
245.08052	15.3
296.29443	19.9
300.44006	0.7
371.14844	3.9
381.13348	2.3
399.14343	76.6
400.14777	4.9
400.38110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
56.05017	0.4
56.96538	0.6
57.07071	0.4
61.02911	0.4
64.25121	0.4
69.03408	1.1
70.05793	1.2
70.06223	1.1
70.06575	1.7
71.08624	0.7
84.08131	0.7
85.02886	1.3
87.04465	0.5
97.02872	3.0
98.97568	1.5
102.05567	0.6
109.02794	0.6
111.04464	0.4
116.98599	0.7
127.03848	0.7
129.05484	0.5
130.16040	0.4
131.04913	0.4
136.06178	9.4
137.05942	0.6
147.04381	0.6
147.06421	0.7
158.44521	0.4
212.06227	1.2
219.01891	0.6
237.02757	0.6
250.09332	1.8
252.73306	0.4
261.02722	0.4
265.75818	0.4
268.10416	1.4
339.03961	0.5
350.59186	0.6
381.09982	0.6
399.12598	100.0
400.12949	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71805	1.8
53.03939	6.4
55.01863	5.6
55.05511	3.7
56.05042	3.7
57.03427	14.1
59.04998	3.1
61.02923	4.5
63.88073	2.5
65.03928	3.2
67.05495	4.8
68.99752	2.4
69.03423	53.4
69.07063	14.6
69.19372	1.9
70.06564	5.9
71.04974	2.7
71.60233	3.1
72.08160	3.5
73.02917	12.4
79.05489	3.4
81.03406	18.4
81.07041	2.5
83.04977	10.7
84.04482	8.4
84.08124	3.8
85.02893	100.0
87.00819	19.1
87.04456	21.2
91.03984	2.1
91.05471	9.6
93.03397	4.7
95.04952	7.8
97.02882	60.3
98.03219	2.4
99.04447	8.5
103.03933	3.4
103.05453	8.1
103.26096	1.8
105.01863	30.6
105.07024	2.9
107.04955	21.7
109.02879	18.9
111.04429	10.8
111.08079	5.3
115.03919	38.5
116.07129	4.0
117.06952	3.0
119.04917	9.5
119.08564	3.5
121.02856	4.0
121.06403	2.7
123.04404	3.5
124.07561	6.5
126.09145	2.3
127.03902	53.4
128.04243	3.6
129.05467	3.1
129.97641	1.9
131.04901	19.7
132.08128	4.8
133.04945	47.1
133.06491	4.2
135.04431	4.4
137.05954	5.0
139.03896	6.4
143.04945	2.3
145.02914	4.3
145.04941	43.5
145.06207	3.1
145.06555	3.3
146.05971	3.8
147.04414	16.6
148.07562	3.9
148.44966	2.1
149.08351	3.4
150.07613	4.9
150.09142	3.5
153.01791	11.1
159.02914	10.7
160.07491	11.5
161.05989	11.8
163.03929	9.2
163.05997	11.1
163.07524	10.4
165.09140	2.2
171.04362	2.6
175.03894	8.3
177.05440	6.3
178.08591	6.1
183.10237	4.4
188.07042	14.7
189.05566	3.4
201.11154	2.9
203.06940	4.3
206.08087	16.4
207.06502	16.1
213.03920	2.5
224.09209	4.0
225.33199	2.0
231.04953	11.1
241.06992	2.3
249.06027	2.7
259.04010	1.9
272.51031	2.1
277.08994	1.9
295.09808	3.3
337.09390	2.8
380.13440	4.3
398.14307	10.7
399.16165	3.4
414.80573	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1069
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01854	1.6
55.05497	1.3
57.03418	1.0
65.29570	0.7
67.01836	1.8
67.05476	2.2
68.99780	4.0
69.03400	3.4
69.07046	3.0
69.26041	3.1
69.26459	5.6
70.06580	6.5
79.05487	3.8
79.30546	0.7
81.03393	1.1
81.07034	1.8
83.04958	1.1
84.08135	1.2
86.09694	2.0
91.05463	2.7
92.14537	0.7
93.07040	1.0
95.04932	1.3
95.08582	1.2
97.02886	4.4
97.06511	4.9
97.10110	0.8
104.53069	0.8
105.03340	1.1
105.06995	2.6
107.04934	1.0
107.08581	0.9
111.00764	3.3
115.05425	1.3
117.07017	1.4
119.08558	1.4
121.02850	1.0
121.10159	1.1
123.04423	2.1
127.08641	1.9
128.06198	1.9
131.04884	1.2
131.08574	1.7
136.18182	0.7
137.02341	1.4
137.05920	0.9
137.09508	0.7
143.04927	0.9
143.08510	1.6
145.06465	0.9
145.10135	1.3
145.13788	0.8
147.04425	2.1
147.08049	0.7
147.11687	1.0
151.07541	0.9
153.01801	100.0
153.06952	3.4
155.08478	1.5
157.06409	0.9
160.05173	2.4
161.05972	4.8
165.01785	3.1
165.06833	0.9
167.06978	0.8
169.06462	0.9
171.02815	0.9
171.04352	0.9
171.08003	2.2
172.08556	0.9
173.05974	3.2
175.03909	1.1
175.07541	2.4
177.05432	1.7
181.06480	3.7
183.04352	1.0
183.08076	1.6
187.03888	1.0
187.07509	2.7
189.05505	1.9
189.09134	2.4
193.19490	0.9
195.08020	0.9
197.05899	1.3
199.07472	6.1
200.04666	1.9
201.05437	3.6
201.09085	2.7
203.03395	3.3
203.06975	1.4
209.05930	1.1
210.06654	1.2
211.07507	2.1
212.07994	1.2
213.05396	1.8
215.06946	2.5
216.04184	1.1
216.07259	1.0
217.04942	3.8
217.08542	2.3
227.03282	1.2
227.07039	4.0
229.05011	1.8
229.08569	5.3
229.15457	3.4
230.08934	1.0
231.06430	3.2
234.08588	0.8
237.05566	1.1
241.08574	1.4
243.06578	2.0
245.04427	2.5
245.08118	2.7
250.06160	1.1
253.04919	1.3
253.08537	1.0
253.10970	2.1
255.06493	12.1
257.04465	1.6
263.07129	1.0
265.04846	1.0
269.04346	2.6
269.07626	1.0
271.05850	1.2
273.03976	2.9
273.07495	18.7
274.04431	1.4
279.06412	1.9
281.04449	1.1
282.05130	1.6
283.05902	1.5
285.03867	4.3
285.07092	0.9
292.07108	1.1
295.06082	2.3
297.04044	1.5
297.07404	2.4
298.04654	3.3
299.05728	3.7
301.03458	4.7
302.04111	1.3
303.04886	3.8
306.05133	1.0
307.09653	2.1
309.07495	3.0
311.05707	3.8
311.08856	1.5
313.03397	9.8
313.06900	2.1
323.05383	2.4
324.06363	2.1
325.07013	3.0
325.10608	1.8
326.04086	2.0
327.04926	6.5
328.09152	1.2
334.04614	1.2
335.05331	1.6
335.08841	3.9
337.07031	4.2
339.04910	2.3
341.06378	1.1
342.07172	1.2
346.09924	4.9
348.05884	1.2
353.10135	5.9
355.08054	19.1
363.08597	5.9
364.11203	1.0
381.09625	28.0
382.10080	1.7
399.10669	56.6
399.19257	1.4
400.10681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31030	1.8
53.03936	6.4
55.01866	9.5
57.03431	11.0
61.02910	5.9
63.64883	1.7
68.67824	1.6
69.03418	40.8
69.07059	8.3
69.55196	15.2
70.06596	2.6
71.01322	2.2
71.04974	5.9
73.02898	11.4
79.05468	2.7
80.11385	1.7
81.03405	27.7
81.07034	1.9
83.04957	3.5
84.04498	4.3
85.02895	100.0
87.00816	35.1
87.04465	10.3
91.03957	3.8
91.05453	3.0
93.36433	2.0
97.02882	58.9
98.20747	4.2
99.04444	15.4
103.05401	2.4
105.01858	48.9
107.04948	7.4
109.02874	24.1
111.04398	3.6
111.08086	3.2
115.03922	18.6
117.01858	2.8
124.07607	3.5
127.03896	72.2
129.01846	3.9
131.04950	4.0
132.08066	3.7
133.04950	22.2
135.04381	2.8
137.05937	2.1
145.02879	2.2
145.04942	48.3
147.02869	4.8
147.04378	6.5
148.07545	2.3
153.01851	2.3
157.04950	2.0
159.02902	18.6
160.07547	5.7
161.06004	3.9
163.03874	4.2
163.06009	2.4
163.07491	2.8
175.07478	2.1
177.05525	2.3
178.08711	1.9
188.07080	5.2
206.08080	6.7
213.03917	2.5
231.04968	19.1
249.06035	3.5
259.08420	2.0
380.13486	4.5
398.14246	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.6
55.01854	8.7
56.22654	2.2
57.03413	8.2
61.02903	6.9
66.97313	2.4
67.05499	3.2
68.99779	3.9
69.03419	42.2
69.07041	4.5
70.06565	3.9
71.04967	5.2
71.65357	3.0
72.08128	3.5
73.02905	10.4
78.57526	2.3
81.03401	27.0
81.07002	3.4
82.25284	2.6
83.04950	5.9
84.04464	3.4
84.08123	2.9
85.02892	100.0
87.00327	3.1
87.00813	32.8
87.04485	9.7
91.03937	5.0
91.05451	3.7
93.03351	2.6
93.07043	2.4
95.04945	2.5
97.02881	55.2
99.04446	14.8
105.01850	44.7
107.04928	9.6
109.02863	27.5
111.04408	4.9
115.03923	14.0
117.01833	4.4
119.04962	2.5
120.42775	1.9
124.07515	3.7
127.03893	65.2
129.01805	4.1
129.05470	2.9
131.04895	5.6
133.04947	15.8
136.07507	2.4
137.06006	2.5
145.04930	41.9
147.02795	2.8
147.04355	6.9
149.08414	2.4
153.01773	2.6
156.97920	2.6
157.04921	2.3
159.02858	19.4
160.07581	3.6
161.05940	5.8
163.03856	2.2
163.05914	3.2
163.07481	2.2
177.05392	3.6
183.10056	2.5
188.07014	6.7
189.05417	2.6
206.08090	8.5
206.24908	2.0
207.06470	3.1
213.03831	4.0
231.04935	16.5
249.05965	3.1
380.13422	3.0
398.14282	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	397.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01859	2.8
55.05494	11.4
57.03423	7.8
57.11905	1.0
61.61473	1.0
66.59552	0.9
67.05154	1.3
67.05495	20.7
69.03421	1.8
69.07059	5.3
71.04986	1.2
71.61932	1.8
77.03920	1.1
78.04649	1.1
79.05482	11.4
81.07040	11.1
83.04966	17.1
83.08591	2.8
85.06559	1.1
91.05471	11.9
93.07032	16.5
95.04936	3.6
95.08581	11.6
97.06523	4.0
98.14855	0.9
103.05441	1.6
105.07023	6.1
107.04958	2.8
107.08578	11.4
107.72191	1.0
108.09499	1.0
109.06488	4.1
109.10135	4.5
111.04443	1.9
111.08062	12.1
115.05464	1.7
117.06998	3.5
119.04906	2.8
119.08575	6.9
120.34023	0.9
121.06479	2.5
121.10126	5.9
123.08060	5.8
123.11642	1.6
125.09621	3.6
128.06229	1.6
129.06987	1.2
131.04958	1.5
131.08585	5.6
132.21933	0.9
133.06503	1.1
133.10072	2.8
135.04333	1.2
135.07993	2.4
135.11676	3.9
137.05980	1.1
137.09596	2.2
137.13255	1.5
139.11142	5.0
141.12796	1.3
143.08464	1.8
145.02835	1.0
145.06514	2.7
145.10049	2.2
147.04396	3.2
147.11673	2.1
149.09567	3.4
149.13181	5.8
159.04388	51.2
159.11693	4.3
160.04742	1.5
161.13251	3.4
162.06808	1.5
163.03871	1.8
167.14299	1.1
171.08034	1.4
173.02168	1.1
173.05972	2.3
173.64020	0.9
175.03963	1.8
175.14754	1.5
177.12738	6.8
178.13507	8.0
179.14281	58.7
185.05975	4.1
187.07550	4.7
191.03395	10.1
197.06078	1.0
199.07542	2.8
201.09064	12.3
202.09450	1.2
203.03384	7.4
211.11389	1.1
213.09105	2.7
217.04945	2.0
227.07089	1.2
231.02849	100.0
232.03192	4.6
245.04567	1.5
245.08047	1.2
257.04309	5.7
259.06000	8.3
267.78366	1.1
271.05997	1.5
273.07532	45.9
274.07962	1.9
285.07556	9.1
299.09128	1.4
325.10681	3.3
339.12054	1.1
351.15771	1.4
351.20459	1.1
369.16580	1.7
379.15326	3.5
397.12415	2.8
397.16806	7.8
397.35031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1275
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
53.03928	0.6
55.01855	2.3
55.05505	2.7
56.96559	0.6
57.03421	0.7
62.26937	0.6
67.05499	5.5
68.99770	1.1
69.03397	0.7
69.07063	3.6
71.61784	0.7
71.62171	0.8
79.05490	4.4
81.03412	0.7
81.07050	6.2
83.04959	1.5
83.08610	0.8
85.02856	0.7
89.64270	0.5
91.05450	1.9
93.07023	2.0
95.04953	1.5
95.08588	1.8
96.78542	0.5
97.02853	0.9
97.06532	5.4
105.06998	1.5
107.04931	1.3
107.08568	2.1
109.06502	0.9
109.10143	3.3
111.08092	0.8
117.06988	0.9
117.43542	0.6
119.08548	1.7
121.10108	1.3
123.11658	0.5
124.05582	0.6
125.09624	1.1
131.08530	1.5
133.10143	0.9
135.04416	1.1
135.11664	0.9
137.02316	19.7
143.08543	0.9
144.05717	0.7
145.06427	0.7
145.10149	0.9
147.04381	3.0
149.02321	5.3
149.13214	0.9
150.03127	2.9
159.04385	7.2
159.11647	0.7
161.09685	0.7
163.03894	2.1
171.07986	0.6
173.05965	0.8
173.11765	1.2
173.13206	0.7
177.12762	1.1
179.14398	0.7
179.69518	0.6
185.05981	1.3
187.03835	2.8
187.07428	1.1
188.04674	0.8
189.05455	3.9
191.03450	1.6
200.04681	4.3
201.05455	1.3
201.09077	2.5
203.03426	1.0
211.03885	2.9
212.04674	2.4
213.05415	1.8
215.03403	7.6
215.07014	1.6
217.04828	0.8
219.83116	0.6
224.04666	1.6
225.05344	0.7
227.07022	1.0
228.04199	4.2
229.05052	2.7
231.02866	15.2
239.03326	6.1
240.04179	2.8
241.04909	1.6
243.06500	10.6
255.06523	2.8
257.04437	7.0
259.05905	0.7
267.02924	0.8
268.03708	3.5
269.04514	4.4
270.05341	0.6
271.03101	0.4
271.05948	13.1
273.07535	10.2
283.05975	2.4
285.03900	29.3
286.04596	7.4
297.04007	1.0
297.07593	1.5
299.05432	6.0
300.06247	5.9
301.06943	6.7
307.05905	1.0
311.05484	1.4
319.09647	0.7
321.07376	1.1
335.09146	0.8
337.06836	1.5
364.09482	0.9
379.11636	8.3
379.15155	0.5
397.12756	100.0
398.13120	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	397.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.3
53.20292	0.4
55.01842	0.9
55.05503	4.8
57.03428	4.1
57.07045	0.4
61.54748	0.4
65.03910	0.7
67.05495	13.9
69.03396	1.0
69.07019	1.8
71.01341	3.3
71.04948	1.3
71.62071	0.6
78.04737	0.4
79.05483	9.7
81.03389	0.7
81.07042	11.3
83.04975	4.0
83.08597	0.8
85.06510	0.7
91.04953	0.6
91.05466	8.6
93.07035	8.4
95.04964	2.3
95.08087	0.4
95.08592	4.5
97.02882	0.5
97.06467	1.8
97.10162	0.5
103.05435	1.2
105.07014	3.7
107.04269	0.5
107.04941	8.1
107.07939	0.4
107.08585	5.9
109.06515	3.8
109.10142	4.7
111.07448	0.4
111.08069	5.3
115.05400	1.0
117.07009	3.0
119.04927	4.3
119.08569	3.8
121.06458	1.0
121.10132	2.6
123.08007	1.9
123.11676	1.1
124.05188	0.8
125.05942	0.9
125.09589	1.9
128.06198	0.6
129.06961	0.9
131.04875	1.4
131.08563	3.7
133.06369	0.7
133.10068	1.8
134.03566	0.5
135.04384	0.9
135.08005	1.6
135.11646	1.7
137.05934	0.6
137.09557	0.7
139.11122	1.6
143.08450	0.7
145.02786	1.1
145.06454	1.8
145.10121	1.2
147.04384	3.8
147.07968	0.5
149.09579	3.5
149.13229	2.6
152.04564	0.6
153.01764	0.5
153.06897	0.5
157.06500	0.5
157.10078	0.4
159.04395	48.7
159.11702	2.5
160.04903	1.6
160.12419	1.1
161.05971	0.8
161.13210	2.0
162.06700	1.3
163.03914	2.0
163.11143	0.9
165.06978	0.4
167.05756	0.6
167.07036	7.7
169.06453	0.6
171.07993	1.5
172.05118	1.0
173.05942	1.3
173.11685	1.0
175.03868	1.5
177.12735	5.0
178.13524	3.3
179.14291	15.6
185.02301	0.7
185.05965	1.3
187.03888	0.8
187.07516	4.2
187.13260	0.6
189.05435	0.8
191.03366	9.5
197.06027	0.5
199.03845	0.8
199.07483	1.5
200.04659	0.6
201.09082	11.4
202.09387	0.5
203.03398	8.3
211.07489	0.5
213.09071	0.9
213.16577	0.4
217.04956	3.6
221.04172	0.4
225.05452	0.6
229.08458	0.6
231.02853	100.0
232.03148	3.3
243.06525	1.2
245.04343	0.9
245.08072	0.7
255.06476	0.9
257.04401	2.3
259.05978	6.1
261.07462	0.7
271.06000	0.9
273.07550	58.8
274.07922	2.2
285.07590	4.1
287.08899	0.6
325.10669	1.5
339.12012	0.7
351.16190	0.6
379.15408	3.1
397.12573	3.6
397.17047	8.7
397.26050	2.4
398.12637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1276
Annotation	Velloquercetin 3,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.44975	0.3
55.01859	0.6
55.05507	0.8
57.03428	0.7
57.22322	0.3
59.88615	0.3
65.42143	0.5
67.05493	2.7
69.03403	0.6
69.07060	3.2
69.85049	0.7
69.85455	1.2
73.02901	0.4
74.14250	0.3
79.05489	4.1
81.07059	1.9
82.94309	0.3
83.04986	0.5
83.08611	0.4
85.06520	0.3
85.08829	0.3
91.05480	0.8
93.07027	0.4
95.04927	0.6
95.08570	0.7
97.02859	0.3
97.06518	21.0
97.10152	0.5
101.33695	0.3
105.06984	0.7
107.04934	0.5
107.08616	0.7
109.06466	0.4
109.10135	1.2
112.61632	0.3
119.04933	0.5
119.08545	0.6
121.06441	0.3
123.04377	0.4
128.06174	0.4
129.07063	0.4
130.45370	0.3
133.10118	0.5
134.03671	0.6
135.08029	0.3
135.11743	0.4
137.02325	9.4
137.05911	0.5
139.03880	0.3
144.05655	0.6
145.10156	0.5
147.04398	1.3
147.11667	0.4
149.02310	1.4
150.03067	2.4
155.04868	0.4
159.08055	0.4
159.11659	0.4
163.03879	0.7
169.10208	0.4
171.04367	0.5
172.05156	0.6
173.06023	0.6
175.07574	0.4
184.05292	0.5
185.06000	0.5
187.03867	1.6
189.05458	1.3
197.06096	0.3
200.04663	5.6
201.05479	0.9
211.03917	1.9
212.04657	1.2
213.05408	1.4
215.03352	2.2
215.07018	1.0
225.05441	0.4
226.06209	0.5
227.07027	1.1
228.04147	4.7
229.04898	0.9
230.05788	0.4
231.02898	0.8
238.06052	0.5
239.03386	3.9
239.06998	0.5
240.04103	1.0
241.04921	0.9
243.06494	6.5
253.04852	0.8
254.05711	1.0
255.06555	1.5
256.03751	1.9
257.04523	1.5
258.05115	0.4
266.05801	0.7
267.02878	0.7
268.03604	3.5
269.04434	3.2
269.08026	1.8
271.05981	12.4
272.06351	0.4
273.07477	0.8
283.05975	1.9
284.03079	0.4
284.06500	0.4
285.03928	4.5
285.07034	0.6
286.04684	11.5
293.04541	0.5
293.08038	0.4
295.06012	0.6
297.07538	10.9
298.07767	0.3
299.05438	6.0
300.06149	1.7
301.07019	5.2
310.08417	0.7
311.05542	3.3
323.05396	0.8
325.10544	2.3
335.09100	0.5
337.07138	0.5
338.07797	1.0
353.10080	4.5
379.11649	0.9
382.10446	2.3
397.12769	100.0
398.13095	4.9
422.72629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86361	0.4
53.03936	0.9
55.01870	0.6
55.05505	1.8
57.03426	0.5
65.03938	1.3
67.04237	5.9
67.05495	2.0
69.03420	6.0
69.07060	5.1
70.06601	0.5
71.04967	2.2
71.17333	1.5
78.86921	0.6
79.05486	4.0
80.05010	1.1
81.07049	3.8
82.06569	100.0
83.04978	9.1
83.07336	1.2
85.02879	1.0
86.74820	0.5
88.03983	1.7
91.05461	4.5
93.07046	4.1
95.04964	2.1
95.08601	0.7
97.02890	1.0
97.06511	11.2
98.06056	0.7
100.06948	1.1
100.07606	21.2
105.07018	18.3
107.04919	1.5
107.08585	5.5
109.06521	2.7
110.05991	0.8
111.04396	0.6
115.05450	0.6
117.07006	2.9
119.04922	1.9
119.08562	2.3
121.06483	6.3
121.10134	0.7
123.08064	0.8
125.05116	0.9
125.05986	12.8
126.05495	2.1
128.07059	80.1
129.07257	0.7
131.08553	4.1
133.06456	1.6
133.10083	0.9
135.11716	0.7
137.05937	2.7
143.07005	6.1
143.08543	1.4
144.09247	0.6
145.02829	1.5
145.06439	2.2
145.10104	20.1
146.08118	11.6
146.10484	1.0
147.04398	3.8
147.08029	0.9
147.11673	1.1
151.07539	1.6
155.08537	1.0
157.06445	0.8
157.10188	0.7
158.07216	3.3
159.08003	1.6
159.11702	6.0
163.11157	2.9
169.10127	1.0
171.07965	0.7
172.08711	1.0
173.09587	10.8
177.05453	1.9
177.12729	1.5
187.11169	9.4
189.12778	0.7
191.10718	3.7
197.09569	1.1
205.12172	6.6
215.10628	7.7
233.11803	3.2
233.13768	0.7
241.11749	0.8
251.12788	0.7
308.18469	0.7
334.19983	1.2
352.21222	1.0
378.18951	0.8
396.20111	45.3
397.09286	0.6
397.12018	0.6
397.20416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01852	1.5
55.05496	2.1
56.30987	0.5
65.03931	1.5
67.04238	5.3
67.05487	1.9
69.03423	6.8
69.07056	8.5
70.06576	1.0
71.04977	2.9
71.62367	0.7
73.06554	1.1
79.05487	6.3
80.04999	2.1
81.03393	0.7
81.07050	2.7
82.06569	100.0
83.04966	14.0
83.05473	0.6
83.06905	0.8
83.07351	1.4
84.08128	0.6
88.04001	1.7
91.05460	5.1
93.07026	3.5
95.04955	2.5
95.08588	1.2
97.02885	1.2
97.05880	0.7
97.06516	16.6
99.04450	2.2
100.07603	19.4
101.06039	0.9
103.05476	0.8
105.04488	0.6
105.07020	15.2
107.04952	2.4
107.08577	5.4
109.06506	3.3
111.04442	0.6
117.07014	2.5
119.04929	1.0
119.08594	2.3
121.06483	12.0
125.05978	28.2
125.69113	0.5
128.07060	60.6
129.07034	0.7
130.07788	1.6
131.04913	0.5
131.08556	4.9
133.06445	3.6
133.10139	1.4
135.08046	0.8
135.11713	0.8
137.05949	5.8
141.06956	0.8
143.07019	12.4
143.08598	1.3
144.09297	0.6
145.06488	2.3
145.10106	21.7
146.08119	2.6
147.04366	2.2
147.08138	0.8
149.05986	0.9
149.57253	0.5
151.07501	3.4
154.07719	0.7
155.08575	1.5
157.10153	0.6
158.07259	3.0
159.08032	3.0
159.11665	8.3
161.06091	0.6
163.07602	0.8
163.11147	2.6
169.10120	1.2
172.08867	1.6
173.09601	19.6
175.07423	0.8
177.05518	0.6
177.12746	1.7
179.08588	0.8
182.07236	0.9
187.11150	14.0
187.12715	0.9
189.12648	0.8
191.10652	5.5
197.09654	1.3
198.06711	0.7
205.12210	9.3
209.11650	0.6
213.09085	0.9
215.10655	12.2
216.82553	0.7
225.09108	0.6
229.08554	0.7
232.09758	0.6
233.11719	4.9
243.10153	1.0
273.11230	2.0
292.07214	0.9
307.09650	0.6
322.07806	0.8
327.08060	0.6
335.04852	0.5
336.09042	1.2
350.07492	0.9
352.87344	0.6
364.05743	0.7
368.08627	1.0
396.20132	46.9
397.08783	1.3
397.16336	2.9
397.20734	1.8
411.88077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01858	5.3
57.03432	2.9
61.02911	3.3
62.06080	100.0
68.99779	2.6
69.03407	16.5
70.01030	2.2
70.06578	3.6
70.23860	4.4
70.24272	8.2
71.04977	3.9
73.02898	4.7
81.03426	11.7
85.02892	53.2
87.00816	19.0
95.04978	2.3
97.02883	21.7
99.04428	8.1
105.01846	28.3
109.02844	13.9
127.03902	36.7
131.04962	2.4
142.28979	2.2
145.04967	18.7
147.04347	5.1
153.06941	4.0
157.06406	2.1
159.02878	10.0
159.08005	2.7
161.05949	6.3
162.06712	4.1
169.10030	3.0
170.07191	2.9
173.05989	16.6
176.08351	2.7
177.05484	4.0
179.08698	4.8
181.06448	3.1
181.10101	3.0
185.05968	4.3
187.07523	11.4
188.08295	59.0
189.05452	3.7
197.05812	3.3
197.09561	6.2
199.07576	4.6
201.09082	6.8
203.07025	4.2
204.06581	3.1
205.04962	2.5
206.09372	4.6
209.09583	8.2
211.07497	8.6
213.03799	2.8
215.07008	9.4
222.07599	2.3
225.05531	3.2
225.09061	15.7
225.10970	2.6
227.06984	2.8
227.10632	4.7
229.05003	3.5
231.04973	12.2
232.40565	2.4
235.07399	3.9
237.08942	2.4
243.06433	7.0
243.10300	3.0
249.05936	2.6
253.08586	16.6
255.10356	4.9
263.07074	2.4
271.09564	11.7
281.08063	21.1
287.09100	4.0
289.10712	3.4
299.09116	19.7
317.10156	9.5
329.71698	2.3
335.11258	8.9
396.17111	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	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.9
57.07072	25.5
57.07328	4.3
67.05502	29.1
69.07056	36.8
70.91174	7.3
71.08630	17.3
75.32619	2.2
79.05483	16.6
80.34470	2.6
81.07048	79.4
83.08627	15.4
85.10155	10.9
91.05477	31.8
93.07043	23.2
95.08586	40.7
97.10148	14.8
105.07027	42.1
107.08570	22.9
109.10146	23.2
111.11709	6.7
117.06985	25.0
119.08566	16.6
121.10117	12.6
123.11670	10.2
125.13219	3.1
129.07013	6.3
130.07735	3.8
131.08545	30.4
133.09169	4.5
133.10106	43.4
135.11685	4.4
137.13226	3.3
141.82777	2.7
142.07823	2.6
142.92503	2.2
143.08527	5.7
144.09256	2.8
145.10094	62.4
147.11665	33.1
149.13255	6.7
157.10101	17.3
159.11667	52.4
161.13283	12.5
163.14772	5.3
171.11658	7.0
173.13229	19.1
175.14813	4.2
183.11601	3.1
185.13239	9.5
187.14758	8.5
189.16466	3.1
199.14819	9.3
201.16365	4.7
213.16399	6.2
215.17841	3.1
227.17970	6.2
241.19487	5.6
247.24118	5.6
248.36172	2.8
255.21060	6.9
275.27225	2.9
343.98318	2.5
395.36688	100.0
396.37003	7.8
417.20978	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	396.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01857	7.4
55.60017	1.5
57.03424	7.4
59.77662	1.3
61.02910	4.5
68.99777	3.7
69.03420	30.3
71.04974	4.9
72.48913	1.4
73.02896	7.5
76.78874	1.5
81.02956	2.4
81.03404	26.1
85.02893	100.0
86.09669	1.8
87.00819	40.0
87.04464	2.0
95.04971	1.7
97.02878	43.8
99.04438	15.9
103.03865	1.5
105.01855	68.4
109.02185	2.3
109.02868	31.1
113.05975	2.3
117.01803	3.2
119.04901	1.7
127.03900	87.2
129.01799	3.9
131.06960	2.2
134.05956	7.2
136.07579	3.1
145.04947	44.0
147.02814	2.7
147.04358	3.7
148.07571	2.0
155.99034	1.6
159.02875	19.8
159.04079	2.4
162.05530	1.8
176.07034	2.3
189.03955	2.9
204.06552	3.3
213.03946	3.4
217.52876	1.3
226.62459	1.4
231.04968	27.7
247.12096	1.3
249.06007	7.2
353.08490	2.9
363.47858	1.4
397.07260	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	396.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03414	1.5
62.06080	100.0
63.06423	0.9
68.99802	1.2
69.03425	1.4
69.24658	0.8
69.88791	3.3
69.89207	1.9
70.06586	1.3
71.40520	0.8
79.05467	1.0
84.04498	1.7
84.08121	1.0
85.02889	1.5
88.21784	0.7
91.05476	1.2
97.02864	2.0
103.05473	1.2
115.05459	0.9
116.07056	0.8
117.03401	0.8
117.06976	1.3
119.04913	0.9
121.02855	1.8
123.04350	1.3
129.07025	1.6
131.04903	1.8
133.02777	0.8
133.30296	0.8
136.07558	2.3
137.05960	1.9
141.07028	2.2
142.07700	1.1
144.05652	1.0
145.02843	1.5
145.06441	1.5
145.10098	0.7
146.05988	1.4
147.04359	3.1
148.05229	0.8
149.05983	1.0
152.06213	1.1
153.06993	2.3
157.06534	1.1
157.10147	0.9
159.04411	3.2
159.08040	2.6
161.05960	3.6
162.06689	2.6
163.03920	2.0
165.06985	1.7
166.07712	1.3
169.06479	2.5
169.10056	1.0
170.07245	2.0
171.08002	1.4
173.05963	20.8
175.03815	0.9
175.07434	0.9
176.08310	2.5
177.05473	4.2
179.08513	4.3
181.06496	3.4
181.10112	4.6
183.08008	1.6
185.05931	2.8
186.06741	1.1
187.03886	1.9
187.07530	15.1
188.08305	76.0
189.05435	2.6
189.07063	1.1
189.08733	2.9
191.03331	0.9
192.10237	1.0
193.10095	1.0
194.07390	1.1
195.08020	2.3
197.05977	3.2
197.09651	3.1
199.07507	3.4
201.09070	2.9
203.06889	4.2
204.06528	2.0
205.04956	3.3
206.09338	4.7
207.07977	4.3
209.09593	7.4
210.06624	1.6
211.07547	3.0
213.05435	1.3
213.09024	1.7
214.06216	0.9
215.03342	1.4
215.07024	5.4
215.10600	2.1
217.08440	0.9
225.05498	2.8
225.09081	17.2
226.09364	1.2
227.07057	2.0
227.10672	3.2
229.04939	2.7
233.04428	1.9
235.07492	4.4
237.09085	5.0
237.12321	1.5
241.08611	1.2
243.02780	1.4
243.06552	4.6
243.10143	4.7
245.07945	1.0
245.11856	1.1
251.06871	1.2
253.08557	28.2
254.08951	1.2
255.10159	6.9
261.03906	7.8
263.07034	2.6
269.08127	1.2
271.09674	10.6
273.07697	1.3
281.08047	35.8
282.08463	1.9
287.09119	3.6
289.10602	3.1
293.08231	1.0
299.09125	23.9
300.09485	1.7
317.10178	7.7
335.11215	29.2
336.11465	2.3
368.08435	1.4
379.07928	3.8
396.16681	6.7
397.09085	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	395.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
55.05507	10.6
57.03425	1.6
67.05518	7.3
69.03421	2.1
69.07056	5.2
69.90273	2.9
69.90690	5.8
71.04973	2.4
79.05488	9.9
81.07049	9.7
83.04972	1.7
83.08613	11.0
83.57358	1.1
85.06529	1.4
91.05470	5.4
93.07046	3.3
95.04972	3.3
95.08585	4.3
97.02858	1.5
97.06519	21.5
97.10156	2.8
105.07020	4.5
107.08566	2.0
109.10197	1.5
115.05460	1.8
117.06990	2.8
120.58120	1.2
123.04416	1.8
123.08037	1.4
125.09590	1.4
127.03876	1.6
129.06993	3.3
131.04900	1.7
131.08586	1.7
135.08058	1.1
137.05908	1.2
141.06967	7.5
141.83960	1.4
143.08470	1.9
145.06445	1.9
145.10088	2.4
147.04395	4.4
152.06169	4.4
153.06953	14.2
155.08528	12.9
157.06477	1.6
159.11687	1.2
160.05208	3.4
161.06003	1.5
161.09761	1.1
165.06981	32.4
167.04855	1.5
167.08536	12.3
168.05647	6.4
169.06456	6.9
171.04428	2.3
172.05110	2.2
173.06007	12.4
174.06679	2.2
177.06990	2.8
178.07703	2.0
179.08534	5.4
180.05638	1.6
181.06461	31.9
182.07225	4.3
183.08037	18.0
185.05951	6.2
185.09708	1.4
186.06726	6.5
187.07533	2.4
188.08313	3.6
189.07024	4.5
190.07784	3.2
191.04990	1.5
191.08568	6.2
193.06425	19.2
193.10120	1.9
194.07181	3.9
195.08022	18.5
196.08841	1.4
197.05942	14.4
198.06679	10.9
199.07516	18.6
200.08232	1.6
202.07796	1.9
203.08566	1.7
204.09435	1.5
205.06488	8.7
205.10254	2.8
206.07153	1.6
207.08032	10.0
209.05943	21.6
209.09674	2.3
210.06737	21.7
211.07515	86.2
212.08214	4.5
213.05524	4.8
213.09073	22.7
214.09819	3.2
215.08665	1.7
217.06511	2.6
218.07259	3.4
219.08081	12.2
220.08698	2.8
221.05919	9.5
221.09589	3.4
223.04022	1.2
223.07506	23.1
224.08202	5.7
225.05505	8.1
225.09138	7.4
227.07028	3.3
227.10616	1.4
231.08086	3.0
232.08902	2.1
233.06003	3.7
233.09633	6.4
234.06740	4.5
235.07486	9.2
236.08310	2.2
237.05414	26.8
237.09016	11.1
237.12733	2.1
238.06190	3.8
238.09790	2.6
239.06937	17.3
239.10710	1.8
240.07591	1.8
240.11499	2.2
241.04929	13.0
241.08586	1.4
244.08745	1.2
245.09688	2.3
247.07544	9.1
247.11113	1.4
248.08380	3.8
248.11966	3.0
249.05351	1.7
249.09132	4.3
250.06258	4.1
250.09959	1.4
251.06992	11.7
251.10611	3.9
253.05110	2.1
253.08533	2.4
254.12999	1.3
255.06400	12.9
255.13934	1.6
256.14557	21.7
257.13120	2.1
259.11169	1.7
261.05307	1.5
261.09222	2.2
262.09753	1.6
263.07019	5.0
263.10657	1.5
264.07724	1.1
264.11411	1.3
265.04950	9.5
265.08636	4.1
265.12256	2.9
266.05661	1.4
266.13007	28.6
267.06445	16.1
271.11252	2.1
275.07016	3.5
275.11292	1.3
275.14377	5.2
277.08521	2.4
277.12280	3.6
277.15811	1.7
278.05930	1.9
279.06497	14.0
279.09589	1.7
279.11053	1.6
279.13730	7.6
281.08212	2.9
281.11777	1.3
283.05978	100.0
284.06418	1.7
284.14041	43.4
285.12827	4.1
289.08792	2.1
289.12210	4.4
291.06467	3.1
293.08124	3.9
293.15195	10.5
295.06100	1.4
295.13654	1.6
297.07501	2.9
303.13693	9.8
305.15427	3.6
307.09802	2.2
307.13287	4.7
309.07562	4.3
313.12173	4.6
317.11710	1.3
321.07465	1.8
321.14813	57.7
322.15207	2.0
323.09085	3.2
323.12906	1.4
323.16473	4.1
325.14444	5.1
331.13165	13.1
333.14709	1.6
335.08875	1.7
335.12643	2.8
339.15994	8.5
341.11899	2.1
349.14301	44.3
350.14850	3.5
351.12177	2.0
351.15994	2.9
353.13556	1.6
359.12643	11.2
367.08292	2.6
367.15411	19.6
377.13800	49.8
377.18649	2.8
378.14047	2.4
395.14908	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1487
Annotation	Grandiuvarin C
Peak:m/z	Relative Intensity
53.03928	1.5
54.29022	0.6
55.01874	2.9
57.03406	2.1
65.03934	1.0
67.05476	2.7
69.03409	1.3
69.07062	6.1
71.08605	1.9
77.03925	0.7
79.05486	11.6
80.06266	0.8
81.07024	1.6
83.05022	0.8
84.33360	0.5
91.05465	2.6
93.06989	1.1
95.04956	2.2
96.05682	0.6
97.06519	66.4
98.06853	1.3
103.05463	0.9
105.04513	0.7
105.07004	2.8
107.04949	1.4
108.05711	1.5
109.06513	0.8
115.05440	1.7
117.06997	0.6
119.04939	1.5
119.08549	1.5
121.06467	2.4
123.04417	0.9
124.05192	2.3
128.06146	1.4
129.06975	2.1
131.04903	1.3
131.08521	0.9
133.06456	1.9
135.04367	1.9
136.05144	1.3
139.07529	6.4
141.06946	2.8
142.07738	2.0
143.04910	0.8
143.08560	1.6
144.05663	1.3
145.06406	1.6
147.04391	5.3
147.08031	2.4
148.05196	1.2
149.05945	1.1
151.07494	6.8
152.06148	2.9
153.05574	0.7
153.06972	1.1
155.07034	1.8
155.08484	1.4
157.06461	1.3
157.10040	1.1
158.07266	1.2
159.04405	7.2
159.07961	0.9
161.02319	2.1
161.05963	3.4
161.09558	0.7
162.06729	2.0
163.03917	0.8
165.05682	0.7
165.06924	2.9
165.09071	0.7
166.07745	2.0
167.06998	8.7
167.08537	4.3
168.05699	0.8
169.06447	4.5
170.07285	5.6
171.07986	2.3
173.05966	3.4
175.03830	1.2
175.07452	1.0
176.04672	1.3
177.05446	4.6
178.06203	1.0
178.07750	1.5
179.07040	9.3
179.08533	1.9
180.09300	0.6
181.04999	0.8
181.06456	2.9
181.10030	0.9
182.07169	1.5
183.08052	1.9
184.05225	0.8
185.06009	1.9
185.09578	2.2
187.03836	0.8
187.07510	2.2
188.08308	7.9
189.05403	1.0
189.09090	4.8
191.06999	9.4
192.07788	12.9
193.08539	3.5
193.10132	1.0
194.07201	1.2
195.08035	37.1
196.08682	1.7
197.05960	2.7
197.09615	2.2
198.06735	17.6
199.07465	1.8
201.08992	1.1
203.06987	8.8
207.07990	2.8
208.08661	1.1
209.09613	3.1
210.06685	1.9
211.07576	4.8
212.08244	1.7
213.09076	100.0
214.09450	2.7
215.10519	1.0
219.06485	1.6
220.07272	2.3
221.09523	2.9
223.07448	4.9
223.11249	1.7
224.08165	1.2
225.09087	7.0
226.06287	0.7
227.07080	1.4
227.10583	2.0
229.08553	1.4
235.07515	1.5
237.09045	2.2
239.07011	1.7
240.11491	1.0
241.08540	8.9
249.08986	0.8
251.07022	1.7
251.10603	0.8
253.08563	3.5
255.06613	0.6
255.10072	1.0
257.07956	1.2
263.10651	0.9
265.08722	1.0
265.12201	1.9
266.13004	2.1
267.06561	2.1
267.10138	2.0
269.08038	1.5
271.09641	0.9
277.11984	0.7
279.06458	0.9
279.13776	1.0
281.08063	2.9
281.11697	2.1
284.14041	12.8
285.14441	0.7
295.09613	2.6
297.07495	1.3
299.09149	2.4
305.11554	0.8
307.09613	0.9
307.13297	1.2
308.13831	1.0
309.07584	2.5
309.11166	2.8
321.11441	1.0
321.14749	4.1
323.12772	2.8
323.16400	2.8
324.12326	0.7
331.08005	1.1
335.12799	2.2
349.14456	3.1
351.12256	4.3
351.15912	1.0
352.96280	0.6
353.10040	0.8
353.13953	3.3
367.15350	6.1
377.13773	6.6
395.14838	51.2
396.15210	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1486
Annotation	Grandiuvarin C
Peak:m/z	Relative Intensity
53.03928	0.8
55.01862	0.4
60.50676	0.3
67.05475	0.8
69.07052	0.6
70.88736	0.8
70.89136	0.9
79.05482	2.8
81.07027	1.4
83.04949	0.5
91.05450	2.5
93.07049	0.6
94.04166	0.7
95.04935	1.8
97.06520	3.8
103.05415	1.0
103.42804	0.4
105.03385	0.8
105.07000	1.8
107.04908	1.3
107.08569	0.7
108.05714	1.5
109.02879	0.6
109.06505	1.5
115.05438	1.1
117.06979	0.6
119.04931	1.1
119.08552	0.9
121.06481	1.5
122.03602	0.5
123.04433	0.5
124.05198	2.6
125.05950	0.9
127.78014	0.4
128.06177	1.2
129.06949	1.9
131.04877	0.8
131.08586	0.8
133.06465	1.7
135.04401	1.9
136.05156	0.8
137.05940	0.6
139.07512	7.6
141.06958	1.3
142.07794	2.3
143.08514	1.1
145.06454	1.2
145.08456	0.5
147.04381	4.5
147.08000	2.9
148.05118	1.3
148.81934	0.4
149.05975	0.5
150.06857	0.6
151.07512	6.9
152.06232	1.4
153.05467	0.7
154.07780	0.4
155.07005	1.8
155.08362	0.7
157.06444	0.7
157.10114	0.6
159.04431	5.9
159.08000	0.9
161.02327	1.5
161.05920	3.6
162.06693	1.7
163.03903	1.1
163.07379	0.5
165.06908	1.2
165.09079	1.4
167.07047	7.9
167.08545	1.5
169.06419	4.2
170.07254	5.6
171.04396	0.8
171.07956	1.8
173.05945	1.4
175.03853	0.8
175.07545	0.8
176.04680	1.4
177.05428	4.1
178.06215	1.7
179.07016	9.1
181.04961	1.0
181.06448	0.8
183.08069	0.6
184.05225	0.5
185.05904	1.8
185.09512	2.2
187.07411	0.7
189.05486	1.0
189.09076	4.9
191.07007	8.8
192.07793	15.2
193.08598	3.3
194.07256	0.5
195.08031	33.6
196.08408	0.9
197.05899	1.5
198.06728	18.3
199.07346	0.8
201.09097	0.5
202.06172	0.4
203.06989	9.4
205.04976	1.0
209.05876	0.4
211.07515	1.0
213.09070	100.0
214.09436	3.0
215.10695	0.6
219.06413	1.8
220.07320	2.0
223.07523	1.4
225.09120	0.6
226.06213	0.5
229.04858	0.6
229.08585	1.4
241.08563	8.6
251.06937	0.7
283.05963	0.6
321.11197	0.9
331.08597	0.5
335.12949	0.7
349.09918	0.7
349.14270	0.8
351.12283	0.6
363.08676	0.8
364.12933	0.9
367.15439	3.2
377.08997	0.5
377.13828	1.4
395.10101	2.4
395.14825	41.1
396.15094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.56697	0.9
55.01859	1.5
55.05492	2.6
56.06697	0.9
57.03440	0.9
65.03957	0.9
67.05480	3.4
69.07044	3.8
69.59617	7.7
79.05483	10.4
80.06252	1.8
81.07061	4.4
83.04961	2.6
91.05468	4.4
95.01235	1.0
95.04942	2.6
95.08586	1.2
97.06512	11.3
105.07030	2.0
107.04922	1.4
108.05735	1.6
109.06489	1.9
115.05440	1.9
119.04906	2.7
119.08502	1.5
121.06496	1.8
123.04443	1.3
124.05180	2.2
128.06200	2.2
129.07001	2.1
131.04871	1.6
131.08551	2.4
133.06432	1.3
133.10056	1.0
135.04430	1.7
136.05161	1.2
136.24339	0.8
137.61975	0.9
139.07530	8.7
141.06992	2.1
142.07724	3.0
143.08600	1.2
145.06430	2.4
145.10083	0.9
147.04396	6.6
147.08034	2.6
147.11760	0.9
148.05174	1.9
149.05923	1.4
151.07549	7.9
152.06129	2.1
153.06946	3.5
155.07001	1.1
155.08643	1.4
157.06477	1.4
157.10109	1.2
159.04405	6.5
159.07962	1.1
161.02277	1.4
161.05946	3.4
161.09489	1.3
162.06755	1.3
163.03886	1.3
163.07458	1.2
165.06927	4.1
165.09149	1.0
167.07007	7.5
167.08545	4.4
168.05730	1.6
169.06438	5.3
170.07256	7.2
171.07986	1.3
173.05916	1.7
175.03809	1.5
175.07571	1.3
176.04652	1.7
177.05481	4.9
177.06805	1.1
178.06223	3.0
179.07034	11.8
179.08473	1.6
179.60391	0.9
181.05051	1.1
181.06445	4.4
181.10101	2.0
183.08047	2.6
184.05080	1.0
185.05928	2.9
185.09590	2.6
187.03906	1.2
187.07570	3.4
188.08327	1.8
189.09070	6.6
190.77693	0.9
191.07014	11.2
192.07768	13.6
193.08533	3.6
195.06621	1.4
195.08034	35.0
196.08533	1.5
197.05971	2.9
197.09531	1.5
198.06741	18.8
199.07503	3.3
203.06985	10.0
207.08131	1.0
209.06001	1.5
209.09583	3.1
210.06767	1.3
211.07393	4.3
211.11131	1.4
212.08279	1.5
212.54117	0.8
213.09074	100.0
214.09476	2.7
215.03384	1.0
219.06424	1.7
220.07262	1.7
223.07547	3.5
223.11075	1.1
224.08405	1.2
225.09091	3.9
227.10649	1.5
229.08585	1.8
235.07532	1.2
237.05495	1.0
237.09084	1.7
241.05016	1.5
241.08672	7.3
251.10527	1.1
252.07683	1.2
253.08620	2.1
253.12144	1.2
255.10214	2.3
265.12244	1.4
266.12991	3.7
269.08115	3.4
271.09683	1.1
281.08328	1.2
281.11719	6.4
283.05853	1.4
284.14056	5.6
299.09128	1.9
303.13956	1.4
309.11044	1.2
316.05804	1.2
316.39526	0.9
321.11005	1.4
321.14700	1.2
323.16302	4.3
327.08517	2.3
331.08228	2.9
331.13538	1.0
335.12762	1.9
349.09848	1.2
349.14478	3.3
353.10229	2.3
367.15298	4.8
377.09448	1.4
377.13583	4.7
386.92496	0.9
395.10333	3.4
395.14865	49.4
396.15305	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	395.112
Annotation	Justicidin C
Peak:m/z	Relative Intensity
55.01858	0.4
55.53810	0.4
57.03165	0.4
57.03427	5.3
68.99762	1.4
69.07041	0.7
71.08229	0.4
71.08589	0.9
79.05472	1.6
84.03553	0.4
85.02943	0.5
95.04916	0.4
97.02927	0.4
97.06514	13.3
107.75335	0.4
112.01572	0.5
128.06198	0.6
129.06985	1.0
131.04898	0.5
141.06943	1.1
152.06174	0.7
153.01799	11.3
153.06975	1.4
154.07764	0.5
154.87592	0.4
155.04901	0.6
155.08528	3.7
159.04262	0.4
165.06990	1.9
167.08455	1.1
168.05612	0.6
169.06433	0.9
178.07758	0.6
179.08588	1.0
181.06436	1.7
182.07193	0.5
183.08023	2.1
187.07458	0.6
188.08307	1.4
189.06923	0.5
190.07770	0.7
191.08546	0.6
192.05624	0.5
193.06400	0.8
193.10173	0.6
194.07144	0.6
195.08011	0.8
197.05908	0.8
198.06673	0.6
202.07758	0.5
203.08553	0.6
205.06544	1.3
205.10014	0.6
205.31128	0.4
207.08003	0.5
209.05994	0.7
210.06740	0.7
211.07565	2.1
213.09113	1.5
215.08542	1.0
215.10628	1.7
217.10315	0.6
219.08011	1.5
221.05914	0.9
221.09564	1.0
223.07509	1.0
225.09096	1.6
233.06006	0.6
233.09518	1.9
234.06725	0.6
235.07520	0.9
237.05498	1.3
237.09102	0.9
239.07022	0.7
243.08115	1.1
247.07532	0.5
249.05263	0.5
249.09143	1.1
250.06203	1.8
251.07051	1.5
253.08508	1.2
261.05460	1.6
261.08969	2.3
262.06165	0.8
263.06970	1.0
263.68311	0.4
264.07736	1.2
265.08624	2.1
266.05713	5.9
266.13095	0.6
267.06451	4.3
267.09167	0.6
269.08124	0.6
271.07462	0.8
274.06155	0.9
275.06992	1.3
277.08643	0.6
278.05737	3.3
279.06473	6.8
279.10117	2.1
280.07172	0.9
281.08121	0.7
283.09592	3.9
284.14053	2.7
289.05283	0.7
289.08566	3.6
290.05649	4.6
290.08667	0.6
291.06436	1.8
291.10117	1.2
292.07254	1.6
292.10324	0.4
293.04373	1.2
293.08029	3.2
294.08807	4.4
295.09601	7.1
297.11111	0.5
302.05933	0.6
303.06488	4.4
304.06888	0.5
305.04443	0.5
306.05215	1.2
307.06058	0.9
307.09521	7.9
307.12997	0.8
308.10068	0.8
309.07544	3.4
309.10764	0.6
316.07422	0.5
317.07983	2.3
318.08792	2.6
319.05948	1.7
319.09650	2.3
320.06610	1.0
320.10141	0.5
321.07397	2.3
321.14838	0.8
323.12689	0.9
323.16397	0.6
331.05899	0.5
334.04663	9.6
334.08170	0.5
335.05383	6.1
335.09116	5.6
336.09610	0.7
339.12253	3.1
345.07620	2.3
346.08505	0.7
347.05469	4.0
348.06174	4.5
349.06931	1.0
351.12256	5.5
351.16162	0.6
353.13770	0.9
362.07831	1.7
363.08569	100.0
364.08939	5.8
367.11697	30.9
368.12106	2.0
371.84247	0.4
377.10013	8.6
377.13879	1.0
395.10651	5.7
395.15082	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	395.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
57.77459	0.9
67.95840	0.8
69.03415	1.7
69.54062	2.5
69.54492	3.9
79.27196	0.7
82.99833	1.4
85.02882	1.6
87.15460	0.8
94.06528	1.0
97.02866	0.8
98.21420	1.8
98.97559	1.5
101.00866	9.6
103.02428	0.9
115.02425	1.6
116.98608	1.1
119.01101	1.5
119.01907	20.4
120.02024	0.9
127.02373	4.4
128.98529	0.9
131.01877	3.3
133.03427	2.6
137.02921	2.7
139.02382	1.5
143.01865	17.3
145.03438	20.3
147.01314	0.8
151.04454	0.8
155.01836	4.5
157.03441	9.2
161.02933	20.4
163.04465	2.9
163.06531	0.9
164.65385	0.9
167.01880	10.7
169.03540	1.3
173.02922	9.6
175.04524	3.7
177.02365	0.8
184.04492	1.5
185.02927	48.0
186.03137	1.6
187.04697	1.5
191.04005	1.0
193.00104	1.0
197.02869	4.6
203.03978	67.2
204.04065	3.9
208.04433	0.9
210.79259	0.9
215.01993	1.7
215.03973	24.6
216.04251	0.9
217.05475	2.2
221.04977	2.3
224.07178	0.9
226.05583	2.1
227.03905	0.9
233.05028	13.4
245.05067	1.1
256.06851	0.7
275.06073	100.0
276.06400	6.4
277.07770	1.1
308.71466	0.7
395.09451	16.3
395.14185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1118
Annotation	Justicidin C
Peak:m/z	Relative Intensity
52.84939	0.8
53.03920	1.6
55.01852	3.5
55.05497	0.9
57.03423	2.1
62.96009	0.7
67.05489	3.7
68.99778	1.2
69.03415	1.6
69.07063	8.6
69.69138	0.8
70.14322	2.0
70.14698	3.8
75.69205	0.8
79.01830	2.2
79.05482	13.2
81.03363	0.7
81.07047	2.4
91.05474	2.9
93.07056	1.7
95.04940	1.8
95.08633	0.9
97.02866	3.4
97.06521	100.0
98.06866	1.4
98.21348	1.1
105.06992	1.4
107.01302	2.3
107.04984	1.0
107.08524	1.4
115.05459	1.6
119.04926	3.2
121.06460	1.1
128.06201	0.9
129.06976	3.0
133.06474	1.1
141.06972	3.1
142.07782	1.4
143.03369	1.0
143.08591	1.1
145.06488	1.2
145.10155	1.2
147.04413	4.4
152.06259	1.7
153.01811	38.3
153.06958	4.6
154.07785	1.0
155.08534	3.1
157.06474	1.2
158.07266	3.0
163.03838	1.1
165.01820	1.0
165.06940	4.7
166.07748	2.8
167.08516	2.9
168.05655	1.2
169.06430	3.0
169.10037	1.1
170.07230	2.1
173.05983	2.9
173.09625	1.1
177.05489	1.3
178.06180	1.0
178.07716	1.5
179.03378	2.6
179.08525	3.7
181.06465	6.7
181.10086	1.5
182.07254	2.4
183.08052	3.2
185.05959	2.4
186.06755	2.1
187.07536	2.1
187.11115	1.0
188.08275	11.4
189.09074	13.0
190.07726	1.7
191.03398	1.6
193.06400	1.4
193.10049	1.7
194.07303	1.5
195.08104	4.5
197.05907	4.7
197.09708	4.9
198.06758	1.5
199.07466	4.7
205.06522	1.3
205.10172	1.2
207.08043	3.3
209.06020	4.6
209.09587	3.7
210.06750	4.2
211.07549	11.7
212.08252	3.0
213.05486	1.4
213.09076	3.2
215.08611	1.4
217.08582	4.0
219.08041	2.7
221.05997	1.5
221.09575	4.3
222.06883	1.1
223.07486	6.4
223.11147	3.6
225.05475	1.0
225.09044	10.6
226.06250	2.0
227.06976	2.6
227.10641	2.3
228.07805	1.8
233.05943	1.0
233.09621	5.6
235.07533	2.5
236.08214	1.2
237.05467	7.6
237.09100	3.5
239.07010	1.7
241.08549	3.3
243.07988	1.1
243.10146	2.1
247.07524	2.3
248.08145	1.3
249.09193	2.4
250.06233	1.7
250.10083	1.1
251.06987	5.0
251.10695	2.5
253.08559	4.8
254.05804	2.6
255.06485	2.4
257.08151	1.2
261.09158	3.2
263.07016	1.4
265.08560	2.7
265.12167	1.1
267.06662	4.7
267.10107	3.3
269.08075	5.1
271.07388	1.3
275.06985	1.2
275.55090	1.0
277.08640	2.2
277.12079	1.3
278.05731	2.4
279.06268	1.5
279.13782	1.5
281.08054	3.7
284.14063	19.7
289.05505	0.8
289.08499	4.9
291.06531	3.1
291.10016	1.2
292.07300	4.3
293.07980	2.5
295.09561	3.0
297.07663	1.4
299.09070	3.4
303.06219	1.0
305.04422	2.0
305.07660	1.5
306.08801	1.3
307.09708	10.6
307.13135	1.9
308.13818	1.4
309.07498	3.8
309.11139	4.3
309.14447	1.4
317.08191	5.7
319.05908	2.4
320.06781	1.2
321.07407	1.3
321.14746	6.6
323.12701	3.7
323.16394	3.7
331.08255	1.6
333.03818	1.5
334.04672	1.2
334.08334	1.5
335.09131	25.0
335.12683	1.2
336.09464	3.0
337.06912	1.8
345.07516	5.1
346.08405	2.4
347.05414	1.9
348.06134	2.2
349.10522	6.3
349.14456	3.0
351.04965	2.6
351.12256	9.0
352.09116	2.0
353.13818	3.6
361.07257	1.0
362.07895	2.1
363.08594	28.6
364.08795	1.7
366.07477	1.4
367.07849	1.4
367.11679	7.7
367.15503	1.8
377.09924	11.8
377.13965	7.9
380.08990	1.4
395.11111	79.8
395.15012	12.5
396.11337	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	395.0759
Annotation	Tetracenomycin B3
Peak:m/z	Relative Intensity
55.01842	1.4
70.06570	2.7
70.78740	3.5
72.08129	2.0
84.08109	1.7
85.02891	1.3
95.04951	2.1
105.07019	1.0
107.04873	0.9
123.04395	1.3
135.04419	2.3
137.05951	2.3
145.06482	1.3
146.05887	1.0
147.04356	4.3
147.06250	1.2
149.05960	1.9
151.03896	5.0
159.04399	1.1
164.00980	1.4
165.06981	2.3
169.06577	1.2
176.06247	1.5
177.05495	1.7
177.06972	1.4
179.03368	24.5
179.08569	1.5
189.05447	1.6
189.06966	12.3
193.06476	1.2
194.07280	2.4
203.08536	1.5
205.06514	5.3
206.07233	3.9
207.08044	3.0
215.03291	1.5
217.04718	1.6
217.06468	7.5
218.07207	3.4
219.08014	2.1
221.05971	5.7
222.06660	4.9
223.07446	1.6
230.88834	1.1
232.04968	1.4
233.06070	4.9
233.07974	1.2
234.06734	23.8
235.07504	18.9
236.04706	1.8
237.05464	4.2
237.09306	1.5
238.06186	1.6
241.04866	2.6
245.05870	5.8
246.06563	1.4
247.07759	4.6
248.08424	1.3
249.05441	3.4
249.09093	6.2
250.06229	26.7
250.08728	0.9
251.06955	4.4
252.07780	2.6
253.08517	2.9
259.07404	2.5
260.04556	2.8
261.05484	5.1
261.09213	1.1
262.06213	15.6
263.06998	45.0
264.04236	1.8
264.07639	3.8
265.04901	1.8
265.08582	2.3
266.05676	6.3
267.06540	1.9
269.04379	3.3
273.05374	3.1
275.06860	2.9
276.07675	2.7
277.04996	3.5
277.08557	17.5
278.05710	43.2
278.08759	2.2
279.06424	23.1
280.07260	9.4
284.06769	4.5
287.06937	2.0
288.04013	2.0
289.04877	10.1
290.05685	8.0
291.06485	11.7
292.07297	5.2
293.04797	1.9
293.07983	12.4
294.05106	8.3
294.08240	1.4
295.05936	6.5
295.09549	7.2
296.06799	1.2
297.07510	1.5
303.06439	4.2
305.04352	4.9
305.08008	10.3
306.05234	27.0
306.08612	2.2
307.05960	19.9
308.06714	12.6
309.07507	19.8
317.04413	2.8
318.05173	11.8
319.05759	2.2
321.07529	37.7
322.08154	7.6
323.05280	2.3
323.09091	43.3
324.06226	17.4
324.09628	1.5
325.06750	2.6
331.05823	3.3
332.06589	1.3
333.07486	12.1
334.04663	30.1
335.05402	3.8
337.07098	1.8
338.04111	2.7
339.08530	1.9
349.06995	80.7
350.07434	2.7
351.08670	4.9
352.05737	30.4
353.06522	18.0
367.08099	100.0
368.08374	3.1
377.06363	21.5
395.07520	62.3
396.07993	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	395.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00715	3.8
53.79007	3.7
57.24571	3.6
69.96835	14.9
69.97235	6.5
98.21384	7.0
101.00870	7.7
113.42987	4.0
119.01919	20.3
128.33780	4.1
130.13680	3.7
143.01906	18.1
145.03441	12.9
155.01947	5.2
157.03514	6.5
161.02904	20.7
166.57903	4.2
167.01913	14.7
173.02974	8.2
185.02921	43.3
197.03084	6.7
203.03990	74.1
215.04002	24.0
233.05032	12.4
275.06088	97.2
365.75635	4.8
370.58908	4.5
395.09470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.8
55.01868	2.9
55.05505	1.3
57.03439	2.5
60.05653	1.7
61.70745	1.2
63.64772	1.1
67.01853	4.4
67.05491	3.5
68.99770	5.6
69.03429	2.9
69.07059	4.5
70.06577	2.5
71.01340	4.6
72.89152	1.1
79.05487	9.3
81.03403	3.0
81.07056	3.3
84.08134	1.5
91.05473	5.4
91.11008	1.3
93.07027	3.7
95.01332	3.6
95.04965	2.9
95.08596	1.7
97.02900	2.1
97.06519	46.5
105.07028	5.0
106.40553	1.2
107.04941	3.1
107.08605	3.2
108.49688	1.3
109.02835	2.4
109.06512	1.4
110.82507	1.3
111.00779	1.7
115.05463	2.4
116.07049	1.6
117.07018	1.6
119.04929	10.8
119.08574	1.5
121.06484	2.9
123.00799	4.0
129.06970	2.8
131.08554	2.0
135.04449	3.6
137.05978	1.5
139.07553	1.5
141.06934	1.6
145.10085	2.9
146.77974	1.2
147.04391	48.0
149.05977	2.7
151.07516	10.8
153.05467	1.8
157.01280	5.9
157.06552	1.5
158.07291	2.1
159.04329	1.7
159.07997	1.7
159.11684	1.4
161.05997	4.3
162.06779	2.4
163.03847	6.0
164.04808	1.7
165.01871	2.0
165.06952	1.6
165.09169	1.6
167.07080	4.5
167.08493	2.1
168.05656	1.4
168.07797	1.9
169.06467	1.4
171.04398	1.4
171.08005	1.6
172.08675	1.3
173.05994	3.1
174.06752	1.8
175.07568	2.7
176.08362	1.6
177.05457	9.6
178.06274	10.6
178.07660	2.2
179.03362	3.5
179.07019	25.3
179.08470	2.7
181.06392	1.8
181.08545	7.0
182.07266	1.6
183.08025	2.3
184.05234	1.4
185.05943	3.1
186.06735	1.6
187.07466	3.1
187.11284	1.9
188.08290	8.6
189.05502	2.2
189.09085	1.7
191.03386	5.6
191.06989	10.7
192.07828	4.4
193.08575	1.9
194.07332	1.6
195.06491	2.7
195.08128	2.9
197.06090	1.8
197.09630	1.7
199.03831	1.4
199.07550	4.6
200.08296	1.4
201.05534	3.7
201.09091	2.6
203.03316	1.8
203.06978	2.4
205.04973	3.9
206.05721	12.5
207.06059	1.4
207.07907	2.3
209.07967	1.9
209.09708	2.0
210.06848	1.9
210.08704	2.4
211.07573	3.4
213.05531	3.5
214.06361	1.6
215.03471	2.3
215.07040	3.4
215.10577	1.7
216.07771	1.5
217.04932	2.0
217.08559	2.9
218.05666	2.1
218.09271	1.7
219.06462	2.8
219.10112	1.8
221.09717	1.9
223.07550	4.4
225.09090	7.6
227.06998	2.8
227.10573	2.1
228.07657	1.4
229.04982	4.9
230.05669	2.6
231.02834	3.2
231.06557	3.6
239.07182	1.8
241.04924	2.2
243.06548	1.8
244.07265	5.2
245.04495	5.5
245.08217	2.3
246.05190	4.5
247.09630	2.4
249.09065	1.5
251.07086	2.2
251.10741	1.8
253.08647	2.9
255.02902	2.1
255.06519	3.3
257.04434	6.3
258.05212	2.8
259.02481	1.5
259.05869	1.8
260.06775	4.2
265.12201	1.7
266.12991	4.5
267.06430	1.9
269.04477	3.0
269.08041	1.2
271.06125	2.0
272.06857	1.9
273.03952	4.4
273.07346	2.3
274.04794	3.8
275.05545	4.4
277.12262	2.0
281.08112	2.4
282.05289	1.8
283.02673	1.6
283.06049	3.2
284.06790	9.9
284.14020	13.7
285.03989	4.8
287.09506	1.8
288.06375	5.3
290.07779	6.8
295.09802	2.3
299.05814	1.6
299.09024	2.9
300.06259	5.3
301.03397	17.3
303.08621	9.0
305.10175	33.4
306.10565	1.5
309.11127	1.6
313.06952	2.0
315.08447	11.7
316.05750	16.5
316.09070	1.8
317.06177	2.0
321.09769	3.0
321.14801	2.7
323.16306	1.7
328.05789	3.7
331.08087	70.9
332.08426	3.6
333.09637	11.2
335.12701	2.1
341.06485	1.7
349.09146	41.4
349.14178	3.7
351.12201	4.1
353.13855	1.7
359.07635	8.0
361.09015	7.0
367.07852	2.7
367.15448	2.3
377.08737	44.9
377.13815	7.1
378.09012	3.6
379.30206	1.3
395.09787	100.0
395.14835	11.8
395.30084	2.3
396.10223	8.2
396.14825	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	394.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	8.0
62.06060	4.9
69.03419	11.8
71.39323	8.0
79.05480	6.0
84.08132	15.0
84.77975	3.7
85.02898	21.2
85.03330	3.8
91.05469	17.1
97.02877	9.7
98.97586	5.4
107.04931	10.4
111.62302	4.4
119.04935	47.2
121.06435	6.4
135.04367	11.9
136.24141	4.1
137.05949	43.7
145.04958	5.1
147.04382	79.5
149.05957	10.9
151.07507	7.0
167.07042	24.7
179.07018	100.0
237.02934	5.4
311.10989	6.4
358.40228	4.5
394.10477	5.3
394.15439	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	395.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96770	1.2
65.42619	0.7
67.05550	2.0
68.99487	1.4
68.99779	4.4
69.03465	1.6
69.07121	0.7
70.06284	0.7
70.06647	1.6
70.64249	2.7
71.05020	0.8
79.05558	2.2
81.03449	1.4
81.07110	2.4
81.24369	0.7
85.02943	1.0
91.05535	2.1
93.07080	2.2
95.05001	1.0
95.08614	1.3
97.02904	1.4
97.06593	2.4
105.07087	2.3
106.67275	0.7
107.08624	1.5
119.08635	1.4
121.06593	0.6
121.10170	1.8
123.00854	0.8
125.17429	0.7
127.03972	1.0
129.07091	0.9
130.06534	1.1
131.04984	1.2
131.08636	1.3
132.04526	0.8
133.06573	0.9
133.10158	1.2
137.06000	1.3
140.05026	2.3
145.10176	1.1
147.02666	1.4
147.04388	1.0
149.00566	1.6
156.04417	5.9
157.10143	0.9
159.04280	0.7
162.03833	1.6
165.02428	13.3
165.03610	1.0
166.02650	0.8
169.05293	2.8
170.06032	1.3
170.61258	0.7
171.11716	1.0
172.02165	4.4
174.03758	3.1
175.02090	1.3
176.01721	2.1
177.05540	1.5
178.03252	2.3
179.03461	2.1
184.02164	1.6
184.03804	1.1
185.04759	2.3
185.09621	0.8
186.05534	2.2
187.07619	0.8
188.01581	0.9
189.06944	1.5
190.03233	4.0
191.01613	1.0
199.07596	1.0
200.01610	10.8
200.03177	1.0
201.02428	1.6
201.99538	1.2
202.03218	12.8
202.04991	1.6
203.01712	1.2
204.01175	3.4
212.01607	3.5
212.03398	33.3
213.04106	1.0
213.09100	0.8
215.14330	0.9
216.01227	2.4
217.15906	0.9
218.02655	8.1
219.06471	1.8
228.01109	24.0
229.01802	2.3
230.02654	12.2
230.04564	1.2
233.15379	2.5
234.06721	1.2
235.07574	2.0
237.05743	0.8
246.02191	40.4
247.02669	2.1
248.03792	1.1
250.06180	1.4
256.00613	100.0
257.00861	3.5
262.06189	1.0
263.07016	3.9
266.03528	3.4
274.01660	19.7
276.03354	0.9
277.08450	1.1
278.05725	2.0
279.06464	0.8
283.05844	2.6
288.03754	0.7
291.06491	0.9
292.02701	57.7
293.03253	3.0
293.08118	0.8
296.68570	0.8
305.07819	0.9
306.04999	2.1
308.06799	0.9
309.07559	1.1
315.08475	1.0
318.05151	1.2
320.02170	2.7
321.07410	2.3
323.08969	2.5
331.03830	2.8
331.08102	0.9
334.04608	2.0
335.05270	1.1
338.03253	9.6
349.04404	11.9
352.05515	2.3
353.06519	1.0
367.08102	6.8
377.04077	7.0
377.08389	3.1
377.13474	1.4
395.05255	42.2
395.14896	1.5
395.20984	1.3
396.05618	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	393.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66164	2.2
55.05504	48.3
56.77864	2.4
57.07068	26.7
59.83854	2.1
67.05493	16.4
69.06695	3.1
69.07061	46.5
71.08623	10.8
72.25793	2.0
79.05485	16.5
81.07047	78.8
83.08607	100.0
85.10157	5.5
91.05463	14.0
93.07040	19.7
95.08598	26.7
95.86971	1.9
97.10168	14.8
105.07006	23.9
107.08573	24.8
109.10143	14.8
117.06992	9.2
119.08549	15.4
119.45762	2.1
121.10123	12.3
123.11684	7.4
124.73356	2.2
129.06969	5.2
129.98497	2.8
131.07695	2.4
131.08548	13.1
132.34669	2.1
133.10120	20.3
135.11679	6.8
137.13231	3.9
141.06873	2.4
142.07835	4.0
143.08546	12.0
145.10110	27.4
147.11671	13.5
149.13307	5.3
151.14798	2.4
155.08482	4.6
157.10114	32.6
159.11673	20.2
161.13202	6.8
169.10143	3.0
171.11671	8.0
173.13278	8.0
177.16370	2.7
183.11656	8.9
185.13300	11.2
187.14703	4.6
189.16457	3.0
197.13116	2.8
199.14780	8.2
201.16417	6.8
203.17888	2.3
211.14815	3.9
213.16328	4.6
215.18001	2.6
225.16335	3.9
227.17995	3.1
239.17970	10.6
253.19424	8.3
295.24161	17.4
299.27371	2.4
309.25793	7.9
393.35104	90.0
394.35373	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	393.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
55.01866	13.9
55.05506	21.5
57.03433	9.1
57.07077	9.9
65.03946	10.6
67.05505	27.3
69.03422	37.4
69.07061	23.0
70.06577	33.1
70.87129	27.9
71.04985	17.2
72.08145	13.9
73.02901	32.9
79.05483	22.4
81.03419	15.3
81.07042	39.4
82.06567	32.6
82.07393	9.7
83.04982	16.7
84.04520	18.8
84.08129	26.1
85.02906	31.8
85.06525	9.8
86.09695	42.6
91.05476	49.7
93.07033	26.5
95.04933	21.6
95.08601	43.5
96.04499	15.8
97.02885	29.1
97.06505	18.5
97.10144	11.3
103.05466	11.1
105.07034	18.6
106.06541	13.1
107.04926	16.4
107.08601	40.9
108.08089	10.5
109.02882	18.5
109.10178	18.3
111.04424	15.5
115.05496	11.4
117.07018	20.8
119.04937	24.8
119.08602	19.3
120.08119	20.5
121.10145	24.2
124.07581	14.2
125.05968	30.2
127.03886	11.2
129.00232	8.9
131.08537	21.1
135.11665	12.5
136.07533	18.7
137.05972	39.5
143.08563	11.7
146.06010	12.2
147.04419	27.2
149.09718	9.9
151.03886	100.0
155.08499	12.3
157.92303	10.3
159.11665	19.9
163.03931	20.3
163.07588	9.9
167.07019	22.6
170.08139	9.6
173.05930	13.1
173.13220	15.8
175.07565	15.0
177.05392	20.7
177.16412	41.2
179.07011	27.2
187.07542	13.7
189.08879	10.6
191.03227	10.1
195.17432	20.6
197.08076	30.0
201.12700	17.4
220.07365	15.3
229.29390	9.1
231.19502	15.0
260.13083	9.6
322.04410	15.3
330.13654	13.1
340.42221	10.0
361.05585	15.7
365.06415	18.6
375.10977	10.5
376.13672	15.2
393.06049	35.0
393.11349	19.1
393.18561	15.0
394.10184	13.1
394.14911	35.4
419.42551	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03925	7.4
55.01858	3.8
55.05507	20.6
57.07073	13.5
59.64142	2.3
65.03917	5.1
67.05195	2.9
67.05495	33.0
69.03423	3.9
69.07066	23.6
70.90900	6.6
70.91228	2.9
74.71442	2.6
79.05482	35.2
81.03378	2.8
81.07045	59.2
83.04968	4.9
83.08600	8.9
85.06519	3.1
89.04924	2.7
91.05473	53.7
92.12959	2.6
93.07033	81.9
93.14352	2.8
95.04958	58.5
95.08595	57.4
96.05254	2.5
97.06501	10.7
98.98431	6.1
103.05447	4.3
105.04561	3.1
105.07018	100.0
107.07911	4.7
107.08579	52.8
109.06509	14.9
109.10137	28.4
115.05415	5.6
117.07011	19.8
119.08557	93.1
121.06480	20.6
121.10129	38.1
123.08032	5.6
123.11691	10.6
128.06256	6.3
129.06978	15.6
130.07745	8.1
131.08554	49.3
133.10106	54.6
134.47972	2.7
135.08029	6.1
135.11670	19.9
139.11197	3.3
141.06937	5.2
142.07761	21.9
143.08557	33.3
144.09355	6.8
145.10103	68.3
147.07977	4.5
147.11646	20.3
149.09612	6.5
149.13261	7.9
153.07014	4.4
155.01035	6.0
155.08543	13.7
156.09303	13.7
157.10101	45.0
158.10806	7.9
159.08064	4.1
159.11667	45.8
160.12154	3.4
161.09596	15.9
161.13225	8.1
163.11203	7.2
165.06932	4.1
167.08514	7.2
168.09315	5.5
169.02579	5.1
169.10138	26.3
170.10880	7.2
171.11685	21.0
173.09549	5.1
173.13243	22.0
175.11159	9.8
175.14771	13.0
179.08574	9.0
180.09399	2.9
181.10094	11.0
182.10757	3.1
183.11636	17.5
184.12433	3.2
185.13223	17.3
187.11127	7.5
187.14754	12.0
193.10121	9.2
194.10838	3.1
195.11710	8.2
196.12350	3.5
197.13286	15.8
199.11290	3.5
199.14726	9.2
201.16368	6.3
207.11684	6.3
209.13197	16.5
210.13896	3.4
211.14754	8.6
213.12654	3.5
213.16336	3.5
217.15840	3.0
219.11795	3.9
220.12492	3.0
221.13170	7.8
223.14793	7.4
225.16283	5.9
235.14822	4.3
237.16368	4.3
239.17792	4.4
241.19563	3.5
251.17923	3.7
253.15656	4.7
265.19638	3.5
267.21262	3.3
375.26736	6.6
393.27728	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	392.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43518	1.3
55.05484	1.6
56.04990	1.2
56.96545	3.3
57.03407	1.4
57.07043	1.2
69.03403	2.7
70.06561	2.5
71.40008	1.4
71.66038	2.3
74.45466	1.2
77.67063	1.3
79.44150	1.5
84.04518	1.4
84.08096	1.7
85.02869	5.7
93.03363	1.3
97.02847	3.2
98.97549	3.8
107.04893	2.1
115.03926	1.6
116.98608	3.3
122.05985	1.8
134.99603	1.6
137.05983	1.4
138.05434	1.8
147.04350	2.2
149.02350	7.6
149.04723	1.8
150.02623	3.3
154.06316	1.5
161.01173	1.4
168.07826	1.6
177.00618	2.5
179.06908	1.6
182.06044	1.6
184.03856	4.6
184.07562	1.3
196.07558	1.7
199.06335	2.4
200.06979	2.9
202.04951	3.7
212.07047	11.3
224.07039	2.4
226.04929	6.8
228.06514	3.8
230.04776	2.3
230.13702	2.1
237.02866	2.5
242.08025	5.3
243.05099	1.8
244.06137	2.6
256.05994	17.1
257.06512	3.5
258.07581	69.2
259.08008	3.8
270.07498	4.0
284.09216	1.5
288.08621	10.9
302.10181	36.5
330.09607	3.8
332.07672	16.2
346.09210	2.2
392.09665	100.0
393.09979	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	391.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65489	0.9
55.05508	0.8
57.07069	1.4
67.05497	2.5
69.07045	1.1
69.37006	1.9
69.37401	9.3
70.06593	1.4
71.08615	1.0
79.05472	3.1
81.07042	4.2
91.05480	2.8
93.07019	4.6
95.04936	1.1
95.08582	3.6
97.06538	1.1
98.21503	1.9
105.06998	3.0
107.08586	3.0
109.06499	1.1
119.08567	3.8
121.10104	2.2
129.06885	1.2
131.08577	1.8
132.10132	1.0
133.10114	2.0
135.11610	1.5
140.72157	0.9
142.07770	0.9
143.08575	1.5
145.10101	1.5
145.77998	0.9
149.02298	7.3
157.10092	2.3
159.11754	1.2
171.11703	1.4
179.08586	1.0
181.10211	1.2
209.13358	1.0
329.32327	1.8
355.26120	1.0
391.24481	100.0
391.35449	5.1
392.24564	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	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.05494	10.3
57.07056	6.0
58.43214	2.1
60.49566	2.0
65.03928	3.1
67.05496	18.4
68.30045	2.1
68.48259	2.4
69.07050	9.2
70.06591	4.6
71.08610	6.3
71.60519	2.6
75.64224	2.0
79.05484	27.3
81.07042	34.4
83.04952	6.6
83.08592	3.5
91.05470	36.6
93.07027	39.7
95.04949	36.8
95.08582	20.4
97.06507	7.4
97.16792	2.4
103.05443	3.5
105.07010	64.0
107.04979	3.1
107.08573	25.3
109.06496	12.5
109.10143	13.3
115.05420	4.0
117.06995	13.4
119.04947	3.4
119.08568	48.3
121.06488	10.0
121.10130	21.4
123.08070	4.3
123.11715	5.2
128.06204	9.9
129.07007	15.4
130.07759	7.0
131.08543	23.7
133.06454	3.9
133.10130	18.2
135.08044	6.5
135.11694	4.8
141.06979	7.7
142.07761	13.5
143.08560	28.7
144.09315	6.1
145.10109	38.4
147.08031	9.6
147.11682	10.5
149.02330	18.4
149.09641	5.5
153.06950	4.3
155.08531	10.7
156.09343	9.7
157.10109	33.9
159.08051	9.0
159.11635	13.4
161.09599	4.5
161.13177	3.4
163.11116	2.8
165.06973	5.6
166.07733	4.7
167.08556	8.4
167.10715	3.5
168.09331	5.4
169.10101	22.6
170.10817	4.0
171.11652	19.1
172.08809	2.5
173.09604	7.2
173.13284	9.3
175.11070	3.6
178.07762	2.7
179.08534	10.7
180.09312	6.5
181.10115	16.5
182.10869	7.7
183.08095	3.3
183.11630	20.9
185.09576	3.6
185.13222	8.9
186.10324	2.5
187.11201	4.2
187.14676	3.2
191.08446	3.9
191.14262	3.3
192.09352	7.3
193.10101	13.7
194.10869	6.5
194.73367	2.2
195.11694	17.8
196.12492	8.2
197.09718	3.2
197.13199	15.1
198.14093	2.5
199.11160	7.7
199.14809	6.4
201.12785	3.0
205.10069	4.1
206.10898	6.8
207.11633	13.7
208.12424	9.5
209.09566	3.6
209.13258	17.9
210.13875	2.7
211.11092	5.7
211.14859	7.8
213.12704	4.6
213.16312	2.6
215.14444	4.1
217.10014	2.6
217.15872	4.0
219.11652	5.4
219.22772	2.3
220.12410	5.2
221.13245	10.2
222.13986	3.6
223.11214	2.9
223.14818	8.8
225.12772	3.6
227.14282	3.2
230.10851	2.8
231.11638	4.1
232.12547	3.9
233.13249	7.3
233.15356	4.0
234.13876	5.2
235.14793	11.2
237.12717	3.2
237.16307	4.7
239.14342	4.6
241.15941	2.5
243.11604	4.6
245.13121	4.3
247.14749	9.6
249.16374	11.3
251.14381	4.0
251.17755	6.1
257.13095	2.8
259.14807	4.9
260.15582	2.9
261.16486	4.3
262.16986	3.1
263.14380	3.0
263.17917	7.8
265.16092	2.6
267.17331	5.1
269.18887	3.9
273.16437	6.2
275.17886	5.8
279.17557	6.9
281.19006	2.9
282.19803	7.2
289.19516	3.0
293.18796	5.2
295.20575	3.8
297.18558	5.5
307.20514	4.8
308.21124	2.6
315.21100	4.2
329.32080	3.1
335.20053	6.2
373.25140	18.2
391.15140	6.8
391.26239	100.0
391.36050	9.7
392.15689	2.4
392.26718	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	390.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
56.96558	26.4
57.03419	3.2
61.02914	1.8
69.03421	7.1
69.98248	3.5
70.03759	1.0
70.98111	4.1
72.08131	1.7
73.02895	2.6
74.97591	2.8
75.04472	1.0
81.03391	2.8
82.06578	0.9
83.97617	3.3
84.04486	2.4
84.08125	4.1
84.96018	3.2
85.02896	11.6
85.08445	1.7
86.03226	0.9
86.09674	2.3
87.04452	2.9
88.03979	0.8
88.99143	4.2
91.05474	1.9
97.02876	8.1
98.20917	1.7
98.97562	12.1
99.04455	1.3
101.98643	0.9
107.00163	1.5
107.04940	2.5
109.02856	1.9
110.07108	0.9
110.97579	2.1
112.99129	1.0
115.02395	1.1
115.03928	1.6
116.98601	9.8
119.01871	4.0
119.04930	2.1
120.01971	1.0
127.03900	3.1
128.00203	3.0
128.11349	0.7
128.98586	5.7
129.03871	0.9
129.10197	1.0
131.00156	2.7
131.01860	1.5
133.01714	0.8
133.04933	0.8
134.05986	1.0
134.99625	3.2
136.06165	1.3
136.07523	0.8
137.05936	6.9
138.06274	1.2
140.98575	2.9
142.45383	0.7
143.00156	1.8
143.01794	0.9
145.03448	2.3
145.04948	1.1
146.01230	10.1
146.99622	11.8
147.04282	5.4
148.04703	1.5
149.01210	2.2
152.07040	1.9
155.99699	2.7
156.98009	4.2
157.01669	1.2
158.99644	12.1
161.01170	2.1
161.02907	2.5
161.05931	1.1
162.99191	1.3
163.02733	2.2
163.04507	1.1
164.00917	0.8
164.02278	21.4
164.03691	1.1
165.00706	11.2
170.99582	3.9
172.94292	1.7
172.97629	0.9
173.02934	1.8
174.00705	7.3
174.99110	6.6
175.00685	1.3
177.00691	22.4
179.02147	0.9
179.07056	1.5
182.03336	8.2
183.01743	1.9
185.02911	1.1
186.04367	1.0
186.99121	1.2
188.02225	1.3
188.97153	1.1
189.00687	18.8
189.02225	0.7
190.95323	3.2
190.98624	5.2
192.01723	4.0
193.00191	3.1
194.08287	0.8
195.01665	4.8
200.05919	0.9
203.04160	1.9
203.05894	1.9
203.07648	0.9
204.05466	1.2
205.00130	5.7
205.01846	1.2
206.98218	1.2
207.01740	20.3
208.96388	0.9
208.99733	1.9
210.07611	1.0
212.02298	2.1
213.04176	0.8
214.95398	1.0
215.03938	1.2
218.06947	8.4
219.01765	3.5
219.05246	1.1
220.01273	1.3
220.10304	1.0
221.04985	1.9
223.01173	7.7
223.04750	0.9
225.02563	1.4
228.03493	1.2
228.05486	4.5
228.08685	1.0
230.03400	1.5
231.03581	1.0
231.05400	8.5
231.95789	2.1
232.96423	4.0
232.99640	2.5
236.08020	3.6
237.02783	4.1
243.05414	1.5
245.05168	1.7
246.03651	0.9
246.06436	1.5
246.97989	1.6
247.04634	1.0
249.06435	3.0
250.97598	1.1
251.00624	1.9
254.06969	1.2
257.97153	0.8
258.06454	4.2
258.98044	2.6
260.09808	1.3
261.06427	2.2
265.05695	0.9
273.06302	3.6
275.00723	1.6
276.04791	1.2
276.07520	13.4
278.24774	0.8
281.01794	2.5
291.04175	1.2
291.07437	21.7
309.08511	3.8
314.08997	1.3
348.09421	1.2
349.01160	1.6
349.08209	1.2
362.11185	13.4
367.02182	1.0
390.10648	100.0
391.02170	3.0
391.11069	1.7
408.06534	1.1
408.11758	11.4
409.03381	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	390.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.1
59.76606	0.7
60.79848	0.9
70.06551	1.3
71.65971	1.2
79.05496	0.9
83.97612	2.5
84.04507	1.2
84.08113	2.3
85.02869	1.7
86.09677	2.3
90.05495	1.0
96.08134	1.2
98.97536	2.0
111.04485	0.8
116.98582	1.5
122.02658	0.9
124.07568	4.6
125.21162	0.7
126.05518	0.9
128.00186	1.5
128.98579	2.1
129.10220	0.9
131.00099	1.5
140.98573	2.1
143.00220	0.9
146.01234	6.3
146.99620	1.3
147.04333	0.8
149.01274	1.1
155.99614	0.9
156.98047	2.7
158.99605	8.4
164.02278	16.1
170.99637	2.1
174.00725	4.7
174.99129	3.7
176.99232	1.6
177.00679	12.6
177.05412	0.9
182.03342	5.1
184.09550	1.0
189.00682	12.9
192.01752	2.8
195.01758	3.7
202.10631	1.1
203.05930	0.8
204.05399	1.0
207.01712	16.0
207.03477	1.3
209.02695	0.8
210.04269	0.9
218.06932	5.6
219.61739	0.8
220.11711	1.0
221.02705	0.9
228.05342	2.7
231.05357	6.6
234.98979	1.2
236.07997	1.5
242.09947	0.9
243.05254	2.1
246.06384	1.7
249.06429	1.9
258.06494	3.3
261.06390	2.3
273.06378	2.5
276.07498	11.6
291.07440	15.0
294.08569	1.8
299.09174	1.2
309.08453	3.3
314.08795	0.9
315.45245	0.9
362.11172	10.1
363.11252	0.9
372.12872	0.9
390.10861	100.0
391.11322	1.7
408.11664	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1156
Annotation	CAY10566
Peak:m/z	Relative Intensity
52.87959	1.0
69.62769	9.4
73.14481	1.0
75.14816	1.1
85.02909	1.7
97.02870	1.2
119.01888	1.4
123.67818	1.2
146.01230	1.5
158.99669	1.4
164.02350	1.6
177.00665	1.3
182.44528	1.1
220.06882	1.4
276.07492	2.0
299.06476	1.4
328.44287	1.2
362.11230	1.8
390.11499	100.0
391.11618	2.6
408.11667	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
59.24413	0.4
65.03918	0.7
67.05489	0.4
69.03406	0.5
69.07070	0.4
71.63527	0.4
71.63910	0.5
79.05479	0.9
81.03407	0.5
81.07030	1.1
85.02895	0.6
89.03899	1.4
91.05460	1.1
93.07030	1.2
94.06564	0.9
95.04924	0.8
95.08572	0.4
96.08111	1.6
97.02871	0.5
97.06497	1.5
98.06847	0.4
103.05440	0.5
105.06991	0.5
106.27443	0.4
107.04939	0.6
108.08079	0.8
109.02821	0.5
110.09663	2.3
115.05447	0.4
116.04968	6.7
120.04481	0.6
120.08099	1.3
122.06011	1.6
123.04446	0.6
125.05904	0.4
127.03943	0.6
130.12234	0.3
131.04893	0.8
133.10132	0.4
134.05989	0.5
135.11687	0.4
136.07564	1.9
137.05969	2.6
138.06259	1.4
138.09119	2.2
144.04420	15.5
145.04994	0.6
145.22842	0.4
148.07562	0.7
151.07486	0.5
161.06065	0.4
162.05482	6.1
162.06708	0.6
163.07559	0.3
166.08607	4.2
167.07004	1.1
172.03909	66.2
173.04276	3.0
173.05795	0.6
175.07439	0.4
176.07022	0.5
177.05449	0.8
181.04935	1.0
190.05014	0.5
204.06532	100.0
205.06863	4.1
209.08054	0.9
228.32864	0.4
236.09171	0.6
290.11142	0.4
293.09109	0.5
309.11414	0.5
339.09567	0.5
339.13129	0.6
357.14392	16.6
358.14703	1.0
389.12479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38725	0.9
60.28075	0.8
60.95195	0.8
68.99769	3.8
69.33666	1.1
69.33971	10.8
79.05453	1.9
89.62514	1.0
91.05479	2.2
97.02866	1.3
97.06512	3.4
97.76118	1.0
98.21432	1.7
107.04924	1.9
121.06437	1.0
131.04904	1.6
133.02800	1.1
133.06461	1.3
134.03650	1.1
135.04494	1.0
136.05177	1.6
137.05974	1.3
140.04927	1.6
144.05666	1.1
145.06461	1.7
147.04338	5.0
149.05940	4.1
151.07545	4.6
158.05948	1.6
159.04454	1.4
161.02321	11.2
161.05991	3.0
162.01820	2.2
162.06770	1.7
163.03879	2.9
165.05457	1.9
166.06207	1.6
167.07056	1.3
168.07681	1.2
169.05150	1.2
170.05919	2.6
172.03871	2.5
173.05957	1.3
175.03905	3.3
175.07401	1.0
177.05498	5.2
178.06189	3.5
179.03372	2.6
179.06964	1.1
181.04977	1.6
181.08609	2.7
182.06091	1.5
185.04617	1.6
185.06094	1.6
186.05502	4.3
187.03912	2.3
189.01846	3.8
189.05405	1.3
190.06268	1.7
191.06985	8.2
193.04898	7.2
195.06543	2.4
196.03838	4.7
197.04655	2.2
198.05423	3.4
200.03265	1.3
200.04887	1.3
200.06931	2.4
201.05396	2.7
203.03369	1.9
204.07793	3.1
205.04924	27.3
205.08664	1.2
206.05196	1.4
209.04636	1.2
210.05531	2.5
212.03363	1.7
212.07028	1.3
213.04013	2.1
214.04848	5.0
215.03448	5.7
215.06990	1.5
216.06526	1.7
217.07195	1.1
218.05759	3.2
219.06421	1.1
222.05281	1.7
224.03349	6.5
225.04134	3.5
226.04961	24.7
227.01949	1.3
227.05388	1.7
228.02849	5.7
228.06384	5.2
229.05046	1.7
229.07315	3.4
230.05862	8.4
230.07933	2.2
231.06619	1.8
232.07437	1.1
235.05870	1.2
238.04907	2.4
239.05667	1.2
240.06494	11.1
241.03706	3.6
242.04373	8.7
242.08154	1.1
252.02972	1.5
253.03664	2.4
254.04454	15.5
255.05251	3.3
256.02332	10.7
256.05988	14.5
257.06824	4.8
258.07529	3.1
268.06012	6.4
269.06769	1.9
270.03973	6.3
270.07541	3.2
271.04657	47.9
272.05170	3.0
272.09064	1.6
280.02298	1.5
281.03305	1.2
282.03906	1.9
283.05865	1.1
284.05515	25.3
284.19861	1.1
285.06171	7.9
286.07230	1.8
296.05530	15.4
298.03485	2.7
298.07047	7.2
299.05017	8.0
299.07956	4.4
312.04947	12.0
313.05521	5.9
314.07828	16.2
316.08276	2.0
327.07343	33.5
328.08087	68.8
329.08447	3.0
330.06256	1.6
341.05280	1.7
342.07330	11.1
344.03323	1.0
344.07599	39.3
345.08047	2.5
360.08023	2.6
372.07083	41.5
373.07526	3.7
375.05908	1.1
390.08127	100.0
391.08502	6.9
391.13821	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03926	3.7
55.01869	39.2
55.05509	2.3
57.03461	2.5
58.00663	2.1
65.03931	8.6
67.05499	7.2
67.70647	1.8
69.03415	5.3
69.07066	5.0
71.04967	2.0
71.58846	2.6
79.05476	8.1
81.03412	3.6
81.07041	5.8
82.04179	4.7
83.04975	2.8
84.08140	7.5
85.02905	6.0
86.09701	3.3
88.57595	2.3
91.05473	11.3
93.07054	4.2
95.04951	8.7
95.08596	5.6
97.02889	4.2
97.06515	15.0
98.48409	2.0
99.04427	2.2
103.05455	20.7
105.06992	2.9
107.04958	10.0
109.06521	2.7
109.10089	3.1
110.03636	4.3
111.04434	2.8
117.07001	3.7
119.04961	2.7
121.06479	5.3
121.10088	2.7
122.03608	4.5
123.04426	10.6
123.11677	2.0
124.05193	2.4
125.05992	4.3
127.03933	2.5
128.06197	3.4
129.07005	13.1
131.04904	23.7
131.08548	6.0
133.06483	3.6
133.10065	2.0
137.02362	2.4
137.05957	45.8
138.06361	3.9
139.03929	2.2
140.04640	3.8
141.06995	2.3
142.02565	4.3
145.06464	6.5
145.10013	2.7
147.04399	12.0
149.05975	10.4
149.09546	2.1
151.03903	2.9
151.07544	2.1
153.05457	5.7
155.07033	2.7
157.06461	14.0
158.07166	3.2
159.04361	3.5
160.05191	5.8
161.06029	3.1
163.03914	3.3
163.07538	10.5
165.05563	2.7
167.07034	32.6
168.28014	2.0
171.06519	8.0
174.06735	8.9
175.07526	20.8
177.05450	43.4
178.06163	3.1
181.04936	100.0
182.05312	2.3
183.06572	12.8
187.07538	5.9
188.08360	2.3
189.07188	2.8
189.09090	25.8
191.06985	4.7
197.06148	2.3
199.07437	2.7
201.09091	8.0
203.08665	2.2
205.08455	3.9
206.07242	3.0
209.06012	2.9
209.08058	60.0
217.06647	3.1
217.08597	7.1
218.07237	8.5
219.08104	3.6
219.10059	26.8
221.07994	2.6
231.08009	2.7
234.06763	6.9
235.07448	3.4
235.09579	3.0
247.07634	4.3
248.08400	3.1
249.09120	8.4
261.09106	10.2
263.06940	4.9
264.07755	3.1
267.67844	2.0
277.08536	20.8
278.09247	5.2
279.10117	5.4
281.11563	2.7
283.10004	2.0
293.11758	5.9
306.08472	2.4
307.09506	5.0
309.11142	8.2
321.11221	6.1
339.12299	28.4
341.13800	6.5
359.07635	7.3
359.14749	3.4
371.14890	27.5
389.12106	11.2
389.16315	38.6
390.16339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	Simulanol
Peak:m/z	Relative Intensity
50.62819	1.6
53.03926	3.4
55.01863	39.2
58.44481	1.8
65.03936	9.9
67.05481	7.3
69.03403	4.0
69.82819	12.3
79.05476	10.2
80.71452	1.8
81.03400	3.4
81.07046	3.2
82.04189	4.1
83.04950	1.8
85.02918	8.3
91.05472	4.6
93.03394	2.6
93.06990	2.1
94.04173	2.2
95.04939	7.3
95.08599	2.5
97.02829	2.0
97.06512	7.5
103.05447	17.6
103.13396	1.7
105.06992	4.7
107.04942	16.3
108.02081	4.0
109.06474	3.4
110.03621	5.8
111.04434	3.1
115.05415	4.7
117.07016	3.8
119.04912	1.8
121.06459	4.9
122.03595	4.9
122.49605	2.1
123.04434	9.0
125.05956	3.5
128.06161	3.5
129.07005	13.9
131.04906	24.2
131.08557	7.2
137.05959	49.5
137.07013	2.6
140.04663	4.8
141.07010	4.2
142.02596	5.0
145.06453	8.0
147.04411	3.3
149.05984	11.1
151.03905	2.0
151.07436	3.3
153.05452	5.2
155.07010	3.6
157.06490	14.2
158.07144	4.2
159.04413	2.4
159.08025	2.8
160.05182	7.7
161.05936	2.6
163.03873	3.6
163.07492	8.4
167.07027	31.9
169.06413	2.3
171.06505	6.8
173.05962	4.2
174.06741	10.5
175.07527	15.1
177.05461	40.6
178.05981	2.0
178.07626	2.0
179.06924	1.8
179.56812	1.7
181.04935	100.0
182.05313	1.8
183.06529	12.3
186.06699	3.2
187.07481	7.2
188.08321	3.3
189.07193	3.5
189.09077	28.9
191.06932	4.0
191.08510	2.7
191.10629	2.1
201.09093	7.0
205.06534	3.7
205.08580	6.1
206.07227	2.6
207.08012	2.6
209.08055	53.2
215.08427	2.1
217.06447	5.2
217.08594	8.3
218.07217	9.3
219.07990	7.6
219.10051	36.5
221.07970	3.5
229.04947	1.8
231.08064	4.1
232.08777	1.7
233.09618	4.7
234.06789	6.6
235.07477	6.5
235.09567	2.7
237.08871	2.1
246.06790	3.8
247.07510	7.6
248.08258	3.8
249.09117	13.5
251.10622	1.8
259.07428	2.2
260.08243	3.5
261.09036	13.1
262.06287	4.0
262.09268	2.3
263.07016	3.8
263.10550	2.4
265.08734	3.4
266.09525	1.9
276.07684	2.7
277.08572	34.5
278.09216	8.1
279.10040	6.1
281.11569	3.1
289.08569	3.8
291.09970	5.9
293.08362	2.5
293.11652	5.7
294.08920	3.7
306.08865	2.7
307.09433	2.9
309.11121	14.4
311.12717	4.1
321.11172	7.7
325.10623	2.1
329.10876	2.4
339.12274	43.5
340.12637	4.4
341.13770	5.0
353.13995	3.7
359.14539	3.1
371.14880	31.7
389.08627	4.9
389.15967	42.9
390.16022	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03934	2.7
55.01862	33.9
55.05508	2.5
65.03933	7.5
65.14603	1.5
67.05493	5.7
69.03407	1.7
69.07059	3.2
69.95477	7.3
70.06593	1.2
77.33447	1.3
79.05486	5.8
81.03402	2.2
81.07042	5.8
82.04201	3.1
83.08652	1.3
83.52518	1.3
84.04475	1.4
85.02897	7.4
87.04436	1.6
89.03934	1.3
89.79594	1.3
91.05476	4.9
93.03391	2.0
93.07021	2.6
94.04150	1.9
95.04963	4.5
95.08606	4.2
97.02889	1.8
97.06543	6.7
97.17203	1.2
98.21465	1.5
103.05447	15.6
105.07004	3.2
107.04948	8.5
107.08577	2.8
108.02066	1.9
109.10117	1.8
110.03714	1.4
110.68898	1.3
111.04461	3.3
115.05466	2.3
117.03365	1.7
117.07011	4.4
120.85278	1.4
121.06477	4.3
121.10172	2.2
122.03613	3.3
123.04428	3.8
123.08170	1.3
125.05982	4.0
128.06219	1.9
129.06960	9.2
131.04886	17.5
133.06412	1.7
137.05960	32.3
137.07007	2.1
138.03145	2.3
141.06905	1.7
142.02603	3.5
145.02803	2.6
145.06477	5.0
147.04416	3.5
149.05933	9.6
153.05434	2.5
157.06468	8.0
158.07236	1.7
159.04456	2.1
160.05188	2.8
160.84180	1.2
161.05960	3.1
163.03845	1.6
163.07469	7.2
167.07024	22.5
171.06445	7.8
174.06749	3.7
175.07542	15.6
177.05446	42.7
181.04930	100.0
182.05284	2.0
183.06566	3.1
187.07559	2.2
189.09038	9.6
199.07452	1.9
205.08487	1.9
209.08055	58.0
217.08597	5.5
219.08038	1.5
219.10167	2.5
221.08031	1.8
231.08083	1.5
234.06740	2.1
235.09705	3.6
249.09134	3.9
250.09859	1.4
261.09143	2.6
265.08856	2.2
277.08609	5.6
278.09241	1.7
293.11835	1.9
309.11185	3.5
321.11221	2.9
339.12341	5.6
340.12637	1.5
341.13879	2.8
353.13892	1.7
359.14914	1.6
371.14948	10.1
389.15939	43.4
390.16431	2.6
390.22891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01863	43.7
55.75727	1.7
57.02081	1.9
60.09562	1.5
61.69130	1.6
65.03924	12.3
67.05476	7.5
69.03407	4.6
70.21256	8.0
79.05489	10.8
81.07040	2.9
82.04175	4.5
85.02912	9.1
91.05444	6.3
93.03371	2.4
93.07011	5.7
94.04180	2.2
95.04958	9.8
95.08570	3.2
97.02866	2.5
97.06508	6.7
103.05450	17.7
104.54431	1.6
105.06982	2.1
107.04958	15.6
108.02115	2.3
109.06486	3.9
110.03636	7.6
111.04411	4.4
115.05403	3.4
115.93808	1.7
117.07001	4.9
119.08537	1.8
121.06485	6.8
122.03621	7.3
123.04419	10.2
124.05189	4.0
125.05963	5.0
128.06226	4.5
129.06996	15.7
131.04924	23.8
131.08531	5.7
133.02783	2.1
133.06479	3.0
137.05966	55.3
138.03119	4.1
138.06285	2.2
140.04643	2.8
141.06949	4.4
142.02594	4.5
143.04907	1.9
145.06477	7.2
147.51083	1.5
149.05931	14.2
151.03867	1.7
151.07492	3.1
153.05406	4.3
157.06479	12.5
158.07268	2.2
159.04367	2.9
159.07899	3.0
160.05185	7.1
161.05989	3.8
161.09512	1.7
163.07498	10.8
167.07022	33.3
169.06421	3.1
171.06520	9.1
173.06012	3.5
174.06763	13.5
175.07509	21.5
177.05428	40.3
177.08977	2.3
181.04927	100.0
182.05247	3.6
183.06497	10.2
183.48886	1.8
185.05963	2.1
186.06760	2.0
187.07535	7.1
188.08195	2.7
189.07294	3.1
189.09071	33.5
191.06981	3.0
191.08591	2.3
191.60980	1.8
201.09097	8.8
203.08548	2.4
205.08482	2.8
206.07143	2.3
207.08115	2.1
207.13705	1.9
209.08052	60.5
215.08578	2.5
217.06453	7.3
217.08571	10.9
218.07193	9.4
219.07968	8.5
219.10138	37.6
221.07941	3.8
231.08047	2.1
233.05997	2.6
233.09593	4.7
234.06734	6.5
235.07397	4.5
236.08243	2.2
237.09163	2.2
246.06802	4.5
247.07462	6.2
248.08313	3.5
249.09053	13.3
250.09737	2.4
251.10684	2.2
261.09030	11.4
262.06265	3.2
262.09885	3.2
263.06866	3.3
264.07587	1.9
265.08435	3.1
266.09207	1.8
276.07617	2.5
277.08557	29.7
278.09229	4.5
279.09967	7.8
281.11581	2.4
289.08612	3.6
290.09125	3.3
291.10028	4.7
293.08612	3.6
293.11774	6.1
294.08774	3.2
295.09705	2.6
306.08838	4.3
307.09598	4.5
308.10571	3.0
309.11203	11.8
311.12619	3.8
321.10989	8.9
329.11200	2.1
339.12286	37.8
339.41135	2.4
340.12595	4.6
341.13760	5.4
353.13739	3.2
359.14966	3.0
371.14810	37.0
372.14941	2.0
389.08575	2.4
389.15933	42.8
390.16122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1223
Annotation	3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone
Peak:m/z	Relative Intensity
55.01848	0.4
56.54466	0.2
62.86718	0.3
65.22701	0.2
66.04693	0.6
68.02609	0.3
70.17661	0.9
70.18069	0.4
72.05901	0.3
73.39103	0.2
79.05437	0.5
91.05432	0.3
94.04153	0.4
101.41225	0.3
107.01301	1.3
107.04939	2.0
108.02040	0.3
109.02830	0.3
122.03577	0.5
123.04359	0.5
125.02280	0.4
135.00716	0.3
135.04370	1.3
137.02275	1.2
139.07472	0.3
148.05183	0.3
149.02310	0.3
149.05847	0.4
150.03058	0.3
151.07430	0.4
153.01845	1.2
155.03160	0.3
161.02272	0.5
163.03874	3.3
164.04573	0.9
167.03319	0.6
167.07016	3.5
177.05479	0.3
178.02676	0.4
178.06226	10.9
179.06856	0.6
181.01311	1.4
181.04855	0.9
182.02136	0.6
183.02789	1.0
185.00809	0.3
185.52943	0.3
186.06874	0.3
191.06995	0.3
196.03639	3.7
197.04445	1.4
198.52710	0.3
200.04480	0.4
205.04956	0.5
214.04636	1.0
215.06917	0.6
217.04926	0.3
222.05135	0.6
225.05428	0.5
226.06119	0.3
227.03264	0.3
228.03909	0.4
229.08611	0.3
232.07234	0.4
238.02527	0.6
239.03203	0.4
241.05049	0.3
241.08522	0.4
242.05667	0.8
243.06421	1.0
245.04362	0.5
247.06056	0.6
252.04172	0.4
253.04831	0.3
254.05673	0.3
255.02777	0.7
256.03604	0.5
257.04407	0.4
257.08136	0.3
260.06775	4.8
261.07281	0.3
267.02777	0.4
269.08011	0.9
270.05093	2.0
271.05878	2.2
272.06784	0.6
273.03851	0.5
275.05524	0.5
275.09067	0.4
281.04684	0.3
282.05197	0.3
283.02368	0.8
283.05927	0.3
284.03131	0.6
285.04214	0.3
285.07419	1.2
287.05466	0.7
288.06137	2.1
289.06952	0.3
297.04163	0.4
297.07538	0.9
298.04745	1.9
299.05444	6.1
299.08868	0.4
300.06122	0.8
301.03436	0.4
301.06659	0.3
303.08481	1.8
313.03619	0.4
313.06848	1.5
315.05023	1.5
315.08258	0.4
316.05527	1.4
325.06940	0.8
326.04276	1.4
327.04950	1.2
327.08450	0.5
328.05630	1.0
328.09348	1.8
329.02847	0.7
329.06415	0.5
329.09973	0.4
330.07455	0.3
331.08051	8.7
332.08508	0.4
333.13083	0.4
341.06500	1.5
342.06989	0.4
343.04349	2.5
343.08154	1.7
344.05093	3.9
344.08945	0.4
345.09506	1.7
355.08011	0.4
356.08896	2.0
357.09573	0.8
358.06689	0.9
358.10675	0.4
359.07547	51.7
360.07944	2.5
373.09103	4.5
374.05005	0.6
374.09891	11.9
389.12244	100.0
390.12546	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	387.2007
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03938	5.4
55.01863	3.2
55.05474	2.8
57.03417	10.9
57.07059	3.5
59.04998	3.1
61.02906	9.4
67.05482	7.1
69.03419	29.8
69.07045	5.2
69.60362	9.7
69.60787	9.0
70.06586	8.0
71.04992	5.2
72.08132	2.7
73.02911	7.2
79.05470	4.5
81.03400	10.7
81.07056	6.0
83.04958	7.1
84.04488	2.8
84.08110	5.4
85.02380	4.8
85.02893	78.5
85.06509	3.6
86.09706	15.1
87.04429	7.0
91.03926	6.9
91.05479	4.1
93.07030	4.4
95.04953	4.4
95.08575	8.9
95.84881	2.4
97.02879	31.8
97.06512	8.5
99.04445	6.2
105.07033	11.1
107.08566	9.4
109.02862	9.3
109.06496	4.2
109.10152	5.0
117.06985	2.4
119.08556	7.4
121.06487	5.3
121.10105	9.4
122.07278	2.6
122.20529	2.9
123.05560	15.4
123.07166	3.0
123.08060	56.5
125.05979	9.0
127.03894	26.8
131.08549	4.7
133.06429	4.7
133.10104	5.7
135.08011	3.0
135.11658	3.8
137.05945	4.4
145.04942	35.5
145.10081	5.8
145.79826	2.5
147.08061	3.2
147.11688	6.7
151.07513	100.0
152.07886	2.8
153.09103	5.5
163.05975	2.5
163.11179	44.9
164.11423	3.0
165.09048	3.6
165.12714	3.2
167.07039	14.0
181.12224	38.3
189.12735	21.1
191.14264	6.3
207.13789	83.6
209.15416	5.6
221.08104	2.7
225.14853	17.7
233.08347	2.5
338.08292	3.0
387.10992	4.3
387.15698	4.0
387.20135	42.3
390.61337	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2005
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03925	4.0
55.01855	3.0
55.05495	1.7
55.21531	1.1
57.03435	8.7
57.07056	4.4
59.04984	4.2
61.02916	10.0
67.05490	5.0
69.03424	27.6
69.07048	1.4
71.01379	1.0
71.04977	4.2
71.10194	2.8
73.02897	4.7
78.41618	1.1
79.05478	4.2
81.03425	11.5
81.07057	7.1
83.01329	1.2
83.04963	3.1
85.02894	82.4
85.06525	2.7
85.31733	1.0
87.04472	5.6
89.62056	1.0
91.03952	6.0
91.05446	2.7
93.07029	4.4
95.04968	5.3
95.08588	9.8
97.02880	27.4
97.06512	3.7
99.04434	7.3
105.07027	8.0
107.08572	4.2
108.05727	2.3
109.02881	9.0
109.06503	4.2
110.65915	1.1
117.07005	1.0
119.08562	6.7
119.27929	1.2
121.06480	6.5
121.10105	4.7
122.07268	1.6
123.08060	60.7
125.05988	9.5
127.03905	20.4
131.08551	1.9
132.89401	1.0
133.06448	5.5
133.10100	4.8
135.08049	3.1
135.11615	2.7
137.05986	10.0
143.08511	1.8
143.98564	1.1
145.04942	32.4
145.10117	3.8
147.08247	1.3
147.11668	3.8
149.09583	3.1
151.07520	100.0
152.07851	1.5
153.09119	2.9
161.13181	1.8
163.05991	2.6
163.11162	58.6
167.07089	1.9
171.11647	1.6
174.10402	1.4
181.04964	1.7
181.12218	36.4
189.12721	17.5
191.14192	2.4
207.13779	69.8
208.14131	3.1
209.15367	4.8
213.58591	1.2
223.13216	1.3
225.14824	13.0
342.03052	1.2
387.15067	2.0
387.20090	45.4
388.20566	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	387.2524
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03934	4.0
55.01865	7.6
55.05285	1.2
55.05509	17.5
57.03424	2.8
57.07069	1.9
65.03925	2.7
67.05495	27.1
67.21130	1.3
67.68292	1.4
69.03428	7.7
69.07060	17.8
70.29135	3.4
71.04965	3.6
79.05480	26.0
81.03413	19.9
81.07047	31.1
83.04973	7.0
83.08599	5.1
85.02886	3.9
85.06544	1.9
91.05470	30.3
93.07030	26.0
95.01317	3.1
95.04957	13.2
95.08598	20.2
97.02882	6.4
97.06513	4.4
97.10133	3.2
99.04427	1.4
99.08057	1.4
103.05455	2.0
105.07011	29.0
107.04945	7.7
107.08583	14.4
109.02872	2.8
109.06503	3.4
109.10155	8.4
111.04451	7.0
111.08043	2.1
115.05436	4.5
117.07012	20.2
119.08563	27.1
121.06506	4.8
121.10136	9.5
123.04429	8.6
123.08066	2.6
123.11700	3.2
125.09657	1.7
128.06184	6.6
129.06993	19.9
130.07706	1.4
131.04933	1.8
131.08553	29.8
133.06451	6.0
133.10109	14.4
135.04395	2.4
135.08037	4.3
135.11723	6.1
137.05983	3.0
137.09579	2.8
141.06950	8.3
142.07765	4.3
143.08525	20.3
144.09305	1.5
145.06483	8.0
145.10092	23.5
147.04346	1.3
147.08018	6.7
147.11665	9.1
149.05969	2.8
149.09590	2.1
149.13217	2.4
151.07515	3.2
151.11182	1.7
154.07831	1.4
155.08528	10.5
156.09309	2.2
157.06517	7.3
157.10104	17.8
159.08057	8.2
159.11653	16.5
161.05939	4.4
161.09621	6.2
161.13268	4.9
163.07556	2.3
163.11159	1.5
164.71498	1.2
165.06993	2.0
165.09145	1.6
165.85817	1.2
166.07817	1.5
167.07106	1.4
167.08577	4.0
168.09346	2.0
169.06450	2.5
169.10095	10.6
170.07265	1.8
170.10979	1.5
171.08064	7.9
171.11638	14.6
173.06013	1.6
173.09583	5.4
173.13243	10.4
175.07494	5.2
175.11163	4.1
175.14819	2.1
177.12738	2.2
179.08492	2.0
181.10112	7.0
182.07277	1.6
183.08046	3.4
183.11676	12.1
185.09641	7.7
185.13235	9.5
187.07494	2.5
187.11165	6.3
187.14822	4.2
189.09103	2.5
189.12741	2.3
193.10089	1.9
195.11707	6.3
197.09566	3.4
197.13287	6.6
199.11169	4.4
199.14815	6.5
201.09073	2.2
201.12677	2.1
203.10698	2.5
203.14207	1.3
207.11716	1.6
209.13332	2.8
211.11249	3.3
211.14819	3.9
213.12682	5.0
213.16354	1.8
215.14250	4.2
217.12212	3.2
221.13206	1.9
223.14828	2.2
225.12701	2.7
225.16434	1.7
227.14285	4.6
227.17950	1.4
229.15868	1.9
231.13832	3.9
239.14264	2.8
241.15823	2.5
253.15930	2.6
253.19479	2.1
255.17337	2.0
257.15350	1.8
275.20184	1.6
277.21658	4.7
285.22098	2.2
289.21680	2.7
297.22101	3.9
299.16504	1.5
299.23743	1.3
301.21567	4.0
303.23291	2.8
304.95206	1.4
313.17926	1.6
313.21622	3.2
313.25110	1.6
315.23267	1.9
323.23657	3.5
325.21710	2.0
327.19690	1.9
327.23041	7.7
333.22137	3.1
339.22943	1.3
341.24719	15.1
343.22632	2.1
345.24258	2.0
351.23096	18.3
359.26010	1.3
369.19351	1.5
369.24203	68.9
370.24481	5.3
387.25241	100.0
388.25653	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	387.1432
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.00714	0.3
55.01854	1.2
55.05494	0.6
57.03419	0.5
58.07744	0.3
60.66370	0.3
65.03917	1.2
66.04697	0.4
67.05492	1.0
68.49738	0.3
69.03409	0.7
69.07040	1.0
71.59089	0.4
71.59482	0.5
74.16152	0.3
79.05479	2.2
81.03394	0.5
81.07027	1.0
83.08584	0.3
85.02895	1.0
91.05450	1.7
93.03359	0.6
93.07030	0.6
94.04160	3.7
95.04935	1.0
95.08568	0.4
97.02896	0.6
97.06512	8.8
103.05448	2.2
105.07037	0.8
107.04925	1.4
109.06499	0.5
110.03615	0.8
111.04411	0.7
115.05457	2.0
117.06997	2.1
118.04185	0.6
119.08553	0.5
122.02808	0.6
122.03635	8.3
123.04380	1.0
125.05952	0.6
125.52135	0.3
129.06943	0.4
130.04213	0.4
131.04906	1.6
131.08659	0.4
133.06444	0.8
135.04381	0.4
135.07948	0.3
137.05952	100.0
138.06256	1.9
143.04936	3.2
145.06438	2.9
147.04350	0.4
148.05188	1.1
149.53806	0.3
151.03900	6.7
151.05025	0.7
153.05524	0.5
153.06873	0.4
155.06039	0.6
161.05936	1.1
161.09549	0.5
162.06694	0.6
163.07503	1.8
165.09138	0.5
167.07021	11.2
171.04385	0.4
171.06541	0.8
173.05960	3.7
175.07524	1.1
177.05426	0.6
181.04935	15.3
181.06264	0.5
182.05276	0.6
183.11557	0.3
187.07539	0.5
189.05435	0.8
189.09053	0.4
191.06998	7.0
191.08687	0.4
199.07465	0.7
201.09187	0.5
203.06926	1.9
205.08546	1.9
207.10080	0.7
211.07680	0.4
215.06815	0.6
225.09039	0.4
233.08083	1.2
235.07562	0.5
235.09570	2.4
237.09187	0.4
245.08040	0.6
253.12212	0.8
255.06424	0.7
267.10345	0.4
279.10324	0.4
281.11819	0.5
286.95602	0.4
297.11200	0.6
297.14685	0.6
323.12729	0.6
325.10684	0.7
341.13885	1.9
345.09360	0.5
351.12018	0.8
355.11783	0.4
357.13269	12.9
369.13211	1.5
387.14331	29.4
388.14633	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	387.1434
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
51.80764	0.3
55.01869	0.6
64.00601	0.3
65.03901	0.4
67.05479	0.6
69.98996	1.6
79.05468	1.2
81.07086	0.5
85.02969	0.3
87.17204	0.3
91.05469	0.5
93.07014	0.3
95.08586	0.4
97.06528	0.4
103.35218	0.4
105.07044	0.4
105.38241	0.3
107.04926	0.6
109.02919	0.3
109.10110	0.5
110.03629	0.6
115.92973	0.3
117.07029	0.3
125.06003	1.1
135.05940	0.3
137.05988	0.3
137.95132	0.3
138.03110	6.2
141.01790	0.7
147.11546	0.5
153.05446	100.0
154.05777	1.6
157.65230	0.4
165.01820	4.6
166.02094	0.5
167.07083	0.5
168.03217	0.3
168.54131	0.3
179.03371	3.5
183.02907	3.4
185.03343	0.4
191.03358	5.6
217.04907	0.3
225.05432	0.6
253.04924	0.9
270.05246	1.6
285.07495	1.1
298.04504	2.2
302.05087	0.3
309.32019	0.4
313.07016	34.6
314.07306	0.9
330.06830	0.9
331.08060	46.3
332.08484	1.1
369.13281	1.0
369.24112	0.4
386.32559	0.4
387.14319	3.9
387.25354	0.5
401.25613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88969	0.9
60.12305	0.7
60.59538	0.8
69.03424	1.5
69.78658	0.8
70.06583	2.1
70.82449	1.8
70.82825	1.7
72.08137	0.9
85.02879	3.0
86.09678	1.2
95.04972	1.6
97.02859	1.3
123.04433	1.6
123.07992	1.4
129.26353	1.0
151.07503	1.6
163.11116	1.1
165.06999	3.0
167.07034	6.2
167.08545	14.2
177.06975	3.9
178.07790	4.4
179.08499	2.9
181.06406	1.9
181.10106	1.9
183.07964	1.9
190.07686	1.6
191.08528	29.3
192.08980	1.3
193.08691	0.9
193.10138	7.6
194.07253	2.4
194.09612	1.0
195.08029	11.5
197.09581	1.7
199.07544	0.9
202.07744	3.8
203.08553	4.3
205.06474	2.9
206.80315	0.9
207.08018	4.6
207.13718	1.6
208.08960	2.1
208.11130	1.9
209.09572	3.5
210.09085	1.7
212.10667	2.6
217.08936	1.0
218.07330	1.8
218.09581	3.0
219.08034	33.8
220.08585	2.3
221.09648	9.9
222.08864	1.3
223.07510	8.3
224.10654	2.0
225.09061	3.5
225.11240	1.5
225.14871	1.3
227.07031	2.4
229.07637	2.1
236.08337	1.2
236.10664	36.1
237.09056	4.6
237.11203	1.5
238.12241	24.3
240.10176	26.2
241.08377	1.3
241.10588	1.2
247.07518	3.5
250.05705	0.8
251.06966	2.2
253.13326	100.0
254.11613	20.1
254.13724	2.9
257.95676	0.9
261.55450	1.1
264.10187	2.3
265.08578	11.6
267.10117	1.8
269.08075	3.1
278.11874	1.8
280.13330	1.0
282.11203	43.6
283.11612	2.0
284.12653	1.8
286.10770	2.4
295.14383	23.9
295.17542	1.8
296.12500	1.0
299.13861	64.0
300.11710	4.3
311.09131	1.3
323.13986	2.5
324.12149	5.9
327.13306	1.2
328.11737	11.0
341.14923	87.1
342.13495	3.3
342.14835	3.2
345.14383	21.2
369.14832	1.6
370.12521	2.4
387.15939	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1283
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.03941	0.5
53.36644	0.2
55.01855	0.4
55.05496	0.2
57.03416	0.5
57.96716	0.2
60.04525	0.2
69.03404	0.6
70.06584	1.1
70.42216	0.2
72.08146	2.3
77.03924	0.2
78.04704	1.6
79.05474	1.5
81.03390	0.6
81.04507	0.2
81.07034	0.7
83.04982	0.2
84.08119	0.3
85.02887	1.4
86.09690	3.0
87.49425	0.2
91.05457	1.3
93.07027	0.8
95.01307	1.6
95.04970	1.0
96.05738	0.3
97.02876	0.7
98.21487	0.4
103.05434	0.9
104.31625	0.2
105.07013	1.8
106.04161	1.1
107.04940	1.6
108.15739	0.2
109.02853	0.5
109.06500	0.4
111.04401	0.2
116.07004	0.3
117.06911	0.2
119.04926	0.3
119.08548	0.3
120.08034	0.2
121.06483	1.3
121.10121	0.3
122.03606	0.2
123.04413	5.1
123.08047	0.5
124.05208	1.9
125.05961	0.3
127.03869	0.4
129.01775	0.3
131.04927	0.3
133.06482	1.3
133.10152	0.3
134.03519	0.4
135.04424	0.3
135.08018	0.2
137.02306	0.2
137.05956	1.1
139.07527	0.2
140.04572	0.2
141.01823	0.6
149.05934	1.7
151.03889	1.0
151.07510	0.4
152.04645	1.6
153.05405	0.2
161.05971	0.9
163.11105	0.2
165.05545	0.2
166.06181	0.3
167.07013	100.0
168.07388	1.8
175.10788	0.7
177.03955	0.3
177.05452	0.4
179.06989	0.6
181.08592	1.5
185.16507	1.2
189.12650	0.3
193.08588	4.2
207.13824	1.8
211.09633	2.9
213.15956	0.8
225.12541	0.2
225.14824	0.5
253.13324	0.5
369.13950	0.3
369.19556	0.2
387.12125	0.3
387.16260	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	386.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.8
57.03419	2.5
57.07066	12.6
59.04985	2.0
59.62278	1.0
61.02903	3.5
69.03432	6.0
70.06584	1.1
71.04994	1.2
71.62347	1.8
73.02910	1.6
73.06550	2.1
79.05497	2.2
81.03405	5.1
81.07012	1.1
83.04958	1.6
83.08588	3.1
85.02899	22.6
87.04467	1.5
89.06023	69.9
91.03955	1.3
91.05457	1.6
93.06988	1.1
94.70638	1.0
95.08625	1.1
97.02898	7.2
97.06517	2.3
99.04523	1.0
101.09650	10.9
105.07006	3.0
107.04974	1.3
107.07052	3.4
107.08622	1.4
109.02876	1.9
109.06497	1.3
109.10124	1.1
119.08545	2.5
119.10693	1.0
121.10118	1.7
123.04391	1.5
123.08077	5.9
125.05972	1.2
127.03882	4.9
133.08598	21.1
135.08058	0.9
137.05971	5.6
137.39847	1.0
145.04919	3.8
145.12222	11.3
147.11620	2.3
149.09598	1.4
151.03929	1.3
151.07620	10.1
151.09631	27.4
163.11203	7.0
165.12717	1.1
167.06995	2.3
173.06023	1.0
181.12219	2.9
189.12738	1.4
201.05431	1.2
202.05785	3.5
203.06490	1.0
207.13840	12.3
207.15874	100.0
208.16260	4.4
225.14793	1.7
229.69276	0.9
257.13907	1.3
387.15280	1.7
387.20056	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	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12183	2.5
52.72246	2.1
53.03938	4.0
55.01852	4.6
55.05495	12.2
57.03435	5.9
57.07063	11.8
59.04982	6.1
67.05502	16.8
69.03407	6.4
69.07035	6.4
69.10468	2.4
71.04972	6.9
79.05477	12.1
81.03414	2.8
81.07043	21.2
83.04975	4.3
83.08598	9.1
84.08137	100.0
85.06533	6.8
85.88235	2.3
91.05480	27.1
93.07033	28.1
95.04973	15.7
95.08600	21.8
97.06544	12.4
98.21512	5.2
99.04461	5.1
105.07018	38.2
107.04955	4.2
107.08586	39.0
109.06512	11.7
109.10151	7.8
111.04433	6.0
111.08053	14.4
116.06193	4.2
117.07024	13.5
119.08572	39.0
121.06468	10.3
121.10084	12.4
123.08060	32.3
123.11683	3.1
129.06978	10.0
130.07787	4.8
130.08676	8.4
131.08556	35.8
133.06433	6.3
133.10146	15.1
135.08072	12.9
135.11679	26.5
137.05943	25.8
137.09616	4.8
139.07545	3.9
141.07022	3.2
142.07845	2.6
143.08543	9.9
144.09322	9.6
145.06483	5.6
145.10100	35.3
147.08063	14.3
147.11546	7.7
149.09610	9.6
151.07527	86.1
153.09062	4.5
156.09303	3.3
157.10127	9.8
159.08067	15.0
159.11694	38.8
161.09607	10.8
162.10374	6.0
163.07526	4.4
163.11179	33.0
165.09126	9.7
167.07062	4.3
169.10091	8.4
171.11694	5.6
172.08859	6.0
173.09624	6.5
173.13316	3.5
175.11125	3.4
177.09164	16.7
177.12724	20.9
183.11687	4.3
187.11172	33.4
189.12759	15.2
191.14322	3.1
193.04962	3.5
197.13310	5.9
199.11137	4.3
203.14287	4.9
205.12222	55.5
207.11565	3.6
207.13789	5.1
209.13344	4.5
209.15283	3.7
215.14417	3.5
217.12218	3.4
221.15384	9.5
229.12314	2.9
233.15338	5.2
246.15968	4.0
286.19305	14.2
322.31003	7.2
329.10260	5.1
357.09671	4.3
367.22473	12.4
385.09097	6.5
385.16492	3.4
385.23703	85.6
385.34134	14.5
386.24091	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.2
55.05507	7.6
57.03422	2.1
63.10680	1.4
67.01849	6.7
67.05488	8.1
68.31223	1.4
68.99773	2.9
69.03419	34.5
69.07055	8.5
70.33037	1.5
70.88415	4.2
71.04987	2.0
75.34976	1.5
79.05484	15.5
81.03406	3.6
81.07040	11.5
83.04972	2.6
83.08609	2.4
85.02904	2.3
85.06545	1.9
91.05489	13.2
93.07017	11.9
95.04968	8.1
95.08589	6.6
97.02865	1.9
97.06517	27.0
97.10178	2.3
103.05457	2.0
105.03395	1.7
105.07007	20.6
107.04912	3.7
107.08575	10.4
109.06493	6.7
109.10126	3.9
115.05421	3.7
117.07008	28.8
119.04897	4.5
119.08539	7.6
121.06475	5.3
121.10142	9.3
122.07333	2.0
123.04409	9.1
123.08051	15.3
125.09613	3.1
127.03936	1.6
128.06198	2.1
129.07030	4.6
131.08556	9.5
133.06485	11.7
133.10106	5.3
135.04410	2.1
135.08037	29.2
135.11633	3.8
137.02330	2.3
137.05960	7.4
139.07530	1.6
141.07011	1.6
142.07773	1.6
143.08517	5.7
145.06461	3.6
145.10120	10.8
147.04341	3.5
147.08054	7.9
147.11655	3.3
149.02298	1.8
149.09637	2.4
149.13289	1.7
151.03940	1.8
151.07512	21.6
153.01807	68.1
154.02145	4.2
155.08510	4.2
157.10107	4.9
159.08022	8.8
159.11740	2.6
161.05959	2.4
161.09592	4.0
163.03882	7.6
163.07533	3.0
163.11150	6.0
165.09134	4.4
166.02591	6.5
167.07114	7.4
167.08362	2.2
169.06474	2.1
169.10043	4.0
171.02864	38.5
173.02266	3.2
173.09587	2.4
173.13223	2.4
175.11099	2.5
177.09090	100.0
178.09433	3.7
179.03366	15.2
181.10107	2.7
183.11694	2.7
187.07553	2.7
187.11101	2.7
189.09128	3.5
189.12744	3.8
197.09593	2.1
197.13194	2.4
199.07516	2.7
199.11121	2.3
205.08476	1.7
205.12231	10.4
207.11783	2.4
207.13780	3.2
215.06975	5.5
215.10646	2.1
221.15245	2.5
227.14308	2.5
233.11568	2.8
259.09668	8.7
270.05338	1.4
271.05878	1.8
284.17303	3.9
287.05493	6.2
288.05447	1.8
297.14706	1.8
298.04532	1.8
299.05334	4.6
311.16415	1.8
327.19385	1.8
328.40823	1.9
339.23267	2.2
341.10123	2.0
349.21811	2.1
357.09656	4.0
367.11588	6.1
367.15433	3.8
367.22580	10.2
385.12720	25.8
385.16891	3.2
385.23627	25.5
385.31235	2.0
386.13007	3.9
386.24106	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	385.2367
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
54.42650	2.6
55.05492	11.7
56.40191	2.5
57.03431	2.9
57.07051	6.9
59.05005	5.7
60.61410	2.4
67.05476	11.8
69.03413	9.9
71.04959	3.8
71.39452	6.6
79.05474	11.7
81.03409	3.3
81.07043	17.2
83.04983	5.2
83.08591	12.1
85.06546	4.3
87.04469	2.9
91.05468	32.0
93.07017	28.1
95.04938	12.7
95.08588	21.5
97.06519	15.9
99.04420	2.9
103.05430	3.9
105.07011	38.0
107.04928	5.5
107.08575	40.7
109.06496	15.2
109.10120	6.3
111.04421	7.2
111.08057	18.9
113.09602	5.1
115.05398	4.5
116.06240	3.9
117.06994	11.5
119.08564	42.5
121.06489	9.7
121.10135	11.8
121.34811	2.9
123.08045	41.7
123.11704	3.5
125.09592	6.5
126.62498	2.4
128.06175	5.4
129.06999	4.4
130.07761	7.1
131.08548	36.4
133.06488	5.1
133.10117	16.7
135.08006	14.2
135.11678	27.7
137.05934	19.3
137.09653	4.4
139.07494	5.2
139.11163	3.2
142.07733	3.8
143.08548	11.5
144.09309	9.9
145.10081	44.7
147.08005	13.2
147.11664	7.9
148.15141	2.9
149.09621	15.3
151.07521	78.2
152.07750	2.6
153.09103	4.5
155.08495	4.0
155.10626	3.7
156.09320	4.7
157.10085	10.4
159.08002	20.9
159.11668	46.9
161.09624	13.1
161.13245	2.8
162.10300	5.1
163.11169	29.3
164.11580	2.7
165.09120	14.7
169.10127	8.5
171.11703	10.9
172.08801	6.0
173.09589	5.5
173.13306	3.4
175.11168	8.5
176.41386	2.8
177.09105	19.7
177.12704	26.2
181.10136	2.9
183.11658	6.8
185.13225	4.1
187.11168	28.0
187.14690	3.0
189.12764	18.7
191.14226	4.0
197.13229	7.4
199.11163	5.0
203.14200	6.6
205.12184	45.6
207.13754	3.2
209.13371	3.1
209.15335	5.6
211.11288	3.2
215.14250	3.3
217.12199	6.0
221.15332	6.3
233.15428	3.4
246.16057	5.2
273.18414	3.7
281.19022	2.8
286.19199	14.8
307.20432	3.5
311.16452	4.1
357.09573	5.1
367.22629	13.3
385.08984	4.9
385.16431	4.7
385.23651	100.0
386.23837	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	385.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65808	0.6
54.35847	0.7
55.05478	0.9
57.03427	1.1
61.02895	1.2
67.05493	1.4
67.44353	0.6
69.03429	3.7
70.06580	3.0
70.76784	0.7
70.77135	1.6
71.04967	1.9
72.08149	0.7
73.02903	1.1
79.05481	1.6
81.03395	2.3
81.07040	1.5
83.04989	0.7
84.08128	1.2
85.02882	8.1
86.09671	1.7
91.05475	3.1
93.07013	1.1
94.04142	0.6
95.04954	1.8
97.02893	3.8
97.06510	0.8
103.05447	0.7
105.07014	1.4
107.04925	1.3
107.08585	1.6
109.06506	0.9
115.05437	2.3
117.05739	1.0
117.06970	1.7
118.06526	27.3
119.05029	0.7
119.08580	1.0
121.06504	1.0
121.10111	0.8
123.04432	1.1
123.07986	1.0
127.03860	1.4
130.06509	21.1
131.04915	1.3
131.07317	1.0
131.08527	0.8
132.08080	6.6
136.55519	0.7
137.02333	3.8
137.05963	4.6
140.04692	0.8
142.06491	1.3
143.04842	1.0
143.07272	1.1
144.08080	5.7
145.04939	2.1
145.06483	2.0
145.96515	0.7
146.05984	15.9
147.04417	1.8
147.07980	0.7
149.09558	0.7
151.03902	0.8
155.07021	1.0
156.08081	0.8
158.03632	2.0
160.07561	26.8
161.05870	0.7
161.08022	1.1
161.09520	0.8
162.48723	0.7
163.11072	0.9
165.05431	0.8
165.12735	1.0
167.07039	3.7
170.05978	9.7
173.05997	3.6
177.05493	1.1
186.03114	2.2
188.07039	29.9
189.05457	1.1
189.07149	0.9
191.06993	1.0
193.12221	0.8
201.05431	32.4
203.06961	1.2
205.12215	3.3
206.08104	100.0
207.08295	2.1
209.06026	0.8
213.05376	1.8
223.13234	2.2
231.06444	2.0
248.09122	1.2
263.06973	1.0
295.09711	0.8
297.07535	0.8
303.06351	0.7
307.09296	0.8
309.09616	0.7
321.14584	0.8
335.09021	1.7
350.12488	0.7
367.15784	0.8
385.05832	2.9
385.13123	2.2
385.18274	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	385.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03934	1.3
55.01868	5.6
55.05506	5.6
57.03419	1.8
59.05011	0.5
65.03919	1.3
67.05494	11.1
68.99786	1.4
69.03409	2.0
69.07058	9.8
71.04967	1.9
71.59565	0.9
79.05482	21.3
81.03395	2.8
81.07040	10.6
83.04974	2.2
83.08604	2.1
85.06548	0.9
87.00847	0.6
91.05470	16.5
93.07028	8.3
95.04968	6.0
95.08604	5.8
97.02890	1.4
97.06517	100.0
97.10170	0.8
98.06865	1.3
102.71349	0.6
103.05457	1.5
105.03369	0.7
105.07014	9.8
107.04929	4.3
107.08571	4.0
109.06496	2.4
109.09469	0.6
109.10117	2.9
113.05980	0.8
115.05461	2.6
117.06998	4.0
119.04917	2.2
119.08559	6.4
121.02848	0.7
121.06496	1.4
121.10129	1.9
123.04424	2.7
123.08075	1.1
125.09521	0.6
128.06213	1.6
129.06981	5.5
131.04915	3.6
131.08557	4.8
133.06456	2.1
133.10101	5.3
135.04344	2.8
135.08058	1.1
135.11682	1.2
137.02319	1.3
137.05952	4.0
137.09612	0.7
141.06966	2.3
142.07738	1.4
143.08510	2.8
145.06451	4.8
145.10095	1.7
147.04388	29.3
147.08052	1.2
147.11658	3.1
149.02339	0.9
149.05989	1.0
149.09634	1.0
153.01784	3.0
153.05562	1.1
153.06981	2.6
155.08502	3.2
157.06488	1.8
157.08995	0.6
157.10085	3.2
159.04381	1.0
159.08041	1.9
159.11671	2.0
160.05197	1.1
161.05984	4.7
161.09570	0.8
162.06734	0.6
163.03897	12.4
163.07555	2.6
163.11172	0.7
164.04512	0.7
165.05563	1.3
165.07004	2.5
166.07779	0.8
167.07010	5.3
167.08513	1.6
168.05707	0.7
169.06514	2.5
169.10123	2.3
170.07213	0.9
171.08069	3.3
173.05963	6.4
173.09663	1.2
175.03888	6.0
175.07472	1.4
175.11140	4.4
176.04651	2.7
176.11934	6.5
177.05464	3.4
177.09134	1.0
177.12698	4.3
179.08536	2.2
181.06508	2.5
181.10158	1.0
182.07124	0.9
183.08064	3.8
185.05978	2.3
185.09610	2.2
186.06758	1.7
187.03906	1.5
187.07516	4.8
189.05461	6.3
189.09105	1.9
191.03377	13.3
191.07014	0.7
192.04155	3.2
193.04965	4.6
193.12250	2.7
194.07169	0.9
195.07974	3.1
195.11880	0.6
197.05981	3.7
197.09537	3.7
198.06740	1.1
199.07539	6.1
199.11198	2.4
200.04668	0.9
200.08205	1.1
201.05428	4.8
201.09065	13.1
202.09499	0.6
203.03355	6.6
203.07048	1.1
205.04904	1.4
205.06712	0.6
205.08565	2.0
205.10281	0.7
207.08070	2.2
208.08826	1.3
209.06036	1.1
209.09628	2.5
210.06700	1.6
211.07500	7.1
211.11217	1.5
212.08260	1.1
213.05505	3.9
213.09084	1.9
214.06149	1.3
215.06992	5.1
215.10707	1.8
215.14279	0.8
216.04128	1.5
217.04945	7.1
217.08426	1.0
221.09605	1.6
222.10146	0.7
223.07483	2.9
223.11098	1.5
224.08322	1.1
225.05609	1.1
225.09067	10.2
225.12576	1.1
226.06262	1.1
227.06956	4.0
227.10692	2.1
227.14227	0.8
228.07784	1.0
229.04926	13.1
229.08466	4.0
230.05595	1.6
231.06528	1.4
235.07487	1.1
235.09486	0.8
237.05602	0.8
237.09122	1.0
239.07027	2.1
239.10609	2.2
240.11401	0.8
241.04930	1.0
241.08582	2.6
241.12224	3.2
242.05714	1.0
243.06514	13.6
243.10078	3.4
244.07030	1.3
245.08026	1.1
249.09135	0.8
249.12808	1.2
251.07080	1.1
251.14316	1.8
253.08578	2.5
253.12257	1.9
255.06503	7.3
255.10199	2.4
255.13835	2.4
256.06891	0.8
257.08096	2.2
265.08649	1.1
265.12207	0.7
267.06546	1.1
267.10156	2.9
269.08051	5.4
270.08792	1.1
271.09665	9.2
273.14874	0.7
279.06564	1.2
279.13831	2.0
281.08032	2.3
281.11908	1.0
283.09695	2.2
283.13165	1.3
285.11285	1.4
285.14612	0.8
289.10733	1.2
293.15399	1.4
295.10242	0.8
295.13321	2.4
297.11566	0.9
297.14832	15.4
298.15240	1.1
299.09030	0.7
301.10577	0.7
303.13770	1.1
307.13120	2.8
308.13983	1.7
311.12839	0.7
311.16364	1.4
313.17917	0.8
315.08725	0.6
321.14850	6.6
323.12808	4.9
323.16296	1.2
325.10660	1.1
325.14285	10.0
326.14786	0.8
331.13193	1.6
335.09271	1.0
339.11938	0.4
339.15857	11.7
339.22592	0.9
340.16251	0.7
341.13773	3.3
341.17014	3.7
349.14261	5.9
349.21243	0.7
350.14633	0.9
357.09726	1.9
367.15375	45.3
367.22812	2.8
368.15738	4.0
385.08640	1.0
385.12726	2.3
385.16455	18.8
385.23743	14.0
385.28162	1.1
386.16940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1275
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
61.57865	0.3
67.05487	1.0
71.20737	0.4
71.21073	0.7
79.05490	0.8
81.07036	0.6
91.05460	0.7
92.99749	0.4
95.04962	0.4
97.06515	0.4
105.03318	0.4
105.07018	0.4
107.04915	0.8
121.06464	0.5
129.07010	0.4
131.25827	0.3
134.03589	1.5
137.05968	2.1
143.08575	0.3
145.06424	0.4
147.04344	0.4
149.05943	0.4
151.03851	0.8
153.01805	0.9
163.03873	0.6
165.01859	0.3
165.05490	0.6
172.05209	0.5
173.06000	0.4
175.03854	0.8
176.01059	0.5
177.01799	0.7
179.07034	0.5
181.06529	0.4
191.03485	0.4
194.02075	0.6
197.05939	0.5
200.04643	0.7
201.05408	1.4
203.03395	1.9
203.07060	0.5
208.03622	0.5
209.09627	0.4
214.06477	0.4
218.05658	0.6
219.06433	0.7
221.04430	1.8
226.06267	0.4
230.58633	0.3
235.07471	0.6
236.06766	1.1
237.05331	0.6
239.07047	0.4
241.04922	1.5
242.05618	0.7
245.15256	0.4
253.04930	1.5
253.08580	0.8
257.04422	0.4
261.09039	0.5
263.07086	1.0
265.04916	1.0
265.08615	0.3
267.06519	2.3
268.11072	0.3
269.08054	0.5
270.05200	1.5
277.08591	1.2
278.09265	0.7
281.04721	0.7
281.08023	4.3
282.05371	1.5
285.03943	0.4
286.04495	0.5
291.06473	0.8
292.07394	0.6
293.04611	0.5
295.05991	1.9
295.09631	1.5
296.06592	0.6
296.10303	0.7
297.07611	2.0
298.04642	14.1
299.04977	0.4
301.06927	0.8
306.08597	0.6
307.09653	0.6
309.04044	0.7
309.07477	6.3
310.04657	1.8
310.08124	0.9
311.09055	0.4
313.07007	23.4
314.07266	1.6
317.08075	0.9
319.05969	0.6
321.07727	0.4
322.04721	0.6
323.05490	1.6
323.08951	0.7
324.06238	1.1
324.09714	0.4
325.07010	4.2
325.10684	1.6
326.07349	0.5
333.07654	0.9
334.08344	3.0
335.09033	1.0
337.07004	10.8
338.07617	2.5
339.08521	1.6
339.12292	0.9
349.10709	3.7
351.08493	1.8
352.09348	15.3
353.09830	0.9
367.11703	100.0
368.12057	6.4
385.12799	2.6
385.23685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1277
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
53.03936	1.1
53.53439	0.8
55.01855	3.8
55.05493	1.8
57.03397	1.0
62.75268	0.9
67.05501	4.8
68.99755	2.2
69.07054	8.4
70.53108	0.8
70.69109	2.9
79.01846	1.8
79.05482	9.7
81.03402	1.0
81.07049	4.8
83.04932	2.0
85.06520	2.3
91.05464	3.4
93.07024	2.6
95.04943	3.2
95.08582	3.0
97.02952	0.9
97.06516	50.7
98.06858	1.0
103.05418	1.4
105.03401	1.5
105.07020	2.8
107.04932	1.6
109.06498	3.2
109.10109	2.0
115.05418	2.0
117.06991	1.2
119.04922	1.1
119.08588	1.7
121.06497	1.0
121.10094	1.4
123.04365	1.2
123.08012	1.2
125.09607	1.1
128.06232	1.4
129.06969	2.8
131.04889	1.2
131.08548	1.3
133.02814	1.9
133.06464	1.9
133.10117	1.2
137.02356	0.9
137.05977	10.3
139.03917	1.1
144.05705	1.1
145.06425	3.0
147.04356	2.6
147.08052	0.9
149.05928	1.7
150.03136	1.1
151.07506	1.6
153.01804	9.1
153.05443	9.6
153.06779	1.7
154.07719	1.3
155.08519	3.6
157.06436	0.9
157.10129	1.0
159.04405	1.4
159.11679	1.2
161.05959	2.4
163.07555	1.6
165.05464	4.7
165.06822	1.2
166.07750	1.3
167.07005	2.8
167.08383	1.0
169.06477	1.5
169.10097	1.4
171.02866	2.0
171.08003	1.5
173.05962	2.8
174.06779	1.1
175.03876	2.4
175.07509	2.1
176.04561	1.1
177.05441	1.9
178.07722	1.1
179.03403	1.8
179.07025	1.3
179.08514	2.4
181.06474	2.1
183.07988	3.1
185.03113	0.8
185.05927	1.9
186.06766	1.1
187.07506	2.9
189.05528	1.6
189.09055	2.8
193.05026	1.2
195.08032	2.0
197.05957	2.4
197.09615	2.2
199.07513	2.7
199.11154	1.7
200.04683	3.9
201.05447	4.0
201.09090	7.2
203.03395	13.3
207.08078	1.1
209.09630	4.3
211.07497	5.5
213.05453	1.3
213.09103	1.3
215.10606	1.6
218.05594	1.4
219.06467	1.9
221.04427	2.9
223.07596	1.3
225.09062	6.6
227.07014	1.4
227.10738	2.0
228.04201	1.0
228.07602	1.2
229.08571	5.1
232.08795	1.0
233.09673	1.5
235.07513	1.4
235.09657	3.8
237.12663	1.0
239.06900	1.6
241.08511	1.3
241.12213	2.3
242.05623	1.4
242.09344	0.9
243.10098	2.6
244.16170	1.1
245.08011	1.7
251.14282	1.7
253.04807	1.2
253.08665	4.8
253.12241	1.3
263.07126	1.8
265.08517	1.6
265.12064	1.5
267.06406	1.1
267.10208	1.3
270.05304	1.2
270.08481	1.1
271.06882	1.3
271.09540	6.9
275.14331	1.8
277.08377	0.9
279.13876	2.0
281.07990	8.0
283.06070	1.7
291.06458	1.2
292.07272	2.7
293.15298	1.3
295.06131	1.9
295.09586	2.1
297.07455	2.0
297.14716	6.7
298.04785	2.3
299.05426	2.0
299.12366	1.0
305.15314	1.3
307.09616	2.5
307.13199	2.5
309.07532	24.3
310.07745	1.3
313.07043	22.9
314.07684	1.4
319.06006	1.8
320.06693	2.6
321.07419	2.1
321.14938	5.2
323.12778	3.1
325.14291	10.9
331.12872	1.0
334.04279	1.1
334.08289	3.6
335.08997	4.9
337.07019	27.0
339.12170	1.1
339.15765	5.3
341.13770	1.7
341.17465	3.0
349.10580	6.1
349.14343	2.9
351.08597	3.6
352.09406	10.5
367.11664	100.0
367.15359	8.5
368.12183	4.8
383.07266	1.1
385.12708	70.4
386.13062	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	385.1278
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
53.03925	1.0
55.01857	1.7
55.05510	1.1
57.03416	0.5
59.04998	0.8
65.03954	0.4
66.97340	0.4
67.05495	2.6
68.99762	0.4
69.03400	0.9
69.07057	3.1
71.04977	0.7
75.72320	0.4
78.58653	0.4
79.05488	5.6
81.03397	1.1
81.07049	2.6
83.04954	1.0
85.06510	0.5
91.05463	1.7
92.99734	0.4
93.03399	1.2
93.07023	1.7
95.04949	2.2
95.08585	1.3
97.02879	0.7
97.06519	11.3
97.10159	0.5
105.07014	2.0
107.04951	1.0
107.08549	1.5
109.06504	3.4
109.10125	0.9
111.04470	0.6
111.08035	0.5
115.05412	0.6
117.06992	0.6
119.08548	1.1
121.06472	1.0
121.10136	1.3
123.04456	0.8
123.08032	1.0
123.11665	0.7
125.09590	0.4
129.06995	0.8
131.04854	0.8
131.08554	0.8
133.06435	0.7
133.10081	0.8
134.03632	2.1
135.08014	0.8
137.05960	37.6
137.09572	0.6
138.06319	0.6
139.03874	6.0
141.01717	0.5
141.06964	0.8
143.08536	1.1
145.10080	1.1
147.04385	1.2
147.11713	0.7
149.02217	0.8
149.05920	0.7
149.09578	0.5
151.03862	0.6
151.07457	0.6
153.01814	3.3
153.05423	0.5
153.06949	0.6
155.08588	0.8
157.06499	0.7
157.10100	0.6
159.04361	0.5
159.08131	0.8
159.60179	0.4
161.05968	3.5
163.03882	2.1
163.07526	1.5
165.01804	1.3
165.05444	1.2
165.06866	0.6
165.09003	0.9
167.07019	1.1
169.06480	0.8
169.10152	0.5
171.02841	1.1
171.08028	1.2
173.06017	1.1
175.03880	1.2
175.07494	0.7
177.05534	0.5
179.03410	0.8
179.08607	0.8
181.06509	0.7
181.10103	0.8
183.02901	1.1
183.08018	1.0
183.11691	0.6
185.05977	1.0
185.09650	1.2
186.06752	0.5
187.07521	0.6
189.05414	0.7
189.09056	1.1
191.03439	0.5
193.04977	1.1
193.10291	0.4
193.12221	1.1
195.08075	1.2
197.05971	1.4
197.09586	1.0
199.07455	1.2
200.08234	0.6
201.05405	0.9
201.09041	2.4
203.03328	1.0
205.04823	0.5
207.07997	0.7
209.09583	0.5
210.06781	0.6
211.07469	2.0
213.05461	1.1
213.09071	0.8
214.06245	0.8
215.10652	0.5
217.04936	0.7
217.08598	1.2
222.10301	0.5
223.15067	0.5
225.05453	0.8
225.09116	1.6
227.07027	0.9
227.10713	0.5
228.07748	0.7
229.04935	1.0
229.08626	2.2
235.09628	17.9
236.06706	0.6
241.04951	2.6
241.08626	0.6
242.05743	0.7
243.06474	0.7
243.10023	0.6
253.04895	1.1
254.05743	0.5
255.06442	0.8
257.07727	0.6
259.09558	0.7
261.11310	1.0
265.12323	0.6
267.06628	0.8
269.04520	0.6
269.08023	0.5
270.05258	3.6
270.08536	0.8
271.09653	1.3
279.13760	1.4
281.04565	0.9
281.07916	0.9
281.15305	0.4
285.07559	1.2
293.15393	0.8
295.06186	0.8
297.07513	1.1
297.14835	1.1
298.04678	32.2
299.05093	1.7
299.12732	1.3
301.07050	1.2
303.13800	0.5
307.09924	0.5
307.13391	0.9
309.07501	2.1
310.04608	1.1
310.08096	0.6
311.05408	1.2
312.06195	0.9
313.07025	53.2
314.07428	2.6
321.14841	1.3
323.05658	0.6
323.12579	0.9
323.16229	0.9
325.07086	5.3
325.10699	0.9
325.14185	2.4
327.08609	1.7
329.06494	1.9
334.08307	1.1
337.06921	3.0
338.07742	1.5
339.08530	0.6
339.12201	0.8
339.15894	1.3
341.13663	1.7
341.17529	2.9
349.10614	1.2
349.14603	1.0
351.08813	0.6
352.09329	5.1
357.09641	0.6
367.11673	11.7
367.15512	2.8
367.22617	1.0
370.10571	1.4
385.12756	100.0
385.23090	4.7
386.13068	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	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03939	2.7
55.01865	2.4
55.05468	1.4
57.03409	0.7
57.30249	0.4
65.03896	0.6
65.39936	0.4
67.05501	2.2
67.06371	0.4
68.99759	0.8
69.03393	1.9
69.07040	1.2
69.92123	2.7
71.04968	0.6
77.03895	0.7
77.89585	0.4
79.05037	0.6
79.05479	11.6
81.03387	2.4
81.07022	2.0
83.08591	0.5
85.02893	2.3
87.00805	1.0
91.05466	10.7
93.07035	4.7
95.04949	5.4
95.08570	1.6
97.06523	4.2
97.10139	0.5
99.04389	0.6
103.03897	0.5
103.05428	1.7
105.03383	1.1
105.04475	0.9
105.07024	3.5
106.04165	0.6
107.04939	20.5
107.08607	0.7
109.06488	2.0
109.10112	0.7
111.04368	0.4
111.08099	0.5
115.05433	1.5
117.07007	1.8
119.04924	2.8
119.08560	0.9
121.06493	5.6
121.10112	0.9
122.03603	0.8
123.04412	2.0
123.08066	3.3
125.05972	5.3
128.06187	1.6
129.06998	1.8
131.04907	2.1
131.08542	1.7
133.02806	0.6
133.06467	1.0
133.10098	0.9
135.04376	1.8
135.05511	1.4
135.08002	0.9
137.05956	100.0
138.06274	2.5
139.03880	1.6
141.06949	1.0
143.08580	0.9
144.05667	1.3
145.06461	3.4
145.10085	0.6
147.04390	1.9
147.08023	0.7
148.33467	0.4
149.02405	0.4
149.05954	6.4
151.07520	6.2
153.01791	1.8
155.08444	0.5
157.06506	1.2
157.10155	0.9
159.04373	0.5
159.08081	1.8
159.11690	0.5
161.05966	2.8
161.09625	1.0
163.03860	0.4
163.07520	3.6
165.05458	8.2
165.06822	0.8
167.07053	1.3
167.08528	0.4
169.06480	1.1
171.02843	1.0
173.05855	0.8
174.06766	2.1
175.07556	1.2
177.05449	9.7
179.07002	21.3
180.07391	0.6
181.04956	1.0
185.05911	0.9
186.06827	0.8
187.07579	1.5
188.08440	0.5
189.05464	0.7
189.09065	1.9
191.03447	0.5
191.07045	1.4
193.12260	0.7
195.06544	1.6
197.05927	0.8
199.07617	0.8
199.11153	0.4
201.05481	1.1
201.09088	0.8
202.06334	1.0
203.03448	0.6
203.06989	4.0
205.08557	0.7
215.07108	1.9
217.05057	0.5
217.08569	5.0
221.08141	0.6
227.06999	0.5
229.08505	0.6
233.08090	0.9
235.09563	0.8
243.06511	0.7
245.08052	10.6
263.09229	1.9
271.09741	0.5
281.10358	2.0
283.06039	1.2
297.07687	0.6
297.14801	0.5
298.04620	0.7
299.05957	0.9
299.11191	17.9
309.07687	1.1
313.07056	5.4
314.07654	0.9
325.14255	0.5
327.05118	0.6
331.08234	0.4
332.22980	0.5
332.27393	0.4
337.07272	0.8
341.17526	0.6
349.09366	1.2
357.09891	0.5
367.11090	7.2
367.15732	1.0
367.22736	1.1
368.10922	0.8
385.06534	0.8
385.12616	17.5
385.23441	4.0
386.12952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01857	3.5
56.96553	1.8
57.03408	1.2
57.70203	1.2
58.41961	1.1
60.35273	1.0
61.02921	2.0
67.05489	1.9
69.03407	3.2
69.45753	10.8
70.06588	1.9
78.04692	1.2
78.10115	1.2
79.05475	4.1
81.03408	1.3
84.08170	1.5
85.02895	5.9
85.06555	1.2
91.05460	4.1
95.01310	1.2
95.04936	3.7
97.02855	3.6
98.97523	1.4
103.05439	5.2
105.07018	51.6
105.98293	1.4
106.07381	1.4
107.04944	2.7
109.02810	1.9
109.74105	1.1
113.02331	1.2
115.03900	1.9
115.05435	13.2
117.06979	4.0
118.04142	3.9
119.08572	1.8
121.02867	1.5
123.04362	5.7
127.03881	2.5
131.04909	4.7
133.06473	51.5
134.02725	2.1
134.06815	2.0
136.06178	4.2
137.05942	3.9
139.03957	1.3
140.04697	2.7
143.04944	1.6
143.05969	2.8
145.06433	6.3
147.04430	1.7
149.06001	2.0
151.03854	2.8
155.07010	3.6
157.06458	2.9
158.88852	1.1
159.04236	1.3
160.05139	2.5
161.05959	100.0
162.06305	3.2
167.07004	23.5
167.08365	1.8
173.05948	3.5
175.03860	2.2
175.06078	1.9
175.07555	3.2
177.05441	1.5
179.07024	2.0
181.04968	2.4
183.06467	3.6
185.06044	1.3
187.07552	1.4
189.05507	1.2
190.06178	3.6
191.06995	3.9
192.07796	1.7
193.08578	58.9
194.08961	3.1
201.05478	3.8
203.06999	2.5
205.08528	5.9
207.06488	8.1
207.09976	1.4
215.07007	1.4
219.06403	3.2
221.08067	2.5
229.04913	2.1
231.06500	5.6
233.04433	5.4
233.08014	4.0
234.08842	1.9
235.06000	1.6
235.09569	1.5
245.08214	1.7
247.05974	1.7
249.07649	2.0
251.09103	23.8
253.07423	2.9
257.04367	1.7
257.08234	1.2
259.06226	1.4
261.07535	10.4
263.09100	3.2
273.07568	1.9
275.09009	2.3
279.08936	1.4
289.07104	2.2
291.08649	1.5
293.10159	2.7
305.10184	1.7
307.08194	4.4
319.08133	1.4
385.11404	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	385.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36593	0.8
56.96560	8.3
61.96111	0.8
63.98579	0.9
69.82170	6.2
71.95251	1.4
72.65772	0.9
98.97565	56.1
99.97904	1.8
100.97212	1.0
100.98041	1.0
116.98604	60.4
117.98952	1.1
118.99060	1.0
119.01910	7.1
134.99638	49.4
136.00015	2.1
137.02969	2.0
140.00150	2.2
153.00703	8.5
158.01297	2.0
177.00935	14.7
178.01035	2.8
179.00697	1.0
186.23523	0.8
192.98849	1.0
198.02045	1.2
198.97960	0.9
200.02341	0.9
201.00836	1.3
217.04059	2.4
218.98767	1.5
219.01959	25.7
220.01939	5.3
221.01831	3.4
225.01083	2.7
234.99849	4.5
235.99947	1.0
236.99811	5.0
237.99821	1.2
240.98820	3.4
241.98869	1.5
242.03645	1.0
242.98894	1.8
243.02036	6.2
255.00728	0.9
258.02997	1.0
258.99762	26.2
259.99942	7.9
260.99719	29.1
261.03073	100.0
262.00006	3.1
262.03195	13.6
263.02988	1.7
266.98770	1.1
276.97748	1.9
277.00809	44.2
278.00995	15.0
279.00610	50.5
280.01035	4.4
281.00681	1.1
282.01297	2.5
282.99835	5.0
284.00119	5.1
284.04446	5.2
284.99814	17.6
285.04611	1.4
285.99808	5.2
286.99854	1.2
292.98853	1.0
297.01712	1.1
300.02390	2.5
301.00964	13.3
302.01190	8.8
303.00836	35.1
304.00909	10.2
305.00854	1.7
317.99991	1.1
320.02069	1.1
321.02011	2.5
325.01114	1.2
326.02368	1.6
343.02298	4.2
344.01907	2.1
345.02094	1.1
361.01221	8.0
362.01184	0.9
367.02353	2.4
379.02478	3.4
385.03378	11.7
386.03247	3.2
403.00439	8.0
403.04282	12.7
404.04352	3.8
408.04614	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01856	4.9
55.05498	18.4
57.07060	13.1
58.71486	3.3
59.04982	8.3
64.37757	3.0
65.03937	3.9
67.05502	34.4
69.03415	13.5
69.07056	9.6
69.50887	24.9
71.04984	4.8
72.83688	2.6
79.05479	31.5
81.07050	37.3
83.04963	6.5
83.08614	6.1
85.06525	7.9
85.76707	2.9
91.05463	41.9
93.07030	89.6
94.07375	3.6
95.04951	29.4
95.08590	43.1
97.06544	16.9
99.04502	3.2
103.05476	4.1
105.07014	77.5
107.08578	42.2
109.06513	25.6
109.10143	28.5
110.61827	2.8
111.08060	8.9
117.06997	9.2
119.08567	55.4
119.65047	3.1
120.09382	4.3
121.06484	15.1
121.10117	46.1
122.07220	4.0
123.08030	30.4
128.06190	10.5
129.07036	7.2
130.07813	5.5
131.08569	26.2
133.06482	9.7
133.10095	36.4
135.08037	27.6
135.11668	6.9
137.09586	15.6
139.07515	2.9
141.07037	4.0
142.07756	21.5
143.08533	25.9
144.09320	3.6
145.06444	3.2
145.10112	36.0
147.08037	29.6
147.11734	15.7
148.08820	3.4
149.09579	20.9
150.62442	2.8
151.07518	38.9
153.09111	3.9
155.08537	8.5
156.09286	7.1
157.10106	39.5
157.11307	5.6
159.08061	8.0
159.11684	15.8
161.09619	21.6
161.13254	8.2
163.11299	6.7
165.09102	59.6
169.10043	6.2
170.10849	7.4
171.11609	4.1
173.09584	7.2
173.13225	8.5
175.11147	20.3
175.14821	7.5
177.09143	7.3
181.12233	3.1
183.11679	5.5
185.09659	3.6
185.13231	19.5
187.11166	3.6
189.12747	9.2
191.14352	4.0
195.11748	4.0
197.13159	4.9
199.11179	4.1
201.12703	8.2
203.14273	36.6
207.13776	12.7
209.13232	5.7
209.15474	3.7
213.12799	4.1
215.14282	8.2
219.13815	3.0
219.83777	2.8
221.13330	3.3
221.15321	100.0
222.15721	5.0
225.12849	4.8
233.15346	6.3
234.16194	11.8
237.14703	4.0
240.33508	3.0
243.13916	3.0
274.19437	3.4
281.19025	4.1
286.19244	5.2
287.20065	11.7
297.18246	3.2
299.20041	6.6
303.19589	10.3
309.18161	4.8
365.24823	13.9
383.20743	6.1
383.25696	69.2
384.25778	5.1
409.81784	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01842	2.9
55.05506	19.4
57.07057	10.7
59.04993	5.6
63.13760	2.0
65.03931	4.1
67.05498	34.6
69.03418	13.2
69.07047	10.5
69.41763	2.5
69.42078	24.5
71.04978	7.8
74.09241	2.3
79.05482	29.9
81.07045	33.9
83.04975	6.8
83.08605	7.2
85.06548	5.9
91.05464	51.4
93.06437	4.8
93.07030	100.0
95.04953	27.8
95.08589	36.2
97.06498	14.4
98.21426	3.5
102.44942	2.3
103.05456	3.5
105.07012	74.1
107.04927	5.0
107.08575	47.8
109.06504	26.9
109.10148	24.5
111.08080	12.4
115.05405	3.2
117.06973	13.2
119.08569	52.9
120.09421	2.4
121.06512	15.4
121.10125	42.7
121.71966	2.9
123.07232	4.7
123.08055	34.9
124.08481	2.2
128.06241	9.2
129.07010	13.0
130.07780	5.6
131.08554	27.9
133.06474	10.4
133.10104	30.5
135.08031	27.0
135.11635	6.8
137.05934	4.3
137.09566	11.1
141.07004	5.4
142.07736	21.3
143.08571	28.4
144.09302	3.6
145.06425	3.9
145.10100	39.6
146.07278	5.2
147.08002	22.6
147.11674	19.0
148.08789	4.1
149.09566	23.7
151.07506	43.3
154.79686	2.4
155.08549	7.7
156.09352	8.7
157.10123	44.7
158.10849	2.7
159.08018	7.0
159.11632	14.2
161.09610	19.3
161.13246	10.3
163.11133	6.5
165.09108	34.0
169.10089	7.8
170.10872	7.2
171.08011	3.2
171.11676	10.5
173.09625	12.9
173.11763	4.0
173.13211	11.4
174.10350	2.8
175.11168	20.7
175.14767	9.2
177.09071	11.1
181.10167	5.7
181.12254	4.6
182.10846	4.3
183.07977	2.5
183.11653	9.0
185.09583	4.4
185.13217	21.2
187.11180	4.2
189.12767	10.4
191.14233	5.2
195.11623	3.8
197.13287	6.2
199.11200	3.7
201.12743	5.7
203.14294	30.0
207.13707	14.0
209.13249	4.3
209.15385	4.3
211.14958	3.5
213.12779	4.4
215.10678	4.0
215.14304	7.5
221.13342	2.5
221.15335	67.5
222.15660	3.5
225.16351	4.3
227.14265	4.7
229.12321	3.2
231.13792	5.9
233.15366	6.8
234.16118	9.7
237.14790	2.8
249.16440	2.6
271.16721	3.4
281.18793	3.2
286.19180	6.6
287.20050	9.8
299.20132	4.1
303.19580	7.1
309.18323	3.7
347.23505	2.5
365.24557	12.0
383.25720	70.1
384.26047	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	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03923	6.1
55.01871	4.0
55.05494	14.4
57.07062	10.5
59.04987	5.6
65.03907	4.0
67.05490	32.2
69.03406	16.3
69.07062	7.8
69.38539	27.6
71.04977	7.4
79.05481	35.7
81.07035	38.0
83.04945	7.2
83.08581	3.2
85.06528	7.0
91.05460	46.4
93.07028	100.0
95.04961	29.4
95.08592	33.4
97.06521	17.3
102.48567	2.6
103.05467	4.1
105.07013	90.1
107.04948	5.3
107.08581	49.9
109.06496	27.3
109.10133	25.9
111.08076	11.2
111.31673	3.3
111.98757	3.0
115.05470	3.4
116.06181	4.8
117.06998	14.2
119.08562	55.6
121.06474	16.6
121.10126	49.9
123.08064	39.5
123.08920	4.7
123.11702	3.5
124.72134	2.8
128.06256	7.0
129.07001	14.3
130.07722	4.6
131.08543	29.3
133.06477	10.8
133.10100	36.4
135.08023	29.6
135.11653	7.7
137.09573	15.0
141.07011	5.9
142.07753	23.0
143.08543	29.2
144.09286	3.9
145.10098	45.1
147.08034	29.3
147.11609	20.7
148.08876	4.7
149.09596	28.8
151.07498	39.4
153.09102	4.7
155.08521	7.1
156.09290	8.2
157.10094	47.4
159.08031	12.7
159.11674	17.5
161.09602	21.5
161.13266	5.7
163.11142	4.1
165.09064	43.3
169.10085	8.2
170.10896	8.3
171.11644	10.6
173.09584	12.3
173.13219	7.7
175.11168	27.7
175.14819	10.3
177.09042	16.2
179.08537	3.9
179.10704	3.6
181.10101	5.5
181.12253	4.8
183.11658	6.6
185.09608	3.3
185.13232	21.1
187.11176	5.4
187.14740	6.5
189.12732	10.6
191.14453	3.8
193.10277	3.2
195.11708	4.6
197.13263	8.6
199.11252	4.3
199.14763	4.4
201.12761	11.3
203.14296	28.2
207.11899	5.5
207.13828	15.5
209.13359	6.5
209.15344	6.4
213.12805	5.1
215.14285	11.3
215.49265	2.9
219.13748	7.5
221.13318	2.9
221.15311	67.7
222.15666	4.3
225.12769	4.7
227.14288	5.2
231.13708	5.0
233.15399	5.6
234.16061	18.2
269.72595	2.8
274.19162	3.3
286.19168	3.3
287.19952	8.6
299.20142	7.1
301.01813	3.1
303.19467	7.9
309.18439	4.8
335.77631	3.1
365.24789	8.8
383.25775	75.6
384.26019	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01847	3.3
55.05503	12.2
57.03420	3.5
57.07053	11.1
58.92222	2.3
59.04989	6.6
67.05208	2.8
67.05497	32.8
69.03412	15.7
69.07043	9.9
69.43321	2.6
69.43652	22.8
71.04976	9.8
72.42551	2.3
74.76459	2.9
79.05479	32.1
81.07046	35.5
83.04961	8.9
83.84472	2.6
85.06521	8.8
91.05474	46.1
93.07036	100.0
94.73463	2.4
95.04968	28.8
95.08599	40.8
97.06527	11.9
103.05407	4.6
105.04384	2.4
105.07017	83.1
107.04948	4.0
107.08578	39.9
109.06491	22.2
109.10132	23.3
111.08056	10.5
115.05417	3.8
117.07010	10.3
119.08566	59.7
121.06482	17.7
121.10141	47.3
122.07290	2.9
123.08066	34.8
128.06184	6.2
129.07007	12.7
131.08566	27.1
133.06477	9.4
133.10118	28.0
135.08031	26.0
135.11615	5.7
137.09570	13.9
141.06976	5.7
142.07750	25.8
143.08539	22.3
144.09215	2.6
145.10083	34.7
147.08029	27.9
147.11671	14.0
148.08755	2.9
149.09589	22.0
149.97939	2.5
151.07532	44.8
153.09056	3.8
155.08517	6.8
156.09326	6.6
157.10103	38.2
159.08095	5.8
159.11710	14.2
160.08775	5.0
161.09602	20.9
161.13252	5.2
163.11174	6.2
165.09114	48.4
168.09286	2.6
169.10114	5.7
170.10843	6.1
171.11639	8.4
173.09555	9.2
173.13229	7.2
175.11168	16.3
175.14792	6.7
177.09065	13.3
178.09846	5.4
181.10110	3.8
183.11601	3.4
185.13245	15.3
187.11159	9.9
187.14815	4.8
189.12740	10.5
191.10551	2.7
191.14406	3.2
195.11668	4.7
197.13370	3.2
199.11020	5.2
201.12741	10.7
203.14313	32.5
207.11949	4.1
207.13710	14.1
209.13310	5.1
209.15305	7.0
211.14880	3.7
213.12700	5.9
215.14201	8.2
216.15233	4.6
217.67540	2.4
219.13753	6.1
220.75841	2.2
221.15343	88.1
222.15611	3.3
225.12651	4.3
227.14256	4.5
231.13731	5.2
233.15361	8.3
234.16115	13.7
243.13799	4.4
280.59717	2.4
281.18985	3.0
285.18369	3.1
286.19330	7.0
287.20007	5.7
288.81290	2.4
299.20020	6.9
303.19504	10.5
319.47580	2.6
365.24680	12.8
383.25797	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03931	5.9
54.13016	2.2
55.05501	14.2
56.75194	2.0
57.07053	8.7
59.04989	4.4
61.63118	2.7
65.03919	3.3
66.05047	2.4
67.05496	31.9
69.03412	16.4
69.07054	7.6
70.05243	7.7
70.05648	4.5
71.04978	7.9
73.22781	2.8
79.05480	31.9
81.07045	36.5
83.04974	6.9
83.08607	5.5
85.02866	3.0
85.06546	4.8
91.05469	50.2
93.07028	100.0
95.04962	29.0
95.08598	45.7
97.06507	16.3
103.05431	7.5
105.07018	82.0
107.04934	3.9
107.08576	47.5
109.06510	32.0
109.10144	17.0
111.08053	11.3
115.05445	4.0
117.07001	16.9
119.04922	3.1
119.08559	59.5
120.09355	4.8
121.06450	17.3
121.10130	47.9
123.08052	37.2
125.09618	2.9
128.06218	9.8
129.07007	14.3
130.07787	5.1
131.08560	35.3
133.06494	8.7
133.10114	34.2
135.08047	29.1
135.11685	6.9
137.05951	3.7
137.09554	12.9
140.91609	2.3
141.06999	4.7
142.07750	24.9
143.08549	27.9
144.09268	3.2
145.06439	3.6
145.10094	41.8
147.08034	34.0
147.11679	17.3
149.09612	24.3
151.07529	52.8
151.97372	2.5
153.09114	3.2
155.08549	5.1
156.09329	9.3
157.10112	50.4
159.08043	8.8
159.11638	17.7
161.09573	24.1
161.13258	6.6
163.11185	8.5
165.09087	37.5
169.10155	8.4
170.10893	4.6
171.11661	11.3
173.09615	13.1
173.13260	10.2
175.11177	27.8
175.14804	10.5
177.09050	11.7
178.09793	5.2
179.08539	2.9
181.10036	3.5
183.11671	3.7
185.09596	3.9
185.13255	24.2
187.11211	6.0
187.14822	6.9
189.12691	16.1
191.14264	3.5
193.10178	2.7
195.11667	4.5
197.13277	5.0
199.11150	2.7
201.12717	9.2
203.14305	39.9
207.11913	4.1
207.13722	15.6
209.13383	3.5
209.15384	7.3
211.14772	3.7
215.14346	11.1
216.15015	3.2
219.13875	6.9
221.15341	94.0
222.15674	5.2
225.16162	2.6
227.14262	4.7
231.13884	4.2
233.15323	6.3
234.13989	3.3
234.15997	12.3
237.14748	6.3
242.38237	2.5
243.13922	6.2
249.70602	2.8
267.17227	2.6
269.19022	3.1
274.19199	3.2
286.19205	4.6
287.20065	11.5
299.20105	4.5
303.19559	8.3
309.18500	3.1
327.19717	4.3
365.24780	14.7
383.08691	5.2
383.25769	86.5
384.26181	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	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66847	1.4
53.03931	3.0
55.01857	5.5
55.05502	10.7
57.03434	15.8
57.07035	2.4
59.04980	4.6
63.99532	1.3
65.03916	4.2
67.05500	100.0
68.05831	1.6
69.03423	9.4
69.07054	13.2
69.07832	1.8
71.04974	4.4
71.66287	2.5
77.19659	1.3
79.05486	21.9
81.03405	1.9
81.06606	2.3
81.07050	30.3
81.47241	1.6
83.04952	4.6
83.08617	7.7
84.08091	1.5
85.06541	12.4
91.05465	20.4
93.07037	16.4
95.04958	25.2
95.08600	16.1
97.02872	5.9
97.06519	23.1
97.13750	1.3
105.07028	16.5
107.04926	4.9
107.08596	14.9
109.06518	21.4
109.10143	63.5
111.08056	3.6
113.05993	29.5
115.05439	2.4
117.07006	6.5
119.08573	11.6
121.06480	6.4
121.10109	7.8
123.04408	6.8
123.08035	3.6
123.11686	2.6
125.09585	1.8
128.10654	1.9
129.06952	4.4
131.08557	9.9
133.06427	2.1
133.10109	10.6
135.08051	19.0
135.11685	3.4
137.02295	3.9
137.05928	4.7
137.09621	4.6
141.06946	2.0
143.08554	3.9
145.06425	2.3
145.10112	9.3
147.08000	4.1
147.11652	2.3
149.05948	4.4
149.09608	4.9
149.13194	2.4
151.11143	2.9
153.01785	3.3
153.05443	6.5
155.08522	3.6
155.10588	3.5
157.10094	5.5
159.11656	5.2
161.09583	3.9
161.13179	2.9
163.11186	3.6
165.09079	3.1
171.11655	2.9
173.09549	2.5
173.10237	1.7
173.11726	18.9
173.13168	2.3
174.15625	1.5
175.11089	2.3
177.12714	2.3
183.11821	1.4
185.05931	1.7
185.09613	1.7
187.03963	1.8
187.11165	2.3
195.08090	2.4
195.11577	1.7
197.09642	1.8
199.07442	1.7
199.11206	2.8
199.14824	1.8
201.09056	2.1
213.05510	2.1
213.09050	1.8
215.10616	2.1
217.15837	5.4
219.13670	2.1
223.07506	1.6
224.12698	2.0
229.04958	5.2
231.06499	6.1
239.52057	1.5
241.04984	1.6
241.08586	2.6
243.06427	2.6
247.09633	2.4
255.06491	3.6
255.17529	2.4
257.04523	5.0
273.18466	14.3
274.18619	1.4
283.05920	6.0
285.03839	4.6
285.07147	2.1
287.05389	4.0
291.19559	25.2
297.03928	17.0
311.05551	2.1
311.09113	1.9
315.04916	2.9
327.08560	6.9
337.14197	2.7
339.08554	18.5
339.12097	2.4
340.08862	2.1
347.22189	2.4
352.57346	1.8
355.15213	1.8
365.10022	4.7
365.13947	3.3
365.23138	6.9
376.05835	1.7
383.10971	41.5
383.14719	5.9
383.24283	24.2
384.11197	7.1
384.24228	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
55.01862	2.8
55.05495	18.8
57.03405	2.3
57.07073	9.9
59.04981	5.1
63.07096	2.0
67.05148	2.8
67.05492	44.0
69.03416	18.2
69.07047	9.2
69.82806	12.0
71.04969	8.7
77.03927	1.9
79.05478	34.2
81.03392	5.0
81.07045	36.8
83.04953	7.4
83.08602	4.1
85.06510	5.8
90.32816	2.2
91.04923	3.6
91.05468	46.0
93.07027	100.0
95.04953	27.0
95.08591	38.5
97.02879	2.3
97.06507	11.8
98.21375	3.3
99.04434	3.8
103.05448	6.1
105.07014	88.8
107.04954	5.1
107.08572	38.7
108.18336	1.9
108.62566	2.3
109.06494	29.2
109.10134	34.4
111.08046	9.2
115.05465	2.4
117.06977	12.3
119.04952	2.6
119.07749	3.5
119.08567	54.3
120.09370	3.7
121.06483	17.0
121.10114	43.8
123.08049	32.8
125.29255	2.4
127.03898	3.2
128.06194	7.7
129.06970	9.1
130.07724	4.1
131.08548	36.5
133.06496	10.1
133.07703	1.8
133.09154	4.0
133.10104	34.4
135.08023	24.7
135.11671	9.3
137.09598	15.9
141.06920	6.0
142.07764	20.3
143.08522	25.0
144.09338	3.2
145.06551	3.2
145.10097	38.2
147.08002	25.8
147.11676	16.9
148.08771	3.2
149.09595	19.2
150.10161	2.3
151.07520	44.7
151.08731	2.6
153.09077	3.3
155.08499	8.4
156.09314	9.9
157.10101	40.4
158.10756	3.7
159.08035	10.4
159.11656	18.3
160.08809	5.0
161.09587	19.9
161.13210	9.3
163.11157	7.3
165.09096	49.6
166.09433	2.7
168.09244	2.6
169.10107	4.1
170.10924	4.1
171.11618	9.3
173.09618	9.1
173.11758	3.1
173.13231	7.7
175.11145	20.8
175.14828	12.4
177.09102	11.0
179.08524	3.0
180.09319	3.0
181.10052	3.1
183.11707	6.8
185.09625	3.1
185.13240	18.5
187.11128	4.5
188.11926	2.7
189.12697	14.3
191.14221	4.2
193.10184	2.9
195.11707	3.6
197.13362	4.3
199.10956	2.1
199.14940	2.4
201.12755	7.0
203.14281	31.5
204.14517	2.5
207.11768	4.7
207.13788	14.7
209.13336	4.7
209.15356	5.7
211.14839	4.0
215.14291	6.4
217.12216	2.4
219.13811	4.6
221.15324	94.3
222.15689	4.8
225.12679	2.7
225.16370	3.3
227.14273	5.9
229.12337	3.2
233.15332	5.6
234.16121	8.5
237.14713	2.9
241.15657	2.4
243.13667	3.6
269.19101	4.6
271.16870	2.7
281.18948	4.0
285.18265	3.8
286.19220	6.3
287.20038	11.2
299.20078	5.8
303.19510	8.9
347.23792	3.2
365.24661	13.0
383.25717	61.2
384.26221	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	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
56.35682	1.5
56.96547	4.0
57.01850	1.6
57.03422	3.0
58.48441	1.8
61.02909	3.0
67.05489	1.8
68.95041	1.6
69.03429	12.5
70.06566	3.3
71.21486	2.7
71.21811	2.0
73.02883	2.0
81.03392	6.4
83.04960	2.8
84.04501	1.7
85.02895	22.4
87.04453	2.7
87.75460	1.5
91.05447	2.2
95.04950	1.8
97.02894	11.5
97.06596	1.6
98.97569	5.1
99.04443	2.0
105.06968	2.1
107.04921	3.1
109.02876	3.0
110.07121	2.3
115.05437	5.1
116.98579	4.3
119.04945	2.4
121.06504	2.0
127.03899	6.3
128.41972	1.7
130.06477	10.0
132.08086	2.7
134.06020	4.9
145.04947	2.6
146.05980	5.2
146.99629	1.7
147.04391	3.2
148.07542	13.8
153.55919	1.6
157.19530	1.5
158.05972	25.3
160.07565	29.9
162.05484	57.7
163.05879	1.8
163.08606	1.8
164.04764	2.1
168.13901	2.0
172.07634	3.1
175.08635	27.5
175.83731	1.9
177.00671	3.3
181.04865	2.6
186.05479	44.9
191.03456	2.3
199.08817	1.9
200.06996	2.2
204.06535	92.7
205.06804	3.2
212.06264	2.6
221.09184	100.0
222.09525	4.6
228.06435	3.5
245.09323	4.0
252.07213	4.7
270.07590	2.3
287.10260	2.0
297.14468	3.4
299.10141	2.0
302.09549	1.9
365.13467	1.7
383.09174	2.4
383.13757	16.0
386.56259	1.8
394.87775	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	383.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.79148	1.0
55.01866	2.2
57.03428	4.1
61.02907	1.8
66.91729	1.0
67.05489	3.4
69.03423	10.9
69.58374	8.8
70.06575	2.4
71.01337	1.5
71.04991	2.8
71.67021	1.1
75.04453	1.1
79.05467	1.8
81.03413	4.2
81.07047	1.5
82.06559	1.1
84.08126	1.8
85.02891	2.4
91.05473	2.3
95.01353	1.3
95.04937	1.4
97.02872	6.0
97.06489	1.1
99.04445	3.0
103.05465	2.6
105.07031	1.8
107.04946	2.1
110.07153	2.6
117.03336	1.6
119.04982	2.3
119.08558	1.3
121.06496	1.2
127.03889	1.4
131.04924	3.1
133.07602	5.2
135.04358	1.7
136.54071	1.3
137.05992	7.4
143.05943	1.1
145.02820	5.5
145.07652	3.0
147.04424	5.5
147.08066	1.7
149.06007	1.4
151.03906	1.5
153.05463	1.3
157.07634	1.8
161.05983	1.6
161.09529	1.2
163.03793	1.4
163.07552	1.4
163.08667	11.2
167.07133	1.9
175.07379	1.6
175.08676	3.0
177.05457	7.7
177.06735	1.6
180.13013	1.1
181.04948	6.0
181.06462	1.0
187.03752	1.1
189.06689	2.1
191.03233	1.2
191.55023	1.2
201.10306	1.7
207.07642	74.7
207.96291	1.2
208.07985	2.3
209.04399	1.4
213.26071	1.1
214.86667	1.1
215.03358	1.2
215.11758	1.2
217.08588	1.6
219.06432	1.2
223.05971	1.8
232.07187	5.9
251.09177	2.1
251.59784	1.1
269.08313	1.6
279.13409	7.2
287.09991	1.9
305.11185	2.0
323.08646	2.6
323.12311	30.9
365.09982	1.8
366.12915	100.0
367.13147	3.6
383.11108	2.3
384.15887	1.4
384.21017	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	383.1121
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.29533	0.5
53.03914	0.7
55.01856	1.8
55.05492	1.4
55.50116	0.5
57.03421	1.6
60.13619	0.5
67.05490	7.0
67.35011	0.5
68.99773	1.5
69.03419	1.1
69.07068	3.8
69.76093	3.8
79.05484	2.8
81.07037	2.4
91.05474	0.6
93.07053	0.7
94.09510	0.5
95.04945	1.2
95.08553	0.9
97.06521	11.5
105.03381	1.8
105.06995	1.3
107.04972	0.6
107.08559	0.9
109.10136	4.8
111.08056	0.6
115.05427	0.7
119.08580	1.0
121.02925	0.5
129.06956	1.0
131.04884	1.5
133.10118	0.8
134.03600	2.0
137.02307	0.7
137.05939	1.1
141.06978	1.0
143.08586	0.6
145.06442	1.5
153.01811	12.0
157.06502	1.2
158.03586	0.9
161.02426	0.7
170.02127	1.1
171.04356	1.0
173.05954	0.8
173.11700	1.6
185.05943	1.0
187.03908	1.0
189.05336	0.6
197.05952	1.7
199.07605	0.6
201.05431	1.9
202.06247	0.7
211.03909	0.7
212.04723	1.1
213.05492	3.4
225.09210	0.5
228.04164	0.7
229.04936	25.5
229.51436	0.5
230.05646	2.7
231.06490	0.8
237.05533	0.7
239.03349	0.7
240.04176	0.7
241.04932	8.2
243.06459	1.0
253.04979	3.1
255.06442	3.2
257.04453	13.0
268.03506	1.0
269.04382	5.3
270.05035	0.6
271.05923	2.0
279.06488	0.5
283.05994	14.4
283.09021	0.6
285.03888	15.5
286.04645	15.8
287.05457	13.0
288.05914	0.7
293.08099	0.7
295.06070	0.9
297.03900	59.5
298.04303	3.2
299.05453	1.7
309.07574	3.4
310.04700	2.7
311.05383	1.5
311.09109	1.9
321.07532	1.0
323.05548	3.1
327.04837	2.5
327.08426	1.1
339.08591	43.0
340.08945	2.6
347.08893	1.3
365.10199	7.0
383.11191	100.0
383.24448	2.4
384.11447	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	383.1121
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.01853	1.4
55.05498	2.0
57.03425	1.0
59.04973	0.4
67.05495	7.9
68.99780	0.9
69.03410	0.6
69.07065	3.7
69.93445	2.2
71.04977	0.8
73.12350	0.4
75.85168	0.4
79.05482	2.2
81.07050	2.6
83.04958	0.5
91.05463	1.7
93.07021	2.3
93.54522	0.5
95.04931	1.4
95.08581	1.8
97.06504	5.4
105.03393	1.3
105.07039	2.7
107.08571	1.8
109.10136	5.5
111.08073	0.5
115.05430	0.7
117.06961	1.1
119.08543	1.9
121.06486	0.6
121.10110	1.2
128.06209	0.6
129.07014	1.3
131.04933	1.1
131.08453	0.7
133.06404	0.6
133.10097	0.8
134.03603	2.0
137.06030	0.8
137.09569	0.5
141.06958	1.0
143.08565	1.2
145.06474	1.2
145.10095	1.9
147.08084	0.7
147.11665	0.9
149.02303	1.0
149.09624	1.0
151.07518	0.6
153.01817	10.0
155.04863	0.6
157.06476	1.2
157.10094	0.9
158.03627	0.8
161.09665	0.7
165.09142	0.6
170.02155	1.0
173.05901	0.6
173.11716	1.6
183.04367	0.8
185.05997	1.1
187.03868	1.0
197.05894	1.2
199.03726	0.6
199.07516	1.1
201.05484	1.0
202.06224	0.6
213.05420	2.1
229.04933	24.9
230.05586	2.8
234.16057	0.7
237.05389	0.5
239.03352	0.8
241.04945	8.2
241.08607	0.6
253.04950	3.7
255.06432	3.5
257.04395	12.5
258.05090	0.7
260.36346	0.6
266.05847	0.5
267.06516	0.8
268.03632	0.8
269.04443	5.5
271.06006	1.1
283.05975	14.0
284.06360	0.5
285.03894	16.4
286.04672	15.0
287.05453	5.9
297.03894	59.1
298.04257	1.2
309.07458	3.3
310.04675	2.5
311.05469	1.3
311.09119	2.2
321.07626	0.7
323.05447	1.4
339.08597	38.2
340.08844	1.2
365.10150	3.2
383.11185	100.0
383.24619	2.0
384.11539	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	383.1121
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.01839	1.7
55.05508	3.2
57.03396	2.1
59.04968	1.3
65.03896	0.7
67.05495	19.8
68.99738	0.8
69.03379	1.7
69.07050	3.9
70.00322	1.4
70.00740	1.6
71.04967	1.0
79.05500	3.3
81.07042	4.6
83.04950	0.7
83.08578	2.4
85.06514	0.9
91.05460	4.3
93.07050	4.2
95.04927	1.7
95.08604	2.8
97.06519	9.3
98.20831	0.7
103.05402	1.2
105.03340	2.4
105.07013	3.5
107.08578	3.6
109.06491	1.4
109.10146	13.2
111.00742	0.7
111.08079	0.9
115.05457	1.0
117.06993	1.1
119.08553	3.2
121.06469	1.0
121.10066	1.6
123.08040	1.1
123.11626	0.7
128.06186	0.8
129.06952	1.3
131.04872	1.8
131.08510	2.1
133.10075	1.8
135.07996	1.3
135.11604	0.7
137.02214	0.6
137.06003	1.0
137.09544	1.1
141.06935	1.4
143.08490	1.5
145.06459	1.5
145.10080	2.1
147.08012	1.0
147.11626	0.9
149.02269	0.8
149.09572	1.5
151.07489	1.2
153.01811	8.5
155.97612	0.6
157.06447	1.5
157.10042	1.5
158.03580	0.9
159.08037	0.6
161.09572	1.1
165.09103	0.6
169.06438	1.2
171.11658	0.6
173.05890	0.9
173.11722	4.5
175.11044	0.9
183.04488	0.8
185.05997	1.5
187.14667	0.6
189.16393	1.1
191.03407	0.7
197.05957	1.6
199.03964	0.6
199.07443	0.8
201.05411	1.3
203.14133	0.7
213.05482	2.9
221.15309	1.5
226.32004	0.5
229.04930	23.3
230.05382	1.2
231.06207	0.6
241.04955	9.5
253.04974	5.1
254.05737	0.7
255.06447	4.4
257.04422	12.9
267.06372	1.1
268.03745	0.7
269.04437	4.8
283.05969	18.6
284.06268	1.0
285.03952	14.8
285.07193	0.9
286.04605	1.7
287.05414	7.2
297.03897	83.1
298.04263	4.9
299.20236	0.6
309.07544	5.2
310.04816	2.8
310.07791	1.1
311.05368	2.6
311.09216	2.6
321.07578	1.3
321.13672	0.7
323.05469	1.6
339.08588	52.8
340.09061	4.3
365.10065	1.7
365.24545	0.7
383.11200	100.0
383.24414	5.0
384.11566	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	383.1123
Annotation	12-Deoxyaklanonic acid
Peak:m/z	Relative Intensity
53.03940	0.6
55.01867	1.3
55.05502	1.2
57.03437	0.8
64.84323	0.5
67.01858	2.6
67.05489	2.9
67.73432	0.4
68.99770	2.1
69.03419	2.3
69.07063	4.2
71.04985	1.0
79.05486	3.4
81.07053	2.4
81.36844	0.4
83.01307	0.5
83.04972	1.3
83.08627	0.9
85.02898	0.5
91.05466	1.8
93.07045	1.7
93.60274	0.4
95.04942	1.7
95.08602	1.6
97.02882	5.1
97.06523	5.5
98.21504	0.6
99.04397	0.4
103.05504	0.5
105.07021	2.6
107.04932	0.6
107.08577	1.0
109.06492	0.5
109.10140	0.5
111.00806	0.9
113.06039	0.4
115.05447	0.5
115.07564	1.1
116.02848	0.4
117.06997	0.9
118.57014	0.4
119.08585	1.3
121.06493	1.1
121.10152	0.5
123.04433	0.9
125.02262	0.4
125.05985	1.0
128.06201	0.6
129.06946	0.7
131.04961	0.5
131.08623	1.0
133.06491	0.6
133.10194	0.5
137.02373	0.8
139.03914	1.0
140.82492	0.5
141.06993	0.6
143.08540	0.9
145.06462	0.7
145.10117	2.1
147.04361	0.6
149.02310	0.5
149.05914	0.5
149.13324	0.4
152.06171	0.6
153.01810	100.0
153.06966	1.7
154.02142	2.8
155.08516	0.9
157.06529	0.5
159.08046	0.5
159.11691	1.0
161.05965	1.1
163.03926	0.6
163.11172	0.7
165.01820	0.5
165.07016	1.7
167.08591	1.4
169.06473	0.6
171.02904	1.6
171.08022	0.8
172.00093	0.4
173.05954	1.6
173.09616	1.7
174.06886	0.4
175.07486	0.7
177.05455	1.3
181.06480	1.1
183.08012	1.5
185.05988	0.8
186.06812	0.5
187.03935	0.5
187.07544	1.9
187.11189	1.3
189.05420	0.5
189.09050	0.6
191.03270	0.4
191.10690	0.6
195.08067	1.3
197.05975	0.7
198.06717	0.7
199.07539	1.8
200.08253	0.7
201.05432	1.7
201.09074	1.0
205.12210	0.7
207.08099	0.5
211.07484	2.5
212.08104	0.6
213.05537	0.9
213.09091	2.7
215.10712	1.4
217.08469	0.4
225.05547	0.6
225.09125	0.5
226.06079	0.7
227.06969	0.6
229.04979	0.8
229.08595	1.5
233.11682	0.9
234.06776	0.8
237.05630	0.7
239.06969	4.4
241.05043	1.2
241.08493	0.9
249.09119	0.5
251.06857	0.6
251.12790	0.5
252.04126	0.8
253.04926	0.7
255.06523	1.0
257.08044	3.7
265.04868	2.3
267.06589	0.7
269.04431	0.7
271.05972	0.8
273.18454	0.8
276.07849	0.7
279.06592	0.8
281.04398	0.6
281.07980	1.3
282.05161	0.7
283.06030	1.4
283.09488	0.4
286.04584	0.6
286.08179	0.5
287.05396	6.0
287.08347	0.6
288.06064	0.5
290.05692	1.2
291.06720	0.6
291.09903	0.6
291.19626	0.9
293.04422	2.9
293.07678	0.8
295.06042	1.5
298.04617	6.6
299.05344	1.5
303.06406	0.6
304.07263	1.3
305.08002	1.4
308.06665	0.7
309.07666	0.8
309.11020	0.9
310.04651	1.4
311.05502	16.6
311.08951	0.8
312.05963	1.6
318.05219	0.6
319.09637	4.3
321.07520	1.6
322.08389	0.5
323.05420	1.5
323.09039	0.7
324.05981	2.4
325.06918	0.7
326.07776	5.9
327.08514	2.4
327.11966	0.5
332.06839	0.9
335.05328	0.5
336.06042	0.6
337.06982	0.9
337.10645	3.7
337.14337	0.5
339.08597	11.3
339.12503	0.9
340.09094	1.3
347.09015	3.3
354.07416	1.0
355.11511	0.9
355.15335	0.5
365.10159	10.0
365.14575	0.6
365.23010	0.6
366.10553	1.3
383.11139	42.5
384.11469	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	383.1119
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
52.22997	0.4
55.01854	1.0
56.79102	0.5
57.03425	0.6
67.05486	1.3
68.99780	0.7
69.03403	1.2
69.07063	2.4
70.16349	2.4
71.04983	0.6
76.61948	0.5
77.04024	0.4
79.05472	2.5
81.03389	0.7
81.07050	0.6
83.04964	2.0
91.05475	0.5
92.36904	0.4
93.06992	0.6
95.04931	1.2
97.02870	2.8
97.06512	8.8
105.03371	0.7
105.07017	1.7
107.08585	1.0
109.06508	0.6
115.05443	0.4
117.06950	0.5
119.04912	0.8
119.08575	0.6
121.02865	0.8
121.06499	0.9
123.04353	0.7
125.05991	1.6
131.04881	0.5
133.06485	0.6
137.02322	24.0
138.02661	0.6
143.08583	0.5
145.06523	1.0
145.10118	1.5
147.04405	1.4
149.02315	5.0
150.03099	0.6
152.39421	0.4
153.01755	0.7
157.06488	1.2
159.11598	0.9
161.05974	0.8
163.03790	0.6
163.11147	0.4
165.06975	0.7
171.08073	0.7
173.05966	0.7
173.09628	1.0
175.03934	0.8
181.06450	0.4
183.08038	0.5
184.05191	0.5
185.05923	1.7
187.03905	6.4
187.11259	1.0
189.05434	7.9
193.04980	1.0
197.05968	1.3
199.07510	1.3
201.05443	2.2
203.06938	0.6
205.12305	0.9
211.03934	0.5
211.07492	0.6
213.05452	8.5
215.03362	9.0
215.10674	1.0
223.07376	0.6
225.05414	1.9
227.07002	2.7
229.04889	2.8
229.08508	0.7
233.11598	0.6
239.03333	1.1
239.07050	0.7
241.04968	4.4
241.08600	1.6
253.04889	1.6
255.06497	5.0
255.09009	0.6
255.10039	0.5
256.06641	0.6
257.04459	6.5
265.08633	0.5
267.02832	2.3
267.05841	0.7
268.03677	1.7
269.04407	3.1
269.07709	0.8
270.05051	1.0
277.34760	0.5
283.05991	16.1
283.09320	1.1
284.06305	1.1
285.03943	9.9
286.04684	2.3
287.05420	5.3
293.04846	0.7
293.08014	1.6
295.06097	0.9
297.03922	4.2
297.07150	0.6
310.04633	0.6
311.09073	6.1
321.07516	1.8
323.05804	0.6
339.08597	15.0
339.12634	0.9
340.09097	0.9
342.02039	0.9
355.11600	0.7
364.55585	1.0
365.10019	1.0
383.11176	100.0
384.11414	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	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01855	17.6
55.05490	5.7
57.03428	4.8
57.07058	6.6
58.44250	2.8
59.04984	4.6
60.04497	15.7
67.00298	3.1
67.05487	9.3
69.03410	20.4
69.07047	10.4
70.02947	8.3
70.06570	9.2
70.99336	8.4
71.04994	3.9
72.04499	30.0
73.02912	17.0
81.03397	20.0
83.04971	8.3
84.04491	3.4
84.08144	4.5
85.02886	32.5
85.06528	13.4
85.59136	3.0
86.09688	4.4
87.08079	5.6
90.05539	65.2
91.05444	6.0
95.04939	13.8
95.43186	3.0
97.02876	14.7
98.02403	13.9
98.97585	4.0
99.04410	7.2
100.03985	7.0
105.07006	3.1
107.04927	8.6
108.23701	3.2
109.02850	28.6
113.06003	4.8
113.23416	2.7
116.03442	19.2
117.06969	3.0
119.04907	5.8
119.08560	3.1
120.08097	7.3
121.02870	4.9
121.06505	4.0
123.04414	6.7
124.07583	24.4
125.05882	2.8
127.03925	26.9
131.06960	3.1
132.06549	7.2
134.05908	3.9
138.05463	3.4
139.03854	3.4
142.08636	19.3
145.04926	11.5
145.06516	4.2
147.04373	23.8
147.08028	9.6
160.09689	8.9
162.05421	3.6
162.09206	3.7
163.03903	5.6
166.08598	6.1
172.09602	4.0
174.11205	8.3
177.05455	5.8
181.04929	6.7
184.09651	34.3
187.07559	3.7
190.08618	19.1
191.03371	4.9
191.07077	3.4
193.08582	4.2
199.06042	16.0
201.09265	3.6
202.10713	100.0
203.10855	5.1
211.09605	6.6
216.08624	4.7
217.07036	10.1
220.09735	5.1
220.11761	45.9
227.10599	3.0
230.10234	6.2
231.02942	5.1
234.09703	14.8
262.12817	21.2
273.11215	6.9
310.12939	9.8
321.97610	3.3
328.13846	39.8
346.14868	12.4
364.15976	27.0
382.15161	6.4
382.27908	7.1
383.13104	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	382.998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	9.1
66.38369	0.3
67.42766	0.3
69.49752	2.8
71.95256	2.1
98.20640	0.6
98.97567	62.4
99.97856	0.4
116.98606	63.2
119.01885	0.6
134.99637	47.3
140.00189	2.3
153.00687	9.4
158.01250	2.9
163.13945	0.4
174.97690	0.4
176.02274	0.6
177.00951	1.7
178.01118	0.6
179.00703	0.8
181.97377	0.6
192.98755	1.1
216.98744	1.0
219.01997	2.9
220.02121	1.1
221.01903	0.9
222.97943	0.5
234.99879	4.7
236.00034	1.5
236.99724	0.6
240.98651	5.4
241.99049	0.5
253.01025	1.1
258.99759	62.4
259.99982	5.2
260.99863	0.9
261.03091	1.9
262.00098	0.4
262.02988	0.8
263.02850	1.1
264.99112	0.9
274.97876	0.5
275.98016	0.5
276.04440	0.5
277.00797	100.0
278.01031	8.6
279.00827	1.6
282.01361	3.1
282.99933	13.8
284.00043	4.7
284.99817	1.7
291.02252	0.4
292.98709	0.6
295.01797	1.2
298.97784	0.6
299.97635	0.4
299.98825	0.5
300.02423	7.2
301.00998	28.0
302.01108	9.2
303.00797	2.9
316.98901	0.8
317.98785	0.6
319.02084	1.4
320.02371	0.4
324.02676	1.0
325.02686	0.6
341.01947	1.4
359.01523	6.3
360.00461	0.8
377.02524	3.2
382.99619	0.7
383.03717	1.3
401.00882	9.1
402.01239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1119
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
53.03936	0.8
53.20701	0.4
55.01856	2.1
55.05493	1.1
56.01612	0.4
56.28902	0.4
57.03421	0.6
57.07050	0.5
65.03936	0.8
67.05482	1.5
68.32495	0.4
68.99771	0.9
69.03413	1.0
69.07056	4.7
71.04960	0.7
71.60229	0.6
79.05476	4.3
81.03387	1.3
81.07040	1.8
83.04970	3.4
85.02886	0.5
91.05449	1.3
93.07011	1.7
95.04942	1.7
95.08575	1.1
97.02879	14.4
97.06518	11.4
103.05431	0.4
105.07011	3.8
107.04922	0.6
107.08547	1.2
108.02016	0.6
109.06497	0.9
109.10106	0.7
115.03931	0.5
115.05447	0.7
117.06981	1.2
119.04984	0.5
119.08540	1.5
120.09134	0.4
121.02900	0.9
121.06493	2.0
121.07244	0.4
123.04379	0.4
125.05986	3.9
129.06969	0.9
131.04886	0.8
131.08527	1.0
133.06477	0.6
133.10120	0.5
134.03632	0.9
135.07950	0.6
135.11621	0.5
137.02315	30.4
137.05954	1.3
138.02687	0.8
141.06944	0.6
143.06985	1.6
143.08583	0.8
145.06448	0.9
145.10092	3.8
147.04352	1.3
147.08026	0.6
147.11536	0.5
149.02332	4.7
150.03090	9.4
153.01794	1.3
155.05942	0.5
157.06477	1.8
157.10150	0.6
158.07268	0.7
159.08060	0.7
159.11656	1.2
160.05200	0.8
161.05933	0.6
161.09619	0.6
163.03891	0.8
163.11180	1.0
169.10052	0.7
171.04396	1.7
173.05885	0.9
173.09573	3.4
175.04109	0.9
176.04605	0.9
177.01801	1.2
177.05292	0.4
177.12727	0.8
183.07951	0.5
184.05171	0.7
185.05943	1.6
187.03879	24.4
187.11142	3.1
188.04649	6.5
189.05435	25.8
190.05855	0.7
191.10654	1.1
193.04886	1.3
194.05296	0.6
195.07950	0.4
197.05957	2.1
201.05458	3.4
202.06236	0.5
203.07118	0.5
205.12199	1.4
207.08128	0.5
212.04610	0.8
213.05431	9.9
214.06081	1.0
215.03363	18.5
215.10617	3.0
216.04015	2.6
217.04910	3.6
225.05417	0.9
227.03381	0.6
229.04919	3.7
230.05650	0.8
231.06441	1.0
233.11691	0.8
239.03325	0.8
241.04900	9.4
241.08598	0.8
241.12206	0.7
242.05540	0.8
253.04977	1.7
257.04419	8.8
258.05106	3.4
259.05920	0.7
267.02969	1.0
267.06216	0.6
268.03607	5.9
269.04407	11.9
270.04968	1.7
283.05954	1.1
283.13037	0.6
285.03897	19.8
286.04663	42.8
287.05426	26.5
288.05869	0.9
295.05951	0.5
297.07394	0.7
323.05667	0.9
327.04822	0.5
337.10703	0.6
337.14246	1.0
339.08444	1.1
339.12332	1.2
365.10101	1.8
365.14001	0.9
383.11157	100.0
384.11530	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	382.1704
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03939	4.0
55.01860	18.1
55.42477	4.4
57.03427	7.3
57.07067	9.9
59.04993	4.9
60.04517	5.7
60.50769	3.7
66.73376	4.3
67.05499	6.8
69.03419	37.8
69.07076	6.2
70.02927	6.5
70.06574	11.5
71.44303	4.0
71.62035	4.4
72.04511	28.6
73.02898	16.1
81.03408	27.1
83.04961	7.6
84.04498	7.0
85.02895	43.6
85.06524	10.3
86.09715	4.8
87.04441	9.7
88.07623	95.4
90.05547	49.6
95.04960	11.6
97.02897	25.1
98.02398	11.5
99.04463	4.8
100.03969	7.1
103.07545	5.1
109.02865	27.6
110.05972	4.0
113.06013	5.6
115.03911	14.5
116.03476	21.8
119.04903	4.3
121.02852	22.3
123.04441	10.4
124.07565	29.3
127.03895	26.1
132.06583	7.2
133.04955	9.6
138.05589	4.5
142.08627	15.5
145.04948	10.2
147.04439	9.7
158.55801	4.8
160.09686	6.9
163.03972	7.7
166.08611	8.5
172.09673	4.9
181.04950	6.8
184.09662	27.3
190.08688	6.8
191.03571	4.2
199.05984	23.2
202.10738	100.0
205.05006	12.6
211.09607	10.7
216.08636	5.2
217.07018	10.0
220.11763	43.1
230.10175	11.8
231.02875	29.5
234.09694	14.5
249.03816	7.5
250.12814	10.5
262.12897	16.7
328.13898	35.8
346.14905	12.7
364.15942	19.5
383.07510	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	379.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
54.03478	0.6
60.06339	0.4
64.44305	0.6
68.04992	0.4
69.03416	0.8
69.07028	0.9
70.06586	1.1
70.13685	2.6
71.04971	0.7
73.87088	0.4
77.70572	0.4
78.86506	0.4
79.05460	1.6
81.03385	1.0
81.07047	0.5
84.08138	0.7
85.02868	0.9
91.04021	0.5
91.05457	1.3
93.07014	0.5
94.06536	0.5
95.04939	0.7
96.05645	0.5
97.02870	1.0
97.06513	1.0
98.21367	0.8
99.04453	1.1
105.22660	0.4
107.04937	3.2
109.02841	1.9
114.05566	0.5
115.05439	0.5
119.08560	0.6
123.04388	1.2
123.08047	0.8
124.05057	1.5
127.03879	1.2
130.04990	0.8
133.06464	1.2
137.05937	0.9
143.05017	0.5
147.04414	0.5
147.08028	0.8
149.04549	1.6
149.05888	0.5
151.07510	1.1
159.08070	0.8
165.05319	0.6
166.07222	1.3
167.07108	1.1
171.04443	0.5
175.07468	1.3
177.05373	0.7
179.23482	0.4
181.04880	0.5
181.08473	0.7
182.08997	1.1
189.06404	1.5
191.06981	0.7
195.06543	1.6
199.11209	0.8
200.09938	0.5
201.06421	1.4
202.07245	3.2
203.08110	2.4
204.08815	12.2
207.10165	1.4
215.07991	1.9
216.08780	100.0
217.09515	5.4
217.11638	0.6
218.10352	9.1
225.06425	4.9
226.07138	1.6
227.07980	1.5
228.08736	1.4
229.09550	1.6
230.10335	11.0
235.09648	1.6
237.05322	1.1
240.08792	23.7
241.09209	1.7
242.10350	5.5
244.08229	2.5
246.09834	13.0
255.09967	0.8
257.95676	0.5
258.09872	6.3
268.08182	1.1
279.06430	0.6
283.09460	2.4
286.09308	32.5
287.09280	1.1
315.12039	2.7
321.03839	0.9
329.09888	1.2
333.13184	2.6
343.11386	1.4
347.10849	3.1
351.08551	0.5
361.08414	0.9
361.12518	5.2
364.05713	6.5
379.08530	2.4
379.13541	34.5
380.13470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01855	17.6
55.05490	5.7
57.03428	4.8
57.07058	6.6
58.44250	2.8
59.04984	4.6
60.04497	15.7
67.00298	3.1
67.05487	9.3
69.03410	20.4
69.07047	10.4
70.02947	8.3
70.06570	9.2
70.99336	8.4
71.04994	3.9
72.04499	30.0
73.02912	17.0
81.03397	20.0
83.04971	8.3
84.04491	3.4
84.08144	4.5
85.02886	32.5
85.06528	13.4
85.59136	3.0
86.09688	4.4
87.08079	5.6
90.05539	65.2
91.05444	6.0
95.04939	13.8
95.43186	3.0
97.02876	14.7
98.02403	13.9
98.97585	4.0
99.04410	7.2
100.03985	7.0
105.07006	3.1
107.04927	8.6
108.23701	3.2
109.02850	28.6
113.06003	4.8
113.23416	2.7
116.03442	19.2
117.06969	3.0
119.04907	5.8
119.08560	3.1
120.08097	7.3
121.02870	4.9
121.06505	4.0
123.04414	6.7
124.07583	24.4
125.05882	2.8
127.03925	26.9
131.06960	3.1
132.06549	7.2
134.05908	3.9
138.05463	3.4
139.03854	3.4
142.08636	19.3
145.04926	11.5
145.06516	4.2
147.04373	23.8
147.08028	9.6
160.09689	8.9
162.05421	3.6
162.09206	3.7
163.03903	5.6
166.08598	6.1
172.09602	4.0
174.11205	8.3
177.05455	5.8
181.04929	6.7
184.09651	34.3
187.07559	3.7
190.08618	19.1
191.03371	4.9
191.07077	3.4
193.08582	4.2
199.06042	16.0
201.09265	3.6
202.10713	100.0
203.10855	5.1
211.09605	6.6
216.08624	4.7
217.07036	10.1
220.09735	5.1
220.11761	45.9
227.10599	3.0
230.10234	6.2
231.02942	5.1
234.09703	14.8
262.12817	21.2
273.11215	6.9
310.12939	9.8
321.97610	3.3
328.13846	39.8
346.14868	12.4
364.15976	27.0
382.15161	6.4
382.27908	7.1
383.13104	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29303	2.6
54.63790	2.8
71.13110	4.3
71.13455	7.1
73.92618	2.5
75.15969	2.9
93.56932	2.9
96.17670	3.3
118.48531	3.5
201.01456	3.2
219.02728	3.3
274.38635	3.9
381.03253	6.2
381.07907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72727	1.1
69.82986	5.2
79.14745	1.1
87.64555	1.1
108.41209	1.3
151.71889	1.0
201.01598	3.8
219.02638	4.2
309.03961	1.0
376.33499	1.2
381.07883	100.0
382.08099	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	381.1331
Annotation	Gnetupendin B
Peak:m/z	Relative Intensity
53.03924	1.8
55.01852	2.7
55.05505	0.7
56.49253	0.7
63.99435	0.6
65.03920	1.0
67.01854	2.7
67.05495	4.5
68.99770	7.7
69.03429	0.9
71.62000	0.8
79.05469	4.1
79.86011	0.5
81.03394	2.6
81.07042	8.8
83.08630	0.9
85.02886	2.1
91.05460	7.0
93.07021	3.0
95.04954	9.0
95.08601	0.9
97.02881	2.1
97.06522	1.2
103.05455	4.9
105.07017	4.7
107.04916	4.1
109.02851	1.6
109.06499	3.4
111.04462	1.4
115.05431	1.3
117.07072	1.4
118.04105	0.8
119.04932	1.7
121.02823	0.7
121.06489	14.9
123.04411	100.0
124.04747	2.1
128.06212	3.0
129.06993	3.9
131.04903	2.5
131.08556	1.6
132.05696	0.9
133.02827	1.1
133.06458	2.5
133.10097	0.9
134.03539	0.8
135.04398	2.4
135.08041	1.5
136.05141	1.2
137.05956	46.7
137.92400	0.7
138.06267	1.1
141.06938	1.8
144.05719	0.9
145.06462	3.6
145.10037	1.0
146.03648	1.2
146.07222	0.6
147.04387	5.3
147.05396	0.9
147.07988	2.0
148.03989	0.8
148.05135	5.6
149.05952	40.3
150.06740	3.2
151.07527	2.5
153.06819	0.8
157.06456	3.6
158.07260	1.9
159.04439	1.7
159.08047	1.6
160.05165	6.9
161.05959	17.8
161.09608	1.9
162.06729	2.2
163.03944	2.3
163.07513	12.5
169.06514	0.7
171.04434	0.9
171.08064	1.4
172.05219	0.8
173.05951	3.5
174.06772	4.1
175.07512	9.0
177.05423	4.1
177.09184	0.9
179.07025	2.4
181.06470	0.7
183.08005	1.1
184.05182	1.4
185.05984	5.6
186.06744	2.1
187.07603	2.5
188.08331	1.1
189.05458	4.2
189.09102	7.9
191.06987	1.5
197.05991	1.5
198.06715	1.0
199.07507	3.8
200.08116	1.2
201.05472	2.9
201.09186	1.2
202.06181	3.9
203.07013	3.9
211.07494	0.9
213.05515	3.3
213.09123	1.2
214.06174	5.5
215.06967	2.2
216.07666	0.8
217.05095	1.0
217.08559	11.0
219.06491	2.4
227.07022	2.4
229.08572	0.9
230.05640	0.9
231.06500	18.9
231.10233	2.3
232.06770	0.8
233.08028	1.9
241.08600	2.0
243.06584	0.8
243.10034	1.3
245.08061	59.1
246.08450	2.3
247.09807	1.5
257.08133	1.6
259.09628	22.1
260.10168	0.8
271.09586	3.6
272.10315	2.0
283.09430	0.7
285.08047	0.8
285.11136	2.4
299.09116	2.4
309.14767	0.7
318.80087	0.7
325.14340	0.7
335.12817	0.7
353.14008	1.9
363.12311	2.5
366.07022	0.9
381.09363	72.7
381.13449	44.1
382.09711	4.8
382.13806	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	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.8
60.04507	1.0
67.05486	0.7
68.97975	0.7
69.03430	1.3
70.06577	2.9
71.65730	0.9
71.66115	1.0
72.08147	0.8
79.05460	0.8
81.03404	1.2
84.04459	0.7
84.08104	0.7
85.02895	1.5
86.09683	0.9
91.05446	1.7
95.04956	1.9
97.02864	1.3
97.06542	0.7
104.05311	0.9
107.04967	1.1
109.06534	0.9
110.06005	1.0
116.07082	1.4
117.33675	0.5
120.08060	2.0
121.06538	0.7
122.06015	0.8
124.03963	0.8
126.09160	0.6
129.10231	0.6
131.08652	0.6
136.07523	0.6
137.05952	4.6
138.06683	2.1
146.27687	0.6
147.04359	0.7
148.05167	12.0
149.06001	1.4
151.03888	1.7
171.07607	0.6
177.05411	1.2
178.05734	0.8
181.08575	100.0
182.08893	2.6
218.89148	0.6
239.06981	1.5
243.02708	0.7
243.08727	3.0
257.12814	2.4
261.03931	1.4
262.06241	1.1
265.19925	0.7
279.06415	1.1
282.08563	0.9
321.03790	1.0
361.08774	0.7
364.05667	3.1
378.10684	1.1
378.15118	3.8
379.08151	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	379.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
67.05478	0.8
68.99776	1.3
69.03409	0.7
69.28156	0.8
71.05602	1.4
71.05956	1.0
75.24194	0.8
79.05470	1.8
81.03395	1.3
91.05445	1.1
93.07022	1.1
94.58151	0.8
95.01317	1.8
95.08590	1.1
97.02868	2.1
102.24354	0.7
103.29568	0.6
104.87421	0.8
105.07043	1.1
107.01255	1.1
107.04930	3.8
109.02835	1.1
113.83936	0.8
115.26550	0.7
118.96467	0.8
121.06480	2.0
121.38099	0.7
123.00803	1.5
125.02271	0.8
125.06002	0.9
129.07021	1.1
135.04376	2.3
137.02267	0.9
139.03905	1.4
148.05112	1.0
151.07520	2.5
153.05453	1.3
157.06424	1.2
161.05913	1.3
163.03830	6.0
167.06992	2.5
168.07819	2.9
171.04437	1.9
174.06795	0.8
175.03926	1.2
175.07549	1.1
177.05383	4.3
178.06213	14.5
179.03354	3.5
179.06897	2.3
181.08554	1.5
183.04382	0.9
185.05954	2.1
186.06647	0.9
187.07391	1.1
189.05463	2.9
189.09157	1.4
191.03378	1.3
191.06993	3.7
192.07799	4.1
195.06439	0.8
197.05914	1.0
199.03854	2.6
199.07491	0.9
201.05392	1.1
203.06946	1.2
205.04890	2.2
205.08647	1.6
206.05713	1.2
210.08810	2.4
211.03935	0.8
213.05438	4.1
214.06146	1.5
215.03394	0.8
215.06917	1.7
216.04158	0.9
216.07629	1.0
217.04951	2.0
217.08627	1.0
225.05403	1.0
227.03288	2.5
227.06985	1.8
228.03990	1.0
229.05031	1.5
229.08539	1.4
230.05670	1.1
231.06430	5.7
232.07088	1.1
241.04781	4.7
242.05473	1.5
243.02831	1.0
243.06476	2.3
244.03625	1.0
244.07204	1.9
253.04926	1.4
255.02798	1.7
255.06589	0.9
256.07220	2.1
257.04440	2.6
257.07965	1.8
258.05206	2.2
258.08762	1.0
259.06000	8.9
268.07242	1.4
269.04395	3.6
271.06021	2.0
272.06750	2.1
273.07544	2.7
274.08289	2.0
283.06009	2.0
284.03876	1.2
284.06577	5.3
285.03897	2.9
285.07495	3.0
286.08267	1.0
287.05457	59.0
287.08649	2.6
288.05847	1.5
289.10803	1.6
290.72437	0.7
300.06177	4.3
301.07025	3.3
302.07797	14.7
312.06216	11.0
313.03369	1.2
315.04715	1.1
315.08569	14.2
316.09131	1.1
317.10144	100.0
318.10513	4.1
328.05701	1.6
331.04401	0.9
332.09128	0.8
333.09702	4.0
343.08041	11.7
361.09106	48.0
362.09482	2.2
379.10199	15.3
380.10394	0.9
392.46725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03936	1.9
57.03435	7.9
59.04979	1.1
61.02921	3.2
66.48175	0.6
69.03423	11.6
69.44008	0.6
70.82623	1.3
71.01339	2.4
71.04982	2.8
73.02906	1.8
75.04457	2.6
81.03400	3.5
88.26270	0.6
99.04445	5.7
127.64007	0.7
134.69455	0.7
145.07559	1.8
159.09195	0.8
170.07126	1.9
172.08681	26.4
174.10219	1.0
198.06578	6.2
200.08174	4.9
215.14734	0.7
216.07663	16.7
218.09288	0.8
243.08739	67.5
244.06905	0.8
244.09166	1.5
286.82581	0.7
301.57285	0.8
359.13281	3.3
377.14511	100.0
378.14847	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	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.8
57.03423	2.9
62.06091	2.0
67.05486	2.0
69.03419	6.0
70.06566	2.4
71.57811	4.0
73.02926	2.5
81.03424	3.5
81.04559	2.2
84.06400	2.2
85.02895	10.5
87.00781	2.3
90.76967	1.8
91.05483	2.3
91.59538	1.6
91.91734	1.7
97.02895	4.6
98.97595	6.6
99.04462	1.9
105.01867	2.8
108.39158	1.7
109.02849	2.0
115.03939	2.4
116.98584	4.2
119.04955	4.4
123.04549	2.8
127.03905	4.1
129.05476	2.4
131.07048	2.7
134.99638	4.3
137.05963	100.0
146.99680	3.7
147.04388	11.0
163.07559	3.8
177.00668	3.6
179.07028	3.6
181.08611	11.6
203.07051	1.8
205.08542	2.4
273.10480	1.7
340.11288	1.8
379.15967	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	377.1225
Annotation	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
55.01860	1.7
55.05495	1.6
57.03437	1.5
57.45511	1.2
65.03915	1.3
67.05501	3.1
67.37808	1.3
68.99769	4.7
69.03404	2.8
69.07067	2.0
70.77843	4.5
71.04987	1.5
73.64503	1.3
79.05481	6.3
79.85545	1.1
81.03410	2.0
81.07047	6.3
83.04947	2.0
83.69333	1.1
85.02884	1.4
91.05466	5.6
93.07021	3.4
95.01300	1.2
95.04969	3.4
95.08580	3.2
97.02881	2.6
97.06523	25.9
103.05459	1.8
105.07011	5.3
107.04922	3.0
107.08564	2.9
109.02885	2.0
109.10119	1.9
115.05457	1.2
117.06968	2.0
119.04929	1.7
119.08580	3.7
119.40331	1.1
121.06493	1.6
121.10113	2.2
123.00827	1.8
123.04451	2.0
125.05991	1.9
129.06969	1.9
131.08542	3.6
133.10106	2.7
135.04391	3.6
137.06004	1.5
138.60316	1.4
139.00253	3.7
145.10112	2.1
147.04355	2.5
149.05890	1.6
151.07436	1.6
153.01788	6.5
153.05368	2.3
155.04967	1.3
157.10123	2.2
159.08028	1.4
159.11661	2.3
161.05936	2.1
161.08064	1.4
161.09619	1.5
162.06758	3.0
163.03891	5.0
165.09061	1.3
167.07040	2.6
167.08481	2.1
169.10008	1.8
173.09608	1.5
175.03874	1.7
177.05521	3.0
178.06253	13.1
179.07050	2.1
179.08566	1.9
181.08539	2.2
185.00790	1.2
187.11217	1.6
187.14722	1.6
189.05428	1.8
191.03323	3.0
191.06993	4.4
191.08585	1.4
193.08557	2.3
195.06468	1.8
195.08130	1.9
195.10088	1.8
197.09717	1.2
206.05672	1.6
207.08055	2.2
209.06052	1.8
210.08791	2.3
211.03990	1.6
213.05399	2.2
216.04218	4.4
217.04959	2.6
219.06451	1.8
223.07700	1.5
225.09029	3.4
229.04924	1.6
231.02966	2.7
231.06468	4.4
235.07454	1.9
241.04875	1.9
242.05548	1.6
243.06494	2.7
244.03500	2.1
246.05199	3.7
253.08611	2.5
255.02835	11.4
257.04504	2.3
259.02338	2.4
259.05966	5.1
260.06842	1.8
265.08694	1.3
266.12878	2.8
269.04379	5.2
270.05219	2.4
274.04730	8.1
277.03467	2.7
277.08783	1.8
281.08078	4.1
283.02377	2.2
283.06055	2.0
284.03018	2.1
284.06409	1.4
285.03809	2.0
287.05475	11.9
288.05936	1.4
291.06595	2.3
292.05853	1.7
297.03967	2.6
299.05469	2.7
300.02612	5.2
300.05975	1.5
301.03421	1.4
301.07031	3.6
303.08636	3.2
313.03326	6.4
313.06711	2.2
315.04959	60.4
315.08383	4.6
316.05600	6.8
321.14731	3.1
328.05728	4.8
329.06717	2.8
330.07358	15.7
331.08081	26.7
332.08493	1.6
333.09595	6.8
341.06387	4.2
344.08899	5.0
345.09644	100.0
346.10086	6.8
349.14240	4.9
359.07608	38.3
360.08041	2.0
377.08716	9.8
377.13800	25.9
377.23624	5.1
378.09241	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	377.086
Annotation	(6R,6aS,12aR)-6,9,11,11a-Tetrahydroxy-2,3-dimethoxyrotenone
Peak:m/z	Relative Intensity
50.67462	0.3
51.46743	0.3
55.01857	0.5
68.99781	1.8
70.08749	1.8
79.56534	0.3
81.68779	0.4
83.01312	1.2
97.02894	0.5
97.06508	0.6
98.20736	0.3
103.05434	0.3
105.06960	0.5
107.04910	0.4
117.06984	0.5
123.00750	0.3
131.04855	0.5
133.06500	0.5
134.03613	0.6
135.04454	0.5
137.02361	0.5
139.00237	1.1
139.05435	0.4
145.06499	0.4
149.05971	0.4
151.07523	0.5
155.04877	2.4
159.04355	0.5
161.06006	0.5
162.06720	0.4
162.19490	0.3
163.03877	0.6
165.09077	0.4
173.05934	0.5
178.02536	0.5
178.06195	0.9
179.03363	0.7
179.07063	0.7
181.08580	0.7
183.04428	2.1
186.03131	0.6
187.03877	1.4
189.05441	0.4
190.02675	0.5
191.03383	0.9
191.06969	0.8
193.08575	0.5
195.06476	0.6
200.00958	0.5
200.04579	0.4
201.05453	1.9
202.02545	2.0
203.03290	0.7
211.03885	1.5
214.02609	3.1
215.03346	1.5
216.04297	0.4
217.04886	1.7
218.02191	0.5
218.05936	0.4
219.06488	0.5
227.03304	0.6
228.04100	0.5
229.01361	0.4
229.04935	5.3
230.05710	0.5
231.02809	1.2
239.03305	0.4
241.04939	1.1
242.02074	4.4
243.02745	0.8
243.06467	0.6
245.04341	0.5
246.05206	1.3
247.02242	0.4
257.04413	6.1
258.05255	0.5
259.02374	0.8
260.03140	0.9
261.07623	0.5
266.13028	0.6
270.01538	12.1
271.02277	1.0
273.07526	1.2
274.04684	3.1
277.03467	0.7
284.03214	0.5
285.03897	10.2
286.04324	0.4
288.02524	0.9
298.00958	2.8
301.03421	0.5
301.07031	1.1
310.04697	0.5
313.03369	100.0
314.03745	3.1
315.08539	0.8
316.05652	1.7
317.06384	2.6
327.04889	2.6
328.05600	1.1
331.08099	6.9
332.08411	0.4
333.09500	1.8
341.06442	0.8
345.06006	6.5
359.07568	8.7
377.08618	3.6
377.13232	0.7
395.92627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03480	0.3
64.51593	0.4
68.99755	0.4
71.58451	0.5
83.01296	0.4
105.06989	0.5
107.04889	0.4
115.05457	0.4
131.04884	0.8
134.03629	0.5
137.02319	0.4
148.95551	0.3
153.01768	0.6
155.04877	2.5
159.04352	0.6
162.03020	0.4
163.03949	0.5
173.05829	0.5
174.03058	0.6
178.02583	0.6
178.06226	1.2
179.03325	0.8
183.04410	2.4
186.03096	0.7
187.03876	1.6
189.05428	0.6
201.05496	2.1
202.02577	2.6
203.03381	0.5
211.03838	2.3
214.02525	2.6
215.03368	1.2
216.04243	0.7
217.04930	1.7
218.02086	0.8
223.02414	0.8
227.03297	0.6
228.04059	0.4
229.04898	4.6
231.02901	0.8
241.04927	0.9
242.02068	6.8
243.02916	0.9
244.03606	0.4
257.04413	5.4
260.03220	0.7
261.03806	0.6
270.01569	12.1
271.02216	0.7
274.04599	0.5
285.03918	10.0
285.06860	0.5
288.02689	1.5
298.01053	2.5
313.03381	100.0
314.03671	2.9
315.05011	0.5
317.06494	1.5
330.07169	0.6
331.08151	1.0
344.08887	4.8
345.06079	4.4
345.09857	0.7
359.07593	1.5
377.08511	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	377.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
54.83184	3.2
55.01834	5.2
56.96557	23.7
57.03432	28.9
59.04981	4.0
59.94092	3.2
61.02927	20.9
69.03044	6.1
69.03423	100.0
70.03763	4.9
71.04968	4.2
71.65862	4.6
72.08150	5.2
73.02903	14.5
77.00868	5.4
77.71745	3.4
81.03392	12.3
82.06559	6.1
84.08157	3.9
84.96006	6.9
85.02897	78.8
86.03215	3.8
87.04462	44.8
87.75422	4.0
91.05550	4.4
94.06574	8.4
97.02875	71.0
98.97583	38.4
99.17999	3.2
99.60820	3.7
100.07562	5.6
101.00879	12.1
103.02435	7.6
107.04980	3.7
109.02868	10.8
110.97557	8.5
111.02023	4.9
112.99117	4.2
115.02417	6.6
115.03910	41.3
116.04286	3.9
116.98618	17.2
119.01900	52.1
120.01980	6.7
121.01638	7.0
121.03397	4.4
127.03907	17.0
128.98613	7.2
131.00197	5.8
131.01871	19.7
133.03459	20.8
133.04939	28.2
134.03499	4.2
134.99661	7.1
135.03191	5.6
137.01808	5.0
137.02921	6.9
139.04222	4.8
143.00165	9.8
143.01848	23.5
145.03450	31.1
145.04913	6.9
146.02394	4.5
146.99577	9.0
147.03102	5.7
148.04778	5.9
149.01164	6.5
149.02971	6.5
149.04797	4.7
151.04512	9.3
155.01807	7.8
155.87965	3.3
157.03459	11.3
158.99684	8.9
159.01352	6.5
161.01237	12.6
161.02948	38.0
162.03139	5.3
163.04524	6.2
165.00645	5.4
168.99727	4.1
170.99792	6.6
171.01366	11.7
171.05074	4.3
173.01563	4.0
173.02916	21.6
174.99199	5.6
175.04552	12.3
176.04643	6.5
177.00674	11.6
183.05193	4.1
185.02895	20.5
187.00916	9.5
187.04449	12.3
189.00668	12.6
189.02444	16.1
189.04065	4.2
189.06117	10.0
191.02216	6.4
191.03925	9.2
192.04645	16.0
197.02945	8.1
199.00925	4.8
199.04535	6.4
199.06320	5.9
200.04440	5.9
201.00688	9.7
201.02455	5.6
203.03905	17.8
203.55371	5.4
205.04477	12.3
205.06270	5.4
205.56436	7.8
206.04382	6.6
207.03476	8.7
207.05170	9.0
213.02348	6.9
214.05937	6.0
215.00388	18.8
215.03961	3.7
217.01970	5.5
217.05531	17.4
218.05681	9.3
219.01764	12.9
220.57060	6.4
221.05008	16.8
221.06956	4.9
223.04623	6.6
223.06598	6.3
223.10408	6.3
228.05682	7.7
229.01994	5.5
229.05591	6.4
231.03542	19.2
233.04930	6.2
235.06618	7.6
237.02818	8.0
241.05540	6.5
243.03700	5.3
245.05028	7.6
247.02971	14.6
251.04439	9.1
253.07649	6.4
257.01385	7.4
263.06345	4.5
263.09888	7.0
265.07709	6.5
269.05319	11.5
271.06573	4.5
275.02411	33.9
275.05603	4.7
277.07593	17.9
278.07813	9.0
280.08093	45.8
280.58203	6.4
285.04596	8.7
287.02518	4.4
287.06400	4.5
289.03940	11.8
289.07236	5.0
295.08646	18.0
307.05078	6.6
307.08694	5.9
317.01422	4.3
335.08212	4.5
349.06085	14.8
377.08398	14.9
377.12927	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1385
Annotation	Tiagabine
Peak:m/z	Relative Intensity
56.05006	1.9
58.44423	0.8
65.03955	1.0
67.05480	1.9
69.03425	1.2
70.06583	4.7
72.04482	1.6
74.06051	1.1
80.04999	5.3
84.08128	1.9
85.02880	1.9
86.09713	2.1
91.05457	1.7
94.06568	1.7
95.07358	1.7
96.08097	4.3
97.02886	1.9
98.20751	2.0
100.07645	1.4
103.05461	1.4
105.07042	1.3
107.04961	1.6
108.08105	3.6
108.51595	0.9
115.05476	1.3
116.07095	2.5
120.08078	1.4
122.03504	1.1
124.07579	15.0
125.29022	0.8
126.09198	0.9
127.03888	2.1
128.04237	0.8
129.06892	1.0
131.04881	1.5
136.07524	1.2
137.05956	6.2
137.75594	1.0
138.06314	2.9
138.09100	1.0
139.09906	10.5
140.10695	6.1
140.62418	1.0
147.04387	1.6
153.06943	1.1
155.08713	0.9
155.49332	0.8
159.69585	1.0
161.05977	2.5
162.06381	1.1
163.03935	1.5
163.07578	3.1
164.07932	2.0
167.05049	0.8
167.06976	4.9
167.08385	0.9
168.05890	0.8
168.07382	1.5
169.06508	1.9
169.10135	1.2
170.05972	2.1
173.02348	1.2
175.06273	1.5
175.07600	1.1
177.05382	1.1
179.07077	1.0
179.08504	1.2
181.06456	1.1
185.05933	0.9
186.09067	5.8
187.06247	3.4
188.07005	11.7
191.03377	3.8
193.04933	0.9
195.08032	2.1
196.07643	2.1
197.05998	2.1
197.09642	2.6
198.09210	1.3
199.06212	11.6
200.06891	1.8
201.07719	1.7
202.08601	1.2
203.09357	5.9
204.10057	1.9
211.06216	2.2
212.07024	5.0
213.05585	2.2
213.07686	2.4
213.09438	1.3
214.08588	27.2
215.06989	0.9
215.08952	1.2
216.10146	7.0
219.02892	3.7
219.06474	1.8
222.09200	1.2
223.07555	2.9
225.07738	2.9
225.09459	2.1
226.08519	5.4
227.09169	1.8
229.10942	2.3
232.09659	68.9
233.10005	2.5
238.08617	1.7
239.05716	7.1
240.10094	7.5
241.04900	1.2
241.08611	2.2
241.10861	1.4
242.11868	0.9
243.05217	5.5
243.08813	9.1
244.09718	7.7
247.11995	47.1
248.12462	1.7
250.12340	1.0
252.06532	3.0
253.10924	1.5
254.05743	1.2
254.08099	1.2
254.11746	1.1
255.08926	1.9
256.09634	11.4
257.10184	2.2
258.11203	11.5
259.11835	1.0
266.08212	1.3
266.11780	1.9
267.05200	1.8
268.13297	1.5
269.07874	4.4
269.10590	1.4
270.07651	2.9
270.11200	2.7
271.11935	2.8
272.12775	46.7
273.13037	2.6
274.10892	1.1
280.06039	1.0
283.08347	8.8
284.09210	3.8
284.12808	17.1
286.14374	3.1
287.07877	4.0
288.08630	3.8
294.11392	1.2
298.10706	6.3
301.09283	3.1
302.10394	1.7
311.07904	6.1
312.12216	16.5
313.12561	1.7
314.13815	1.4
316.11771	34.7
317.12143	4.0
322.10583	1.2
330.09702	1.4
330.13312	29.5
331.13641	1.9
332.14948	3.8
340.11737	23.7
341.12427	1.9
346.02734	3.7
358.08719	1.7
358.12817	23.6
359.12894	1.4
361.05057	1.9
376.07321	9.8
376.13873	100.0
377.07254	2.6
377.14005	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	376.1386
Annotation	Tiagabine
Peak:m/z	Relative Intensity
52.09027	1.2
60.50828	1.2
67.05501	1.7
70.06593	8.1
71.60384	2.0
72.04505	1.7
73.99992	1.3
75.79148	1.2
80.05014	3.2
86.09718	1.7
93.07005	1.8
94.06543	1.6
95.08555	1.6
96.08113	2.8
96.72465	1.3
108.08102	3.5
109.02843	1.5
120.04481	2.1
120.08113	2.2
123.04415	1.4
124.07586	9.8
127.03918	5.3
128.04256	3.8
129.07072	1.5
131.08588	1.6
137.06009	1.7
138.09152	1.4
139.09909	5.2
140.10707	4.9
147.04419	2.1
148.03902	12.4
149.04247	8.9
149.24028	1.3
152.06142	1.4
161.05946	2.3
165.06915	1.6
166.04988	4.3
167.05315	2.7
167.08806	2.9
169.06456	2.7
170.06065	2.6
170.68225	1.4
171.08046	1.5
172.03908	2.0
173.02470	1.4
173.04268	3.3
177.05495	1.7
179.08588	3.4
181.10156	1.4
186.09128	3.1
187.06126	2.5
188.07037	10.3
190.04997	1.6
191.03391	3.5
195.08084	3.8
196.07574	1.6
197.05981	2.3
197.09566	2.7
199.06293	6.0
203.09453	4.4
204.06490	2.8
205.06847	4.0
207.08121	2.2
210.06815	2.9
212.07002	6.5
213.07632	2.3
214.08604	17.7
216.10205	6.0
217.13469	1.4
223.07550	6.6
225.07819	3.9
226.08687	5.2
228.10225	2.3
229.10910	1.9
232.09657	40.4
234.09276	1.7
238.08644	2.1
239.05780	4.0
240.10184	4.7
241.08650	4.4
243.05219	1.8
243.08888	5.7
244.09659	5.8
247.12013	25.2
252.06480	2.4
256.09476	9.8
256.11899	1.9
257.10400	5.3
258.11282	11.3
265.07761	1.4
266.11691	1.7
269.08066	6.1
269.10605	1.9
270.07611	2.7
270.11246	8.9
271.11920	2.0
272.12787	15.1
274.12698	2.4
283.08392	3.6
284.10187	1.3
284.12976	14.5
287.07803	2.2
288.08600	3.5
298.10800	4.1
301.11880	4.0
302.12274	17.0
311.08054	2.2
312.12170	13.6
316.11679	11.7
330.13434	14.2
332.14798	3.2
340.11859	12.4
341.12158	1.4
344.13199	2.2
358.12830	26.1
359.07657	2.4
376.13931	100.0
377.14301	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	375.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41771	4.4
53.03937	6.9
53.20638	4.3
55.05505	17.8
65.03940	4.3
65.57764	3.5
67.05514	27.0
69.07063	17.4
71.04984	4.1
71.65750	5.8
71.66460	3.8
79.05488	36.2
79.24651	3.3
81.07055	48.2
83.08599	4.1
91.05466	52.9
93.07041	84.4
94.93141	4.2
95.04951	38.5
95.08595	43.2
97.06552	7.9
105.07018	100.0
107.08586	49.3
109.06514	8.3
109.10154	21.0
110.23428	3.1
114.74330	3.5
115.05451	6.7
117.07012	16.8
119.08563	80.5
121.06499	15.7
121.10136	65.5
123.08080	5.1
123.11694	7.0
125.47734	4.5
128.06218	10.2
129.07018	18.4
129.42708	4.2
130.07790	7.0
131.08562	54.0
133.10098	50.7
135.08028	5.9
135.11703	18.4
141.06918	5.0
142.07767	22.1
143.08563	29.6
144.09308	9.1
145.10107	57.1
147.08046	6.2
147.11671	14.9
151.24968	3.9
154.07735	4.3
155.08548	11.4
156.09387	10.2
157.10103	40.2
159.11687	34.9
161.09584	11.0
165.06941	6.6
167.08574	6.7
169.08780	4.5
169.10089	22.6
170.10808	4.3
171.11673	21.2
173.13197	20.9
175.11116	4.8
175.14882	11.1
179.08537	6.7
181.10158	10.6
183.11693	12.7
185.13260	10.1
187.11172	7.8
187.14804	14.1
193.10193	6.6
194.10872	6.1
195.11731	10.7
197.13255	11.6
199.14784	6.3
201.16345	3.9
207.11681	6.4
208.12480	4.0
209.13249	6.7
211.14738	7.3
213.16492	4.3
253.15932	7.2
279.21207	5.2
345.06094	4.7
357.25848	4.3
375.10837	8.0
375.26733	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.05501	26.4
57.03425	3.7
57.07059	4.0
62.59215	3.2
67.05499	32.5
69.07061	19.5
69.99047	18.8
70.84998	3.0
77.62757	3.9
79.05491	39.9
81.07047	62.2
83.08594	8.3
91.05475	58.4
93.07038	82.9
95.04957	40.7
95.08595	45.4
97.06509	13.4
98.21304	5.4
103.05490	4.7
105.06335	7.0
105.07018	100.0
107.08573	45.6
109.06506	16.1
109.10148	24.5
116.06268	3.3
117.07001	21.0
119.08571	86.0
121.06480	19.5
121.10136	75.3
123.08053	8.2
123.11682	8.5
128.06203	11.0
129.06989	13.9
130.07724	10.2
131.08556	47.4
133.06389	2.9
133.10109	50.3
135.08058	5.1
135.11664	21.2
136.47682	3.4
141.06970	4.7
142.07768	29.5
143.08546	27.0
144.09264	4.3
145.10110	63.5
147.11674	20.6
153.06984	5.2
154.07793	3.5
155.08511	10.8
156.09328	9.0
157.10138	48.5
158.10878	6.5
159.08047	5.5
159.11690	34.9
161.09602	11.4
161.13280	7.2
165.06990	5.6
166.07820	5.9
167.08592	4.6
169.10106	25.9
170.10864	4.5
171.11690	19.7
172.12352	6.8
173.09627	3.4
173.13300	21.6
175.11108	7.1
175.14832	9.6
179.08522	8.2
181.10156	11.3
183.11720	16.6
185.09659	4.8
185.13216	9.1
187.11162	7.5
187.14803	9.1
192.09389	3.4
193.10019	7.3
194.10817	5.0
195.11649	14.4
196.12331	5.0
197.13266	11.3
199.14822	11.5
201.16350	6.2
206.10878	3.6
207.11647	4.0
209.13214	9.8
211.14813	8.3
211.40044	3.4
213.16443	3.5
220.12436	3.9
221.13243	3.8
223.14795	5.5
225.16313	4.6
235.14919	5.5
237.16367	4.2
253.15791	5.6
265.19446	4.3
275.20041	8.0
319.20422	3.6
325.13727	3.2
375.26776	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60250	1.4
53.03925	4.4
55.01863	3.1
55.05502	13.2
57.03414	5.4
57.07055	6.8
58.06583	2.6
65.03917	2.7
67.05493	33.4
68.33309	1.4
69.03406	5.6
69.07052	13.0
70.06579	16.0
71.04965	4.3
71.06898	4.8
71.08606	3.9
71.63630	2.1
72.85745	1.6
74.09358	1.2
74.58265	1.4
75.67899	1.3
79.05474	31.2
81.03403	5.9
81.07043	36.5
83.04993	3.8
83.08594	5.9
85.02885	2.7
85.06523	1.8
88.07223	1.8
88.07620	21.4
89.07939	4.2
91.05467	28.9
93.07027	30.5
95.04408	1.7
95.04945	10.2
95.08588	30.8
97.02851	2.4
97.06525	8.5
97.10143	1.8
102.09177	11.1
103.09492	3.6
105.07007	30.0
107.04932	3.7
107.08580	18.6
109.06499	6.8
109.10141	8.2
111.08027	2.2
115.05408	2.3
117.07007	15.5
119.08563	20.6
121.06499	5.8
121.10136	11.6
123.04435	1.8
123.08051	12.8
123.11694	3.7
123.30006	2.0
125.09612	3.2
128.06201	4.6
129.07005	11.7
130.07777	1.9
130.93994	1.5
131.08556	18.1
133.06451	4.0
133.10062	12.2
135.08005	6.0
135.11681	7.5
137.09517	2.6
138.60327	1.5
141.06926	2.7
142.07785	2.2
143.08551	9.5
145.06447	3.3
145.10110	18.3
147.08040	3.0
147.11664	10.9
149.09558	3.9
149.13228	1.9
151.07564	3.6
153.09070	2.8
155.08516	4.8
156.09338	2.2
157.10123	7.5
159.08046	4.4
159.11652	6.5
161.09601	4.8
161.13258	3.8
163.11134	2.0
165.56213	1.5
167.08585	2.6
169.10130	4.1
171.08025	2.4
171.11700	5.6
173.09593	3.4
173.13235	6.6
175.11200	2.8
181.10100	2.5
183.11652	5.4
185.09645	1.9
185.13249	2.9
187.11171	3.2
195.11652	4.1
197.13194	2.5
199.14862	1.7
203.14397	1.9
211.14984	1.9
213.16464	1.8
273.18610	1.6
277.21707	2.7
311.23657	2.1
312.32394	5.0
313.32855	37.6
329.24698	4.1
339.23126	7.4
357.24167	15.1
357.35480	5.8
375.06781	3.9
375.10764	7.0
375.20593	2.2
375.25366	39.6
375.36569	100.0
376.25491	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01863	0.5
55.05503	1.1
56.05029	2.5
57.03430	0.6
57.93037	0.3
67.05515	1.7
69.03414	2.2
69.07058	1.0
69.38744	3.5
70.06588	1.1
71.04983	2.4
79.05483	1.3
81.03415	1.1
81.07043	2.5
82.06551	0.5
83.04964	0.5
84.04490	0.8
84.08132	100.0
85.02891	3.3
85.06514	0.5
85.08470	1.2
86.09682	2.5
87.00795	0.6
87.04478	0.4
87.10033	0.6
91.05451	1.8
92.05813	1.0
93.07040	1.3
95.04974	0.8
95.08613	0.5
97.02882	1.4
97.06531	1.1
98.21491	0.6
102.05557	0.4
103.05447	0.4
105.01882	0.4
105.07024	1.3
106.07317	0.4
107.04970	0.5
107.08568	0.4
109.02864	0.6
112.07628	0.5
119.08553	1.3
120.08022	0.4
121.10120	0.4
123.04435	0.4
123.11723	0.7
127.03895	7.0
127.04765	0.6
129.06973	0.7
129.10229	1.8
130.08624	7.4
131.04953	0.5
131.08556	0.4
133.04991	0.4
133.10075	0.4
135.08070	0.5
137.05963	5.8
139.52390	0.3
147.11417	2.6
151.03885	1.1
151.07521	0.7
156.10229	0.4
157.10109	0.5
161.05905	0.7
163.07516	1.9
167.06947	2.3
175.11169	0.4
193.04897	0.7
193.08542	0.4
193.12096	0.4
195.07843	0.5
215.13942	0.4
216.14148	0.4
248.20084	0.4
250.21599	2.6
251.15630	0.4
259.11246	0.9
276.19559	1.8
287.05469	1.0
293.22046	0.7
294.20511	2.6
312.21646	8.8
313.21783	0.5
313.24872	4.6
321.21545	0.7
339.22763	1.1
345.04501	3.4
346.04718	0.5
347.04153	0.5
357.23801	1.3
363.05676	1.2
375.10541	1.2
375.24835	24.8
376.25174	1.8
377.29361	0.3
387.05679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72927	0.7
53.03929	1.3
55.01862	1.3
55.05507	1.1
56.96546	2.9
57.03425	1.0
61.02899	1.3
68.99807	0.7
69.03430	7.0
69.36330	3.4
69.36757	4.0
70.06572	2.1
72.08128	4.6
73.02898	1.3
79.05465	1.0
80.05006	0.8
81.03414	5.6
81.04513	1.3
81.07059	1.2
82.06554	1.2
84.04478	2.8
84.08128	3.1
85.02892	11.7
86.09698	6.6
87.00812	1.7
87.04478	0.9
91.05467	3.1
91.79520	0.7
93.07019	1.5
95.04941	1.0
97.02867	4.1
98.97575	1.7
99.04432	1.4
102.05495	0.9
105.01831	0.8
105.07000	2.6
107.08574	4.2
108.04511	0.7
108.08134	0.8
109.02866	5.2
111.04476	0.8
115.03936	0.7
116.98601	1.1
119.04980	1.1
119.08559	7.3
121.10133	2.0
124.03989	1.0
127.03898	100.0
128.04240	1.7
129.10178	1.1
131.08585	2.2
133.04919	0.7
134.99573	0.7
135.04504	0.7
136.94171	0.9
137.05972	1.7
143.11806	0.9
145.02824	0.9
145.04962	1.4
147.04442	1.3
147.08011	2.2
149.09587	1.8
155.07204	0.8
157.13402	1.0
159.02896	1.6
165.05536	0.9
165.09109	2.1
167.06996	0.9
177.05450	1.8
177.09123	2.2
178.05916	0.8
182.03249	0.8
195.10118	5.0
198.07646	1.2
199.07999	1.1
201.12244	0.8
203.09439	1.3
205.11774	0.9
213.11177	17.6
221.10495	1.3
231.05338	2.1
237.02675	1.1
243.10327	0.9
243.13460	2.1
252.06537	1.1
253.06769	1.6
255.05780	0.7
259.50323	0.8
261.09909	0.9
271.08026	1.0
274.03931	1.0
278.61081	0.8
284.08853	1.1
285.09491	4.3
331.09961	1.2
357.08017	3.0
375.09091	15.7
375.14395	9.6
375.22815	1.1
376.14169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2371
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
52.16596	1.1
53.03920	4.2
55.01860	7.2
55.05505	21.2
57.03428	8.6
57.07056	4.3
58.46672	1.1
59.04982	4.1
61.02918	12.5
61.70717	1.3
67.05491	10.0
69.03416	35.1
69.06696	2.7
69.07058	45.7
70.07382	1.2
71.04985	12.5
73.02909	6.2
79.05478	5.4
81.03412	15.3
81.07048	28.1
83.01330	1.4
83.04971	8.8
83.08612	10.1
85.02891	91.0
85.06529	23.0
87.04467	8.3
91.03938	4.9
91.05476	3.4
93.07030	14.6
95.04961	1.7
95.08592	44.1
96.08875	1.6
97.02876	30.2
97.06509	3.7
97.10150	12.6
99.04442	3.6
99.08083	24.3
100.08361	1.3
103.05417	1.5
105.06999	4.6
107.08573	28.8
109.02865	12.6
109.06504	1.5
109.10136	16.9
111.08041	4.3
111.11716	6.9
113.09624	9.3
115.03910	2.0
119.08546	1.5
121.10128	43.8
122.03679	1.2
123.07986	1.6
123.11707	10.6
123.33275	1.2
125.09593	9.4
125.13210	1.4
127.03894	50.4
128.04190	2.4
131.04865	3.0
135.11678	18.4
137.05952	12.5
137.13232	23.8
139.11137	10.7
145.04933	17.1
149.13208	7.7
151.07506	3.4
151.14806	5.5
153.12732	14.6
163.07526	3.5
167.07021	5.3
167.34850	1.3
175.07568	1.6
177.16360	100.0
178.16745	4.0
181.08577	3.9
195.17418	40.3
196.17793	1.5
198.08553	1.2
209.08020	2.3
213.18469	44.9
214.18813	2.0
270.74097	1.2
285.10974	4.5
313.10510	1.5
329.06506	3.3
329.09909	1.4
357.09494	1.7
375.06836	5.5
375.10989	10.7
375.23590	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	375.107
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.44165	0.2
61.98569	0.2
67.80955	0.2
68.99781	3.3
69.03379	0.5
69.83450	1.4
75.17162	0.3
85.02833	0.3
91.05428	0.3
94.30582	0.2
99.00781	0.3
107.04949	1.3
121.06437	0.4
123.04336	0.3
125.02316	0.3
126.03048	0.3
133.06396	0.6
135.04390	1.1
136.05101	0.3
138.03061	0.2
139.00258	1.6
141.01677	0.3
147.04366	0.5
149.02303	0.3
149.05945	0.4
151.07507	0.5
153.00650	0.3
153.01799	3.6
153.05315	0.5
154.02551	0.5
161.05885	0.9
162.06670	0.9
163.03865	3.9
164.04668	3.4
165.01784	0.4
165.09055	0.7
166.99715	1.3
167.07010	1.2
168.00546	2.3
169.01294	4.7
175.03731	0.2
176.04602	0.3
177.05420	0.9
178.06230	13.2
179.03351	0.6
179.07007	3.9
181.01266	0.3
181.04892	0.8
182.02081	2.8
183.02777	0.8
185.00806	4.3
186.01611	2.0
191.03348	0.3
191.06987	2.2
192.07651	0.7
193.01266	0.6
193.08569	5.4
194.02074	0.4
200.03023	0.6
201.05388	0.6
205.04973	0.5
206.05626	0.2
207.02786	0.2
208.03583	0.3
209.04344	0.5
210.92815	0.2
214.06177	0.3
219.06410	0.8
221.04332	0.3
225.05437	0.3
228.04144	0.3
229.04781	0.6
232.03639	0.3
233.04352	0.4
239.03421	0.3
242.02068	0.4
243.06427	0.6
245.04343	0.3
246.05202	2.7
247.05769	0.3
253.04782	0.6
256.03592	0.5
257.04419	2.1
258.05133	0.8
259.02341	0.7
259.05713	0.2
261.03891	0.3
269.04370	0.4
270.01590	0.8
271.02472	0.4
271.05902	1.5
273.07568	0.5
274.04645	1.9
281.04471	0.4
283.05975	0.3
284.03101	1.0
284.06522	0.2
285.03912	4.1
286.04547	0.4
287.01883	3.0
287.05130	0.5
289.07047	2.0
296.06705	0.5
298.01080	0.5
298.04663	0.5
299.01828	0.8
299.05429	3.5
300.02536	0.4
300.05936	0.3
301.07004	0.8
302.04187	2.3
311.05316	0.5
312.02664	0.4
313.03354	3.6
313.06943	0.7
314.04111	2.2
314.07822	1.4
315.01260	2.1
315.04871	0.6
315.08545	0.6
317.06522	7.5
318.06842	0.4
324.06213	1.2
326.07736	0.4
327.04980	6.9
328.05499	1.3
329.06509	11.5
330.03659	4.3
330.07016	0.6
331.08139	0.3
332.08456	0.3
341.06537	0.2
342.07294	4.2
343.07880	0.9
345.06000	34.3
346.06326	2.0
359.07440	1.1
360.08350	16.2
361.08740	1.1
375.10703	100.0
376.11020	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	375.1068
Annotation	Arteanoflavone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01847	0.6
65.03902	0.3
67.05507	0.4
68.99789	0.5
69.03394	0.8
69.07066	0.5
71.63667	0.5
79.05459	0.5
81.03405	0.9
81.07030	0.4
85.02883	1.0
85.87937	0.3
91.05457	1.0
95.04935	0.4
95.08573	0.6
95.87950	0.3
97.02885	0.5
97.06528	0.8
99.04449	0.4
100.01677	0.3
105.03389	0.3
105.07047	0.7
107.08594	0.5
107.39320	0.4
109.02862	0.7
109.06461	0.4
115.03932	0.4
117.06988	0.3
119.04939	0.5
121.06494	0.5
123.04389	0.7
124.22632	0.4
127.03875	4.2
130.22209	0.4
137.05948	1.8
139.03951	0.5
147.04347	0.6
149.05969	0.5
153.01814	6.5
154.02495	0.4
157.10141	0.4
161.05946	0.8
163.03906	2.3
163.07486	0.6
165.05423	0.4
165.09094	0.4
167.07018	1.1
169.04843	0.6
170.02061	0.5
173.05910	0.4
175.03848	0.5
177.05469	1.1
179.03383	1.1
182.05577	0.4
185.09796	0.3
187.03842	0.4
190.06178	0.7
191.03369	1.8
191.06993	0.7
192.04099	0.8
193.04948	3.4
194.05595	0.5
197.04465	0.8
197.08009	0.8
201.05452	0.9
204.04201	0.4
205.04887	0.7
207.06493	2.5
208.07269	1.8
209.04550	0.6
213.05452	0.8
215.03395	0.8
215.07033	0.4
216.04196	0.4
217.04918	0.5
218.02197	0.5
219.02887	1.5
222.05246	0.7
228.04059	0.4
229.04987	2.8
230.05711	0.7
231.02843	0.7
232.12094	0.3
234.05164	2.1
239.03366	0.5
241.04840	0.9
242.02051	1.0
243.02849	4.7
243.06487	0.6
245.04422	0.5
246.05299	0.6
255.02763	0.5
256.03540	0.7
257.04419	4.5
258.05069	0.6
259.02454	0.5
260.03171	1.3
261.04041	0.7
263.01959	0.5
267.03070	0.4
268.03632	1.3
269.04471	1.0
270.01575	0.7
271.02457	0.6
271.06015	1.9
273.04086	0.9
273.07520	1.5
274.04709	1.1
281.04456	0.7
282.05060	0.5
283.02448	0.4
283.05951	0.5
284.03033	0.7
285.03912	4.9
286.04346	0.6
287.05490	0.4
289.06979	1.1
296.03015	2.5
297.03888	1.0
298.04623	0.5
299.01810	1.3
299.05475	3.0
301.03699	0.7
301.07095	2.6
302.04193	2.8
311.01834	0.6
311.05417	7.4
312.06006	1.0
313.03381	7.8
313.07037	2.4
314.04218	2.4
315.01413	0.5
315.04721	0.5
317.06512	12.2
318.06793	0.8
325.07071	0.4
327.04944	4.0
328.05426	0.8
329.06522	9.8
330.06808	1.1
331.08157	1.6
341.06696	1.0
342.07300	1.5
343.08118	1.6
344.08853	1.1
345.05994	26.4
346.06125	1.8
359.07581	1.3
360.08240	5.1
375.10715	100.0
376.11038	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	375.1067
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.74422	0.2
56.26544	0.3
65.66436	0.3
67.37789	0.2
68.99783	3.1
69.03402	0.4
71.29121	0.7
81.03417	0.2
85.02876	0.3
91.05457	0.6
99.00832	0.3
99.13641	0.3
105.06992	0.4
107.04934	1.4
119.04909	0.8
119.40906	0.2
121.02852	0.4
121.06499	0.4
123.04440	0.4
125.05988	0.3
127.03877	4.2
133.06471	1.2
135.04376	0.8
137.05975	0.4
139.00247	0.9
139.03868	0.4
146.69241	0.3
147.04370	1.2
149.05986	0.6
150.06750	0.6
151.07494	1.1
153.01834	0.6
153.05420	0.3
154.02609	0.6
161.05943	1.6
162.03093	0.4
162.06754	1.9
163.03886	2.3
164.04634	2.7
165.09142	1.4
165.10301	0.3
166.99702	0.6
167.07033	0.8
168.00504	3.5
169.01308	6.0
175.07433	0.4
177.05392	1.6
178.06218	5.3
179.03354	1.3
179.06978	2.3
181.04913	1.0
182.02069	0.9
183.02901	0.5
185.00801	2.9
186.01588	2.6
187.03883	0.4
191.06998	4.7
192.07800	2.0
193.08577	11.3
194.02019	0.4
194.08951	0.4
194.22191	0.2
197.05952	0.6
199.02342	0.3
200.03143	0.4
201.05423	0.9
204.04453	0.3
206.05782	0.6
207.06490	0.7
211.03757	0.4
213.71797	0.3
215.07085	0.4
215.74658	0.3
217.04964	0.3
219.06476	1.1
220.07262	0.3
225.05461	0.6
228.04153	0.5
229.04910	1.3
239.03407	0.4
243.06573	0.7
245.04434	0.4
246.05193	0.6
247.05957	0.4
253.04939	0.9
256.03644	0.5
257.04379	3.6
258.05115	0.5
259.05655	0.3
261.03506	0.3
267.03046	0.4
268.03683	0.4
269.04596	0.4
270.05209	0.8
271.02670	0.4
271.06000	1.5
273.04016	0.3
273.07617	0.3
274.04614	1.0
281.04376	1.4
283.05994	0.7
284.03268	0.7
285.03952	3.1
286.04590	0.5
287.01852	6.4
288.02167	0.4
289.07059	1.5
290.07617	0.5
295.02295	0.5
296.06644	0.7
296.91779	0.3
297.03885	0.6
298.04724	1.2
299.01901	0.8
299.05344	4.2
300.02661	0.5
300.05948	0.6
301.03729	0.3
302.04211	2.6
309.03937	0.4
311.05469	0.9
312.02670	0.5
313.03467	4.9
313.07080	0.8
314.04117	2.6
314.07867	3.0
315.01337	1.8
315.04886	0.6
315.08350	0.6
317.02719	0.4
317.06491	8.8
318.06985	0.6
324.05966	0.4
325.06897	0.4
326.07684	0.4
327.04953	5.5
328.05484	1.1
329.06506	16.2
330.03641	3.3
330.06979	0.9
331.08145	1.0
342.07336	4.3
343.08060	0.8
345.06003	25.8
346.06396	2.2
359.07407	1.4
360.08334	17.7
361.08746	1.3
375.10696	100.0
376.11038	7.4
392.20944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1068
Annotation	Arteanoflavone
Peak:m/z	Relative Intensity
51.00588	0.2
54.01272	0.3
56.66212	0.3
63.11749	0.3
65.35752	0.3
68.99776	3.4
69.55199	2.1
80.43140	0.3
91.05440	0.3
107.04929	0.7
119.04915	0.4
121.06500	0.5
125.02402	0.3
127.03901	4.2
128.04185	0.3
133.06474	0.8
135.04390	0.7
135.07957	0.4
137.05930	0.4
139.00215	0.8
147.04417	0.9
149.06000	0.5
150.06750	0.4
151.07518	1.0
153.01793	0.5
154.02611	0.4
161.05930	1.2
162.06735	1.6
163.03867	2.1
164.04659	2.0
165.01866	0.3
165.09055	1.2
166.99837	0.4
167.06996	0.9
168.00534	2.6
169.01256	3.7
175.07390	0.3
177.05492	1.5
178.06226	4.6
179.03415	0.6
179.07025	1.4
181.04942	0.9
181.08565	0.6
182.02092	0.8
183.02870	0.4
185.00778	2.3
186.01572	2.5
191.06992	3.5
192.07767	1.9
193.08571	10.0
194.09035	0.4
197.05997	0.4
199.02449	0.6
201.05467	0.5
205.04909	0.3
207.06586	0.5
215.03299	0.3
216.07755	0.3
219.06494	1.3
225.05481	0.5
229.04922	1.1
239.03375	0.4
243.06557	0.4
245.04350	0.3
246.05373	0.6
247.05898	0.4
253.04936	0.7
257.04434	2.0
258.05017	0.7
262.59491	0.3
267.02954	0.4
270.05225	0.7
271.05939	1.0
273.07416	0.3
274.04749	1.0
281.04459	1.0
284.03049	1.1
285.03745	2.1
287.01865	4.7
289.07114	1.4
295.02274	0.5
295.06082	0.3
296.06625	0.5
297.04044	0.4
298.04630	0.6
299.01892	0.7
299.05405	3.8
300.02576	0.6
300.05963	0.5
302.04227	1.7
309.03943	0.4
311.05487	0.8
313.03491	4.5
313.07108	0.9
314.04126	2.3
314.07822	2.7
315.01297	1.1
315.04758	0.4
317.06546	6.9
318.07083	0.3
324.06384	0.3
325.06995	0.3
327.04935	5.1
328.05728	0.6
329.06525	13.5
330.03561	2.6
330.06943	0.7
331.07965	0.6
341.06589	0.4
342.07324	4.3
343.08014	0.8
345.06003	21.9
346.06522	1.7
357.09598	0.4
359.07553	1.2
360.08347	15.7
361.08890	1.0
375.10693	100.0
376.11047	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	375.1065
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
67.05489	0.6
69.03410	0.8
79.05470	1.0
81.03329	0.6
82.00568	0.4
85.02903	0.5
91.05466	0.9
95.04856	0.5
95.08614	0.5
127.03916	2.9
131.04898	0.6
137.05940	0.9
147.04417	0.7
150.03148	0.7
153.01808	7.2
161.05954	0.6
163.03848	0.8
167.07019	0.9
169.06334	0.5
170.02071	0.9
175.03864	1.0
177.05499	0.6
178.02638	0.9
183.04286	0.5
191.06963	0.8
193.04929	2.7
197.04379	0.7
200.04619	0.6
201.05434	1.1
203.03444	1.6
207.06491	0.8
208.07281	1.6
213.05421	1.2
215.03404	1.3
216.04153	1.1
228.04089	2.3
229.04970	3.1
230.05479	0.6
231.02882	3.5
240.04068	0.8
241.04869	1.3
243.02823	1.6
246.05254	0.5
253.05048	0.9
255.03040	0.6
256.03580	3.2
257.04391	2.7
259.02374	3.3
268.03693	1.6
269.04449	1.5
270.01566	2.2
270.04645	0.6
271.03119	0.8
271.05957	6.2
273.04449	0.5
273.07532	2.9
274.04770	2.5
281.04492	0.7
283.02432	0.9
283.05804	0.7
284.03171	2.1
285.03903	13.6
285.07031	0.6
286.04468	1.4
287.01819	0.9
289.07037	1.4
296.03040	0.9
297.03827	1.7
298.04639	0.9
299.02200	0.8
299.05426	15.6
300.05884	1.5
301.03537	0.8
301.07050	1.3
302.04196	1.7
305.02795	1.1
311.05536	3.8
312.02548	1.0
312.06161	0.7
313.03369	5.0
313.07117	1.6
314.04059	2.1
315.01245	0.9
315.04974	0.7
317.03009	0.6
317.06445	6.3
327.04926	13.4
327.07910	0.5
328.05594	1.1
329.02740	1.1
329.06516	4.5
330.03766	2.8
342.07349	4.4
343.07980	1.1
344.08871	0.9
345.05997	38.6
346.06354	2.6
359.07401	0.7
360.08328	21.3
361.08844	1.3
375.10715	100.0
376.11044	7.5
376.24429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.54961	0.1
55.01610	0.1
55.01851	0.9
57.03413	0.5
59.05009	0.1
59.57138	0.1
61.02906	0.5
63.57792	0.1
63.87761	0.1
65.77235	0.1
68.99766	0.3
69.03421	2.8
69.78173	0.9
71.04973	0.4
71.98819	0.1
73.02914	0.6
75.97781	0.1
81.02937	0.2
81.03403	3.1
83.93700	0.1
84.08138	0.1
85.02892	5.0
85.97105	0.1
86.09696	0.3
87.00817	1.8
87.13741	0.1
91.03959	0.2
91.05452	0.6
93.07056	0.2
97.02870	1.8
99.04443	1.0
105.01833	1.1
105.07007	0.6
107.08556	0.8
109.02865	2.7
117.01846	0.4
117.08897	0.1
119.08552	1.5
121.02849	0.4
121.10114	0.4
123.08037	0.2
124.03952	0.2
127.03896	100.0
128.04221	1.5
129.01802	0.2
131.08530	0.5
135.07944	0.1
144.16441	0.1
145.04947	1.1
147.02922	0.2
147.08028	0.5
149.09575	0.4
159.02885	1.5
159.07971	0.2
165.09091	0.6
167.10667	0.2
177.05270	0.1
177.09091	0.4
195.10129	0.9
213.04082	0.1
213.11192	5.7
231.05080	0.5
233.94618	0.1
261.59995	0.1
375.09244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01859	0.8
57.03424	0.4
61.02913	0.4
68.99783	0.2
69.03424	2.0
69.66897	1.6
71.04982	0.5
73.02902	0.5
81.03410	2.8
85.02890	4.2
87.00826	2.2
91.05470	0.2
97.02852	1.1
99.04454	1.1
105.01858	1.0
107.08600	0.3
109.02858	2.4
117.01853	0.3
119.08624	0.3
127.03897	100.0
128.04236	1.3
131.08510	0.2
145.04929	1.3
147.08041	0.3
159.02843	1.6
184.39864	0.2
192.18167	0.2
213.11171	1.4
231.05025	0.5
342.20248	0.2
361.92764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01866	0.7
55.05513	0.9
61.02914	0.6
62.92561	0.4
69.03420	3.3
69.07066	0.8
70.06621	0.5
71.04980	0.5
73.02905	0.9
79.05488	0.8
79.50968	0.5
81.03408	4.3
81.07066	0.9
84.08091	0.5
85.02901	5.8
87.00827	1.9
91.05485	1.1
93.07027	0.7
95.08608	1.0
97.02885	2.3
99.04427	0.8
105.01843	1.3
105.07043	0.5
107.08589	0.6
109.02874	3.0
117.01814	0.5
121.06509	0.6
121.10168	1.0
127.03898	100.0
128.04248	1.2
135.04362	0.8
136.05132	0.9
137.05949	2.1
145.04948	1.3
151.07530	7.4
159.02878	1.6
163.03882	0.5
163.07553	0.7
166.06236	1.5
167.07007	1.3
171.04352	0.7
177.16338	1.4
178.06252	3.4
179.07042	1.5
181.08569	17.8
195.17377	1.1
199.03862	0.6
209.08055	10.7
213.18463	0.9
227.03238	0.9
230.05672	1.1
241.04765	0.5
242.05713	0.7
245.07907	0.7
273.03796	0.8
273.07318	0.7
285.10858	1.3
286.04440	0.7
299.01688	1.2
313.10406	0.7
320.16879	0.5
329.06485	14.1
330.06763	0.9
347.07394	1.3
357.09698	0.9
375.06839	16.7
375.10522	1.9
376.07007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01874	1.0
55.05511	0.7
57.03431	0.4
61.02929	0.7
64.03154	0.5
69.03414	3.5
69.07085	1.3
69.87384	2.8
71.05001	0.8
73.02900	0.5
79.05484	0.7
81.03405	4.3
81.07059	1.5
85.02905	6.1
85.06531	0.9
86.43037	0.4
87.00823	2.1
91.05471	1.5
92.99761	0.6
95.08611	1.0
97.02893	1.5
99.04453	1.5
105.01846	1.6
107.04964	0.6
107.08568	0.8
109.02869	3.6
109.10131	0.5
115.05473	0.7
121.02840	0.5
121.06509	0.5
121.10159	1.3
123.07982	0.5
127.03898	100.0
128.04240	1.4
131.04895	0.8
135.11665	0.5
136.05174	0.8
137.05981	3.7
137.13232	0.6
145.04947	0.9
147.04385	0.6
149.05942	0.5
150.92271	0.4
151.06372	0.6
151.07530	7.7
159.02864	1.4
163.07471	1.0
166.06227	1.0
167.07002	1.5
171.04459	0.6
177.16368	1.6
178.06247	4.2
179.06952	1.3
181.08572	17.6
182.08864	0.5
193.08560	0.5
195.17468	0.5
199.03789	0.5
202.06227	0.5
209.08072	11.0
209.10062	0.7
213.03809	0.5
213.18344	1.0
215.03389	0.5
227.03204	0.5
230.05554	0.4
241.04857	0.5
255.02791	1.1
258.05176	0.9
270.05255	0.9
271.02310	0.5
285.10941	1.2
299.01758	0.9
313.10269	0.8
325.43167	0.4
329.06516	13.8
347.07355	1.4
357.05807	0.9
375.06812	19.1
375.10498	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	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52771	7.8
53.03940	10.4
53.54476	7.6
53.97897	7.1
55.01855	15.9
55.05495	39.3
57.03437	10.6
67.05490	77.5
69.03423	10.0
69.07053	43.0
69.66948	16.7
69.67350	50.8
71.04991	100.0
79.05484	52.9
81.07047	76.7
81.77723	7.4
83.08623	13.4
87.55786	10.2
91.05467	36.6
93.07034	54.7
95.08600	60.6
97.06530	25.3
97.10151	25.8
105.07014	28.8
107.08597	63.4
109.10152	60.3
111.08058	13.7
117.07002	15.3
119.08596	22.0
121.10132	26.7
123.08072	9.4
125.09663	16.8
131.08609	9.8
133.10123	26.0
135.08112	9.8
135.11673	24.9
143.08566	8.9
145.10146	14.5
147.11716	18.8
149.13225	17.0
155.10626	10.7
157.10083	11.7
159.11668	48.1
173.11697	77.6
177.12727	23.5
187.13330	67.5
203.12738	18.7
209.15300	14.4
241.17961	53.4
275.19989	41.0
289.21738	20.4
298.32654	8.4
307.22546	11.0
345.05957	18.4
374.30942	8.3
375.06644	11.4
375.10760	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.9
57.03424	1.8
58.99851	4.6
61.02924	1.6
69.03426	2.9
70.06581	1.1
70.07640	0.9
70.99856	1.2
71.58893	1.1
73.02897	1.6
77.00895	6.6
81.03397	2.0
82.99867	1.8
84.08138	3.3
85.02890	5.7
86.99308	1.8
87.04469	1.2
89.00887	1.8
91.02445	3.4
95.01927	1.6
97.02863	4.0
98.97569	1.9
100.07642	1.0
101.00868	20.6
102.00947	1.3
103.02464	1.7
105.00359	3.8
109.03506	2.7
113.00857	2.5
115.02420	10.0
118.03488	1.2
119.01907	100.0
120.02000	4.4
121.03498	2.0
126.98781	5.8
127.03889	13.0
129.03949	1.8
129.31505	1.0
131.01892	16.4
132.01913	0.9
133.03456	37.3
134.03613	1.3
135.04964	2.0
137.02939	20.3
138.03209	1.0
140.10518	0.9
141.00377	2.3
142.03496	3.1
143.01892	9.4
144.99809	43.2
145.03470	9.7
145.99902	1.7
147.01410	5.0
147.05006	4.0
149.02934	12.3
151.04510	7.1
154.98131	1.1
155.01915	2.0
157.03439	4.5
159.01382	9.3
159.04970	1.6
161.02946	18.6
162.03116	1.3
163.00873	12.9
163.04517	5.4
165.02432	1.2
167.04005	2.9
168.01340	1.1
168.99792	21.9
171.01385	8.6
172.99283	13.9
173.00642	1.6
173.02927	10.6
173.99411	1.0
175.00876	8.7
175.04512	3.9
177.00961	1.6
177.02429	22.9
177.05667	1.0
178.02577	1.3
183.05153	1.9
185.02933	3.3
187.00861	45.7
188.01045	2.6
189.00818	0.7
189.02428	18.1
190.02719	1.1
191.00363	14.6
191.02090	1.6
191.03937	8.8
193.01965	4.0
195.03502	4.3
196.99290	6.9
199.00838	11.1
199.04625	1.1
201.02431	11.4
201.04140	1.4
203.00348	1.3
203.04068	4.7
203.09242	1.1
205.00085	1.6
205.01906	19.0
206.02074	1.5
207.03485	8.3
210.02460	3.0
211.00813	1.5
212.98779	2.7
215.00337	42.9
215.03819	1.9
216.00514	2.3
217.01936	22.8
217.03902	1.6
217.05479	1.4
218.02139	1.7
219.01733	1.3
219.03508	19.4
220.03647	1.4
221.01416	1.3
221.05031	2.0
221.10405	3.3
223.02975	11.0
224.98839	1.9
227.00316	7.3
227.03835	2.0
228.03441	1.2
229.01909	14.9
230.02200	1.5
230.99811	6.6
231.03571	3.5
233.01389	4.4
235.02963	2.9
235.06682	1.2
238.01964	3.1
239.00346	1.2
240.03571	2.5
241.82576	1.0
242.05128	1.7
242.99895	6.2
245.01387	14.8
246.01723	1.2
247.02969	42.0
248.03098	3.6
249.04704	1.8
251.02434	3.2
253.07671	2.0
254.99855	12.3
257.01328	2.1
258.99435	1.5
259.02933	6.4
261.00821	1.5
261.04800	1.3
261.09900	2.1
263.02512	1.3
265.04080	13.0
266.99890	1.3
268.02988	1.1
270.04514	4.6
270.99496	1.8
272.06369	1.0
273.00854	21.2
274.01077	1.6
275.02515	3.4
275.09796	1.1
276.02258	1.0
277.04028	7.6
282.99182	2.1
283.05042	2.3
285.00903	2.7
287.02420	5.9
289.00494	1.1
289.04041	2.5
291.01801	1.6
296.02460	2.0
301.00357	15.8
303.01917	2.9
305.03668	4.6
315.01953	32.2
316.02252	2.9
317.03461	1.6
319.01471	5.9
324.01901	1.5
331.01257	1.2
333.02994	23.4
334.03107	2.0
343.01382	12.5
347.04166	1.2
349.30521	1.1
356.04724	2.1
361.02481	10.7
362.02817	1.4
375.03989	5.6
375.13596	6.1
384.03741	1.2
393.05060	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	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	55.8
59.04984	14.1
64.32589	9.1
67.05492	100.0
69.07050	49.5
70.31327	40.0
71.04983	86.7
78.70076	9.3
79.05473	66.2
81.03433	13.2
81.07046	80.3
83.08608	22.1
88.52108	9.3
91.05464	38.0
93.07034	68.5
95.08605	34.5
97.06528	26.8
97.10143	26.3
105.07010	30.0
107.08590	59.8
109.10144	66.6
111.69179	10.1
117.06965	17.1
119.08574	15.2
121.10106	26.7
125.09612	25.8
131.08546	13.4
133.10081	16.3
135.11642	15.7
136.01117	10.5
145.10086	19.0
147.11600	13.5
149.09586	13.5
159.11659	37.5
169.10101	10.8
173.11754	69.9
177.12709	30.2
178.06245	17.2
187.13223	41.3
203.12714	26.1
219.57251	10.1
219.83467	9.7
241.17905	39.1
274.44427	11.1
275.19980	41.7
279.24109	10.8
291.94812	11.4
342.73465	10.9
345.05945	25.9
358.31931	12.6
375.06775	17.2
375.10837	73.0
383.40387	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	374.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.7
57.03413	0.7
58.01465	2.7
58.99858	0.5
62.06069	2.3
66.10703	0.4
69.03400	2.1
69.54133	2.3
69.54546	1.6
73.02872	0.7
75.22214	0.5
76.02482	1.3
77.00873	0.7
81.03381	0.8
82.06545	2.3
84.08121	0.7
85.02904	3.0
86.09678	0.5
87.04440	1.0
87.73975	0.5
94.06550	1.0
97.02880	2.4
98.97535	1.4
100.07608	7.2
101.00839	1.0
101.07903	0.7
103.02416	1.1
112.02465	0.5
113.04476	0.6
115.02394	1.8
116.98637	1.0
119.01889	2.8
124.41410	0.5
126.05496	0.7
127.03912	6.9
129.03958	3.0
130.03473	2.0
130.07103	2.7
131.01860	2.1
131.05534	12.5
133.03429	2.1
138.05443	0.8
141.67220	0.5
143.01869	2.0
145.03456	1.0
145.04884	0.6
147.05040	4.5
148.04507	6.3
148.08199	4.0
149.06583	26.9
150.06714	1.2
154.03448	0.5
155.01880	0.8
157.03511	1.0
158.02992	1.4
158.06598	2.5
159.01341	1.3
161.02910	2.1
163.04454	0.5
166.05605	3.8
170.06625	0.6
172.04533	2.3
172.08136	0.7
173.02922	4.2
174.06100	1.2
176.04010	2.3
176.07709	4.4
177.05557	0.6
184.04530	1.3
184.08237	1.8
185.02840	0.6
185.06604	1.2
186.04404	0.8
186.06018	1.0
187.00804	0.7
188.07634	1.3
190.05562	2.6
191.03955	1.1
192.07062	0.9
194.08063	1.4
196.04401	0.6
197.06540	0.6
202.09222	42.1
203.04100	0.9
203.07600	1.0
203.09430	1.7
203.55463	0.8
204.07112	1.5
206.08704	1.1
211.53085	0.7
212.07512	3.4
212.09035	0.9
212.09450	1.0
214.05492	2.5
215.00392	0.9
215.03963	0.6
215.07626	5.4
220.10278	54.6
221.10364	3.1
222.08186	0.9
226.05586	2.2
227.07616	1.7
228.07175	1.2
229.07423	1.2
230.08699	5.9
232.06653	7.5
233.08652	1.5
242.08496	2.5
243.11870	2.7
244.06662	1.4
245.08705	4.5
246.08334	0.9
247.08504	2.5
254.04773	0.8
260.09769	39.9
261.09943	2.0
262.07599	0.6
268.06055	0.7
274.11374	1.2
275.09521	0.9
278.10767	2.2
283.11212	1.4
284.06204	0.6
284.09268	1.7
300.05649	1.0
307.05176	0.7
329.40964	0.5
332.08084	1.0
344.08099	0.7
346.13394	9.2
347.13483	0.8
356.07678	0.9
374.09061	3.5
374.12921	100.0
375.09528	0.5
375.13269	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	374.1417
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
57.03431	0.4
63.65545	0.4
69.03402	1.5
69.95878	2.8
70.06562	1.1
71.07554	0.4
72.08160	0.5
78.63857	0.4
81.03389	1.4
84.08136	0.5
85.02889	1.6
86.09693	1.4
87.00812	0.9
97.02888	1.0
109.02873	1.0
112.03699	1.6
123.02309	0.5
127.03896	26.5
144.31569	0.4
145.02809	1.4
149.06592	1.4
153.05252	1.2
161.06055	0.5
171.06349	0.8
177.04083	0.4
177.05418	2.4
195.06528	0.9
202.09238	1.5
220.10281	2.9
224.08891	1.5
242.09964	14.7
242.12437	0.8
257.09927	2.7
260.09717	2.7
303.10449	1.1
328.96848	0.4
346.13513	0.8
374.14145	100.0
375.14529	3.1
393.45047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01862	3.7
57.03417	2.0
61.02908	2.9
65.03934	1.3
68.99785	1.4
69.03420	17.6
69.88683	4.7
70.06583	1.7
71.04988	1.8
71.90945	0.9
73.02888	3.9
81.03407	12.4
82.06570	1.4
84.04503	4.4
85.02892	51.4
86.09696	15.1
87.00814	19.2
91.05469	100.0
92.05824	1.5
95.04924	0.9
97.02876	18.9
99.04436	5.9
102.05515	1.2
103.03920	1.0
105.01855	27.9
105.07037	1.8
108.04453	3.6
109.02865	15.7
114.18740	0.9
115.03880	1.1
117.01826	1.1
126.05505	1.3
127.03897	41.1
129.01825	2.2
129.06921	1.0
131.08598	1.2
132.10191	4.2
137.05957	2.1
145.04951	14.9
145.06551	1.6
147.02863	1.9
151.03902	3.0
153.01756	1.2
157.06470	2.0
159.02867	8.7
171.02885	1.1
171.08043	2.8
175.07500	2.3
189.03949	2.4
193.99374	0.9
197.12804	1.4
199.07545	2.0
208.98755	1.0
213.03981	1.1
215.13861	3.4
217.08653	2.9
222.77106	1.0
231.04956	10.8
243.13364	2.0
248.07825	1.9
303.05112	1.4
315.04962	3.2
374.08725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0867
Annotation	CV 2961
Peak:m/z	Relative Intensity
69.03414	0.6
70.06599	0.4
71.58167	0.9
81.03398	0.6
84.04483	0.6
84.11909	0.4
85.02895	1.3
89.06017	0.7
91.05425	2.0
93.05455	0.4
95.04913	0.4
97.02868	0.4
103.05465	1.0
106.02916	0.8
115.96426	0.3
116.71895	0.4
117.03242	0.4
119.04937	3.0
124.03912	0.9
127.03905	4.0
131.05537	0.4
134.99609	0.4
135.04445	0.6
136.07494	0.4
137.96312	0.4
138.05487	8.7
138.06487	0.7
141.06961	0.4
145.02837	0.8
147.04369	4.0
149.06606	0.5
154.06482	2.4
163.03857	2.6
168.08104	0.7
177.05467	1.5
178.06509	2.6
179.07315	1.0
180.08025	0.5
180.55531	0.4
182.06049	0.4
184.04045	0.4
191.03354	4.5
195.06587	0.7
195.12277	1.1
196.07591	1.4
198.05432	0.6
199.06284	1.3
200.07028	6.1
202.09190	1.1
206.06004	2.7
207.06830	0.7
208.07632	0.8
210.74377	0.4
212.07028	5.7
213.07642	0.6
219.02983	0.4
220.10291	1.2
223.06233	0.9
224.07021	6.0
225.07805	4.9
226.04977	0.7
226.08638	1.8
231.05273	0.6
234.05470	1.0
236.07094	1.1
238.08601	3.8
240.06616	1.2
241.07343	1.0
242.10071	1.8
251.05760	1.2
252.03839	0.8
252.06523	15.8
253.07169	1.1
254.08133	1.3
256.09747	0.5
257.06738	0.8
258.07593	7.9
258.10123	0.7
260.09705	0.7
266.08173	1.2
268.06000	4.0
269.06848	1.1
270.07590	6.7
271.07999	0.6
280.06113	1.3
282.07593	0.9
283.08322	4.0
284.09137	37.9
285.09433	1.2
286.10556	0.5
294.07590	0.7
296.05609	0.8
310.07037	2.4
312.08664	5.2
319.70996	0.4
328.08347	0.8
330.09656	10.2
331.09955	0.4
333.09711	0.4
338.06638	0.7
356.07599	20.7
357.08112	0.6
357.42703	0.4
374.08707	100.0
374.13925	13.1
375.08917	3.4
394.31235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61184	2.8
53.03930	3.6
55.01855	7.7
55.05506	18.4
57.03420	7.7
59.04978	8.3
61.02926	6.3
61.52861	3.1
65.03926	4.9
67.05492	31.4
69.03433	27.2
69.07066	24.1
70.06590	22.3
70.78367	4.5
70.78714	8.6
71.04972	13.8
72.08132	11.9
79.05486	9.9
81.03410	11.4
81.07049	32.0
82.06555	4.0
83.04971	64.4
84.04494	10.9
84.08133	19.2
85.02895	56.4
85.06526	7.5
86.09698	72.9
89.03912	4.5
91.05441	22.7
92.05765	4.4
93.07036	25.0
95.04945	22.6
95.08590	25.9
97.02869	16.8
97.06528	9.9
99.04438	7.8
99.08075	5.6
103.05466	6.5
105.03367	15.5
105.07018	18.6
107.04961	7.1
107.08586	21.1
108.04453	5.7
109.02863	9.5
109.06483	13.8
109.10143	41.5
111.08071	5.2
113.05937	3.3
116.07104	6.5
117.03352	14.5
117.04097	3.0
117.06998	6.7
119.04906	12.7
119.08579	33.8
120.08064	5.8
121.06484	12.4
121.10122	10.6
122.03596	7.8
123.04453	4.9
123.08038	8.0
123.11687	6.0
124.07576	8.4
125.05976	7.3
125.09614	7.9
126.05503	4.2
127.03900	12.6
129.06586	4.6
129.10181	8.4
131.04878	7.5
131.08626	3.5
132.10175	10.3
133.02827	5.0
133.06377	6.1
133.10104	38.7
135.04393	7.1
135.11705	19.4
137.04941	6.6
137.05963	98.4
137.09592	100.0
138.06296	18.9
139.06491	11.5
143.11784	8.1
145.02832	15.4
145.04967	8.0
145.06401	3.8
145.10158	4.4
146.06047	5.2
147.04410	14.8
147.11630	5.8
149.05928	15.3
149.09590	6.7
149.13197	4.6
151.03903	21.8
151.07523	8.6
151.11203	7.3
153.05475	8.3
153.12753	4.1
155.10669	18.9
157.13362	4.6
158.03612	5.9
159.11642	5.1
161.05997	10.1
162.06743	8.8
163.07486	4.3
165.05484	12.6
167.07042	14.2
168.06569	5.7
170.05717	10.6
171.11307	11.0
173.05975	10.1
175.03868	4.4
175.07567	8.5
175.14809	50.3
177.05441	37.9
178.06009	3.6
179.07104	16.3
180.07716	8.4
181.05009	4.5
193.15869	63.0
195.06476	7.6
201.05424	42.1
203.13991	8.3
204.06317	4.0
211.09547	7.9
211.15179	4.3
211.16962	4.4
212.12801	9.4
219.06419	7.2
221.05916	5.4
235.07529	4.2
237.09190	3.8
241.93924	4.0
242.14980	4.1
253.08501	6.9
263.07083	4.1
265.08600	6.8
270.15045	4.3
270.69434	3.5
276.16418	3.6
285.11060	3.5
291.15494	3.7
293.07990	7.2
295.09454	4.0
311.09393	4.0
323.09274	5.7
325.10605	12.2
341.10120	13.0
355.12106	8.3
373.09439	7.0
373.13568	17.1
373.18286	60.4
373.22928	4.3
373.27975	4.0
399.04575	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
56.96548	1.5
57.03406	1.6
69.03403	2.4
69.94378	6.4
70.06549	1.6
71.37550	1.3
72.08103	1.7
73.04725	1.9
78.04662	1.6
79.05480	9.9
81.03394	5.7
85.02884	3.6
91.05764	10.0
92.05741	1.5
93.05445	2.4
95.04949	3.4
97.02872	2.9
103.05458	16.3
105.07015	7.3
106.04214	1.2
107.04937	100.0
108.05279	2.1
113.48496	1.2
115.05435	5.4
116.07056	1.4
117.07015	2.3
120.05687	4.4
122.03632	2.0
123.04402	4.3
124.05180	1.2
127.03917	1.9
131.04892	9.0
133.06458	2.4
135.04364	1.5
135.08026	28.8
137.05968	18.4
145.02879	1.6
145.07602	2.5
154.06264	2.9
163.07518	96.4
164.07903	1.8
167.07018	52.4
177.05432	3.5
180.07831	1.8
181.08522	1.7
193.08574	2.1
195.10129	49.4
201.05487	1.9
211.14326	2.0
213.11206	3.5
226.08411	1.9
231.49918	1.2
242.09875	1.8
270.97443	1.9
285.00784	2.1
287.00662	4.0
353.52872	1.3
357.06796	3.2
373.09128	3.3
373.14816	6.5
374.14401	6.0
392.20435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.7
55.05494	17.4
57.03432	25.2
59.04995	4.3
67.05499	88.7
68.90388	3.1
69.03416	54.5
69.07067	4.0
71.04974	10.0
71.58957	6.5
77.96902	3.1
79.05481	10.0
79.56591	3.0
81.03407	50.1
81.07071	16.7
83.04958	19.9
83.08608	6.6
85.02896	15.7
85.99628	3.0
89.99798	3.6
91.05518	4.4
93.07043	7.9
95.08571	6.7
97.02867	24.8
97.10172	8.3
99.04445	11.7
107.08609	3.7
109.02866	16.4
109.10143	75.4
111.04420	7.2
119.08556	10.8
125.09596	6.2
127.03905	17.9
129.05450	4.4
133.10100	5.0
137.09590	4.3
139.25589	3.2
145.04939	6.9
155.10641	8.6
173.11739	45.9
189.11176	6.9
229.14261	8.6
292.29916	3.7
299.14850	11.3
373.18484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1274
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01873	3.0
55.05509	2.9
57.03426	2.5
59.06117	3.0
67.05488	4.0
70.66827	4.5
73.77538	1.7
79.05473	5.0
81.03420	2.8
81.07043	8.1
89.03866	2.2
90.35049	1.8
91.05470	12.7
94.04171	4.8
95.04961	4.3
95.08599	3.3
96.73212	1.7
97.02894	6.2
97.06529	12.6
98.20753	1.9
103.05472	3.0
105.07018	6.9
107.04955	4.5
107.08591	2.6
109.06514	2.9
115.05423	4.3
117.03378	4.4
119.04928	7.4
119.08589	4.7
121.06457	2.3
121.10100	4.9
122.03623	10.3
123.04395	2.5
127.03859	2.5
131.04900	5.2
135.04422	3.8
137.05960	100.0
138.06314	3.2
145.02870	3.5
145.06483	6.2
147.04414	8.6
147.11621	3.7
150.06715	2.8
153.05511	4.1
158.03607	4.6
160.05177	4.0
161.05975	6.6
163.07503	3.3
165.12816	2.7
167.06989	3.8
173.05949	18.7
175.03839	3.4
175.07504	5.7
177.05443	6.2
177.07001	2.3
186.03123	3.1
189.06999	2.0
191.06987	2.3
195.07939	1.9
199.07545	2.0
201.05437	46.8
203.07079	5.9
205.06473	6.0
206.07231	2.2
207.06390	9.8
213.05597	2.0
219.06502	7.5
221.05893	3.4
222.06683	3.4
231.06503	8.0
233.05934	5.9
234.06720	6.5
237.09074	3.4
239.06931	2.1
249.05432	2.9
249.09245	2.3
250.06386	4.2
251.06979	2.8
262.06091	4.1
264.07852	2.5
265.08575	8.5
277.08472	4.0
278.05817	3.1
279.06271	2.6
283.09442	4.0
293.07993	6.2
295.09412	2.5
297.11099	3.2
305.08182	4.5
307.09766	9.7
307.12723	2.1
307.31644	2.1
309.11063	5.2
310.08411	2.9
311.09100	2.6
311.12634	2.2
313.11407	3.6
322.08221	3.7
323.09055	4.9
325.10599	16.4
337.10767	8.8
337.14163	2.1
343.11673	3.9
355.11649	8.4
355.15579	4.0
373.13287	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	372.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96616	1.1
64.25414	1.3
68.82514	1.3
69.03429	1.3
70.06589	3.7
71.67544	1.2
74.00629	1.9
79.05478	1.5
84.04483	2.4
84.08129	2.9
85.02894	2.3
86.09702	1.6
88.03996	1.7
91.05426	20.3
93.07036	1.8
94.04180	3.3
97.02876	2.3
98.21481	3.0
102.01357	1.4
103.05463	6.7
105.07022	2.0
107.04934	10.0
109.92213	1.5
115.05399	1.7
117.03358	3.3
119.04929	26.6
120.08134	1.5
121.02875	1.6
126.01349	2.2
127.03892	2.9
129.10234	1.7
131.01401	1.2
131.04903	8.9
133.06488	2.2
135.02625	10.5
135.04393	9.9
145.02824	24.9
147.02638	2.9
147.04398	55.1
148.04762	1.6
149.00584	1.8
153.00014	7.8
154.00818	68.0
155.01103	2.2
159.02605	3.2
159.04388	12.4
160.05127	2.3
161.06004	6.6
163.02142	12.0
163.03897	24.8
165.00043	5.8
167.01558	9.7
170.09666	3.1
171.01147	4.1
173.02316	35.1
175.02141	5.8
175.03906	24.0
176.04367	1.6
177.05470	10.5
179.01535	1.5
180.02348	14.0
187.02115	7.7
187.03778	3.0
188.61494	1.3
189.36839	1.3
191.01613	45.0
191.03391	100.0
192.02032	2.6
192.03656	2.8
193.03204	7.4
193.04893	2.3
198.09145	8.7
201.01778	7.6
203.01648	4.7
203.03349	2.3
204.99545	1.7
205.05016	5.9
209.02626	13.0
219.01060	15.7
219.02914	37.8
221.02646	4.4
221.04495	2.6
221.99738	3.0
229.24191	1.7
231.01094	2.5
232.03720	1.6
237.02129	31.5
237.04384	2.6
243.11481	1.5
247.00528	13.8
249.03918	2.0
250.04707	2.2
251.00110	1.8
254.13939	3.2
259.00562	19.7
260.01001	2.9
265.01614	56.6
266.01807	2.1
273.02319	2.1
283.02664	49.1
284.02957	2.7
291.03149	10.1
305.60202	1.5
309.04053	2.9
337.03714	24.4
354.06534	7.1
355.04767	43.3
356.05368	2.1
372.07465	15.9
372.20712	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	372.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91984	0.6
70.06568	1.5
70.95003	1.9
73.04766	0.8
74.00665	5.1
84.04454	0.7
84.08110	1.0
86.09709	1.1
87.42799	0.7
88.03996	3.8
91.05840	3.5
91.23012	0.8
95.04942	1.0
107.04926	0.8
117.03351	0.8
119.04900	0.8
120.01140	3.1
121.01040	0.9
127.03898	1.3
131.04897	1.3
135.02605	2.1
147.04387	3.2
149.00528	1.8
150.01302	0.9
154.00827	0.8
159.04420	1.0
163.02159	0.9
163.03853	1.3
167.01665	0.8
169.03178	1.0
175.03873	1.1
177.00150	0.7
178.00816	38.9
179.01410	1.1
187.02110	3.0
189.00096	3.6
191.01625	1.8
191.03316	1.4
193.03177	90.2
194.00325	5.3
194.03517	2.4
207.01102	1.0
211.04156	1.7
221.02660	7.0
221.99786	60.8
223.00165	1.8
230.02573	1.1
231.01218	0.9
237.02136	100.0
238.02493	3.1
239.03708	3.6
249.02115	1.5
250.03041	0.8
262.05328	2.9
265.01645	18.1
265.05008	1.3
283.02707	9.4
285.00729	0.9
286.00934	1.2
290.04752	1.5
291.03122	0.8
308.05872	2.1
326.06979	5.6
337.03711	9.4
341.96515	0.8
354.06430	4.8
355.04669	7.8
356.07248	1.1
372.07446	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	372.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93507	0.9
68.39209	0.6
68.99760	0.9
71.59343	0.7
81.03395	0.8
97.02903	1.2
105.03351	0.6
107.01279	1.1
107.04937	1.1
108.02080	0.9
108.92815	0.6
123.04402	1.4
126.03122	0.7
133.02893	0.9
134.03522	1.0
135.04388	0.7
137.02298	1.3
139.03880	1.0
146.05981	1.1
147.04364	1.9
149.02312	1.2
151.03824	1.8
153.01819	20.0
153.05357	0.6
154.02115	0.7
158.05977	0.6
159.06749	0.6
160.05167	0.9
160.07518	0.8
161.05882	1.6
161.08139	0.6
162.05460	1.1
163.03909	2.9
163.06276	0.9
164.04645	2.2
167.07129	0.9
169.06480	1.3
169.25734	0.6
170.02063	2.3
172.07576	0.6
173.04607	1.0
174.05507	0.7
175.06317	0.7
176.07135	0.8
177.05383	1.8
178.06323	3.3
179.03360	0.8
181.04962	0.8
184.05031	0.6
186.05411	1.1
187.03786	0.9
187.06230	1.0
188.07037	1.5
189.07695	0.7
190.04961	2.7
191.03384	0.9
191.05493	0.7
191.07004	3.3
192.06389	1.0
197.05975	1.1
200.04645	1.4
201.05440	1.2
203.03362	2.3
203.05455	0.8
204.06230	0.7
205.04950	1.0
205.07291	2.8
206.08131	1.2
208.09850	0.6
213.05441	1.5
215.03300	0.9
215.06917	0.9
216.02756	6.8
217.04831	1.4
218.04373	0.6
218.08081	1.2
220.09630	6.4
221.05840	0.7
223.02303	1.3
224.06998	1.1
227.03378	3.4
227.05318	1.1
228.04102	3.7
228.06284	1.5
229.04915	2.2
231.02827	4.4
231.05251	3.8
237.05429	0.9
237.07742	0.8
240.04048	1.0
241.04939	4.8
242.05586	1.2
242.08025	1.6
243.02907	3.8
243.06439	2.3
244.03607	2.4
245.07977	1.1
246.07579	6.8
247.07802	0.6
249.05446	0.8
251.05702	1.1
252.04079	1.2
252.06541	1.5
252.50171	0.6
253.04955	1.6
254.04460	1.6
255.02945	6.1
256.03485	1.6
256.06015	0.7
259.05905	0.9
265.04993	0.8
266.08151	1.3
267.06329	1.9
268.03540	1.1
268.06152	2.6
268.97311	1.1
269.04343	5.2
269.06894	1.5
270.05081	1.8
270.07626	1.1
271.02493	3.9
271.05878	4.0
272.05545	1.5
273.03943	1.1
273.07349	0.8
274.96280	0.9
280.06055	3.3
281.04147	1.1
281.06992	1.7
282.04221	2.3
282.07776	0.8
283.02277	3.6
283.05084	2.2
284.03024	3.1
284.06134	1.2
284.09229	2.3
285.03958	1.7
285.07391	0.8
286.04471	1.6
286.07098	2.4
287.05374	3.8
294.07489	1.8
295.05893	3.1
296.05643	5.4
296.08926	1.5
297.03720	16.6
297.06512	3.6
298.04547	6.3
298.07391	1.1
299.02032	1.2
299.05341	7.0
299.08911	1.2
300.02307	1.4
300.05368	1.4
300.08914	0.7
301.03394	3.0
301.06985	5.8
307.04791	0.8
308.05527	2.4
309.03677	1.1
310.03485	4.8
310.07010	1.3
311.05206	2.3
312.05789	1.0
312.08627	6.8
312.11469	1.5
313.06961	20.1
313.51608	1.0
314.06885	7.4
315.04501	7.0
315.07727	2.5
316.05511	2.9
320.50092	1.3
322.07117	1.1
323.05435	2.1
324.04913	2.1
325.03256	3.1
325.05978	3.1
326.06650	2.0
327.04172	1.4
327.08533	4.4
327.51294	3.1
328.01266	5.6
328.08142	1.9
328.51422	1.2
329.06482	7.7
329.09927	2.4
330.06464	1.2
330.10223	3.6
331.07999	4.7
334.00098	2.7
334.49710	5.8
334.99725	1.7
339.04495	0.9
340.08328	19.1
341.01675	0.8
341.08652	1.2
341.12143	0.9
341.51102	4.4
342.00998	11.2
342.06119	13.3
342.10117	1.5
342.51187	3.1
343.07318	0.9
344.08374	2.6
344.11444	4.0
344.96674	1.1
345.09531	4.4
349.02325	2.0
349.52155	4.3
350.02405	1.2
354.09686	1.9
355.07980	10.1
355.11414	0.7
356.07803	1.5
356.53317	11.0
357.03339	24.3
357.08261	3.2
357.53430	6.0
358.03369	0.8
359.99170	1.2
364.04422	13.4
364.54471	32.9
365.04633	8.0
371.55652	4.2
372.05774	7.5
372.10715	100.0
372.55716	2.8
373.11182	5.0
377.04880	0.7
377.54520	2.3
384.55533	1.2
386.97934	2.4
392.56885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	57.6
57.07071	100.0
61.56820	10.6
67.05492	48.4
69.07059	69.6
69.97229	9.8
70.70964	25.7
70.71317	14.7
71.08627	80.1
79.05476	16.7
81.07057	56.5
83.08624	69.3
85.10162	42.0
93.07027	41.8
95.08593	47.6
95.99127	9.9
97.06484	18.7
97.10166	59.0
107.08584	17.1
109.10130	28.7
111.08109	18.6
111.11691	21.3
111.52158	12.0
115.07503	13.8
120.26181	10.1
121.10115	32.7
135.11690	30.5
137.13283	13.4
139.11169	23.9
147.06512	10.3
149.13239	35.4
163.14853	18.1
177.16443	13.8
178.03497	10.6
191.17784	9.8
221.31728	10.3
303.30511	35.3
305.73187	10.2
321.31534	36.9
361.51132	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	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	1.0
55.01846	1.5
55.05492	2.5
57.03446	1.1
57.07072	1.5
59.04985	0.8
67.05484	2.5
69.03420	13.7
69.07054	3.1
70.76652	2.3
71.04958	1.1
79.05471	3.0
81.03426	1.0
81.07034	4.6
83.04965	9.0
83.08591	1.3
85.02901	5.3
85.06528	2.7
89.06026	1.0
91.05454	3.0
93.07038	4.0
95.04951	1.2
95.08590	7.1
97.02856	2.3
97.06509	1.7
99.04457	0.8
99.08078	1.4
105.07030	3.8
107.04932	0.9
107.08569	13.5
109.06506	6.5
109.10115	2.3
111.08077	8.0
119.08564	4.1
119.56776	0.7
121.10120	9.5
123.08045	3.7
123.11686	1.8
125.09609	23.2
127.03909	3.7
131.08542	6.6
133.08601	0.9
133.10123	8.0
135.08028	18.9
135.11679	4.2
137.05923	2.0
137.09615	0.8
143.08507	1.3
144.09178	0.7
145.02797	0.9
145.10049	4.3
147.11650	3.5
149.09579	13.5
149.13222	3.5
150.10347	2.1
151.11133	1.8
153.09076	7.8
154.35443	0.8
156.05586	0.7
158.10887	4.7
161.09618	1.9
163.11169	7.3
163.14816	4.1
165.12701	1.9
167.06897	0.8
167.10658	1.0
173.13242	21.9
176.11935	2.7
177.05373	1.2
177.08827	0.7
178.05714	0.7
191.14276	100.0
192.14632	3.9
209.15331	95.9
210.15639	2.9
221.15269	1.1
282.86298	0.8
317.17249	1.0
353.15607	0.8
353.19534	4.1
371.20587	19.3
372.20978	0.8
390.05130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	0.8
55.05486	1.1
56.24268	0.4
57.03420	0.6
65.03883	0.5
67.05497	1.0
69.03409	2.1
69.07063	0.7
70.04769	2.9
70.06567	1.6
72.08127	0.8
73.04714	1.2
75.40893	0.5
79.05489	5.3
81.03432	1.2
81.04521	2.2
81.07065	2.6
83.04968	1.2
83.06071	0.6
85.02894	3.0
86.09689	0.8
91.05401	1.9
91.05785	3.8
93.07033	6.2
94.04118	0.5
95.04951	2.6
95.06078	1.3
95.08588	1.1
97.02869	1.4
97.06514	0.9
99.04443	0.6
100.31314	0.5
103.05445	1.2
105.07018	12.2
106.16367	0.5
107.04941	5.7
107.08567	1.2
109.06522	4.3
115.05448	0.7
117.06980	0.6
119.08574	2.7
121.02854	0.7
121.06516	4.0
121.10126	16.6
122.03643	0.6
122.10450	0.6
123.04426	1.0
123.08047	3.5
123.11649	1.2
124.07593	1.1
125.07087	2.4
127.03878	0.7
131.04909	0.6
131.08533	1.6
133.07594	1.0
133.10045	0.5
137.05945	5.9
143.08127	2.3
145.02888	1.0
147.04332	1.2
149.09598	100.0
150.09956	3.6
151.11176	2.8
153.09059	0.5
161.05928	0.7
163.03894	0.9
163.07617	0.6
167.03458	0.5
167.05595	0.5
167.07039	1.6
167.10666	1.0
175.07501	0.5
177.05434	3.2
178.05803	0.5
191.14275	35.9
192.14615	1.9
209.15280	1.4
217.08774	0.6
241.08470	0.7
268.97870	1.1
277.08798	0.6
285.00928	1.2
293.11865	0.7
295.09525	0.6
296.66171	0.6
297.07571	0.6
307.09531	0.8
321.11203	0.9
325.10547	1.0
353.13751	1.0
355.06946	1.2
371.11148	1.2
371.17194	0.9
371.21652	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1848
Annotation	(3R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
53.03929	2.4
54.69682	0.7
57.96848	0.6
62.95626	0.7
67.05490	2.3
68.99778	2.7
69.06696	1.2
69.07060	25.0
70.34013	2.4
77.03911	0.8
79.05032	1.4
79.05483	21.5
81.07049	3.7
91.05436	3.7
93.07027	1.2
94.04185	1.1
95.04946	2.6
105.07021	3.1
107.04940	44.7
107.08566	0.8
109.06548	1.1
119.04903	0.7
121.06499	1.7
122.03608	1.5
123.04423	14.5
124.05206	6.7
125.05994	5.5
125.82776	0.6
133.06465	2.8
135.04405	7.5
137.05968	1.0
139.07549	1.4
145.10107	1.4
147.04333	1.5
149.05965	10.8
152.04646	2.7
153.05466	1.4
161.05962	7.4
167.07019	100.0
168.07407	1.9
173.09618	3.7
181.08501	1.0
191.10648	53.7
192.10970	1.3
193.08566	1.8
198.93460	0.7
217.12242	4.3
301.10733	1.7
315.12201	5.2
341.02988	0.8
371.18427	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	371.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01875	0.7
55.05494	0.8
56.96541	1.4
65.03965	0.6
66.41345	0.6
67.05491	1.4
69.07050	3.8
69.99189	2.9
69.99597	1.4
79.05483	19.9
81.07043	3.4
91.05475	2.6
93.07019	2.5
95.04970	3.5
95.08621	0.7
103.05443	2.6
105.06347	1.3
105.07016	18.0
105.07730	1.0
106.08607	0.6
107.04941	41.3
108.05267	0.8
109.06494	1.7
109.10101	0.7
115.05448	3.7
118.04116	0.9
121.06481	2.5
123.04395	2.6
124.05203	8.0
125.05975	4.1
131.04866	0.8
133.06477	13.9
135.04404	33.2
137.05928	3.1
139.07532	0.7
143.06013	1.0
147.04370	2.2
148.07500	0.9
149.05965	1.5
151.07533	3.1
152.04659	4.9
153.05418	1.5
155.80504	0.8
161.05965	25.2
163.07503	1.7
165.05487	1.2
167.07019	100.0
168.07394	1.3
179.07001	1.7
181.08580	1.7
191.10645	39.4
192.10907	0.8
193.08571	5.6
200.56216	0.8
203.05788	1.0
217.12172	3.0
268.26294	1.3
315.12222	7.8
331.15802	3.0
341.03156	0.9
349.16772	12.5
367.18063	0.7
371.11481	1.5
371.18436	7.6
371.25763	0.8
372.18268	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	371.1121
Annotation	3,3''-Dihydroxyterphenyllin
Peak:m/z	Relative Intensity
50.88053	0.4
55.05516	0.5
57.03413	0.4
60.14482	0.3
67.05491	0.7
69.07074	0.5
69.79129	2.4
79.05463	0.8
81.07033	0.9
89.36694	0.4
95.08593	0.5
97.06523	0.6
104.30772	0.3
105.03381	0.4
105.07020	0.7
107.04901	0.6
107.08581	0.5
109.10159	0.6
119.01357	0.5
119.08587	0.5
123.04437	0.5
137.05956	0.6
139.07544	0.7
141.06937	0.9
152.06224	0.5
153.05441	2.0
153.06888	0.5
156.08253	0.5
163.03862	1.2
165.01828	8.0
165.05524	0.5
165.09061	0.8
167.03426	0.4
167.07016	1.3
169.06438	1.4
169.27814	0.4
177.05441	1.4
178.06252	3.5
179.03415	0.6
181.06441	1.3
183.02916	1.5
191.03365	1.3
191.07176	0.4
197.05966	4.7
203.49420	0.4
205.04948	0.9
209.05972	0.7
211.07481	1.2
213.05473	0.5
225.05443	3.6
229.04918	1.1
235.03784	0.5
237.05421	1.4
239.07036	1.3
240.07809	0.8
242.05681	4.6
243.06421	1.1
251.03648	0.4
251.06874	0.8
253.04903	9.4
254.05620	0.6
256.07166	0.7
257.04471	0.7
257.08112	0.6
266.05707	0.7
267.03894	0.5
267.06412	2.9
268.07257	2.0
269.08075	1.3
270.05222	1.4
271.05945	0.7
272.06851	1.1
277.05002	0.4
279.06619	0.8
281.04395	12.3
282.05133	0.5
283.09558	0.5
285.04510	0.5
285.07452	2.5
293.04471	0.5
295.05942	4.3
296.06744	6.4
298.01031	0.5
298.04279	0.5
299.05496	1.5
300.06271	0.9
307.06070	0.9
309.03909	7.7
309.07462	1.1
310.04620	1.3
310.08078	0.5
311.05710	0.6
311.09100	3.2
312.02814	0.5
312.06287	0.6
313.07025	4.9
314.07501	0.4
323.05463	2.8
324.06262	9.1
325.06958	2.4
326.04184	1.2
327.04965	11.2
328.05734	5.6
339.08606	1.7
341.06516	31.3
342.06934	1.2
343.07620	0.6
345.05978	0.5
355.08038	0.4
356.08862	18.4
356.13300	0.9
357.09470	1.1
371.11200	100.0
372.11548	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	370.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06946	0.5
53.03941	0.7
55.01875	0.8
55.05501	3.5
56.04594	0.5
57.03443	1.0
61.23589	0.5
62.11209	0.5
65.03927	0.9
67.04243	5.7
67.05496	3.5
69.03420	5.3
69.60738	1.2
69.61160	3.1
71.04988	1.7
72.08144	0.7
79.05478	4.5
80.04999	1.7
81.07045	2.6
82.06570	100.0
83.04974	2.5
83.06883	1.1
83.07349	1.7
88.03973	2.6
91.05461	2.2
93.07029	1.8
95.04965	2.8
95.08593	1.0
97.06537	1.6
99.04432	1.5
100.07604	19.9
105.07018	4.5
107.04939	7.3
107.08573	1.1
109.06507	3.2
109.10145	10.9
111.04442	1.2
117.07005	0.8
119.08552	4.7
121.06498	1.1
123.04443	0.9
125.05991	1.0
128.06277	2.4
128.07059	65.2
129.06995	1.3
133.10118	3.9
137.05971	0.9
137.09593	17.2
138.09802	0.7
143.08566	4.4
145.06519	0.7
145.10100	1.6
146.08157	5.4
147.08047	6.0
161.09596	30.9
162.09962	1.6
163.11162	0.6
165.09099	32.3
166.09380	0.9
171.08005	0.8
174.06685	0.7
175.07507	2.7
179.10657	5.4
187.07535	0.8
189.09082	4.2
197.11649	3.0
201.09056	1.0
207.10124	9.0
225.11139	1.5
229.08556	1.8
231.42416	0.6
245.08060	1.0
253.08698	0.6
258.15790	0.6
271.09665	0.8
273.07559	0.7
279.67044	0.5
289.10660	1.5
291.08582	1.6
335.11279	0.7
340.08130	0.6
370.18546	47.8
371.17218	1.7
371.17984	1.6
379.99722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1275
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
55.01861	0.6
58.71308	0.4
78.91365	0.4
79.05476	0.6
81.03407	0.5
89.21691	0.4
98.21466	1.1
107.04992	0.7
128.30528	0.5
129.06950	0.5
131.04955	1.5
137.05971	0.8
148.07556	1.2
153.01788	1.2
161.02313	0.9
161.06035	0.5
163.03894	1.4
167.06970	0.5
169.50362	0.5
173.06023	0.7
175.07516	5.2
177.05499	0.6
178.04936	1.6
178.06270	3.7
187.07516	1.0
188.03430	1.3
195.05200	0.9
199.07526	0.7
201.09036	2.6
211.07574	1.1
213.05435	0.7
217.08598	0.8
224.04660	0.7
225.09132	2.6
227.06996	0.5
229.08624	3.1
237.09277	0.5
238.08493	0.5
241.05084	1.0
241.07256	3.1
242.08055	0.9
243.10249	0.7
245.08080	2.7
252.06609	0.9
253.08682	1.0
254.04292	0.6
255.06636	0.9
256.09525	1.0
263.03412	0.6
263.09082	1.2
266.08014	1.0
268.09662	0.7
269.06921	1.4
271.09644	2.1
273.07727	1.1
280.06015	2.7
281.07800	0.8
282.03964	1.0
284.09171	1.7
287.05420	0.8
289.10693	2.8
291.08630	2.4
294.07706	1.8
295.05936	0.8
296.09247	0.7
297.06433	1.6
299.09158	1.7
309.06424	0.7
309.09650	0.9
310.07324	0.8
310.10684	5.3
312.05600	0.4
312.08615	9.3
313.06937	1.3
315.04987	1.8
317.10144	0.8
322.07220	2.0
323.05292	0.7
324.05222	0.5
324.08789	1.4
325.05710	2.7
325.93884	0.5
326.10178	0.8
330.07309	3.1
335.11258	2.0
338.06772	0.7
338.10352	1.5
339.11069	3.5
340.08109	59.7
341.08591	2.4
343.08130	0.6
343.12073	0.7
353.09943	0.6
354.09753	3.2
355.06247	0.7
355.10458	9.9
359.16608	0.6
370.12842	100.0
371.13354	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58114	2.8
53.03934	7.3
53.06130	3.2
55.01855	12.7
55.05282	3.6
55.05509	44.6
57.03411	12.2
57.07058	8.5
57.19523	3.1
59.04987	3.6
59.82730	4.1
66.56775	3.2
67.05154	5.8
67.05498	83.4
69.03409	8.0
69.07060	38.0
70.52045	6.8
70.52437	7.0
71.04979	6.7
71.08622	50.1
72.12231	3.1
79.05482	56.4
81.03410	16.3
81.06562	4.8
81.07046	72.8
82.64157	3.0
83.04957	11.9
83.08601	18.2
85.06550	4.4
85.10160	4.8
91.05469	50.1
93.06511	5.2
93.07036	62.1
94.04147	3.0
95.04961	26.0
95.08598	37.7
97.06525	16.6
97.10162	20.9
99.08082	42.3
103.05423	3.6
105.07012	40.3
107.04941	13.5
107.08575	30.0
108.92223	2.9
109.06497	26.5
109.10142	30.9
111.08026	5.0
113.09618	8.9
117.06983	14.8
119.04984	6.8
119.08569	20.9
121.06445	4.9
121.10106	21.2
123.08056	8.8
123.11629	3.5
125.09590	19.7
128.06265	4.9
129.06958	9.4
131.04912	7.1
131.08545	14.9
133.06458	4.8
133.10126	26.0
135.07997	5.0
135.11659	13.6
137.05959	18.5
137.09587	3.9
139.07462	3.9
141.06920	3.8
143.08568	7.4
145.06453	12.6
145.10138	16.3
147.04460	4.8
147.07986	4.0
147.11679	18.0
149.09572	5.5
149.13235	10.5
151.07570	5.2
151.11159	64.7
153.05417	4.4
153.08975	3.4
155.07008	6.0
157.10098	6.2
159.04382	6.6
159.08026	7.7
159.11732	6.9
161.05983	5.8
161.09576	3.7
161.13248	20.6
163.11151	19.8
163.14856	6.1
165.09109	7.5
165.12782	17.5
165.80029	3.4
167.07016	100.0
169.10121	3.2
171.08044	9.6
171.10297	3.8
171.11714	7.3
173.05986	5.0
173.11710	23.7
174.06705	5.7
175.03857	9.7
179.08516	3.8
179.14261	11.8
181.08612	4.9
185.06012	6.0
185.13246	4.9
187.07524	11.2
187.11082	7.3
189.09145	30.2
189.10901	18.7
189.12695	6.3
193.08618	24.0
195.13864	3.3
197.09659	4.9
203.10599	3.8
207.06522	13.4
207.13791	7.5
214.75963	3.1
215.10672	50.4
227.12679	18.2
241.19511	7.3
245.13754	15.7
249.22186	3.5
253.17892	15.2
259.20480	11.7
277.21576	72.8
280.63464	3.4
295.22739	30.3
307.13266	3.5
308.47678	3.1
313.10742	3.1
349.75931	3.1
351.12045	3.5
351.25235	37.3
369.09595	5.4
369.17056	57.7
369.23819	7.0
370.17053	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2419
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.32457	5.9
53.03926	9.4
53.22595	5.1
55.01848	7.9
55.05490	21.7
56.17194	6.0
57.07042	9.8
59.34160	6.1
67.05492	38.3
69.07047	27.1
70.86911	12.5
70.87281	11.0
71.04974	8.1
79.05467	34.7
81.07036	40.7
83.04974	6.7
83.08588	24.1
85.06515	12.5
87.66668	6.0
91.05477	56.5
93.07035	62.9
95.04943	24.8
95.08595	80.8
97.06519	12.8
98.94740	5.6
105.07023	75.7
107.04956	7.1
107.08580	67.6
109.06511	14.9
109.10146	50.5
111.08050	33.9
117.06991	18.2
119.07764	7.2
119.08572	100.0
121.06493	8.7
121.10111	59.6
123.08062	14.9
123.11655	14.4
128.06174	8.7
129.06970	14.7
130.07791	8.5
131.08542	60.6
133.06422	6.4
133.10094	71.9
135.08035	33.8
135.11659	26.5
137.05965	81.6
137.09586	17.0
139.07484	9.2
141.06943	8.4
142.07797	14.7
143.08577	42.2
144.09286	10.0
145.06438	9.2
145.10095	65.8
147.08012	25.1
147.11655	18.9
149.09570	29.3
149.13268	9.7
153.06885	6.7
154.07750	6.5
155.08513	12.3
156.09290	14.9
157.10107	53.7
159.07977	16.4
159.11681	39.0
161.09612	17.3
161.13234	11.7
163.07512	14.2
163.11205	10.6
167.07042	8.4
167.08568	14.3
168.09352	9.8
169.10081	21.6
170.10838	12.5
171.11647	40.1
173.09578	14.5
173.13283	35.4
175.11243	9.7
175.14804	41.4
177.09120	9.3
181.10114	16.4
183.11702	42.6
184.12373	7.0
185.13226	16.1
187.11189	10.4
187.14861	39.6
189.09132	9.2
191.14336	9.3
193.10129	7.5
194.10803	7.9
195.11697	15.0
196.12401	8.4
197.13161	24.1
199.11229	7.8
199.14792	17.8
205.15939	7.8
207.11690	12.1
209.13200	30.4
210.13823	8.1
211.11105	21.1
211.14830	10.2
213.12740	10.6
222.13992	7.1
223.14775	10.0
225.12680	7.4
225.16397	15.1
229.12177	8.9
233.15341	16.4
235.14709	11.2
237.16370	12.6
249.16296	11.3
257.15305	13.5
265.19531	9.5
269.15192	10.0
295.16910	11.5
313.06995	7.1
351.23193	28.5
369.24222	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Cortol
Peak:m/z	Relative Intensity
55.05506	24.7
57.03415	5.2
57.07063	10.4
67.05497	31.3
69.03423	6.4
69.07055	30.7
71.08630	25.6
74.51763	4.7
78.48739	4.9
79.05481	33.5
81.07053	46.0
83.08616	11.7
91.05474	20.7
93.07037	33.1
95.04940	17.3
95.08603	34.4
97.06519	9.2
99.08089	17.4
105.07036	32.5
107.08572	23.4
109.06501	35.3
109.10148	18.9
117.06958	8.4
119.08561	27.8
121.06490	19.7
121.10116	17.7
123.08031	7.2
123.11668	8.5
131.08559	16.4
133.06473	7.9
133.10117	12.3
135.03415	5.6
135.08020	12.8
135.11664	6.8
137.05952	6.1
137.09634	8.3
139.11125	5.6
145.10086	17.4
147.08020	5.8
147.11694	8.8
149.09654	9.6
149.13231	10.4
159.11740	7.0
161.13152	6.9
163.11191	8.5
165.12723	66.0
167.07031	24.4
173.13298	9.9
174.06685	6.5
177.12732	14.3
181.15854	9.9
189.09067	8.6
189.12732	5.2
191.14369	9.8
216.70230	5.8
243.20807	6.8
246.66953	9.6
261.22156	29.8
279.23260	6.0
289.21564	94.2
307.22604	26.9
313.07086	12.6
333.24179	37.0
351.25278	100.0
365.43338	5.7
369.00568	6.8
369.17111	6.8
369.24081	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01853	8.1
55.05272	3.0
55.05502	31.9
55.66821	2.2
56.96535	2.3
57.03420	14.3
57.07058	9.1
66.96750	2.5
67.05144	4.6
67.05492	79.5
69.03407	7.5
69.07059	33.5
71.04973	4.4
71.08618	35.2
71.62025	4.4
79.05479	49.9
81.03407	18.4
81.07045	65.3
83.04977	12.0
83.08604	21.2
85.02889	2.8
85.06525	8.1
85.10176	4.6
91.05457	46.1
93.07028	48.8
95.04963	23.2
95.08592	37.6
97.02863	3.0
97.06505	16.9
97.10149	25.4
99.08070	30.8
105.03363	4.1
105.07000	39.7
107.04943	7.2
107.08575	35.3
109.06510	23.0
109.10130	26.1
111.08031	3.6
113.09595	6.2
117.07016	12.3
119.04929	5.8
119.08578	22.5
121.06470	6.8
121.10122	18.6
123.08044	6.1
123.11691	5.4
125.09602	20.9
128.06204	5.6
129.06955	7.1
131.04904	5.8
131.08556	13.3
133.06458	6.9
133.10104	21.1
135.04402	2.7
135.08037	6.0
135.11700	12.9
137.05948	17.7
137.09570	4.9
139.07481	5.4
139.11143	3.5
142.07715	3.0
143.08501	12.3
145.06424	8.8
145.10094	15.9
147.04404	8.2
147.11646	15.8
149.05937	4.1
149.13223	9.5
151.07520	5.0
151.11179	46.7
153.09074	3.3
154.07751	3.3
155.06964	7.9
156.09291	3.4
157.10114	6.5
158.07306	3.2
159.04399	8.8
159.08043	9.2
159.11647	7.1
161.05981	5.0
161.09557	5.8
161.13264	13.3
163.03984	2.4
163.11191	13.4
165.09125	7.4
165.12744	15.3
167.07019	100.0
168.07373	3.2
169.10172	3.5
171.07993	10.3
171.11650	7.7
173.06004	6.7
173.11719	15.0
173.13156	4.7
174.06721	5.0
175.03862	6.7
175.11197	2.8
175.14680	3.1
177.12791	3.2
179.14297	7.6
181.08546	5.4
185.13162	6.4
187.07466	9.0
187.11131	5.4
189.09074	34.9
189.11156	21.5
189.12711	4.8
193.08627	21.8
195.13667	3.4
197.09523	5.0
199.07545	3.2
199.14764	3.7
200.08241	4.0
202.09955	3.7
203.10703	2.6
207.06531	9.7
207.13721	3.4
213.09088	4.3
215.10634	45.4
216.10930	4.9
227.12662	15.9
241.19385	4.7
245.13730	8.9
253.17957	8.5
259.20541	8.8
277.21576	61.3
295.22601	28.1
313.10587	2.6
351.25388	25.4
369.09442	5.4
369.16928	57.7
369.26932	5.0
370.16891	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	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24863	1.7
53.03930	4.6
53.30426	1.7
55.01855	5.5
55.05491	6.6
57.03413	6.0
59.04985	3.2
61.02907	5.7
65.03925	2.4
67.05495	8.7
69.03416	22.0
69.07042	4.7
70.06564	2.0
71.04968	5.1
71.21038	4.4
73.02893	5.2
79.05491	8.4
81.03406	8.3
81.07044	9.3
83.04967	23.4
83.08600	2.4
84.08119	2.3
85.02888	51.9
86.09686	2.1
91.05474	18.1
93.07027	15.6
95.04954	15.7
95.08578	5.5
97.02877	21.4
97.06518	6.1
99.04415	6.5
103.03917	2.2
103.05510	2.2
105.07017	24.1
107.04931	5.3
107.08585	11.7
109.02873	9.0
109.06504	11.0
109.10133	6.9
111.04473	2.9
115.05402	2.6
117.03391	2.4
117.06992	4.8
119.04923	6.6
119.08547	19.8
121.02856	2.0
121.06487	12.1
121.10119	12.6
123.04425	3.7
123.08067	9.4
123.11676	6.9
125.09624	2.2
127.03894	12.7
128.06184	2.5
131.04861	3.4
131.08530	6.8
133.06473	5.4
133.10114	28.6
135.04396	2.5
135.08044	7.2
135.11656	2.4
137.05969	9.0
137.09595	13.1
141.06947	2.3
143.08557	5.8
145.02809	10.3
145.04950	9.9
145.06139	1.6
145.10101	13.4
146.07304	2.5
147.04419	7.3
147.08012	7.0
147.11664	12.2
149.05946	4.3
149.09586	35.7
151.11160	100.0
153.05470	1.8
155.08595	2.1
156.09286	6.3
159.08043	6.9
159.11682	3.7
160.08850	3.9
161.05992	2.5
161.09605	21.1
161.13164	8.9
163.11165	30.1
165.09012	4.2
167.03352	3.4
167.07004	2.7
171.11670	6.8
173.06075	2.0
173.09592	4.0
173.13237	5.0
174.10361	19.8
175.03886	5.9
175.07581	2.9
175.11140	6.0
177.05434	16.0
177.09044	2.1
177.12604	2.6
179.07057	2.2
179.10638	31.6
185.06044	2.1
187.07454	3.0
187.11166	4.1
189.12727	69.1
190.13161	3.0
191.14265	61.6
205.12198	8.2
207.06464	11.5
207.13776	78.9
221.04317	3.9
226.24522	1.9
240.11272	1.9
285.07510	2.3
289.14203	3.1
309.07498	2.0
328.72662	1.9
351.18137	2.0
354.40079	1.8
369.09598	7.5
369.19135	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	369.1692
Annotation	Glyasperin H
Peak:m/z	Relative Intensity
53.03930	2.9
53.79463	0.8
55.01860	3.7
55.05495	3.1
57.03423	1.5
64.58003	0.7
65.03922	1.2
67.05495	4.8
68.99780	5.1
69.03410	4.7
69.07054	6.0
71.58654	1.2
77.03918	1.1
79.05482	34.6
80.05799	1.2
81.03416	1.1
81.07048	7.2
83.04974	1.6
85.06540	0.8
91.05460	13.4
93.07010	6.8
95.04958	6.5
95.08581	4.3
97.02908	1.2
97.06508	20.6
98.06869	2.6
99.16142	0.9
101.74547	1.0
103.05458	3.8
105.03394	1.6
105.07011	33.6
106.04160	0.8
107.04938	62.9
107.08581	1.7
109.06557	0.9
109.10139	2.3
111.08057	1.1
115.05459	6.5
117.06977	3.9
119.04926	7.3
119.08559	6.3
121.02863	2.0
121.06483	2.8
121.10122	9.5
122.03631	2.2
123.04385	2.2
123.08073	1.1
124.05191	10.7
125.05969	7.1
125.09639	0.7
127.03929	1.1
128.06216	5.4
129.07007	3.3
131.04930	3.7
131.08569	3.2
132.05695	0.9
133.06470	26.9
133.10152	6.0
135.08055	1.7
135.11684	1.3
137.02338	2.1
137.05959	3.6
139.07486	1.1
141.06992	2.9
143.05978	1.1
143.08534	8.8
145.06450	6.1
145.10144	2.3
146.07216	4.5
147.04391	9.8
147.08044	3.7
149.05974	1.3
149.09625	1.0
151.03871	0.9
152.04691	5.8
152.05867	1.0
153.01877	1.2
153.05476	1.4
153.07001	1.2
155.08545	1.5
157.06462	1.0
159.04433	1.0
159.08051	1.7
159.11682	1.8
160.05258	1.3
161.05956	37.2
161.09589	11.7
162.06633	1.0
163.03918	1.7
163.07555	1.0
165.06982	1.6
167.07014	100.0
168.07378	2.8
169.06476	1.1
169.10094	0.9
171.07986	8.2
173.05917	4.3
174.06734	15.4
175.03838	7.3
175.04993	0.7
175.07536	2.4
176.57394	1.0
177.05415	1.3
179.08470	1.1
181.06476	3.3
181.10155	1.5
183.08029	2.1
185.05983	2.4
185.09607	1.0
187.07565	2.1
187.11166	1.1
189.09073	85.5
190.09532	3.2
193.08578	14.2
193.10207	1.1
195.08060	1.9
197.05925	2.3
197.09630	1.7
198.06763	1.5
199.07542	4.1
200.08313	1.3
201.09140	2.7
207.06459	15.2
209.09663	2.3
211.07576	1.5
213.05460	1.0
213.09100	1.1
215.07382	0.9
215.10654	7.9
225.09096	2.1
227.07040	2.1
227.10628	4.0
229.06271	1.7
229.08417	1.2
231.02855	1.0
237.09027	1.7
240.11270	1.6
241.04881	1.1
245.08173	1.4
251.10823	1.4
253.04965	0.9
255.06502	1.5
255.10188	2.8
264.98022	0.8
269.11636	1.8
270.05371	1.3
271.06015	1.8
273.07428	2.1
273.10831	1.6
277.12213	1.1
279.13773	1.8
283.05878	1.1
283.09552	1.1
294.98474	1.1
297.14871	1.6
298.04684	11.2
301.06848	1.0
311.52628	0.8
313.06985	28.2
313.10587	2.1
314.07370	2.1
323.12814	2.0
323.16339	1.6
325.10727	1.7
325.14404	1.8
327.08618	3.4
327.12027	0.9
351.12079	2.3
351.15991	1.6
369.09439	3.8
369.13132	13.4
369.17035	61.1
369.24457	2.1
369.29483	2.9
370.13486	1.3
370.17447	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	369.1329
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
64.57062	0.2
70.15693	0.7
95.04870	0.2
106.04115	0.6
134.03621	1.9
141.01715	0.2
151.03842	0.3
165.01875	0.8
175.04004	0.2
183.02774	0.3
185.05833	0.2
186.06645	0.2
213.05373	0.5
214.06157	0.6
216.43474	0.1
219.68079	0.1
225.05455	0.3
228.04034	0.2
230.35378	0.2
241.04907	3.6
242.05695	1.6
253.04900	0.4
269.04425	0.9
270.05203	4.8
281.04346	0.2
285.07693	0.3
295.05978	0.2
297.03891	0.6
298.04681	38.8
299.04974	1.2
313.07013	100.0
314.07358	3.7
321.20505	0.2
355.38434	0.2
362.33221	0.2
369.13303	8.0
370.13568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01863	3.2
55.05503	5.0
56.27139	0.8
56.46690	0.8
57.03415	1.2
57.07056	2.5
60.64598	0.9
65.03931	1.5
67.05492	11.9
68.99780	3.7
69.03414	3.4
69.07064	5.1
71.05000	2.1
77.03941	1.1
78.04710	1.3
79.05478	38.0
81.03408	2.3
81.07047	10.1
83.04986	1.5
83.08607	2.4
85.06517	1.5
91.05471	15.0
93.07029	11.9
95.04958	6.6
95.08598	6.9
97.02856	0.9
97.06527	5.6
97.10166	1.4
99.08089	0.9
103.05443	4.1
104.69446	0.9
105.03379	1.6
105.04551	1.2
105.07014	38.9
105.07726	1.9
106.07362	1.1
107.04938	57.4
107.08563	4.9
108.05282	1.7
109.06506	2.4
109.10130	4.6
111.08044	1.8
112.66091	0.9
115.05448	9.8
117.07040	4.8
118.04139	1.8
119.04926	3.8
119.08551	8.4
121.02733	0.9
121.06499	2.7
121.10133	9.4
122.03692	1.6
123.04440	2.0
123.08057	1.5
124.05199	9.3
125.05991	7.7
125.09605	1.2
128.06207	4.8
129.07018	3.5
131.04886	2.3
131.08545	6.8
133.06467	24.7
133.10110	7.6
135.04381	1.3
135.08040	2.2
137.02318	4.2
137.05977	2.0
137.09666	1.0
141.06952	1.5
143.04945	0.9
143.06026	2.1
143.08531	9.9
145.06488	5.4
145.10101	3.1
146.07219	1.7
147.04384	7.0
147.08035	2.3
147.11613	4.2
148.07552	1.2
149.06038	1.2
149.09615	2.4
149.13264	1.2
150.03201	1.0
151.07526	1.9
152.04678	5.0
153.05492	1.2
153.06915	1.5
155.08609	1.2
156.09354	1.2
157.06441	1.0
157.10179	2.9
159.04381	1.5
159.08031	3.4
159.11700	2.6
160.05202	1.6
161.05959	37.1
161.09587	8.7
162.06308	0.9
163.03915	3.2
163.07503	2.0
165.05473	1.0
167.07014	100.0
168.07391	2.8
169.10030	1.0
171.08002	13.4
171.11591	1.0
173.04607	1.0
173.05937	4.8
173.09589	1.8
173.13231	1.6
174.06740	11.6
175.03879	4.7
175.07472	1.9
175.11134	0.9
176.11934	1.0
177.05475	1.1
178.06236	0.8
180.10840	1.0
181.06505	1.1
181.10173	1.1
185.05922	2.8
187.03893	2.0
187.07594	2.3
187.11153	1.8
189.09079	59.7
189.12712	3.1
190.09462	2.9
193.08569	16.3
193.10204	1.5
199.07489	5.1
200.08211	1.7
201.05589	1.0
201.09102	1.2
201.16428	1.0
203.03317	1.3
205.08522	1.1
207.06467	8.5
213.05382	2.1
215.06996	1.2
215.10657	10.0
231.02837	3.1
239.06894	1.2
245.04485	2.0
253.08423	0.9
257.04340	1.8
271.05991	5.2
277.21497	1.1
285.07602	1.5
300.10065	2.3
313.07095	1.5
313.10675	1.5
325.10712	1.2
325.14127	1.1
330.10196	0.9
335.59137	0.8
337.14584	1.4
339.80362	0.8
351.12286	2.9
351.23135	2.0
369.09445	2.5
369.13147	5.2
369.16992	37.9
369.23801	8.2
370.17334	3.5
379.61200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1692
Annotation	Glyasperin H
Peak:m/z	Relative Intensity
53.03916	3.2
55.01846	3.2
55.05488	2.4
57.03420	1.4
57.07053	1.3
65.03925	1.1
67.05492	5.9
68.66541	0.8
68.99767	3.5
69.03394	2.7
69.07032	2.9
69.31460	7.2
69.31883	1.7
71.08611	1.6
77.03918	0.8
78.04688	1.0
79.05482	38.0
81.03379	2.2
81.07039	6.1
83.04967	1.3
83.08597	1.6
83.29356	0.8
91.05463	10.0
93.07023	5.5
94.04165	1.4
95.04965	6.5
95.08570	3.1
97.06494	2.8
98.20726	1.5
99.08064	0.9
103.05440	3.4
105.03324	1.3
105.04501	1.7
105.05892	0.8
105.07013	35.8
107.04938	61.5
107.08582	1.6
108.05270	2.0
109.06474	3.1
109.10152	1.7
115.05442	7.1
117.06974	2.4
118.04133	1.6
119.04903	2.4
119.08556	5.8
121.06480	2.4
121.10136	7.5
122.03640	1.6
123.04396	1.1
124.05195	12.2
125.05978	6.2
128.06148	4.6
129.07022	1.8
131.04878	3.1
131.08534	3.9
132.05634	1.1
133.06470	25.3
133.10089	3.6
135.08026	1.1
137.02307	2.5
137.05966	7.8
137.09590	1.0
139.07465	1.1
141.06955	0.8
143.06050	1.0
143.08553	7.2
145.02785	0.9
145.06483	5.7
145.10094	2.5
146.07196	1.3
147.04388	9.9
147.08026	6.8
147.11678	1.7
148.05104	0.8
149.05942	1.7
149.09631	1.0
151.03886	1.1
151.11128	1.3
152.04665	5.8
153.05405	1.2
159.08046	1.6
160.05193	1.1
161.05957	31.6
161.09598	7.5
161.13283	0.8
162.06348	0.9
165.09180	1.0
167.07014	100.0
168.07297	3.7
171.08052	11.2
171.11542	0.9
173.05948	4.0
173.09668	1.1
174.06746	8.0
175.03746	1.6
175.07379	1.2
181.06439	0.8
185.05916	1.5
187.03880	1.3
187.07571	2.1
187.11194	2.0
189.09079	70.6
190.09480	2.9
193.08568	14.6
199.07536	3.1
200.08301	1.3
201.05472	1.2
207.06430	4.1
213.05429	1.4
215.10634	9.8
225.05621	0.8
231.02899	0.9
245.04382	1.6
271.05951	4.2
286.04672	1.2
301.07022	2.9
313.06964	3.8
327.12262	1.1
351.12360	3.9
351.15729	0.8
369.13095	4.1
369.17010	32.8
369.24527	2.4
370.17419	2.6
387.56592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
59.56544	1.3
61.37424	1.2
65.34762	1.3
70.12882	3.4
70.13305	4.2
79.11384	1.5
79.32413	1.2
89.03888	9.1
89.57258	1.4
97.02876	2.8
110.89345	1.2
117.03355	25.4
119.04934	2.2
121.02895	1.4
134.03575	3.6
135.04398	2.2
137.05922	1.8
139.03937	2.0
145.02811	54.3
145.19595	1.5
147.04359	1.8
149.05940	10.3
164.59877	1.2
167.07083	2.1
171.44724	1.4
177.05437	100.0
178.05727	2.1
205.08159	1.6
207.06480	1.7
287.09125	1.7
351.08148	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	369.1176
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.32327	1.5
57.82386	1.5
59.36882	1.6
64.06924	1.5
67.35213	1.5
70.77000	6.2
78.04683	1.6
78.57446	1.4
83.04925	1.9
89.03905	9.9
91.05465	1.7
94.74823	1.7
97.06487	2.0
114.04509	1.4
114.05418	1.6
117.03357	31.3
120.85877	1.8
135.04353	2.0
145.02827	65.3
146.03165	3.3
149.05962	13.9
177.05446	100.0
178.05852	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	369.1174
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
56.47616	1.8
62.44715	1.7
69.57255	1.5
70.26364	2.7
70.26717	6.7
88.99463	1.4
89.03916	6.9
90.07378	1.8
91.05467	2.5
101.29131	1.6
117.03371	14.4
119.04881	2.1
137.05917	1.9
145.02831	48.9
146.03162	1.8
147.42906	1.5
149.05948	7.3
177.05449	100.0
178.05879	1.9
178.73808	1.6
207.06447	2.5
250.56898	1.8
272.14905	1.8
297.05606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
51.02354	0.3
53.00290	0.6
53.11520	0.3
55.01835	1.0
55.05484	0.4
59.75293	0.3
67.05462	0.7
68.99753	0.4
69.03429	0.3
69.07024	0.4
70.69388	0.6
78.04652	0.4
79.01842	15.5
79.05451	0.4
80.02167	0.4
81.07018	0.7
89.03881	0.4
91.05404	0.4
92.14906	0.3
93.06982	0.6
95.04905	0.6
97.06514	0.3
103.82629	0.3
105.06976	0.5
117.03333	0.9
123.33647	0.3
128.06175	0.3
129.06960	0.5
131.04903	0.4
133.10052	0.3
134.03613	5.0
136.01497	0.4
137.05919	0.5
137.27121	0.3
141.06944	0.6
145.10013	0.5
147.04358	0.5
149.05850	0.4
151.07506	0.3
152.37634	0.3
154.02515	0.7
155.04831	0.8
157.02829	1.1
157.06453	0.9
165.01836	0.6
167.71814	0.3
169.06393	0.5
171.04456	0.3
171.88821	0.4
172.05089	0.4
175.03905	1.9
183.02824	0.4
183.04343	0.9
185.05978	0.7
186.06699	0.7
187.07448	0.9
197.05928	1.6
199.03882	2.2
200.04665	0.5
211.03911	0.6
213.05396	0.6
214.06168	1.3
215.07040	2.0
225.05449	1.5
228.04037	0.7
229.04755	0.4
229.08594	0.3
239.03314	0.4
241.04785	1.7
242.05713	3.0
243.06508	1.9
253.04924	4.0
254.05775	0.4
261.03903	0.4
269.04578	0.4
270.05194	6.3
271.05829	1.1
281.04391	3.0
283.06000	0.5
285.07565	0.7
289.07043	5.3
289.10178	0.2
290.07401	0.3
297.07379	0.6
298.04681	16.8
299.05115	0.9
300.09900	0.3
313.07010	100.0
314.07385	5.2
339.08505	0.4
354.10861	0.5
369.13281	71.5
370.13654	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	368.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16430	0.8
53.03925	3.0
55.01875	4.4
55.05244	1.1
55.05502	21.7
55.82143	0.8
57.03416	3.6
58.06581	3.9
59.04997	1.5
60.04518	25.3
62.59048	1.0
65.03915	0.8
67.05499	22.2
68.05020	1.7
68.05838	1.2
69.03419	7.0
69.06689	1.4
69.07059	18.9
69.94205	2.9
69.94637	2.8
70.06582	1.7
70.07394	1.2
71.04983	8.6
72.04506	1.5
79.05035	1.7
79.05484	25.6
80.05015	1.9
80.05825	1.9
81.03394	2.0
81.07048	18.4
82.06544	1.5
83.04959	3.6
83.08606	8.9
84.08141	8.1
85.06522	3.8
86.09695	32.1
86.64676	1.0
88.07632	4.1
91.05466	10.9
93.07034	13.2
94.06559	2.6
95.04952	7.8
95.08594	7.5
96.08101	3.2
97.06519	49.1
97.10153	19.7
98.06850	14.7
100.07591	2.6
103.05403	1.0
105.07027	7.4
106.06538	0.9
107.04938	3.8
107.08577	8.5
108.08137	1.9
109.06517	5.3
109.10116	3.5
110.06017	3.1
111.08057	1.2
112.07586	25.2
113.05978	3.2
114.09092	1.7
115.05447	1.1
117.07040	4.8
119.04935	2.7
119.08562	5.2
120.08086	1.6
121.06509	1.7
121.10148	7.3
121.36448	0.9
122.09648	7.6
123.08049	4.4
124.07569	2.1
125.09610	12.8
126.09147	1.2
128.10704	32.8
129.06972	2.3
130.08638	2.7
131.08553	4.1
133.10103	3.4
134.09669	1.0
135.08044	4.3
135.11656	3.5
136.11224	2.0
137.05937	1.4
137.09535	1.0
138.12785	4.3
141.06989	2.2
143.08563	2.0
143.10612	1.0
145.06464	1.8
145.10132	2.9
146.09570	1.3
147.04384	2.1
147.08044	1.2
147.11714	1.5
148.11171	2.2
149.09613	1.3
153.05437	1.4
153.06981	1.5
153.09023	1.0
154.08618	9.6
154.12299	1.0
155.08586	1.3
156.10164	1.0
157.10146	1.3
159.11690	2.9
161.05954	1.2
161.09497	1.6
163.04143	0.9
165.06943	1.0
167.06981	0.9
169.06453	1.3
169.10167	1.4
171.07996	1.0
171.11693	1.2
172.09656	12.1
175.03873	2.8
177.12721	2.2
180.08871	1.1
180.13817	15.4
183.07977	1.1
185.06009	1.1
185.13199	1.4
187.07481	1.0
187.11214	2.6
189.11182	9.6
195.07986	2.2
195.13786	1.2
196.13326	1.2
197.05995	1.4
198.14870	1.0
199.07516	2.6
201.09010	2.0
205.12170	1.4
207.06448	6.3
209.09659	1.2
211.07541	2.0
212.07877	1.7
221.15372	1.7
222.14911	1.5
223.11137	1.8
223.13283	3.5
225.09018	2.4
226.09367	2.6
227.07114	1.6
227.10657	2.6
237.09027	1.4
240.11336	1.2
241.14333	1.5
243.09894	1.1
254.08902	1.2
255.06572	1.0
255.09998	1.4
268.15210	1.0
271.05890	1.4
271.09439	1.9
272.09988	3.5
273.11111	1.7
273.18436	5.2
279.13663	1.1
283.09625	1.5
290.21106	9.1
291.19443	9.3
308.22147	13.7
311.05591	1.1
313.06970	2.6
322.15271	1.4
327.08554	2.9
332.22031	2.5
350.23230	19.3
351.12189	1.4
368.15811	6.1
368.24261	100.0
369.09415	2.5
369.12961	7.8
369.17575	5.6
369.24570	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	367.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56473	4.6
55.05494	20.6
57.07072	8.6
58.59977	4.5
65.03927	5.1
65.08248	4.0
67.05495	67.5
69.03420	10.8
69.07059	33.5
79.05484	44.5
81.07048	66.8
83.04967	6.7
83.08604	14.4
91.05469	68.5
93.07029	91.4
95.04974	41.0
95.08597	63.6
97.06511	15.7
105.07016	100.0
107.08575	68.4
109.06494	16.1
109.10141	47.9
111.08067	4.6
117.07011	26.9
119.04944	5.7
119.08561	85.8
121.06483	12.6
121.07382	5.5
121.10128	42.3
123.08047	7.0
123.11697	12.9
128.06206	13.2
129.06996	17.5
130.07790	7.6
131.08533	59.7
133.10098	62.2
134.10431	5.2
135.08054	16.2
135.11673	18.7
139.11183	5.9
141.06963	13.6
142.07771	21.1
143.08528	40.7
144.09312	14.2
145.10091	61.5
146.07294	8.3
147.08025	11.8
147.11682	21.0
149.09608	20.7
149.13223	6.1
155.08533	15.8
156.09314	12.9
157.10091	60.6
158.10939	5.3
159.08035	7.5
159.11693	38.1
161.09605	44.2
161.13251	9.5
167.08546	5.9
169.10106	15.5
170.10803	5.9
171.11639	31.1
173.09607	6.7
173.13214	33.5
175.11165	9.0
175.14713	21.5
179.08493	11.2
181.10094	12.7
182.10828	7.3
183.11687	17.8
184.12476	7.6
185.13229	18.8
187.14732	10.9
193.10144	8.7
194.10921	9.6
195.11690	10.9
197.13248	22.7
199.14793	15.1
201.12782	4.9
201.16302	5.1
207.11678	5.0
209.13240	17.0
211.14784	15.1
213.16460	7.6
215.17775	5.7
223.14735	9.7
227.14223	18.0
229.55162	5.9
251.17786	4.7
255.17500	7.0
257.19055	6.6
269.19025	5.6
349.25040	6.9
358.58682	4.8
367.07620	10.0
367.11749	8.5
367.26056	15.2
368.13629	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	368.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37456	1.6
52.24836	2.2
55.01870	2.1
55.05509	2.2
57.03431	9.7
57.47511	1.9
57.97905	2.0
67.05490	4.7
69.03424	2.9
69.90254	12.3
70.06593	3.4
79.05476	4.0
81.03400	2.2
83.58955	1.7
84.04469	2.2
85.02881	2.4
85.06527	2.0
91.05482	7.7
91.16956	1.9
95.04951	8.1
97.02837	3.2
97.06518	2.1
103.05537	2.3
105.07024	3.8
113.06005	9.8
117.07106	1.9
119.04972	3.2
123.04446	6.3
129.06966	4.0
131.04866	3.8
131.08521	2.5
133.06519	2.2
135.04416	4.4
137.05995	2.7
138.64078	1.8
141.06976	3.9
143.08524	4.6
145.02831	3.2
145.06432	2.9
147.04399	10.3
148.15797	2.0
149.05966	3.5
153.06979	4.5
157.06512	3.5
159.07936	2.1
160.05209	5.7
161.05959	33.8
163.03870	10.1
163.07559	5.4
167.07083	2.2
167.08577	3.0
169.06441	4.0
171.07994	5.2
173.05971	8.5
174.06731	3.1
175.03897	8.4
175.07578	11.4
176.04701	3.6
177.05467	12.1
177.09081	3.4
177.79016	1.7
181.06470	3.0
183.08022	3.0
185.05882	3.8
186.06750	2.9
187.03897	3.2
187.07535	100.0
188.07930	3.0
189.05405	3.8
189.09097	33.2
191.03375	19.7
191.07051	6.0
193.04967	6.4
195.08041	7.3
198.06726	3.0
199.07527	13.7
201.05380	2.5
201.09108	18.2
203.07066	9.3
203.14230	1.8
205.08580	37.5
207.06392	9.4
213.05420	8.3
213.09006	13.5
214.06064	2.5
215.06961	2.5
215.10657	2.6
217.08578	62.2
217.10568	4.0
219.02884	26.1
219.10136	11.9
221.04414	10.1
222.82236	2.0
223.07536	6.4
225.09103	4.7
226.06104	3.0
227.07037	11.3
227.82286	2.0
228.07726	5.9
231.06480	21.6
231.10229	3.0
233.08150	4.3
235.09659	2.4
240.07660	2.6
241.08554	29.1
242.09171	2.5
243.06709	2.9
243.10167	5.5
245.08076	25.8
255.06575	2.5
258.05301	6.2
259.09647	27.6
261.07599	3.7
261.11166	2.1
263.09250	2.9
269.08063	15.8
271.06165	3.3
277.10641	20.8
284.06284	3.7
287.09109	59.9
305.10178	94.8
306.10452	3.0
315.08575	4.7
323.11255	5.3
333.09668	27.7
338.06631	2.9
351.10800	31.1
358.42816	2.2
368.11310	3.2
368.24362	2.4
369.09601	10.3
369.13647	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	367.2477
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
52.29490	1.0
53.03938	2.7
53.49239	0.9
55.01863	5.9
55.05510	15.8
57.03432	5.0
57.07053	3.2
63.82869	1.1
67.05496	28.7
69.03414	2.6
69.07059	20.3
70.01338	5.3
71.04984	1.9
71.08616	2.7
77.03986	0.9
79.05481	22.1
81.07045	29.6
83.04972	10.0
83.08614	5.6
91.05465	21.7
93.07036	28.1
95.04952	9.0
95.08587	16.7
97.06518	10.6
97.10151	3.3
99.08067	1.5
105.07022	30.3
107.04942	10.1
107.08584	17.1
109.06489	11.3
109.10143	9.0
111.08063	3.0
117.07019	9.0
119.08564	16.9
121.06490	11.0
121.10133	7.7
123.08099	5.0
123.11667	1.6
125.09666	2.0
129.06992	4.6
131.04944	1.3
131.08543	19.7
133.06473	3.9
133.10110	20.0
135.08008	6.5
135.11667	5.8
137.09613	3.3
141.07014	1.6
143.08559	4.1
145.06442	3.7
145.10110	14.9
147.08032	2.8
147.11684	11.2
149.09608	6.2
149.13240	2.8
151.03935	1.3
151.11156	6.4
155.08531	2.4
157.06474	1.1
157.10103	4.5
159.08040	3.2
159.11661	10.5
161.09612	3.7
161.13300	1.7
163.11183	5.6
165.12764	1.8
169.10083	3.0
171.11658	2.6
173.09576	2.3
173.13249	6.9
175.11119	3.1
175.14778	1.2
177.12740	2.6
183.11685	3.7
187.11127	1.5
187.14763	1.9
190.12759	1.0
191.14288	2.3
195.08098	1.3
195.11818	1.0
197.13255	2.4
199.14767	1.4
201.09062	1.3
201.12663	2.5
203.08846	1.1
203.14319	1.2
207.13817	2.5
211.14853	1.8
213.09119	1.7
213.12831	1.3
215.14241	1.0
215.17949	2.4
219.13794	3.3
229.19466	1.3
239.17944	4.2
247.20580	3.7
257.19019	10.9
275.20038	100.0
276.20374	5.0
293.21005	11.3
297.08069	1.0
312.55142	1.0
349.23810	30.3
350.23914	2.3
367.07736	2.4
367.11588	2.1
367.15274	3.5
367.25211	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	367.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38110	2.2
52.57019	2.4
53.03933	5.5
53.11011	2.5
55.01870	3.2
55.05499	17.9
57.03410	4.7
57.07071	12.4
59.04968	2.4
61.95629	2.6
63.27955	2.1
65.03916	3.6
67.05492	42.9
69.03400	10.4
69.07050	19.7
71.04993	5.8
77.03929	2.7
79.05484	39.0
81.07040	54.7
83.04977	5.1
83.08599	10.3
83.76659	2.6
85.06530	5.8
91.05470	59.3
93.06429	4.2
93.07026	86.8
95.04951	38.8
95.08589	57.9
97.06517	11.8
98.21464	4.7
103.05447	3.4
105.04515	2.8
105.07011	96.4
107.08575	69.8
109.06490	13.0
109.10133	38.6
111.08041	4.2
115.05409	9.0
116.06220	3.6
117.06994	24.8
119.08560	100.0
121.06460	11.2
121.10118	48.9
123.08042	7.4
123.11680	18.0
128.06194	15.7
129.06989	20.0
130.07756	10.5
131.08549	62.5
133.06430	2.8
133.10104	62.5
135.08014	14.0
135.11673	20.3
136.72453	2.5
137.09589	4.5
141.06931	11.7
141.16145	2.2
142.07753	22.3
143.08549	43.3
144.09370	11.2
145.10098	73.3
146.07249	6.8
146.10513	3.5
147.08006	12.0
147.11682	24.4
149.09590	17.9
149.13173	4.6
152.06314	2.9
153.06995	3.3
154.07703	3.3
155.08577	14.4
155.09686	2.1
156.09315	15.8
157.10098	53.3
158.10872	7.4
159.07997	8.2
159.11684	36.6
161.09598	39.9
161.13213	7.7
163.11119	6.1
163.14799	3.5
167.08528	8.5
168.09288	3.3
169.10068	21.7
170.10843	8.6
171.11638	30.5
172.12360	4.5
173.09587	6.3
173.13232	28.4
175.11201	6.1
175.14757	18.3
177.12857	2.3
179.08521	10.0
181.10139	11.0
182.10872	5.9
183.11624	21.5
185.13184	16.7
187.11160	3.2
187.14787	19.4
193.10069	6.1
194.10861	10.3
195.11676	15.5
196.12416	5.5
197.09586	3.2
197.13223	19.4
198.13898	4.3
199.14751	16.9
201.12706	5.0
201.16368	6.3
207.11668	6.5
208.12411	3.2
208.40683	2.4
209.13216	25.6
211.14758	9.6
213.12772	4.4
213.16287	3.4
220.12480	2.6
221.13226	5.5
222.13788	3.0
223.14804	5.2
225.12764	4.3
225.16339	7.4
227.14316	16.9
229.16035	3.2
239.17882	8.1
253.19601	3.4
255.17416	5.2
257.19037	4.8
265.19559	6.5
267.17404	3.3
269.18991	5.4
283.20428	2.7
293.18985	2.5
341.69528	2.6
349.25140	7.5
367.11646	3.7
367.26398	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	367.2475
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
53.03923	4.0
55.01858	7.3
55.05505	26.2
57.03425	12.6
57.07073	2.2
59.05010	3.2
61.02915	1.8
67.05495	34.2
69.03400	5.2
69.07062	38.1
71.04985	4.5
71.08628	24.6
71.60664	3.2
72.08899	2.0
79.05486	28.8
81.03410	2.9
81.07046	34.9
83.04958	8.4
83.08620	9.7
85.06505	2.3
91.05462	23.8
92.46017	1.9
92.93224	1.9
93.07035	27.7
95.04946	11.6
95.08585	22.5
97.06522	16.2
97.10150	8.6
99.08074	17.1
105.07025	21.7
107.04937	5.7
107.08582	17.0
109.06498	7.3
109.10146	14.5
111.04469	2.5
111.08056	5.3
117.06983	8.3
119.08562	16.4
121.06477	7.0
121.10115	12.9
123.08054	6.0
123.11676	5.7
125.09602	9.2
126.05096	2.0
129.06990	4.0
131.08549	11.8
133.10143	13.0
135.08046	3.3
135.11694	7.8
137.05862	1.9
137.09547	2.2
139.11133	2.4
142.07802	2.8
143.08510	2.5
145.10127	8.6
147.11647	5.4
149.09596	8.6
149.13315	2.4
151.11159	3.0
157.10094	4.6
159.11668	7.4
161.09654	2.9
161.13254	2.4
163.11147	4.3
165.12689	2.0
167.08519	2.3
167.10680	5.4
169.10069	2.0
171.10208	2.2
171.11656	3.5
173.13255	5.9
175.03773	2.2
176.50494	2.1
177.12743	3.4
183.11757	2.0
185.13197	2.2
187.11194	2.7
189.11200	4.5
191.14371	2.2
203.06979	2.3
211.07535	2.5
216.54669	2.0
219.17413	10.3
222.22160	2.5
223.20470	2.0
240.23134	2.1
243.80151	1.8
247.20720	3.0
251.39464	2.2
257.18869	3.7
265.21823	4.1
275.20020	22.7
293.21072	100.0
294.21481	6.8
349.23947	5.9
350.26764	5.7
367.07672	7.2
367.11627	3.9
367.15506	4.1
367.24979	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23995	1.7
53.03937	5.8
53.27829	1.7
55.01859	19.5
55.05504	32.7
57.03430	18.1
57.07071	2.5
59.16692	1.9
65.03931	2.7
67.05494	77.9
69.03400	5.1
69.07058	36.8
69.81312	12.9
71.04983	5.1
71.08604	2.7
77.03910	2.2
78.37941	1.9
79.05483	57.0
81.03405	5.4
81.07044	100.0
83.04971	10.6
83.08593	15.6
85.06524	5.3
91.05466	46.1
93.07034	45.1
95.04961	14.9
95.08590	46.7
97.05944	3.2
97.06516	29.4
97.10159	12.5
99.08080	3.8
102.20068	1.7
105.07021	47.7
106.07346	2.5
107.04950	13.4
107.08571	40.4
108.08876	2.1
109.06529	11.6
109.10136	24.1
111.08085	6.6
115.05382	2.3
117.07016	14.9
119.08557	38.3
121.06502	4.2
121.10140	21.0
123.08053	8.6
123.11687	10.0
124.92645	1.8
125.09608	11.5
129.06990	5.2
130.03665	1.8
131.08537	17.7
133.06508	2.3
133.10124	31.1
135.08043	9.0
135.11659	12.3
137.09605	6.5
139.11186	2.9
143.08508	4.1
145.06499	2.7
145.10126	20.3
147.04456	1.8
147.08008	2.1
147.11649	23.5
149.09601	21.7
149.13237	8.3
151.11177	4.6
155.08549	3.6
157.10138	5.0
159.08078	2.2
159.11629	14.7
161.09618	2.8
161.13237	4.5
163.11162	8.6
165.06937	2.5
165.12758	7.1
169.10141	4.0
171.10173	5.2
171.11678	5.1
173.11835	2.4
173.13269	8.2
175.11139	2.8
177.12805	3.8
181.10135	2.1
183.08046	2.7
183.11685	4.9
187.11011	2.2
189.11186	7.4
195.08064	2.8
195.11723	2.5
195.13609	2.1
197.09666	2.4
211.07426	3.9
213.05508	2.3
215.18044	2.5
227.12799	5.0
229.19441	4.9
235.16888	2.3
237.12671	2.2
239.17882	5.8
245.13727	2.6
247.20560	7.8
251.20146	2.1
253.18033	3.4
257.19025	9.5
265.21707	3.1
269.17477	2.5
275.20010	70.1
276.20453	3.4
293.20883	8.7
342.02634	2.2
349.23901	21.7
367.11899	10.6
367.15656	3.4
367.24573	26.1
368.12012	2.6
368.24612	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23995	1.7
53.03937	5.8
53.27829	1.7
55.01859	19.5
55.05504	32.7
57.03430	18.1
57.07071	2.5
59.16692	1.9
65.03931	2.7
67.05494	77.9
69.03400	5.1
69.07058	36.8
69.81312	12.9
71.04983	5.1
71.08604	2.7
77.03910	2.2
78.37941	1.9
79.05483	57.0
81.03405	5.4
81.07044	100.0
83.04971	10.6
83.08593	15.6
85.06524	5.3
91.05466	46.1
93.07034	45.1
95.04961	14.9
95.08590	46.7
97.05944	3.2
97.06516	29.4
97.10159	12.5
99.08080	3.8
102.20068	1.7
105.07021	47.7
106.07346	2.5
107.04950	13.4
107.08571	40.4
108.08876	2.1
109.06529	11.6
109.10136	24.1
111.08085	6.6
115.05382	2.3
117.07016	14.9
119.08557	38.3
121.06502	4.2
121.10140	21.0
123.08053	8.6
123.11687	10.0
124.92645	1.8
125.09608	11.5
129.06990	5.2
130.03665	1.8
131.08537	17.7
133.06508	2.3
133.10124	31.1
135.08043	9.0
135.11659	12.3
137.09605	6.5
139.11186	2.9
143.08508	4.1
145.06499	2.7
145.10126	20.3
147.04456	1.8
147.08008	2.1
147.11649	23.5
149.09601	21.7
149.13237	8.3
151.11177	4.6
155.08549	3.6
157.10138	5.0
159.08078	2.2
159.11629	14.7
161.09618	2.8
161.13237	4.5
163.11162	8.6
165.06937	2.5
165.12758	7.1
169.10141	4.0
171.10173	5.2
171.11678	5.1
173.11835	2.4
173.13269	8.2
175.11139	2.8
177.12805	3.8
181.10135	2.1
183.08046	2.7
183.11685	4.9
187.11011	2.2
189.11186	7.4
195.08064	2.8
195.11723	2.5
195.13609	2.1
197.09666	2.4
211.07426	3.9
213.05508	2.3
215.18044	2.5
227.12799	5.0
229.19441	4.9
235.16888	2.3
237.12671	2.2
239.17882	5.8
245.13727	2.6
247.20560	7.8
251.20146	2.1
253.18033	3.4
257.19025	9.5
265.21707	3.1
269.17477	2.5
275.20010	70.1
276.20453	3.4
293.20883	8.7
342.02634	2.2
349.23901	21.7
367.11899	10.6
367.15656	3.4
367.24573	26.1
368.12012	2.6
368.24612	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	5.6
55.05502	4.9
57.03428	3.9
57.07055	0.4
65.03927	0.5
67.05494	12.5
68.99762	0.9
69.03416	2.9
69.07059	11.1
70.07391	0.6
71.04986	0.9
72.04192	0.3
79.05479	19.6
80.05812	0.6
81.03398	1.0
81.07045	13.4
83.04955	1.0
83.08610	2.7
85.02839	0.3
85.06528	1.1
91.05463	7.6
92.05803	0.3
93.07034	7.2
95.04951	3.0
95.08598	5.7
97.02885	1.1
97.06515	100.0
97.10126	2.1
98.06840	3.7
98.21466	0.6
99.08075	0.5
101.05996	0.3
103.05491	0.3
105.04475	0.5
105.07015	6.6
106.25287	0.3
107.04935	2.4
107.08572	5.9
109.06501	1.3
109.10131	3.1
111.08092	0.9
113.05965	0.7
115.05429	0.6
117.06998	2.6
118.47536	0.3
119.04935	0.4
119.08564	5.1
121.06490	1.2
121.10129	2.7
123.04462	0.7
123.08066	0.9
123.11671	1.4
125.09604	2.2
128.06215	1.1
129.06953	2.5
131.08528	3.6
133.06535	0.4
133.10118	4.1
135.08032	0.9
135.11670	1.3
137.05960	0.5
137.09587	0.8
141.07007	1.2
142.07820	0.5
143.08533	1.5
144.05724	0.3
145.06461	1.7
145.10106	2.8
147.04430	0.4
147.07994	0.5
147.11684	2.7
148.12015	0.3
149.09599	3.4
149.13246	0.6
151.07481	0.4
151.11134	0.5
152.06221	0.5
153.01804	0.3
153.06966	1.2
154.07690	0.5
155.08553	1.9
157.06461	1.1
157.10103	1.3
159.08038	0.8
159.11705	2.1
161.06032	0.3
161.09564	0.5
161.13274	0.7
163.11143	1.3
163.14633	0.4
165.06944	2.2
165.12753	0.6
166.07718	1.0
167.07246	0.4
167.08502	1.9
168.05679	0.8
169.06465	1.4
169.10121	1.3
170.07175	0.3
171.08020	1.4
171.10222	0.7
171.11618	0.7
173.05948	0.7
173.09569	0.6
173.13258	1.1
175.03944	0.5
178.07771	0.9
179.08516	3.8
180.09021	0.4
181.06453	1.9
181.10117	1.4
182.07242	1.0
183.08020	2.7
183.11571	0.5
185.06010	0.9
185.09654	0.9
185.13313	0.4
187.07530	1.1
187.14743	0.6
189.11212	1.3
191.08565	0.7
192.05611	0.4
193.06493	0.6
193.10117	1.0
194.07275	0.8
195.08031	3.9
195.11617	1.6
196.08524	0.4
197.05923	1.6
197.09607	3.1
197.13301	0.9
198.06728	0.7
199.07518	1.0
199.11203	0.9
201.09085	4.6
201.12854	0.4
202.09477	0.4
203.03471	0.4
205.06496	0.5
207.08044	3.6
208.08746	1.0
209.06071	0.7
209.09540	2.5
210.06702	2.1
211.07501	10.0
211.10963	0.6
212.08072	0.9
213.05461	0.8
213.08981	0.9
214.06236	0.5
221.06073	0.4
221.09590	2.4
222.09944	0.4
223.07544	2.8
223.11047	2.0
224.08240	1.2
224.10576	0.4
225.05740	0.5
225.09062	13.4
225.12671	0.7
226.09497	1.5
227.07034	1.6
227.10718	0.7
227.12701	0.5
229.19490	0.6
233.09567	0.6
235.07539	1.3
235.11186	0.7
237.09102	1.1
237.12685	1.0
239.07019	0.7
239.10712	1.0
239.17786	0.7
241.08536	2.5
242.05623	0.4
242.09415	0.6
243.10173	1.4
245.13872	0.5
247.20439	0.9
249.09119	1.0
249.12874	0.7
251.07133	0.4
251.10670	0.6
251.14201	0.6
251.19949	0.5
252.86867	0.4
253.08551	6.2
254.09050	0.6
255.06628	0.6
255.13786	1.5
257.18961	1.3
263.07257	0.4
263.10678	0.5
265.08527	0.5
267.10144	5.5
268.10422	0.6
269.08096	3.2
269.17520	0.5
270.08755	1.2
271.09619	9.0
272.09860	0.8
273.14944	0.6
275.06989	0.4
275.20035	7.6
277.09128	0.3
277.12317	1.3
279.10300	0.6
279.13794	1.7
279.16553	0.3
280.14310	0.4
281.08060	2.8
283.09616	0.4
293.11774	0.6
293.15182	0.5
293.21225	0.4
295.13257	1.4
297.14798	6.2
298.15079	0.6
303.13654	0.6
305.11688	0.6
307.09738	0.8
307.13190	6.1
307.16577	0.5
308.13745	1.0
321.14844	6.4
322.15262	1.1
323.09106	0.4
323.12680	6.2
323.16107	0.5
324.13141	0.8
325.10559	0.4
325.14285	1.1
335.09091	0.6
339.15829	2.5
339.23184	0.5
349.14404	2.7
349.23657	1.8
350.14774	0.4
367.07813	0.8
367.11560	2.5
367.15427	23.9
367.22037	6.4
368.11667	0.6
368.15594	3.7
368.22815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1171
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
50.03876	0.3
55.05495	0.6
57.03422	0.3
57.07069	0.3
67.05483	1.2
69.07053	0.8
69.83419	0.2
70.56768	0.3
70.57111	1.0
79.05482	0.7
81.07043	1.4
88.79050	0.3
91.05447	0.9
92.91286	0.3
92.99758	0.4
93.00709	0.3
93.07029	0.8
95.04930	0.4
95.08588	0.8
97.06491	0.4
97.97270	0.3
105.07014	1.0
107.04945	0.7
107.08592	0.5
109.06547	0.4
109.10171	0.6
111.08056	0.3
119.08553	0.9
121.10107	0.4
123.08018	0.6
123.11662	0.3
131.08504	0.4
133.10088	0.3
134.03600	0.9
135.11668	0.4
137.06070	0.3
147.11729	0.4
153.06937	0.3
165.05513	0.4
172.05167	0.4
175.03880	0.5
176.01041	0.4
177.01790	0.6
179.14278	0.7
181.06468	0.3
187.12784	0.3
194.02087	0.6
197.06120	0.3
201.05394	1.0
203.03354	1.2
218.05713	0.5
219.06477	0.4
221.04311	1.5
223.07581	0.3
226.06105	0.5
235.07564	0.3
236.06804	1.0
238.55397	0.3
239.06931	0.4
240.83301	0.3
241.04816	0.5
253.04871	0.9
253.08618	0.7
254.05569	0.4
261.09109	0.5
263.06958	0.5
265.04926	0.8
265.08444	0.3
267.06638	1.7
269.04227	0.3
270.05313	0.6
275.20026	0.5
277.08603	0.9
279.10025	0.4
281.04724	0.6
281.07974	3.3
282.05194	1.2
282.08414	0.6
283.05673	0.5
285.07343	0.4
289.08588	0.5
291.06525	0.6
292.07111	0.4
293.04370	0.4
295.05960	1.7
295.09634	1.0
296.06546	0.7
296.09967	0.5
297.04465	0.3
297.07507	1.7
298.04706	7.5
298.07797	0.4
301.07010	0.6
306.08820	0.6
307.09579	0.7
309.04050	0.6
309.07477	5.1
310.04681	2.1
310.08243	0.7
311.05518	0.5
311.09119	0.6
313.07001	10.1
314.07233	0.9
317.07996	0.9
319.05951	0.3
321.07581	0.4
321.11115	0.4
322.04605	0.5
323.05374	0.9
323.08917	0.6
324.06165	1.1
324.09756	0.5
325.07001	4.0
325.10718	1.3
331.26245	0.9
333.07532	0.7
334.08273	3.0
335.09058	1.1
337.06989	9.6
338.07767	2.6
339.08575	1.4
339.12286	0.7
349.10596	3.6
349.27277	1.7
351.08551	2.0
352.09348	12.8
353.09604	0.9
367.11710	100.0
368.12015	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	367.1533
Annotation	Pongamone A
Peak:m/z	Relative Intensity
50.71189	0.3
53.03932	1.2
55.01858	2.4
55.05499	3.2
57.03426	0.8
67.05496	4.5
68.74043	0.3
68.99767	0.7
69.03410	1.1
69.07056	3.5
70.33150	1.3
70.33509	0.6
71.04962	0.4
71.08614	1.6
77.03898	0.4
79.05479	18.3
80.05006	0.4
81.03405	0.9
81.07045	6.8
83.04963	2.5
83.08591	1.4
85.06544	0.5
91.05465	8.1
93.07029	2.8
95.04955	4.2
95.08594	3.0
97.06517	5.0
97.10174	0.9
99.08062	1.2
103.05444	0.9
105.03368	0.5
105.04497	0.6
105.07009	5.0
107.04938	38.3
107.08566	1.9
109.06502	0.9
109.10139	1.6
111.04431	0.6
111.08052	0.8
115.05413	2.0
116.06239	1.1
117.07002	2.8
119.04875	0.4
119.08551	2.3
121.06483	1.3
121.10124	1.7
122.03647	0.6
123.04389	0.7
123.08016	0.7
123.11697	0.4
124.05192	5.7
125.05962	3.8
125.09589	0.6
128.06215	1.1
129.06972	3.3
131.04921	1.2
131.08534	2.3
133.06477	1.5
133.10139	2.0
134.03584	0.6
135.08026	0.6
135.11678	1.0
137.05893	0.7
138.03137	0.4
139.07497	0.8
141.06987	1.1
142.07765	2.4
143.08519	1.5
144.05661	1.7
145.06474	1.1
145.10092	1.4
147.04390	0.7
147.07983	0.4
147.11671	1.4
148.07565	0.5
149.05951	0.7
149.09583	1.2
149.13237	0.5
151.11142	0.7
152.04660	3.0
153.05490	1.8
153.06831	0.4
155.07089	0.4
155.08478	0.6
157.06438	1.0
157.10088	1.9
159.04367	2.0
159.08020	3.9
159.11658	0.8
161.05922	2.7
161.09578	0.6
161.13274	0.7
163.11211	0.5
165.06898	0.6
167.07022	37.5
168.07372	0.6
169.06485	0.9
170.07266	1.4
171.04387	1.2
171.08011	0.9
171.11682	0.5
172.05153	1.0
173.05972	4.5
173.13237	0.7
175.07567	0.5
175.14806	0.7
177.12720	0.7
179.14252	0.4
179.55125	0.4
185.06004	2.7
185.09604	3.6
187.07515	27.9
187.14758	0.4
188.08292	8.6
189.11107	0.6
193.08597	1.2
195.08058	0.4
197.05962	0.9
198.06731	4.4
199.07501	8.9
199.09308	0.6
200.08176	0.5
201.09131	1.1
211.07458	0.4
213.09068	16.7
225.09029	0.5
229.19569	0.4
235.07487	0.4
257.19016	0.5
275.19992	3.6
291.10095	0.5
293.21072	4.9
303.10150	0.4
307.13242	0.5
307.24573	0.4
309.10992	0.6
319.09583	0.5
320.10248	0.6
320.57736	0.3
321.11194	0.5
321.14706	0.7
322.08167	0.7
335.12738	1.1
337.10657	1.4
339.16034	0.5
349.14352	1.0
349.23651	1.2
352.13058	1.1
367.15353	100.0
368.15677	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	367.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45092	0.6
57.89205	0.6
71.46010	0.5
71.65938	0.6
72.80499	0.5
84.98551	0.6
88.14716	0.5
91.53620	0.5
103.52173	0.6
150.20419	0.6
178.54582	0.6
191.88338	0.6
202.56900	0.5
216.04240	0.7
272.76624	0.6
282.06406	0.6
283.85556	0.6
315.05103	0.8
337.03183	0.8
352.05414	1.6
367.07828	100.0
368.08246	3.6
385.09116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1168
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03940	0.7
55.01856	2.3
55.05492	0.8
56.05025	0.9
57.03427	31.8
59.04974	0.6
67.05503	3.1
68.99775	1.2
69.03421	1.3
69.07052	5.9
71.62167	0.4
79.01834	1.0
79.05476	8.3
81.03403	0.8
81.07040	2.0
85.06515	0.7
91.05475	2.0
93.07029	1.3
95.04948	1.7
95.08577	1.1
97.02880	2.2
97.06512	59.9
98.06873	0.7
98.24416	0.4
103.05472	0.6
105.07015	1.7
107.01335	1.9
107.08571	1.0
109.06523	0.5
109.10123	0.7
109.49269	0.4
112.01585	0.6
115.05389	1.9
117.07011	1.0
119.08570	0.7
123.04417	0.8
123.07964	0.4
125.02327	1.3
128.06183	1.1
129.06953	2.5
129.84862	0.4
131.04898	0.6
131.08524	1.2
133.10150	0.9
135.04471	0.3
137.02405	0.4
137.09625	0.5
139.03888	0.6
141.06955	5.2
142.04158	0.7
142.07736	0.8
143.08496	1.1
145.06392	0.5
145.10092	0.7
147.04352	0.6
152.06203	1.6
153.01797	42.1
153.06947	4.2
154.02153	0.9
154.07799	1.0
155.08525	13.9
156.08833	0.5
157.06511	0.6
157.10023	0.5
158.07178	0.5
159.07999	0.5
163.03917	0.5
165.06961	3.9
166.07768	1.5
167.08534	1.5
168.05664	0.5
169.04990	0.7
169.06451	1.8
169.10152	0.6
170.07231	1.4
171.08029	1.2
173.06076	0.5
173.09625	0.6
176.06020	0.4
177.06915	0.5
178.02531	0.5
178.07805	1.2
179.03368	0.7
179.08549	3.0
180.05663	0.6
180.09195	0.5
181.06433	5.8
181.10107	1.5
182.07193	1.4
183.08023	10.3
185.06010	0.7
185.09595	1.1
187.07462	0.9
189.06970	0.8
190.07733	1.9
191.08488	1.7
192.09383	0.5
193.06473	1.7
193.10045	1.2
194.07225	1.4
195.08034	2.7
196.08765	0.5
197.05898	2.1
197.09615	2.1
198.06696	2.1
199.07523	1.3
199.11234	0.4
200.08273	0.5
201.09131	3.9
202.07846	0.5
203.08551	1.0
204.09207	0.4
205.06535	1.8
205.10170	1.8
207.08014	3.1
208.05107	0.7
208.08771	1.0
209.05966	1.2
209.09579	4.0
210.06863	1.8
211.07500	5.5
212.08127	0.9
213.05478	0.8
213.08965	0.8
215.08578	2.1
215.10579	10.5
218.07256	2.7
219.08025	3.4
220.08659	0.5
221.06033	2.0
221.09543	2.4
222.06705	0.4
223.07471	2.5
223.11142	1.0
224.08293	0.7
225.05614	0.4
225.09032	8.4
227.06982	1.3
227.10638	0.9
232.08693	0.7
233.05870	1.0
233.09563	5.3
235.07477	1.6
236.08249	1.7
237.05505	0.6
237.09018	2.2
239.07063	2.2
239.10635	0.9
241.08502	1.9
243.08032	1.7
243.10269	0.6
246.06783	0.6
247.07596	1.7
249.05397	0.7
249.09056	0.9
249.12746	0.6
250.06224	4.6
251.07004	1.7
251.10570	0.8
253.05089	0.3
253.05946	0.5
253.08531	5.1
255.06462	3.8
257.05841	0.4
261.09042	6.5
262.09637	0.8
263.06992	3.2
263.09732	0.5
264.07755	4.5
265.04831	0.4
265.08539	2.9
266.05719	2.6
267.06461	5.1
267.10101	3.9
268.07053	0.6
269.08044	3.5
269.10638	0.5
270.08835	0.6
271.07227	0.6
271.09698	5.6
274.06207	0.8
275.06970	0.9
277.04910	0.8
277.08624	0.6
277.12125	0.6
278.05698	11.1
278.08881	0.8
279.06436	4.0
279.10089	6.9
279.13431	0.9
280.07217	0.7
280.10535	0.5
281.08072	3.7
282.08618	0.4
283.09598	15.0
284.09869	0.9
289.08548	5.3
290.08963	0.7
291.06415	2.0
291.09979	1.0
292.07242	5.6
293.07983	4.6
294.08646	0.9
295.06018	1.1
295.09570	1.7
295.13174	1.1
296.06778	0.5
297.08005	0.5
297.11157	2.0
297.14801	3.9
305.07880	0.6
306.08774	0.5
307.09637	28.8
307.13162	3.9
308.10077	2.2
308.13416	0.4
309.07529	12.5
309.10794	0.5
310.07849	1.1
311.08963	1.2
317.07980	1.6
319.05972	0.5
320.06598	1.3
321.14688	3.5
323.05316	0.5
323.09030	0.9
323.12662	4.7
323.16162	0.7
325.10413	0.4
334.08231	0.7
335.09070	22.3
336.09500	1.9
339.08136	0.9
339.12228	17.1
339.15833	1.8
340.12448	0.9
349.10541	0.8
349.14383	1.2
352.09283	1.8
367.11633	100.0
367.15405	9.7
368.12006	6.7
368.16080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83953	0.1
70.01258	0.2
70.01675	0.3
80.65867	0.1
80.95482	0.1
82.99860	0.2
84.65916	0.1
98.21387	0.1
101.00870	0.5
104.24065	0.1
116.98627	0.2
119.01898	7.4
120.02023	0.2
122.97783	0.2
124.02462	0.1
134.99847	0.5
137.02939	3.7
140.98834	0.2
142.03439	0.2
153.00899	0.6
158.99823	0.7
165.99687	0.3
175.02957	0.2
177.00920	19.1
178.01019	1.3
179.00899	0.2
182.99731	0.5
192.98886	0.1
193.04044	0.5
195.02000	0.6
199.02931	0.1
200.02507	0.4
201.00925	0.9
217.04053	3.1
218.03920	0.2
219.01968	26.3
220.02075	1.5
220.04088	0.1
221.02025	0.3
225.00780	2.4
227.99605	0.2
232.94997	0.2
234.99963	0.4
236.00098	0.5
236.99702	0.3
237.99916	0.1
242.03627	0.9
243.01939	5.7
244.02263	0.2
253.01067	0.2
254.01068	0.1
255.00981	0.2
256.95053	0.3
258.99960	0.8
260.00082	0.9
260.04752	0.1
261.03009	100.0
262.00290	0.2
262.03146	5.7
263.03250	0.6
266.03531	0.5
275.04520	0.3
277.00943	1.0
278.01117	1.4
279.00854	0.8
280.00894	0.4
282.99951	0.9
284.00076	1.8
284.04611	5.9
284.99734	0.6
285.04819	0.6
292.99719	0.1
294.99008	0.1
301.00949	2.3
302.01120	4.4
303.00830	1.6
304.00995	0.3
307.06192	0.2
320.02393	0.2
324.93945	0.2
325.01181	0.2
326.01047	0.3
342.01959	0.1
342.95120	0.5
343.01923	1.2
344.02225	2.0
345.01956	0.2
360.99536	0.2
361.03445	0.2
362.03177	0.4
367.01981	0.7
385.03140	4.6
386.03152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
50.20951	0.1
53.03947	0.2
56.05009	0.3
56.96544	0.8
57.03435	0.7
58.06592	7.5
61.02918	1.0
64.36448	0.1
69.03423	2.8
70.06563	0.4
71.00980	0.3
71.01331	0.2
71.04967	0.2
72.08132	0.3
73.02912	0.9
73.05281	1.3
74.06051	0.2
75.04456	0.2
81.03409	0.7
82.06567	0.2
82.20655	0.1
83.04933	0.1
84.08113	0.5
85.02406	0.1
85.02891	3.2
87.04462	1.0
88.07617	9.5
91.03922	0.2
97.02876	1.8
97.06516	0.2
98.97601	0.6
99.04424	0.3
100.07591	0.1
101.00839	0.3
101.02359	0.3
102.05525	8.7
109.02894	0.3
110.97553	0.2
113.05994	0.2
114.09110	0.7
115.03932	0.3
116.98587	0.4
119.01897	0.6
120.02030	0.2
121.01624	0.3
123.05460	0.2
127.03904	0.8
127.04762	0.1
128.98553	0.2
130.08624	0.1
131.00145	0.2
131.01866	0.3
132.10175	3.7
133.03403	0.2
137.02969	0.1
140.02130	0.1
140.10747	0.2
142.08627	0.2
143.00116	0.2
143.01888	0.2
144.10199	0.2
145.03427	0.4
145.04906	0.2
146.03485	0.2
146.99614	0.2
147.03236	0.1
149.01154	0.2
156.01974	0.2
157.03377	0.2
158.03528	0.2
158.11725	1.0
158.99603	0.2
161.01236	0.2
161.02907	0.4
162.03111	0.3
163.02747	0.3
163.04282	0.1
170.11708	0.2
170.99655	0.2
173.02858	0.3
174.03139	0.3
177.00729	0.1
177.05969	0.1
185.02887	0.4
186.03052	0.2
186.11211	0.4
187.04477	0.2
189.00763	0.2
201.00725	0.2
203.03970	0.2
204.12279	97.4
205.12614	2.8
217.05539	0.3
219.01833	0.2
221.05042	0.2
235.06606	0.2
237.02832	0.4
238.03108	0.2
238.71100	0.2
245.05014	0.3
246.05309	0.3
251.04314	0.6
252.04715	0.3
253.07753	0.3
255.07185	0.2
269.05328	0.2
277.07611	0.4
305.07376	0.2
306.11060	0.2
306.15454	0.2
307.08749	0.2
325.08038	0.2
349.04501	0.2
366.17526	100.0
367.10022	1.5
367.17801	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	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38610	2.4
55.05505	2.6
60.04501	5.0
64.11987	2.2
67.05499	12.8
69.03436	2.7
69.07046	5.4
71.04982	21.3
79.05505	5.3
81.07038	8.7
85.02888	4.9
85.06526	37.2
86.09700	3.0
89.05183	2.3
91.05449	12.3
93.07040	4.2
95.04953	3.6
95.08603	2.6
105.06992	12.4
107.08578	11.3
109.10126	18.2
109.62131	2.7
110.22883	2.6
123.11783	2.1
123.61260	2.3
133.10115	44.1
143.08540	2.4
151.11166	39.0
157.55292	2.7
169.12206	37.4
169.13564	3.1
187.07660	2.4
187.11594	5.1
187.13272	100.0
187.14915	5.5
191.87408	2.3
193.49287	2.3
239.07069	3.4
366.22876	6.0
366.28351	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	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
57.03418	3.2
58.54865	2.1
60.04498	5.5
67.05198	1.6
67.05501	14.1
69.40353	22.5
70.06569	3.2
71.04984	27.8
72.02529	2.0
79.05473	6.9
81.03419	2.2
81.07040	13.2
85.02875	5.6
85.06533	33.5
91.05474	15.7
93.07013	6.6
95.08591	3.2
97.06469	2.7
98.20654	3.5
105.07013	11.4
107.08579	16.4
109.06453	2.6
109.10153	20.6
123.11665	4.3
131.08496	2.3
133.10121	41.0
134.10449	3.5
151.11160	39.9
158.83295	2.3
161.02094	2.2
169.12234	38.8
177.05472	2.9
187.13286	100.0
250.13020	2.2
261.11282	3.2
366.22800	4.8
366.28827	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90839	1.5
57.03429	3.4
59.04969	1.4
61.61897	1.5
62.06079	1.8
69.03421	8.0
70.02950	4.0
70.03770	1.6
70.06567	2.3
71.04977	2.8
71.08611	2.3
71.20710	2.1
71.21054	2.6
72.04509	8.1
79.05489	2.9
81.03401	2.0
81.07042	11.3
83.08616	2.2
85.02871	3.0
86.09679	4.1
90.05547	63.3
93.07030	1.8
97.02866	3.0
98.02395	7.4
99.04441	3.4
99.08070	5.2
103.14426	1.6
107.36421	1.7
109.06496	12.4
110.06111	1.8
110.09698	2.1
116.03448	7.4
116.18157	1.5
117.09052	1.6
118.05209	1.8
120.08064	2.5
127.07561	2.3
131.07373	1.5
133.07596	3.8
138.09096	11.1
145.07623	3.0
147.04401	2.1
147.09134	5.3
151.03862	2.6
156.10291	2.4
157.07646	2.5
161.05846	2.2
161.86043	1.9
163.08624	9.8
175.03865	1.7
175.84328	1.5
177.05421	2.6
189.06815	3.2
198.11214	18.5
204.12338	2.0
207.07643	44.6
208.07954	2.8
216.12286	15.8
232.07150	5.4
233.08072	3.4
234.13345	100.0
235.13799	1.7
250.06181	5.5
251.06879	1.6
262.06241	2.4
263.07004	4.2
277.93552	1.5
278.05731	11.0
279.06442	6.5
279.13388	4.2
281.14993	8.1
289.04883	1.9
293.08054	4.2
297.07614	3.3
306.05203	8.5
307.05972	2.2
318.05264	3.6
321.07532	15.0
323.09006	2.9
323.12381	28.0
324.06140	1.7
334.04807	3.1
339.08432	3.5
349.07034	35.3
352.05777	2.3
353.05661	1.6
366.08051	2.6
366.12888	30.1
366.17401	3.3
367.07816	17.7
367.13474	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	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05500	3.2
57.03418	3.4
59.04993	2.3
64.47900	2.0
65.03915	2.6
69.03410	7.4
69.07032	2.4
70.02929	2.5
70.05713	10.3
70.06573	4.3
71.08596	3.4
72.04496	7.4
72.08124	5.0
73.02916	2.3
79.05475	5.8
81.03439	2.1
81.07047	10.9
83.08608	3.7
84.04505	4.9
84.08123	4.6
85.02888	5.1
86.06046	1.8
86.09674	7.4
87.04465	2.5
90.05541	63.8
91.05437	3.5
93.07014	2.5
97.02888	5.3
98.02386	6.5
98.97486	2.3
99.08070	5.7
103.05440	2.1
105.07002	4.4
107.04923	2.4
109.02860	2.3
109.06505	12.8
115.05397	2.4
116.03432	6.3
116.07065	2.6
117.03372	1.8
117.09078	2.1
119.04913	1.9
125.09621	2.3
127.07504	2.2
131.04916	2.9
133.06483	3.2
133.07503	2.4
137.05971	2.7
138.09149	12.6
139.03764	2.1
140.68341	1.9
145.06514	3.1
147.04378	3.4
147.09137	11.4
151.03879	5.0
153.06952	2.0
156.10257	2.9
157.13327	4.2
159.04384	2.6
159.07925	2.8
161.05928	4.0
163.08640	3.9
167.07014	13.0
169.06287	1.8
175.03847	3.4
177.05446	4.7
185.12782	2.7
185.18388	1.8
187.07498	3.0
192.07805	7.2
193.05002	3.0
193.08661	3.1
198.11200	18.2
201.08968	4.0
204.12334	4.5
205.08313	3.9
207.07643	21.6
211.07619	1.9
211.46159	1.9
215.03281	2.3
216.12233	13.9
229.08521	2.8
231.06552	4.3
233.05888	3.3
233.08051	3.0
234.06776	2.2
234.13341	100.0
235.07629	3.2
235.13701	4.5
236.04457	2.2
250.06096	10.5
251.06931	4.3
257.08301	2.8
262.06339	2.1
263.06949	7.2
264.04437	2.6
274.07819	2.4
278.05667	9.1
279.06512	7.0
281.14984	14.9
293.07990	6.9
297.07571	4.6
306.05194	9.9
307.05832	5.1
308.06628	5.4
309.09647	2.6
311.08878	4.5
318.05313	2.7
321.07510	22.6
323.12320	10.4
324.06305	2.9
334.04633	3.1
339.08554	8.1
348.19229	2.6
349.06970	36.3
350.13058	2.5
352.05969	2.2
366.06995	3.8
366.12729	13.2
367.00653	5.1
367.07434	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	366.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01871	2.1
56.31717	0.3
57.03427	2.9
61.02922	2.6
63.56232	0.3
68.62411	0.4
69.03423	11.2
69.71759	2.6
70.06557	0.9
71.01334	1.3
71.04983	2.6
72.08136	0.5
73.02897	1.3
79.05482	1.1
81.03407	1.9
84.08131	0.5
86.09691	2.2
87.04449	0.5
90.05522	1.3
91.05489	0.8
92.04994	0.4
94.07420	0.4
95.04919	0.6
97.02873	1.0
99.04450	2.4
103.05429	0.4
104.04967	0.6
106.06554	1.9
111.04409	0.4
116.04954	2.6
117.05487	1.2
118.05293	1.7
120.08060	1.2
123.04417	0.5
124.07546	0.5
129.06917	0.4
130.06464	0.4
131.06003	1.2
132.06799	0.5
133.07590	10.2
134.06001	0.9
136.07579	0.4
138.09135	0.5
143.06033	1.8
145.06503	0.6
145.07578	5.0
146.08331	0.8
147.04390	0.7
147.09138	1.3
148.06328	0.4
156.06712	0.4
157.06648	0.3
157.07620	3.4
157.13336	0.4
158.08354	0.4
159.09128	0.6
161.07074	1.5
163.08653	15.9
171.09157	1.4
173.07095	0.7
173.10693	0.6
175.08630	4.6
176.09428	0.6
177.06633	2.4
177.10278	0.7
183.09169	0.9
185.10684	0.6
189.06566	3.8
189.10223	0.6
191.08131	1.2
199.08759	0.4
201.10336	2.0
203.08134	0.8
203.11816	0.6
205.04648	0.4
205.09691	1.2
207.07626	100.0
208.07924	2.9
213.10258	0.8
215.08131	1.1
215.11763	0.9
217.09665	0.6
229.09654	1.2
231.11226	1.4
232.04857	0.6
232.07161	11.6
234.13350	1.0
241.09615	0.6
247.10680	0.4
249.08760	0.6
249.12309	1.4
251.06856	0.4
261.08707	0.4
261.12198	0.7
269.09225	0.5
275.10248	0.5
278.05655	0.5
279.06589	0.6
279.13367	6.7
280.13657	0.5
281.15027	0.8
285.07541	0.5
287.10220	1.5
295.09747	0.4
305.11316	2.8
309.59634	0.3
315.55533	0.4
321.07507	1.2
323.12335	51.4
324.06030	0.4
324.12656	2.0
348.11942	1.6
349.07007	0.9
366.12903	56.6
367.09021	0.7
367.13843	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	366.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01875	1.2
57.03429	3.2
59.04972	0.5
60.04511	2.2
61.02919	2.5
66.24789	0.2
67.05477	0.4
69.03052	0.6
69.03417	9.9
70.06554	0.4
71.01329	1.0
71.04675	0.3
71.04985	3.1
71.63093	0.3
71.63502	0.3
72.08157	0.3
73.02910	1.6
75.04455	0.3
79.05469	0.8
79.95352	0.2
81.03390	1.5
81.07037	0.3
86.09669	0.4
87.04449	0.5
87.97553	0.2
91.05457	0.8
92.04963	0.4
93.07021	0.4
95.04955	0.4
99.04433	2.8
104.04965	0.4
106.06536	2.8
107.34559	0.3
116.04958	2.6
117.05511	1.0
118.05276	2.6
118.06515	0.6
119.08549	0.3
120.08054	0.4
124.07558	0.6
129.06963	0.3
130.06506	0.7
131.06020	2.3
132.06783	0.6
133.07590	9.6
134.05974	1.0
136.07449	0.3
138.05402	0.3
143.06004	1.5
144.04437	0.4
144.06781	0.7
144.08035	0.4
145.07585	14.4
146.08267	0.9
147.04385	0.5
147.09128	1.3
148.06284	0.5
157.07590	2.1
158.04729	0.7
158.08426	0.6
159.09169	0.9
161.06003	0.3
161.07083	2.6
163.08641	14.7
167.07144	0.2
169.07553	0.3
171.05533	1.0
171.09145	1.1
173.07066	1.4
173.10735	0.6
175.08643	4.5
176.09389	0.6
177.06564	2.9
183.09169	1.0
184.09836	0.6
185.10768	0.8
189.06560	7.6
189.10149	0.8
191.08156	1.1
199.08621	0.7
200.09445	1.6
201.10242	2.6
202.10934	0.6
203.08206	0.6
203.11778	0.9
204.12370	0.3
205.09683	0.8
207.07617	100.0
208.07957	3.0
212.09319	0.3
213.10201	0.9
214.06100	1.2
215.08183	0.7
215.11729	1.0
217.09773	0.8
229.09691	1.1
230.10600	0.5
231.11330	1.3
232.07123	13.6
233.07661	0.4
234.08780	0.3
241.09692	0.4
247.75227	0.3
249.12305	0.8
250.06345	0.3
261.08658	0.5
261.12326	1.4
269.09119	0.6
275.10190	0.4
277.11270	0.5
277.49200	0.3
278.05817	0.3
279.13342	6.9
281.14938	0.3
287.10046	1.3
293.08060	0.3
297.07587	0.4
297.42490	0.3
305.11234	2.9
309.09659	0.4
321.07513	0.4
323.12323	54.6
324.12589	2.0
330.26321	0.3
348.11804	5.3
348.27545	0.7
366.12903	57.6
366.28433	1.1
367.09369	0.6
367.13181	1.5
387.66086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.268
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.74076	0.4
53.03926	0.7
55.01855	0.5
55.05500	2.9
56.04875	0.4
57.03422	1.0
57.07060	2.8
67.05494	3.9
69.03415	0.7
69.07053	4.7
71.08620	1.0
71.61960	0.8
79.05482	3.6
81.07039	5.5
83.04965	0.9
83.08596	1.0
85.06516	1.9
91.05482	2.3
93.07026	4.1
95.04961	2.0
95.08592	3.4
97.02865	0.5
97.06486	1.1
97.10176	0.7
105.07007	3.6
107.04916	0.6
107.08581	3.5
109.06495	3.5
109.10129	2.2
111.04440	1.3
111.08084	0.6
113.05987	1.2
117.06995	0.9
119.08559	2.9
121.10122	1.9
121.39481	0.4
123.08049	6.8
124.08808	1.0
125.05966	1.3
125.09653	0.6
125.83212	0.6
129.06898	0.5
131.08539	1.9
133.10112	2.2
135.08031	2.9
135.11678	1.4
137.05948	0.9
137.09599	0.8
137.13284	0.5
139.07491	0.9
143.08559	1.3
145.10081	1.8
145.11102	0.4
145.77870	0.5
147.11681	1.3
149.09567	0.7
151.07495	3.4
152.08287	3.2
153.12692	0.8
157.10121	1.2
159.11728	1.3
161.09598	1.0
164.08250	0.5
165.09097	12.7
165.12688	0.5
166.09735	0.8
171.11633	0.6
173.13293	0.6
175.11139	1.0
177.12730	0.8
179.10625	2.3
181.12346	0.7
185.13078	0.6
186.10464	0.5
191.10732	0.5
193.12096	0.9
195.11728	0.5
195.13797	0.7
208.14600	1.7
219.13733	1.0
221.15327	2.2
223.13184	0.5
235.17020	0.7
249.18521	1.3
273.18649	1.1
291.19537	3.7
302.63779	0.5
305.24643	4.0
319.26312	4.6
347.25757	53.2
348.26160	2.8
365.26843	100.0
366.27106	6.3
380.45905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.39320	0.3
52.06575	0.3
52.44507	0.3
53.03926	0.3
55.01855	0.6
55.05507	1.9
57.03417	0.7
57.07071	2.5
58.31436	0.3
67.05505	3.0
69.03416	0.5
69.07056	2.3
71.61879	0.5
71.62297	0.4
79.05479	2.3
81.07047	3.5
83.04973	0.5
83.08614	0.7
85.06539	2.0
87.66018	0.3
89.92429	0.3
91.05461	2.6
93.07039	3.1
95.04963	2.4
95.08593	2.7
97.06540	0.7
97.10152	0.8
105.07027	3.3
107.08585	3.4
109.06493	2.5
109.10137	1.4
111.08080	0.4
117.07002	0.9
119.08560	4.0
121.06519	0.5
121.10126	1.2
123.08059	3.9
123.11741	0.6
124.08847	1.8
125.05991	0.4
128.06277	0.3
129.07002	0.8
130.07771	0.4
131.08543	1.5
133.10120	1.7
135.08061	1.4
135.11662	0.7
137.05980	0.5
137.09610	1.0
139.07497	0.5
139.11232	0.4
142.07777	1.2
143.08582	2.1
144.09335	0.5
145.10115	2.2
147.08000	0.5
147.11691	1.0
149.09573	0.5
149.13263	0.3
151.07532	3.6
152.08316	5.9
155.08568	1.1
156.09351	0.9
157.10109	2.6
159.08032	0.5
159.11671	1.6
161.09601	0.9
161.13298	0.6
165.09093	8.9
166.09880	0.5
167.08585	0.6
169.10110	1.1
170.10884	0.4
171.11646	1.7
173.09618	0.7
175.11131	0.6
177.09215	0.4
177.12776	0.7
179.08415	0.5
179.10681	1.9
179.58849	0.3
180.09447	0.4
181.10124	0.8
181.12325	0.5
182.10841	0.6
183.11728	1.0
185.13200	2.5
187.11211	0.8
187.14766	0.7
189.12700	0.3
193.10071	0.5
194.11095	0.6
194.12996	4.0
195.11690	1.4
196.12546	0.4
197.13300	1.2
199.14902	0.4
203.29868	0.3
205.10167	0.5
205.15974	0.5
207.11693	1.0
207.13805	1.5
207.59911	0.3
208.12393	0.4
209.13231	1.1
211.14851	0.6
213.12700	0.5
213.44373	0.3
219.11713	0.4
221.13251	1.2
221.15221	0.4
222.14032	0.5
223.14867	1.0
233.13205	0.6
234.13960	0.3
235.14793	0.5
235.17027	0.7
237.16399	0.6
244.60143	0.3
247.14777	0.4
249.16357	0.7
249.18594	0.8
251.17984	0.9
263.17752	0.6
263.20145	2.8
264.18671	0.3
265.16272	0.4
265.19382	0.4
267.17297	0.3
272.27097	0.3
273.18582	0.5
274.83719	0.3
277.15872	0.5
291.19601	1.7
309.18338	0.4
310.93872	0.3
319.26230	1.0
347.25894	17.7
348.26169	1.2
365.26892	100.0
366.27252	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	365.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87232	2.3
53.03938	3.2
55.05502	16.4
56.79582	2.5
57.03430	4.4
57.07065	4.2
59.04982	3.0
65.03941	3.5
67.05499	37.1
69.03411	6.9
69.07056	24.0
69.22900	7.6
69.23319	21.4
71.04990	2.5
73.39297	2.4
79.05488	29.0
81.07050	25.4
83.04962	5.3
83.08598	6.7
85.06528	6.9
91.05472	37.5
93.07040	41.3
95.04964	52.1
95.08594	34.3
97.06525	8.2
97.10169	6.5
105.07025	54.4
105.07733	2.8
107.08575	35.9
109.06519	16.1
109.10155	13.9
115.05477	6.0
117.07011	18.6
119.08563	61.7
120.08823	2.7
121.06492	7.7
121.10124	18.1
123.08062	10.2
123.11740	3.4
125.09631	3.7
128.06195	11.7
129.07010	15.0
130.07784	5.2
131.08560	31.0
133.10117	22.1
135.08008	18.9
135.11705	9.6
137.09550	3.5
141.06976	6.1
142.07764	29.4
143.08557	45.6
144.09381	12.6
145.10104	38.1
147.08057	9.3
147.11699	6.7
151.07552	4.1
153.07030	4.3
154.07780	4.2
155.08553	16.8
156.09311	20.5
157.10115	71.7
158.10840	4.3
159.07930	5.3
159.11678	37.8
161.09599	15.9
161.13275	8.0
163.11115	3.8
165.07037	8.7
167.08580	10.5
168.09366	4.8
169.10107	23.8
170.10918	14.7
171.11681	29.0
172.08720	3.8
172.12346	3.7
173.09633	7.5
173.13254	14.8
175.11320	4.5
179.08578	11.2
180.09373	7.0
180.45888	2.2
181.10051	16.0
182.10896	8.3
183.11671	29.0
184.12398	5.7
185.09660	3.9
185.13235	66.3
185.14796	3.9
186.13661	3.2
187.11165	15.9
187.14804	15.9
189.11250	2.8
189.12785	7.8
191.14325	3.3
192.09349	4.9
193.10094	19.8
194.10902	10.3
195.11691	28.0
196.12419	9.6
197.13252	23.3
198.14052	2.2
199.11194	4.6
199.14893	7.2
201.12666	2.7
203.14375	5.3
205.10182	4.7
205.15860	6.9
206.10849	8.1
207.11671	29.0
208.12457	15.1
209.09842	3.1
209.13235	27.1
211.11246	5.2
211.14662	11.5
213.12798	11.9
215.14287	2.7
218.10875	4.9
219.11577	4.0
220.12509	7.6
221.07027	2.5
221.13226	20.6
222.13925	7.7
223.11244	3.1
223.14828	20.6
224.15460	3.2
225.12724	8.0
225.16394	3.9
227.14284	4.9
231.11699	4.0
232.12379	5.1
233.13208	11.7
234.13911	6.3
235.14804	12.5
236.15584	6.5
237.16292	11.9
238.17154	4.9
241.15952	7.3
243.11624	3.1
245.13376	6.5
246.14063	3.2
247.11067	3.9
247.14813	7.5
248.15547	5.0
249.12645	4.2
249.16428	16.5
250.17079	4.1
251.14336	2.8
251.17944	15.2
253.15947	4.1
255.17424	7.2
259.14850	3.3
261.12860	2.4
261.16470	3.4
263.14276	4.0
263.17896	11.9
265.16019	5.2
265.19485	7.7
267.17432	6.7
269.19080	3.3
273.18668	2.9
274.17059	4.2
277.15976	5.2
277.19244	4.5
279.17551	4.4
281.19189	5.2
282.19882	5.2
287.17596	2.6
289.19531	7.0
291.19913	14.2
299.17957	2.6
303.17172	2.8
306.19659	3.1
307.20465	5.5
309.18484	7.0
314.20145	2.8
319.24200	3.6
329.22641	5.7
332.21338	3.6
337.25485	3.0
347.23648	35.1
348.23727	3.0
365.24750	100.0
366.25275	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
53.64105	1.7
54.05298	1.7
55.01849	2.4
55.05507	12.6
57.03431	2.1
57.07059	5.8
59.04972	2.3
63.25202	1.9
65.03947	2.6
67.05203	2.2
67.05499	29.5
69.03403	5.3
69.07063	15.1
78.35883	1.8
79.05486	21.2
81.07043	22.8
83.04956	3.4
83.08594	6.0
85.06531	4.4
87.79076	2.0
91.05467	29.9
91.05995	3.4
93.07034	31.7
94.07345	3.2
95.04958	44.0
95.08601	35.1
97.06508	6.6
97.10177	2.2
98.21473	5.2
101.49776	1.7
103.05463	2.9
103.30812	2.0
105.07021	38.0
107.04933	1.9
107.08583	28.6
109.06511	13.0
109.10146	20.5
115.05391	2.1
117.06992	13.6
119.08564	36.8
119.09408	1.8
121.06505	4.5
121.10135	13.6
123.08035	5.8
123.11711	3.7
125.09632	4.2
128.06194	8.5
129.07001	12.9
130.07793	3.7
131.08549	25.2
133.10110	22.5
135.08044	11.4
135.11673	10.1
135.38654	1.8
137.09573	3.8
141.06967	6.3
142.07761	14.1
143.08531	27.6
144.09305	8.7
145.10114	27.8
147.08043	6.9
147.11658	8.1
149.09644	3.3
152.71916	2.2
153.06960	5.6
154.07756	2.2
155.08546	12.9
156.09314	15.8
157.10112	37.4
158.10796	4.3
159.08080	6.8
159.11668	36.4
161.09578	7.6
161.13206	7.0
163.11188	2.1
165.07013	7.0
166.07745	3.3
167.08557	9.7
168.09384	4.5
169.10101	24.1
170.10904	10.4
171.11681	23.6
172.08800	3.3
172.12415	3.7
173.09608	7.7
173.13170	10.9
175.11171	5.4
175.24869	1.8
178.07866	2.2
179.08607	10.5
180.09315	6.0
181.10085	11.3
181.97005	1.9
182.10884	8.8
183.11671	25.6
184.12337	5.8
185.09628	2.5
185.13222	19.9
187.11150	16.0
187.14774	16.5
189.12756	4.2
191.08479	2.2
191.14250	3.6
192.09344	6.4
193.10126	18.8
194.10927	12.5
195.11671	29.4
196.12427	8.0
197.13228	19.6
198.13876	3.9
199.11177	3.4
199.14740	6.9
201.12576	2.9
203.05208	1.8
203.08450	1.9
205.10103	3.4
205.15852	7.5
206.10889	8.2
207.11693	21.1
208.12408	9.1
209.13193	23.5
210.13986	3.9
211.11139	4.6
211.14809	9.2
212.15320	2.5
213.12694	13.2
213.16296	3.2
217.10095	3.0
217.15964	3.1
219.11684	7.2
220.12462	6.9
221.13248	16.6
222.13951	6.2
223.11255	2.5
223.14911	19.4
224.15425	2.4
225.12764	4.9
225.16347	4.7
227.14288	3.9
227.17900	2.6
231.11703	3.4
232.12564	4.1
233.13277	7.7
234.13971	7.3
235.14868	10.6
236.15469	5.8
237.16226	10.9
238.17104	4.0
239.17879	4.3
241.15865	4.3
243.11613	3.3
245.13203	3.7
247.14798	7.8
248.15553	5.5
249.16260	17.2
250.16962	3.2
251.17880	11.6
253.15909	3.5
255.17418	6.7
256.18420	3.4
258.13977	2.5
259.14825	3.9
263.14566	2.7
263.17972	11.5
264.18771	3.9
265.15906	4.4
265.19504	4.4
267.17480	5.9
269.19012	7.8
272.15335	2.2
273.16348	4.9
273.18726	3.1
275.17886	3.0
277.15820	3.6
277.19193	2.7
279.17450	2.3
281.18991	5.0
282.19653	4.9
283.20370	2.2
289.19479	4.4
291.19791	11.6
305.19144	2.2
308.22171	2.4
309.18420	3.1
314.20239	2.2
317.19104	2.7
319.24316	2.5
329.22638	3.3
347.23630	35.5
348.23853	2.0
365.10464	3.1
365.24722	100.0
366.25021	8.2
384.05814	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.8
53.03933	3.5
55.01868	5.4
55.05494	21.9
57.03430	3.7
57.07059	6.7
59.04982	5.0
59.16358	3.0
65.03934	4.9
67.05493	37.7
69.03412	11.2
69.07057	35.3
71.60618	4.6
79.05482	32.0
81.03413	3.2
81.07040	38.2
83.04975	7.1
83.08615	10.6
85.06522	7.7
91.05453	39.5
93.06525	3.5
93.07044	44.0
94.07330	3.1
95.04960	53.1
95.08595	30.4
97.06515	10.3
97.10150	6.0
105.07011	55.0
107.04951	8.7
107.08574	38.6
109.06509	16.4
109.10152	21.1
111.08052	3.3
113.05979	5.1
115.05432	6.5
116.06230	3.7
116.29201	2.6
117.06972	14.8
119.05001	2.6
119.08555	47.7
121.06480	5.8
121.10118	36.1
123.08043	10.4
123.11713	6.3
125.09596	7.8
128.06195	9.0
129.06999	15.6
130.07735	5.1
131.08540	28.2
133.06407	3.7
133.10103	23.6
135.08046	13.4
135.11671	10.1
137.09570	4.2
141.06960	4.7
142.07758	15.0
143.08562	25.4
144.09256	4.9
145.10095	31.6
146.13283	3.4
147.08009	13.1
147.11693	9.3
149.09583	5.4
149.13324	3.6
153.06966	6.4
155.08514	13.7
156.09355	11.2
157.10098	31.3
158.10951	4.0
159.08023	5.2
159.11699	19.0
161.09564	8.4
161.13271	4.6
165.07027	9.3
167.08527	8.9
167.10614	5.3
168.09297	10.5
169.10098	18.7
170.10889	6.2
171.11655	29.0
173.09599	8.2
173.13274	19.9
175.11113	6.8
179.08534	16.9
180.09372	6.3
181.10110	13.3
182.10907	7.0
183.08000	4.0
183.11682	26.1
184.12317	5.6
185.09552	4.5
185.13228	12.2
187.14761	5.0
189.12692	3.6
191.14220	3.3
192.09323	5.0
193.10126	18.3
194.10818	8.9
195.08046	4.6
195.11699	25.7
196.12436	9.6
197.13303	19.1
199.11191	5.7
199.14880	11.1
201.12703	6.3
202.94231	3.2
205.10136	6.6
206.10878	8.2
207.11700	22.3
208.12413	8.9
209.13249	21.2
210.13922	4.0
211.14818	8.4
213.12704	5.7
217.15910	6.4
219.11734	4.2
220.12448	5.5
221.13258	20.2
222.13921	5.9
223.11191	4.0
223.14848	10.4
225.12695	7.2
225.16310	6.7
227.14218	4.3
232.12428	5.9
233.13177	9.9
234.13913	6.3
235.14882	11.8
237.16452	8.3
239.14368	4.9
239.18013	3.7
243.11717	6.8
245.13147	4.9
247.14789	9.4
248.15613	3.3
249.16354	11.6
250.13637	3.2
251.14305	5.3
251.17963	4.9
253.16054	3.8
255.17642	3.9
263.17886	11.7
264.18472	3.7
265.15976	10.1
265.19144	3.7
267.17346	8.9
269.18857	5.8
273.16080	6.1
273.18582	10.0
277.15781	4.8
281.18976	10.0
289.19250	4.2
291.17133	10.2
291.20068	19.0
306.23865	3.6
319.24063	4.1
329.22525	7.2
337.25250	7.4
347.23572	26.1
365.10092	5.1
365.24731	100.0
366.24918	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.8
53.03933	3.5
55.01868	5.4
55.05494	21.9
57.03430	3.7
57.07059	6.7
59.04982	5.0
59.16358	3.0
65.03934	4.9
67.05493	37.7
69.03412	11.2
69.07057	35.3
71.60618	4.6
79.05482	32.0
81.03413	3.2
81.07040	38.2
83.04975	7.1
83.08615	10.6
85.06522	7.7
91.05453	39.5
93.06525	3.5
93.07044	44.0
94.07330	3.1
95.04960	53.1
95.08595	30.4
97.06515	10.3
97.10150	6.0
105.07011	55.0
107.04951	8.7
107.08574	38.6
109.06509	16.4
109.10152	21.1
111.08052	3.3
113.05979	5.1
115.05432	6.5
116.06230	3.7
116.29201	2.6
117.06972	14.8
119.05001	2.6
119.08555	47.7
121.06480	5.8
121.10118	36.1
123.08043	10.4
123.11713	6.3
125.09596	7.8
128.06195	9.0
129.06999	15.6
130.07735	5.1
131.08540	28.2
133.06407	3.7
133.10103	23.6
135.08046	13.4
135.11671	10.1
137.09570	4.2
141.06960	4.7
142.07758	15.0
143.08562	25.4
144.09256	4.9
145.10095	31.6
146.13283	3.4
147.08009	13.1
147.11693	9.3
149.09583	5.4
149.13324	3.6
153.06966	6.4
155.08514	13.7
156.09355	11.2
157.10098	31.3
158.10951	4.0
159.08023	5.2
159.11699	19.0
161.09564	8.4
161.13271	4.6
165.07027	9.3
167.08527	8.9
167.10614	5.3
168.09297	10.5
169.10098	18.7
170.10889	6.2
171.11655	29.0
173.09599	8.2
173.13274	19.9
175.11113	6.8
179.08534	16.9
180.09372	6.3
181.10110	13.3
182.10907	7.0
183.08000	4.0
183.11682	26.1
184.12317	5.6
185.09552	4.5
185.13228	12.2
187.14761	5.0
189.12692	3.6
191.14220	3.3
192.09323	5.0
193.10126	18.3
194.10818	8.9
195.08046	4.6
195.11699	25.7
196.12436	9.6
197.13303	19.1
199.11191	5.7
199.14880	11.1
201.12703	6.3
202.94231	3.2
205.10136	6.6
206.10878	8.2
207.11700	22.3
208.12413	8.9
209.13249	21.2
210.13922	4.0
211.14818	8.4
213.12704	5.7
217.15910	6.4
219.11734	4.2
220.12448	5.5
221.13258	20.2
222.13921	5.9
223.11191	4.0
223.14848	10.4
225.12695	7.2
225.16310	6.7
227.14218	4.3
232.12428	5.9
233.13177	9.9
234.13913	6.3
235.14882	11.8
237.16452	8.3
239.14368	4.9
239.18013	3.7
243.11717	6.8
245.13147	4.9
247.14789	9.4
248.15613	3.3
249.16354	11.6
250.13637	3.2
251.14305	5.3
251.17963	4.9
253.16054	3.8
255.17642	3.9
263.17886	11.7
264.18472	3.7
265.15976	10.1
265.19144	3.7
267.17346	8.9
269.18857	5.8
273.16080	6.1
273.18582	10.0
277.15781	4.8
281.18976	10.0
289.19250	4.2
291.17133	10.2
291.20068	19.0
306.23865	3.6
319.24063	4.1
329.22525	7.2
337.25250	7.4
347.23572	26.1
365.10092	5.1
365.24731	100.0
366.24918	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	365.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97139	2.3
52.97673	2.7
53.03940	5.3
55.01850	6.5
55.05502	17.7
57.03426	6.8
57.07054	4.4
59.05000	3.0
65.03927	3.8
67.05496	35.7
69.03416	11.5
69.07052	22.4
71.04985	4.7
79.05486	28.0
80.26152	2.8
81.07040	34.6
83.04952	7.4
83.08596	5.0
83.66699	2.4
84.04513	3.2
85.06538	7.1
91.05466	37.1
93.07032	41.0
95.04957	41.2
95.08601	26.2
97.02841	4.2
97.06486	6.4
97.10152	3.6
102.42200	2.5
103.05437	3.4
105.07011	55.7
107.04942	4.7
107.08585	29.6
109.06479	14.3
109.10146	23.3
111.08096	2.6
113.05998	9.9
115.05437	3.4
117.07023	14.4
119.08567	44.9
121.06496	7.8
121.10143	32.8
123.08058	7.1
123.11673	6.1
125.09627	4.8
128.06181	7.2
129.07014	13.1
131.08545	32.6
133.06538	4.4
133.10136	21.8
135.07993	16.9
135.11624	6.6
137.09650	5.7
141.06979	7.7
142.07753	17.9
143.08542	33.6
144.09337	3.6
145.10117	39.9
147.08047	10.6
147.11655	14.6
149.09578	9.3
149.13173	3.4
155.08517	16.6
156.09337	11.9
157.10106	32.2
158.10873	9.0
159.08028	6.6
159.11632	17.7
161.09608	14.1
161.13290	4.4
163.11169	4.1
165.06989	7.9
167.08540	8.7
167.10693	5.2
168.09334	6.4
169.10152	17.4
170.10794	5.9
171.08051	2.8
171.11707	25.7
172.12245	3.5
173.09627	9.8
173.13220	33.8
174.10225	2.7
175.11201	8.3
175.14807	3.4
177.12769	3.3
179.08557	11.4
180.09286	4.9
181.10097	14.1
182.10928	5.4
183.10088	3.8
183.11664	23.2
184.12302	4.2
185.09625	4.7
185.13144	14.0
187.11177	8.1
187.14784	3.7
189.12674	4.4
191.14238	22.2
192.09325	7.4
193.10074	14.4
194.10904	10.6
195.11671	17.0
196.12373	8.3
197.09576	5.6
197.13272	14.4
199.11156	5.2
199.14825	8.1
201.12758	9.2
204.08727	4.8
206.10899	5.9
207.11714	12.6
208.12355	6.8
209.13255	15.7
210.13994	4.1
211.14801	14.0
213.12674	4.2
216.09436	3.5
216.15149	4.3
217.10094	3.6
217.15967	3.9
219.11694	6.0
220.12357	3.9
221.13185	16.8
222.14044	6.9
223.14862	8.1
224.11922	3.3
225.12694	6.1
225.16380	5.9
227.14301	3.5
231.11624	5.0
233.13242	7.3
234.13927	6.8
235.14832	7.8
236.15454	3.6
237.16440	9.0
239.14339	5.5
241.15771	4.9
245.13216	3.3
247.14790	3.6
248.15692	3.9
249.16362	10.7
251.17932	4.6
253.15970	4.8
255.17426	4.4
257.13211	3.1
258.14127	2.8
263.17926	14.0
264.18518	4.2
265.15872	5.0
265.19537	2.9
267.17355	6.4
269.19104	5.0
273.16119	3.4
273.18683	5.4
275.17972	3.5
277.15750	3.8
281.19000	8.8
282.19702	4.1
291.16843	4.0
291.20114	14.3
296.97479	2.9
297.18546	3.8
309.18338	6.1
319.24271	3.7
329.22653	3.5
337.25098	4.3
347.23672	26.7
348.24020	3.0
365.10611	2.7
365.24710	100.0
366.25043	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	365.231
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03930	1.3
55.01873	6.8
55.05503	13.8
57.03200	1.1
57.03429	12.0
65.03931	1.9
67.05495	29.8
68.50826	1.2
69.03417	3.9
69.07058	8.7
69.29398	13.7
71.04965	2.3
79.05475	24.8
81.03394	4.8
81.07043	31.0
83.04976	5.7
83.05392	1.5
83.08598	5.0
85.02900	1.6
85.06523	7.3
91.05467	27.1
93.07028	21.6
95.04956	16.3
95.08586	14.1
97.02879	3.0
97.06517	5.0
97.10138	2.0
98.20705	1.6
105.07011	22.7
107.04932	6.4
107.08578	17.8
109.06512	11.5
109.10133	13.3
111.04409	3.0
111.08049	3.0
113.05985	16.6
115.05407	1.8
117.06993	6.8
119.08553	9.7
121.06487	5.1
121.10118	8.0
123.04391	1.6
123.08031	3.7
123.11673	3.2
125.05975	1.6
125.09570	1.2
128.06221	2.3
129.06984	4.2
129.50566	1.1
131.08537	11.9
133.06493	4.7
133.10118	17.7
135.08034	11.5
135.11667	6.2
137.09615	1.7
139.07520	1.7
143.08546	4.2
145.06502	1.2
145.10100	6.5
147.08029	4.8
147.11667	3.1
149.09564	7.1
151.11153	11.2
157.10100	3.2
159.08015	2.0
159.11646	3.1
161.09596	4.7
161.13225	2.9
163.11115	1.9
163.67735	1.2
165.09091	1.6
171.11676	3.0
175.11176	1.8
177.09117	2.7
177.12732	2.1
179.10703	2.3
181.06482	1.1
181.10100	1.3
187.11186	1.9
193.94560	1.2
199.11139	1.2
199.14822	2.0
203.14201	1.3
217.15839	2.8
245.18903	3.5
253.14262	6.7
255.17488	1.8
263.20047	2.5
273.18436	18.3
285.10202	1.5
291.19424	12.0
347.21921	3.1
351.13901	1.1
365.22989	100.0
366.23383	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01860	6.9
55.05506	29.6
56.22804	0.6
56.96531	0.7
57.03433	11.9
57.07046	0.7
59.04987	0.9
65.03921	1.3
67.05499	32.2
69.03425	13.9
69.07061	45.4
69.88256	2.1
69.88673	1.5
71.04974	2.9
77.03912	0.7
79.05485	27.8
81.03423	6.4
81.07049	27.0
83.04972	5.7
83.08607	10.1
85.02869	1.2
85.06509	1.9
91.05469	16.7
93.07037	20.1
95.01286	0.7
95.04955	10.1
95.08034	0.8
95.08598	12.2
97.02254	1.0
97.02881	17.8
97.06522	5.4
97.10158	15.6
98.10510	0.7
98.21387	0.7
101.09623	0.7
103.05466	0.7
105.03346	0.7
105.04535	0.6
105.07021	13.4
107.04958	7.3
107.08586	16.3
109.02835	0.9
109.06525	4.2
109.10145	11.4
111.04411	1.2
111.08062	2.3
113.05967	0.9
114.01312	0.5
115.05438	1.3
116.04667	0.6
117.07008	8.2
119.04880	1.4
119.07751	0.9
119.08566	11.9
121.06500	3.5
121.10139	6.2
123.04394	0.9
123.08051	4.7
123.11691	0.8
125.09617	13.8
129.06999	3.1
130.07765	0.6
131.08548	7.1
133.06479	3.1
133.10103	7.0
135.08028	5.4
135.11659	3.7
137.09619	3.9
139.11183	0.6
141.06804	0.6
142.07814	0.7
143.08508	3.1
143.10669	0.7
145.06511	0.8
145.10095	5.2
147.08017	4.9
147.11649	2.7
148.81079	0.5
149.09570	2.3
149.13240	2.4
151.11142	1.6
153.09091	1.5
153.12720	0.6
155.08572	0.7
157.10135	3.3
159.08057	1.1
159.11684	4.1
161.09618	2.5
161.13268	1.2
163.11154	1.7
165.09087	2.3
169.10069	0.8
171.11708	2.0
173.11667	0.9
173.13203	0.7
175.11180	2.9
177.09152	0.9
177.12718	2.6
179.10756	0.8
181.10153	0.8
181.12146	0.7
185.13329	0.9
189.11179	8.0
189.12697	1.0
193.12112	1.1
195.11652	0.7
195.13766	2.4
205.12189	2.9
207.13789	0.7
213.12874	0.6
213.14708	0.7
223.13269	31.7
224.13620	1.1
227.12689	1.5
227.18028	1.3
231.10570	0.5
235.05292	0.5
245.18990	3.1
249.14928	1.4
255.17397	1.5
263.20062	1.7
267.09000	0.9
273.18475	13.5
274.18732	0.9
285.10046	1.3
291.19510	100.0
292.19836	4.1
347.07605	0.6
347.22165	1.4
350.35669	0.6
365.23129	49.6
366.23505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
53.05939	1.0
55.01863	10.0
55.05244	1.5
55.05504	28.2
56.60513	1.0
56.96558	1.4
57.03428	54.4
57.07054	1.8
57.09153	1.1
65.03922	4.6
67.05495	66.3
68.74145	1.2
69.03424	10.8
69.07055	47.9
70.92451	3.6
71.04984	5.7
76.36329	1.1
79.05480	41.9
80.72460	1.1
81.03394	7.7
81.07045	39.2
83.04968	7.0
83.08604	8.9
85.06033	1.9
85.06531	37.0
91.05466	32.2
93.07033	33.0
95.04956	54.0
95.08588	19.1
96.05320	1.5
97.02880	12.4
97.06524	7.1
97.10156	10.6
105.07012	23.5
107.04926	13.1
107.08583	19.3
109.02823	1.5
109.06504	44.3
109.10146	9.8
111.04431	2.6
111.08074	2.8
113.05989	100.0
115.05411	2.6
117.06988	14.7
119.04935	1.8
119.08565	18.9
121.06461	6.1
121.10136	10.1
123.04423	1.2
123.08055	8.1
123.11687	1.9
125.06036	1.5
125.09621	10.1
126.70159	1.2
127.07526	3.2
128.06178	2.0
129.07013	6.0
131.08542	16.7
133.06442	4.2
133.10101	10.7
135.08034	31.2
135.11659	7.0
137.09583	3.8
143.08546	7.2
145.06490	2.7
145.10107	9.7
147.08034	8.0
147.11652	6.9
149.09610	5.8
149.13220	4.2
151.11151	2.1
153.09096	1.6
155.08585	1.6
157.10086	7.5
159.07957	1.5
159.11615	6.9
161.09630	8.1
161.13286	2.0
163.11157	4.9
165.09119	4.4
167.08542	2.1
169.10034	1.6
171.11655	5.2
173.09694	1.5
173.13205	3.5
175.11147	5.9
177.12726	3.4
179.10669	1.6
181.10233	1.3
183.11650	2.4
185.09679	1.5
185.13225	1.2
187.11179	1.9
187.14816	1.5
189.11229	4.1
189.12773	2.1
193.12140	1.7
195.11845	1.5
195.13695	2.1
199.14886	1.6
201.05504	1.2
201.12694	3.2
205.12163	2.7
213.12701	1.7
217.15858	11.7
219.13927	1.4
223.13254	16.9
227.17912	2.0
233.15288	1.5
245.18935	4.5
249.14867	1.4
249.18506	1.2
255.17352	2.9
269.10684	1.9
273.15668	2.2
273.18475	26.1
273.21432	2.1
287.09143	1.9
291.19504	96.3
292.19833	3.4
347.07736	2.9
347.12509	1.1
347.22098	2.7
365.10342	2.5
365.13943	5.5
365.23184	38.8
366.23563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	4.4
55.05499	7.6
57.03428	46.9
57.07059	2.3
62.60736	0.9
64.53923	0.8
65.03922	3.7
67.05493	44.7
67.05854	2.3
69.03405	3.4
69.07056	4.1
69.69669	6.7
71.04982	5.1
79.05481	21.5
81.03407	2.7
81.07044	18.7
83.04960	3.5
83.08610	2.0
85.06527	39.3
85.07047	1.9
91.05470	21.8
93.07025	16.5
95.04952	57.7
95.08581	12.3
97.02879	10.2
97.06525	5.1
98.21480	1.1
103.05459	1.4
105.07014	18.8
107.04932	9.8
107.08578	13.1
109.06503	46.3
109.10145	3.5
111.04408	1.2
111.08073	1.9
113.05991	100.0
115.05413	1.9
117.06989	7.9
119.04929	1.5
119.08560	10.9
121.06490	5.8
121.10146	5.3
123.08050	4.1
125.05990	1.3
128.06183	1.6
129.06985	6.9
131.08542	12.9
133.06442	3.1
133.10114	7.5
135.08031	29.7
135.09074	1.4
135.11707	5.0
137.02376	1.2
137.05969	1.4
137.09608	1.4
141.06958	2.0
142.07758	1.1
143.08537	6.1
145.10091	8.5
147.04340	1.7
147.07979	5.8
147.11694	1.5
149.09631	5.6
149.13289	2.3
151.07530	1.2
155.08521	1.5
157.10130	5.8
159.08047	3.3
159.11659	6.3
161.09615	5.8
161.13264	2.0
163.11166	3.1
165.09102	1.7
169.10031	1.4
171.11678	3.1
173.09608	1.8
173.13264	3.6
175.11147	3.0
177.12747	1.9
181.10109	1.6
183.11702	1.5
185.13257	2.2
187.07494	1.3
187.11215	2.6
191.10596	1.3
195.11668	1.2
195.13785	1.5
199.11215	2.3
199.14793	3.4
201.12743	2.5
205.08487	1.3
205.12262	1.1
209.11650	1.6
217.15851	12.9
217.18974	1.1
219.13687	1.7
227.17867	1.4
233.11624	1.1
233.15388	1.7
237.16367	1.3
245.18953	2.6
255.17450	3.0
273.15747	1.2
273.18503	18.0
291.16360	1.9
291.19498	27.1
301.14182	1.5
311.12741	1.9
329.13748	1.6
347.14838	1.5
350.07797	2.2
365.10016	5.6
365.13953	1.2
365.23160	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89901	0.9
53.03930	3.0
55.01865	9.2
55.05247	1.7
55.05505	33.3
57.03426	12.0
57.07058	2.0
65.03921	1.4
66.90118	0.9
67.05498	36.3
69.03426	14.8
69.06697	2.3
69.07062	42.4
69.48244	6.5
69.48660	2.6
71.04981	1.9
79.05024	1.9
79.05486	31.0
81.03407	8.2
81.07047	28.4
83.04979	6.1
83.08615	14.4
83.45983	1.0
85.06525	2.3
91.05473	18.6
93.07036	23.4
95.04960	10.2
95.08601	13.4
97.02885	19.7
97.06504	4.0
97.09579	1.4
97.10162	18.6
105.03340	1.1
105.07011	14.3
107.04955	7.6
107.08580	16.7
109.06487	4.5
109.10130	11.5
111.08074	3.0
113.06035	1.9
117.07001	8.8
118.06619	1.1
119.04893	1.1
119.08576	16.5
120.57220	1.1
121.06468	1.7
121.10123	6.5
123.04427	1.4
123.08038	4.4
125.09622	17.4
129.05397	1.0
129.06978	2.9
131.08569	7.6
133.06471	2.4
133.10124	7.6
135.08081	5.9
135.11671	3.9
137.05956	1.8
137.09579	3.2
143.08556	4.0
143.10672	1.4
145.10091	4.3
147.08012	6.2
147.11653	4.1
149.09593	2.9
149.13214	2.8
151.11179	1.9
155.08545	1.6
157.10117	3.7
159.11684	3.7
161.09586	2.5
163.11180	1.9
165.09102	2.6
171.10214	2.2
171.11632	2.2
173.11732	1.8
175.11122	1.5
177.12831	2.4
189.11191	8.4
195.13753	3.0
205.12247	3.7
213.70305	1.1
223.13274	36.7
245.18991	2.7
255.17422	1.5
263.20050	1.1
268.03085	1.1
273.18460	15.6
291.19510	100.0
292.19788	2.9
347.13147	1.3
347.22363	1.3
365.23181	38.3
365.27826	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
53.43377	1.1
55.01867	11.5
55.05239	1.6
55.05503	33.0
57.03429	15.9
57.07043	1.6
59.05002	1.7
65.03920	2.5
67.05494	52.6
67.09447	1.5
69.03415	14.9
69.07057	45.4
71.04980	3.1
71.65846	1.1
71.66238	1.4
79.05479	44.6
81.03405	10.6
81.07044	45.1
83.04977	8.1
83.08607	12.0
85.02897	1.4
85.06519	4.6
91.05464	34.6
92.99771	1.0
93.07033	33.9
95.04956	17.6
95.08592	22.1
97.02876	16.2
97.06522	8.5
97.10149	19.9
105.07014	29.4
107.04941	14.5
107.08582	26.7
109.02862	1.4
109.06503	8.1
109.10146	21.3
111.04400	1.9
111.08061	3.9
113.05996	1.7
115.05473	3.0
117.07001	14.1
119.08564	18.1
121.06477	5.6
121.10132	8.5
123.04454	1.8
123.08051	4.8
123.11702	4.2
125.09617	13.1
128.06189	2.1
129.06970	5.9
130.07816	1.7
131.08563	15.6
133.06473	7.6
133.10104	24.4
135.08058	9.0
135.11667	6.8
137.09584	4.8
141.07028	1.4
142.07776	1.7
143.08586	5.3
145.06494	1.4
145.10146	7.7
147.08009	9.8
147.11694	4.6
149.09642	6.0
149.13263	2.8
151.11162	8.4
153.09059	1.5
157.10110	5.4
159.08072	2.7
159.11681	5.6
161.09558	8.5
161.13223	2.6
163.11162	2.9
165.09064	3.6
166.63702	1.3
171.10178	1.5
171.11633	3.2
173.11829	1.4
173.13295	1.6
175.11142	4.5
177.09085	3.8
177.12666	2.6
179.10614	1.9
181.10126	1.2
185.13237	2.1
187.11221	1.4
189.11183	8.5
189.12727	1.8
193.12111	1.3
195.13779	2.0
199.15004	1.5
205.12170	3.5
213.12689	1.3
223.13264	32.8
227.12802	1.5
227.17764	1.8
237.16429	1.6
243.72623	1.2
245.18867	6.5
249.14851	1.2
253.14253	2.8
255.17482	2.3
263.20004	3.9
269.13943	1.4
273.18466	28.4
291.19501	100.0
292.19885	1.8
347.22098	2.1
365.23178	65.3
366.23611	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64554	2.2
53.03923	9.8
55.01861	21.6
55.05502	36.1
57.03422	26.1
57.07045	4.3
65.03918	5.4
67.05492	92.5
69.03397	5.6
69.07059	31.9
69.34527	27.1
70.06553	3.0
71.04957	7.7
79.05033	4.7
79.05479	74.6
81.03414	12.8
81.07040	100.0
83.01334	2.6
83.04974	23.6
83.08607	12.3
85.06518	5.1
90.74346	2.3
91.05464	97.9
93.07030	75.7
95.04939	26.1
95.08022	2.8
95.08592	38.7
97.02853	3.9
97.06503	10.7
103.05439	3.1
105.07011	70.2
107.04945	23.8
107.08583	54.2
109.06478	15.3
109.10143	50.2
111.04377	3.5
111.08064	10.8
113.05978	4.0
115.05413	3.3
117.06986	17.8
119.04977	3.0
119.08567	25.7
121.06486	14.3
121.10107	18.7
123.04417	5.6
123.08043	6.8
123.11668	10.5
127.07536	3.0
128.06189	5.1
129.06961	8.0
130.07803	3.4
131.08551	27.1
133.06464	21.1
133.10107	87.6
135.08032	28.5
135.11676	14.7
137.09579	4.7
139.07524	5.3
141.06992	4.4
141.79756	2.4
143.08527	11.2
145.06435	3.3
145.10103	15.4
147.08052	8.7
147.11661	5.8
149.09613	19.8
151.11160	42.9
157.10103	7.8
159.08022	8.0
159.11647	7.6
161.09612	15.1
161.13245	5.2
163.11104	6.5
169.12248	7.2
171.11613	6.6
173.13188	3.9
175.11142	8.7
177.09064	14.2
185.13217	3.9
187.11180	3.4
189.12616	3.5
195.13748	2.8
199.14854	3.1
203.05264	2.9
217.12204	2.6
227.17839	6.2
245.19002	11.4
253.14288	24.6
255.17326	5.0
263.20050	13.4
269.13861	7.6
273.18448	45.1
273.21225	5.3
291.19513	31.7
302.29550	3.0
347.22284	5.3
365.10339	10.4
365.23178	69.0
365.33313	17.2
366.23157	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	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01869	8.6
55.05504	32.8
56.96555	1.0
57.03430	12.6
57.07056	2.1
59.04987	1.3
60.55992	0.8
65.03918	1.6
67.05494	37.5
68.05824	1.0
69.03416	13.9
69.07059	42.4
71.04975	2.5
71.10394	2.4
77.67516	1.0
79.05045	1.8
79.05482	32.4
79.05943	1.8
81.03411	6.9
81.07047	31.5
83.04981	6.7
83.08606	11.1
85.02882	1.1
85.06544	2.1
91.05468	21.9
93.07028	23.1
94.04185	1.2
95.01305	1.0
95.04958	11.5
95.08591	17.3
97.02882	18.9
97.06524	6.2
97.10149	16.0
103.05455	1.0
105.03355	0.9
105.07018	15.7
107.04941	7.8
107.08578	19.0
109.02808	1.0
109.06523	4.0
109.10142	14.7
111.08056	2.3
112.12058	0.8
113.06004	1.7
115.05428	1.2
117.07000	10.6
119.04921	1.5
119.07765	1.2
119.08562	16.2
121.06495	4.2
121.10135	5.6
123.08021	5.5
123.11684	1.3
125.09607	15.8
126.31918	0.9
127.85332	0.9
128.06197	1.5
129.07001	4.0
131.08545	11.1
131.13095	1.0
132.05664	0.9
133.06474	3.5
133.10139	6.7
135.08032	6.6
135.11662	3.6
137.09616	4.5
141.06953	1.3
142.07750	2.2
143.08560	3.7
145.10126	7.8
146.07198	0.9
147.08017	7.6
147.11638	4.6
149.09613	3.2
149.13298	1.9
151.07536	1.4
153.09093	2.2
155.08505	1.5
157.10114	4.6
159.08005	2.3
159.11693	5.6
161.09631	4.5
161.13246	2.2
162.10338	0.9
163.11156	2.6
165.09085	3.3
169.10117	1.6
171.10313	1.1
171.11678	3.9
173.09578	1.2
173.11795	1.0
173.13252	1.2
175.11143	4.0
177.12718	3.4
183.11685	1.1
185.13235	0.9
187.11142	1.4
187.14929	1.2
188.84637	0.8
189.11172	7.3
189.12712	1.5
193.12292	1.2
195.11940	1.4
195.13770	3.2
199.14786	1.2
205.12215	2.6
213.12654	1.0
217.04970	1.0
223.13249	29.9
227.12793	2.6
231.13887	0.9
237.16248	0.9
245.18924	2.3
249.14835	1.0
255.17328	2.2
263.20035	1.1
267.09131	0.9
269.10764	1.1
273.18466	21.1
279.06577	1.0
285.10062	1.6
287.47235	0.8
291.19501	100.0
292.19827	3.3
347.07697	2.0
347.22235	1.8
350.07941	4.1
365.10349	11.4
365.23117	72.3
366.10312	1.8
366.23233	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71780	1.1
52.52046	1.0
53.03931	3.4
55.01868	7.3
55.05504	30.4
57.03431	12.9
57.07071	1.2
57.98765	1.0
59.04983	1.3
65.03929	1.5
67.05495	34.5
69.03418	14.0
69.07058	49.6
69.36125	11.7
71.04986	2.2
79.05484	30.9
81.03414	6.1
81.07047	27.5
83.04973	4.6
83.08611	11.7
85.02917	1.7
85.06541	2.4
85.45436	1.0
91.05465	20.3
93.07031	25.0
95.04963	11.9
95.08586	15.7
97.02879	18.7
97.06525	5.8
97.10161	16.9
103.05446	1.7
105.03380	1.3
105.04476	1.3
105.07018	16.2
107.04945	10.4
107.08578	18.3
109.06459	5.5
109.10153	13.8
109.74692	1.3
111.08076	3.1
113.06010	1.4
115.05399	1.8
117.07006	8.9
118.06355	1.1
119.08568	13.8
121.06493	3.9
121.10110	6.4
123.08038	5.7
123.11681	1.9
125.09612	16.6
129.07002	3.8
131.08524	11.0
133.06477	3.4
133.10109	7.1
135.08018	6.1
135.11674	3.6
137.09616	3.1
143.08549	5.4
145.10155	7.4
147.08031	4.6
147.11667	4.3
149.09608	5.0
149.13216	2.8
151.07674	1.1
151.11263	1.3
153.09042	1.6
155.08533	1.5
157.10109	5.1
159.08044	1.3
159.11688	3.5
161.09613	4.4
163.11157	2.8
165.09067	2.5
167.08583	1.4
171.10211	2.1
171.11716	2.4
173.11783	1.5
175.11136	2.8
176.69603	1.1
177.12775	2.0
182.10693	1.3
189.11201	7.1
193.12312	1.1
195.13797	1.1
199.11176	1.1
203.14305	1.2
205.12230	3.1
212.62671	1.2
217.19408	1.1
223.11053	1.8
223.13257	29.8
245.18997	2.0
255.17398	2.7
263.19958	1.4
269.10590	1.4
273.18469	19.2
291.19504	100.0
292.19809	2.7
347.22018	1.8
361.89270	1.2
365.23206	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73677	3.0
53.03933	10.4
55.01865	16.7
55.05503	38.1
57.03426	27.2
57.07059	8.9
58.03792	2.4
59.04994	37.5
61.40747	2.4
65.03907	3.3
66.06174	2.2
67.05142	5.0
67.05492	90.1
69.03429	13.8
69.07053	40.4
71.04985	8.9
79.05479	71.2
81.03419	16.0
81.07043	100.0
83.04967	21.3
83.08599	10.6
85.06528	6.4
85.73440	2.3
91.05463	91.5
93.07030	72.4
95.04963	29.9
95.08595	37.3
97.02877	5.8
97.06527	12.3
97.10147	9.3
98.21420	4.8
103.05442	2.5
105.07011	74.4
107.04932	18.5
107.08573	55.6
109.06499	15.0
109.10148	43.9
111.04411	4.7
111.08066	7.7
113.06020	4.9
115.05388	3.1
115.11155	5.6
117.06998	18.6
117.09092	3.5
119.04778	2.6
119.08569	34.0
121.06490	13.6
121.10111	21.2
123.08053	13.4
123.11663	12.0
125.06028	3.6
125.09621	6.6
127.07454	2.7
128.06242	5.4
129.06982	9.9
131.08553	31.5
133.06482	15.6
133.10106	84.8
135.08038	22.2
135.11688	16.0
137.09612	7.4
139.07509	4.2
141.06943	3.7
142.07753	3.4
143.08530	10.9
145.10107	19.6
147.08012	11.4
147.11694	15.2
149.09581	20.4
149.13266	4.1
151.11162	40.1
153.09154	2.8
155.08530	4.4
156.09346	4.7
157.10078	14.0
159.08093	8.0
159.11671	8.9
161.09592	14.3
161.13249	4.9
165.09148	5.2
169.10101	4.7
169.12270	8.2
171.11670	8.9
173.09586	4.0
173.13255	3.7
175.11215	6.3
177.09100	10.5
177.12732	4.1
181.10065	4.5
183.11571	3.2
185.13222	7.1
187.11095	5.8
187.14761	2.9
189.12653	6.1
195.11647	3.2
199.11200	2.8
203.05212	2.9
208.12370	3.1
223.13284	9.1
227.17906	3.3
245.19000	10.6
253.14276	26.0
255.17480	6.2
263.20068	8.5
269.13766	4.9
273.18475	47.8
291.19495	55.9
292.19894	3.6
347.07846	3.1
347.22647	3.1
365.10257	2.7
365.23273	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.65045	0.9
53.03940	1.3
55.01861	8.7
55.05506	8.1
57.03427	48.7
57.07047	2.8
65.03926	4.5
65.89963	0.9
67.05492	46.1
69.03416	2.7
69.07065	6.6
69.49232	8.5
71.04966	6.6
75.78809	0.9
78.67667	1.0
79.05026	1.4
79.05478	24.5
81.03387	3.5
81.07049	22.3
83.04965	3.0
83.08628	4.8
85.02902	1.2
85.06527	36.4
91.05462	25.4
93.07033	21.0
95.04952	57.1
95.08588	13.3
97.02873	7.5
97.06512	9.1
97.10187	1.5
99.04449	1.3
102.05369	1.0
105.03401	1.1
105.07005	19.3
107.04943	8.8
107.08582	15.8
109.06499	55.1
109.10168	5.3
111.04458	1.5
111.08060	1.7
113.05986	100.0
113.90578	0.9
114.06329	1.4
115.05440	2.3
117.06992	10.8
119.08559	11.0
121.06503	6.3
121.10107	6.5
123.08062	4.7
125.06040	1.3
125.09585	1.5
128.06209	2.5
129.06992	5.1
131.08539	13.5
133.06467	3.6
133.10110	7.0
135.08029	36.8
135.11674	6.7
137.05931	1.1
137.09605	1.8
141.06941	1.8
142.07704	1.4
143.08537	6.7
144.09358	0.9
145.06442	2.2
145.10088	10.7
147.07988	5.4
147.11662	4.4
147.64334	0.8
149.09576	6.6
149.13260	2.6
153.01794	1.7
155.08516	1.2
157.10103	6.4
159.08052	3.1
159.11707	5.7
161.09586	8.0
161.13232	1.7
163.07509	1.7
163.11125	3.5
165.09053	1.5
167.23589	1.0
169.10114	1.9
171.11665	3.6
173.09586	2.3
173.13199	3.9
175.07487	1.1
175.11209	4.3
175.14687	0.9
177.09116	1.2
177.12682	1.9
180.09071	1.4
183.11656	1.6
185.09584	1.2
185.13197	2.1
187.07518	1.4
187.11166	3.1
189.12749	1.6
189.16457	1.2
195.11699	1.6
197.13326	1.1
199.11232	1.4
199.14792	4.3
201.12740	1.4
209.13309	1.2
213.12668	1.1
217.15834	14.2
219.13821	2.1
223.07558	1.1
227.18045	1.6
233.08313	1.2
233.15321	1.6
245.18961	3.1
255.15041	0.9
255.17406	4.2
271.04147	0.9
273.18442	25.5
274.18723	1.2
291.19492	29.7
291.27069	1.1
292.19943	2.0
297.10266	1.2
301.14264	1.0
311.84357	0.9
329.13818	1.6
347.07843	1.7
347.14816	1.6
347.22327	1.7
365.09366	9.4
365.13898	2.8
365.23257	8.3
366.09863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
54.33853	1.2
55.01861	10.1
55.05504	37.3
57.03426	16.1
59.04974	1.2
59.86046	1.1
65.03926	2.1
67.05142	2.6
67.05492	42.0
69.03421	13.3
69.07057	61.3
70.26210	2.4
70.26599	4.9
71.04971	3.3
79.05024	2.4
79.05479	37.4
81.03426	9.7
81.07043	34.5
83.04967	9.0
83.08600	12.1
84.04504	1.6
85.02882	2.4
85.06535	3.3
91.05466	22.8
93.07031	25.8
95.01305	1.3
95.04957	12.0
95.08582	15.9
97.02878	17.4
97.06527	6.8
97.10148	22.7
99.08044	2.0
101.05978	1.6
105.07010	20.9
107.04945	10.0
107.07908	2.1
107.08573	22.9
107.70589	1.2
108.20802	1.2
109.02966	1.6
109.06503	7.5
109.10134	16.6
111.04406	3.8
111.08047	2.9
113.06013	3.9
115.05424	2.4
117.07015	9.1
119.04890	1.3
119.08560	19.3
121.06479	6.0
121.10104	9.6
123.08062	6.2
123.11691	1.7
125.09608	19.2
129.05441	1.6
129.06982	5.8
131.08542	9.7
133.06462	3.8
133.10115	10.5
135.08022	9.2
135.11670	4.4
137.09572	4.1
143.08499	3.7
145.10075	9.3
147.04346	1.5
147.08037	7.5
147.11661	5.1
149.09625	3.3
149.13263	2.4
151.07532	1.8
151.11122	3.7
153.09055	2.1
157.10167	6.7
159.08043	2.6
159.11707	7.5
161.09592	5.6
161.13289	2.1
163.11153	2.8
165.09094	3.6
167.44131	1.4
169.10130	2.2
171.11601	3.3
175.11203	3.3
177.12749	2.7
183.11679	1.9
187.14799	2.8
189.09605	2.0
189.11171	10.1
189.12691	3.0
189.16322	3.2
193.12340	1.4
195.13770	2.5
201.16431	1.8
205.12207	3.9
209.13382	1.5
217.15924	2.4
223.13246	24.2
245.18938	2.2
249.14851	1.5
255.17339	1.5
273.18488	23.0
291.19489	100.0
292.19772	3.5
325.94803	1.6
347.07556	2.7
365.10071	2.0
365.23181	45.2
365.32425	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.3
55.01867	21.4
55.05507	33.5
57.03428	32.4
57.07059	4.6
64.03680	3.2
65.03930	7.5
67.05496	94.7
69.03413	9.7
69.07056	41.2
71.01340	4.8
71.04966	10.8
71.66284	5.4
79.05484	87.3
81.03423	16.3
81.07047	99.5
83.04961	20.5
83.08607	19.3
85.06524	14.0
91.05468	94.2
92.99709	3.1
93.07031	91.2
95.04955	38.7
95.08595	45.9
97.02891	4.8
97.06525	15.8
97.10147	9.5
99.04455	4.0
103.03938	7.0
105.07014	77.7
107.04950	30.4
107.08587	55.9
109.06492	25.2
109.10133	45.5
111.08066	18.3
113.05991	19.3
115.05463	5.8
115.39342	3.2
116.35221	3.3
117.07008	22.0
119.04951	5.5
119.08572	40.2
121.06487	18.5
121.10130	33.3
123.04407	6.7
123.08040	13.4
123.11719	8.7
125.09609	5.3
128.06226	4.3
129.06990	15.4
130.07736	3.2
131.04915	3.7
131.08556	36.9
133.06502	22.0
133.10106	72.7
135.08035	43.3
135.11697	17.7
137.05934	6.5
137.09555	4.5
139.07507	6.3
141.07047	3.7
143.08582	15.4
144.91406	3.1
145.10146	18.4
147.08011	14.6
147.11703	19.5
149.09579	35.2
149.13245	11.5
151.11159	32.7
153.09047	3.6
157.04865	5.0
157.10092	12.1
159.07999	8.4
159.11678	10.0
161.09641	20.8
161.13199	9.6
163.11124	3.3
165.09085	6.6
165.12672	3.9
166.16107	3.8
169.10141	3.6
169.12170	5.0
171.11571	16.1
173.09616	4.6
173.13184	7.2
175.11127	6.8
177.09052	16.6
177.12756	4.4
179.10515	3.6
185.13254	10.1
189.12772	6.1
189.16302	7.7
199.11150	3.8
203.05264	5.2
217.12251	3.6
217.15837	5.9
223.13257	5.0
225.12645	3.7
227.17934	6.5
233.15372	3.6
242.02254	3.4
245.18907	18.0
249.13013	3.5
253.14305	14.0
255.17453	7.6
263.19919	18.1
269.13800	8.1
273.18445	66.0
273.21121	5.4
291.19495	47.1
321.24448	6.2
347.07526	4.0
347.22095	9.3
365.10162	4.2
365.13995	5.2
365.23175	100.0
365.32831	18.2
366.23425	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01863	6.5
55.05505	25.4
57.03434	15.8
57.07061	1.9
67.05496	33.0
68.65453	1.5
69.03411	11.4
69.06692	2.7
69.07059	47.9
69.07432	3.5
71.65817	3.4
79.05477	22.6
81.03402	3.8
81.07054	20.9
83.04952	4.6
83.08599	7.2
85.06506	8.1
91.05466	12.3
93.07045	20.5
95.01317	1.6
95.04961	14.4
95.08597	10.2
97.02872	13.0
97.06522	6.3
97.10166	11.4
100.80790	1.5
105.07011	9.1
107.04945	6.0
107.08571	13.9
109.06509	10.9
109.10159	9.6
111.08066	4.2
113.05992	21.6
117.07007	6.0
119.08546	8.8
121.06490	3.1
121.10115	5.1
123.08090	3.9
125.09607	12.0
129.07014	2.7
131.08582	6.7
133.10123	6.4
135.08023	11.5
135.11697	4.3
137.09607	3.4
139.89229	1.5
143.08611	2.8
145.10124	5.9
147.07996	4.0
147.11694	4.1
149.09647	2.7
149.13210	2.7
157.10107	2.1
159.08083	1.7
159.11659	4.8
161.09639	2.8
162.25583	1.7
163.11145	1.9
171.10141	1.6
171.11548	2.2
177.12827	3.0
189.11230	5.6
195.13809	2.1
205.12169	2.2
217.15991	2.2
223.13274	21.9
263.20099	1.7
273.18494	16.6
291.19519	100.0
292.19952	3.7
309.41412	1.8
365.23138	25.8
365.32477	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01867	6.7
55.05503	8.3
56.96548	1.7
57.03429	42.6
57.07058	2.2
65.03918	3.0
67.05494	48.3
69.03413	4.4
69.07049	7.2
69.15347	0.9
69.89890	2.0
69.90291	4.6
71.04967	5.5
79.05479	24.3
81.03401	4.7
81.06612	1.6
81.07047	21.2
83.04965	3.7
83.08611	4.0
85.02877	1.1
85.06529	41.2
91.05460	21.7
93.07031	25.5
94.07357	1.7
95.04955	60.4
95.08601	15.6
97.02889	8.6
97.06514	8.3
97.10167	1.6
98.21441	1.8
99.04407	1.9
99.10628	1.1
103.05463	1.9
105.06330	1.9
105.07011	21.8
107.04949	11.4
107.08592	16.9
109.06502	57.9
109.10129	5.4
111.04388	1.8
111.08060	2.6
113.05990	100.0
114.06318	1.6
115.05430	2.7
117.07015	12.3
119.08566	12.7
121.06489	7.0
121.10107	6.3
123.08046	4.0
123.11680	1.4
125.05992	1.4
125.09605	1.4
127.11037	1.0
128.06178	2.5
129.06960	6.5
131.08559	16.6
133.06451	3.6
133.10098	8.7
135.08031	46.0
135.11649	7.8
137.05927	2.1
141.07028	1.7
142.07759	2.5
143.08517	7.1
145.06442	2.2
145.10095	11.7
147.04359	1.4
147.08020	7.7
147.11641	3.9
149.09634	6.1
149.13245	4.5
151.11188	1.4
153.01779	2.7
155.08583	1.1
157.10089	5.6
159.08017	4.0
159.11665	6.0
161.09598	10.9
163.11145	3.5
165.06927	1.5
169.10114	2.0
171.08052	1.3
171.11688	4.3
173.09615	2.2
173.13252	2.7
175.11211	2.9
177.12785	4.0
179.08620	1.4
181.10083	1.9
183.11636	2.4
185.09538	1.4
185.13185	2.5
189.12663	1.6
191.10593	2.4
195.11794	2.5
195.13632	1.4
197.13206	1.5
199.07477	1.5
199.11058	2.6
199.14781	5.1
201.12740	2.9
205.08409	1.2
217.15866	16.2
219.13838	1.6
227.17850	1.7
232.82230	1.3
237.16415	1.6
245.19038	2.4
251.07169	1.3
255.17445	4.4
273.18451	30.9
274.18811	2.1
285.09680	1.2
291.19501	34.1
292.19901	1.3
311.05389	2.2
323.05527	1.4
323.56052	1.2
347.07471	1.8
347.14951	1.4
347.22079	3.0
365.10068	9.8
365.13947	4.1
365.23431	9.6
366.10117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1588
Annotation	Gibberellin A57
Peak:m/z	Relative Intensity
55.01860	8.0
55.05494	6.4
57.03419	3.3
65.03922	2.9
67.05485	24.3
69.03424	10.3
69.07063	10.0
71.04966	6.8
79.05460	15.9
81.03395	4.8
81.07034	15.9
83.04951	8.9
85.02910	4.5
85.06569	2.2
91.05477	19.3
93.07027	23.7
95.04948	38.2
95.05511	2.8
95.08623	10.4
97.02872	100.0
97.06528	12.3
99.04436	4.8
105.06992	25.2
107.04946	6.5
107.08562	11.2
109.02842	2.0
109.06497	12.0
109.10155	3.1
111.04401	7.8
113.05983	4.0
115.05414	4.5
117.06992	10.1
119.04927	8.3
119.08534	14.9
120.05056	1.9
120.68152	1.8
121.02840	3.6
121.06485	23.0
121.10117	7.9
123.04409	7.6
123.08038	4.5
123.11773	2.5
125.05945	11.4
128.06166	3.4
129.06970	7.7
131.08534	20.3
133.06445	8.6
133.10118	6.6
135.04413	9.5
135.08041	7.8
135.11720	3.5
137.02379	2.3
137.05980	5.1
139.03911	2.9
139.07462	2.6
141.05470	4.5
141.06958	4.3
142.07700	3.8
143.07037	6.7
143.08531	9.9
145.06479	7.0
145.10106	18.5
147.08026	8.2
147.11711	4.2
149.05963	4.5
149.09618	7.3
150.06726	2.9
151.07526	3.6
157.06462	3.0
157.10114	8.1
159.08058	15.4
159.11618	2.9
161.05957	4.5
161.09579	4.2
163.07513	8.4
163.11183	6.1
165.06847	2.4
167.07196	2.0
167.08606	4.2
169.08655	4.6
169.10130	3.5
171.08032	6.5
171.11697	4.3
172.13321	7.6
173.05975	4.3
173.09608	11.5
173.13155	2.2
175.07518	7.8
175.11028	2.6
177.09088	10.4
179.08571	2.3
180.09398	3.7
181.10062	4.2
183.08047	2.6
183.11661	3.1
185.05963	2.7
185.08084	4.3
185.09601	9.8
186.10370	3.5
187.07529	18.2
189.05508	2.3
189.09079	9.1
191.07051	5.0
191.10564	4.9
195.11661	2.6
197.09576	3.3
199.07428	5.6
199.11194	5.1
201.09093	4.5
203.07027	3.0
203.10648	2.4
205.08569	27.8
205.12263	2.4
207.06534	3.2
207.10112	3.9
209.08080	5.0
209.11613	17.7
213.09053	3.4
213.12692	4.9
215.07036	7.9
215.10585	4.8
217.08617	4.3
223.07513	2.3
223.11234	4.2
224.08455	2.5
227.10629	7.6
229.08578	4.5
231.13824	4.8
233.08081	12.2
233.11705	6.9
237.12643	3.4
241.12198	6.9
249.11105	2.4
250.12083	5.0
255.13837	5.9
259.13229	3.9
265.12231	7.9
269.11722	15.3
273.18488	4.4
283.13245	25.1
285.14722	5.4
287.12659	11.8
293.11685	12.6
301.14343	15.5
303.17941	2.7
305.13797	4.0
311.12714	35.9
319.15445	3.9
322.04382	2.7
329.13794	30.1
337.07004	3.3
337.14096	2.3
347.08585	3.1
347.14874	67.7
347.19098	4.1
365.06354	4.7
365.10010	9.8
365.14288	9.7
365.19952	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	365.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44747	5.4
70.18762	20.4
94.06559	7.7
98.20802	6.2
101.00890	8.3
107.63419	5.2
115.74020	6.3
119.01919	11.1
128.99403	5.0
131.01926	9.2
144.34288	5.2
161.02905	8.2
173.02931	13.8
185.02832	6.6
185.04280	30.1
203.05243	60.9
220.04514	7.1
227.03882	5.2
245.04967	29.8
251.04305	6.4
263.06073	6.8
345.95099	4.9
365.10126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01210	0.7
69.79005	3.1
69.79430	2.3
94.06546	6.4
98.21445	0.8
101.00877	1.7
105.27262	0.7
119.01888	7.5
131.01924	3.6
137.01868	0.8
137.02859	1.2
138.05534	1.3
143.01852	3.8
145.03444	2.9
150.48021	0.7
155.01901	3.4
157.03474	1.6
161.02950	5.0
167.01900	0.9
169.03415	0.7
173.02959	4.4
174.02960	0.8
185.02888	5.5
185.04236	25.6
185.43073	1.0
196.04581	1.6
197.02946	3.0
203.05260	55.6
204.05632	1.1
204.12337	1.3
215.04100	2.1
220.04590	4.7
227.03987	1.2
238.05638	1.8
245.05061	14.6
257.05017	0.9
263.06079	3.4
267.17136	0.8
323.10956	1.2
326.09647	0.7
365.10562	100.0
366.10962	1.3
366.17563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.57495	1.5
55.01847	4.5
55.05505	34.3
56.05009	4.7
57.03404	4.3
60.04500	3.1
67.05495	21.1
67.10400	1.1
69.03402	5.0
69.07058	14.1
70.06558	3.8
71.60234	1.7
71.60641	2.1
79.05036	1.7
79.05479	28.4
80.04990	1.6
81.03368	1.9
81.07044	30.7
82.06551	5.4
82.42796	1.3
83.04945	5.4
83.08596	12.9
84.08095	1.6
85.06528	2.7
91.05465	15.5
93.07024	22.8
94.06548	3.4
95.04961	8.2
95.08588	10.9
96.04459	6.7
96.08089	2.4
97.06512	2.3
97.10155	31.7
98.09653	1.5
103.88177	1.5
105.07022	14.2
106.06554	1.7
107.04950	10.5
107.07325	1.3
107.08576	18.1
108.04495	1.2
109.06470	5.0
109.10105	4.7
110.06037	3.0
110.09647	4.0
111.04359	1.7
111.08038	2.2
113.05988	2.4
117.07000	6.2
119.08551	15.6
120.08090	1.6
121.10123	10.7
122.09624	5.5
123.08060	3.8
124.11243	1.7
125.09618	26.9
128.06116	1.2
129.06967	3.7
131.08556	7.0
133.06479	2.4
133.10109	3.3
135.08032	8.5
135.11662	4.1
138.12772	18.7
143.08510	2.9
145.10097	8.5
147.07983	8.7
147.11687	2.7
149.09531	1.8
152.10690	7.0
153.09064	3.4
153.12733	1.5
155.08556	1.8
157.10072	3.2
159.11703	3.8
161.09573	3.7
162.12778	3.0
163.11153	4.8
164.10695	2.2
172.11099	1.6
173.09569	3.2
180.13802	8.5
181.12204	1.6
193.12103	1.4
203.12714	6.9
205.12161	4.8
208.13248	12.7
222.14862	3.5
233.15492	1.4
236.16447	1.5
237.14787	21.3
240.15907	7.1
255.17418	2.6
260.88403	1.4
272.20065	4.9
273.18463	12.8
290.21127	9.6
291.19498	4.5
304.22586	10.5
305.21075	34.8
305.24487	1.2
306.21426	1.5
322.23694	25.4
332.22128	7.1
364.24750	100.0
365.10162	1.8
365.24927	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.05504	2.8
56.81723	0.5
57.03426	0.6
57.07066	6.1
67.05500	4.6
69.07062	3.3
70.40464	1.0
70.40852	1.7
71.08624	4.4
79.05489	4.3
81.06576	0.5
81.07048	9.5
83.04991	0.5
83.08601	1.0
85.06532	3.1
87.04732	0.4
91.05456	1.8
93.07039	3.3
95.04961	1.1
95.08597	6.9
97.06534	0.8
97.10140	0.6
99.08077	2.1
105.07012	2.6
107.08590	3.9
108.24111	0.4
109.06508	19.3
109.10144	3.4
111.08041	1.1
117.07037	0.6
119.08551	3.4
121.06475	0.6
121.10117	2.6
122.07306	2.2
123.08057	28.3
123.11685	1.4
131.08534	0.6
133.10132	1.2
135.08037	3.7
135.11687	0.7
137.09572	0.8
145.10126	1.1
147.11693	1.9
149.09634	0.5
149.13185	0.5
151.14832	0.6
159.11641	0.7
161.13293	0.7
165.12729	1.5
167.14310	1.5
179.14291	100.0
180.14610	3.5
193.15874	2.6
265.17981	0.5
318.14188	1.0
331.26224	4.9
351.35001	0.5
363.28894	88.3
364.29233	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	364.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05494	0.7
57.03408	0.2
60.65368	0.2
67.05494	1.0
68.24091	0.1
69.03414	0.4
69.07065	0.3
69.24188	0.1
69.38158	0.9
69.38586	0.7
75.74827	0.2
79.05489	1.0
81.03406	3.3
81.07056	1.2
83.04963	0.7
83.08604	0.8
85.02895	0.6
91.05467	1.4
93.07043	0.8
94.04049	0.4
95.04954	1.2
95.08589	0.3
97.02895	1.1
97.06477	0.2
97.10175	0.2
98.03196	0.2
105.07014	1.2
107.04928	0.2
107.08600	0.4
111.08026	0.4
119.03547	1.3
119.08569	0.9
121.10157	0.3
123.08062	0.4
127.03904	0.2
128.04198	0.2
129.06989	0.7
131.08556	0.6
133.10110	0.5
136.06168	100.0
137.02330	0.3
137.04614	1.4
137.05672	0.4
137.06680	0.9
137.09610	0.2
147.11679	0.7
149.09612	0.4
152.05627	0.3
154.07204	0.2
157.10138	0.6
174.07759	1.4
175.11169	0.8
181.06508	0.2
193.04959	0.2
193.12210	1.6
202.10715	0.2
211.11453	0.3
211.13275	2.7
216.29512	0.2
225.52974	0.2
227.64058	0.2
234.06641	0.3
237.05435	1.1
265.04913	0.3
273.13556	0.2
279.06537	0.5
293.04669	0.2
295.09375	0.2
302.17438	1.6
308.06592	0.3
310.16562	0.5
319.15067	0.2
320.18500	0.4
321.03818	0.9
322.04553	0.3
328.17691	0.7
346.18683	2.0
356.81146	0.2
364.05655	2.7
364.19760	28.0
365.06274	0.4
365.10123	1.2
365.20099	1.7
366.06192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30342	0.8
53.03925	2.8
55.01626	0.7
55.01869	6.4
55.05505	29.4
56.05023	3.2
57.03413	1.9
58.06576	2.7
59.04998	1.1
60.04504	3.7
65.03957	1.3
67.05152	1.0
67.05497	17.0
69.03418	2.7
69.07056	12.8
69.92482	4.8
70.06565	2.1
71.04993	1.3
74.14481	0.9
79.05486	25.2
80.04993	3.2
81.03404	2.6
81.07048	35.2
82.06560	4.1
83.04962	4.4
83.08611	13.5
84.04490	1.5
85.06498	1.2
91.05474	14.3
92.05010	0.8
93.07037	20.0
93.87482	0.8
94.06541	2.3
95.04942	6.0
95.07368	0.9
95.08596	10.0
96.04484	7.9
96.08123	2.6
97.06513	2.6
97.10161	30.5
100.07611	1.2
105.07026	13.2
106.06601	1.2
107.04948	7.8
107.08578	15.6
108.08096	1.8
109.06480	2.6
109.10143	4.2
110.06017	3.4
110.09644	2.5
111.04500	0.8
111.08035	2.5
114.90470	0.9
115.05431	1.6
117.07013	9.6
118.06485	0.9
119.07316	1.5
119.07689	1.2
119.08572	21.0
120.08082	1.7
121.06474	3.7
121.10120	12.5
122.06039	1.9
122.09648	8.6
123.08045	2.7
124.07578	1.3
125.09623	26.9
128.06190	1.3
129.06981	5.3
131.08533	8.5
132.08080	2.6
133.06461	1.7
133.10091	2.0
135.08040	9.1
135.11690	4.7
136.07596	0.9
136.11197	1.2
137.09602	1.3
138.12762	22.7
139.11182	1.2
143.08545	3.9
145.10115	12.6
146.09621	1.2
146.23444	0.9
147.08037	8.1
147.11674	1.7
149.09633	2.6
149.13205	1.5
152.10696	6.9
152.62863	0.9
153.09094	4.1
153.12781	0.9
157.10121	3.3
157.12234	1.5
159.08037	1.8
159.11691	2.6
161.09573	3.8
162.12782	2.0
163.11197	4.8
164.10632	1.3
171.10196	1.4
171.11661	2.3
173.09627	2.8
175.11139	1.8
180.13826	9.3
181.12225	1.4
186.36230	1.1
191.10605	1.2
192.13824	1.2
193.12230	1.0
203.12766	12.8
204.13835	1.7
205.12259	4.4
208.13306	13.1
209.11719	1.1
222.14844	2.2
227.17924	2.0
236.16435	1.6
237.14810	21.7
240.15938	10.0
245.18970	1.7
250.14415	1.8
255.17464	2.4
261.18509	1.3
262.21683	1.7
272.20071	4.4
273.18472	23.6
287.20096	1.2
290.21045	11.1
291.19550	2.6
304.22708	13.2
305.21088	44.2
306.21512	1.4
322.23712	28.4
323.24243	1.5
332.22128	9.2
346.23904	1.6
364.24774	100.0
365.25073	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	365.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89354	1.6
56.96551	29.0
69.03405	2.9
69.64088	13.3
70.40662	1.6
70.66312	1.7
70.98120	3.4
76.33108	1.6
84.96017	12.6
85.02864	2.3
88.99152	3.4
97.02875	2.8
98.21445	3.0
98.97569	79.6
103.00585	2.7
107.00164	1.9
110.97552	22.7
112.99136	4.8
116.98601	33.2
119.01909	6.7
121.01650	3.6
124.99135	5.6
128.98579	24.0
131.00163	4.4
131.01866	4.5
131.05481	3.6
133.03452	4.1
134.99651	6.0
140.98555	3.5
143.00143	11.4
143.01947	3.1
144.98083	2.8
145.03432	4.9
146.99608	20.0
147.03197	3.2
149.01175	2.2
149.06580	4.2
152.98601	12.0
157.03476	4.0
158.99628	9.8
161.01204	10.2
161.02924	3.4
161.06610	4.9
162.99265	4.5
165.00719	8.2
170.99605	12.8
173.02942	5.1
177.00706	8.4
185.02892	3.0
185.06612	3.1
189.00682	15.3
199.07947	2.1
201.00726	3.9
203.07640	6.7
204.12296	5.2
207.01770	7.9
215.07599	6.5
219.01765	17.9
221.05016	5.1
233.03357	8.0
237.02779	36.5
237.06409	3.1
251.04359	100.0
252.04756	2.0
255.03943	3.5
255.07463	2.4
261.90182	1.9
269.05396	34.3
274.06015	4.0
275.09525	2.5
277.07574	2.4
305.05484	5.3
305.07248	2.3
305.10706	22.9
323.11972	2.9
333.04996	3.7
347.06403	3.4
365.07770	58.1
366.08054	2.7
366.17581	5.5
383.08646	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01852	3.1
55.05505	26.3
57.03418	4.0
57.07053	3.0
60.08152	4.2
62.45193	1.4
65.03928	2.0
67.05494	65.4
68.05820	1.8
69.03415	1.4
69.07063	23.7
71.04987	2.5
71.58595	1.7
73.02908	2.5
79.05479	39.0
80.05793	1.5
81.07046	48.5
83.08608	8.5
83.35310	1.2
85.06525	6.1
91.05468	17.8
93.07034	45.6
95.04961	8.7
95.08592	32.3
97.06509	3.9
97.10147	2.2
99.04439	3.0
105.07016	13.3
107.08581	22.9
109.06507	5.0
109.10141	11.3
113.05977	10.3
117.07036	2.5
119.08571	10.7
121.06513	2.7
121.10133	16.3
123.08047	2.3
123.11716	2.9
129.06947	1.6
131.08536	5.2
133.10118	6.0
135.08009	6.0
135.11658	7.8
143.08589	1.9
145.10092	2.4
146.40288	1.1
147.11678	2.7
148.96196	1.2
149.09608	2.0
149.13231	4.0
157.10065	2.4
159.03833	1.3
159.11674	3.7
161.09636	1.3
161.13280	2.3
163.14786	1.8
173.13226	2.2
183.11589	1.4
195.11653	1.3
197.13242	1.3
199.14749	1.2
206.02644	1.4
217.15773	1.7
273.18555	3.1
291.19495	6.4
305.24707	82.3
306.25162	2.7
311.33932	1.1
325.72803	1.3
364.32053	100.0
365.10330	1.8
365.32355	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	363.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
57.03417	8.6
59.02521	3.2
66.06303	3.9
67.05484	5.1
69.03421	48.2
69.07048	6.0
70.06567	10.3
71.01324	5.0
71.04935	3.2
71.24902	7.5
72.08136	6.9
73.02908	4.9
79.05483	10.7
81.03398	19.2
81.07050	3.9
83.04979	6.9
84.08113	10.3
85.02882	10.8
86.09677	10.5
89.76220	3.4
90.05535	8.4
91.05453	12.3
93.07019	8.1
95.04948	9.6
95.08597	5.1
97.02861	14.5
98.05989	3.6
98.97501	3.7
99.04433	6.3
103.05454	5.2
105.07021	8.5
107.04937	11.2
107.08574	6.1
109.02875	7.1
109.10071	4.1
115.05478	5.7
116.07063	7.9
117.06958	5.3
119.04941	8.7
119.08547	7.4
120.08080	8.6
121.06484	4.0
121.08372	3.7
127.03918	5.2
128.06184	5.2
129.06975	12.1
131.04890	19.4
137.05949	7.7
138.05441	7.0
141.06915	6.6
143.08556	8.2
147.04382	24.2
149.05978	7.2
152.06158	26.5
153.06955	15.3
155.08516	16.8
157.06503	7.6
160.05151	8.3
161.05933	14.9
164.07030	5.8
165.06979	32.8
166.07634	3.9
167.08533	68.3
169.06512	6.5
171.04156	4.4
173.05937	10.4
174.06738	34.6
175.03879	3.5
175.07541	38.1
177.05431	5.1
177.06915	7.4
181.06435	18.5
183.07988	20.5
185.09624	9.2
187.03859	12.9
187.07474	6.0
189.07065	4.0
189.09021	4.0
193.06482	16.6
195.08043	100.0
197.05927	10.9
198.06723	12.3
199.07491	31.8
201.05447	6.2
201.09001	6.1
202.06189	7.8
202.10718	10.2
204.08722	4.4
211.07513	73.2
213.05376	4.8
213.09061	69.2
215.03394	13.3
215.06935	5.4
219.06422	8.1
221.05965	13.5
223.07520	25.1
225.05460	14.0
226.06308	8.1
229.04837	4.7
229.08560	16.3
234.08807	41.2
239.06990	80.9
240.07692	6.7
241.08539	98.0
243.06445	22.5
249.05414	10.4
257.08124	44.8
257.12534	3.7
259.09586	5.3
267.06467	51.7
269.08005	11.0
271.02396	6.1
271.09512	4.4
273.08768	3.7
275.01816	5.6
277.04956	3.9
279.06619	4.8
285.07495	97.2
295.05957	8.5
299.01929	5.9
299.09076	34.0
313.03455	8.8
313.06989	94.2
314.07373	4.8
317.02618	5.0
317.10641	5.3
317.14429	8.0
318.14096	30.2
327.08737	11.1
331.08102	16.3
345.10468	6.8
349.05405	4.6
363.08139	22.7
363.16013	14.4
364.05505	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	363.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.1
57.07058	4.6
60.47252	2.4
66.31181	2.2
67.05476	6.1
69.07058	5.3
70.23244	9.1
71.08617	4.4
74.05355	2.1
79.05484	4.2
79.46610	2.4
81.07052	8.2
83.08607	2.3
91.05454	4.7
93.07022	3.8
95.08573	6.6
95.12325	2.3
97.82632	2.1
105.07021	5.5
107.08554	4.9
109.06503	14.2
109.10107	4.5
117.14225	2.2
119.08516	3.0
121.10163	2.9
123.08057	33.9
123.11675	2.2
133.10080	2.4
135.08055	5.6
140.36174	2.5
147.49709	2.1
179.14294	77.1
180.14616	3.1
181.31746	2.2
183.84097	2.3
193.15948	3.6
318.14105	2.9
331.26367	3.4
363.28888	100.0
364.29276	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	363.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
62.49956	0.6
63.02361	4.7
69.03397	0.9
71.58566	1.0
71.63934	0.6
79.05457	0.7
81.03384	1.0
81.07010	0.8
91.05465	1.1
93.06975	0.7
95.04925	0.6
95.08603	1.0
97.02872	1.3
97.06468	1.0
103.05437	0.9
104.96651	0.6
105.07024	1.0
109.06513	0.7
119.01276	2.3
119.08517	0.8
131.04915	1.7
135.04369	0.8
151.09468	0.7
153.01736	0.6
157.10045	0.8
159.04405	0.7
161.05858	0.8
175.07440	1.0
179.03313	1.1
187.03900	8.7
187.11041	0.7
201.01846	1.3
203.03333	1.1
215.03352	100.0
216.03723	4.7
227.03401	2.9
231.02827	1.0
243.02847	17.2
247.02083	0.7
247.05820	0.8
255.02855	0.8
259.05978	1.0
260.51459	0.6
271.02335	50.8
272.02695	1.7
275.05417	1.1
280.71140	0.6
287.05447	1.9
299.01825	90.6
300.02185	3.4
303.05035	3.9
313.03369	4.2
331.04459	10.8
332.04736	0.7
363.05453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05499	0.4
67.05504	0.5
69.03418	0.9
69.68441	2.3
69.68855	1.0
70.06592	0.5
72.08138	0.5
81.03402	1.5
81.07041	0.9
83.01325	1.0
85.02917	0.5
86.09708	0.5
91.05464	0.7
97.02884	1.1
99.78315	0.4
103.05421	0.5
105.06965	0.5
115.05428	0.9
117.07037	0.6
117.82768	0.4
128.06221	0.5
131.04889	0.8
133.06436	0.7
137.02309	0.9
140.07076	0.5
143.04956	0.4
145.06432	0.8
153.01935	0.8
155.04913	2.9
158.03670	0.6
159.04424	1.0
160.05203	1.3
161.02303	0.5
161.05951	0.9
162.03102	0.6
165.01871	0.5
170.02097	0.6
171.04381	0.6
173.05968	1.5
173.66286	0.5
176.04634	0.6
178.02574	0.5
179.03438	0.9
183.02977	0.6
183.04408	1.5
186.02972	0.5
187.03883	12.3
188.04468	0.9
189.05466	0.6
201.05473	2.9
202.02562	2.7
203.03372	1.5
204.04219	2.3
205.04938	0.6
211.03847	2.0
214.02629	3.9
215.03360	11.2
216.04155	10.1
217.04909	3.7
218.02119	0.7
219.06561	1.7
227.03352	1.4
229.04897	5.8
230.05420	0.6
231.02931	0.5
232.03653	8.8
233.04266	0.7
241.05051	0.9
242.02074	7.8
243.02779	4.4
244.03639	1.8
245.04439	3.4
247.05986	22.6
248.06352	1.2
255.02867	0.8
257.04398	7.1
260.03134	1.7
261.03931	0.6
270.01569	14.1
271.02087	0.9
274.04752	1.9
275.05460	11.9
276.05774	0.7
283.02539	0.6
285.03906	15.8
286.04263	1.1
287.01886	3.3
287.04874	0.7
288.02509	2.0
298.01038	2.8
299.01566	0.7
302.04214	2.0
303.04953	18.3
304.05307	1.0
313.03394	100.0
314.03729	5.2
317.06558	14.3
317.09729	0.3
318.06876	0.8
318.14069	1.0
320.06909	0.7
331.04346	3.4
345.06027	46.5
346.06320	2.5
363.06744	0.9
363.18289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50647	0.4
55.01846	0.9
62.96343	0.5
63.02359	4.3
66.46334	0.4
66.70107	0.5
69.03401	0.9
69.45360	4.0
71.04958	0.5
73.46583	0.5
78.49220	0.5
79.05466	0.6
81.03416	4.7
81.07044	0.7
81.83911	0.5
83.08582	0.5
84.08180	0.5
88.60222	0.5
91.05460	1.2
93.07047	0.6
95.04936	1.0
95.08609	0.5
97.02868	1.4
99.28510	0.5
103.05459	1.1
104.06239	0.5
105.06972	1.0
113.07767	0.4
115.05398	0.9
119.01244	1.9
119.08504	0.5
121.91374	0.5
124.07567	0.6
131.04898	2.0
133.06433	0.6
136.06148	0.8
137.02328	0.7
137.06026	0.5
147.04430	0.8
157.10083	0.8
159.04379	0.9
160.05145	1.6
161.05917	1.0
171.04404	0.7
173.02321	0.6
173.05925	0.8
176.07002	0.6
179.03387	0.8
185.09534	0.5
187.03883	10.8
188.04285	0.7
189.09070	0.9
201.01782	2.1
203.03320	1.3
213.09151	0.8
214.02496	0.6
215.03363	100.0
216.03801	5.1
217.04944	0.8
227.03346	2.1
229.04895	1.4
229.08543	0.7
231.02753	0.6
232.03601	1.1
236.03030	0.5
240.09836	0.6
242.02081	1.0
242.10371	0.8
243.02870	17.4
244.03415	1.5
247.06009	3.6
257.04132	0.7
257.08130	0.6
257.12769	2.4
260.03110	0.6
270.01382	1.6
271.02341	50.5
271.13470	0.8
272.02631	3.1
275.05472	2.7
275.13861	0.6
285.03934	2.1
285.07004	0.5
285.12332	1.8
287.01855	0.7
289.14288	0.6
299.01834	83.2
300.02173	4.0
303.04996	6.3
303.13428	1.0
304.05145	0.5
313.03378	13.1
314.03619	1.3
316.03986	0.5
317.06531	1.4
318.14355	0.5
331.04449	11.0
331.12708	1.0
345.06030	8.5
345.10144	0.8
346.06085	0.6
348.06302	0.6
363.07227	2.2
363.11450	0.6
363.18011	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	363.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
63.02066	0.7
63.02367	4.6
64.02648	0.4
65.15107	0.4
67.05496	1.0
69.03412	0.9
71.29716	0.5
71.66325	0.6
78.48741	0.4
79.05464	1.0
81.03397	0.7
81.07055	0.6
82.07346	0.5
91.05449	0.8
95.04955	0.6
97.02844	0.6
103.05434	1.1
105.06998	0.7
109.06493	0.5
111.76299	0.4
119.01286	2.2
119.04964	0.6
119.08539	0.5
121.06416	0.6
129.06981	0.6
130.22400	0.4
131.04941	0.8
145.06512	0.5
159.04451	0.8
173.02373	0.5
179.03394	0.8
187.03874	9.8
187.05444	0.8
201.01813	1.2
203.03310	0.9
215.03366	100.0
216.03769	4.5
227.03400	2.3
231.06436	0.4
243.02869	16.3
244.03413	0.9
247.05989	1.2
255.02805	1.1
259.06033	1.4
270.01508	0.8
271.02338	50.5
272.02646	3.0
275.05539	0.9
285.03833	0.5
287.05515	1.3
299.01825	84.9
300.02139	4.5
303.04980	4.0
303.08289	0.6
313.03415	6.8
318.14029	1.0
331.00494	0.6
331.04456	10.8
332.05032	0.5
363.06976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0705
Annotation	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01841	1.1
62.85273	0.6
68.99754	0.7
69.50306	5.5
71.18265	0.6
77.74854	0.7
79.05455	1.4
81.07000	0.6
83.01297	1.1
91.05413	0.9
94.21478	0.6
95.04929	0.8
95.59766	0.6
97.02857	0.8
103.05437	0.6
103.84875	0.6
105.03345	1.2
115.05399	2.1
115.58720	0.5
117.07018	0.7
125.02312	0.9
129.06953	1.2
131.04869	0.8
134.03586	0.9
135.04346	1.8
136.06100	1.1
137.02301	0.7
153.01782	2.0
153.03114	0.8
155.04890	3.7
159.04410	0.8
160.05190	3.2
161.02344	0.8
162.17267	0.6
171.04353	1.7
171.41862	0.6
173.05890	1.0
174.03123	0.6
178.02568	0.8
179.03348	0.9
183.04396	3.2
185.05957	1.9
187.03850	2.3
188.04611	2.1
199.03897	0.8
201.05408	2.7
202.02553	3.5
203.03282	3.0
203.06987	0.7
205.04951	0.6
211.03853	2.4
213.05400	1.2
214.02554	3.4
215.03354	1.9
216.04143	26.0
217.04901	3.8
218.02063	1.3
223.02338	1.7
227.03340	14.2
228.04140	1.0
229.04915	8.5
231.02840	0.8
231.06479	9.0
241.04906	1.6
242.02061	7.2
243.02780	1.3
243.06424	2.9
244.03647	14.4
245.04300	1.5
247.02301	2.0
255.02852	22.0
256.03281	0.7
256.26758	0.6
257.04419	6.8
259.05978	55.5
260.03168	1.5
260.06345	1.8
261.03918	3.0
270.01535	14.2
271.01846	0.9
285.03876	10.9
285.06885	0.9
287.05450	80.1
288.02747	1.3
288.05801	2.8
289.03375	1.9
298.01056	2.5
299.01715	1.7
301.33945	0.6
303.04956	1.1
313.03378	100.0
314.03723	5.0
314.45096	0.6
317.06567	0.8
319.08072	6.5
331.04428	44.1
332.04797	1.8
363.07031	7.2
364.06339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0857
Annotation	2-methyladenosine 5'-phosphate
Peak:m/z	Relative Intensity
50.26694	0.2
56.96549	0.7
69.03421	0.9
70.14620	0.4
70.15039	0.8
71.78657	0.2
73.02906	0.3
75.89118	0.2
84.08102	0.4
85.02894	0.5
87.04478	0.2
91.29668	0.2
97.02879	10.3
98.03182	0.2
98.20760	0.3
98.97569	0.8
116.98596	0.5
119.01888	0.4
119.03537	0.8
127.03817	0.2
128.98541	0.3
136.06168	100.0
137.04625	1.1
137.06662	1.0
145.03508	0.3
146.99637	0.3
155.01892	0.3
158.99754	0.2
161.02870	0.2
165.00690	0.3
177.00807	0.3
184.00711	0.2
191.03812	0.3
205.00253	0.3
219.01785	0.2
223.01231	0.3
250.09326	0.3
251.04514	0.2
253.07817	0.3
317.13699	0.3
320.08853	0.3
335.91754	0.2
349.06216	0.3
362.08554	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	361.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05499	12.9
56.50271	2.3
56.73659	2.1
57.07076	20.1
64.64565	2.1
67.05495	52.4
68.09319	2.2
69.07065	25.7
71.08257	1.9
71.08606	12.8
71.33755	5.1
79.05464	10.6
81.03399	3.2
81.07045	73.5
83.08619	15.2
85.10146	6.1
93.07028	7.1
93.66988	2.2
95.08593	100.0
96.08953	3.2
97.10131	11.5
105.07021	2.8
107.08574	6.4
109.10141	66.2
111.11697	7.1
121.06482	3.0
123.11686	32.0
137.13211	9.2
145.10034	2.8
151.14793	4.7
161.05904	7.1
161.09627	6.1
165.16360	3.9
167.08591	2.8
178.06216	4.7
194.73352	2.3
202.21463	2.5
271.13290	3.2
299.12701	6.2
317.13815	29.5
331.04425	4.0
334.84439	2.8
353.04465	2.2
361.08948	11.6
361.31976	5.0
361.38464	22.6
362.15884	8.3
384.72321	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	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.1
53.99448	2.7
55.01854	6.0
55.05492	2.7
55.46321	2.6
57.03426	4.9
62.86071	2.1
63.26331	2.1
65.03915	3.9
66.25562	2.3
67.05472	3.0
68.99773	5.1
69.03056	2.7
69.03419	49.6
69.29920	17.6
69.30350	13.2
70.06570	9.7
71.04978	8.7
72.08123	2.7
79.05500	17.0
80.49483	2.7
81.03400	56.1
81.07034	5.3
84.04490	4.9
84.08127	11.6
85.02889	44.3
86.09672	12.2
87.00806	14.9
91.05447	13.6
93.07041	22.1
95.04954	8.9
95.08508	2.6
97.02884	13.5
97.06513	5.4
98.19992	2.9
98.21474	6.0
99.04432	17.2
105.01830	2.5
105.07034	4.3
107.04920	6.5
107.08576	3.4
109.02866	36.6
109.06490	3.6
111.04417	5.4
113.05956	4.1
116.07079	5.6
119.04941	6.9
121.06493	24.3
122.03599	3.5
123.08040	11.4
125.05938	4.6
127.03899	80.3
129.01817	2.8
129.10214	5.6
131.04945	5.3
131.08638	2.6
133.02885	3.9
135.04323	2.5
137.05948	38.6
139.03943	2.6
139.07542	14.0
146.95464	2.8
147.04395	20.7
149.05968	12.9
151.03914	4.3
151.07486	3.8
153.05476	3.2
161.05946	4.9
161.09502	5.1
163.03917	5.8
163.07472	7.2
165.05518	4.4
165.09039	4.9
167.07019	100.0
168.07434	4.7
169.02631	8.8
179.51335	2.8
179.57648	2.5
183.06548	2.9
185.08020	4.1
187.07471	2.8
187.45767	2.6
188.03758	5.3
191.03394	3.7
195.02876	14.2
199.09641	28.2
215.05251	11.3
231.05000	7.6
254.05783	2.9
271.09601	6.0
271.13013	2.5
273.11487	2.7
297.07758	3.2
299.08908	3.6
299.12903	2.9
315.05179	4.0
315.08575	9.9
315.12100	4.1
317.13702	22.0
343.08444	2.9
361.08765	36.8
361.14294	4.9
361.18283	3.8
362.08963	3.1
362.15784	4.7
384.12598	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	361.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76499	1.4
53.03934	1.3
55.01866	1.1
56.05017	1.6
56.96544	3.5
57.03439	1.2
64.97110	1.2
66.03368	1.2
69.03425	4.0
70.06575	4.7
70.83000	1.9
70.83341	1.8
71.04978	1.3
74.06056	1.8
81.03407	2.5
83.06099	2.5
84.04514	3.2
84.08130	6.2
85.02888	8.6
86.09705	5.1
97.02877	2.5
98.20810	1.5
98.39524	1.3
98.97576	2.1
99.04421	1.7
101.05984	1.6
101.27200	1.5
103.57122	1.2
109.02885	2.0
116.98592	2.1
125.07106	3.2
127.03899	3.4
129.10213	3.4
137.05923	3.8
138.09209	1.6
147.04372	2.7
153.10222	3.4
165.06973	10.5
166.07722	1.8
167.07121	1.7
169.06458	3.1
178.06273	2.4
178.07718	2.3
179.08528	18.4
181.06526	3.3
181.09680	10.6
183.08031	29.9
189.07011	3.1
191.08578	1.8
193.06445	4.6
194.07269	2.6
195.08008	2.5
197.05971	3.1
199.10783	17.9
206.09566	1.3
207.08022	61.6
208.08464	1.6
209.09622	5.2
210.09140	6.3
211.07501	16.9
211.94136	1.5
217.06491	5.4
219.08026	1.6
221.05923	11.7
223.07536	3.6
234.09172	1.7
235.07498	100.0
236.08005	2.9
236.10709	2.8
237.02780	1.5
237.09109	7.9
238.08624	4.1
239.06990	61.9
240.07365	1.6
252.10161	64.1
253.08342	2.4
253.10658	3.1
254.11620	1.9
263.07040	11.1
270.11172	1.7
280.09659	12.1
281.08047	50.9
284.09116	3.7
297.12280	42.3
298.10672	66.8
303.05051	1.9
309.07483	1.8
315.08820	1.7
315.09500	2.0
315.13309	15.6
326.10144	14.4
327.08530	1.9
331.04462	3.7
343.12833	56.7
344.11469	5.4
346.06839	2.2
361.09109	15.2
361.14056	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0912
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
53.82754	0.3
55.01865	0.3
55.05503	0.4
68.99780	5.8
71.60358	0.4
75.61103	0.3
79.05482	0.6
81.07025	0.4
84.02088	0.7
91.05458	0.8
92.99727	0.4
93.06973	0.4
95.01316	0.3
95.04940	0.3
95.08564	0.4
96.02017	0.4
97.06503	0.9
99.00795	0.5
103.05469	0.6
105.03345	0.4
105.07022	1.5
107.04934	1.7
107.08566	0.4
107.22317	0.4
112.01553	1.1
119.04913	1.1
119.08582	0.4
121.06445	0.4
125.02387	0.4
127.00244	1.0
127.41805	0.3
131.04883	1.1
133.02840	0.8
133.06456	1.1
135.04396	0.7
135.08017	0.6
137.02361	0.4
137.05978	0.4
139.00264	2.4
140.00989	0.5
141.34068	0.3
144.05658	0.4
147.04359	1.5
148.05190	0.5
149.02319	2.2
149.05994	0.4
150.03070	1.4
151.07500	1.1
153.01810	1.3
153.05484	0.5
155.03369	0.5
159.04349	0.4
161.05965	5.0
163.03883	3.9
164.04668	4.1
165.01805	0.3
165.05498	2.4
166.99742	1.7
167.07059	0.6
168.00536	3.6
169.01311	1.9
172.05190	0.4
173.06104	0.4
177.05301	0.4
178.06236	10.1
179.06918	1.8
181.01328	0.7
182.02036	1.0
183.02867	3.7
184.05005	0.5
185.00797	8.4
185.05824	0.3
186.01569	5.3
186.03093	0.4
194.09312	0.4
198.01596	1.9
199.07478	0.3
200.03157	0.4
202.06165	0.4
204.04152	0.7
205.04933	0.5
212.04683	0.5
213.05359	0.5
215.03345	1.0
226.06288	0.8
227.03441	0.4
229.04915	1.0
230.05740	0.5
232.03619	2.1
240.04158	0.9
241.04863	0.5
243.02869	1.3
253.04959	0.4
254.05740	1.4
255.02849	0.5
255.06325	0.7
257.04483	2.1
258.05246	2.3
259.06018	0.6
260.03134	1.0
269.04404	0.8
270.04944	0.6
271.02350	1.7
271.05545	0.5
272.03531	0.4
275.05511	0.7
282.05142	5.5
283.05856	0.5
285.03943	3.7
286.04636	3.2
287.05338	0.5
289.47336	0.3
297.03790	0.5
298.04639	0.6
299.01804	1.9
299.05157	0.7
300.06116	0.9
301.06970	3.8
303.04993	2.9
305.10263	0.4
310.04691	3.9
311.05365	0.7
313.03293	3.2
314.04193	3.5
315.04883	1.4
316.02014	1.0
316.79980	0.4
317.06473	0.5
325.55457	0.5
327.04965	1.9
328.05740	7.5
329.06396	1.2
330.06949	0.4
331.04346	12.8
332.04822	0.8
333.09027	0.6
345.05896	0.7
346.06766	9.2
347.07495	0.8
361.09088	100.0
362.09421	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	361.0915
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
50.74305	0.3
51.02385	0.4
53.03942	0.8
53.83127	0.3
55.01864	1.3
57.03429	6.5
60.88585	0.3
65.03928	1.8
65.49422	0.3
66.04716	0.4
67.05506	0.7
68.99777	3.4
69.03421	0.7
70.06573	0.4
70.82697	1.0
71.04993	0.4
74.03997	0.3
79.05490	2.6
81.03409	3.8
81.07043	0.7
83.01328	0.9
83.04965	0.4
84.08117	0.7
85.02895	19.4
86.09694	0.6
89.03919	0.9
91.05470	1.6
93.03385	0.9
94.04181	3.6
95.04957	1.6
97.02882	2.2
99.04412	0.4
105.03390	1.2
107.01289	1.1
107.04932	4.7
108.68340	0.3
109.02856	2.7
109.06512	1.0
110.03626	0.4
111.00782	1.2
111.04411	1.2
115.05470	0.3
115.06411	0.3
117.03381	0.4
119.04909	0.8
121.02859	3.7
121.06482	0.5
122.03641	9.9
123.04418	1.4
125.02345	3.9
125.05958	0.9
127.03955	1.0
129.01891	0.4
131.04892	0.5
133.02831	4.3
135.04401	9.5
135.08041	0.4
137.05960	100.0
138.06303	1.5
139.03870	0.8
139.24458	0.4
143.04869	0.4
145.02876	1.8
146.03421	0.3
147.04395	1.7
149.02351	1.8
149.05975	2.1
151.03885	3.6
151.07542	0.4
152.06157	0.4
153.01808	3.2
153.06984	1.9
161.02328	5.6
161.05974	1.6
162.03021	0.4
163.03883	5.7
163.07544	0.4
165.01834	3.3
165.05472	1.4
165.06831	0.5
167.03419	1.8
167.04689	0.4
167.06981	0.4
169.04953	0.7
169.06436	0.6
171.02910	2.9
171.07938	0.7
173.02324	7.2
175.03920	0.5
175.07536	0.6
177.01816	3.3
177.05449	0.4
178.06241	1.1
181.06421	4.2
183.02882	1.5
186.01465	0.4
189.05469	1.0
191.03391	11.3
191.06987	0.5
193.04974	0.8
193.06500	0.4
195.02869	77.1
196.03270	1.8
197.05948	0.6
198.06726	1.3
199.07555	0.6
201.05469	0.5
203.06999	0.7
208.05191	0.7
209.04359	1.3
209.06026	2.2
210.06633	0.6
211.02312	0.7
213.03865	0.8
213.09125	0.8
215.07042	0.5
217.04869	1.7
219.02861	0.9
223.03918	0.4
225.05446	0.5
226.06189	2.2
227.07033	2.1
229.04958	0.5
237.03514	4.0
237.05672	1.5
241.08557	1.4
243.06488	2.5
253.05032	0.5
254.05664	3.1
255.06456	2.5
257.04294	0.6
259.05951	0.5
265.04965	1.2
266.05814	0.4
269.08066	10.5
269.28394	0.4
271.05954	1.6
272.06735	1.3
281.08023	1.5
282.05304	1.1
283.06024	4.5
285.07434	0.6
287.09109	17.9
288.09482	0.6
295.88019	0.4
297.07550	7.2
299.05417	2.3
300.06061	1.7
311.05466	1.2
314.07962	0.7
315.08582	43.9
316.08954	1.4
325.07080	3.7
328.05698	0.6
331.04547	0.9
337.26917	0.4
343.08087	14.0
343.12225	0.5
344.08142	0.5
346.06866	0.5
361.05307	0.6
361.09082	4.3
361.13168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0912
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
50.57393	0.4
55.01851	0.5
57.03415	0.4
67.31972	0.3
68.99780	6.9
69.47020	2.7
84.02085	0.3
91.05463	0.6
98.21291	1.1
99.00801	1.2
100.58674	0.3
105.07013	0.4
107.04947	1.3
109.02803	0.6
112.01565	1.4
121.06462	0.4
123.97812	0.4
127.00248	1.2
133.02811	1.1
135.04424	1.2
136.05161	0.6
137.02342	0.7
139.00237	3.0
139.03745	0.3
139.07536	0.3
140.01044	0.4
147.04393	0.7
149.02310	0.8
149.05922	0.9
150.03122	1.3
151.07524	2.3
153.05376	0.4
154.99835	0.5
161.05937	2.0
162.06738	0.4
163.03877	4.9
164.04678	2.0
165.05481	4.1
166.99748	2.3
167.07025	1.8
168.00516	9.0
168.07716	0.4
169.01282	2.6
177.05457	0.6
178.06218	22.9
179.07008	5.7
180.07741	1.7
185.00784	10.8
186.01561	8.1
191.06841	0.3
193.90860	0.4
194.02126	0.4
194.09322	2.8
195.10085	1.0
205.04916	1.1
215.03386	0.5
219.02855	0.5
229.04881	0.7
232.03680	2.6
233.04338	0.6
237.71678	0.4
243.02859	1.1
244.03758	0.3
247.02235	0.5
257.04440	0.9
258.04962	0.4
259.05933	1.0
260.03064	1.4
260.05481	0.3
271.02328	1.2
275.05469	1.9
285.03906	2.3
287.05310	0.4
297.03833	0.9
297.07053	0.4
299.01865	0.9
299.05472	0.9
300.02585	0.4
300.06168	0.4
301.07040	0.4
303.04913	4.9
305.09991	0.3
313.03171	2.0
314.03934	0.6
315.04953	1.9
315.74582	0.3
317.06335	0.6
328.05646	2.2
329.06586	1.3
330.07205	0.8
331.04410	29.0
332.04782	1.5
345.06027	0.9
346.06784	17.0
347.07016	0.7
361.09094	100.0
362.09418	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	361.0908
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.94956	0.3
55.01835	0.4
57.03390	0.3
57.06129	0.3
59.90968	0.3
66.62695	0.3
68.99409	0.4
68.99782	7.5
69.43563	3.0
70.23354	0.3
71.27758	0.3
77.47761	0.3
81.07043	0.7
84.02103	0.4
85.35543	0.3
95.04945	0.4
95.36743	0.3
99.00786	0.8
103.59213	0.3
107.04951	1.4
112.01602	1.5
118.50019	0.3
121.06461	0.7
123.04364	0.3
123.08068	0.4
127.00282	1.1
133.02812	1.3
133.06494	0.4
135.04424	1.2
137.05946	0.6
139.00249	3.6
139.03860	0.6
139.07523	0.6
140.01009	0.4
147.04382	0.9
149.02225	0.3
149.05949	0.6
150.03114	1.1
151.03784	0.4
151.07513	2.0
154.99783	0.3
161.05949	1.5
162.06676	0.4
163.03871	5.0
164.04677	1.8
165.05476	4.2
166.99718	2.3
167.07021	1.3
168.00520	8.4
169.01294	2.1
177.05458	0.6
178.06227	23.9
179.06998	6.4
180.07776	1.4
185.00781	9.6
186.01569	9.1
194.09383	3.5
195.02844	0.7
195.10138	0.7
204.04283	0.5
205.04980	0.8
213.18588	0.3
215.03311	0.6
216.98799	0.3
219.02873	0.5
229.04953	0.6
232.03654	2.3
233.04376	0.5
243.02914	1.0
245.04279	0.4
247.02426	0.7
247.05936	0.4
257.04480	0.9
259.06033	0.6
260.03122	1.2
269.04407	0.4
271.02353	1.1
275.05316	1.6
285.04001	1.8
287.05481	0.6
297.03992	0.4
299.01840	0.8
299.05441	0.8
300.02545	0.5
300.06055	0.5
301.03296	0.8
301.06760	0.3
303.04947	4.2
313.03391	2.1
314.03995	0.5
315.05121	1.7
315.08258	0.5
317.06641	0.5
317.13681	0.3
328.05573	2.3
329.06314	1.4
330.07089	0.9
331.04431	29.7
332.04617	1.4
333.09305	0.4
339.80682	0.3
345.05945	0.6
346.06790	18.4
347.07129	0.8
356.77673	0.3
361.09113	100.0
362.09500	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	361.0912
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.03407	0.6
69.05551	0.3
85.02868	0.4
95.04949	0.4
123.04408	0.5
126.03111	0.9
130.70750	0.3
137.02319	1.1
137.05925	0.4
139.03867	0.8
146.03600	0.5
147.04324	0.5
148.05293	0.3
149.02301	0.6
150.03087	0.4
153.01791	3.4
154.80792	0.4
155.45300	0.3
161.05998	0.4
163.03903	1.4
164.04675	1.4
167.06982	0.5
174.02992	0.4
175.07414	0.4
177.01764	0.5
177.05455	0.4
178.06186	0.8
179.03397	2.5
181.06383	0.4
185.00832	0.4
187.03879	1.1
191.03375	1.3
192.04129	1.4
193.04965	1.4
194.05698	1.8
195.02937	0.9
200.04474	0.4
201.05455	0.9
203.03355	0.9
203.07039	0.4
205.05069	0.4
209.04483	0.8
213.05467	1.1
215.03348	2.7
215.14226	0.4
216.04124	0.8
217.05034	0.5
218.02055	0.5
219.02872	0.6
219.06377	0.4
220.03674	3.9
221.04318	0.6
223.02284	3.1
227.07077	0.8
228.04048	0.6
228.07646	0.4
229.04854	2.1
230.05669	0.5
231.06503	0.6
232.03557	0.4
233.04413	0.6
241.04930	2.4
243.02849	3.6
243.05151	0.3
243.06471	0.9
244.03589	0.5
245.00829	0.4
245.08109	1.0
247.06039	3.4
248.06169	0.6
253.01230	0.9
255.02805	0.7
257.04385	2.4
258.05292	1.3
259.05957	1.8
260.03204	0.5
269.04449	0.8
270.05295	0.4
271.02374	3.6
271.05502	0.7
272.06793	1.5
273.07419	1.7
275.05460	3.5
283.02350	1.1
285.03897	6.5
286.04529	1.6
287.05234	0.6
297.03934	2.0
298.04617	1.5
299.01941	3.2
299.05148	0.7
300.02530	2.2
300.06223	1.6
301.03745	0.7
301.06989	6.2
303.04953	18.1
304.05298	0.8
313.03217	1.7
314.04086	1.3
315.04910	6.6
328.05576	1.1
329.06494	2.5
331.04425	33.1
332.04697	1.7
346.06763	9.7
361.09106	100.0
362.09445	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	361.0913
Annotation	5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.40557	0.4
55.01874	0.4
68.99779	1.0
69.18556	0.3
76.48648	0.3
83.87004	0.3
87.54821	0.4
91.05453	0.5
95.05000	0.4
98.21541	0.8
111.08093	0.4
131.04840	0.4
133.02827	0.5
134.03596	0.4
137.02315	0.8
145.76131	0.3
149.05959	1.4
150.03061	0.4
153.01797	4.0
163.03862	1.2
165.05431	0.5
168.00562	0.5
171.61639	0.3
176.04720	0.4
177.05550	0.4
178.06238	1.8
179.03394	2.5
183.02872	0.6
184.16013	0.4
185.00816	0.9
185.06003	0.4
186.01541	0.5
187.03905	1.0
193.04985	0.7
194.05695	1.9
203.03406	2.9
204.04117	1.6
213.05437	0.8
215.03392	5.2
216.04109	0.6
217.04982	1.7
229.04903	2.8
230.05573	0.4
231.02867	6.1
232.03572	2.0
241.04910	1.2
243.00365	0.7
243.02858	13.6
243.06598	0.5
244.03566	1.7
247.05977	8.1
248.06407	0.6
253.05046	0.5
255.02704	0.8
257.04428	4.1
258.05124	0.6
259.05975	1.6
260.03082	1.1
268.03568	0.7
269.04355	1.1
270.05170	0.7
271.02368	8.7
271.05438	0.6
272.02759	0.4
272.06863	0.5
272.60391	0.4
273.07422	0.7
275.05508	2.9
282.05136	0.6
283.02283	0.4
283.05743	0.5
285.03894	10.7
286.04556	2.7
287.05511	0.9
288.02673	0.8
297.03903	1.3
298.04541	1.2
299.01785	2.5
299.05450	1.3
300.02802	0.7
300.06293	1.1
301.06989	11.6
302.04099	0.4
302.07413	0.7
303.04941	4.0
313.03381	11.1
314.03857	1.6
315.04956	1.0
316.02087	7.1
316.05203	0.2
317.02563	0.6
317.06512	0.7
317.13846	0.4
328.05716	4.6
329.06509	3.7
331.04425	33.0
332.04797	2.3
346.06766	23.1
347.07144	1.3
361.09103	100.0
362.09515	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	361.0912
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01865	0.7
70.01885	2.2
81.03358	0.4
83.01341	0.9
98.20708	0.5
99.00757	0.5
107.04928	2.8
135.04382	1.5
139.00240	1.3
139.03902	0.8
139.07457	0.6
140.01027	2.1
145.06453	0.4
147.04495	0.4
149.02301	1.7
149.05933	0.9
151.07533	1.1
161.02319	0.8
161.05963	0.8
163.03882	9.2
164.04665	5.5
166.74016	0.4
166.90341	0.4
167.06969	1.1
168.00510	1.4
169.01274	2.0
173.06027	0.5
177.05449	0.7
178.06227	32.2
179.06902	2.1
185.00792	1.7
185.02255	0.5
186.01582	7.5
186.03215	0.5
194.02090	1.0
194.09326	1.0
195.02831	0.4
201.05353	0.5
213.05444	0.5
215.03430	1.0
225.87476	0.4
229.04868	1.2
232.03612	3.1
233.04350	1.0
243.02855	1.5
245.04607	0.5
246.05247	0.4
247.02322	0.6
247.05971	0.7
257.04449	1.5
258.04959	0.4
259.06015	0.9
260.03152	1.3
267.02783	0.9
269.00812	1.1
271.02344	5.8
271.05527	0.7
275.05414	1.8
285.03836	2.6
286.04398	0.6
287.05676	0.5
288.02609	0.8
297.04034	0.5
299.01868	1.7
299.05380	0.5
300.02536	0.5
300.06329	0.5
301.03329	1.5
301.06827	0.7
303.04959	5.5
311.05469	0.5
313.03375	4.5
314.04044	1.2
315.04932	1.1
316.02151	1.2
317.06277	0.4
328.05789	1.3
329.02835	1.1
329.06525	1.4
331.04431	32.0
332.04755	1.7
345.05988	1.5
346.06790	13.4
347.07178	1.2
361.09122	100.0
362.09464	5.7
372.67871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0911
Annotation	Acerosin
Peak:m/z	Relative Intensity
52.98840	0.4
53.00313	0.5
53.03915	0.5
55.01865	0.8
55.05489	0.5
56.42094	0.4
56.50868	0.4
57.03392	0.4
67.05500	1.1
68.99777	2.4
69.03395	0.8
69.70779	1.9
69.71207	1.6
79.01821	0.6
79.05476	1.3
81.03390	1.4
81.07034	1.1
84.08121	0.7
89.75245	0.5
91.05437	1.5
93.07021	0.9
95.01328	1.1
95.04932	0.9
95.08625	0.8
97.02875	1.2
97.06483	0.5
105.07022	0.6
107.01278	2.3
107.04935	1.7
107.08572	1.0
109.02868	1.4
109.06463	0.7
111.04388	0.5
115.05471	0.9
118.04146	0.5
119.04913	0.9
121.02869	0.9
121.06440	0.5
123.00758	0.6
123.04408	0.9
125.02361	0.7
129.06984	1.4
131.04915	0.6
133.06433	0.8
133.10187	0.6
135.04414	1.1
137.02309	1.7
137.05991	1.1
139.00261	1.0
139.03873	2.4
139.07527	1.0
141.06949	0.7
145.06474	1.1
147.04376	1.5
149.02333	5.0
149.05972	1.5
151.07541	1.9
153.01768	2.3
153.05377	2.5
154.06232	0.6
155.04884	0.8
157.06450	2.8
159.08028	0.6
160.05212	0.7
161.05940	2.0
161.09653	0.7
163.03867	3.5
164.04686	5.8
165.01872	0.6
165.05402	1.4
167.03331	0.6
167.04880	0.7
167.07027	6.0
167.60257	0.5
168.00522	2.0
168.07788	2.1
169.01286	1.6
169.06471	0.7
171.04372	1.7
174.88338	0.5
175.03915	0.5
175.07544	1.1
177.05426	3.1
178.06236	8.3
179.03387	1.4
179.06999	4.8
180.07750	0.5
181.08536	1.2
182.02060	2.7
183.02892	8.4
183.04449	1.0
184.05167	0.7
185.00778	2.6
185.05957	3.4
186.01561	3.5
187.03856	1.0
189.05408	1.5
190.02341	0.6
191.03346	1.8
191.06989	1.4
192.07701	1.1
193.04947	3.1
194.02003	0.7
194.09216	1.1
195.06471	1.1
197.05942	1.0
199.03799	2.9
199.07536	0.6
201.05447	1.4
201.09117	0.6
203.07002	1.8
204.04218	0.7
205.04944	1.3
206.05699	1.2
207.04616	0.6
207.06448	0.8
210.08823	0.8
212.04597	0.6
212.08308	0.6
213.05479	3.3
214.06273	0.6
215.03375	1.6
215.07045	0.8
217.04993	0.8
221.08101	1.0
225.05383	0.9
227.03429	0.8
227.07001	1.2
228.04134	0.9
228.07785	0.7
229.04906	1.8
229.08652	0.5
230.05661	1.0
231.06494	4.8
232.03596	0.8
232.07275	1.3
233.04446	1.1
235.06018	1.4
236.06795	0.6
241.04895	4.0
242.05603	0.7
243.02876	2.3
243.06464	1.2
244.07274	1.0
244.16708	0.5
245.04338	0.7
245.08023	0.9
246.01607	0.6
246.08865	1.6
247.05890	1.0
254.05496	0.6
255.02769	1.0
255.06461	0.7
256.07285	1.5
257.04449	4.4
257.07205	0.5
257.08044	0.5
258.05222	2.6
259.05927	3.3
260.03143	0.7
260.06711	2.4
261.03937	3.3
261.07013	0.5
269.00818	0.7
269.04376	1.9
270.05145	0.7
271.02429	1.3
271.05975	1.0
272.06824	1.5
273.07446	1.6
274.08340	2.6
275.05478	1.5
283.02686	0.6
284.06723	1.0
285.03879	3.4
286.04681	2.4
287.05469	3.9
287.09000	1.0
288.06281	1.9
297.03818	0.8
298.04681	0.7
299.01743	1.7
299.05383	1.4
299.09140	0.9
300.02621	1.7
300.06235	2.3
301.03329	2.3
301.07013	3.6
302.07761	2.4
303.04922	5.5
305.10126	3.7
312.06244	0.8
313.03320	3.6
314.04071	1.5
315.04910	3.8
315.08563	1.8
316.02267	1.0
316.05704	9.6
316.09198	0.8
317.06479	1.6
317.10147	26.6
317.13647	1.7
318.07111	1.1
318.10611	1.2
328.05624	3.9
329.02951	0.9
329.06540	1.9
330.06873	0.7
331.04437	23.9
332.04611	0.7
332.08463	0.6
333.09628	10.7
343.08118	8.3
346.06766	14.5
347.07050	0.7
361.09119	100.0
362.09503	4.7
362.16101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04047	4.8
55.05502	34.4
59.04966	6.6
61.18179	5.9
67.05497	63.5
69.07068	32.0
69.81544	13.3
69.81957	25.5
71.04976	70.2
72.13979	5.8
78.24248	5.2
79.05473	64.0
81.07042	30.7
83.08601	16.4
85.48234	6.4
91.05464	22.1
93.07034	59.0
95.08595	27.3
97.06496	5.5
97.10152	27.1
105.07015	19.0
107.08591	40.8
109.10150	49.3
111.33977	5.7
119.08581	11.4
121.10131	58.9
125.09631	13.8
126.72386	5.0
131.08580	6.6
133.10161	6.2
145.10194	7.7
153.12686	45.7
155.10640	17.0
161.06265	6.3
163.03862	9.8
173.11708	100.0
175.11037	5.7
178.06262	24.3
179.07007	7.3
185.00618	6.2
186.01550	8.3
187.11011	5.7
189.11166	15.1
227.16385	7.7
257.19131	7.1
259.05731	7.7
275.19986	35.8
302.07190	9.5
329.06555	6.6
330.06906	35.3
331.04297	17.3
332.08444	8.2
345.09311	9.5
346.06702	18.9
360.07904	8.4
360.11557	61.8
361.09058	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0911
Annotation	Dibefurin
Peak:m/z	Relative Intensity
55.01850	0.6
67.05496	0.7
68.99780	8.1
79.05465	0.8
81.07040	0.7
91.05463	0.6
93.07027	0.7
95.04951	0.7
95.08609	0.7
97.02889	0.6
97.06562	0.6
98.20698	1.5
99.00813	1.5
103.05410	0.5
105.06985	1.0
107.04938	2.3
107.08555	0.7
112.01569	1.1
119.08524	0.7
121.06509	0.6
127.00239	1.9
128.89522	0.5
133.02846	1.2
135.04382	1.1
137.02322	2.1
137.05916	1.0
139.00266	3.0
139.03880	1.2
139.07516	0.6
147.04381	0.7
150.03104	1.8
151.07521	2.8
153.01901	0.6
153.05444	1.0
161.05937	1.7
163.03894	6.2
164.04654	1.8
165.05472	3.6
166.99770	2.5
167.06998	2.5
168.00516	6.9
168.07863	0.7
169.01311	2.0
172.05222	0.6
178.06227	22.6
179.07011	5.7
180.07805	2.0
185.00800	10.1
186.01578	9.7
187.03746	0.7
194.09404	3.1
195.02914	0.8
195.10146	1.2
205.04936	1.5
213.05385	0.6
229.04950	0.7
232.03706	3.9
243.02917	1.2
245.04536	0.6
247.02347	0.6
247.05775	0.6
257.04468	1.2
259.05911	0.7
260.03049	1.2
271.02231	1.8
275.05429	1.8
284.43597	0.5
285.03879	3.2
287.05582	0.5
297.03915	0.9
299.01852	0.9
299.05356	0.9
300.06152	1.1
301.03644	0.6
301.06943	0.9
303.04892	6.0
305.10220	0.7
312.06198	1.0
313.03369	2.2
314.03943	1.0
315.04962	1.3
315.08389	0.7
317.06494	0.8
317.13855	0.8
328.05792	1.7
329.06558	1.1
331.04428	29.8
332.04779	1.4
333.08688	0.9
343.07846	1.6
346.06787	19.6
347.07184	1.5
361.09116	100.0
362.09427	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	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58655	2.6
53.03922	5.0
55.05504	20.0
62.44413	2.7
66.02916	2.6
67.05496	35.0
68.99776	12.6
69.03432	4.8
69.07053	20.0
69.72804	20.0
71.04659	3.2
71.04990	30.5
73.06552	5.6
79.05475	41.0
81.07049	20.3
83.08601	9.5
87.08115	2.6
91.05470	19.0
93.07040	40.1
93.81238	3.1
94.51115	2.9
95.04948	8.5
95.08572	21.2
97.06509	8.4
97.10133	17.1
104.67616	2.8
105.06982	13.7
107.04941	6.0
107.08569	26.7
109.06465	8.9
109.10137	22.0
117.06982	5.4
119.08549	8.0
121.06400	4.4
121.10145	29.1
123.04435	18.0
123.11684	4.4
125.09583	10.3
131.40279	2.9
133.10101	7.1
135.04381	6.0
137.05946	9.6
137.09508	4.1
138.01845	4.1
138.05472	27.1
140.07120	3.1
145.10054	4.9
149.05962	6.5
149.09688	3.1
151.07455	3.8
153.12721	21.0
163.03856	9.2
164.07027	5.8
165.05386	3.5
166.99731	4.2
167.02141	5.0
167.05728	4.8
167.07019	40.2
168.00548	3.3
169.01237	4.5
173.11714	46.5
178.06224	27.0
179.06926	7.6
180.06508	7.5
181.07259	3.9
181.08620	3.7
182.08139	20.1
185.00784	13.3
185.03174	3.5
186.01593	10.2
189.11121	15.1
194.09303	5.5
196.09665	13.6
201.05502	3.6
206.08096	11.5
220.09599	4.7
224.09164	12.9
238.10687	9.6
259.05649	4.7
270.04568	5.7
271.05804	3.4
274.07956	3.0
275.05063	6.6
275.20026	16.8
299.02078	2.9
302.07407	5.9
313.03357	5.0
315.04724	5.6
317.06229	4.3
318.13324	17.5
323.28397	3.2
323.45435	2.9
329.06461	8.2
330.06854	41.8
331.04269	27.4
331.07675	3.5
332.08362	20.9
345.05637	5.7
345.09247	8.3
346.06686	18.0
348.85251	4.8
360.07922	20.3
360.11600	69.9
360.15527	5.3
361.09033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.6
55.05495	24.4
56.40381	3.4
57.03416	5.1
59.05003	6.4
67.05504	73.1
68.99773	9.1
69.03426	4.4
69.07061	14.6
69.84377	24.1
72.30069	4.2
76.66169	3.9
79.05495	23.0
81.07052	23.4
83.08613	12.6
85.02866	4.9
85.06521	5.2
88.43595	3.3
91.05469	20.7
93.07034	24.7
95.04939	7.5
95.08605	20.2
97.06539	8.9
97.10168	18.5
98.20802	6.1
98.47853	4.0
105.07011	8.8
107.04932	6.7
107.08585	33.8
109.10142	69.7
117.07024	7.0
119.08551	12.4
121.10176	5.0
123.08073	5.5
125.09609	24.7
131.08572	5.3
133.10094	7.0
135.08081	6.4
137.09627	4.1
139.00194	3.8
141.80833	4.1
145.10098	5.0
147.11644	6.1
149.09578	4.3
155.10646	14.7
161.05956	6.3
163.04066	4.8
168.00475	5.2
173.11720	98.4
178.06229	25.5
185.00729	9.7
186.01620	11.9
187.13261	51.2
203.12704	23.4
232.03557	5.6
257.18982	8.0
270.04715	6.7
275.05350	4.5
275.19870	18.7
284.06485	4.4
302.07324	9.0
307.22491	4.6
326.97183	5.1
329.06482	11.1
330.06860	41.8
331.04300	29.9
332.08347	16.5
334.50272	4.4
345.09137	12.3
346.06619	20.6
360.07782	16.1
360.11526	64.3
361.09036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31776	2.4
53.03941	5.1
55.01871	9.4
55.05249	3.5
55.05504	48.9
57.03428	6.9
57.07065	3.1
59.04994	38.8
65.34856	3.2
67.05152	3.7
67.05497	55.6
67.94411	2.5
68.99784	8.2
69.03417	9.4
69.06700	4.6
69.07058	68.3
69.38124	2.9
70.87105	4.6
70.87453	6.3
71.04983	42.0
73.02898	6.9
79.05481	49.2
81.03414	15.9
81.07044	36.3
83.04969	7.0
83.08614	27.6
85.06540	4.2
86.10223	2.9
91.05470	23.7
93.07044	35.8
95.04982	15.9
95.08591	18.3
97.06515	31.1
97.10161	44.9
105.07037	16.7
107.04952	8.1
107.08596	26.6
109.06483	8.2
109.10144	15.9
111.08092	4.1
115.07560	27.5
117.06989	8.1
119.08578	11.1
121.06493	5.0
121.10111	15.1
123.08106	3.2
125.09618	36.3
129.01163	3.1
129.06960	5.2
131.08560	6.1
133.06548	2.9
133.10085	6.6
135.08049	5.7
135.11708	3.4
137.09630	7.4
139.00192	5.3
141.07021	2.9
143.08549	3.0
145.10100	5.1
147.11687	3.4
149.09605	4.4
151.07539	2.8
153.12744	7.0
159.11681	5.3
161.05992	3.5
163.03873	5.8
164.04466	3.1
164.65092	2.7
168.00558	5.7
173.11732	15.2
173.13104	2.8
175.11218	3.7
178.06264	20.5
179.06914	5.3
185.00819	8.2
186.01575	6.9
189.11235	22.9
194.09367	3.2
204.13750	2.7
219.13834	3.4
223.13264	10.7
232.03532	4.4
237.14812	4.4
259.05530	4.8
270.04639	4.1
273.18439	5.6
275.20047	6.0
298.04449	3.3
302.07199	4.5
303.04807	3.8
315.04565	4.5
325.20035	3.4
329.06470	7.5
330.06805	37.4
331.04370	24.5
331.07932	4.5
332.08438	10.2
345.09113	9.8
346.06631	19.3
360.07825	14.1
360.11542	56.3
360.23996	6.1
361.09012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28734	5.2
53.03936	7.7
54.16602	6.3
55.01869	6.9
55.05503	43.0
57.03406	8.8
59.05000	27.4
67.05491	52.1
68.99770	16.2
69.03406	8.1
69.06764	6.2
69.07061	78.4
69.28401	5.6
70.83710	14.3
71.04984	46.6
79.05480	44.8
81.03400	8.0
81.07040	34.8
83.08604	28.2
85.06515	6.6
91.05459	29.3
93.07038	37.1
95.04927	13.4
95.08578	21.6
97.06528	35.2
97.10160	32.8
105.06996	17.2
107.04939	11.4
107.08559	26.3
109.06505	14.4
109.10127	25.0
115.07568	9.6
117.07037	10.6
119.08572	12.3
121.06530	7.1
121.10132	28.6
123.08040	5.9
125.09592	18.8
129.99791	6.8
131.08519	16.2
132.90810	6.6
133.10094	7.5
135.08073	8.5
135.11674	7.0
138.98579	6.6
143.08580	7.1
145.10097	9.0
153.12747	9.1
161.13216	6.2
163.03870	7.2
167.02040	6.4
168.00569	9.5
173.11728	18.7
178.06242	28.0
179.06898	7.7
186.01559	14.1
189.11032	12.6
270.04788	12.8
273.18518	7.1
275.20090	11.7
302.07376	8.7
329.06458	10.7
330.06824	40.0
331.04407	27.7
332.08353	13.2
345.09305	12.3
346.06750	22.4
360.07782	15.6
360.11655	65.3
361.08975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1121
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
68.99783	0.8
70.29169	0.8
70.29558	0.8
71.50999	0.3
91.05477	0.3
97.06522	1.1
107.04900	0.4
107.08622	0.3
111.04423	0.8
123.00798	0.6
125.02442	0.3
129.06929	0.5
131.04872	0.5
132.05682	0.6
135.04318	0.6
137.05974	0.9
139.00258	0.5
140.04666	0.5
149.05952	0.5
151.03871	0.4
152.01054	0.5
160.05157	0.3
161.02313	0.4
162.06638	0.3
163.03870	1.6
167.03375	8.5
167.07068	0.7
169.01369	0.4
169.06427	0.5
169.36665	0.3
171.08069	0.4
175.07518	0.5
177.01875	0.7
177.05475	0.8
178.06244	2.9
179.06946	0.4
184.03702	1.9
185.06023	0.4
191.03307	0.4
192.04137	1.0
197.05975	0.6
201.09131	0.3
203.06955	0.3
205.05087	0.4
213.05510	0.7
216.04291	0.4
217.04985	0.3
225.05479	0.6
227.06973	2.1
230.05717	2.1
231.02792	0.4
231.06618	2.0
238.06076	0.3
240.04124	0.5
241.04965	0.8
241.08565	0.8
242.05656	1.1
243.06577	1.0
245.08115	0.3
246.05313	0.6
252.04123	0.5
253.04869	0.7
254.05722	0.9
255.06490	6.3
256.07147	0.4
257.04364	0.6
257.07974	0.7
258.05264	1.4
259.03430	0.5
259.05981	3.3
265.04990	0.4
266.05710	0.4
267.06458	2.1
268.03625	1.0
268.07202	0.6
269.04443	3.5
269.08072	4.0
270.05164	1.1
270.08597	0.7
271.13272	0.4
273.07544	1.8
274.04639	1.1
281.04425	0.8
281.08081	0.6
282.05170	1.7
283.05969	7.5
284.06656	0.7
285.07544	2.1
286.04581	0.9
295.06012	3.4
296.03601	0.6
296.06607	2.0
297.03925	1.9
297.07547	5.5
298.04712	1.3
298.08289	3.4
299.05533	0.4
299.09134	0.6
300.06281	1.6
301.03687	0.6
301.06967	4.3
303.12183	0.9
308.06723	0.4
309.07373	0.6
310.04599	0.7
311.05478	5.2
312.06082	1.0
313.07031	7.0
313.14474	0.4
314.04068	1.6
314.07513	1.1
315.08633	2.8
316.05817	0.6
316.09048	0.3
325.07028	7.0
326.07770	6.4
327.08542	2.2
328.05716	1.2
328.09445	1.5
329.06522	20.3
330.06934	1.6
331.08112	3.0
343.08099	4.1
344.08835	5.1
359.11218	100.0
360.07474	0.7
360.11578	7.6
373.38202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1116
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
54.33320	0.5
60.29225	0.4
61.77521	0.4
69.52239	2.5
69.52663	1.5
88.38100	0.5
88.60570	0.4
102.71461	0.5
107.04932	1.2
123.00769	1.0
123.92581	0.5
130.33438	0.5
132.20610	0.4
135.04298	0.5
137.02303	0.9
137.05952	1.2
147.10648	0.5
149.05957	0.5
152.01021	0.5
153.01799	2.1
163.03882	2.7
164.04692	0.5
166.02592	0.5
167.03369	2.0
167.07021	0.8
177.05424	0.9
178.06213	9.6
179.06992	0.7
192.04144	0.5
192.07884	0.5
202.06145	0.7
208.25903	0.5
213.05557	0.6
217.04881	0.8
230.05714	4.5
231.06421	0.6
240.04120	0.6
241.04930	2.0
242.05731	1.1
245.04613	0.6
245.08047	1.2
254.02055	1.5
255.06529	0.6
257.08029	0.7
258.05206	3.8
268.03647	1.5
269.04413	10.1
270.04996	0.9
271.02475	0.8
273.07513	2.2
282.01657	0.8
283.02478	1.2
283.05978	2.7
285.07394	0.6
286.04764	4.2
295.06012	0.7
296.03049	1.0
297.03885	1.9
298.04745	3.0
299.01715	1.4
299.05078	0.7
299.08865	0.7
301.07025	9.7
302.07504	0.6
311.05377	1.6
312.06097	1.1
313.07019	1.3
314.04163	9.9
315.04651	1.0
315.08627	0.9
316.09290	0.6
326.07767	1.3
327.08368	0.8
329.06497	55.5
330.06836	3.0
343.08035	1.5
344.08835	22.0
345.09308	1.1
359.11185	100.0
360.11438	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	359.1117
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
54.46138	0.2
59.77180	0.2
59.87936	0.2
68.99805	0.3
78.33893	0.3
84.76763	0.3
98.20654	0.5
107.04940	0.7
134.03586	0.2
135.04376	0.5
137.05989	1.5
149.05922	0.3
151.03862	0.6
161.02289	0.7
163.03870	1.7
167.03348	2.1
167.07016	1.1
177.01755	0.7
177.05434	0.3
178.06221	5.6
184.03656	0.8
185.05934	0.3
192.04060	0.6
197.04364	0.4
202.06236	0.5
203.07045	0.2
210.03128	0.2
211.29216	0.2
213.05305	0.5
214.06335	0.3
217.04988	0.7
225.05423	0.3
229.04982	0.3
230.05717	6.4
231.06468	0.7
240.04198	0.3
241.04909	1.7
242.05733	0.9
243.02974	0.4
243.06346	0.3
244.03632	0.4
245.04427	0.7
245.08110	0.5
254.02054	0.4
255.06497	1.9
257.07977	1.1
258.05225	4.5
259.05923	0.4
268.03809	0.5
269.04419	9.7
270.05023	0.5
271.02246	0.5
271.06064	0.3
273.07559	4.1
282.05215	0.3
283.05936	2.7
285.07568	0.9
286.04700	3.5
295.05972	0.6
297.03888	1.6
297.07492	1.1
298.04663	1.2
298.08124	0.6
299.01996	0.4
299.05466	0.5
299.09094	0.5
300.06000	0.3
301.07016	12.9
303.12369	0.3
309.58203	0.3
311.05469	1.9
312.06250	0.5
313.07141	1.5
314.04172	6.0
315.08572	0.7
325.06882	0.4
326.07828	1.2
327.08557	1.0
328.05624	0.3
329.06509	66.1
330.06842	0.7
343.08252	1.7
344.08865	16.2
359.11197	100.0
360.11581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1115
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.25353	0.1
55.01847	0.1
57.03431	0.3
67.05492	0.2
68.99779	0.4
69.07040	0.2
71.62295	0.2
79.05518	0.2
81.07024	0.5
85.02915	0.2
85.06505	0.2
86.09687	0.7
87.10001	0.2
91.05432	0.2
93.07011	0.3
95.08579	0.2
105.03384	0.2
105.07027	0.2
107.04947	1.0
109.06483	0.2
109.10151	0.1
111.04424	0.2
119.08578	0.2
121.02825	0.1
121.06442	0.1
121.10122	0.1
123.00749	0.3
125.02329	0.2
125.06017	0.2
129.06953	0.2
133.02820	0.2
133.06465	0.2
135.04399	0.8
137.05952	1.6
138.03127	0.2
139.03860	0.3
139.07538	0.2
140.04659	0.3
147.04396	0.2
149.02310	0.3
149.05884	0.3
151.03905	0.8
151.04921	0.1
151.07500	0.1
152.00993	0.2
153.05499	0.3
157.06425	0.2
160.27596	0.1
161.02356	0.9
161.05945	0.3
162.06697	0.1
163.03885	2.9
166.02596	0.1
167.03360	3.3
167.07025	1.2
169.01259	0.2
171.04384	0.1
173.06017	0.2
177.01776	0.8
177.05450	0.5
178.06221	6.5
179.03416	0.2
184.03644	0.9
185.05946	0.5
187.07399	0.1
189.01826	0.2
192.04181	0.8
193.04970	0.7
197.04407	0.6
197.06012	0.2
201.05568	0.1
202.06259	0.3
203.07027	0.3
204.04097	0.2
205.04854	0.2
212.04742	0.3
213.05510	0.8
214.06224	0.3
215.06923	0.2
216.04166	0.6
217.04967	0.9
217.08586	0.4
219.06465	0.4
225.05437	0.5
226.02368	0.1
227.06970	0.4
230.05690	7.4
231.06396	1.1
240.04150	0.3
241.04918	2.5
242.05711	1.5
243.02827	0.5
243.06425	0.4
245.04376	0.9
245.08104	1.0
254.02074	0.6
254.05782	0.2
255.06499	1.7
256.07196	0.3
257.04285	0.2
257.08084	1.4
258.05222	5.2
259.05798	0.6
268.03690	0.4
269.04404	12.8
270.04993	1.1
271.02414	0.4
271.05933	0.4
273.07538	6.4
274.07953	0.3
282.01563	0.4
282.05185	0.3
283.02545	0.4
283.05917	4.0
284.06482	0.4
285.04001	0.2
285.07523	0.7
286.04663	4.1
287.05157	0.4
295.05984	0.6
296.03186	0.3
297.03909	2.3
297.07529	1.0
298.04657	1.6
298.08234	0.6
299.01782	0.4
299.05453	0.7
299.09152	0.4
300.06256	0.3
301.07010	15.6
302.07361	0.8
303.12073	0.3
311.05438	3.0
312.06039	0.7
313.06967	2.3
314.04147	8.3
314.07013	0.3
315.04553	0.5
315.08597	0.9
316.09225	0.2
325.07129	0.8
325.10236	0.2
326.07828	1.4
327.08502	1.4
328.05701	0.3
328.09283	0.2
329.06491	77.0
330.06808	3.8
330.10724	0.2
331.07791	0.3
331.11514	0.2
343.08081	2.4
344.08838	17.9
345.09195	0.6
355.97479	0.1
359.11176	100.0
360.11511	6.5
360.16086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.111
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
54.16491	0.2
55.05487	0.2
62.74022	0.2
63.55439	0.2
69.07037	0.3
75.11998	0.2
78.10342	0.2
79.05470	0.4
81.07037	0.5
85.02888	0.2
93.06982	0.3
95.04950	0.5
95.08563	0.3
97.02921	0.2
98.20569	0.4
104.20049	0.2
105.06969	0.3
107.04922	0.9
107.08627	0.3
111.04416	0.2
119.59383	0.2
133.06467	0.3
135.04391	0.7
137.05956	1.8
139.07458	0.3
147.04385	0.3
151.03828	0.6
152.00998	0.3
161.02371	0.5
161.05992	0.4
162.06714	0.2
163.03891	2.4
167.03392	2.3
167.07063	0.8
169.01306	0.4
171.88551	0.3
177.01790	0.7
177.05437	0.7
178.06221	6.7
179.06831	0.3
184.03603	0.6
185.06003	0.5
191.06873	0.3
192.04150	0.6
193.04860	0.4
197.04372	0.3
204.63129	0.3
213.05434	0.6
214.06160	0.4
216.04105	0.3
217.04988	0.7
217.08455	0.3
219.06476	0.4
225.05290	0.2
227.06966	0.3
230.05707	5.9
231.06409	1.1
237.14476	0.3
240.04234	0.3
241.04903	1.5
242.05708	0.9
243.02924	0.4
243.06493	0.4
245.04373	0.7
245.08122	0.5
253.04854	0.3
254.02124	0.6
255.06441	1.5
256.07004	0.3
257.08072	1.3
258.05234	4.0
259.05939	0.5
268.03677	0.4
269.04419	11.9
270.04980	1.0
271.02420	0.5
271.06027	0.2
273.07523	5.2
274.07849	0.3
282.01773	0.4
282.05051	0.4
283.02719	0.5
283.05981	3.1
284.06250	0.5
285.04123	0.4
285.07550	0.6
286.04675	3.7
287.05151	0.4
295.06033	0.9
296.03412	0.3
297.03925	1.9
297.07520	0.8
298.04681	1.4
298.08167	0.5
299.05518	0.5
299.08704	0.4
301.07028	13.6
302.07468	0.6
303.12405	0.5
303.92111	0.3
311.05441	2.5
312.06171	0.8
313.06921	2.0
314.04153	6.9
315.04623	0.5
315.08499	0.6
325.07022	0.6
326.07739	1.5
327.08560	1.3
328.05756	0.4
328.09390	0.3
329.06516	67.1
330.06836	4.1
331.08170	0.4
343.08002	2.3
344.08853	15.8
345.09149	1.0
359.11200	100.0
359.22922	1.8
359.73300	0.4
360.11572	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1115
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.03408	0.4
59.67851	0.2
67.05466	0.3
68.04670	0.2
70.23412	0.2
70.78594	0.2
70.78908	0.4
75.58545	0.2
79.64796	0.2
80.16789	0.2
81.07028	0.4
83.49112	0.2
85.02862	0.3
85.06502	0.4
85.89669	0.2
93.07010	0.6
95.04912	0.2
95.08548	0.3
97.06469	0.7
107.04963	1.0
107.08520	0.3
109.10122	0.3
121.10105	0.3
122.20288	0.2
123.00790	0.4
133.06215	0.2
133.10089	0.4
135.04367	0.8
135.11658	0.2
137.05992	1.6
147.04303	0.3
149.05910	0.4
151.03885	1.3
152.42250	0.2
153.05530	0.3
160.05128	0.2
161.02319	0.7
161.05997	0.4
163.03886	2.4
167.03397	2.0
167.06987	0.9
177.01776	0.8
177.05362	0.3
178.06244	5.8
179.06879	0.3
181.05066	0.2
184.03665	0.9
189.01855	0.3
189.09195	0.2
192.04160	0.4
193.04828	0.6
197.04362	0.5
197.06009	0.4
201.05484	0.3
202.06290	0.3
204.04195	0.3
213.05472	0.5
216.04146	0.3
217.04959	0.6
217.08647	0.4
225.05397	0.2
227.06999	0.4
230.05716	5.6
231.06485	1.0
241.04865	2.1
241.06795	0.2
242.05646	1.2
243.02792	0.5
243.06459	0.3
245.04439	0.7
245.08046	0.7
254.02011	0.4
255.02982	0.3
255.06473	1.4
256.07123	0.3
257.08020	1.2
258.05243	4.7
259.05734	0.6
267.06644	0.3
268.03601	0.5
269.04419	11.4
270.04932	0.6
271.02148	0.3
271.05994	0.4
273.07535	5.1
274.04803	0.2
274.08005	0.3
279.02734	0.2
282.01700	0.5
282.05286	0.4
283.02670	0.4
283.05960	3.6
284.06454	0.4
284.11755	0.2
285.04199	0.2
285.07541	0.7
286.04715	3.4
287.05408	0.4
295.05872	0.8
297.03925	2.1
297.07483	0.8
298.04651	1.5
298.08276	0.8
299.02206	0.3
299.05441	0.9
300.06262	0.3
300.09448	0.3
301.07028	14.0
302.07349	0.4
303.12305	0.3
311.05414	2.6
312.06097	0.6
313.07022	1.6
314.04166	7.1
314.07239	0.3
315.04727	0.6
315.08569	0.9
316.05872	0.2
316.09238	0.4
325.07013	0.5
326.07837	1.0
326.18991	0.2
327.08603	1.0
328.05563	0.3
328.09186	0.4
329.06516	67.2
330.06866	3.2
331.08093	0.6
331.11713	0.2
343.08142	1.7
344.08871	15.6
345.09268	0.4
359.11206	100.0
360.07544	0.2
360.11539	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01855	2.3
55.05505	37.6
57.03431	7.7
57.06844	1.6
57.07070	22.2
67.05495	36.4
69.07059	46.6
70.06577	10.9
70.07394	2.3
71.06904	2.3
71.08615	13.2
79.05482	23.6
81.07043	40.2
83.04983	2.2
83.08607	33.3
85.06539	1.9
85.10173	8.0
88.07613	15.6
91.05456	4.6
93.07030	29.3
95.08593	41.0
96.66779	1.7
97.06509	13.7
97.10163	21.7
101.06006	1.8
102.09162	4.3
103.03929	5.2
105.06971	2.7
105.76073	1.7
106.08659	9.3
107.08564	24.3
109.10140	24.5
111.08050	6.8
111.11706	6.0
115.07561	2.4
120.59212	1.8
121.10120	44.9
123.11685	7.0
125.09615	4.3
125.13241	3.1
129.05455	2.7
135.11670	30.4
137.13263	2.4
139.11133	3.5
143.10626	2.0
149.13232	16.5
151.14761	3.5
153.12714	1.9
163.14764	8.3
165.16385	4.4
167.14323	1.9
177.16333	4.6
184.17691	1.5
191.17863	3.0
196.23949	1.6
247.24173	36.1
265.25259	26.8
283.26151	2.3
336.04407	1.7
339.28925	19.0
339.34375	5.0
357.35495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0754
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01857	0.8
55.05491	1.6
57.03421	1.3
67.05477	2.8
68.99783	16.3
69.03412	1.0
69.07051	1.7
69.44173	7.4
71.04981	0.8
79.05468	2.5
81.03416	0.9
81.07035	3.8
85.02898	1.7
91.05460	2.4
93.06999	2.4
95.04961	1.0
95.08583	2.6
97.02859	1.1
97.06511	6.6
98.21541	1.0
103.05436	1.5
105.07003	3.7
107.04929	2.8
107.08560	1.5
108.21616	0.8
109.02862	0.9
109.06429	1.3
111.00758	1.1
115.05451	1.6
115.48841	0.7
119.04917	0.9
119.08562	1.8
121.06498	1.0
121.10116	1.0
123.11675	1.0
131.04866	1.7
131.08469	0.8
133.06429	2.6
133.10112	1.8
134.07289	0.8
135.04390	5.0
135.11621	0.8
135.63913	0.7
137.05962	2.3
139.00233	9.4
144.05672	1.2
147.04408	4.4
147.11673	2.0
149.05969	2.1
150.06781	1.9
151.03828	1.0
151.07503	1.3
161.05951	3.6
162.06741	5.2
163.03882	8.9
165.09038	3.8
165.12724	1.3
167.03488	0.9
167.07019	2.2
171.04327	1.7
175.03976	2.2
175.07516	1.8
177.05481	4.0
178.06238	13.0
179.03334	1.1
179.07034	5.5
187.03819	1.3
189.05447	1.9
191.03365	10.0
191.07014	4.0
192.07790	1.0
193.08542	3.2
195.06465	1.3
199.03893	1.7
201.05363	1.6
203.03394	2.6
205.04903	3.6
205.08582	1.4
206.05721	4.4
207.06416	1.1
213.01793	1.0
214.06134	1.6
215.03368	1.3
215.07016	1.6
216.04160	1.0
217.04892	2.5
218.05621	1.7
219.06566	1.0
228.04105	2.7
229.04971	3.6
230.05742	1.6
231.02844	9.3
242.05684	1.6
243.06476	2.8
245.04399	3.2
246.05193	17.5
247.05753	1.0
256.03470	1.6
257.04419	3.1
259.02344	8.7
259.04922	1.0
259.05997	0.7
260.06711	1.8
269.04398	2.4
270.05240	3.7
271.05832	1.7
271.13318	0.8
273.03918	2.1
274.04666	31.8
277.03448	4.4
283.02396	1.3
284.03012	3.6
285.03882	4.4
285.07153	1.1
288.06198	3.0
289.06741	0.8
292.05737	6.9
299.05493	2.4
301.03329	5.9
301.06839	1.2
312.02747	1.2
312.97708	1.0
313.14212	1.0
315.04977	1.1
316.05756	17.0
327.04984	15.8
329.02979	1.3
329.06366	5.6
331.08063	91.1
332.08322	3.1
341.13855	3.5
344.05167	4.1
344.08936	1.7
359.07529	100.0
359.11166	7.3
360.07916	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	357.2419
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
51.02351	1.1
53.03923	4.0
55.01846	4.1
55.02088	0.9
55.05503	16.9
55.34986	0.9
57.03412	2.2
57.07052	2.9
65.03923	2.1
67.05148	1.7
67.05495	34.0
68.05827	1.1
69.03403	2.6
69.06744	1.2
69.07058	14.5
69.36686	10.4
71.01049	0.8
71.01344	10.2
71.04971	3.0
72.63432	0.8
75.29520	0.9
79.05481	27.9
80.05855	1.0
80.06293	0.9
81.03404	15.0
81.07050	35.0
82.07372	1.4
83.04980	4.4
83.08610	5.8
83.66812	1.0
85.06510	3.0
90.02624	0.9
91.05458	37.2
93.07031	36.2
94.07349	1.0
95.04958	12.2
95.08014	1.5
95.08594	27.5
96.46184	0.9
96.47276	0.8
97.02882	11.7
97.06500	5.1
97.10145	3.8
98.21525	1.4
99.04442	2.5
103.05459	2.1
103.39890	1.1
105.07014	36.7
106.07367	1.1
107.04942	6.5
107.08582	20.2
109.06477	5.0
109.10130	12.7
111.04408	1.7
111.08019	1.4
115.05427	3.6
116.06227	1.7
117.07003	23.7
119.04903	5.1
119.07742	1.7
119.08566	28.0
121.06493	7.0
121.10128	14.2
123.04417	3.1
123.08033	3.9
123.11686	2.6
125.09590	1.8
128.06187	4.2
129.06978	19.2
130.07744	2.0
131.04907	21.8
131.08553	25.6
132.05568	1.0
132.08887	2.0
133.06479	8.1
133.09180	1.4
133.10109	16.4
135.08000	4.8
135.11664	8.3
137.05943	2.1
137.09583	2.9
141.06982	5.6
142.07739	3.6
143.08546	15.5
145.06456	15.6
145.10114	20.0
147.04376	1.5
147.08040	7.9
147.11670	13.0
149.05920	1.6
149.09619	4.4
149.13280	4.4
151.07446	1.4
153.07004	1.6
154.07764	1.6
155.08525	9.9
157.06496	6.8
157.10107	11.8
159.08037	18.0
159.11655	16.1
161.05939	1.1
161.09618	6.3
161.13225	8.7
163.07535	1.4
163.11174	2.5
163.14746	2.0
165.07014	1.4
165.09180	1.2
166.07651	1.2
167.08542	4.9
168.09314	2.0
169.06438	1.2
169.10081	9.8
171.08072	6.7
171.11670	10.5
173.09593	13.7
173.13242	11.4
175.11172	4.0
175.14758	2.4
177.09091	1.1
177.12744	2.1
179.08420	1.6
181.10074	5.0
182.10828	1.2
183.08084	1.4
183.11679	6.5
185.09624	4.8
185.13245	8.3
186.10324	1.4
187.11195	8.1
187.14792	5.7
188.11897	1.5
189.12686	2.9
191.10620	1.8
195.11658	4.2
196.12181	1.0
197.09613	1.3
197.13222	6.7
199.11153	5.2
199.14769	4.0
200.11678	1.2
201.12706	8.6
201.16347	2.1
203.10648	1.1
203.14293	2.3
209.13258	3.6
211.14789	2.7
213.12733	4.8
213.16342	2.6
215.14223	6.8
217.12244	2.5
217.15826	1.1
223.14902	1.6
225.12733	1.9
225.16426	1.4
227.14311	2.7
229.15878	2.1
231.13792	2.0
241.15945	2.2
241.19560	2.3
243.13837	1.2
245.15414	1.3
259.17633	1.3
259.20544	7.5
261.22034	2.2
263.20587	1.1
269.22589	1.9
273.15030	1.1
273.18698	1.1
273.22122	3.2
275.20029	3.8
285.22083	2.5
287.16397	1.8
287.23563	3.6
295.20581	1.6
297.18784	1.2
297.22086	1.5
301.18091	1.6
303.21051	1.4
311.23715	7.4
313.21652	6.6
315.19745	1.7
315.23148	2.1
321.22113	3.1
327.23004	1.2
329.24713	12.4
330.25159	1.1
339.23141	30.4
340.23581	1.9
357.24179	100.0
357.27539	3.9
358.24576	10.3
358.31302	1.9
358.36673	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	357.1176
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.03917	1.2
55.05487	1.0
56.96538	1.0
57.03419	1.3
62.70937	0.7
65.03912	1.0
67.05496	1.7
69.03422	10.4
69.24535	0.6
70.06568	2.7
71.58995	1.0
71.59375	1.1
72.08151	3.6
79.05459	1.9
81.03417	3.4
81.07018	1.8
83.04971	1.4
84.04482	1.1
84.08128	1.8
85.02873	2.4
86.09692	3.0
89.03898	6.1
91.05409	4.4
93.07026	2.0
95.04930	2.2
95.08584	1.1
97.02879	3.9
99.04416	2.3
103.05377	1.0
105.07001	1.5
106.04131	1.0
107.04919	2.0
107.08575	1.0
109.02840	2.5
109.10085	1.1
110.06027	0.8
111.04401	1.2
116.07071	1.2
117.02573	1.3
117.03363	19.0
117.07076	0.7
119.04954	3.7
119.08556	1.3
121.02860	1.1
121.06483	2.2
123.04404	1.5
125.05959	0.8
127.03883	3.3
129.10260	0.8
131.04906	1.6
131.08545	1.0
133.06435	0.8
134.03622	1.8
135.04387	2.7
135.08049	0.8
137.05948	10.9
137.09615	1.1
145.02823	46.7
145.04720	1.1
146.03198	1.2
147.04387	9.7
149.05949	7.5
149.09581	2.2
151.03905	1.3
153.05453	0.7
159.11311	4.2
161.05925	1.8
163.03879	2.1
164.07043	1.0
165.05528	1.0
167.07002	1.9
171.04274	0.7
175.07483	1.9
177.05441	100.0
178.05751	3.7
179.06908	0.8
181.04921	1.2
182.08090	1.9
186.05486	1.6
187.10736	2.6
191.03299	0.8
191.10606	1.1
195.06404	3.8
197.27695	0.7
205.08365	0.8
219.08020	0.8
237.03952	1.4
251.11118	0.7
258.14423	1.0
277.08484	1.1
295.09918	1.1
297.11230	1.1
307.09711	1.1
311.08969	1.0
311.12936	0.7
325.10727	1.0
348.28754	0.8
357.05850	1.1
357.09705	1.5
357.15414	5.2
358.12662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1174
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.03938	2.6
67.05511	2.7
69.03413	4.8
70.06583	3.1
71.04901	1.7
73.38345	1.7
78.04697	1.7
79.05484	4.2
81.03419	5.5
81.07041	3.1
81.41335	1.7
83.04976	2.6
85.02900	4.3
89.03907	6.2
90.90352	1.7
91.05462	3.9
93.07029	2.9
95.04946	3.6
97.02881	7.3
97.06513	2.0
98.21464	4.3
99.04462	2.6
103.05448	1.9
104.56179	1.8
107.04940	4.8
107.08562	2.6
109.02867	3.5
109.10168	2.7
111.04425	2.0
117.03362	24.6
118.03696	2.0
123.04385	2.6
124.07584	1.9
125.09640	1.6
127.03928	1.8
131.04793	1.7
131.08636	1.9
134.03609	1.8
135.04433	2.5
137.05946	11.2
137.09613	3.7
145.02817	51.6
147.04388	2.5
149.05971	7.8
151.03914	4.8
159.58218	1.9
161.09615	3.0
163.03859	2.0
165.09048	3.2
167.07021	3.8
175.07559	3.2
177.05441	100.0
178.05873	4.2
195.06538	6.7
196.04359	2.0
196.07549	3.1
203.07051	3.3
229.49234	2.1
279.06589	2.2
297.03925	2.2
311.09241	4.2
321.09650	2.4
327.12250	2.6
357.09552	5.4
357.13660	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1175
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03924	0.4
55.01853	1.3
57.03426	0.6
59.74691	0.4
61.02910	1.3
65.03938	0.6
67.05487	0.8
67.27641	0.3
69.03412	1.3
69.09357	0.4
70.04614	1.9
70.06573	1.5
72.08129	0.6
78.04654	0.5
79.05470	1.8
81.03380	0.6
81.07042	0.4
83.06113	0.5
84.04485	1.2
84.08150	1.0
85.02903	2.4
86.09677	1.1
88.24784	0.4
91.05441	3.8
93.03360	0.4
93.07027	0.9
94.04171	1.4
95.01328	2.3
95.04945	1.5
97.02876	1.0
98.21447	0.5
103.05444	3.2
105.03383	0.8
105.07031	5.6
107.04949	2.7
109.02849	1.3
109.06511	0.7
110.07185	0.4
115.05454	2.0
116.07084	1.5
117.07010	1.7
117.09097	0.6
118.04163	0.5
119.04914	3.0
120.05733	0.5
121.02874	0.6
121.06518	2.2
122.03632	5.4
123.04453	2.6
124.05158	0.5
127.03894	0.7
131.04932	3.1
131.08484	0.5
132.05682	0.6
133.06467	5.0
134.03609	0.9
135.04393	1.0
135.08011	0.6
137.05954	100.0
138.06258	3.2
138.09114	0.5
140.04727	0.5
141.01855	1.0
143.04825	0.5
144.05730	0.7
145.02852	0.9
145.06479	2.2
146.03571	1.1
147.04413	1.4
148.05154	2.6
148.27859	0.4
149.06000	2.1
151.03928	0.7
151.07524	2.2
152.04665	1.1
153.05392	0.9
157.06441	0.5
158.26593	0.4
159.04373	0.6
159.08023	0.5
160.05153	0.6
161.05942	6.3
162.06645	0.9
163.03911	0.5
163.07526	2.5
165.05414	1.5
166.06215	0.7
166.08568	1.2
167.07019	30.9
168.07410	0.4
169.06453	0.6
173.05933	1.5
175.03860	0.5
176.04689	2.5
177.05440	4.7
178.06213	2.3
179.07014	2.0
179.12758	0.5
180.04193	1.0
181.05013	2.7
181.08556	6.7
183.06503	0.5
187.07462	0.6
189.05539	0.9
190.06146	0.6
191.06984	2.2
192.07697	0.5
193.04918	1.3
193.08563	7.7
194.05663	2.4
195.02853	0.7
195.06445	2.1
201.05515	0.6
203.06886	0.6
205.04985	0.9
205.08559	2.4
206.05550	0.5
207.02910	0.5
207.06461	2.3
209.08041	7.4
209.09833	0.6
211.06059	0.8
211.09535	0.8
215.07071	0.5
217.04927	0.5
219.06407	0.5
220.07297	1.5
221.08029	3.3
233.08151	1.1
237.07489	2.6
239.09137	4.6
247.09659	0.7
251.09200	0.8
255.08641	2.8
267.08426	0.5
269.10135	3.4
275.09235	0.4
293.10138	1.6
294.10666	0.4
297.09601	1.7
311.10992	0.4
321.09644	3.5
339.10645	2.9
357.11609	0.6
357.15408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3518
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03939	0.3
53.95943	0.3
55.05505	8.2
57.07063	1.8
58.06581	0.7
62.06084	0.3
67.05508	0.6
69.06705	0.4
69.07058	6.9
69.53050	1.0
69.53471	1.1
70.06583	11.4
71.08611	0.3
81.07008	0.3
83.08615	3.1
86.06036	0.4
88.07623	16.1
90.65186	0.3
95.08562	0.3
97.10155	1.6
98.21435	0.6
102.09175	3.7
102.54146	0.2
106.07980	0.5
106.08657	7.4
117.08212	0.3
119.80164	0.2
151.91579	0.3
219.87845	0.2
312.32599	0.5
338.34125	5.1
339.34341	0.4
356.35190	100.0
357.35541	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83989	0.3
55.01847	0.6
55.05489	0.5
57.41322	0.3
65.03924	0.6
67.05465	0.7
68.99772	0.9
69.03401	0.8
69.07048	0.7
69.91677	0.8
69.92110	1.1
70.06564	0.5
71.12846	0.3
78.04691	0.8
79.05470	1.3
80.06248	0.6
81.03388	0.4
81.07042	0.6
83.01327	0.5
83.04974	0.4
91.05469	3.4
92.99751	3.3
93.07030	1.0
95.01297	1.1
95.04953	1.4
95.08579	0.6
97.02879	3.8
97.06519	0.6
103.05442	0.5
105.07005	0.7
106.04204	0.3
107.04953	2.4
107.08559	0.5
108.05726	1.5
109.02858	0.5
109.06480	0.5
109.10125	0.6
115.05428	1.6
117.07015	0.4
119.04903	0.8
119.08523	0.7
121.02829	1.4
121.06497	2.9
121.10085	0.4
122.07262	1.0
123.00776	0.8
123.04376	0.4
123.08052	0.7
127.03916	0.4
128.06190	1.0
131.04898	2.6
132.05568	0.4
134.03679	0.4
135.04362	0.8
136.05177	10.5
136.06223	0.5
137.05963	2.2
137.09590	0.8
138.06770	1.8
141.05391	0.4
142.04202	0.5
143.04913	0.8
144.05756	0.4
145.06450	1.0
146.07234	0.8
147.04416	1.2
147.08031	0.4
148.05135	1.9
149.05930	1.4
149.09613	0.4
151.03894	1.0
151.07524	48.1
152.07878	1.1
153.05450	0.5
153.09099	2.6
155.04877	0.9
156.05621	0.5
157.06462	0.7
158.07256	0.9
159.04390	0.9
161.05945	0.9
161.09572	2.0
162.06784	0.6
163.03883	2.9
163.07530	1.0
164.04713	1.5
165.05495	0.8
165.09111	0.8
166.06238	7.6
169.08537	0.7
170.03651	0.7
171.04404	3.1
172.05151	0.6
173.05963	1.2
174.06728	0.8
174.88969	0.3
175.03845	0.9
175.07504	0.6
177.05441	0.8
178.06233	24.4
179.03395	1.2
179.07001	6.3
181.08572	99.8
182.08902	2.7
183.04350	0.5
185.05971	1.6
186.03055	0.5
186.06757	1.5
187.03856	2.5
189.05421	0.4
189.09108	0.6
190.06184	0.3
191.06970	0.9
192.04140	0.3
193.04926	1.4
194.05707	0.8
197.02353	0.6
198.02959	0.4
199.03896	3.8
200.04570	0.6
201.05431	0.8
202.06212	2.0
203.03337	0.7
203.06960	0.6
204.06601	0.4
205.01346	0.4
205.04956	1.4
205.08574	2.5
207.02881	1.3
207.06506	0.5
207.10158	0.6
208.07361	0.4
209.08064	58.1
210.08412	1.3
213.05542	2.0
214.06213	2.3
215.03363	2.7
215.06964	1.3
216.04234	0.4
217.08585	1.1
219.06502	0.9
220.03625	0.7
222.05157	2.5
225.01622	0.6
227.03331	3.5
229.04889	1.4
230.05734	4.4
231.02879	0.9
237.07524	1.7
238.04753	1.2
239.03423	0.4
241.04988	2.0
242.05824	2.4
243.02782	2.7
243.06595	0.8
245.08084	2.5
246.05266	1.2
255.02820	4.3
257.04294	0.5
258.05203	2.9
261.04285	0.4
269.04367	1.3
270.05194	5.7
270.93082	0.3
271.02344	2.6
271.05646	0.6
273.04214	1.5
273.07547	2.8
283.02298	1.0
285.00473	0.5
285.03799	0.7
286.04688	1.9
288.06381	0.9
293.11395	0.3
298.04663	2.2
299.01871	3.9
301.07001	2.7
307.09619	0.5
314.04187	2.6
321.11011	0.8
329.06522	100.0
330.06824	4.6
339.12082	0.6
347.07590	7.9
357.06021	1.4
357.09482	1.4
357.13269	0.9
375.07053	22.1
376.07416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
54.84139	1.1
55.01854	2.9
56.96553	16.5
57.03421	6.0
57.96533	1.2
61.02915	6.4
65.03920	1.4
69.03425	26.3
69.98359	1.7
69.98766	5.2
70.06593	1.9
71.01335	1.4
71.04977	2.5
71.15181	1.0
73.02902	5.7
73.04740	4.5
79.05473	3.8
81.03410	9.8
84.08128	2.6
84.96021	2.9
85.02898	42.1
86.03207	2.3
87.04462	6.7
91.03917	2.6
91.05388	4.1
91.05785	11.6
92.05707	2.0
94.06551	1.2
94.86410	1.1
97.02880	19.8
98.03204	1.4
98.20750	1.7
98.97569	23.0
99.04450	4.3
103.05470	4.9
105.07029	7.3
107.04941	4.0
108.08122	1.2
109.02880	5.0
110.97572	4.1
112.07619	2.6
112.99121	1.3
116.98602	14.2
117.05743	18.1
119.04919	4.2
120.08080	4.2
123.06788	1.7
127.03898	8.3
128.07034	2.2
128.98560	6.7
130.06529	2.0
131.00150	2.8
131.04863	1.6
131.07260	2.0
131.78354	1.3
132.08081	22.8
133.05247	9.2
134.99625	6.3
136.04633	1.2
136.06224	1.8
137.05975	10.7
137.08293	2.3
138.04398	1.3
138.05396	1.8
143.00157	3.4
145.04971	2.5
146.99629	5.5
147.03275	1.2
147.04391	5.9
147.06744	3.5
148.07550	48.2
149.01187	2.3
149.05966	3.0
150.05473	9.3
150.09138	1.7
156.03383	5.5
158.99644	4.3
160.07565	11.4
161.01224	3.5
161.03023	1.3
161.43304	1.2
163.07582	1.5
164.07036	2.9
166.08607	13.7
167.06987	2.8
168.03349	2.1
168.05446	3.1
170.99635	2.2
173.01277	1.2
174.04335	9.4
176.07054	56.5
177.00639	6.8
177.05811	2.3
179.07062	1.6
182.99632	1.9
186.04338	13.7
189.00696	3.3
191.05891	2.0
192.05345	2.2
194.08115	53.6
197.01091	2.3
201.00699	3.5
203.04016	1.4
204.05424	16.0
207.03052	1.6
209.05888	1.2
217.05577	1.6
219.01764	7.4
227.02187	1.4
228.05463	4.0
231.01620	1.4
235.02718	2.9
237.02768	13.2
241.03885	3.9
246.06473	3.6
253.03824	2.6
261.02661	2.0
266.08887	2.3
268.97696	1.5
269.97812	2.7
271.04990	1.7
279.10223	2.2
286.01031	2.7
287.20300	1.5
297.11240	5.9
338.12164	1.9
339.11533	1.3
356.06592	4.6
356.13345	100.0
357.13608	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03946	3.7
55.01842	3.3
55.05504	36.6
55.65477	1.9
56.96553	5.4
57.03427	10.6
57.07058	16.5
57.65113	1.9
67.05139	4.8
67.05495	82.6
69.07057	50.3
70.06568	2.6
71.04977	3.7
71.08616	6.1
79.05481	27.3
81.07043	100.0
82.07335	3.0
83.04948	2.6
83.08609	32.9
85.06525	4.0
85.10159	2.8
91.05436	19.8
93.07029	37.2
95.04928	2.5
95.08590	82.1
96.08918	3.2
96.83222	2.0
97.06530	8.5
97.10157	21.9
98.20670	5.0
99.08158	2.1
104.25394	2.0
105.07008	16.3
107.08582	22.0
109.10129	48.6
111.08057	6.1
111.11700	6.9
117.06973	3.0
119.08541	17.1
121.10125	29.5
123.08011	2.6
123.11698	20.4
125.09649	2.5
125.13272	2.7
129.05482	3.2
133.10120	22.5
135.11664	21.0
137.09607	4.5
137.13226	10.7
146.99692	2.6
147.11664	13.2
149.13222	15.7
150.98019	2.0
151.11136	2.5
151.14804	8.1
161.13257	13.1
163.14847	15.1
165.12769	3.0
165.16411	5.2
167.14258	2.8
169.10123	2.4
175.14774	11.8
177.16414	4.8
179.17867	4.3
189.16402	8.4
199.17068	2.1
226.43544	2.5
229.31720	2.5
232.68661	2.2
245.22618	49.4
263.23669	44.7
265.25201	2.7
274.92606	2.6
315.16342	7.1
333.17322	9.7
337.27283	30.6
338.27542	2.5
351.18451	5.6
355.23956	3.1
355.28421	9.0
355.33948	19.4
356.18982	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.07026	3.0
55.01849	3.9
55.05501	42.1
56.91215	2.5
57.03432	12.2
57.07064	15.7
61.46379	2.7
65.03954	2.9
67.05494	80.9
69.07058	52.4
70.73320	9.5
71.04986	4.4
71.08620	6.0
73.84924	2.4
79.05479	28.6
81.07045	100.0
83.08601	32.0
91.05400	15.6
93.07034	32.6
95.04963	5.3
95.08595	91.2
96.51556	3.6
97.06537	12.1
97.10157	25.1
103.03968	2.8
105.07020	14.9
107.08585	23.1
109.10133	44.7
109.10777	3.7
109.21719	2.7
111.08109	4.0
111.11727	10.8
113.09638	5.1
119.08599	16.9
121.10129	29.3
123.11708	25.1
125.09544	4.1
129.05551	3.3
133.10110	16.0
135.11674	15.9
137.09647	2.6
137.13283	8.9
141.12675	3.1
147.11673	14.5
149.13202	16.8
151.14850	5.6
161.13243	16.0
163.14792	15.8
165.16342	3.4
175.14748	16.1
179.17912	5.6
189.16388	8.1
193.15948	3.9
245.22653	47.9
245.25119	3.6
257.58316	2.7
258.93677	2.7
263.23712	46.1
289.18930	2.7
337.27344	32.4
355.28598	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01864	8.6
55.05502	19.5
56.05020	8.6
57.03423	8.5
57.07073	4.5
67.05494	31.0
69.03419	40.0
69.07051	19.9
69.44510	2.6
70.70790	7.7
71.01345	3.8
71.04990	9.4
73.04747	4.3
74.06110	3.1
79.05482	21.5
81.03402	20.1
81.04523	5.6
81.07044	33.7
83.04969	73.4
83.08621	7.4
84.08120	3.2
85.02898	26.9
85.06482	3.1
89.03887	4.8
91.05484	18.8
91.68884	2.6
93.07024	22.1
93.99029	2.9
95.01304	4.0
95.04945	33.1
95.08599	34.3
97.02867	14.8
97.06520	10.5
97.10131	2.6
98.06040	11.3
99.04447	8.9
103.05437	3.5
105.03360	9.3
105.07005	20.4
106.71057	3.4
107.04934	12.0
107.08574	29.0
109.02873	9.7
109.06507	12.3
109.10135	55.9
111.04429	5.4
111.08055	4.6
113.05994	3.6
115.03881	3.3
115.05450	3.6
117.03385	10.8
117.07037	5.2
119.04929	9.5
119.08570	22.3
120.08112	4.7
121.06504	4.9
121.10133	16.2
123.04430	6.5
123.08041	7.8
123.11687	8.3
125.05984	6.8
125.09718	2.8
127.03905	17.6
127.04922	5.0
129.06978	4.1
131.08566	11.0
133.06468	7.4
133.10118	20.6
135.04388	5.4
135.08041	18.2
135.11667	16.7
137.05965	25.9
137.09590	100.0
145.02815	20.3
145.04921	5.9
145.06482	6.4
145.10114	10.1
146.03149	8.0
147.03340	5.8
147.04422	12.8
147.08009	11.0
147.11688	8.0
149.05943	15.8
149.09595	7.6
150.06624	2.8
151.07465	3.2
151.11197	4.2
155.08560	4.3
155.10669	11.5
157.10103	6.7
158.03700	3.1
159.08022	4.3
159.11760	4.3
161.05960	8.7
161.09589	5.1
161.13214	4.3
163.03894	16.0
163.07489	3.6
163.11133	5.1
163.14830	3.3
165.05449	2.8
165.09137	4.5
165.12799	4.9
165.16325	3.0
171.11705	3.9
173.06020	8.0
173.13225	5.5
175.03879	5.3
175.11188	5.6
175.14781	23.8
177.05473	23.2
178.05859	15.3
179.05833	15.5
179.10686	4.7
180.07729	4.5
189.07057	3.0
190.05296	4.0
191.03397	12.0
191.10660	5.3
191.14276	4.9
193.04953	18.1
193.15869	49.2
201.05455	33.8
201.09117	12.2
205.12497	2.9
217.15967	3.5
219.02817	26.8
220.03326	2.9
231.06430	4.0
234.06563	3.8
235.07654	2.9
235.16936	2.6
238.06139	2.8
245.11742	5.1
247.16782	3.6
263.06769	2.8
277.08627	5.1
285.00900	5.1
301.17889	7.6
305.08017	8.7
323.09039	5.3
325.10626	3.4
337.10767	6.7
337.20081	9.1
355.07883	7.9
355.11890	5.3
355.21661	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	355.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	0.7
55.05501	1.2
56.18135	0.5
59.04991	4.6
64.89697	0.5
65.03929	0.9
66.04740	0.5
66.12444	0.5
67.05501	1.5
68.99770	2.9
69.03429	1.6
69.07067	1.7
71.66355	0.7
79.05489	4.3
81.03400	2.4
81.07041	3.1
83.04958	0.6
91.05464	2.1
93.07027	1.5
94.04196	0.6
95.04928	1.2
95.08603	3.0
95.75005	0.6
97.06507	2.6
103.05457	1.8
103.98687	0.6
105.03371	0.8
105.07004	2.9
107.04944	3.3
107.08595	1.9
109.02892	0.7
109.06509	6.1
109.10157	0.8
115.05449	1.0
117.07005	1.6
119.04942	0.8
119.08523	1.5
121.06491	1.5
121.10155	0.8
123.04397	1.0
131.08575	1.3
132.05695	0.6
133.06461	1.0
135.04398	2.0
135.08017	3.3
137.05959	100.0
138.06329	1.2
145.06476	0.9
145.10115	0.6
147.04391	9.4
147.08044	0.7
147.11618	0.7
149.05962	1.2
149.09612	0.7
151.07413	0.7
153.05441	1.1
157.10155	0.6
159.08038	1.7
161.05925	2.9
163.07521	77.4
164.07899	1.7
173.05952	1.3
175.03804	0.6
175.07516	3.9
177.05522	0.6
177.09093	5.6
179.07011	3.5
180.77409	0.6
185.05925	0.5
187.07481	2.3
189.09076	3.5
201.05435	2.7
205.08566	25.9
205.10493	1.3
206.08891	0.7
213.05318	0.6
213.08983	0.8
227.06926	1.0
231.06577	0.6
231.10126	1.2
234.06535	1.0
277.08621	0.8
285.00949	0.8
285.11136	1.8
290.05609	0.7
295.24677	1.0
297.11246	1.0
305.08127	1.1
309.14795	0.8
313.14270	4.6
323.09030	0.9
327.15848	0.9
337.10532	1.3
337.14276	3.2
355.07718	1.1
355.11624	1.0
355.15302	10.5
355.22528	1.3
355.26416	0.8
360.64215	0.7
375.86511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01861	1.3
55.05499	1.4
59.04991	3.6
62.06066	0.8
63.15662	0.6
64.87135	0.6
67.05494	3.3
68.99773	3.2
69.03410	1.4
69.07054	1.8
69.94644	0.5
71.04961	0.9
79.05475	5.9
81.03396	3.0
81.07050	3.3
83.08566	0.7
87.99552	0.7
89.34821	0.7
91.05431	2.2
91.05824	1.8
93.07020	2.4
95.04946	2.5
95.08607	3.1
97.02884	0.8
97.06515	5.6
99.59315	0.7
103.05448	1.3
105.07011	3.1
107.04925	3.2
107.08572	2.5
109.06487	6.1
109.10126	1.7
115.05450	1.6
117.06981	1.9
119.04907	1.4
119.08585	1.6
121.06493	1.1
121.10131	1.4
123.04366	0.9
129.06947	0.9
131.04860	1.1
131.08549	1.9
133.02824	0.7
133.06476	1.4
133.10126	1.4
135.04364	2.6
135.08008	3.3
135.11707	0.8
137.05956	100.0
138.06279	1.4
141.06956	0.8
145.06459	1.2
147.04390	11.9
147.05508	0.4
147.11670	1.1
148.05315	0.7
149.05969	2.4
149.09543	0.8
153.05484	2.0
157.10178	0.6
159.08012	2.3
160.05098	0.9
161.05933	2.8
162.06763	0.6
163.07516	71.6
164.07854	1.7
165.05338	0.6
167.08658	0.7
171.11696	1.1
173.06029	1.6
175.07521	4.5
177.05406	1.1
177.09097	5.0
179.07019	3.8
181.06348	1.0
183.08022	0.7
186.03055	0.6
187.07492	2.3
188.07838	0.7
189.09042	3.6
191.10666	0.9
195.08139	0.7
197.06003	0.7
199.03993	0.9
201.05457	4.1
201.09015	1.0
205.08563	22.3
206.07297	0.8
207.08031	0.7
213.05528	1.3
213.09111	0.7
216.26004	0.7
223.07570	0.6
225.05536	0.7
227.07054	0.6
231.10101	1.5
234.06731	1.4
235.07512	1.2
238.06021	0.7
249.08922	0.8
261.05429	0.7
262.06174	1.4
263.06946	0.9
267.10016	0.7
268.97949	0.8
277.08740	1.0
285.00955	1.1
285.11203	1.4
290.05685	0.9
295.09705	1.0
297.11041	1.4
305.08063	1.9
313.14221	4.1
323.09250	1.4
327.15833	0.9
337.10663	2.1
337.14258	3.0
337.26471	0.7
342.56860	0.7
355.07599	1.3
355.11545	2.4
355.15408	10.8
355.26331	1.1
356.15817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1171
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
53.03935	1.1
53.06211	0.9
55.01868	1.8
55.05495	1.3
57.03431	0.9
59.22113	0.8
65.03921	1.0
67.05476	1.7
69.03419	1.3
69.07029	1.5
71.63715	1.5
79.05486	3.4
81.03397	1.8
81.07034	2.6
83.04978	1.1
89.03918	1.1
89.68855	0.8
91.05480	5.0
93.07042	1.8
94.04175	3.6
95.04985	1.9
95.08589	0.9
97.02888	1.8
97.06522	2.2
102.04702	0.9
103.05458	1.3
105.07012	4.1
107.04945	3.2
107.08599	1.0
107.29371	0.8
109.06532	1.6
109.10155	0.9
111.04447	1.2
113.66257	0.8
115.05447	3.4
117.06995	2.2
119.04902	4.3
122.03622	9.6
123.04398	2.1
125.06013	1.2
126.25461	0.8
128.06206	0.9
130.04137	2.5
131.04889	1.5
133.02866	1.4
133.06517	1.7
133.10135	1.4
135.04454	1.3
137.05963	87.2
138.06357	1.0
143.04904	2.2
145.06464	5.3
146.03586	1.8
147.04482	4.4
147.79512	0.8
149.05989	2.0
151.03922	7.0
151.05011	1.8
152.06215	1.0
153.05498	1.4
158.03630	6.5
159.04271	0.8
160.05190	2.0
161.05962	7.4
162.06772	3.1
163.03931	1.9
165.05513	1.9
165.06979	1.9
167.07042	1.1
168.05690	1.0
170.03705	1.3
171.04362	1.1
173.05963	15.3
175.03917	2.5
175.07581	1.8
177.05566	2.1
177.07018	2.0
178.07718	5.6
179.07086	0.9
180.07846	1.4
180.42116	1.0
181.06517	1.0
182.07304	0.9
185.06026	1.2
186.03105	9.4
189.05452	1.3
189.06909	5.9
190.07683	1.1
191.06932	1.4
191.08583	1.0
192.05623	0.9
193.04845	1.6
194.07259	1.9
195.08025	1.3
199.03841	0.9
201.05446	100.0
202.05936	1.9
202.07692	1.8
203.07010	2.1
205.04800	0.9
205.06470	14.5
206.07242	12.0
207.06395	1.3
207.08109	2.1
210.06752	1.3
211.07455	0.9
213.05396	7.7
215.03391	1.0
217.06462	3.4
218.07198	3.2
219.08101	2.5
220.05232	4.6
221.05956	2.9
221.09618	1.3
222.06726	3.6
223.07594	3.3
224.04787	0.9
227.06972	2.1
231.06335	5.7
233.05910	8.3
234.06718	32.8
235.07520	9.7
237.05376	2.2
237.09126	4.0
244.05232	2.3
245.05920	6.7
246.06702	2.3
247.07518	3.2
248.04712	1.1
248.08238	2.3
249.05373	2.1
249.09155	8.9
250.06242	4.4
251.06973	5.1
252.07779	2.3
259.07559	2.4
261.05435	5.3
261.09073	0.8
262.06229	28.0
263.07034	8.1
263.09692	1.1
264.07819	2.5
265.05005	1.7
265.08603	8.1
266.09296	1.7
267.06476	1.1
267.09995	1.5
272.04626	1.7
273.05420	9.4
274.06146	3.6
276.07816	3.0
277.08582	26.2
278.05710	2.4
278.09103	2.2
279.06476	6.4
280.07233	2.7
281.08206	1.3
282.08929	0.9
287.07108	4.0
289.04865	3.5
290.05704	40.3
291.06400	3.2
291.10028	2.4
292.07169	5.4
293.08145	7.7
294.08768	5.2
295.09573	6.2
297.11371	1.0
304.07291	2.3
305.08054	73.4
306.08554	2.9
307.05923	3.0
307.09610	9.4
309.07886	1.5
309.11179	7.1
319.09647	9.6
321.07486	1.3
322.08365	8.0
323.09085	3.0
325.10727	14.8
327.12219	1.2
337.10663	74.1
337.67639	0.9
338.10901	3.0
355.07904	7.7
355.11743	8.9
355.15613	1.3
374.83023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2633
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01865	1.5
55.05512	6.2
57.07054	1.0
62.06082	63.4
67.05496	7.5
69.03409	2.0
69.07055	8.6
71.08250	1.3
71.08617	9.7
71.71248	0.9
79.05479	7.7
81.03416	1.9
81.07048	7.7
83.04953	1.4
83.08607	3.3
83.79074	0.8
84.26612	0.9
91.05416	2.0
91.05850	1.3
93.07010	5.5
95.04953	2.4
95.08606	4.7
97.06506	2.3
97.10129	1.8
99.04446	1.0
99.08070	4.3
105.07011	2.6
107.04964	1.8
107.08589	4.6
109.06482	2.3
109.10139	3.0
117.07034	1.8
121.06505	2.1
121.10108	2.0
124.11227	3.6
133.10097	1.9
135.11659	1.3
137.05942	7.5
141.47392	1.0
145.10080	1.3
147.11682	1.0
151.11221	1.3
152.07074	1.8
163.07516	1.2
177.12770	2.0
196.13322	9.2
214.14317	6.2
238.18024	3.9
257.12881	1.0
275.20059	4.1
276.20239	1.8
285.01089	1.1
293.21008	20.6
294.24252	1.3
308.25803	1.3
318.24188	7.8
336.25293	100.0
337.26010	8.9
354.26279	4.7
355.07275	1.1
355.26688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3361
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
54.54686	1.8
55.05286	2.1
55.05505	24.5
56.05018	3.1
57.05803	3.1
57.07067	29.1
58.02946	2.7
58.06592	25.0
60.04519	60.0
67.05502	16.1
68.77705	1.7
69.06699	2.7
69.07058	48.8
70.02949	4.9
70.06580	12.8
71.04963	6.0
71.08633	17.1
71.55370	1.8
71.60107	2.5
71.60540	2.2
71.75279	2.0
72.04505	4.5
72.08129	3.3
74.06063	3.8
79.05465	4.5
81.07048	42.4
82.06559	3.6
83.08610	34.6
84.08123	13.2
85.09555	1.5
85.10168	8.6
86.06037	8.7
89.68307	1.7
93.07014	6.1
95.08595	43.3
97.10151	21.1
98.09664	2.4
107.08561	3.4
109.10131	18.3
111.11669	9.1
123.08049	1.9
123.11670	8.4
123.91443	1.8
125.13237	3.1
126.09087	2.1
137.13278	2.3
188.35959	1.7
268.29984	34.9
269.30261	2.8
282.31564	4.2
294.31540	5.6
308.33093	3.6
310.31067	3.3
312.32559	4.1
326.34299	5.8
336.32590	12.0
354.33609	100.0
355.33929	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	355.117
Annotation	Seitomycin
Peak:m/z	Relative Intensity
55.01867	1.5
55.05511	2.5
64.91238	0.9
65.03910	1.0
67.05492	0.9
69.03424	4.3
71.04987	1.1
71.63634	1.4
71.63998	1.2
79.05494	4.3
81.03394	2.5
81.07069	2.2
91.05425	7.0
93.07057	1.9
94.04187	3.6
95.04967	3.6
95.08608	1.2
97.02859	1.0
97.06544	1.9
102.04700	1.2
105.06999	2.8
107.04942	6.0
115.05446	3.2
117.07000	2.2
119.04934	4.5
121.10159	1.5
122.03621	11.4
124.05215	1.0
125.06039	1.1
127.03904	5.5
128.06213	1.2
129.07057	1.5
130.04134	1.5
131.04892	1.6
131.08588	1.6
133.06497	2.0
135.04424	1.5
137.05962	82.0
138.06241	1.1
141.06917	1.1
143.04915	3.3
145.06429	5.8
146.03613	1.9
147.04420	4.0
149.05928	2.4
151.03947	6.0
153.01778	1.7
153.05476	2.9
155.04871	1.3
157.06487	1.5
158.03568	7.9
159.04327	1.1
159.08096	1.6
160.05194	1.1
161.05957	6.4
162.06773	1.7
163.03925	3.4
165.05559	1.3
165.06955	1.5
167.07095	3.0
170.03569	1.6
173.05997	14.0
175.03912	2.1
175.07520	1.7
176.06084	1.3
177.05528	2.0
177.07013	2.4
178.07738	5.0
180.07722	2.0
185.06029	2.3
186.03105	8.2
187.07428	2.4
189.05444	3.7
189.07024	5.8
191.07036	1.8
191.08609	1.2
193.12303	1.1
194.07257	1.7
195.08086	1.9
199.03896	1.2
201.05443	100.0
202.05807	2.3
202.66321	1.1
203.06853	2.0
205.06464	11.4
206.07275	10.3
207.08020	2.3
213.05464	6.8
217.06477	4.7
218.07280	3.7
219.08038	2.6
220.05089	5.0
221.05916	2.9
222.06761	3.7
223.07446	2.5
231.06506	3.1
233.05977	7.4
234.06720	32.1
235.07532	10.1
235.09746	1.5
237.05363	2.2
237.09117	4.1
244.05200	2.0
245.05913	6.3
246.06760	2.7
247.07634	2.5
248.08360	2.0
249.09088	7.4
250.06206	4.9
251.07004	5.0
252.07875	1.1
259.07654	3.1
261.05374	7.1
262.06213	30.1
263.06680	5.8
263.09308	5.1
264.04144	1.0
264.07791	2.5
265.08578	7.9
266.05698	1.3
266.09378	3.4
267.10175	1.1
273.05438	8.2
274.06165	3.2
276.07880	3.5
277.08551	27.8
277.11496	1.5
278.05795	3.0
278.08990	2.3
279.06497	5.7
279.09909	1.6
280.07254	2.4
287.06937	3.8
289.04898	3.5
290.05692	40.6
291.06348	2.2
291.10110	1.8
292.07352	5.1
293.07993	8.2
294.05554	1.1
294.08847	4.6
295.09564	6.8
304.07245	3.9
305.08044	66.8
306.08466	3.7
307.06049	3.3
307.09644	8.6
309.11169	5.4
319.09634	8.5
322.08301	7.2
323.09021	3.2
325.07117	2.0
325.10687	17.2
337.10657	78.7
338.11124	3.1
355.07803	3.5
355.11737	6.5
355.15387	2.1
356.07690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	2.2
55.05502	14.3
57.03429	5.8
57.07055	3.2
65.03947	2.2
67.05498	99.2
67.50286	1.5
69.07071	12.0
70.62047	3.7
70.62412	3.1
71.04990	2.3
75.04459	2.7
79.05483	37.3
81.07049	100.0
83.08613	9.5
85.06541	1.9
91.05478	19.4
93.07036	50.9
95.04938	4.2
95.08594	77.8
97.06503	3.8
97.10152	2.4
98.21412	1.9
99.08105	2.2
105.07033	15.2
107.08583	33.0
109.10143	34.2
111.08000	1.9
117.07020	8.7
119.08577	13.9
121.10127	31.8
123.07987	2.6
123.11689	25.9
131.08559	22.2
133.10135	13.7
135.11676	26.0
137.13251	10.6
145.10092	15.1
147.11684	11.6
149.13246	20.5
151.11156	2.7
151.14845	3.0
153.12646	1.6
159.11674	14.7
161.13246	13.1
163.14832	13.0
173.13261	16.2
177.16360	2.9
187.14850	7.8
191.14423	2.1
201.16417	2.2
208.66841	2.1
233.22624	3.3
243.21031	21.5
261.22125	99.6
262.22421	2.2
279.23190	7.0
335.25800	13.1
353.26895	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.05506	15.6
57.03424	4.3
57.07055	5.9
65.03909	2.4
67.05499	100.0
67.35925	1.8
69.07059	15.7
70.76524	4.6
70.76888	3.7
71.04971	4.0
71.08624	2.4
78.04356	1.8
79.05479	54.0
81.07046	98.3
81.65880	1.8
83.08611	5.3
85.06540	2.1
91.05466	27.7
93.07033	75.1
95.04958	4.6
95.08591	69.5
95.09203	3.4
97.06525	5.1
97.10146	5.2
105.07019	19.8
107.08579	41.2
108.08930	2.0
109.10136	36.9
109.72633	1.8
117.06994	11.3
119.08576	16.7
121.09365	3.0
121.10134	29.2
123.11691	18.8
125.09612	1.8
131.08554	24.1
133.10136	10.8
135.11676	20.4
137.13235	5.8
145.10129	15.0
147.11670	11.1
149.13274	16.2
151.14821	2.2
159.11691	14.3
161.13206	9.5
163.14732	10.0
173.13234	16.0
175.14784	2.9
176.87677	2.2
177.16364	4.3
187.14844	8.2
201.16495	2.2
233.22583	4.2
243.21065	14.9
261.22107	86.4
262.22452	6.1
263.23813	2.1
279.23163	3.3
311.58978	2.0
335.25641	2.9
351.46350	2.0
353.26801	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	354.1179
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.82097	0.4
52.71809	0.3
53.03914	0.7
55.01844	0.6
61.02895	0.6
63.64497	0.3
67.05477	0.8
69.03396	1.7
69.07029	0.5
69.60759	0.6
69.61167	2.6
70.06585	0.8
71.04961	0.4
71.53162	0.4
72.08141	0.6
73.02888	0.5
73.04739	0.6
73.74411	0.3
74.26804	0.3
79.05463	0.5
80.52769	0.3
81.03386	0.8
81.93543	0.3
84.08128	0.8
85.02905	3.5
87.04434	0.7
88.89306	0.4
91.05373	2.0
94.06557	4.5
95.04945	0.7
97.02866	1.0
97.06501	0.5
98.20702	0.5
105.03358	0.6
107.04920	1.4
111.16203	0.4
112.97517	0.4
115.07539	1.6
117.05793	0.7
118.06530	5.4
119.04937	0.7
120.08107	0.4
121.02847	0.6
122.06007	5.4
127.03883	0.8
129.09100	0.4
134.05989	0.9
135.04373	0.5
137.05908	0.6
145.02817	0.7
145.04962	0.3
145.51814	0.4
145.64334	0.3
146.03217	0.5
146.05977	13.4
147.06589	0.4
148.07591	0.6
149.05962	0.4
150.05466	1.7
151.03835	0.4
152.07080	0.6
155.20319	0.4
157.08557	1.1
162.05476	1.1
163.03906	0.7
164.07037	6.7
173.06041	0.7
174.05479	100.0
175.05850	1.9
175.09633	0.8
176.07104	0.8
177.05467	2.7
178.05759	2.0
191.06934	0.8
192.06523	50.7
193.05090	0.7
193.06879	1.5
201.05479	1.1
208.09657	0.9
213.05441	0.8
217.04886	0.5
219.02747	0.5
227.82536	0.4
258.40765	0.4
259.06082	0.5
285.01080	0.6
336.10913	1.1
336.20142	0.6
354.11780	48.4
355.12036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59153	1.8
53.03926	3.6
55.05497	14.8
57.03431	4.8
57.07070	4.6
65.03932	3.5
67.05495	83.6
69.07052	11.5
70.53594	3.7
70.53995	5.3
71.04971	3.8
79.05482	45.4
81.07045	92.7
83.08608	5.4
84.54624	1.8
85.06541	3.4
91.05474	22.5
91.31822	2.0
93.07032	64.7
95.04963	4.1
95.08011	4.4
95.08591	69.6
97.06526	3.7
99.08044	3.7
105.07002	19.5
106.98446	1.9
107.08578	42.3
109.10143	38.3
111.08078	3.3
117.06988	11.7
117.39227	1.8
119.08549	14.6
121.10123	36.7
123.07989	2.5
123.11699	19.3
131.08553	19.3
133.10126	15.6
135.11674	31.8
137.09648	2.1
137.13228	8.4
138.70857	2.0
145.10077	16.8
147.11671	8.6
149.13229	24.3
151.14830	4.0
159.11642	16.3
161.13213	8.9
163.14816	12.9
169.46156	2.2
173.13231	15.8
175.14772	3.7
177.16348	2.9
180.47736	1.9
187.14790	10.3
201.16386	3.5
233.22641	6.1
243.21002	19.0
261.22116	100.0
262.22531	4.9
279.23233	4.3
335.25662	6.7
353.26825	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.5
54.41538	1.2
55.01860	1.4
55.05502	13.5
56.16099	1.4
57.03417	5.5
57.07072	7.0
59.29047	1.3
65.03932	4.7
67.05495	100.0
68.05817	2.9
69.07058	13.9
70.50336	5.1
70.50681	1.2
71.04987	3.4
71.08612	4.6
79.05484	58.3
79.76268	1.2
80.05824	2.0
81.07047	93.4
82.07360	2.2
83.08614	10.0
85.06529	4.4
85.10167	1.5
85.47729	1.3
88.05556	1.2
91.05466	27.4
93.07033	77.0
95.04955	5.5
95.08594	83.8
96.08922	2.9
97.06509	5.2
97.10142	4.6
99.08080	3.6
105.07020	23.7
107.08579	49.0
109.06512	2.4
109.10139	34.5
111.08090	4.2
113.09637	3.9
116.47301	1.2
117.06991	11.2
119.08558	15.8
121.10126	38.2
122.10510	2.2
123.08042	2.7
123.11688	16.6
131.08549	26.5
132.08891	1.6
133.10114	13.9
135.11676	31.6
137.05951	2.1
137.09598	1.8
137.13216	9.1
143.08633	1.7
145.10110	20.1
147.11649	12.2
149.13231	23.5
151.14793	4.1
153.05420	11.3
153.12753	1.9
157.10126	1.3
159.11673	16.2
161.13263	11.7
163.11198	1.8
163.14809	20.3
163.16071	2.4
165.16420	1.9
173.13220	16.5
175.14813	4.8
177.12749	2.0
177.16397	9.0
178.76547	1.3
183.11598	1.5
187.14780	12.1
189.09076	2.0
191.14297	3.6
201.16350	3.7
205.15747	2.4
215.17867	1.9
229.08745	1.5
233.18921	1.8
233.22586	6.5
243.21056	36.5
244.21320	1.9
252.81296	1.4
261.22116	92.7
262.22495	6.5
263.23706	1.4
279.19580	1.4
279.23077	2.9
335.25803	10.7
353.13898	5.4
353.26923	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	4.1
53.16807	2.5
55.05505	13.2
57.03421	6.6
57.07051	5.2
64.03154	2.7
67.05495	92.0
69.07056	12.1
70.07170	13.9
71.04982	4.0
79.05485	41.5
81.07048	100.0
83.08623	5.3
85.06520	3.1
91.05464	17.3
93.07038	49.4
95.04942	2.7
95.08009	4.3
95.08596	69.9
97.06498	2.7
98.20741	3.0
102.92130	2.0
105.07012	14.6
107.08572	36.7
109.10153	36.7
111.08093	2.4
117.06988	7.8
119.08603	10.7
121.10131	25.3
123.11685	18.5
131.08543	18.6
133.10117	9.0
135.10898	2.3
135.11702	22.5
137.13229	8.5
145.10101	13.3
147.11688	7.8
149.13246	20.5
159.11687	12.5
161.13229	8.6
162.57068	2.5
163.14754	13.7
173.13269	19.9
175.14738	3.7
176.43329	2.1
177.16383	6.0
187.14801	12.2
194.54025	2.4
213.88083	2.3
233.22606	2.8
243.21106	25.9
261.19269	4.6
261.22119	93.0
262.22488	4.8
279.23178	8.2
318.96262	2.3
335.25711	9.7
353.26886	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02357	1.0
51.20417	0.7
53.03932	2.6
53.70443	0.7
55.01865	0.7
55.05502	13.6
57.03426	5.8
57.07075	4.0
65.03921	2.9
67.05495	92.4
69.07058	13.3
71.04993	1.7
71.08626	1.1
75.04475	1.1
79.05099	0.8
79.05479	43.3
81.07043	100.0
82.07379	1.6
83.04970	1.7
83.08598	8.0
85.06529	2.5
91.05462	20.9
93.07030	53.6
94.07352	1.6
95.04964	2.9
95.08589	75.0
95.48589	0.7
96.08939	1.6
97.06517	3.4
97.10142	3.4
99.08059	1.4
105.07007	17.0
106.03168	0.6
107.08575	35.9
109.06519	1.3
109.10139	37.9
110.10444	1.0
111.08081	1.7
113.09625	1.9
117.06986	7.6
119.08564	13.5
121.10115	29.3
122.10403	1.0
123.08059	1.5
123.11683	22.5
124.12031	1.1
125.09625	1.3
131.08554	18.2
132.08820	1.0
133.10107	12.5
135.11674	26.1
136.12070	0.9
137.09584	1.5
137.13231	9.2
139.11154	1.3
145.10110	14.9
147.11646	10.2
149.09625	1.0
149.13232	20.6
151.11151	2.1
151.14793	2.1
153.12729	2.1
159.11674	12.4
161.13217	9.4
163.11108	1.2
163.14786	11.8
165.12686	1.5
173.13237	15.2
175.14801	3.7
177.12845	1.1
177.16382	3.2
179.14308	2.0
187.14812	10.6
189.16312	0.7
191.14331	1.2
195.13705	1.2
201.16394	3.0
205.15810	2.2
209.15242	1.1
215.17993	1.1
217.19618	0.9
219.17421	1.4
233.22638	2.9
243.21045	22.7
244.21448	0.8
261.22101	88.3
262.22421	4.9
263.23862	1.1
279.23154	7.0
287.02863	0.7
317.24689	1.1
327.47934	0.7
335.25757	10.4
336.26129	0.8
353.26819	24.1
354.26935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01855	1.0
55.05508	13.9
57.03428	4.2
57.07073	4.2
65.03927	3.8
67.05495	86.8
68.05820	1.3
69.07062	13.2
71.04987	3.2
71.08629	1.4
75.04457	1.2
77.03905	1.0
79.05484	46.7
80.05811	1.2
81.07046	100.0
82.07384	1.7
83.04997	1.6
83.08604	7.8
85.06542	3.8
91.05466	22.5
93.07033	60.3
94.07368	1.1
95.04935	3.1
95.08593	70.8
96.08932	1.0
97.06527	3.4
97.10151	3.5
99.08081	2.3
100.51978	0.6
105.07018	16.6
107.08580	39.0
108.08936	0.8
109.06513	2.2
109.10139	37.9
110.10481	0.6
111.08072	1.9
113.09639	2.0
117.07006	9.1
119.08564	18.3
121.10126	32.3
122.10497	1.5
123.08080	1.0
123.11696	20.0
124.11987	0.7
129.06940	1.2
131.08551	21.4
133.10114	13.8
133.11040	1.3
135.10629	1.5
135.11671	27.2
137.09624	1.1
137.13217	6.8
139.11159	1.6
145.10104	16.2
146.10413	0.6
146.72510	0.6
147.11662	11.1
148.11902	0.7
149.09662	0.9
149.13235	20.3
150.13483	0.8
151.11188	1.0
151.14804	2.3
153.12817	1.6
159.11681	14.5
161.13249	9.4
163.11200	0.9
163.14809	13.5
165.12816	1.2
165.16475	0.7
171.11629	0.8
173.13246	16.2
174.13623	0.8
175.14818	3.6
177.12654	1.2
177.16367	4.0
178.08669	0.7
179.14305	2.0
187.14786	10.4
189.16284	1.3
191.14357	1.2
201.16333	2.6
203.17834	0.7
205.15892	0.9
215.18060	0.9
219.17374	1.2
233.22554	4.3
243.21065	23.3
243.23595	1.4
244.21394	1.0
261.22113	97.0
262.22504	6.0
263.23801	0.9
268.01511	0.7
279.23135	3.5
335.25732	5.9
353.26834	23.2
354.27225	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.2
57.07057	4.0
67.05499	17.2
69.03410	4.8
69.07057	11.3
71.04977	25.1
71.66197	5.1
73.43621	2.4
79.05488	19.7
80.05019	3.1
81.07047	26.5
83.04958	4.0
83.08614	6.9
85.06523	6.5
86.20683	2.3
89.32109	2.3
91.05461	23.9
93.07033	26.3
94.06548	3.8
95.04956	39.8
95.08595	18.2
97.06519	12.7
97.10166	4.3
99.08055	2.9
105.07011	34.7
107.08578	39.1
109.06490	12.0
109.10143	12.7
113.55095	2.6
115.05516	3.1
117.07019	12.4
119.08562	37.8
121.06444	3.7
121.10133	25.7
123.08056	9.5
123.11683	13.8
128.06195	10.9
129.06987	8.4
130.07764	3.5
131.08551	29.1
133.10109	31.6
135.08023	17.5
135.11682	22.2
137.09576	9.2
141.06927	3.2
142.07785	12.2
143.08531	20.5
145.06471	2.6
145.10110	32.7
147.08037	10.0
147.11685	11.5
149.09590	10.0
149.13258	3.8
155.08542	7.2
156.09354	10.3
157.10110	44.9
158.10902	4.0
159.08017	9.5
159.11676	11.4
161.09587	38.6
161.13292	8.1
163.11179	7.1
165.07014	3.2
167.08562	8.1
168.09253	4.3
169.10104	16.5
171.11655	15.1
172.12633	3.2
173.09628	9.6
173.13228	18.0
175.11232	5.6
175.14778	5.3
177.05545	4.0
177.12677	2.6
179.08549	4.3
181.10095	7.5
182.10890	10.7
183.11694	12.6
185.13260	14.2
187.11165	7.9
187.14914	6.0
189.12723	4.0
189.16342	3.0
193.10136	5.1
194.41206	2.8
195.11682	11.0
197.13271	22.9
199.11209	2.8
199.14827	3.9
201.12712	4.0
203.14290	6.7
205.14185	2.8
205.15947	4.0
207.11575	5.1
209.13271	9.6
211.14877	7.6
213.12727	11.3
215.14294	23.0
221.13266	5.9
222.13847	2.6
223.14948	7.1
225.12622	4.7
225.16411	4.6
227.14351	3.7
229.15933	3.3
235.14841	4.6
237.16412	6.2
239.14508	2.7
239.18039	3.2
253.19525	3.6
255.17201	3.9
265.19556	7.8
269.19028	4.5
271.20569	2.7
276.20279	6.2
277.19479	5.7
293.22815	15.1
295.20618	17.6
311.23660	5.9
335.23718	27.8
353.13800	9.7
353.24753	100.0
354.24960	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	353.2678
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05503	29.4
57.03422	6.6
57.07060	13.2
62.84829	3.5
67.05493	93.2
68.47457	3.7
69.07056	34.4
71.04979	5.6
71.08630	20.3
71.62068	5.6
79.05079	5.9
79.05486	49.0
81.07047	100.0
83.04955	7.4
83.08601	16.9
91.05466	27.3
93.06448	5.0
93.07031	67.3
95.04947	11.1
95.08588	70.0
97.06513	12.4
97.10146	6.5
99.08086	15.7
105.07009	30.7
107.08575	45.3
109.06483	19.0
109.10154	38.4
117.07007	10.7
119.08581	28.5
121.06445	8.1
121.10115	29.7
123.08104	4.3
123.11687	23.6
131.08577	23.5
133.10086	21.3
135.08073	3.7
135.11687	25.3
137.13210	5.7
139.11124	5.6
145.10089	16.6
147.11673	17.6
149.13243	17.6
157.10104	5.2
158.76724	4.9
159.11641	16.7
159.49417	3.7
161.13228	12.4
163.14790	11.5
165.12709	35.5
173.13280	14.8
174.56158	5.2
175.14714	6.8
181.12262	4.1
187.14824	8.2
193.04965	10.0
201.16347	6.4
202.39561	4.1
209.18947	10.0
243.21051	15.9
251.37924	4.2
261.22110	69.2
281.54337	4.2
289.25223	15.1
299.93521	4.0
317.24734	48.4
335.25790	77.1
353.29153	12.5
353.35083	6.1
353.79568	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	353.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.4
55.05493	4.1
56.10336	1.8
57.03417	3.7
59.64886	1.6
61.37315	1.9
62.06087	2.1
65.03933	10.6
67.05482	6.4
69.03405	5.6
69.07050	4.3
70.06595	5.1
71.04990	2.6
71.65903	3.4
72.04548	1.8
79.05473	5.1
81.03394	2.9
81.07036	3.4
83.04958	4.2
84.04478	1.9
84.08117	5.7
85.02882	4.1
86.09606	1.7
89.03903	4.7
91.05465	16.0
93.03368	5.7
93.07027	5.9
94.04163	2.4
94.06548	1.9
95.01316	2.5
95.04951	12.2
95.08589	5.8
97.02873	9.3
97.06511	6.2
103.05438	2.7
105.07014	7.6
107.04921	4.2
107.08584	3.6
109.02845	4.5
109.06524	2.6
111.04436	19.6
115.05422	4.1
117.03353	20.5
117.07003	6.8
119.04911	7.3
119.07733	3.3
119.08567	45.7
121.02827	5.7
121.06491	4.9
122.03637	7.9
123.04407	4.4
125.05962	8.9
127.03896	3.2
128.06139	2.5
129.06998	6.0
131.04892	7.0
131.08546	3.8
133.02834	3.0
133.06444	2.8
134.03650	2.5
135.04384	3.5
135.07977	3.8
137.05957	96.4
138.06345	2.2
139.03851	2.5
139.07503	2.7
142.45796	1.9
143.08566	1.9
144.05643	2.5
145.02818	44.3
145.06432	10.3
145.10081	4.9
146.03165	1.9
147.04443	10.0
147.08020	11.8
147.09093	3.1
149.05962	19.8
149.09499	2.0
151.03888	3.6
151.07541	4.4
153.05426	15.0
154.05927	2.0
161.06010	3.5
162.05502	2.7
163.03813	1.8
163.11176	3.7
165.05565	2.2
167.07011	2.2
171.04434	2.3
173.05937	8.4
173.09576	4.5
175.03957	13.5
175.07494	90.9
176.07899	3.4
177.05441	100.0
178.05797	5.9
179.03413	4.7
181.06436	3.2
183.04491	1.8
185.05807	2.0
187.07379	3.3
188.08269	2.7
191.08427	5.1
191.10687	5.6
195.07942	2.0
199.07526	2.4
201.05443	8.9
201.08983	3.2
203.03409	9.9
204.03656	2.2
209.09604	3.7
215.10495	2.4
217.04820	2.1
219.07857	8.0
219.10130	10.7
225.09105	2.9
227.07117	1.9
229.04895	19.2
233.09225	4.7
233.11620	26.2
235.07564	3.4
237.08800	2.0
239.07028	2.2
241.08511	3.8
247.07451	5.7
250.06195	5.0
250.09578	2.6
253.08557	3.4
261.08475	3.2
261.11182	51.3
262.11496	2.8
263.06888	2.6
264.07767	3.2
265.08475	6.3
269.07941	12.3
275.07172	2.9
278.05869	2.2
279.06458	3.2
281.08005	2.6
293.07971	7.0
293.11194	2.3
295.05960	2.4
299.09109	3.1
307.05930	1.8
307.09573	4.3
307.12811	4.4
310.08279	2.0
317.10547	2.5
325.10593	6.9
335.08862	2.0
335.15100	5.5
338.07767	4.3
353.09885	36.0
353.13544	9.4
353.17551	3.3
354.10550	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	353.1228
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
53.03941	1.9
55.01857	2.8
55.05508	3.8
57.03422	4.4
67.05485	6.6
69.03407	2.8
69.07059	7.9
79.05485	13.6
81.07040	2.6
83.04980	4.3
85.02897	1.4
91.05472	4.2
93.07056	2.9
95.04948	4.0
95.08584	4.5
97.02890	3.8
97.06519	86.8
98.06858	2.2
98.21546	3.1
103.05457	2.7
104.43113	1.6
105.07012	4.4
107.04914	3.7
109.10143	2.0
115.05428	4.4
117.03348	4.6
117.06985	2.2
117.57375	1.7
118.20442	1.5
119.04873	2.4
119.08585	2.1
121.06483	2.7
123.04443	8.8
129.06985	2.2
130.04134	2.2
131.04900	4.5
131.08572	3.1
133.06436	1.6
135.04401	5.8
137.05962	4.5
141.06978	1.7
145.02821	12.3
145.06465	3.8
145.10107	1.5
147.04373	13.3
149.05890	7.2
151.03885	1.6
153.05449	4.3
153.06847	1.7
155.08571	2.1
157.02846	4.1
157.06502	3.4
159.04311	3.3
159.08015	2.3
161.05977	7.1
162.06709	4.7
163.03870	9.7
163.07559	1.8
163.11188	1.8
165.05472	5.1
167.03404	3.6
167.07051	4.0
169.10129	2.5
173.02342	4.7
173.05997	6.3
175.03931	7.4
175.07570	7.0
176.04616	2.0
177.05446	51.2
177.07019	2.7
178.05824	2.5
179.06996	2.8
179.08502	2.5
180.08882	1.8
181.10088	2.3
184.05203	1.6
185.05977	2.5
187.03722	3.4
187.05078	4.4
189.05455	10.4
191.03387	17.4
191.08614	1.9
193.04962	8.7
194.07256	1.7
197.06027	1.6
197.09627	4.0
200.04604	3.2
201.05359	6.5
201.09140	7.7
202.05576	1.7
203.03345	22.6
203.07022	5.5
205.04927	18.0
205.06651	2.4
209.04359	9.3
209.09598	1.6
211.07530	1.8
213.05524	3.0
214.73492	1.6
215.03432	3.0
216.04051	2.3
217.04883	4.1
217.12299	2.5
218.07211	2.1
219.02881	14.8
219.08087	4.0
219.10092	25.8
221.04385	3.1
225.09059	9.6
227.10724	1.9
229.01265	2.1
229.04953	4.0
229.08604	4.7
231.02913	7.6
233.04355	3.6
233.09656	2.6
235.07635	2.5
236.08237	2.0
241.08647	1.9
243.10233	3.1
245.08072	10.4
245.11673	2.6
247.02365	12.5
247.07733	2.1
253.08496	1.9
254.09254	2.2
255.10083	2.8
258.04810	4.7
261.11285	3.4
263.06949	2.9
263.12863	3.0
265.03415	4.4
271.09625	6.5
273.07605	4.0
273.11234	6.4
274.07889	3.2
276.12589	1.5
279.06467	1.7
281.08328	2.3
289.10675	100.0
290.11047	5.7
293.08102	3.0
293.11459	1.5
299.09171	6.7
300.09464	13.5
317.10172	23.8
318.10495	11.4
321.07547	3.0
321.11209	4.5
325.10645	1.8
335.11237	26.5
338.07675	2.3
353.06485	1.9
353.10321	9.4
353.13904	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	353.0862
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
53.03937	0.2
61.13240	0.2
63.02365	0.3
63.73878	0.2
69.07063	0.5
69.94994	0.5
69.95396	1.0
71.01340	0.4
79.05475	0.8
85.02902	1.1
89.03896	5.1
91.05448	0.5
95.01331	0.4
95.04956	0.3
95.08543	0.2
97.06513	5.2
103.05481	0.4
106.04129	0.3
117.03362	18.3
118.03704	0.4
119.04877	0.2
123.04390	0.3
131.04948	0.4
134.03609	1.4
135.04399	1.1
137.06003	0.4
138.36674	0.2
141.01761	1.0
145.02824	51.7
146.03159	1.3
147.04388	0.3
149.05962	6.5
162.06744	0.4
163.03886	0.8
173.06032	0.2
175.07532	0.4
177.05441	100.0
178.05820	3.4
186.05476	1.2
191.07008	0.3
203.03358	0.6
204.07936	0.3
219.09988	0.4
229.08505	0.3
231.02872	0.8
232.03197	0.7
232.07205	0.3
245.08020	0.8
258.04736	0.3
260.06754	2.4
271.06052	0.3
273.07455	0.7
274.07831	0.8
289.10712	3.4
291.08545	0.3
317.10107	0.5
325.10397	0.3
335.11160	0.6
353.08578	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.67618	0.3
57.03428	0.8
57.42165	0.3
59.00154	0.3
63.02388	0.4
67.05497	0.7
69.03417	0.7
69.07066	1.4
70.02886	1.4
71.01376	0.4
79.05487	2.2
80.53011	0.3
81.07046	1.0
85.02893	0.8
85.09673	0.3
89.03905	4.8
91.05474	1.0
93.07028	0.6
95.01356	0.3
95.04966	0.5
95.08637	0.5
97.06516	17.3
103.05466	0.5
105.07023	0.5
106.04124	0.3
107.04933	0.4
107.08568	0.5
117.03362	16.9
117.07040	0.4
118.03679	0.4
119.04925	0.7
119.08575	0.4
121.06490	0.4
123.04411	1.3
131.04892	0.6
131.08583	0.4
134.03619	1.5
135.04411	1.3
136.57410	0.3
137.06003	0.3
141.01796	0.9
145.02824	49.7
146.03168	1.0
147.04399	0.9
149.05952	6.9
159.04350	0.6
162.06773	0.6
163.03851	0.8
163.07584	0.4
165.05434	0.5
175.03893	0.7
175.07542	0.8
176.04805	0.4
177.05441	100.0
178.05789	2.8
184.02490	0.4
186.05438	0.7
187.03864	0.7
189.05370	0.4
191.03377	0.6
191.07021	0.6
193.04910	1.0
199.07121	0.4
201.09047	0.6
203.03407	2.2
219.10146	2.8
221.04393	0.4
227.07086	0.3
229.08527	0.9
231.02892	2.5
232.03152	1.2
245.08084	1.7
258.04776	0.9
260.06714	2.6
261.11179	0.4
268.75018	0.3
273.07495	0.9
273.11258	0.6
274.07889	1.9
289.10672	10.1
293.07962	0.5
299.05341	0.4
300.09320	0.5
315.35516	0.4
317.10104	2.2
318.10370	0.5
321.11221	0.4
325.10413	0.4
325.13876	0.4
335.11270	1.8
353.08713	5.3
353.13748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
50.14682	3.3
55.44058	3.3
69.87987	14.6
69.88420	10.8
96.97153	3.6
98.21413	4.4
161.27190	3.6
161.90942	3.9
205.03830	3.9
353.08514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0861
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
55.01851	0.3
55.05520	0.2
57.03425	0.3
63.02388	0.4
65.03936	0.5
67.05509	0.2
69.03416	0.3
69.07059	0.2
69.93505	0.2
70.71650	0.4
70.72014	0.4
71.01334	0.2
77.91089	0.2
78.04691	0.4
79.05482	0.3
79.64673	0.2
81.07027	0.2
85.02893	0.6
89.03905	5.6
91.05457	1.2
93.03394	0.6
93.07043	0.4
94.04179	0.4
94.09663	0.2
95.01328	0.8
95.04963	0.3
97.02856	0.2
99.00816	0.2
103.05457	0.4
105.07011	0.4
106.04176	0.4
107.04935	0.2
109.06491	0.2
111.04453	1.2
115.05511	0.3
117.03362	18.6
117.06998	0.3
118.03697	0.3
119.04931	0.7
122.03611	0.8
123.04408	0.3
125.05989	1.0
126.38439	0.2
131.04916	0.6
133.02745	0.2
134.03612	1.6
135.04410	1.3
137.05959	11.3
138.06331	0.3
141.01807	1.6
141.06964	0.2
145.02827	48.3
145.06494	0.7
146.03130	1.4
147.04373	0.7
149.05962	9.5
150.06313	0.4
151.03899	0.5
153.05452	1.1
158.05988	0.2
159.04353	0.3
161.05957	0.4
162.06802	0.4
163.03912	0.6
171.04384	0.3
173.05956	0.7
175.03909	1.7
175.07500	0.2
176.04549	0.3
177.05444	100.0
178.05785	3.2
179.06917	0.2
183.04471	0.2
186.05464	0.8
189.05421	0.3
195.06349	0.3
201.05414	0.9
203.03404	1.0
217.04846	0.4
229.04903	2.0
232.07349	0.2
237.08888	0.3
248.49574	0.2
260.06772	1.9
297.10977	0.3
299.05569	0.2
325.10623	0.8
335.09464	0.2
353.08725	5.5
354.08972	0.3
360.73541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
55.05503	12.0
55.13376	1.6
56.05027	14.3
58.06597	2.3
59.02549	1.7
60.04513	19.7
61.39228	2.0
61.39542	1.9
64.73734	1.7
67.05499	24.4
69.07057	21.5
70.06580	3.3
71.65807	1.8
76.86072	2.0
79.05479	38.4
80.05001	8.1
80.45211	1.8
81.03430	2.9
81.05781	3.4
81.07050	20.5
82.06564	7.9
83.04981	3.2
83.08607	3.5
84.08073	1.9
85.02905	1.9
85.06559	2.3
91.05467	22.9
93.07027	35.1
94.06545	20.9
95.04964	7.8
95.07349	3.0
95.08593	17.1
96.08130	4.6
97.06517	19.7
97.10172	3.0
105.07021	25.7
106.06542	4.9
107.04927	2.9
107.08593	15.8
108.08086	6.1
109.06496	3.1
109.08903	2.7
109.10137	9.0
117.03378	3.3
117.07013	6.5
119.08578	13.1
120.08077	2.2
121.10121	39.1
122.09683	2.6
123.11702	2.5
131.08546	8.2
133.10120	12.7
134.09648	4.6
135.11713	3.7
136.11226	3.0
137.09615	2.1
138.12756	13.3
143.08624	3.0
145.02887	10.5
145.03812	2.0
145.10086	12.6
147.11681	8.4
149.09593	3.4
150.12747	3.0
158.70993	1.9
159.11713	7.9
161.13261	4.2
162.12794	2.6
164.14348	2.0
171.11656	2.4
173.13243	2.4
176.14281	2.6
177.05453	23.7
177.12718	50.4
178.06041	2.1
180.13815	11.3
194.15402	7.6
200.02052	2.1
203.35257	2.3
204.13835	7.8
212.16414	6.2
222.14867	13.6
223.07449	2.0
223.15640	3.5
224.16360	2.9
226.14482	2.6
236.16454	9.0
246.21971	2.3
257.18958	9.6
274.21576	19.6
275.20035	32.8
290.21222	2.5
292.22659	100.0
293.23203	4.7
316.22610	3.9
334.23685	20.8
352.08813	3.4
352.12714	4.3
352.24802	30.9
353.06216	2.4
353.10013	7.9
353.13693	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	352.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01855	4.2
55.05500	18.1
56.05043	8.7
57.03421	3.2
58.06582	6.0
60.04515	15.1
65.03907	1.8
67.05489	40.7
68.05821	1.9
69.03423	2.7
69.07058	35.1
69.35600	3.3
69.36005	14.9
70.06575	5.1
71.04964	2.1
71.08601	3.5
79.05479	37.6
80.05005	35.0
80.05793	2.8
81.03387	3.6
81.05753	2.7
81.07047	32.4
82.06566	4.0
82.07373	2.9
83.04949	4.4
83.08588	7.4
84.08096	1.7
86.84166	1.8
88.74905	1.6
89.98849	1.6
91.05466	27.6
92.04977	2.0
92.05782	1.8
93.07027	25.4
94.06551	19.2
95.04946	8.5
95.07330	6.1
95.08588	21.1
96.08108	2.9
97.06516	9.6
97.10168	4.9
99.08076	3.4
100.07616	2.3
105.07011	30.9
106.06546	5.2
106.07246	1.5
107.04975	2.3
107.07358	1.8
107.08569	27.7
108.08093	9.0
108.08710	1.8
109.06508	3.6
109.10134	13.8
110.09714	1.8
110.10467	1.8
111.08021	2.3
117.07001	6.6
119.08556	19.1
120.08063	4.3
120.08864	1.6
121.06486	2.2
121.10107	13.6
122.09616	2.6
123.08076	3.6
123.11666	2.2
125.09637	3.6
129.06975	4.1
131.08554	10.1
133.10101	17.1
134.03598	5.0
134.09612	2.9
134.10524	1.9
135.08104	2.3
135.11670	6.1
136.11140	2.1
137.05856	1.6
137.09579	4.1
138.12761	1.8
143.08569	3.0
145.10159	9.7
147.11665	14.3
148.11151	4.6
149.09615	5.4
150.12749	2.0
151.11218	2.5
153.07031	1.8
154.12216	17.2
155.08495	1.9
157.10059	3.2
159.11653	6.9
161.13225	5.3
163.11127	4.3
164.14256	2.1
165.07054	2.0
171.11717	4.1
172.13321	9.6
173.13263	4.2
176.14328	2.3
177.12694	4.8
179.14366	2.2
180.13936	2.8
181.06435	2.5
185.13344	1.9
187.11192	2.4
189.11139	3.8
189.12746	2.4
192.13774	4.0
196.13321	3.4
197.13184	2.2
198.14838	1.5
204.13818	23.5
206.15417	3.9
209.06015	1.8
210.14902	6.5
211.07489	2.4
214.14526	1.7
221.15742	1.6
222.14850	33.1
223.15495	3.1
224.16415	4.4
224.51602	1.7
227.03445	1.8
229.19519	2.5
236.16441	3.8
237.05481	4.9
239.17996	2.1
257.07983	6.3
257.18982	13.7
265.04846	3.4
272.20187	3.8
274.21625	21.2
275.20010	42.0
278.21979	3.7
281.04306	2.9
282.05173	8.9
290.21182	6.3
292.22662	100.0
293.23260	3.7
297.07565	39.2
306.24243	3.2
310.23831	2.0
313.75397	1.6
316.22650	4.2
334.23724	21.4
352.24835	66.5
353.13776	31.4
353.24741	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	352.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16449	1.8
51.41151	1.6
55.05498	3.0
57.03428	5.1
67.05466	1.6
69.03414	1.7
70.18841	8.5
71.04986	4.6
79.05481	2.5
83.04967	6.7
86.99426	1.7
88.66638	1.6
89.26163	1.9
89.85995	1.6
91.05477	2.0
95.50253	1.8
97.02897	2.0
97.06520	17.4
102.22474	1.6
104.28604	1.7
105.07047	4.2
112.82641	1.6
117.07026	2.5
121.06488	2.4
121.22610	1.5
123.04342	1.9
131.04895	3.4
133.06523	1.7
145.02856	4.6
145.06464	9.5
145.14600	1.9
147.04428	3.1
157.06508	2.4
159.04424	4.9
159.07988	2.7
161.05991	4.6
163.03885	4.0
169.06465	2.5
169.10101	2.4
173.05956	10.4
175.03932	5.6
177.05463	12.7
178.05833	1.8
185.05937	2.5
187.03862	3.6
187.07541	6.3
188.08301	8.3
189.05473	4.7
189.08983	2.3
191.03383	5.3
197.05989	3.4
197.09578	4.0
199.03845	2.0
200.04646	20.6
201.05449	14.8
201.09114	3.2
203.03398	5.2
203.07127	2.2
205.04967	6.1
207.07999	3.7
209.04422	3.2
211.07657	1.7
213.05417	4.4
215.03560	8.0
215.07027	14.8
217.04938	2.0
218.08881	2.2
219.02872	5.5
219.10197	6.3
225.05501	4.6
225.09021	9.1
227.06947	2.3
227.10727	3.3
229.01320	1.9
229.04924	4.9
231.02866	7.5
233.04436	17.3
235.07565	2.6
241.11754	2.5
242.09105	4.5
243.06514	2.6
243.10179	5.1
245.04501	3.0
245.08131	1.8
247.02362	11.7
247.06071	2.1
253.08537	9.4
257.04419	41.2
270.08771	2.1
271.09653	12.1
273.07632	11.2
275.05560	6.2
281.08096	9.6
289.10712	20.8
299.09109	100.0
300.09421	1.9
317.06451	3.1
317.10165	64.0
335.11209	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	352.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09056	2.7
59.94446	2.6
67.05477	5.8
69.07069	5.6
70.03197	7.3
70.03590	9.2
79.05488	5.6
85.02891	3.0
85.06515	5.7
95.04944	8.2
97.06532	7.7
123.04450	4.5
127.07585	3.7
131.08501	3.1
133.07690	3.3
136.59073	3.0
137.05943	5.2
141.05469	4.2
141.07008	4.8
142.07642	3.2
147.04373	5.9
153.06996	5.7
155.06993	16.6
155.08327	4.1
157.10147	3.6
159.04350	4.3
159.08092	18.8
161.05971	6.2
162.06320	3.2
165.06958	9.3
167.08566	20.1
169.06406	5.0
170.07178	3.6
173.05981	29.4
174.06410	3.9
175.07553	8.6
177.05403	10.6
179.08534	19.4
181.06421	6.0
181.10106	8.5
182.07170	4.1
183.08040	10.5
185.05957	4.3
185.09660	4.4
187.07544	46.4
188.08298	93.0
193.06456	4.0
194.07381	5.1
195.08009	20.4
196.08405	4.0
197.05908	7.0
197.09619	9.0
198.06647	7.0
199.07443	7.3
200.07855	4.1
201.09071	11.8
206.09193	6.7
207.08075	20.4
209.09644	16.6
210.06723	14.9
211.07558	28.1
212.08299	6.7
213.09091	31.1
214.06120	3.8
214.09546	6.2
215.07143	6.5
217.08681	4.4
218.09019	9.5
223.37575	3.3
225.06969	7.0
225.09090	100.0
226.09570	4.8
227.06924	5.7
227.10631	18.9
228.07396	3.4
228.38809	3.7
229.08548	5.3
232.06813	3.9
235.07565	7.9
239.07021	12.2
242.08990	13.3
243.10165	15.6
245.08174	6.1
246.08405	4.8
253.08577	28.7
255.06544	4.2
257.08078	32.1
263.06854	3.9
270.08316	3.9
271.09613	31.7
273.07623	9.7
281.08051	17.7
288.09631	5.4
298.07867	4.2
299.09143	55.4
371.69092	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	352.1596
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
50.27043	2.3
51.38709	2.2
69.07059	4.8
71.03813	6.2
72.04501	9.6
73.23560	2.7
85.02876	3.4
85.06526	4.9
90.05545	69.9
98.02412	10.2
103.07597	4.6
116.03417	8.2
124.07575	11.9
142.08615	6.8
148.75162	2.8
174.11317	3.9
184.09621	12.4
202.10707	28.9
211.46794	2.6
219.76004	2.4
220.11769	100.0
221.12085	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	352.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26387	2.1
59.51508	2.5
63.73552	2.5
69.03394	2.9
69.07060	3.7
69.47085	2.4
71.03656	4.1
71.03988	4.6
72.04510	5.8
73.02917	2.9
79.28056	2.5
85.06533	4.7
90.05542	60.9
98.02411	6.4
102.43023	2.9
116.03433	9.9
124.07587	10.9
142.08612	4.3
153.05984	2.3
184.09654	13.6
202.10695	28.6
207.55148	2.5
212.31062	3.1
220.11774	100.0
231.85712	2.5
251.15540	2.5
294.78986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69550	2.3
53.79230	2.1
57.03446	2.8
57.07064	3.5
59.04988	3.5
60.20105	2.0
61.57644	2.1
70.02985	3.2
71.03806	7.0
72.04504	10.0
73.02886	2.6
80.02959	2.2
85.02885	3.0
85.06530	6.9
90.05544	63.2
95.04961	4.3
98.02406	9.1
112.90944	2.5
113.06004	4.3
116.03444	8.6
120.62612	2.3
124.07588	8.5
142.08612	6.3
177.05408	5.3
184.09657	8.9
202.10725	19.3
220.11781	100.0
329.58542	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01852	4.1
55.05238	2.0
55.05500	33.9
57.03428	45.2
57.07052	4.1
59.72555	1.4
65.03924	3.0
67.05492	72.3
68.05836	1.5
69.03397	2.4
69.06694	1.7
69.07053	24.3
69.93356	2.2
69.93747	7.0
71.04971	4.6
77.03907	1.6
79.05480	73.1
80.05791	1.6
81.03403	1.4
81.07041	90.9
82.07355	1.5
83.04981	5.4
83.08609	23.5
85.06544	10.4
91.05466	53.2
91.29664	1.3
93.07028	100.0
94.07361	1.7
95.04956	8.9
95.08589	72.5
96.08917	1.8
97.06523	6.7
97.10151	4.2
99.08064	4.6
103.05434	1.6
104.51699	1.3
105.07009	55.6
106.07323	1.9
107.04950	1.8
107.08573	62.1
108.08863	1.4
109.06510	7.1
109.10143	25.9
111.08073	6.0
113.09619	2.9
115.07630	1.5
117.06996	13.5
119.08559	45.4
120.08924	1.8
121.06490	1.8
121.10120	46.8
122.10407	1.5
123.08047	5.4
123.11677	7.1
125.09610	3.0
129.07002	9.4
131.08542	21.1
133.10107	43.2
135.08049	2.7
135.11667	44.8
135.12645	2.8
137.09586	4.4
137.13237	2.2
143.08556	9.4
145.10106	24.8
147.11655	44.8
148.11940	1.6
149.09651	3.3
149.13234	29.1
151.11188	4.6
157.10109	7.5
159.11655	15.8
161.09576	2.4
161.13243	26.0
163.11180	3.8
163.14835	6.0
165.12828	4.3
171.11667	10.8
173.13231	11.1
175.11249	2.5
175.14853	10.0
177.12775	3.6
179.14244	1.9
181.12151	1.7
185.13185	12.8
187.14777	9.6
189.12776	3.5
193.16052	1.3
195.06561	1.6
199.14865	6.3
201.16278	1.8
203.18059	2.4
205.15868	4.8
213.16431	3.1
217.16008	1.6
221.18945	4.5
231.17380	2.6
231.21060	7.1
241.19485	22.9
249.22148	2.0
259.20538	59.8
260.21002	4.5
277.21567	26.3
290.04483	1.2
306.21521	1.5
333.06271	1.6
333.24176	6.4
336.82355	1.5
351.25314	81.7
352.25595	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	351.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11116	3.2
53.03929	8.2
55.05507	28.4
57.07060	7.4
65.03925	4.1
65.27854	3.1
67.05495	39.5
69.03439	4.8
69.07059	52.8
71.04973	10.5
71.53812	4.5
71.54207	2.6
79.05478	39.6
81.07045	59.5
83.05013	3.7
83.08596	12.0
91.05465	46.1
92.05750	3.7
92.82729	3.1
93.06451	5.0
93.07027	64.5
95.04958	26.5
95.08595	70.4
97.06507	13.9
97.10159	5.7
103.05482	5.1
105.07016	100.0
106.07368	4.1
107.08578	61.4
109.06518	12.9
109.10145	41.2
111.08082	3.4
111.20637	2.9
115.05404	3.6
116.06228	4.2
117.06995	13.8
118.48338	2.8
119.08566	90.9
120.08855	5.1
121.06495	9.8
121.10127	60.5
123.08070	6.6
123.11697	17.8
128.06184	12.3
129.06992	9.8
130.07780	6.3
131.08548	48.2
132.08972	3.0
133.10107	55.2
134.10486	5.0
135.08043	20.4
135.11671	15.1
136.33093	2.9
136.79861	3.1
137.09647	6.1
137.13228	6.9
142.07787	16.3
143.08560	31.2
144.09201	3.7
145.06444	3.8
145.10091	51.5
146.07277	4.3
146.10451	3.3
147.08046	7.2
147.11673	28.9
149.09593	14.1
149.13245	6.1
155.08534	6.2
156.09326	13.0
157.10107	43.6
158.10667	3.3
159.07973	4.9
159.11665	30.8
161.09613	47.0
161.13220	20.5
163.14835	4.3
167.08481	5.2
169.10074	10.2
170.10892	4.6
171.11678	25.7
173.09540	5.4
173.13242	14.1
175.11162	7.6
175.14771	16.1
177.16399	15.4
179.08485	8.7
181.10065	4.0
183.11694	7.4
185.13283	15.9
186.13922	3.1
187.14789	10.9
189.16354	7.4
194.10815	8.5
195.11600	6.6
197.13203	11.5
199.11057	3.6
199.14815	12.2
201.16389	7.3
203.17876	5.7
207.11656	3.7
209.13240	18.0
211.14813	7.4
239.17819	4.2
241.19443	10.5
253.19475	3.9
255.21120	3.7
259.20593	3.3
263.65964	3.2
267.20877	3.8
333.25754	6.8
334.33505	3.1
351.26785	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
55.05500	17.8
57.03433	38.4
57.07048	5.3
57.22237	3.7
62.07605	3.6
66.95514	3.6
67.05498	53.9
69.07055	12.8
69.28626	4.0
71.04990	7.6
71.08636	5.9
72.42960	3.9
79.05491	41.6
81.03436	6.8
81.07050	47.3
83.08617	7.2
85.06528	29.3
91.05460	36.9
93.07027	59.2
95.04951	52.5
95.08589	32.9
95.60027	4.7
97.06516	4.8
105.07023	42.5
107.08572	34.3
109.06492	45.4
109.07146	5.3
109.10153	15.1
113.05990	100.0
117.07023	7.7
119.08578	24.9
121.06432	5.9
121.10136	30.8
123.11732	7.9
129.06978	6.0
131.08545	20.4
133.10121	22.3
135.08032	43.2
135.11685	20.4
136.53418	4.3
143.08545	4.5
145.10074	19.9
147.11661	19.9
148.92625	3.7
149.09511	4.7
149.13312	5.1
149.21382	3.8
157.10143	7.4
159.11696	13.9
161.06108	4.1
161.09613	6.7
161.13277	11.9
165.89445	3.9
171.11674	6.9
173.13188	5.3
175.14882	5.3
183.11652	4.9
185.13274	11.5
187.14845	5.3
199.14757	5.3
207.13745	5.3
229.28423	5.3
230.22806	3.9
241.19507	7.8
244.10609	4.0
245.19035	22.3
259.20517	35.6
277.21805	5.8
297.17685	4.5
301.21661	21.6
319.22742	60.6
320.22894	5.2
351.25397	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01863	2.9
55.05507	23.4
57.03431	11.8
57.07051	2.1
62.63857	1.9
65.03938	2.3
67.05154	3.2
67.05497	56.6
69.07065	21.7
69.33836	10.0
69.34263	8.0
71.04996	3.8
71.08620	11.7
71.90783	1.9
79.05482	72.0
80.17708	2.3
81.07049	67.6
83.04965	4.7
83.08616	12.4
85.06533	2.8
91.05470	58.3
93.07032	100.0
94.07345	1.9
95.04945	9.3
95.08602	50.1
97.06539	3.3
97.10178	4.9
97.19862	1.9
98.21483	3.4
99.08080	9.2
105.07016	56.1
107.04962	2.4
107.08584	63.3
109.06515	4.4
109.10138	16.0
111.08078	3.5
117.07003	13.1
119.08565	55.5
121.06509	1.9
121.10121	51.6
123.11672	5.8
129.07007	8.0
130.07735	2.2
131.08549	25.0
133.10115	46.9
135.08095	2.0
135.11684	53.3
137.09604	3.9
141.06981	2.5
143.08530	12.0
145.10091	24.8
147.08083	1.9
147.11667	48.6
149.09563	2.4
149.13232	28.5
151.11148	6.5
157.10107	13.5
159.11679	21.8
161.13239	34.7
163.11206	5.1
163.14809	7.6
170.10831	2.5
171.11679	13.3
173.13249	11.3
175.11235	1.8
175.14838	20.4
177.12665	3.5
179.14302	15.0
181.10051	3.0
185.13297	11.6
187.14787	5.5
189.12746	2.6
195.13762	2.3
197.13147	2.6
199.14873	9.7
213.16388	5.5
217.19595	3.1
221.15182	2.0
231.21083	6.7
241.19493	34.9
259.20544	97.1
260.20813	4.1
277.21564	23.2
318.46066	2.0
333.24197	8.1
351.25500	71.9
351.30261	8.0
352.25092	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.6
53.03937	3.8
55.01865	3.4
55.05504	20.4
55.54944	1.3
57.03431	18.1
57.07061	3.6
59.05004	1.6
65.03931	2.8
67.05495	55.2
67.05859	2.9
69.03437	2.1
69.07061	22.3
70.87135	3.8
71.04984	3.0
71.08620	58.0
73.23929	1.2
75.06272	1.4
79.05481	47.9
79.05944	2.5
81.03407	7.1
81.07046	53.0
83.04965	11.4
83.08607	10.8
85.06534	3.2
91.05467	34.2
93.07032	63.9
94.07346	2.3
95.04957	14.2
95.08595	40.4
97.06523	9.9
97.10160	4.5
99.08083	39.1
105.07022	24.1
107.04943	10.6
107.08580	36.0
109.06512	5.1
109.10136	16.0
111.08067	2.2
113.09643	2.3
117.07007	4.4
119.08578	20.6
121.06503	1.8
121.10131	28.3
123.08057	2.1
123.11694	2.7
123.72401	1.3
125.09579	2.0
127.11185	1.7
128.54417	1.4
129.06992	3.7
131.08566	8.2
133.10130	17.7
135.08028	1.5
135.11673	34.6
136.12039	1.5
137.09586	5.0
141.09106	3.4
143.08586	3.6
145.10144	5.9
147.11659	8.8
149.09604	2.0
149.13210	12.8
151.11157	20.6
153.12769	2.4
157.10034	2.0
159.11658	5.9
161.13234	12.8
163.11191	7.4
163.14861	2.3
165.12682	2.3
167.10648	3.4
171.11719	2.5
173.13281	1.8
175.14799	2.6
177.12755	4.9
179.14284	100.0
180.14571	2.4
180.81094	1.4
185.13228	2.5
189.11197	1.8
189.12767	2.9
201.25104	1.4
203.14268	1.6
207.13730	1.7
221.15378	5.0
224.70528	1.3
235.16962	5.5
241.19513	3.2
259.20554	7.9
267.82410	1.4
277.21564	34.0
278.21851	1.7
292.22842	2.6
316.51239	1.3
351.25330	31.6
352.24908	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.4
55.05502	17.9
57.03413	6.3
57.07047	2.7
59.63801	1.5
65.03923	2.0
67.05145	3.0
67.05495	48.4
69.07052	13.8
69.52950	14.5
71.04974	2.3
74.16803	1.6
75.04469	2.9
79.05484	63.3
81.07045	55.1
83.04957	2.7
83.08598	4.9
83.72748	1.6
85.06507	2.3
90.46128	1.5
91.05464	64.9
93.07030	84.3
95.04951	6.4
95.08589	35.1
97.06538	2.1
97.10171	2.1
99.08054	4.4
105.07014	69.5
105.07726	3.3
107.08581	49.9
109.06490	4.1
109.10142	15.1
111.08008	1.9
117.07008	13.5
119.08562	65.2
119.09421	3.4
121.10125	31.4
123.07951	2.6
123.11687	4.0
125.09586	1.6
128.06235	2.1
129.06952	9.3
131.08540	23.8
133.10109	49.5
134.10564	2.1
135.08015	3.3
135.11678	35.0
143.08546	10.3
143.89415	1.8
143.90570	1.8
145.10094	24.3
147.11665	52.3
149.09596	4.1
149.13228	21.7
157.10123	11.6
159.11653	21.1
161.13234	40.4
163.11121	3.6
163.14801	8.7
171.11658	14.3
173.13214	11.1
175.14806	14.2
176.51970	1.7
177.12735	3.9
185.13164	12.9
187.03838	2.3
187.14735	2.7
189.12733	2.8
199.14790	11.3
201.16458	2.7
213.16371	6.4
231.17422	2.4
231.21036	7.4
231.63876	1.8
238.06003	2.2
241.19478	33.8
259.20541	100.0
260.20929	4.4
262.09576	1.6
277.21603	4.7
321.07520	3.8
333.23920	2.0
336.09927	4.5
351.12247	21.6
351.18665	3.6
351.25281	51.1
352.12445	2.8
352.25546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01844	1.8
55.05503	23.0
57.03436	10.3
57.07057	2.7
59.05007	1.5
60.56543	1.2
65.03928	2.0
67.05495	57.1
67.05853	3.3
69.03426	1.1
69.07056	19.3
70.18124	3.2
70.18517	2.4
70.35056	1.3
71.04978	5.6
75.04467	2.7
79.05479	74.6
80.05803	1.6
81.07043	66.2
83.04961	2.0
83.08608	10.3
85.06521	5.2
91.05464	55.9
93.07030	100.0
94.07340	1.9
95.04954	6.9
95.08591	43.9
97.06515	3.6
97.10155	3.5
99.08065	5.1
103.05462	1.9
105.04507	1.7
105.07011	66.6
106.07346	1.5
107.08577	65.5
108.08961	1.1
109.06490	3.2
109.10148	14.9
111.08073	2.5
113.09651	2.7
115.93483	1.4
117.06998	13.8
119.08565	58.3
121.06465	2.3
121.09269	2.8
121.10128	51.3
121.10996	2.8
122.10442	2.0
123.08062	3.2
123.11701	4.4
129.06996	8.9
131.08545	22.1
133.10103	55.1
134.10428	2.0
135.08023	2.3
135.11671	50.4
137.09601	2.0
139.11110	1.2
142.07768	1.9
143.08548	10.7
145.10103	25.6
147.08066	1.5
147.11667	57.0
149.09624	2.6
149.13232	32.7
151.11221	2.2
153.78813	1.3
157.10114	11.2
159.11668	24.7
161.09616	1.6
161.13229	40.1
163.11176	4.6
163.14781	10.4
171.11652	14.1
173.13222	11.0
175.14781	15.6
177.12759	3.0
179.14279	2.0
185.13226	14.9
187.14861	4.4
189.12741	3.4
189.16418	1.8
199.14729	8.3
203.14307	3.2
212.25986	1.3
213.16359	6.0
215.17990	2.2
217.15942	1.9
217.19412	3.1
221.15300	1.9
222.02080	1.4
231.17458	3.4
231.21004	8.5
235.16956	1.4
241.19458	36.7
259.20541	98.4
260.20908	5.1
277.21591	14.0
278.22043	1.4
333.24234	11.3
351.18411	3.0
351.25259	65.6
352.25583	5.5
364.49261	1.4
369.19241	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01857	2.0
55.05275	1.8
55.05504	17.0
57.03416	4.4
57.07061	2.7
57.12321	1.2
65.03938	1.6
67.05145	2.0
67.05494	39.4
69.07052	14.7
69.60735	2.5
69.61152	8.2
71.04996	2.8
71.27814	1.3
75.04462	1.8
79.05484	57.2
79.29730	1.4
81.07045	44.0
83.04958	2.7
83.08599	5.4
85.06529	5.1
91.05466	55.4
93.07030	71.6
94.07389	2.0
95.04950	5.7
95.08018	2.1
95.08600	34.2
97.06516	3.2
97.10144	1.6
98.20741	2.4
99.08067	3.5
102.81935	1.1
103.05464	1.3
105.04477	1.3
105.07014	59.3
107.04910	1.3
107.08578	36.0
109.06489	1.4
109.10162	10.9
111.08034	2.3
117.07011	15.9
119.08566	53.2
121.10132	30.6
123.08066	2.1
123.11679	3.7
127.11192	1.5
128.06143	1.8
129.06999	8.4
131.08549	17.3
133.10112	46.9
134.10443	1.4
135.08014	2.1
135.11668	29.2
143.08537	8.9
145.10095	22.1
147.11661	49.3
148.12019	1.8
149.09645	2.5
149.13234	19.1
157.10080	10.9
159.11647	15.4
161.13246	38.8
161.14569	2.8
163.11211	3.1
163.14783	5.2
171.11664	14.8
173.13243	12.2
175.11198	2.0
175.14803	20.0
177.12665	2.9
185.13190	14.5
187.14771	3.3
189.12700	4.0
199.14755	9.6
203.14287	1.5
213.16364	4.9
217.19521	3.4
231.17442	3.0
231.21011	9.6
241.19473	33.3
259.20544	100.0
260.20908	5.6
277.21567	5.3
333.24149	2.6
334.23672	3.6
349.85852	1.3
351.25235	58.6
352.25385	4.5
371.73859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01853	2.6
55.05506	18.5
55.37059	1.7
57.03429	8.5
57.07060	2.9
65.03934	3.6
67.05493	46.0
69.07052	14.7
71.00137	4.8
71.04979	3.9
71.08616	2.5
75.04450	2.2
77.03925	2.9
79.05480	66.0
81.06554	2.6
81.07042	54.1
81.83829	1.4
83.04957	2.6
83.08600	7.0
85.06541	4.4
91.05465	48.1
93.07034	93.3
94.07362	2.4
95.04949	8.4
95.08586	40.6
97.06520	4.9
97.10152	3.7
99.08082	6.0
105.07011	52.2
106.07325	2.3
107.08575	53.1
109.06509	3.9
109.10131	16.8
111.08122	2.0
113.09657	1.9
114.57166	2.1
117.07003	11.2
119.08566	51.3
120.08783	1.5
121.10123	47.2
123.08028	1.7
123.11644	3.7
128.90239	1.8
129.05486	1.9
129.07040	8.0
130.68335	1.8
131.08543	26.1
133.10110	46.9
135.11673	44.2
137.09602	2.3
143.08585	8.6
145.10094	25.1
147.11667	54.5
148.12009	2.1
149.09647	3.6
149.13245	27.3
157.10149	11.1
159.11679	21.4
161.09648	2.5
161.13239	42.5
163.11095	2.2
163.14793	10.8
165.12685	1.6
171.11673	17.7
173.13252	12.6
175.11160	2.0
175.14812	24.2
177.12704	3.2
179.14268	3.3
185.13231	12.8
187.14848	5.0
189.12744	2.3
189.16315	2.1
193.16006	1.9
199.14813	9.4
203.14250	2.8
213.16402	5.8
217.15891	2.6
217.19539	6.3
218.66434	1.6
231.17468	3.6
231.21088	10.0
241.19455	39.4
259.20538	100.0
260.20987	3.3
272.49915	1.9
275.10577	1.5
277.21533	19.0
333.24109	13.0
351.25275	70.3
352.25546	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
53.58900	1.1
55.01841	1.6
55.05503	21.1
57.03432	12.1
57.07062	3.1
58.64861	1.1
65.03926	2.4
67.05138	2.4
67.05495	47.2
68.05804	1.4
69.03394	1.2
69.07059	19.1
69.44344	11.3
71.04975	4.0
71.08594	1.4
75.04469	1.6
79.05482	76.3
81.07044	58.7
81.07443	1.0
81.07537	1.6
83.04941	2.0
83.08609	9.2
85.06517	4.6
91.05466	58.5
93.07028	97.5
95.04955	7.7
95.08009	2.3
95.08592	42.0
95.09196	2.3
97.06516	4.7
97.10145	3.9
99.08081	4.0
105.07015	64.6
106.07351	1.2
107.08579	60.5
109.06518	2.9
109.10144	14.9
111.08049	1.7
113.09635	1.8
117.06998	14.7
119.08563	58.0
119.09412	3.0
120.08868	1.6
121.06514	2.1
121.10130	46.2
123.08011	1.9
123.11662	4.3
128.06110	1.1
129.06970	9.3
130.35509	1.1
131.08545	24.4
131.58984	1.0
133.10104	48.9
134.10442	1.4
135.07976	2.4
135.11678	43.9
137.09595	2.4
142.07741	1.8
143.08542	10.9
145.10095	23.3
145.20023	1.3
147.08064	1.3
147.11667	55.0
148.12004	1.8
149.09598	3.5
149.13235	29.3
151.11281	1.4
157.10112	11.3
159.11674	17.4
161.09624	2.2
161.13240	34.7
162.25304	1.1
163.11159	3.0
163.14821	10.0
171.11658	16.9
173.13251	12.7
175.11224	3.3
175.14821	20.8
176.15276	1.7
177.12766	3.0
177.16264	2.3
179.14346	1.5
185.13237	14.3
187.14790	2.3
189.12738	3.4
189.16356	1.3
191.14362	1.3
199.14816	7.4
203.14223	2.9
207.13889	1.5
213.16403	4.4
215.17908	2.3
217.15857	2.0
217.19470	5.1
221.15306	1.4
231.17406	4.2
231.21043	9.2
241.19466	37.9
242.19843	2.1
259.20541	100.0
260.20929	5.3
268.77408	1.5
277.21564	13.8
333.24246	10.2
351.25256	58.4
352.25638	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.83780	2.7
55.05500	15.2
56.09212	2.5
57.03418	5.8
57.07067	5.1
58.17443	2.2
65.03914	3.7
67.05496	39.6
69.07049	14.3
70.13209	12.3
71.04979	4.5
71.08604	3.3
77.67258	2.6
79.05477	53.5
81.06555	3.2
81.07042	58.5
83.04966	4.3
83.08624	4.1
85.06512	6.1
90.75518	2.7
91.04923	4.7
91.05468	58.0
93.07027	70.7
95.04950	6.8
95.08591	31.0
95.44577	2.5
97.06525	3.5
97.10166	3.9
99.08070	6.1
105.07018	63.0
107.08585	42.7
109.10158	10.9
111.08107	2.6
117.06987	15.7
119.08562	61.5
121.10119	28.2
123.08005	2.9
129.06975	7.4
131.08536	26.7
133.10110	48.4
135.08052	3.7
135.11668	33.5
143.08553	17.0
145.10081	25.2
147.11659	53.4
149.09610	5.0
149.13242	21.0
157.10118	11.6
159.11649	21.1
161.09521	4.7
161.13210	38.2
163.11247	4.3
163.14821	8.4
165.67760	2.4
171.11661	16.2
173.13242	10.7
175.11165	3.9
175.14795	18.6
177.12756	3.3
185.13242	19.2
199.14781	10.6
206.88348	2.5
213.16434	3.8
217.19527	6.0
231.17477	3.7
231.20943	12.3
241.19490	38.0
259.20547	100.0
260.20993	8.1
277.21594	5.0
279.10510	3.2
351.21045	3.0
351.25284	57.7
352.25226	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.5
55.01854	4.7
55.05507	18.9
57.03424	10.2
57.07059	6.2
65.03931	4.3
67.05498	56.2
69.03420	4.3
69.07053	19.2
69.98866	11.3
71.04972	4.5
72.52424	2.0
75.04462	3.6
76.38912	2.6
77.03899	2.0
79.05483	70.0
81.03411	4.8
81.07046	72.7
83.04963	2.6
83.08611	9.7
85.06533	4.2
91.05469	53.6
92.05822	3.0
93.07031	98.9
94.07352	3.2
94.49786	1.8
95.04963	9.4
95.08596	46.8
97.06506	11.7
97.10161	5.6
98.20685	2.5
99.08080	5.7
105.07016	60.3
107.08582	51.9
108.08927	3.5
109.06513	5.4
109.10146	18.1
111.04457	3.6
111.08084	3.1
111.11774	2.4
113.09669	3.0
117.06998	14.9
119.04929	3.0
119.08565	54.5
121.06492	5.5
121.10126	53.8
123.08086	3.7
123.11710	5.6
125.09604	3.4
128.06200	2.4
129.06998	6.6
131.08533	23.0
132.08784	2.6
133.10114	50.7
135.08000	4.9
135.11671	44.7
137.05969	19.4
137.09615	5.2
141.06999	2.7
143.08521	11.3
145.02844	2.6
145.10112	27.4
147.08008	2.0
147.11671	51.7
148.12018	2.2
149.09605	4.7
149.13243	25.5
151.11166	4.6
157.10104	12.2
159.11659	18.5
160.28040	1.8
161.09593	3.7
161.13243	37.7
163.11163	6.5
163.14818	8.3
167.08510	2.3
167.37807	2.3
171.11690	12.5
173.05989	2.2
173.13181	11.1
174.13654	2.0
175.11157	3.2
175.14790	16.9
177.05507	3.9
177.12744	3.2
183.07991	2.2
185.13202	13.7
187.14842	2.5
189.12793	3.0
194.10966	2.2
199.14842	7.7
203.14299	2.7
205.05043	2.2
209.09515	2.6
213.16428	6.2
217.16049	2.0
217.19565	5.7
220.60608	1.9
231.17462	4.4
231.20978	9.3
231.39485	2.1
237.09236	2.1
240.11520	3.7
241.19489	37.4
242.19998	2.2
245.09647	2.0
249.18539	2.1
259.20551	100.0
260.20947	5.6
275.20453	2.1
277.17987	5.6
277.21579	16.5
292.22632	3.5
295.09656	2.5
322.09058	2.1
333.24271	8.3
351.12088	8.0
351.16275	9.3
351.21597	3.4
351.25305	64.6
352.12259	2.3
352.25244	6.2
356.20453	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	351.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
54.14369	1.7
55.01849	3.4
55.05507	19.7
57.03424	10.2
57.07055	4.0
59.91240	1.8
65.03908	2.9
67.05492	55.0
67.69051	1.8
69.03414	2.7
69.07063	18.2
71.04977	4.6
71.08630	2.1
75.04471	2.5
79.05477	72.1
80.05793	2.7
81.07045	65.4
82.89717	2.0
83.04967	5.1
83.08611	9.6
84.32036	1.7
85.06509	4.3
91.05466	61.3
92.05785	2.6
93.07027	100.0
94.07371	2.4
95.04956	6.7
95.08588	48.0
97.02902	2.2
97.06524	7.3
97.10129	2.0
98.21452	6.1
99.08087	6.2
103.05418	2.0
105.04512	2.3
105.07012	62.9
107.04952	2.6
107.08572	62.5
109.06524	5.1
109.10127	15.3
117.07005	14.0
119.08558	56.6
121.06532	3.2
121.10122	49.7
123.08102	3.4
123.11730	3.7
125.09573	2.6
129.06989	8.8
131.08548	25.5
133.10098	49.9
135.08063	2.8
135.11674	49.8
137.09613	3.7
143.08545	10.1
145.02815	2.5
145.10077	28.1
146.03235	2.1
147.11661	53.7
149.09625	4.3
149.13234	25.0
157.10107	9.7
159.11668	22.2
161.13210	36.0
163.11172	3.4
163.14838	8.4
165.07100	1.9
171.11644	17.8
173.13173	9.0
174.13609	2.1
175.11247	2.6
175.14771	19.5
177.05481	3.0
177.12804	5.1
185.13240	14.5
187.14772	3.3
189.12759	3.5
189.16406	2.3
191.14357	2.0
199.14893	6.9
203.14200	2.6
207.06519	3.1
213.16373	5.1
215.17908	2.5
217.19426	1.7
221.15323	2.0
231.17619	2.7
231.21146	7.6
241.19482	35.6
259.20538	92.8
260.20975	4.7
261.22180	2.1
267.86560	1.7
275.20053	1.9
277.21646	16.0
292.22818	3.7
333.24316	8.7
351.08575	3.1
351.12354	5.3
351.25363	65.4
352.25369	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	351.2312
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
50.44494	3.4
51.15283	3.2
53.03919	3.9
54.22200	3.6
55.01866	3.6
55.05489	10.6
57.03418	4.8
64.12839	4.0
67.05496	30.8
69.07049	14.8
71.04969	4.3
71.58363	5.6
71.58772	3.9
79.05481	19.0
81.07050	31.6
83.08569	8.6
85.26074	3.2
87.04443	4.6
91.05467	36.0
93.07025	41.8
94.97549	3.1
95.04932	8.6
95.08593	31.3
97.06532	7.9
99.04438	4.4
100.43551	3.5
105.07024	50.9
105.68514	3.4
107.04939	5.0
107.08573	41.1
107.63379	3.5
109.06511	8.8
109.10143	23.5
111.08067	11.3
112.63460	3.4
117.06973	19.1
119.08555	56.4
121.10126	63.1
123.08010	4.6
123.11694	9.9
128.06152	4.9
129.06999	16.3
130.07809	4.9
131.08551	28.9
133.10118	28.4
135.11674	9.9
137.05923	20.1
141.06935	5.4
142.07773	13.9
143.08572	23.4
144.09404	4.9
145.06506	3.9
145.10097	43.4
147.08061	6.2
147.11646	15.2
149.09584	5.2
153.07019	5.7
155.08542	14.6
156.09343	11.4
157.10107	35.2
158.10962	5.1
159.11653	30.3
161.13132	6.8
163.11139	5.5
165.07047	4.6
167.08556	9.7
168.09357	6.3
169.10132	17.0
170.10811	4.1
171.11682	15.9
173.13252	16.6
175.14783	7.6
177.09029	4.5
179.08539	6.6
181.10132	8.3
182.10820	5.9
183.07957	4.3
183.11644	23.2
184.12494	4.4
185.09540	4.1
185.13228	12.2
187.14769	22.1
192.09187	3.8
193.10130	6.0
194.10854	4.2
195.11653	19.1
196.12515	8.0
197.13225	20.1
199.11108	5.1
199.14848	8.4
207.11720	6.8
209.13208	19.8
211.11145	9.5
211.14830	9.9
213.16377	5.9
221.13242	10.4
223.14745	12.4
225.16476	4.3
229.12216	7.3
232.37907	3.9
233.13112	5.3
235.14671	5.4
237.16324	10.1
239.17957	6.4
252.18655	6.4
253.15994	4.9
253.19550	5.8
259.20581	7.1
263.17801	4.5
265.19446	10.8
291.21002	4.1
295.16827	5.2
305.22418	5.4
309.21991	5.4
333.22052	10.2
351.23068	100.0
351.29492	4.5
352.23495	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	351.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03125	2.3
53.03929	3.2
55.05490	7.1
57.07054	5.4
59.04987	2.7
66.99260	2.8
67.05479	24.0
69.07056	14.7
71.04965	4.5
74.84442	2.1
79.05475	18.9
81.07043	28.9
83.04974	3.5
83.08591	8.6
84.56537	2.3
87.04420	2.7
91.05456	25.3
93.07030	35.7
95.04940	8.7
95.08595	32.0
97.06500	6.8
99.04404	2.8
105.07017	40.1
107.04933	5.2
107.08578	32.7
109.06501	6.4
109.10130	22.9
111.08057	8.1
115.05387	3.4
117.06965	9.0
119.07748	3.5
119.08567	53.7
121.06444	3.9
121.10138	57.7
123.07980	3.9
123.11689	8.4
128.02296	2.5
128.06207	6.5
129.06982	12.5
130.07799	6.0
131.08563	26.6
133.10123	32.5
135.08003	4.7
135.11658	13.7
137.05957	18.2
139.07538	2.3
141.06940	4.2
142.07738	8.5
143.08559	21.7
144.09258	3.4
145.10114	33.9
147.07990	4.6
147.11641	18.6
149.09570	3.9
149.13251	3.0
155.08510	15.8
156.09325	8.5
157.10109	33.2
158.10826	4.4
159.07968	3.5
159.11655	25.8
161.09529	3.7
161.13216	9.2
163.11113	2.7
165.06924	7.3
167.08536	7.5
168.09282	6.3
169.10098	16.2
170.10793	5.9
171.11694	19.3
173.09590	3.5
173.13257	21.8
175.14771	8.6
179.08559	6.5
180.09297	3.0
181.10031	11.8
182.10854	4.5
183.11665	22.2
184.12505	3.1
185.13248	12.9
187.11154	6.5
187.14793	18.5
193.10103	8.9
194.10889	4.1
195.11638	18.1
196.12480	5.7
197.09607	3.0
197.13231	17.7
199.11201	2.9
199.14771	8.6
200.15459	5.1
201.12689	5.2
207.11578	4.9
208.12489	4.2
209.13251	22.3
210.14015	5.8
211.11092	9.5
211.14743	9.3
213.12576	4.0
213.16347	5.8
215.10590	2.7
220.12540	2.9
221.13168	6.5
223.14734	10.3
225.12741	3.3
225.16299	7.7
229.12167	7.2
229.41141	4.1
233.13045	2.6
235.14769	9.2
237.16354	8.8
239.14333	3.5
239.17902	8.4
247.14648	2.8
249.12732	3.1
249.16287	3.8
251.17953	3.7
252.18567	5.4
253.15739	3.0
253.19472	4.1
257.15173	3.6
259.20599	5.3
263.17847	3.7
263.20465	2.7
265.19492	10.7
277.15747	2.6
277.21826	3.1
280.21814	4.2
283.17194	3.3
288.00931	2.5
290.20148	4.0
293.18869	2.7
295.16885	5.6
305.22556	6.2
309.22095	3.1
323.23547	4.7
333.22076	12.3
351.23077	100.0
352.23444	8.1
364.73712	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01853	1.6
55.05489	1.7
57.03413	2.5
60.04513	0.8
67.05172	0.5
67.05489	2.5
67.05809	0.5
69.03420	1.5
69.07059	2.6
70.06564	0.6
71.04993	0.8
71.66073	1.2
79.05482	4.1
81.03421	0.5
81.07051	3.4
83.04969	0.8
83.08613	0.6
91.05463	4.6
93.07014	2.9
95.01945	0.6
95.04959	1.3
95.08585	2.7
96.35420	0.5
96.69584	0.5
97.02876	0.6
97.06496	3.2
99.08053	0.7
105.07030	2.9
107.04918	0.8
107.08568	2.3
109.06480	0.7
109.10162	1.0
117.03395	0.6
117.07001	1.2
119.04958	1.5
119.08583	1.9
121.10130	4.0
123.08117	0.5
128.06183	0.6
129.06956	0.9
131.08530	1.1
132.09352	0.6
133.10068	2.2
135.08043	0.7
137.05949	1.2
141.06987	0.7
145.02827	0.7
145.10110	0.8
146.03218	0.5
147.04376	1.1
147.11671	1.2
153.06927	1.3
157.06448	1.0
159.11627	0.6
161.13240	0.6
162.12787	1.0
163.11154	0.9
165.06982	1.1
167.08604	1.4
169.06526	0.7
175.03864	1.6
177.05449	1.2
177.06949	0.8
177.12753	0.8
178.05779	1.0
178.07716	1.0
179.08481	0.8
180.13857	1.6
181.06543	0.8
182.07234	0.7
183.08040	2.1
186.06677	0.7
193.09979	0.6
195.08038	1.8
197.05956	0.7
197.09641	0.8
199.07495	0.6
205.06584	0.9
207.06483	2.3
209.05971	0.9
209.09593	1.1
211.07550	1.7
212.11952	1.0
215.11389	0.8
221.09615	1.2
223.07516	3.5
223.11182	0.7
225.09087	1.9
231.02840	1.6
231.10916	0.6
237.09058	2.5
240.11401	2.0
248.08110	0.7
248.91991	0.6
249.08995	1.8
251.06920	1.1
253.08495	1.1
253.12823	0.9
267.09949	0.6
269.08063	3.2
271.13785	0.8
275.20053	1.1
277.12158	0.6
277.21576	0.8
279.13889	1.5
292.22635	1.8
295.09570	4.7
296.10190	0.9
297.07596	1.5
297.30685	0.6
309.07666	4.2
333.10956	0.8
333.19968	0.6
351.12347	10.5
351.21356	100.0
352.12476	1.6
352.17505	1.0
352.21097	4.8
352.25668	2.7
372.54312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1069
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
53.11828	1.3
55.01854	1.9
57.03424	7.2
61.73445	1.5
69.03405	2.2
70.06568	3.1
70.94785	3.3
70.95123	1.6
74.35220	1.5
79.05470	1.4
81.03433	1.3
83.04942	1.8
85.02905	1.2
87.87379	1.5
91.05457	2.8
95.04965	3.0
101.46950	1.4
116.73470	1.5
120.08069	1.8
123.04432	2.4
128.06201	4.5
129.06921	2.5
135.04375	1.5
139.05417	2.3
141.06941	4.8
142.07745	2.0
143.08545	7.1
145.02803	4.2
145.06459	1.7
145.10170	1.7
147.04355	4.0
151.03914	1.9
152.06166	4.6
153.06955	2.9
155.08556	2.4
157.06459	4.0
160.05177	2.2
161.05930	6.3
165.06966	2.8
167.08513	13.0
168.23665	1.4
169.06461	5.8
171.07991	7.0
173.05933	4.2
173.09564	2.1
174.06767	2.0
175.03932	2.4
175.07541	8.0
177.05412	5.5
177.06841	2.4
179.08528	8.3
181.06387	8.3
182.07271	4.2
183.08029	2.9
184.05153	3.2
185.05972	4.6
185.09674	3.4
187.07504	5.5
189.05495	3.0
189.07127	1.6
189.09068	8.8
191.03362	4.9
195.08032	15.3
196.05138	1.5
197.05963	7.9
197.09624	10.5
198.06653	5.8
199.07520	12.6
200.08284	1.5
201.05452	1.5
201.09030	5.4
203.07016	9.2
205.06467	1.7
207.08002	5.4
209.05928	2.5
210.06795	6.3
211.07503	3.5
213.05478	18.9
213.09071	20.3
214.05887	2.4
215.06973	9.0
217.08563	41.2
218.08940	1.7
223.07523	13.2
224.08142	2.4
225.05499	1.8
225.09067	18.7
226.06221	11.4
227.06992	12.6
228.07677	6.3
234.06583	1.6
235.07562	2.6
238.06061	1.4
241.04784	5.8
241.08563	82.8
242.05618	1.7
242.09048	3.8
243.06421	1.4
243.10107	5.4
245.08113	6.0
251.07033	9.5
253.08569	12.6
255.06459	2.1
259.06107	3.1
259.09644	6.3
261.11191	4.2
267.06464	6.0
269.08026	27.0
270.08673	3.6
271.09613	9.3
273.07605	4.3
279.06415	2.8
287.09109	100.0
288.09482	4.6
297.07526	24.3
305.10101	7.6
315.05081	2.3
315.08612	37.5
333.09583	8.9
351.10751	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	351.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11084	0.4
55.01840	0.5
55.65381	0.4
57.03428	0.5
62.06063	0.8
65.03933	0.6
66.08118	0.4
67.05458	1.0
69.03410	0.7
69.26148	2.3
69.26572	2.7
70.06581	1.1
72.08111	0.5
76.05674	0.5
79.05470	0.6
81.03400	0.5
81.07055	0.6
83.05003	0.7
84.08100	0.6
86.09710	0.5
91.05468	0.7
95.04946	1.3
105.07009	0.6
109.58494	0.4
111.04405	0.6
116.07083	0.5
117.03399	2.4
117.06986	0.7
121.02818	1.1
128.06245	0.7
131.04930	0.7
133.06531	0.7
136.07509	0.5
141.06984	0.4
145.02843	5.2
145.06538	0.5
146.06044	0.6
147.04361	1.2
147.07985	0.8
149.05986	0.9
153.07030	0.7
161.05994	0.7
161.09633	0.6
163.03900	0.6
164.07025	0.6
167.08429	0.5
170.08060	0.6
171.07988	1.0
173.05934	0.7
173.09535	0.6
175.03937	0.8
175.07399	1.1
175.08707	0.9
177.05461	7.5
179.08359	0.5
182.08136	0.9
185.05890	1.0
185.10863	0.6
187.07382	0.7
189.05408	0.8
189.08992	1.1
189.10458	0.5
195.08040	1.7
197.06044	0.8
197.09486	0.5
199.07019	0.6
199.08893	2.6
200.09453	9.6
201.10251	9.5
202.10936	0.8
207.10161	0.7
212.09361	0.6
213.05464	1.3
213.10327	8.1
214.06035	0.5
214.10974	6.4
215.11783	20.3
216.12302	1.3
217.08607	3.4
219.11285	9.7
223.07521	1.3
225.09131	1.8
226.06273	0.6
226.10927	2.5
227.11728	1.6
228.08975	1.1
228.12537	3.6
231.02841	1.3
231.11340	3.1
232.12012	0.7
234.06712	0.6
235.07520	0.9
241.04889	0.6
241.08357	7.0
241.13333	5.3
242.10503	12.2
242.14018	0.7
243.11366	2.8
245.04175	0.7
245.08118	1.0
251.06935	1.3
253.08643	0.6
254.10400	1.0
255.11284	1.3
256.11996	3.3
259.10703	3.6
259.14108	0.5
260.11554	4.3
261.12241	1.9
262.06247	0.5
263.07028	1.3
269.08127	2.4
269.12802	4.7
271.09567	0.9
271.14404	0.7
272.11542	0.7
273.07489	0.7
274.13092	1.1
276.07709	0.6
277.08734	1.1
277.11792	4.4
280.11832	0.6
282.10184	0.8
287.09146	7.0
287.13782	3.5
289.15320	1.4
290.05557	1.0
291.06381	1.5
297.07489	1.2
297.12244	6.9
300.10971	2.3
305.10397	0.7
305.14719	0.7
308.06616	0.8
309.07669	0.6
315.08731	3.0
315.13321	18.7
316.13916	1.1
320.06171	0.6
323.09058	1.7
333.07605	1.7
333.10623	0.9
333.14389	18.9
334.14697	1.1
336.06259	0.5
351.08630	3.8
351.11368	3.8
351.15457	100.0
352.11563	0.8
352.15762	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	351.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01697	4.1
57.63921	4.2
71.10910	11.1
97.59699	4.6
106.38929	4.2
134.49770	4.5
138.24449	4.6
154.31985	4.7
189.04575	4.4
201.34981	4.9
210.20180	4.9
351.06805	100.0
351.10815	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	351.1071
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
53.06354	2.5
57.03437	14.8
61.29742	3.4
67.05493	11.2
69.03405	4.0
70.05812	5.0
70.06223	10.5
70.06573	4.4
71.04983	3.8
79.05496	4.4
90.04268	4.6
90.86027	3.5
91.05466	4.7
95.04955	10.9
97.02876	17.3
103.05450	3.4
105.07008	6.0
107.04952	4.4
109.21767	3.5
113.06013	10.8
114.05532	13.1
117.03393	8.2
117.07080	5.5
118.03720	10.5
119.08583	5.1
123.04478	6.4
128.06189	5.8
129.06972	5.6
131.04942	8.6
135.11687	3.5
138.05487	7.9
139.05777	4.0
141.06978	5.9
143.08560	8.7
145.02831	25.8
145.06458	5.9
145.10098	3.9
146.03157	24.4
147.04404	10.2
147.08051	3.8
149.05936	6.9
152.06293	3.2
153.06992	8.0
155.08513	6.5
157.06500	9.0
159.08009	4.0
160.05194	13.0
161.05974	49.7
163.07498	7.0
165.07086	3.5
167.03377	5.2
167.08540	12.7
168.05714	3.8
169.06534	6.9
171.08124	8.7
172.05016	2.9
173.05954	12.2
173.09615	4.3
174.06773	3.8
175.03917	10.7
175.07568	16.4
176.04706	5.8
177.05432	48.4
178.05762	41.4
179.08534	7.2
181.06451	7.8
183.08031	6.3
185.05943	11.1
187.07509	88.2
189.05457	7.1
189.09070	33.0
191.03394	4.8
191.06978	7.0
193.05028	10.7
195.08096	16.5
197.05983	10.1
197.09604	8.7
199.07582	21.5
201.09146	13.1
203.07053	10.3
204.07770	4.8
205.08582	27.8
209.05978	4.6
210.06760	5.6
211.07480	5.5
213.05473	17.6
213.09053	23.5
215.07004	9.6
215.10680	4.9
217.08578	96.2
217.10600	6.4
218.09012	4.0
219.10135	7.7
221.04388	8.8
223.07544	13.7
223.44221	3.1
225.09091	18.1
226.06218	8.6
227.06961	16.0
228.07797	7.3
229.08427	5.2
231.06419	17.2
233.08092	4.3
241.05031	6.8
241.05948	5.4
241.08554	90.7
241.10976	5.2
242.08833	4.7
243.10120	11.1
245.08076	27.0
246.08565	3.4
253.08588	10.1
255.06602	4.4
258.05081	7.7
259.09631	20.5
261.11270	13.4
269.08084	29.7
271.09637	18.0
273.07565	8.9
277.10663	9.5
287.09097	100.0
288.09509	5.9
297.07602	16.7
305.10184	27.8
315.08499	41.5
333.09665	25.1
351.04251	4.1
351.11044	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	350.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01851	0.6
56.05038	0.5
57.03437	0.6
60.04518	1.5
60.28688	0.4
64.89323	0.4
67.05515	0.5
68.05024	5.3
69.03426	2.7
70.06576	1.7
70.86533	1.5
79.05473	0.5
79.86887	0.4
81.07043	0.5
82.06579	0.5
84.04499	2.7
84.08131	1.1
85.02924	0.6
86.06043	2.0
86.09696	0.6
89.03899	7.8
91.05460	1.4
91.46931	0.5
95.04960	1.0
95.51785	0.5
96.04483	8.0
97.02882	23.9
97.06496	0.6
105.03332	0.5
105.64668	0.4
110.06020	0.8
114.05512	17.6
117.03366	27.4
118.03703	0.5
125.04683	0.5
134.03604	1.1
135.04381	1.7
138.05489	14.6
145.02829	62.0
146.03125	0.9
147.04387	0.6
149.05954	8.0
156.06540	5.5
161.05974	0.6
163.03912	1.0
164.07152	0.5
177.05446	100.0
178.05809	2.3
179.08472	0.7
181.06425	0.5
186.05464	1.5
186.09148	0.7
187.07718	0.6
189.05417	0.7
189.09032	0.8
192.06636	0.4
198.06900	0.6
199.07497	1.1
201.09052	0.5
203.07030	0.5
203.09401	0.6
207.07681	1.3
213.05486	1.3
213.09149	1.3
214.08476	0.7
217.08609	1.6
221.10474	2.0
223.07651	1.1
225.09145	1.0
225.94861	0.5
226.06160	0.8
227.06834	0.7
241.08594	5.9
244.09726	0.6
251.07201	0.5
253.08505	0.8
269.08051	1.1
273.07379	0.8
274.10834	0.5
279.06204	1.1
287.09079	5.2
297.07617	1.2
302.10211	6.5
307.05545	0.6
307.12772	0.6
315.08582	2.0
317.12289	0.5
322.07935	0.6
332.11081	0.7
332.14868	7.4
350.07672	1.2
350.12283	23.7
351.08444	0.5
351.12646	0.6
374.28186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1342
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03915	1.0
53.97791	0.3
55.01863	1.7
57.03431	2.9
59.82629	0.3
61.02913	2.1
68.05013	0.6
69.03062	0.5
69.03419	9.3
71.01328	1.1
71.04977	2.1
73.02895	1.0
81.03416	1.7
84.04462	0.4
89.03890	1.2
91.05461	1.2
96.04465	1.0
97.02872	3.7
98.20724	1.7
99.04429	1.6
114.05500	2.7
116.04945	0.5
117.03357	3.8
118.06535	3.7
120.08117	0.5
128.07068	0.4
132.06837	0.6
132.08057	1.0
134.03589	0.5
138.05484	2.3
145.02814	8.8
145.07576	15.6
146.08385	0.9
147.04364	1.0
147.09145	21.2
149.05920	1.3
156.06538	0.5
157.07616	0.7
159.09163	8.4
160.09897	1.6
161.06081	0.4
161.10724	0.8
173.07140	1.4
173.10771	1.3
175.08653	1.2
177.05449	12.5
184.09892	0.5
185.10739	2.8
186.11417	0.5
187.08727	0.7
187.12332	1.0
189.10316	0.6
191.08131	100.0
192.08456	1.9
197.10709	1.5
199.08728	0.9
199.12335	1.0
201.10193	0.8
211.64482	0.3
213.10161	1.5
215.11794	1.4
216.07668	9.9
217.08466	0.6
225.10219	1.0
230.45691	0.5
231.11250	0.5
233.09262	0.5
241.08607	2.0
243.11223	0.4
245.09219	0.8
245.12785	0.4
263.13916	7.0
271.10602	0.8
280.07358	0.4
287.09152	0.6
289.11792	3.1
307.12845	56.3
308.13092	1.3
308.86853	0.4
337.11938	0.4
346.65979	0.4
350.13403	51.5
351.13754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00417	1.2
53.03937	1.7
55.01854	2.6
55.02311	1.1
55.05502	9.2
57.03415	4.6
58.06595	20.2
60.04522	8.3
65.03901	1.5
66.41093	1.0
66.69966	1.1
67.05499	19.2
68.05017	15.8
68.05826	1.5
69.03407	2.8
69.07057	12.4
69.36976	4.8
69.37409	6.9
70.06579	2.1
71.04979	9.6
72.08126	2.4
79.05485	18.0
79.16473	1.1
80.03224	1.0
81.03417	5.3
81.07043	19.5
82.06585	5.4
82.07368	2.0
83.04959	5.1
83.08596	3.4
84.08132	11.5
85.06511	1.2
86.09675	7.6
89.03880	1.6
91.05464	16.2
93.07033	15.7
94.06550	1.6
94.07361	1.6
94.25294	1.2
95.04948	7.1
95.08585	13.8
96.04459	4.3
96.08117	100.0
96.44675	1.2
97.02857	4.7
97.06503	6.6
97.08931	7.0
97.10139	1.6
98.21439	2.5
100.07619	7.5
105.07007	12.5
106.07352	2.3
107.04929	3.9
107.08582	10.9
108.08112	1.6
108.08900	1.3
109.06500	4.6
109.10138	4.2
110.06008	1.8
110.09640	1.3
111.08048	3.1
112.07587	34.4
113.05979	1.2
114.05497	6.2
117.03397	5.5
117.06959	7.7
119.08559	11.5
120.08929	1.9
121.06462	3.8
121.10113	6.0
122.09653	2.0
123.08064	1.6
124.07562	6.7
126.09151	1.7
128.10704	9.7
129.06970	3.1
131.08553	10.5
132.08884	1.6
133.06477	2.4
133.10103	6.6
134.10509	1.1
135.08037	7.4
135.11694	5.9
137.09583	1.3
138.05473	4.4
138.09125	19.0
143.08554	1.5
145.02821	14.0
145.10112	7.7
146.10509	1.6
147.08044	3.8
147.11682	3.1
148.11111	1.7
149.05971	1.6
149.09592	2.9
149.13257	2.6
150.09061	1.3
156.06549	2.0
157.10091	3.7
159.11661	4.8
161.09583	3.4
163.11147	2.2
169.10132	1.9
170.11760	2.3
171.11649	1.4
173.09726	1.3
173.13242	1.7
175.14828	1.3
177.05446	29.2
177.12756	2.1
178.05891	1.5
183.11740	2.1
185.13225	2.1
187.11087	1.2
189.12756	1.5
191.10609	1.6
194.11697	1.2
219.13963	1.1
223.13278	1.4
224.10681	2.8
245.18945	3.0
255.17549	1.5
258.19327	2.5
262.14697	1.4
264.19836	1.2
272.19870	1.3
273.18411	16.7
274.18805	1.5
276.20325	3.6
290.21100	12.4
291.19412	9.9
308.22098	9.9
332.22202	4.8
350.12399	4.4
350.19952	20.9
350.23309	47.7
351.07907	1.5
351.12170	3.6
351.20804	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
57.03418	1.6
60.04512	0.9
63.51943	0.4
65.13485	0.5
67.27003	0.5
68.05022	3.2
69.03405	1.9
70.06559	2.2
70.94814	1.8
84.04481	2.4
86.06043	1.5
86.09679	0.8
89.03900	7.1
95.04919	0.7
95.52624	0.5
96.04480	7.2
97.02881	24.3
109.02868	0.6
110.06003	0.8
113.05940	0.7
114.05517	18.5
117.03363	26.3
119.04988	0.6
126.19749	0.7
134.03575	1.3
135.04405	1.7
138.05473	15.0
145.02829	62.0
146.03149	1.6
147.04366	0.9
149.05969	8.2
156.06531	6.7
158.06041	0.6
161.05974	2.9
162.05350	0.6
163.03865	1.2
167.08633	0.6
171.08076	1.1
173.06032	0.8
175.03851	0.6
175.07504	1.7
175.39511	0.5
177.05446	100.0
178.05753	3.0
186.05501	1.0
187.07509	6.4
189.05376	1.5
189.09058	2.2
191.03378	0.9
195.07962	1.0
197.09587	0.6
199.07552	2.0
201.09145	1.2
203.07082	1.1
205.08615	1.7
207.53314	0.6
213.05489	0.9
213.09071	1.8
215.06982	0.6
217.08551	6.4
221.04507	0.6
223.07599	1.0
227.07013	1.2
231.06458	1.1
241.08510	5.4
245.08011	1.7
259.09726	1.6
269.08032	2.0
273.07394	0.6
277.10574	0.6
287.09137	5.9
297.07547	1.1
304.05249	0.6
305.10150	1.6
315.08456	1.7
333.09604	1.6
350.12299	24.5
351.10464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03953	0.5
55.01856	0.7
55.05503	6.1
57.03424	0.7
57.07060	1.5
67.05502	5.7
69.06698	0.7
69.07058	11.6
70.02521	0.8
70.02927	1.8
71.04978	1.9
71.08598	0.7
73.06538	0.8
79.05495	4.8
81.07050	8.7
83.04961	1.2
83.08604	4.2
85.06527	0.8
91.05457	2.7
93.07034	5.9
95.04957	0.9
95.08595	8.0
97.06528	2.6
97.10169	0.9
97.18316	0.5
99.08041	0.6
101.05990	0.6
105.07010	3.1
107.04949	0.6
107.08581	5.9
109.06499	11.6
109.10135	3.6
111.08073	1.7
117.07023	0.7
119.08560	3.8
121.06467	0.7
121.10122	3.3
122.07290	0.9
123.08054	65.2
123.11694	2.3
124.08365	1.1
125.09653	0.8
131.08554	0.9
133.10081	3.9
135.08040	4.6
135.11674	1.5
137.09616	3.9
137.13159	0.5
137.82381	0.5
143.08588	0.7
145.10126	1.7
147.11696	2.4
149.09566	1.6
149.13240	2.1
151.11174	0.9
159.11720	1.0
161.13292	1.0
163.11201	0.6
165.12724	1.1
168.91093	0.5
173.13229	0.8
179.14294	10.7
192.32359	0.5
205.08601	0.5
233.18826	0.7
247.20642	0.9
247.89127	0.5
275.19955	2.5
289.25220	1.1
293.17746	1.0
293.21066	19.3
294.21262	0.7
303.26801	0.9
307.22437	0.7
318.67548	0.5
331.26389	3.3
349.27332	100.0
350.27737	4.5
373.60556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.29560	0.6
53.87990	0.7
55.01860	1.3
55.05503	8.7
57.03423	2.7
57.07065	2.5
59.04991	0.9
60.54064	0.7
64.31718	0.8
66.64046	0.5
67.05495	10.0
69.07056	18.0
70.71352	2.5
71.04980	1.9
73.06547	0.8
79.05476	9.1
81.07044	16.1
81.77388	0.6
83.04974	2.0
83.08595	6.2
85.06532	1.4
87.69647	0.7
91.05470	6.4
93.07032	9.3
93.18964	0.6
95.04963	1.3
95.08589	11.6
97.06522	3.0
97.10177	1.0
105.07009	6.5
107.04964	0.9
107.08588	10.2
107.60019	0.6
109.06500	16.0
109.10142	5.4
110.10464	0.6
111.08068	3.4
112.46371	0.6
117.07031	1.7
119.08568	6.4
121.06493	0.7
121.10115	5.6
123.08054	99.2
123.11684	2.2
124.08384	1.2
125.09627	0.6
131.08560	2.2
133.10104	4.5
135.08037	7.5
135.11699	3.6
137.09602	4.9
145.10121	2.1
145.56108	0.7
147.11661	3.9
149.09595	2.1
149.13217	3.0
151.11154	1.3
157.10204	0.9
159.11710	2.4
161.13231	2.1
167.14381	0.8
171.11656	0.7
173.13278	1.4
175.14708	0.8
177.12791	1.0
179.14288	7.8
193.37250	0.7
195.13702	0.7
201.83093	0.6
233.19009	1.0
247.20584	1.1
275.20050	4.9
289.25253	1.5
293.21082	23.2
294.21472	0.9
307.22583	1.4
331.26346	4.3
349.27332	100.0
350.27667	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	349.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.62240	2.3
55.01865	6.9
55.05513	25.2
57.03421	11.2
57.07053	5.4
62.22092	2.3
65.03909	4.5
65.48193	2.7
67.05494	61.0
69.03419	2.4
69.07054	51.3
71.04987	9.8
71.40932	4.3
71.41261	2.8
79.05484	75.7
81.03382	3.7
81.07049	71.4
83.04978	9.3
83.08613	17.0
85.06513	4.3
88.45560	2.7
91.05470	74.3
91.76192	2.5
93.07034	74.5
95.04959	34.6
95.08594	55.4
97.06516	23.5
97.10151	7.9
103.05444	3.9
105.07014	100.0
105.51199	2.5
106.07266	3.0
107.04916	5.4
107.08585	89.4
109.06506	21.7
109.10133	35.3
111.08059	5.6
112.99936	2.9
115.05415	5.6
115.37668	2.3
117.07016	21.3
119.05937	2.8
119.08563	73.1
121.06481	10.1
121.10124	82.1
123.08056	15.2
123.11666	8.7
125.09581	9.3
128.06215	9.8
129.06990	10.5
130.07785	6.2
131.08543	51.5
133.10110	48.3
135.08031	20.5
135.08968	3.9
135.11681	20.2
137.09566	3.9
141.06944	3.7
142.07750	10.7
143.08525	22.1
144.09312	5.5
145.06403	3.5
145.10118	54.5
146.07204	2.5
147.08032	4.8
147.11690	20.8
149.09599	17.6
149.13225	6.0
151.11226	3.6
153.07008	3.8
155.08498	9.7
156.09349	10.3
157.10083	30.6
159.07996	4.4
159.11668	24.2
161.09615	16.7
161.13197	10.2
163.11153	12.0
165.06889	2.7
167.08455	4.0
169.10147	15.7
170.10777	3.4
171.11696	14.6
173.09605	4.1
173.13200	18.4
175.11179	5.4
175.14812	9.0
177.12799	3.5
179.08521	9.2
179.14276	21.5
180.09181	2.8
181.10089	5.9
182.10872	3.6
183.11603	14.8
184.12349	5.0
185.13222	13.9
187.11232	3.6
187.13188	2.7
187.14745	15.2
189.11195	4.0
189.12746	6.4
194.10829	4.2
195.11638	8.9
196.12463	5.5
197.13257	14.7
199.14842	7.6
207.11699	3.7
209.13277	14.1
211.14819	5.2
213.16327	5.2
221.13145	3.5
223.14827	6.3
225.16281	3.3
227.14296	4.3
239.17892	8.4
251.17921	4.5
257.18958	5.0
275.20044	30.7
276.20560	3.3
321.25800	3.1
331.24188	5.2
349.23941	33.2
349.27625	8.4
350.24417	2.9
359.04443	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.7
55.01859	4.9
55.05496	21.9
57.03431	3.1
57.07066	8.0
67.05499	36.8
69.03431	5.6
69.07059	22.3
71.04975	4.6
71.49818	5.1
71.61868	3.3
78.13075	3.0
79.05482	41.3
81.06612	5.3
81.07042	51.7
82.07346	2.8
83.04968	5.6
83.08612	5.9
91.05473	64.6
93.07030	82.5
95.04962	33.7
95.08593	58.2
97.06507	16.5
97.25930	2.8
103.05410	4.4
105.07014	100.0
107.08580	55.9
109.06499	14.1
109.10135	43.1
111.08003	3.0
115.05408	5.4
116.06260	6.0
117.07024	21.3
119.08561	88.4
121.06513	12.1
121.10126	84.5
123.08059	12.4
123.11693	15.9
128.06223	13.5
129.06995	19.0
130.07784	4.5
131.08553	57.0
133.06494	4.2
133.10106	53.5
135.08054	12.9
135.11644	18.8
137.09555	6.2
141.06956	8.3
142.07744	15.7
143.08536	40.8
144.09328	10.2
145.10100	67.3
146.07222	3.8
147.08043	9.3
147.11681	21.3
149.09569	14.5
155.08560	15.9
156.09331	15.1
157.10115	48.4
158.10814	5.3
159.08035	8.2
159.11684	31.3
161.09601	29.4
161.13263	10.1
165.07004	3.8
166.07744	4.7
167.08551	9.9
169.10121	22.9
170.10823	7.5
171.11647	23.9
173.09592	8.8
173.13254	20.6
173.93639	3.0
175.11150	6.3
175.14780	10.1
179.08618	9.5
179.14296	9.1
181.10094	10.3
182.10841	5.2
183.11656	18.4
185.13231	17.2
187.11201	5.6
187.14804	21.6
187.16252	3.2
193.10042	4.7
194.10890	7.6
195.11656	17.1
196.12421	4.4
197.13255	13.4
198.13773	4.1
199.14871	10.1
200.15491	3.9
203.14282	3.8
207.11740	8.9
209.13194	22.4
210.14000	3.6
211.14803	14.5
213.16408	4.4
221.13271	5.1
223.14761	6.6
225.16438	7.5
227.14311	8.9
236.39653	3.8
237.16393	3.9
239.14226	3.4
239.17899	10.3
247.14616	3.3
251.17987	5.5
253.19489	4.4
265.19519	7.2
266.20065	3.7
267.17789	3.4
275.17551	4.2
275.20233	3.6
279.17297	4.6
293.18951	6.6
302.18503	2.8
321.25800	3.5
331.24042	5.8
349.24860	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07799	2.0
53.03933	9.2
55.01865	14.2
55.05239	4.3
55.05501	54.1
57.03428	22.3
57.07061	4.1
59.04993	3.7
65.03931	5.0
67.05141	4.0
67.05495	60.3
68.05805	1.8
69.03415	4.6
69.07062	31.1
69.32426	12.0
69.32856	9.0
70.85796	1.7
71.04984	7.1
74.06808	1.8
74.54215	1.9
76.33701	1.9
79.05482	100.0
81.03407	9.1
81.07043	60.3
83.04967	21.9
83.08604	13.8
91.04926	3.5
91.05465	48.8
93.07030	74.1
95.01303	4.9
95.04958	13.6
95.08582	29.1
96.04489	2.3
97.06514	17.2
97.10149	24.4
103.05450	3.5
105.07011	54.7
106.07325	2.1
107.04932	32.0
107.08578	67.2
109.06493	9.7
109.10137	26.0
111.08055	6.4
111.93804	2.0
115.05458	2.3
115.46729	1.7
117.06991	19.4
119.08556	39.8
120.08897	2.1
121.06474	3.8
121.10134	25.1
121.20237	2.1
122.09677	2.7
123.04427	2.1
123.08035	8.8
123.11699	2.9
125.09588	17.5
125.48928	2.1
129.06950	6.5
131.08540	23.5
133.10114	25.7
135.08070	8.7
135.11646	12.7
137.09576	4.3
138.12744	3.0
141.06964	2.9
143.08519	3.7
145.10059	20.0
147.08023	5.8
147.11647	16.1
149.09589	43.1
149.13268	4.1
150.09955	3.6
152.10687	3.6
153.09074	4.0
157.10065	4.7
159.11684	10.0
161.09578	2.8
161.13243	6.4
163.11189	5.5
163.14781	2.9
169.10023	2.5
169.12218	2.5
171.10222	2.8
171.11748	5.9
173.11804	4.1
173.13252	8.2
177.12752	3.6
179.14291	15.8
180.13809	3.9
183.11707	3.6
185.13466	2.4
187.11165	2.7
187.13177	2.7
189.11189	7.7
197.13106	2.5
205.12270	2.3
208.13431	3.2
209.15324	4.9
223.13257	3.8
229.19548	5.7
239.17862	2.7
247.20508	3.6
257.18954	9.7
273.18448	6.9
275.20013	41.8
276.20471	4.2
290.21158	4.3
291.19510	8.2
308.22217	5.9
332.22183	5.3
349.13113	7.3
349.23694	28.1
349.27396	7.0
349.33804	4.3
350.23224	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.0
55.01856	17.2
55.05511	26.8
57.03216	2.3
57.03423	27.2
57.07053	5.4
61.02874	3.5
65.03912	3.4
67.05157	5.1
67.05499	84.4
69.03420	6.2
69.06697	5.1
69.07057	63.2
69.76698	17.1
70.06617	3.5
71.04980	5.0
78.57406	2.6
79.05477	70.8
81.03409	32.6
81.07047	90.7
83.04993	12.6
83.08614	16.4
85.06523	5.0
91.05469	69.6
93.06448	4.2
93.07030	75.8
95.01302	20.0
95.04963	22.7
95.08105	2.4
95.08596	61.2
97.02888	6.6
97.06516	24.7
97.10118	6.8
98.21474	2.9
103.05412	3.0
105.07010	100.0
106.07353	2.8
107.04953	34.6
107.08574	40.6
109.06499	11.7
109.10134	20.6
111.08054	4.4
113.06075	2.5
114.13460	2.5
115.05460	4.3
117.07001	28.2
119.07750	5.2
119.08559	63.4
121.06470	10.8
121.10129	20.1
121.93312	2.7
122.66418	2.5
123.04348	3.5
123.08061	15.2
123.11674	6.3
125.09603	4.7
129.06972	7.3
131.08537	38.5
133.03462	7.2
133.06487	4.4
133.10117	55.2
135.08009	7.8
135.11691	15.2
136.06131	3.6
137.09612	6.6
138.46930	2.4
141.06952	5.5
143.08524	9.8
144.09361	2.8
145.06474	10.0
145.10133	36.7
147.11658	31.7
149.09589	16.0
149.13254	11.0
151.04626	3.3
151.11169	5.1
157.10149	6.2
159.11652	26.3
161.02904	4.0
161.09564	2.6
161.13232	12.2
163.11131	8.8
165.09076	4.5
169.10143	6.6
171.11798	6.0
173.13258	6.1
177.12717	9.9
179.14265	28.8
183.11606	8.2
187.11163	9.5
187.14775	5.4
197.13191	5.3
205.12074	4.5
217.05620	3.0
219.11630	4.4
219.17465	7.7
229.19424	4.7
239.17979	5.1
247.20407	4.2
257.18936	11.9
275.20041	63.0
276.20493	4.3
301.20151	5.7
349.10342	2.9
349.23877	44.3
349.27621	5.6
349.33798	6.3
350.23904	3.6
365.06131	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01862	16.7
55.05502	43.9
56.15623	1.5
56.96556	2.0
57.03427	27.2
64.95609	1.5
65.03926	4.9
66.07504	1.4
67.05493	57.0
69.03412	5.4
69.07061	30.3
70.29082	7.5
71.05017	2.4
79.05481	100.0
80.05816	2.6
81.03406	5.0
81.07043	53.1
83.04964	8.4
83.08609	16.9
85.06537	2.6
91.05467	69.3
92.05776	2.8
93.07030	55.6
95.01356	2.4
95.04945	12.7
95.08591	29.7
96.77097	1.7
96.77726	1.7
97.02895	6.7
97.06521	22.6
97.10149	14.5
98.21354	2.0
100.57259	1.8
103.05441	2.5
105.04517	2.7
105.07015	86.1
107.04944	27.8
107.08578	96.4
109.06490	9.3
109.10146	20.4
111.08059	4.7
114.05505	3.0
115.05472	2.2
117.03384	4.6
117.06998	22.7
119.08559	43.5
121.06476	3.4
121.10120	17.4
123.08072	3.6
123.11731	4.5
125.09626	16.8
128.06200	2.1
129.06949	8.0
130.07765	2.7
131.04955	2.9
131.08537	32.3
131.09453	2.3
132.08926	2.4
133.06471	2.5
133.10110	39.0
135.08057	6.5
135.11650	12.6
137.09616	2.8
141.06960	3.3
142.07727	2.6
143.08513	10.5
145.02856	7.0
145.06438	2.6
145.10101	71.9
146.10481	2.5
147.08083	2.3
147.11671	35.7
149.06015	2.2
149.09581	30.0
149.13216	4.0
151.11269	1.7
155.08560	4.2
156.06702	2.3
157.10071	8.9
159.08101	2.1
159.11670	29.2
161.09641	4.8
161.13196	10.5
163.11186	7.8
167.08537	1.8
169.10187	6.4
171.10304	2.5
171.11667	16.1
173.09744	1.9
173.11882	2.8
173.13161	8.6
175.11205	2.8
175.14780	3.5
177.05481	13.2
177.12721	3.5
179.10753	2.2
179.14261	4.0
183.11662	9.4
185.13266	6.2
187.11168	3.7
187.14809	2.1
189.11195	11.6
195.11806	1.8
195.13640	1.6
197.13242	7.0
201.12811	2.1
203.14264	2.5
205.08682	3.3
208.28897	2.0
219.17381	5.6
221.15361	2.1
224.10735	6.2
229.19501	6.0
239.17883	14.2
247.20538	1.8
252.10332	2.2
257.18967	42.8
258.19278	2.6
275.20007	64.5
276.20465	2.0
331.22723	3.9
349.10675	3.3
349.14557	11.0
349.19943	6.7
349.23761	64.8
350.17535	5.6
350.23663	4.1
361.79025	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
53.03938	10.5
55.01868	13.5
55.05238	3.2
55.05502	44.3
56.96295	1.4
56.96554	4.4
57.03427	23.5
57.07061	3.7
58.11680	1.4
60.49781	1.3
65.03928	4.2
67.05494	73.6
69.03422	3.7
69.07058	33.4
71.04974	5.1
71.74378	1.4
79.05481	100.0
81.03408	10.2
81.07045	69.0
83.04963	25.1
83.08603	12.8
85.06525	5.0
91.05466	62.1
93.07030	69.9
95.01298	3.8
95.04956	16.3
95.08595	36.0
97.06516	11.7
97.10146	13.2
99.08091	1.8
105.07012	61.2
107.04935	27.0
107.08575	57.8
108.08887	1.7
109.06498	9.5
109.10143	23.7
111.07367	1.5
111.08071	5.7
115.05417	3.4
117.07011	23.7
119.07735	3.1
119.08565	46.0
121.06484	6.8
121.10124	24.1
123.08051	6.4
123.11684	4.9
125.09618	12.1
129.07011	7.3
131.08545	25.9
133.10114	40.5
135.08034	8.4
135.11693	11.3
137.09567	3.9
141.06984	2.5
143.08562	4.3
145.06522	1.7
145.10086	21.8
147.08000	3.0
147.11662	20.6
149.09602	41.7
149.13243	4.9
151.11217	2.6
153.09105	3.1
157.10112	6.1
159.11661	15.5
161.09572	2.6
161.13252	6.2
163.11087	7.0
163.14801	3.3
169.10091	3.3
169.12221	2.4
171.11694	5.2
173.11716	4.9
173.13242	9.2
175.11124	1.6
175.14757	1.6
177.05519	2.9
177.12695	5.0
179.14301	6.5
181.15794	1.8
183.11655	3.6
185.13229	2.3
187.11273	2.7
187.14711	3.0
189.11205	7.0
191.14241	3.8
197.13223	1.7
209.15353	3.0
210.15753	1.5
211.14693	1.7
215.18079	2.0
229.19476	3.6
229.63342	2.7
231.09018	2.4
233.15265	2.7
239.17867	4.3
247.20520	4.2
257.18936	11.3
275.20023	51.1
276.20514	3.2
276.30902	1.5
293.21024	1.6
321.09729	2.6
349.17053	3.5
349.23669	38.5
349.27963	2.2
350.23807	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66769	1.6
53.03927	7.8
55.01868	22.9
55.05504	40.1
57.03427	25.5
57.07061	2.6
65.03928	5.1
67.01863	2.3
67.05145	4.0
67.05493	68.4
69.03411	4.4
69.07057	48.5
71.04983	5.5
71.35433	4.1
79.05481	100.0
80.05804	2.6
80.06232	2.2
81.03398	6.3
81.07041	68.3
82.07361	2.5
83.04969	10.2
83.08603	16.3
85.06527	3.7
91.05466	76.6
93.07027	61.9
95.01328	4.5
95.04964	17.2
95.08588	40.8
95.97852	1.8
97.02869	3.7
97.06513	35.1
97.10146	13.9
99.08071	3.3
105.07011	89.0
107.04952	22.0
107.08576	89.8
108.08893	3.7
109.06499	10.5
109.10152	23.5
111.08070	5.9
113.06030	2.0
114.05545	1.9
115.05460	3.6
117.03354	3.1
117.07014	24.9
119.06017	2.0
119.08562	46.7
120.08868	2.5
121.06499	8.5
121.10108	22.6
122.32770	1.9
122.71091	2.1
123.08039	8.5
123.11674	6.0
125.09605	10.1
128.06186	2.0
129.06993	8.1
130.07706	2.2
131.08542	42.7
133.10110	54.6
135.08017	7.6
135.11671	15.5
137.09598	3.4
138.05518	2.6
139.11203	2.6
141.06972	3.5
143.08531	10.0
145.02829	6.1
145.06425	2.0
145.10100	74.4
146.10445	3.0
147.11664	37.9
149.09595	28.5
149.13232	6.6
149.83595	1.9
151.11127	4.6
153.09082	2.6
155.08519	8.0
157.10107	9.8
159.08012	2.5
159.11667	28.3
161.09590	4.6
161.13235	10.5
163.11153	17.0
169.10095	8.0
171.10255	3.1
171.11607	12.4
173.11789	3.3
173.13150	11.1
175.11101	4.6
177.05432	11.9
177.12698	5.7
179.08411	2.2
179.14284	7.5
183.11684	10.2
185.13222	3.5
187.11128	4.5
187.14816	4.6
189.11238	10.6
189.12643	2.2
197.13237	6.7
201.12708	3.1
215.18092	2.2
229.19452	8.2
239.17921	16.1
247.20555	6.9
257.18967	51.0
273.20377	3.8
275.20007	99.0
276.20374	3.7
303.13773	3.9
331.13177	2.5
331.22763	4.4
349.10507	6.1
349.14404	11.2
349.19699	60.0
349.23831	78.3
350.12308	4.7
350.20096	4.6
350.24081	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01869	7.1
55.05247	1.0
55.05503	19.4
55.56459	0.7
56.28334	0.7
56.30255	0.8
56.96556	6.9
57.03173	1.4
57.03430	18.9
57.07051	3.1
57.68619	0.8
65.03916	2.6
67.05493	39.9
69.03411	3.6
69.07056	24.1
69.07646	1.0
70.08974	3.9
71.04993	3.0
77.03900	1.1
79.05479	33.8
81.03404	1.5
81.07044	47.0
83.04967	9.8
83.08600	6.2
85.06544	0.9
91.05468	33.3
93.07030	40.7
94.07335	0.9
95.04954	12.0
95.08590	27.7
97.06524	6.4
97.10134	3.1
98.21381	1.5
103.05469	1.1
105.07014	36.9
106.07339	0.9
107.04944	12.9
107.08579	27.0
109.06503	14.7
109.10136	11.8
111.08064	2.5
115.05449	1.8
117.06996	12.0
119.08562	19.7
121.06477	14.9
121.10127	12.3
123.08047	6.5
123.11672	4.6
125.09577	1.4
128.06160	0.9
129.06966	4.5
130.07811	1.2
131.08546	22.7
133.06467	5.6
133.10109	22.0
134.10512	0.8
135.08025	8.0
135.11670	7.2
137.09579	3.0
141.06992	1.9
142.07709	1.0
143.08495	4.4
145.06459	3.3
145.10106	20.2
147.08006	4.4
147.11665	14.2
149.09607	7.7
149.13272	4.2
151.11160	7.7
155.08522	2.3
157.10075	4.2
159.08026	3.8
159.11665	10.8
161.09566	4.5
161.13266	5.0
163.11165	8.1
163.14793	1.4
165.12668	1.3
169.10110	1.8
171.11635	2.8
173.09572	4.6
173.13194	6.8
175.11166	3.7
175.14778	1.8
177.05527	1.3
177.12727	3.4
179.14294	1.6
183.11684	3.1
185.13208	2.2
187.11095	2.5
187.14772	3.3
189.12749	2.6
191.14282	3.0
197.13216	2.6
199.06412	1.3
199.14810	2.0
201.12703	3.9
201.16457	1.1
205.12294	1.1
205.15736	1.1
207.13774	3.2
211.06331	1.6
213.07928	1.8
215.14322	2.0
215.17906	2.0
217.07585	1.4
219.13806	5.0
229.07483	3.2
229.19385	4.3
231.09061	4.1
231.17412	1.6
233.15344	1.1
233.18983	1.1
239.17921	5.1
241.68288	0.9
243.09103	1.2
247.08606	3.6
247.20523	5.7
257.16458	1.6
257.18976	18.1
258.19254	1.7
269.10583	1.3
275.20020	100.0
276.20374	6.9
293.21030	7.4
331.15863	1.4
349.17136	5.7
349.23694	31.9
350.23965	3.0
367.17807	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	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01842	1.9
55.05500	4.7
57.03416	2.6
60.04496	0.8
67.01845	0.8
67.05490	10.2
68.05010	1.3
69.03436	0.7
69.07045	7.0
71.04977	1.9
77.53280	0.7
79.05482	12.1
81.03386	1.2
81.07043	12.4
83.04955	2.0
83.08591	1.8
84.08127	1.4
89.03886	0.9
91.05470	10.5
93.07034	7.7
95.04951	3.9
95.08602	6.7
96.08106	7.2
97.02872	2.3
97.06481	3.9
97.10130	1.2
105.07005	10.0
107.04946	2.2
107.08591	7.2
109.06494	2.4
109.10145	4.3
111.08061	1.0
112.07587	5.2
113.00009	1.0
114.05541	1.4
115.05408	1.0
117.03349	1.9
117.06992	3.5
119.08573	7.8
121.06519	0.8
121.10132	3.7
123.08055	1.0
123.11788	0.9
124.07522	0.8
125.09610	1.0
128.10681	0.8
129.06989	1.8
131.08517	4.7
133.10114	5.9
135.07999	1.8
135.11667	2.3
137.05750	1.3
137.09602	0.9
138.05490	1.3
138.09076	1.7
143.08533	1.7
145.02823	5.5
145.06482	0.8
145.10092	7.1
147.08023	0.7
147.11647	3.9
149.08549	0.9
149.09637	2.5
149.13266	0.8
157.10100	1.6
159.11642	4.2
161.09570	0.8
161.13232	2.0
163.11151	1.7
165.07001	1.0
167.08525	0.8
169.10109	1.5
171.11679	1.3
173.13220	2.9
177.05464	8.8
179.08556	1.7
179.14282	0.9
187.14984	0.7
191.14275	0.8
197.13297	1.1
199.51591	0.7
207.08109	1.0
211.07500	1.1
221.09560	0.8
221.11443	1.9
223.07581	0.8
225.09064	1.0
229.19754	1.1
230.57689	0.6
239.17810	1.1
245.09648	0.7
246.10304	1.4
253.08507	1.2
257.04346	0.6
257.18979	4.5
259.07581	0.9
261.14658	1.9
270.66797	0.8
275.10925	0.9
275.14066	1.0
275.20065	7.1
289.12192	1.8
290.12479	0.8
290.21234	1.5
291.19647	1.0
293.11935	0.7
302.09216	0.9
303.13705	4.4
321.09760	1.2
321.14807	1.7
331.12680	1.2
331.22675	0.7
332.22748	0.8
349.14554	7.2
349.19806	100.0
350.12170	1.3
350.20041	3.7
350.23825	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	349.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62938	0.3
56.96553	1.0
57.03417	0.5
58.99859	1.3
61.02919	0.4
68.98283	0.9
69.03418	1.8
69.06740	0.3
70.14419	1.8
70.99852	1.0
73.02908	0.5
77.00904	2.2
79.01431	0.4
81.03412	0.4
82.99857	1.4
84.08137	0.7
85.01395	0.5
85.02889	1.5
86.99327	1.0
87.04460	0.7
89.00881	0.6
91.02451	0.8
94.99873	0.5
95.01932	0.8
97.01377	1.0
97.02881	1.7
98.97566	1.6
101.00865	16.9
103.02440	1.3
105.00365	1.5
109.01374	0.4
109.03536	0.4
110.97569	0.5
113.00842	3.0
115.02420	7.3
115.03831	0.5
116.98602	0.8
117.04038	0.5
119.01903	30.3
120.01972	0.7
123.01369	0.4
124.02479	0.4
124.53262	0.3
125.00855	0.7
127.02380	8.5
127.03242	0.6
128.98553	0.5
129.00356	0.7
129.03873	0.5
131.01888	10.2
133.03448	7.7
135.01370	1.1
135.05125	0.4
137.00777	1.7
137.02939	3.4
139.02371	2.8
141.03925	0.9
142.01080	0.9
142.03432	0.5
143.01881	9.7
144.02702	0.5
145.03439	55.3
146.03574	1.2
146.99622	0.4
147.01357	2.5
147.04994	1.2
149.02956	1.7
151.04514	0.7
153.00330	0.4
153.02409	0.3
155.01869	23.0
156.02658	0.8
157.03442	21.8
158.03510	0.7
158.99661	0.5
159.01283	0.9
159.05022	2.5
160.02145	0.8
161.02933	10.9
161.04276	0.7
162.03020	0.5
163.04492	6.1
165.00739	0.4
167.01865	5.0
168.05019	0.9
169.03445	5.8
170.99716	0.3
171.01372	1.0
171.04973	1.0
173.02930	25.1
175.04494	8.9
177.02397	1.5
179.01959	0.6
179.03954	0.5
181.03433	1.5
183.05005	1.2
184.02148	0.4
185.02930	20.9
186.03081	0.7
186.06824	0.4
187.00996	0.4
187.04488	6.3
189.06125	0.4
191.03954	1.5
193.03493	0.6
195.05060	0.4
196.04482	0.6
197.02945	5.4
199.04485	3.6
201.06064	1.1
203.03975	11.6
205.05617	0.7
209.02922	2.2
211.04503	3.3
213.06136	0.5
215.00380	0.5
215.03955	6.8
216.04799	0.4
217.05463	1.9
221.02979	1.6
221.05045	8.0
223.04521	0.8
227.04028	3.7
229.05559	1.3
231.03525	0.4
233.05000	0.7
235.06581	36.0
236.06834	1.0
237.02672	0.7
239.03958	3.2
239.06094	0.6
241.05595	1.5
245.05055	1.7
247.02946	0.8
247.06599	0.5
251.04231	1.2
253.07666	28.6
254.07858	0.9
257.05026	3.5
258.08197	1.6
259.06558	1.9
269.05087	2.8
271.06509	2.8
276.09335	0.5
277.07712	0.9
281.05240	0.7
283.07419	0.6
287.05978	3.2
289.07504	2.4
291.09186	3.2
299.06210	2.1
301.07635	12.3
302.07498	0.4
303.09259	0.4
305.07065	1.0
313.07791	0.7
317.03488	1.2
317.06924	0.4
319.08694	100.0
320.08936	2.5
331.08670	6.8
337.09531	0.5
342.10370	1.0
349.10114	53.9
350.09991	1.4
367.10806	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	347.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05503	2.0
56.05021	2.0
57.03435	0.6
62.47724	0.2
65.03928	0.4
67.05500	2.0
69.03423	1.3
69.07046	0.4
70.06578	0.6
70.77705	0.9
72.08134	0.4
79.05479	0.6
81.03421	0.4
81.07062	0.7
83.08610	0.6
84.08130	100.0
85.02885	1.2
85.08464	1.2
86.09697	1.5
87.06419	0.3
87.10010	0.4
91.05463	2.3
93.07038	1.4
95.04946	0.6
95.08594	2.6
97.02869	1.3
99.04452	0.3
103.05428	0.3
105.07045	0.4
107.04974	0.5
107.08573	0.3
109.02837	0.5
109.06491	0.4
109.10156	0.7
110.06048	0.5
112.07552	0.5
115.03919	0.4
119.08546	2.5
121.06505	0.6
121.10088	0.5
121.94043	0.3
123.04408	1.1
129.06992	0.4
129.10239	1.8
130.06558	0.4
130.08624	7.3
130.68883	0.3
136.06163	6.7
137.05968	4.4
137.09575	1.8
141.06964	0.4
147.08043	0.7
147.11255	2.7
149.05960	0.9
151.03799	0.4
151.07471	1.9
153.06973	0.8
158.06055	0.3
165.09081	0.8
168.07524	0.3
169.08643	0.3
173.05870	0.3
175.07561	0.3
177.05482	0.4
178.51912	0.3
179.03287	0.3
181.06461	1.0
182.11725	0.3
189.05447	0.5
195.02945	0.4
197.05920	0.5
211.07489	0.3
213.09105	0.5
220.16945	1.0
222.18480	3.6
224.16475	0.3
227.07040	0.4
241.08626	0.5
248.16466	2.1
258.08807	1.4
262.60678	0.3
265.19107	1.2
266.17480	3.0
270.07831	0.3
272.10443	1.1
273.03992	0.3
273.11130	0.9
283.06216	0.4
284.18503	9.7
285.18738	0.4
285.21689	4.3
293.18668	0.4
301.06998	0.9
311.19638	1.1
317.05576	0.5
329.20758	2.1
347.12473	1.4
347.21701	24.1
348.06592	0.3
348.21878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01859	2.0
55.05505	1.9
56.05034	0.9
56.96304	1.6
56.96557	16.3
57.03426	5.2
60.04512	2.0
61.02911	4.3
64.13946	0.8
67.05482	1.3
69.03415	12.7
69.07040	1.0
70.03771	0.8
70.06584	4.6
70.17899	4.5
70.98091	2.0
71.04981	1.8
72.08137	2.4
73.02907	4.4
74.06052	1.2
74.88660	0.8
81.03406	5.2
81.07028	1.2
82.06551	4.5
83.04984	1.1
83.06872	0.9
84.04486	5.3
84.08130	3.5
84.96020	2.5
85.00584	0.8
85.02892	32.0
86.03196	0.9
86.09702	8.6
87.04459	3.7
88.03983	0.9
88.99177	1.4
91.03920	1.2
91.05470	2.4
91.92447	0.8
94.06547	1.9
95.04971	1.7
96.04472	0.8
97.02875	13.2
98.06042	1.3
98.97565	15.3
98.98444	2.8
99.04455	1.8
104.19244	0.8
106.04984	1.5
107.04945	2.7
108.04451	1.1
109.02863	4.3
110.97546	3.1
112.07547	1.3
115.03925	1.7
116.98612	10.6
119.01899	3.7
119.03470	1.2
119.04951	3.3
122.06020	3.3
123.04407	31.5
123.06827	1.0
124.04739	1.0
124.07571	1.5
126.05463	1.1
127.03896	6.4
128.07074	7.0
128.98582	3.3
129.07408	2.8
129.10182	1.5
130.04950	1.1
130.07542	2.1
131.00124	1.3
131.01874	1.6
131.04962	1.2
133.04900	1.1
134.99632	6.0
135.04359	1.0
136.06161	100.0
137.04462	1.1
137.04845	1.0
137.05841	7.9
138.05457	6.4
139.03920	1.0
140.07079	2.5
143.00156	2.3
144.06520	2.0
145.01718	1.5
145.03511	1.1
145.04936	2.6
146.99632	6.3
147.04341	6.6
149.01192	1.3
149.05965	1.1
150.05453	6.7
151.03873	8.0
151.06287	1.9
151.07498	1.0
152.07071	2.2
158.99638	3.7
159.03189	1.2
160.06465	1.7
161.01230	3.0
161.02925	1.4
161.04663	1.5
162.99104	2.7
163.02739	1.2
163.03976	1.8
164.99478	1.9
165.00705	4.6
167.07034	2.0
168.06538	6.7
168.13860	4.9
169.01764	1.2
169.04950	12.9
170.05180	3.5
170.99626	2.0
173.01245	0.9
173.02788	1.1
177.00691	6.3
177.04193	1.2
177.05569	1.4
179.07028	2.1
185.02838	1.1
186.07585	2.2
186.11198	1.0
188.08112	1.7
189.00711	2.1
190.98642	2.1
191.02034	1.0
191.03517	1.6
197.12793	1.2
201.00687	1.2
201.12384	1.7
203.04082	1.0
205.00212	3.0
205.03705	1.4
208.04910	2.7
215.13930	1.3
217.05449	1.5
217.55904	0.8
219.01727	4.8
221.05090	1.2
223.01204	2.9
231.05228	1.2
237.02765	7.0
237.06110	1.1
241.02151	1.2
242.03448	1.0
247.04799	2.2
249.02774	1.3
251.04297	1.8
253.03682	1.2
255.03609	1.2
258.07550	2.0
259.08313	2.8
265.05707	1.1
266.59036	1.0
269.05392	2.0
274.08902	1.0
280.07089	0.9
289.05737	0.9
307.06699	1.3
319.12326	2.1
321.08475	2.6
323.06177	1.1
330.11780	1.8
340.11014	1.6
348.06943	10.1
348.12909	5.6
349.07950	3.0
366.07690	0.9
367.08698	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1232
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.86425	1.1
52.78262	1.0
53.94193	1.0
55.01877	5.7
66.97713	1.3
67.05511	1.1
69.07078	1.2
69.24886	1.0
69.39577	3.2
69.39989	6.6
79.05479	1.1
81.07079	1.0
91.05470	1.4
92.33472	0.9
96.04570	1.0
97.02907	2.4
107.04958	1.0
109.28990	1.0
110.06052	2.2
122.06073	1.1
134.05980	1.6
137.06003	3.6
147.81473	1.1
160.03981	1.8
162.05562	2.2
171.09329	1.6
172.80260	1.1
176.07054	2.3
176.28282	1.1
177.05531	1.3
178.05049	4.0
184.06326	1.8
184.07828	1.6
185.07207	3.2
185.10760	2.1
186.09193	1.5
187.05095	3.0
189.05568	3.6
196.07642	1.4
197.07132	1.6
197.08704	1.2
199.08691	5.8
201.06670	4.5
201.10223	1.2
210.09077	1.9
211.08829	2.4
213.06561	8.8
213.10098	6.6
216.55026	1.1
219.07759	1.4
225.06418	1.4
225.10075	1.2
227.08192	10.9
227.11894	3.8
229.09778	3.9
231.07726	4.7
237.10378	3.4
238.08694	2.3
239.08289	2.2
239.11765	1.4
241.09763	8.2
243.07951	1.2
243.11415	1.3
245.09154	1.6
251.08270	1.4
255.07660	14.7
255.11212	10.4
257.09433	3.7
257.12616	1.6
259.10986	1.4
265.09860	4.8
266.08304	1.6
267.07791	2.2
269.09164	10.4
273.08752	5.3
273.12283	1.5
283.10730	28.0
287.10373	4.6
289.06198	2.0
293.09070	7.3
301.07147	1.6
301.11774	6.9
311.10202	55.5
312.10812	2.2
315.13431	1.5
316.05472	1.5
317.05600	6.6
319.13074	2.2
329.11276	99.1
330.11554	6.0
332.08066	3.1
332.32147	1.1
347.12540	100.0
348.12726	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	347.1119
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03940	1.2
57.09739	0.9
65.03922	2.6
67.05457	2.3
68.99770	2.0
70.85399	2.1
70.85763	1.8
71.01337	3.7
73.01762	0.9
79.05460	2.2
81.07037	2.0
91.05464	4.7
93.03382	2.3
93.07024	1.5
95.01311	3.0
95.04940	2.8
95.08576	2.0
101.70171	1.1
103.05447	1.5
105.06993	3.4
107.01343	1.2
109.06518	2.4
111.04430	3.3
119.08509	1.2
121.02846	14.2
121.06482	23.1
123.00794	1.3
123.04357	1.0
125.05978	3.0
135.04317	0.9
135.08040	4.8
137.05960	8.7
138.03065	2.2
139.03871	2.3
139.07523	7.9
149.02321	56.6
149.05962	20.7
149.07089	0.7
151.07520	43.4
153.05437	9.9
155.03329	4.6
163.07526	7.5
164.08318	11.5
165.05420	1.8
166.02585	2.1
167.06990	8.4
168.00496	1.5
177.09023	1.1
178.02585	1.9
178.06242	1.3
180.06532	1.3
181.04935	100.0
182.05280	2.2
183.02832	3.6
186.01575	3.0
193.04936	3.0
194.02023	9.0
209.04430	31.6
216.77934	0.9
245.08017	1.6
255.06458	1.3
256.03265	1.2
257.03308	4.6
259.06137	1.1
259.09552	1.4
261.06558	1.2
287.09192	1.6
289.06027	3.7
299.05063	1.5
301.10696	1.8
302.03247	1.4
314.07751	2.0
316.05298	3.0
317.05524	22.8
319.11713	12.9
329.10028	5.3
331.07474	1.2
332.08054	6.6
347.10678	64.8
347.17709	2.3
348.11310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
52.44365	0.1
55.01868	0.1
57.03421	0.1
62.53584	0.1
65.03934	0.4
66.04716	0.4
69.03447	0.1
70.24090	0.3
76.81210	0.1
77.03887	0.2
79.05475	1.0
81.07038	0.4
83.01350	0.1
85.02899	0.4
85.06534	0.1
89.03912	0.4
91.05479	0.7
93.03410	0.1
93.07045	0.1
94.04169	2.8
95.01320	0.2
95.04955	0.5
97.02895	0.3
103.05445	0.3
105.03397	0.5
105.07041	0.1
107.04927	1.5
107.05582	0.1
107.08584	0.1
109.06499	0.2
111.04431	0.4
115.42506	0.1
117.03350	0.4
119.04924	0.1
121.06470	0.4
122.03628	7.8
123.04389	0.4
125.05981	0.4
131.04907	1.5
133.02859	0.4
134.03622	0.4
135.04396	2.4
137.05951	100.0
138.06279	1.4
141.07043	0.1
146.03676	0.1
147.04398	0.5
149.05952	13.5
150.06635	0.2
151.03867	0.4
152.06250	0.1
153.05441	1.4
159.04385	1.5
161.02313	0.3
161.05988	0.2
163.03917	0.1
165.05376	0.2
165.06956	0.2
167.07008	0.5
167.08531	0.5
175.07487	0.1
177.05437	18.4
178.05789	0.3
179.03368	3.4
181.06467	0.1
189.05420	0.6
195.06482	0.1
195.08017	0.5
197.05920	0.2
205.04871	0.8
205.06366	0.1
211.07472	0.1
213.08910	0.1
221.06055	0.1
222.06740	0.1
223.07494	0.6
237.08943	0.2
240.07784	0.1
241.08658	0.2
250.06186	0.2
251.06966	0.5
255.10139	0.2
265.08508	0.3
268.07318	0.1
279.06522	0.2
283.02322	0.1
283.09604	1.8
293.08026	0.2
301.07089	0.2
301.10635	0.4
311.09100	2.5
317.05441	0.2
329.06534	0.1
329.10123	1.0
347.10989	0.2
347.16571	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	347.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03935	1.3
55.01864	1.2
57.03431	5.0
64.38293	0.6
65.03907	0.8
67.05498	1.3
68.99770	3.5
69.03392	1.2
69.62263	3.4
69.62682	1.4
70.06569	0.8
71.04961	0.8
77.03928	0.7
79.01801	0.7
79.05488	0.9
81.03407	3.9
83.01304	0.7
83.04962	0.9
84.08139	2.7
85.02888	15.2
86.09691	1.3
89.03883	0.7
91.05479	0.9
94.97201	0.6
95.04938	3.8
96.34902	0.5
97.02870	2.4
99.04450	0.6
105.03355	2.5
105.07018	0.6
107.04938	3.3
109.02853	2.9
111.04409	0.7
117.03358	1.1
121.02848	4.3
123.04411	100.0
124.04733	1.6
125.02325	3.7
127.03867	1.1
129.07080	0.6
131.04869	0.8
131.97343	0.6
133.02832	2.0
135.04395	11.3
137.02289	2.9
137.05957	3.1
139.03891	1.7
141.06880	0.6
145.02840	0.9
145.48311	0.5
147.04384	2.1
149.02338	2.1
149.05980	0.7
151.03880	5.1
153.01837	2.2
153.06976	4.1
157.06483	0.7
158.12088	0.5
161.02339	2.6
161.05960	0.9
163.03865	5.7
165.01802	3.0
165.06999	0.7
167.03358	2.1
167.76526	0.5
169.04907	1.7
169.06316	0.6
171.02861	2.1
171.08031	0.6
173.02333	11.8
173.06041	0.6
175.03871	1.3
177.01878	2.8
179.03365	1.8
181.06453	7.2
183.02914	1.4
184.05209	0.7
185.05919	1.0
189.05464	2.6
191.03362	12.5
195.02866	61.4
196.03322	1.3
197.06006	0.9
199.07506	3.4
201.05383	0.7
203.03410	1.9
209.04358	1.2
209.06001	4.9
211.02324	1.3
211.07448	0.6
213.03905	1.3
213.05672	1.1
215.03415	0.6
221.06032	0.7
226.06158	0.5
227.06964	5.0
229.04964	1.6
231.06528	0.6
237.03841	2.7
237.05977	2.7
239.07092	0.7
255.06490	18.2
257.04404	2.2
258.05249	2.2
265.04834	1.3
267.06412	2.6
269.04453	1.8
271.05951	1.2
273.04581	1.2
273.07532	20.7
274.08017	0.8
283.05984	12.4
299.05481	0.6
300.06183	0.7
301.07019	58.5
302.07333	2.4
311.05487	6.0
329.02631	1.1
329.06503	16.1
330.06775	0.7
347.07733	2.4
347.12704	2.5
347.16806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0757
Annotation	Trichione
Peak:m/z	Relative Intensity
51.02377	0.9
53.03936	1.4
55.01868	1.4
57.03424	4.9
64.97062	0.4
65.03928	1.4
67.05489	1.2
67.49879	0.4
67.63787	0.4
68.99782	3.7
69.03390	0.8
70.86926	0.6
70.87272	0.8
77.03917	1.0
79.05482	1.5
81.03393	3.0
83.01328	1.0
83.04971	0.8
84.08166	0.5
85.02888	13.6
87.67686	0.5
89.03904	0.7
91.05449	0.6
93.03377	0.9
95.04958	2.6
97.02863	2.1
100.45178	0.4
105.03366	1.9
107.01277	1.3
107.04928	2.9
109.02842	2.9
111.00787	1.0
111.04467	0.6
119.04882	0.4
121.02856	3.5
123.04408	100.0
124.04752	1.9
125.02335	3.0
127.03870	0.7
129.06973	0.8
131.04927	0.4
133.02821	2.0
135.00841	0.5
135.04393	11.5
137.02364	2.4
137.05934	0.8
139.03889	1.2
141.07028	0.4
143.08580	0.5
145.02795	2.2
147.04381	1.8
149.02290	2.3
151.03876	5.4
152.06200	0.8
153.01810	2.2
153.06958	4.0
157.06497	0.6
161.02324	3.0
161.05898	0.5
163.03867	6.1
165.01791	3.3
165.07030	1.0
167.03346	1.0
167.04803	0.4
169.04977	1.1
169.06374	0.5
169.48589	0.5
171.02924	2.1
171.04202	0.6
173.02310	12.4
173.05772	0.5
175.03899	1.1
177.01796	2.3
179.03415	2.2
181.06448	8.6
183.02885	1.6
185.05934	1.1
189.05460	1.0
191.03372	11.7
192.03986	0.8
195.02861	58.1
196.03171	1.3
197.05980	0.7
199.07521	3.1
201.05438	0.7
203.03378	1.6
203.06998	0.6
209.04240	0.8
209.06012	3.9
210.06714	0.5
211.02356	0.8
211.07343	0.7
213.03743	0.7
213.05467	1.1
217.08551	0.5
221.06149	0.5
226.06287	0.9
227.07016	4.6
227.65919	0.4
229.04933	1.1
237.03731	1.8
237.05844	3.2
239.07068	0.9
241.04929	0.8
243.06360	0.5
244.07175	0.5
245.08035	0.6
254.05800	0.6
255.06479	17.6
256.06812	0.9
257.04373	1.5
258.05179	1.6
265.04971	0.7
267.06461	1.9
269.04398	1.7
271.05927	0.7
273.07547	20.4
274.07861	0.6
283.05963	12.2
284.06238	0.7
300.06219	0.8
301.07016	56.6
302.07178	2.3
311.05496	6.0
329.06503	16.1
330.06720	0.7
347.07462	2.2
347.12927	0.9
347.16693	1.0
362.41873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91739	0.4
61.65929	0.4
70.90611	1.0
70.90957	0.4
153.01820	3.7
153.06552	0.4
154.02139	3.3
163.03845	1.1
164.04260	1.2
167.06917	0.4
168.07355	0.5
170.02139	0.8
178.06261	1.9
179.03040	0.4
179.06560	3.3
192.03767	0.4
198.06216	0.6
201.05022	0.4
212.04228	0.5
213.05359	0.7
214.05751	0.8
216.04147	1.2
217.04539	2.4
218.05205	1.9
226.06099	0.4
227.03323	0.5
228.03769	1.0
228.07425	0.7
229.04529	0.8
230.05054	0.5
232.06801	1.7
241.04976	0.9
242.05244	2.8
244.03569	1.2
244.06923	0.7
245.04051	2.4
246.04665	1.5
254.05312	2.1
255.02878	2.8
255.06306	0.8
256.03195	8.3
256.06766	2.1
257.04089	0.5
257.07599	1.4
258.04623	0.5
259.06082	0.7
260.06314	3.2
266.05325	0.4
269.04376	1.4
270.04773	4.9
271.05701	0.7
272.06335	1.2
273.03516	0.8
281.04132	0.6
282.04776	2.0
283.02493	0.7
283.05469	1.9
284.02713	2.3
284.06320	3.8
285.03790	0.9
285.07126	2.5
286.07742	0.5
287.05408	2.7
288.05771	8.6
289.06311	0.5
297.03787	0.6
298.04282	5.1
299.05121	1.0
300.02744	0.7
300.05807	4.7
301.02936	4.1
302.07281	2.2
312.05786	5.8
313.06573	5.6
314.07419	1.5
315.04892	5.9
315.08209	1.5
316.05283	43.8
317.05469	1.4
330.06894	3.0
331.07635	12.4
332.08026	0.5
346.09973	100.0
347.10330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08695	0.3
55.05502	7.2
56.05012	0.4
56.96552	1.2
62.48040	0.3
69.03423	0.6
69.77518	2.1
70.06570	0.6
72.08118	0.4
73.57674	0.3
80.78899	0.3
81.03396	0.3
82.06569	36.9
83.06900	0.5
84.08126	0.5
85.02890	1.0
86.09674	0.4
97.02900	0.5
98.20801	0.5
98.21441	0.6
98.97556	0.9
100.07613	2.3
110.97612	0.6
114.05520	1.0
116.98618	0.4
128.07057	100.0
129.07405	1.8
130.93237	0.6
137.05930	0.8
140.07047	0.4
147.04401	0.5
172.94305	0.4
178.08638	0.5
190.95348	0.5
200.09167	0.6
201.00740	0.5
216.97066	0.5
219.01630	0.5
238.10567	0.5
260.50717	0.4
260.95905	0.8
264.86151	0.3
268.11996	0.6
281.14935	0.9
282.13513	0.6
292.21280	0.4
310.01633	0.4
320.97650	0.5
327.15457	0.6
335.38583	0.3
345.16599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0959
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.54684	0.2
67.48827	0.2
69.03393	0.2
93.76366	0.2
96.05193	0.2
97.02845	0.4
98.20734	0.4
105.03308	0.2
107.01295	0.2
107.04913	0.8
111.04334	0.3
123.04423	0.9
135.04425	0.5
137.02303	0.4
137.05946	1.6
139.07510	0.3
152.00987	0.2
153.01796	2.8
161.02298	0.4
161.05989	0.4
163.03865	2.2
163.07465	0.5
167.03419	0.2
167.07011	0.8
170.02045	0.6
177.05498	0.3
178.02541	0.6
178.06219	5.7
179.03340	0.5
179.46095	0.2
180.03757	0.3
183.02725	0.3
185.05940	0.4
185.51045	0.2
187.03999	0.2
191.03311	0.2
191.45877	0.3
197.06001	0.3
199.03972	0.2
200.04633	0.3
203.03384	0.6
203.07050	0.3
204.04192	0.4
211.03857	0.3
213.05408	0.7
216.04143	4.0
217.04929	1.2
227.03346	1.8
228.04041	0.7
229.04933	0.3
231.02884	0.8
231.06453	2.1
241.04887	1.9
243.06485	1.6
244.03645	3.2
245.04387	0.4
253.05072	0.2
255.02861	13.0
256.03415	0.9
257.04187	0.2
257.07956	0.3
259.06021	4.3
268.03787	0.3
269.04413	4.0
270.04938	0.3
271.06079	0.5
272.03104	1.5
281.04449	1.0
283.02313	2.3
283.05881	0.9
284.03116	1.1
284.06802	0.7
285.03918	0.6
285.07529	0.4
287.05453	10.8
288.05878	0.5
289.10709	0.4
297.03928	2.6
298.04572	0.5
299.05408	1.6
300.02597	5.0
300.05740	0.2
301.07062	0.5
302.07782	0.3
311.05389	0.7
312.06195	1.6
313.03458	0.4
313.06897	1.5
314.07550	0.2
315.04932	64.9
316.05246	2.6
329.06470	1.6
330.07291	20.3
331.07620	0.8
345.09628	100.0
346.09979	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	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99836	0.5
51.99105	0.4
55.01860	0.6
57.03411	0.6
69.03416	2.2
70.06579	2.3
70.88917	1.2
71.04978	0.6
72.08147	1.2
79.05463	2.0
81.03403	1.4
82.39584	0.5
84.08131	1.0
85.02895	2.5
85.50993	0.5
86.06050	0.7
86.09676	3.4
91.05466	3.7
94.04183	3.6
94.67493	0.5
95.04927	1.2
97.02868	1.2
98.21496	0.5
103.05448	1.2
105.07008	1.1
107.04951	2.1
109.02840	0.9
109.06508	1.6
111.04359	0.8
115.05441	1.6
116.07091	1.2
119.04924	1.7
121.06512	1.8
122.02785	1.1
122.03609	11.0
123.04400	1.0
125.05952	1.0
127.03877	0.9
131.04918	2.3
133.02824	1.7
135.04369	1.3
137.05956	100.0
138.06311	2.5
143.04893	1.3
147.04355	2.5
147.08009	1.4
148.04793	1.1
149.05952	3.0
151.03909	1.4
151.07556	1.3
153.01825	1.5
153.05466	2.1
153.06842	0.7
159.04320	0.9
160.05176	0.8
161.05983	3.4
163.03871	1.8
163.07495	0.7
165.05423	1.9
165.06966	1.6
167.07019	2.1
168.07828	0.7
175.07483	2.7
176.04659	1.0
176.12466	0.5
177.05510	1.5
178.06250	2.5
178.07721	1.1
179.06966	0.8
179.08482	1.3
181.06490	1.3
182.07179	1.1
183.11223	1.3
189.07002	1.0
190.06232	0.6
191.07019	4.3
193.06468	1.5
194.07184	0.9
195.07991	1.3
203.07022	2.2
205.06432	1.5
206.07207	1.5
207.08095	2.1
207.10216	1.4
209.06104	0.6
210.06723	2.1
211.07538	1.2
216.04160	2.0
217.04745	0.9
221.06003	2.5
221.07877	0.6
222.06642	1.0
223.07530	1.5
224.08426	0.7
225.09053	2.1
227.03287	1.0
227.06941	1.0
228.04152	0.6
231.06580	1.0
232.09178	0.5
234.06728	1.3
235.07588	2.0
237.09064	1.7
238.06203	1.4
239.10681	0.8
241.04941	1.2
241.88300	0.6
243.06520	0.9
244.03665	1.7
249.09102	1.3
250.08688	0.8
251.07014	1.5
252.07684	1.1
253.08528	3.0
254.09117	0.6
255.02812	6.0
255.05498	0.7
255.06384	0.6
256.03448	0.9
259.06049	1.5
265.05872	0.5
265.08551	3.3
267.10098	2.5
269.04382	2.1
270.08978	0.7
271.09769	0.6
272.03265	0.7
277.08524	2.2
279.06540	0.7
282.08710	0.9
283.02359	1.2
283.09433	0.7
285.11121	3.2
287.05432	5.2
294.08798	1.4
295.09467	0.7
297.03931	1.5
297.11261	1.9
299.05475	1.2
299.09171	0.8
299.12711	0.9
300.02664	3.7
309.11182	3.3
313.06937	1.5
313.10565	0.7
315.04944	30.6
316.05396	2.0
327.12454	0.7
330.07297	8.8
345.09641	46.0
345.13675	2.5
346.09872	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	345.0961
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.35195	0.2
57.03414	0.2
67.85104	0.2
68.99765	0.2
77.09008	0.2
79.05461	0.2
83.41908	0.2
98.21516	0.3
107.04905	0.4
123.04369	0.8
135.04349	0.5
137.02342	0.2
139.07455	0.2
147.04395	0.3
153.01782	2.6
161.02289	0.5
161.05940	0.3
163.03850	1.9
167.06966	0.8
170.02040	0.6
171.81885	0.2
176.24683	0.2
178.02539	0.7
178.04712	0.3
178.06213	5.5
179.03311	0.6
179.06381	0.2
183.02917	0.4
185.05937	0.3
189.05438	0.3
200.04633	0.5
203.03333	0.7
203.07008	0.2
204.04106	0.4
205.04959	0.3
211.03700	0.2
213.05405	0.5
216.04150	4.6
216.06258	0.3
217.04962	1.2
227.03313	1.2
228.04150	0.5
229.04839	0.2
231.03032	0.9
231.06480	2.4
241.04872	1.9
243.06502	1.1
244.03635	3.2
245.04401	0.3
255.02847	13.5
256.03369	0.7
257.04358	0.3
259.05991	4.0
269.04419	3.3
271.05954	0.5
272.03043	1.1
281.04465	0.7
283.02298	2.0
283.05841	0.9
284.03098	1.1
284.06747	0.6
285.03873	0.4
287.05438	11.1
288.05765	0.5
289.10782	0.2
297.03870	2.5
298.04581	0.5
299.05374	1.7
300.02603	5.2
301.07071	0.6
311.05350	0.6
312.06302	1.6
313.07053	1.2
314.03992	0.3
314.07718	0.2
315.04926	59.1
316.05322	2.1
329.06485	1.3
330.07285	18.2
331.07489	0.8
345.09625	100.0
346.09973	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0963
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03115	0.4
66.53620	0.5
66.91917	0.4
68.99784	0.8
69.90778	3.1
74.42979	0.4
75.39774	0.6
98.21451	0.6
99.25365	0.5
106.63688	0.4
121.02850	1.1
137.05957	1.6
149.02332	9.4
153.05499	0.9
164.04593	3.0
167.03383	26.8
199.03888	0.9
202.02571	0.5
213.05389	0.7
214.06360	0.5
217.04895	3.9
219.06508	5.5
220.79277	0.5
227.03427	2.0
231.06516	2.4
241.04887	2.1
242.05705	4.8
243.65443	0.5
245.04440	13.2
255.02890	1.4
259.05927	3.1
269.04327	0.7
270.05136	3.2
272.03342	0.5
283.02338	0.7
285.07559	1.9
287.02481	0.9
287.05478	13.9
288.05844	0.5
297.03763	0.8
298.04745	2.5
299.05536	1.0
313.07034	2.6
315.04950	50.9
316.05249	1.5
325.70013	0.5
330.07297	13.9
330.11279	0.8
345.09641	100.0
346.09827	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	345.0961
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01846	0.1
57.03402	0.3
62.54490	0.1
68.99763	0.2
69.87933	0.3
69.88362	0.2
77.03944	0.1
79.05467	0.2
82.00533	0.1
83.61526	0.1
84.21176	0.1
84.39231	0.1
85.02857	0.1
91.05461	0.1
95.04922	0.1
97.02875	0.1
98.21426	0.1
105.03362	0.2
107.01279	0.2
107.04937	0.9
121.06414	0.1
123.04404	0.9
124.05206	0.1
126.03110	0.2
131.04939	0.1
133.02806	0.2
134.03593	0.2
135.04376	0.8
137.02272	0.4
139.03833	0.2
139.05382	0.1
139.07454	0.2
146.03539	0.1
147.04355	0.2
148.05168	0.2
149.02328	0.2
149.05910	0.3
150.03110	0.1
151.03903	0.1
152.01001	0.1
153.01785	2.9
159.00400	0.1
159.04318	0.1
160.05226	0.1
161.02296	0.8
161.05923	0.3
162.03094	0.1
163.03873	2.5
165.01718	0.1
166.33533	0.1
167.06995	1.0
169.06413	0.2
170.02075	0.9
171.04353	0.2
173.05978	0.1
175.03867	0.2
176.04626	0.2
177.05469	0.4
178.02670	0.8
178.06213	6.3
179.03377	0.8
181.02734	0.1
183.02844	0.4
183.04335	0.1
185.05910	0.4
187.03854	0.1
188.04594	0.3
189.01718	0.1
189.05447	0.4
191.03291	0.1
191.06892	0.1
197.05934	0.3
199.03813	0.3
200.04625	0.6
201.05362	0.2
202.02522	0.1
203.03340	0.9
203.06993	0.3
204.04134	0.4
205.04955	0.3
211.03886	0.5
213.05409	0.9
215.07098	0.1
216.04128	7.0
217.04898	1.7
219.03000	0.1
225.05406	0.2
227.03351	2.3
227.06746	0.1
228.04132	1.1
229.04912	0.4
231.02934	1.0
231.06453	3.5
239.03365	0.2
240.04015	0.1
241.04883	2.4
243.02728	0.2
243.06494	1.6
244.03618	4.3
245.04462	0.4
251.03386	0.2
253.05029	0.4
253.07622	0.1
255.02827	17.9
256.03641	0.5
257.04425	0.4
259.05978	5.3
259.86642	0.1
268.03516	0.2
269.04388	4.8
270.05078	0.1
271.02286	0.3
271.05920	0.7
272.03085	1.7
273.03851	0.2
281.04385	1.0
283.02298	3.3
283.05920	1.1
284.03079	1.6
284.06671	0.7
285.03839	0.4
285.07217	0.1
286.04553	0.2
286.07904	0.1
287.05438	14.0
289.10651	0.2
297.03879	3.5
297.07275	0.2
298.04758	0.4
299.05444	1.8
300.02591	6.8
301.03610	0.1
301.06998	0.7
302.07794	0.2
311.05496	0.8
312.06168	1.4
313.06952	1.3
314.04169	0.3
314.07800	0.2
315.04907	67.2
317.10046	0.2
329.06516	1.6
330.07257	20.7
345.09598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0958
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.03399	0.2
60.70906	0.2
68.99788	0.3
74.57255	0.1
84.72778	0.2
99.15684	0.2
105.03315	0.2
107.04922	0.9
123.04383	0.6
135.04364	0.6
137.02290	0.2
147.04347	0.3
148.05087	0.4
149.05943	0.2
149.65556	0.2
150.03081	0.2
153.01808	2.7
161.02287	0.7
161.05910	0.3
163.03879	2.5
164.04697	0.2
167.07054	1.2
170.02103	0.8
177.05373	0.4
178.02597	0.8
178.04712	0.3
178.06224	5.9
179.03337	0.6
179.06532	0.3
183.02751	0.2
185.05891	0.3
189.05385	0.5
191.03395	0.3
194.08298	0.2
197.05977	0.2
199.47501	0.2
200.04614	0.5
203.03375	0.7
203.07016	0.3
204.04141	0.4
205.04897	0.5
211.03854	0.5
213.05368	0.7
214.06328	0.2
216.04146	5.5
217.04875	1.7
227.03358	2.0
228.04028	1.0
229.04913	0.4
231.02937	0.8
231.06453	2.8
240.82088	0.2
241.04939	2.2
243.06480	1.5
244.01273	0.3
244.03638	3.9
245.04364	0.3
253.04948	0.3
255.02847	16.8
256.03317	0.8
257.04388	0.2
259.05978	4.2
259.74942	0.2
269.04401	3.9
270.04993	0.2
271.02310	0.2
271.06049	0.6
272.03186	1.6
281.04416	0.8
283.02338	2.8
283.05933	1.1
284.03143	1.8
284.06686	0.6
285.03912	0.5
285.07550	0.2
287.05453	12.7
288.05716	0.2
297.03903	3.1
298.04559	0.3
299.05338	1.4
300.02609	6.2
301.03348	0.3
301.07025	0.6
302.07977	0.2
311.05344	0.9
312.06210	1.4
313.06955	1.4
314.04022	0.3
315.04929	58.6
316.05301	2.2
329.06503	1.1
330.07278	18.4
331.07620	0.8
345.09625	100.0
346.09995	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0963
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
54.15405	0.3
54.43977	0.3
58.75301	0.3
65.98646	0.3
67.86677	0.3
69.90069	1.7
81.78938	0.3
107.04896	1.1
123.00773	2.5
123.04413	0.7
124.01558	0.4
135.04344	0.9
139.03841	0.8
146.03603	0.3
149.05934	0.4
151.00226	0.9
152.01027	3.4
152.86243	0.3
153.01816	2.2
161.02269	0.5
161.05943	0.7
163.03871	3.1
164.04672	2.5
165.05333	0.5
167.06964	1.4
169.01263	0.5
169.06435	0.3
170.02101	1.7
177.05377	0.5
178.02695	0.4
178.04723	0.6
178.06230	10.9
179.03371	0.7
193.08340	0.4
194.09312	0.5
196.47183	0.3
202.55959	0.3
203.03409	0.5
204.04111	0.4
205.04924	0.4
213.05434	0.4
216.04141	3.0
217.04871	0.5
227.03342	1.4
231.02852	0.7
231.06448	1.2
241.04901	2.0
243.06572	0.9
244.03633	2.1
253.05096	0.4
255.02882	10.0
256.03308	0.4
259.05975	3.1
269.04379	3.5
271.05890	0.7
272.03149	0.6
281.04425	0.6
283.02542	1.6
283.05975	1.2
284.03119	1.0
284.06653	0.5
287.05435	8.3
297.03918	2.9
298.04651	0.5
299.05508	1.7
300.02661	2.4
300.05655	0.5
301.06992	0.6
312.06299	1.7
313.06909	1.0
314.07458	0.5
315.04932	54.8
316.05356	2.4
329.06668	0.6
330.07288	20.4
331.07587	0.8
345.09641	100.0
346.10086	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	345.096
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01851	0.1
57.03426	0.3
68.99791	0.2
70.01044	0.7
70.01459	0.2
79.05474	0.2
89.59280	0.1
91.05511	0.2
103.05495	0.2
105.03385	0.3
107.04943	0.8
107.08616	0.1
122.03642	0.1
123.04386	0.8
126.03139	0.2
131.04941	0.2
133.06419	0.2
135.04402	0.5
137.02338	0.4
137.05984	1.5
139.03864	0.2
139.07529	0.2
147.04410	0.2
148.05170	0.2
149.02376	0.5
149.05981	0.3
150.03030	0.2
151.03871	0.2
152.01125	0.1
153.01797	2.9
157.06532	0.3
161.02342	0.5
161.05962	0.4
162.06764	0.2
163.03900	2.2
163.07545	0.5
164.04576	0.2
167.03387	0.9
167.07019	1.1
169.06471	0.2
170.02141	0.6
171.04388	0.2
177.05487	0.3
178.02696	0.9
178.06235	6.5
179.03409	0.8
183.02864	0.2
185.05940	0.3
189.05417	0.4
191.03351	0.2
191.06914	0.2
197.05971	0.2
199.03868	0.2
200.04660	0.4
201.05400	0.2
203.03362	1.0
203.07039	0.3
204.04181	0.5
205.04997	0.4
211.03918	0.3
213.05431	0.7
214.06142	0.2
215.07036	0.2
215.36940	0.1
216.04156	5.3
217.04918	1.6
219.06578	0.2
225.37039	0.1
227.03423	1.3
227.06999	0.1
228.04112	0.7
229.04877	0.4
231.02982	0.8
231.06490	2.9
239.03166	0.1
241.04930	2.1
242.05682	0.4
243.06487	1.3
244.03625	3.2
245.04340	0.7
253.04904	0.3
255.02852	16.2
256.03357	1.1
257.04636	0.3
259.05988	4.3
260.06363	0.2
269.04428	4.1
270.04950	0.4
271.02341	0.1
271.06024	0.4
272.03073	1.5
281.04391	1.0
282.04971	0.2
283.02347	2.9
283.05942	1.0
284.03122	1.4
284.06696	0.7
285.04147	0.3
285.07578	0.4
286.04800	0.3
287.05466	13.5
288.05807	0.5
289.10706	0.2
297.03903	3.5
298.04718	0.5
299.05490	2.0
299.08636	0.2
300.02640	5.8
301.03116	0.4
301.07025	0.7
311.05576	0.7
312.06213	1.9
313.06979	1.4
314.04150	0.3
314.07608	0.3
315.04947	70.6
316.05286	2.5
329.06485	2.0
330.07291	21.0
331.07654	1.1
345.09641	100.0
346.09976	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	345.0954
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
66.76029	0.2
68.99769	0.2
70.13339	1.0
107.04917	0.6
123.04400	0.6
134.03621	0.2
135.04413	0.6
136.96458	0.2
137.02290	0.3
139.03896	0.3
152.01009	0.2
153.01813	2.5
157.89272	0.2
161.02313	0.4
161.06001	0.5
163.03899	1.6
167.07025	0.9
170.02100	0.4
171.04404	0.3
177.05432	0.3
178.02591	0.8
178.06213	5.2
179.03371	0.7
181.72081	0.2
183.02914	0.3
185.06039	0.2
197.05986	0.3
203.03386	0.3
203.06859	0.3
204.04198	0.3
205.05038	0.3
213.05458	0.6
216.04173	3.8
217.04947	1.2
227.03331	1.1
228.04124	0.7
229.04933	0.3
231.02827	0.6
231.06479	2.4
241.04922	1.5
243.06580	1.3
244.03680	2.4
245.04332	0.3
253.04776	0.3
255.02864	12.8
256.03357	0.6
259.05994	3.2
269.04428	3.3
271.06000	0.4
272.03156	0.9
281.04480	0.7
283.02359	2.6
283.05862	0.8
284.03122	1.2
284.06815	0.8
285.03983	0.5
287.05453	10.3
288.05896	0.4
297.03912	2.6
298.04550	0.5
299.05405	1.5
300.02649	4.4
300.05865	0.5
301.07083	0.7
311.05350	0.6
312.06277	1.5
313.07059	1.2
314.04324	0.3
314.07733	0.3
315.04944	57.7
316.05344	2.0
329.06384	1.1
330.07288	17.8
331.07651	0.8
345.09637	100.0
346.09961	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	345.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36439	0.3
51.48077	0.3
56.33088	0.3
61.35551	0.3
68.99748	0.4
69.96974	1.4
71.01344	8.6
71.70741	0.3
82.38793	0.3
83.04156	0.3
97.02851	0.4
107.04922	0.6
112.09947	0.3
115.05434	0.3
123.04380	0.8
123.54388	0.3
135.04364	0.5
139.07465	0.3
148.05130	0.7
150.78401	0.3
153.01808	2.1
159.04340	0.6
161.02335	0.5
163.03862	2.2
167.07011	1.0
170.02110	0.6
173.05998	0.3
178.02597	1.1
178.06213	4.9
179.03358	0.4
185.05907	0.4
191.07094	0.3
197.05995	0.3
199.03920	0.3
200.04778	0.3
203.03387	0.6
211.04021	0.4
213.05360	0.4
216.04146	5.1
217.04935	1.2
227.03355	1.6
228.04054	0.7
231.02908	2.1
231.06396	3.0
241.04816	1.3
243.06503	0.9
244.03612	3.2
245.04414	0.9
255.02843	14.6
256.03629	0.5
259.05988	3.7
268.03735	0.3
269.04373	3.9
270.05176	0.3
271.02887	0.3
271.06030	0.7
272.03214	1.4
273.03979	0.3
275.05542	0.6
281.04483	1.0
283.02310	2.2
283.05777	0.8
284.03085	1.0
284.06726	0.4
285.03949	0.5
285.07355	0.4
287.05457	12.0
297.03854	2.5
298.04565	0.3
299.05444	2.1
300.02609	5.9
301.06949	0.7
311.05597	0.5
312.06357	1.6
313.07019	1.1
315.04926	61.3
316.05365	0.8
327.04843	0.9
329.06488	1.4
330.07266	17.7
345.09619	100.0
346.10077	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	345.0965
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.43798	0.3
68.99780	0.3
95.17329	0.4
96.06757	0.3
107.01305	0.5
107.04986	0.6
123.04427	0.5
132.05676	0.4
137.02435	0.3
153.01819	5.7
163.03893	2.0
163.38686	0.4
167.07030	0.8
169.64616	0.3
170.02057	0.9
177.05435	0.6
177.19318	0.3
178.02631	0.8
178.06219	3.2
179.03331	0.4
183.02840	0.4
200.04803	0.4
208.56403	0.3
213.05461	1.3
216.04143	3.0
217.04950	1.9
225.05313	0.3
227.03355	1.2
227.06926	0.5
228.04195	0.8
229.04938	0.8
231.06454	1.0
241.04906	3.6
243.06491	0.6
244.03615	1.9
245.04491	1.9
253.04916	2.1
254.05627	0.6
255.02849	7.8
255.06372	2.3
256.03476	0.5
259.05966	2.5
267.06357	0.5
269.04428	5.1
270.04782	0.4
271.03268	0.4
271.05936	1.9
272.02985	0.7
281.04419	2.0
282.05206	1.4
283.02399	1.5
283.05960	4.1
284.03055	0.9
284.06696	1.4
286.04572	0.7
287.05472	7.8
295.05759	0.6
297.03897	3.6
298.04544	0.9
299.05408	2.9
300.02667	3.2
301.07065	1.4
311.05441	3.9
312.06223	4.9
313.06876	1.2
314.07648	1.0
315.04938	30.4
316.05344	1.4
329.06537	2.3
330.07275	10.2
345.09634	100.0
346.09940	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	345.0956
Annotation	Araneol
Peak:m/z	Relative Intensity
53.03974	0.2
57.03433	0.3
58.91595	0.2
68.99761	0.3
71.10889	0.7
107.04906	0.4
123.04401	0.4
126.73077	0.2
135.04416	0.4
139.07571	0.3
153.01779	2.1
161.02299	0.6
161.05939	0.3
163.03874	1.3
167.07021	0.7
170.02106	0.8
178.02641	0.5
178.06239	5.6
179.03355	0.6
196.13780	0.3
200.04689	0.4
203.03406	0.6
204.04131	0.4
211.03986	0.3
213.05493	0.4
216.04140	4.0
217.04909	1.4
227.03252	1.2
228.04140	0.7
229.05022	0.4
231.02847	0.7
231.06471	2.4
241.04906	1.8
243.06517	1.0
244.03638	2.9
253.04993	0.3
255.02858	12.5
256.03278	0.6
259.05969	3.4
269.04416	3.9
271.05960	0.4
272.03122	1.2
281.04413	0.4
283.02344	1.9
283.05942	1.2
284.03116	1.3
284.06586	0.5
287.05460	10.1
288.05511	0.3
297.03909	2.7
299.05457	1.4
300.02628	4.5
311.05408	0.7
312.06171	1.2
313.07034	1.5
315.04947	54.7
316.05301	1.5
329.06415	1.4
330.07297	18.0
331.07568	0.6
345.09637	100.0
346.09970	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	345.0601
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.03659	0.3
53.03946	0.5
54.47441	0.3
55.05482	0.3
61.74156	0.3
63.02383	0.7
66.79648	0.3
67.05488	0.5
68.99774	0.5
69.03429	0.8
69.33289	3.2
75.04507	0.4
77.03914	0.5
79.05479	0.3
80.48714	0.3
81.03423	0.4
81.07058	0.5
91.05469	0.5
93.16290	0.3
95.04949	0.4
95.08603	0.8
97.02864	0.5
103.05477	0.5
105.03378	0.8
105.38042	0.4
106.04166	0.4
107.04952	0.6
107.08570	0.6
119.01331	0.4
122.03613	1.3
123.04392	0.7
128.06262	0.4
131.04874	0.4
133.02831	0.6
134.03632	1.3
135.04411	0.8
137.02333	1.0
150.03102	0.8
152.01031	0.5
153.01797	5.3
154.69989	0.3
155.04884	1.0
157.02869	0.3
157.06534	0.3
158.03650	0.9
160.05225	1.0
161.02342	0.7
161.06007	0.6
162.03096	0.7
163.03888	1.7
165.05426	0.8
170.02074	1.2
171.04317	0.4
173.05995	0.7
178.02583	0.5
178.06256	3.5
183.04430	0.5
186.03131	1.2
187.03920	1.3
188.04617	0.5
189.05524	0.5
193.04936	25.4
194.02092	0.5
194.05209	0.4
199.03792	0.4
200.01086	0.4
201.05455	1.3
203.03352	2.3
211.03993	0.5
213.05568	0.6
214.02592	8.8
215.03334	4.9
216.04131	5.1
217.04933	4.6
227.03334	1.8
228.04199	1.0
229.04915	7.6
230.05449	0.4
231.02760	1.5
231.06430	1.6
241.04956	1.4
242.02068	11.7
243.02853	8.0
243.05424	0.4
243.06564	0.6
244.03575	1.6
245.04417	1.3
246.05209	1.1
253.01355	0.5
255.02858	8.5
257.04373	3.2
258.05246	0.5
259.02448	0.6
259.06003	2.7
260.03149	5.7
269.00800	0.8
269.04404	1.9
270.01563	3.1
270.04626	0.5
271.02322	6.8
272.03067	0.7
273.03925	0.5
274.04663	2.8
281.04376	0.5
281.43591	0.4
283.02255	1.6
283.06012	0.3
284.03159	0.7
285.03906	16.7
286.04437	0.8
287.02258	0.4
287.05402	6.4
297.03970	1.8
299.05472	1.2
300.02603	2.7
301.03442	1.8
302.04214	0.7
311.05392	0.6
312.06195	0.4
313.03598	0.8
313.06754	0.6
315.04938	31.5
316.05255	0.7
317.06592	1.2
329.06592	1.2
330.03995	0.4
330.07220	11.8
345.05994	100.0
345.09720	46.3
346.06323	2.2
346.10049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.1
57.03408	0.3
67.05473	0.3
68.99774	0.1
69.07043	0.4
70.66174	0.2
71.01344	0.1
71.04964	0.1
79.05462	0.5
81.03387	0.3
81.07034	0.5
82.38724	0.1
83.04945	0.1
83.08606	0.1
85.02838	0.1
85.06516	0.1
90.90514	0.1
91.05437	0.3
93.07004	0.3
95.04926	0.4
95.08580	0.3
97.02859	0.2
97.06516	0.5
103.26793	0.1
105.03350	0.2
105.06985	0.2
107.01311	0.1
107.04928	0.6
107.08569	0.2
107.32688	0.1
109.06469	0.2
109.10125	0.1
111.04403	0.1
115.05466	0.1
115.07545	0.2
117.07008	0.1
118.32179	0.1
119.08519	0.2
121.06499	0.2
121.10121	0.1
123.04422	0.6
125.02319	0.1
126.03087	0.1
129.06970	0.1
131.08542	0.1
133.02873	0.1
135.04379	0.5
135.11615	0.1
137.02316	0.3
139.03883	0.2
139.07481	0.3
141.06975	0.1
145.06389	0.1
145.10178	0.1
147.04382	0.2
148.05125	0.3
149.02333	0.2
149.05930	0.3
150.02985	0.1
152.00992	0.1
153.01787	2.5
157.06345	0.1
160.05119	0.1
161.02286	0.5
161.05927	0.4
162.06644	0.1
163.02516	0.1
163.03862	2.1
167.03488	0.1
167.07027	1.3
169.06467	0.2
170.02068	0.7
171.11618	0.1
175.07477	0.1
176.04716	0.1
177.05479	0.4
178.02693	0.7
178.06218	5.8
179.03349	0.7
183.02847	0.3
183.04395	0.1
185.05952	0.2
187.03987	0.1
189.05444	0.4
191.03236	0.1
191.06995	0.2
197.05937	0.3
199.03819	0.2
200.04594	0.3
201.05544	0.1
203.03299	0.6
203.06985	0.2
204.04111	0.4
205.04953	0.3
211.03841	0.3
213.05484	0.6
215.07103	0.1
216.04137	4.5
217.04948	1.4
225.05408	0.1
227.03343	1.2
227.06697	0.1
228.04135	0.6
229.04993	0.4
231.02959	0.8
231.06451	2.5
239.03348	0.1
240.04065	0.1
241.04889	1.9
243.06468	1.3
244.03621	2.9
245.04376	0.3
251.03403	0.1
253.04964	0.3
254.05812	0.1
255.02832	14.6
256.03568	0.3
256.07379	0.1
257.04303	0.2
257.07977	0.2
259.05972	4.0
268.03659	0.2
269.04395	4.2
271.02429	0.3
271.05939	0.6
272.03113	1.3
281.04379	0.9
282.05106	0.1
283.02307	2.4
283.05896	1.1
284.03091	1.4
284.06723	0.7
285.03848	0.4
285.07492	0.3
286.04770	0.2
286.08319	0.1
287.05432	11.8
289.10629	0.1
291.19604	0.1
294.05258	0.1
297.03882	3.3
297.07358	0.2
298.04642	0.4
299.05429	1.8
300.02585	5.3
301.07019	0.8
302.07730	0.2
311.05472	0.7
312.06244	1.6
313.03494	0.2
313.06958	1.4
314.04120	0.2
314.07736	0.3
315.04913	68.8
317.10193	0.2
327.57220	0.2
329.06509	2.0
330.07266	20.0
336.57529	0.2
337.07712	0.1
344.08798	0.9
344.25882	0.2
344.58954	0.2
345.09601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
55.05495	0.1
57.03427	0.4
65.01086	0.1
67.05490	0.5
68.99786	0.2
69.07056	0.6
69.38736	0.1
69.39905	0.4
69.40318	1.1
71.01336	0.2
71.04973	0.2
79.05479	0.9
81.03411	0.3
81.07052	0.7
82.38795	0.1
91.05469	0.4
93.07025	0.5
95.04958	0.4
95.08617	0.4
97.02876	0.2
97.06516	1.9
99.08108	0.2
105.03371	0.1
105.07015	0.3
107.01292	0.2
107.04933	0.9
107.08566	0.3
115.07562	0.2
117.06989	0.2
121.10188	0.2
123.04414	0.7
131.08594	0.2
133.02821	0.2
135.04428	0.5
135.08043	0.2
137.02281	0.3
139.03862	0.2
139.07542	0.2
145.10097	0.1
147.04390	0.4
148.05191	0.4
149.02310	0.2
149.05988	0.3
151.03902	0.2
152.92528	0.1
153.01807	2.8
155.09663	0.1
159.11673	0.2
161.02351	0.5
161.05954	0.4
162.06653	0.2
163.03879	2.1
165.01895	0.2
167.07016	1.5
170.02083	0.6
171.04361	0.2
175.03902	0.2
177.05476	0.3
178.02696	0.8
178.06218	5.5
179.03345	0.6
183.02872	0.3
189.05424	0.4
191.03445	0.2
191.06978	0.3
197.05885	0.2
200.04665	0.2
201.05502	0.2
203.03270	0.3
204.04161	0.3
205.04939	0.2
211.03877	0.5
211.07407	0.1
213.05434	0.7
215.07080	0.2
216.04132	4.5
217.04976	1.3
217.28828	0.1
227.03337	1.3
228.04169	0.8
229.04991	0.3
231.02901	0.8
231.06462	2.3
241.04932	1.6
243.06467	1.4
244.03632	3.1
245.04410	0.4
253.04922	0.3
255.02838	15.1
256.03610	0.4
257.04413	0.3
259.05984	4.3
269.04395	3.5
271.02444	0.2
271.05997	0.6
272.03137	1.3
273.04089	0.2
281.04330	0.7
283.02325	2.6
283.05917	1.0
284.03116	1.2
284.06729	0.7
285.03915	0.5
285.07321	0.3
286.04697	0.3
287.05447	11.7
289.10507	0.2
297.00656	0.1
297.03857	3.3
298.04755	0.3
299.05466	1.4
300.02579	6.2
301.07047	0.5
302.07742	0.2
311.05515	0.6
312.06213	1.4
313.07004	1.8
314.04190	0.3
314.07602	0.2
315.04926	64.7
329.06476	1.8
330.07278	18.9
336.57730	0.5
337.07758	0.2
344.08835	1.3
344.25681	0.5
345.09616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.6
59.04993	61.3
61.02916	4.6
64.40369	1.5
69.03426	12.7
69.55072	12.7
69.61311	1.8
70.06580	6.9
77.06019	3.9
81.03426	4.4
84.04477	2.4
85.02895	37.4
86.09701	2.0
89.06015	22.6
91.03915	1.7
91.05473	6.6
93.07064	2.1
94.02906	2.3
97.02879	11.7
98.21437	3.5
98.97588	3.0
99.04448	2.5
103.07570	66.5
107.04945	3.6
109.02869	4.5
111.04420	1.6
116.07083	1.8
119.04920	23.1
122.06010	2.5
123.04424	3.5
124.07555	1.9
125.40450	2.1
127.03899	6.5
128.06967	1.8
132.04451	2.3
133.08595	6.4
136.06252	1.7
137.05922	15.4
145.04968	5.2
146.05995	3.5
147.04391	100.0
148.04701	5.0
151.07446	2.1
152.07057	3.5
163.03879	2.4
163.95790	1.7
164.07068	26.6
165.05458	49.6
165.11212	93.0
167.07031	2.2
168.71136	1.6
170.60423	1.8
178.06288	8.4
180.08641	3.0
216.04192	5.1
244.03630	2.6
255.02859	11.7
259.06116	2.5
283.02277	3.3
287.05527	9.3
297.03918	3.6
300.02603	3.0
313.06894	3.3
315.04922	60.2
326.12201	3.5
330.07275	16.0
344.13330	2.9
345.09634	75.9
345.13300	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01865	0.6
57.03431	0.9
61.02921	1.4
65.03947	0.8
69.03419	3.4
70.06580	0.7
70.87402	0.3
71.01366	0.4
73.02895	0.6
81.03409	1.2
84.14091	0.3
85.02896	16.0
86.09720	0.7
87.04462	0.5
91.03947	0.7
91.05466	6.4
95.04925	0.5
95.22668	0.4
97.02882	3.9
99.04449	0.7
100.90778	0.4
109.02848	1.6
116.07037	0.4
119.04926	17.7
120.05213	0.4
123.04424	2.6
127.03908	2.6
145.04935	3.3
147.04390	100.0
148.04749	1.7
165.05458	49.9
165.76276	0.3
166.05841	0.5
178.06285	0.4
178.20695	0.4
180.08617	1.4
182.08089	0.8
229.49113	0.4
255.02641	0.6
313.07025	0.4
315.05008	2.8
330.07364	0.7
344.13278	0.7
345.09680	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	343.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69489	1.7
53.03939	4.3
55.01857	2.0
55.05492	8.3
57.07054	2.4
65.03928	2.9
66.21276	2.0
67.05486	9.4
69.03391	2.8
69.07060	17.3
79.01865	2.3
79.05485	9.9
81.07041	34.9
83.08585	5.7
85.06527	6.4
91.05460	7.1
93.07025	16.1
94.05541	2.1
95.04949	7.9
95.08591	19.9
97.02858	4.0
97.06512	7.1
97.10164	5.0
99.08076	2.5
103.05440	2.3
105.07027	9.6
106.31322	2.2
107.01291	3.3
107.04951	6.2
107.07922	1.9
107.08569	10.6
109.10136	13.0
110.15313	1.9
111.04451	2.2
111.11677	2.6
115.05427	4.0
116.10780	1.9
119.04906	3.7
119.08523	5.0
121.06445	3.6
121.10119	7.8
123.11696	8.0
128.06166	2.5
129.06955	2.5
131.04971	2.5
131.08539	2.4
133.02884	4.6
133.10094	7.3
134.03650	2.8
135.04388	5.5
135.11667	9.7
137.02232	4.1
137.05946	12.7
137.06866	2.6
137.13206	2.8
139.03812	2.1
141.06972	3.8
145.06525	4.1
145.10056	2.9
147.04391	17.8
147.11674	4.1
149.05946	8.2
149.13249	4.5
150.03070	2.9
151.03827	2.5
153.01808	51.0
153.06897	2.0
159.11630	3.9
160.05141	2.2
161.05992	10.5
161.13228	3.7
163.03836	11.2
163.07541	2.3
163.11148	2.2
163.14792	3.1
165.05487	3.2
165.12772	2.2
168.05731	3.3
170.02083	2.4
173.05975	6.7
173.13141	2.3
175.03888	7.3
176.04666	4.1
177.05450	15.8
177.06924	3.1
177.16339	4.1
178.06223	7.4
179.03409	7.5
181.05034	10.8
181.06377	4.0
185.05888	2.8
186.03082	2.5
187.03883	5.3
187.07556	3.0
189.16281	2.6
191.03358	5.4
191.06996	55.3
192.07735	10.0
193.04976	3.0
194.07329	2.0
195.07979	2.2
200.04659	3.3
201.05482	11.4
205.06458	7.1
206.05663	4.2
213.05338	5.3
213.09042	2.8
214.06125	3.1
215.06894	2.7
217.04991	3.8
219.06503	4.2
221.06097	2.8
222.06853	2.6
227.07130	3.5
229.04855	3.7
233.05875	4.8
235.82010	2.0
237.05479	2.7
237.09102	4.5
240.04057	4.8
241.04857	12.4
243.02968	2.8
249.05424	2.6
250.06122	3.9
253.04872	3.9
255.02696	3.5
255.06487	6.5
257.08102	2.7
265.08618	10.8
266.09204	2.3
267.06525	3.3
268.03696	6.0
269.04398	16.6
271.02316	3.8
271.05936	2.7
273.07565	4.6
278.05679	2.9
283.02301	7.5
283.05896	7.6
284.06723	6.4
285.07501	4.1
286.04559	4.3
289.25208	3.6
293.08057	7.4
297.03897	33.8
297.07263	4.2
297.11017	4.7
298.04691	8.4
299.05493	5.6
301.07028	19.8
307.09512	9.5
307.26328	5.0
310.08255	2.4
311.05490	6.2
312.06125	15.4
313.03522	2.5
313.06949	58.9
315.08527	13.6
316.09399	7.1
325.10666	10.0
325.14261	8.5
326.07639	4.2
327.08679	10.0
329.06384	33.6
343.08160	18.1
343.11743	8.9
343.15195	13.9
344.08835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51199	4.0
55.01853	6.8
55.05513	22.4
57.03422	6.0
57.07069	5.5
67.05485	47.3
69.07063	44.7
69.30335	16.8
69.30763	37.4
71.04987	9.2
71.08629	4.2
79.05482	32.2
80.05432	5.6
81.07042	100.0
83.04971	7.6
83.08610	14.7
85.06526	12.7
91.05458	33.8
93.07034	66.4
94.24995	4.4
95.04947	14.9
95.08588	93.3
97.06520	15.1
97.10145	9.2
103.05457	8.3
103.51224	4.3
105.07013	29.9
107.04952	6.9
107.08577	44.3
109.06498	7.7
109.10131	60.5
111.11678	8.0
115.05423	9.0
117.07012	7.8
118.32542	4.6
119.04934	9.8
119.08587	19.0
121.06429	6.3
121.10101	35.2
122.03621	9.5
123.04420	9.2
123.11703	23.6
125.09573	5.5
131.08548	12.4
133.02832	27.4
133.10121	21.5
135.11699	25.3
137.05974	39.0
137.09622	9.3
145.10088	13.0
147.04350	6.1
147.11662	19.6
148.42729	4.4
149.05959	14.0
149.13245	18.4
151.07542	6.4
153.05440	12.6
159.11716	10.6
159.38994	5.1
161.05841	4.7
161.13240	8.9
163.14697	11.4
165.05429	5.2
173.05978	8.4
173.13306	8.6
175.07570	7.9
177.05405	6.7
177.06943	7.1
177.16400	7.7
181.04970	9.9
181.06511	7.0
186.03059	5.3
189.16423	6.5
191.07079	4.7
193.08452	5.0
193.17566	4.9
194.07260	12.2
201.05417	20.1
205.06473	14.4
206.07372	5.5
207.08125	5.3
215.18112	5.4
219.06512	9.6
221.05910	8.0
222.06767	11.5
223.02359	5.2
223.07533	7.5
232.22235	5.0
233.05962	16.0
237.09009	12.1
239.06955	5.9
247.07590	5.2
249.05396	8.5
250.06229	17.6
251.06924	10.3
265.08627	34.0
266.09406	7.8
269.04535	6.1
271.24194	19.4
277.25220	8.4
279.06229	7.0
279.10287	6.3
282.08649	5.4
289.25235	24.5
292.07318	10.3
292.31104	4.3
293.07938	26.0
295.26187	6.6
297.11194	11.7
307.09494	23.5
307.26190	10.6
310.08240	5.9
312.06000	8.5
325.10648	37.8
325.27209	7.0
327.57187	14.3
336.57611	18.5
343.07788	25.0
343.11697	16.4
344.08759	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02381	3.1
53.03935	5.9
55.01863	6.1
55.05504	15.8
56.02398	2.8
57.03417	8.8
57.07055	8.7
59.04968	4.5
65.50773	2.5
67.05497	23.1
69.03426	11.6
69.07055	5.3
71.04986	25.0
74.33322	3.0
79.05489	26.0
81.03416	5.3
81.07050	31.8
82.66766	2.8
83.04955	7.7
85.06538	3.4
91.05478	34.6
93.07032	76.9
95.04962	63.6
95.08595	85.0
97.06513	17.0
98.66700	2.9
105.07021	93.7
107.04939	5.5
107.08584	57.2
109.06501	21.2
109.10132	6.8
111.08110	3.0
115.05433	8.0
117.07001	40.2
118.48821	2.8
119.08560	31.8
121.06510	16.5
121.10119	18.4
122.07265	3.0
123.08068	33.2
125.05975	5.4
128.06224	4.5
129.07011	3.0
130.07759	22.2
131.08559	9.2
133.06473	5.7
133.10126	20.3
133.46655	2.8
135.08080	28.3
135.11693	15.7
137.05978	4.2
137.09641	5.6
142.07690	3.9
143.08586	15.3
145.09001	5.9
145.10110	100.0
146.10410	3.2
147.08046	14.7
147.11700	3.6
147.66722	2.9
149.09572	9.2
151.07535	49.1
155.08577	2.7
155.10631	3.1
157.10091	8.9
159.08055	3.0
159.11697	8.7
161.09560	10.7
161.13190	4.9
163.11165	65.3
164.11481	4.0
165.09113	23.2
169.10152	3.5
171.11638	7.1
173.09575	5.9
173.13283	5.5
175.11140	6.0
177.09055	6.4
181.10106	4.6
181.12251	4.2
183.11691	5.2
187.11194	8.6
189.12729	10.2
191.14355	3.6
199.11099	4.7
203.14342	11.1
207.11897	4.3
207.13803	9.0
215.14293	4.2
217.12134	2.9
221.15329	33.9
225.12805	3.4
227.14140	3.9
233.15402	4.3
234.52077	3.0
243.13699	4.3
249.16588	3.3
263.16415	8.9
269.15240	3.7
325.21503	12.9
343.22668	91.5
344.22906	5.2
348.50980	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03929	9.1
55.01851	7.5
55.05502	23.3
56.93109	2.4
57.03413	7.8
57.07071	10.6
59.04985	9.0
65.03944	3.3
67.05500	31.0
69.03413	12.0
69.07046	8.9
70.92226	3.3
70.92603	7.7
71.04980	25.9
79.05475	34.8
81.03394	3.6
81.07043	31.9
83.04948	7.4
85.06512	6.3
91.05463	41.2
93.07030	80.4
95.04958	67.2
95.05475	1.6
95.08592	100.0
97.06515	17.6
103.05468	4.2
105.07010	99.5
106.07332	2.9
107.04923	5.7
107.08577	65.8
109.06510	17.5
109.10155	8.0
111.08057	2.9
115.05431	7.7
116.06243	2.2
117.06998	32.1
119.08557	33.1
121.06488	18.3
121.10117	22.6
122.07276	3.4
123.08066	37.6
128.06177	6.3
129.06992	8.6
130.07770	18.7
131.08577	11.6
133.06488	5.7
133.10104	18.1
135.08028	32.1
135.11670	21.6
137.05968	3.4
137.09625	6.8
142.07701	5.5
143.08549	15.0
145.06523	4.0
145.10100	99.2
146.10481	3.0
147.08047	16.1
147.11687	6.0
149.09610	8.9
151.07515	53.7
153.09070	4.4
156.09296	4.0
157.10121	9.4
159.08034	4.3
159.11646	7.6
161.09671	10.6
161.13277	5.4
163.07605	2.3
163.11159	80.5
164.11514	4.8
165.09082	23.6
167.08563	2.7
169.10138	5.0
171.11688	7.7
173.09586	7.5
173.13345	2.1
175.11122	5.7
177.09142	4.9
179.07027	8.2
179.10715	2.9
181.10086	2.9
181.12212	2.9
182.10855	3.0
183.11635	3.7
185.09769	2.2
185.13229	2.7
187.11160	4.2
187.14682	2.3
189.12701	14.1
191.14264	4.5
191.30394	2.6
195.11684	3.8
197.13257	4.6
199.14809	3.3
200.09239	2.9
203.14365	8.9
207.10094	3.5
207.11983	2.6
207.13782	9.6
209.13266	3.3
209.15300	2.8
213.12680	4.5
215.14235	2.7
217.12177	4.9
221.15309	32.4
233.15410	4.0
243.13899	5.1
263.16434	10.2
286.19254	8.6
287.16455	2.5
287.19934	4.3
307.20782	2.2
310.42764	2.3
325.21588	9.4
343.22647	95.6
343.26779	5.4
344.23004	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	343.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
53.32149	2.6
55.01856	5.9
55.05500	17.3
57.03424	10.1
57.07063	11.9
59.04990	4.8
64.58839	2.1
65.03908	5.0
67.05188	2.5
67.05494	25.3
69.03401	7.9
69.07042	6.8
69.67854	15.5
71.04974	18.9
75.96428	2.0
77.03930	2.0
79.05484	25.8
81.03359	2.9
81.07046	27.5
83.04958	6.0
83.08603	2.8
85.06509	6.2
90.20334	2.1
91.05460	38.9
93.07028	68.3
93.76077	2.4
95.04955	62.3
95.08588	94.9
96.08911	2.0
97.06504	17.3
103.05405	3.7
103.83106	2.1
105.07014	86.7
107.04917	4.9
107.08582	54.9
109.06508	17.2
109.10139	4.5
110.14317	2.3
115.05426	8.5
117.06997	32.4
119.08583	26.0
121.06506	18.3
121.10129	17.1
122.07234	2.9
123.08041	27.8
125.05969	2.6
125.09610	2.3
128.06175	3.7
129.06998	10.9
130.07788	16.9
131.08563	14.1
133.06479	5.2
133.10123	20.3
135.08041	28.4
135.11688	17.3
137.05951	3.8
137.09511	4.7
142.07784	5.4
143.08569	15.3
145.10098	100.0
146.07210	2.1
147.08029	14.1
147.11659	4.9
149.09604	7.5
151.07524	48.5
152.07869	2.4
153.09047	4.2
155.08498	4.8
157.10094	9.8
159.08017	4.0
159.11658	11.3
161.09564	9.1
161.13187	2.7
163.11159	72.6
165.09084	25.3
168.09412	2.2
169.10158	5.3
171.11690	4.6
173.09659	5.5
173.13271	6.7
175.11157	7.2
177.09088	6.0
179.07018	3.7
179.08496	2.7
181.10164	3.5
181.12244	5.4
183.11749	2.5
185.13191	3.6
187.11098	9.2
187.14784	2.6
189.12724	10.5
191.14246	2.4
197.13245	3.3
199.11206	3.2
201.12823	3.9
203.14337	10.7
207.10031	4.3
207.11975	2.5
207.13718	10.1
208.12328	2.7
209.13263	2.5
215.14197	2.6
221.15341	31.3
225.12613	2.9
227.14345	2.4
233.15346	4.9
243.13724	3.8
245.15361	2.9
263.16431	7.3
285.81625	2.3
286.19302	5.4
287.16318	3.6
287.19693	2.6
325.21628	13.3
343.22607	91.2
344.23010	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	343.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.50025	2.3
54.87307	2.5
55.01849	7.4
60.04519	3.1
67.05489	2.6
69.03421	4.2
69.05376	2.2
69.07043	3.3
70.06574	11.4
71.63010	3.5
79.05475	9.2
81.03402	5.8
81.07066	3.9
84.08124	5.1
85.02884	12.0
86.09679	2.8
94.04217	3.1
95.04924	4.3
96.82695	3.1
97.02885	6.2
103.05444	9.1
105.07020	61.9
107.04929	4.6
109.06458	2.7
110.06033	3.1
118.09470	5.0
119.04929	7.6
121.06554	3.1
122.03632	5.8
123.04375	4.3
127.03880	4.2
131.04921	2.5
133.02756	2.5
133.06476	100.0
137.05957	85.2
139.02087	3.0
147.04378	24.9
151.03893	6.2
165.05420	12.6
165.09096	39.7
165.10379	3.0
166.03239	7.9
169.06841	3.9
173.05717	2.6
180.08633	2.7
181.04874	4.5
194.02615	3.0
236.03882	3.9
287.58652	2.8
311.12381	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	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11628	1.3
53.03934	2.8
55.01857	3.1
55.05499	2.2
57.03436	3.2
61.02905	5.2
61.71817	1.3
67.05476	1.4
67.53679	1.3
69.03414	16.7
71.04984	3.0
71.65623	1.1
73.02911	2.5
79.05482	5.6
81.03400	8.3
81.07050	9.3
83.04961	6.2
84.08121	1.8
85.02889	34.4
85.06505	1.5
86.09683	2.3
87.04476	1.5
91.03929	1.6
91.05466	5.8
93.07034	10.8
95.04955	20.9
95.08601	1.9
97.02881	15.2
97.06499	3.6
99.04419	2.6
103.03938	1.6
105.07024	7.6
107.04923	4.1
107.08584	10.8
109.02843	5.2
109.06505	3.9
109.18665	1.4
117.06995	4.1
119.08542	6.0
121.06479	5.3
121.10127	12.9
125.05965	12.3
127.03867	8.3
130.07756	2.5
133.02840	4.8
133.06448	1.9
133.10138	1.9
133.34093	1.2
133.44031	1.2
135.08083	1.9
135.11668	7.2
137.05946	6.1
143.08592	1.4
145.04938	6.0
145.10089	19.0
147.04396	1.8
149.05917	2.3
150.06773	1.5
163.11157	100.0
165.09116	2.1
175.07663	1.3
175.11169	1.5
181.04907	4.3
181.12210	19.9
189.05486	1.4
193.12253	1.4
201.05450	1.9
205.06445	2.2
205.12146	2.4
233.05995	1.4
265.08582	3.2
292.07367	1.6
293.08118	2.2
299.08563	1.7
301.70944	1.6
307.09305	1.9
325.10544	3.5
343.08197	2.2
343.12335	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.04541	1.9
51.27817	1.7
53.03940	4.6
55.01851	6.2
55.05503	18.1
55.06318	2.2
57.03416	8.5
57.07067	11.4
59.04988	5.0
65.03899	2.4
67.05490	30.5
69.03419	14.0
69.07045	6.5
69.94228	11.2
71.01332	2.1
71.04688	1.8
71.04983	20.6
79.05487	27.1
81.03391	3.6
81.07048	33.2
83.04977	5.5
83.08597	3.5
85.06513	5.2
91.04948	2.9
91.05470	39.0
93.06445	3.7
93.07033	78.1
95.04956	67.9
95.08593	92.8
97.06528	19.5
103.05428	4.2
105.07017	93.9
107.04921	4.0
107.08579	62.9
109.06501	19.9
109.10107	5.6
109.10811	2.2
110.28580	2.0
115.05431	6.7
117.07001	42.8
119.08569	31.9
121.06483	22.2
121.10120	18.0
123.08048	29.1
125.05967	3.4
128.06223	5.3
129.06978	8.3
130.07773	17.7
131.08545	11.7
133.06448	5.9
133.10112	15.5
135.08038	30.9
135.11684	15.0
137.05936	4.0
137.09587	6.5
142.07701	4.3
143.08562	10.3
145.06491	4.0
145.10104	97.1
145.11256	5.2
146.10384	2.2
147.08028	19.7
147.11629	5.8
149.09630	4.8
151.07524	58.5
153.09119	4.6
155.08504	4.9
156.09282	4.4
157.10095	11.9
159.08054	4.9
159.11629	11.6
161.09644	12.1
161.13228	5.3
163.07480	4.6
163.11159	75.6
164.11458	2.6
165.09091	24.4
168.09349	3.4
169.10130	4.5
171.11642	8.0
173.09596	5.1
173.13225	4.9
173.35628	2.0
175.11128	6.4
175.14871	2.9
177.09119	6.8
177.67097	2.2
179.07040	5.8
181.10098	2.8
181.12201	4.2
183.11642	3.5
187.11131	6.8
189.12683	11.9
191.14322	4.9
195.11562	2.6
197.09625	2.6
197.13219	5.2
201.12596	2.9
203.14301	11.5
207.10167	4.8
207.13809	6.4
209.13272	3.1
209.15298	5.3
215.14246	4.5
217.12086	3.5
221.15335	31.8
223.14746	2.6
223.57788	2.3
225.16484	2.6
227.14346	4.2
232.01430	2.4
233.15292	4.8
245.15457	3.0
263.16449	5.7
269.08701	2.6
269.15137	4.3
286.19232	4.1
287.16599	2.9
287.19861	3.7
325.21503	9.9
343.07892	8.8
343.22617	100.0
344.22876	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	342.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
57.07067	8.3
57.07352	0.4
58.06587	1.2
61.44835	0.2
62.06084	3.2
63.81183	0.2
66.10973	0.2
68.87685	0.2
69.07048	0.5
69.53688	0.2
69.61310	1.2
71.08256	0.3
71.08624	4.4
72.08140	1.1
74.06062	0.4
77.58205	0.2
81.07040	0.3
85.10160	0.8
93.63454	0.2
95.08630	0.3
115.51549	0.2
115.84941	0.2
117.86433	0.2
130.15942	0.2
143.08536	0.2
145.05449	0.2
145.10086	0.2
150.10672	0.2
156.17473	1.6
170.18922	0.3
172.16838	0.3
174.18509	5.3
202.21695	0.4
212.23669	1.6
230.24745	4.9
266.86636	0.2
324.36316	1.0
342.37256	100.0
343.37579	8.4
346.78134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70330	1.7
55.89671	1.7
56.21751	1.8
56.96534	4.3
69.70413	11.0
87.12128	1.8
98.21462	2.5
98.97560	19.6
105.46866	2.2
116.98585	14.4
119.01872	3.3
134.99655	8.4
171.29007	2.0
174.97656	2.2
176.02434	2.2
176.97356	2.3
177.00937	11.5
178.00914	2.8
179.00717	4.8
183.06149	2.6
192.98801	4.1
194.98570	2.3
201.07224	4.2
216.98701	11.4
218.03622	3.4
218.98497	4.8
219.01913	19.4
220.01959	2.2
221.01782	5.0
234.96428	2.2
234.99828	22.3
236.00098	3.1
236.99469	11.8
240.98898	2.8
252.97398	4.2
258.96921	3.6
258.99869	26.8
260.00031	4.4
260.04636	2.8
261.00000	3.8
261.03098	19.5
263.02704	1.9
276.97610	10.9
277.01013	29.0
277.03693	2.8
278.01114	7.3
279.00742	7.6
280.93433	1.9
282.99921	59.8
283.06259	5.9
283.99985	10.9
284.36923	1.9
284.99762	6.4
285.99576	2.1
300.97531	17.6
301.00928	100.0
301.97998	3.5
302.01053	21.1
303.00906	8.4
304.01038	5.2
317.99005	2.8
318.98553	33.3
319.02048	6.1
319.98666	2.8
325.00922	9.2
335.42789	2.1
342.98242	4.4
343.02066	52.7
343.08215	3.9
344.02243	9.3
360.98871	11.2
361.03735	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.1
55.05244	3.8
55.05503	59.6
57.03424	4.2
65.39293	2.2
67.05496	18.4
69.03410	6.6
69.07059	27.5
69.98056	4.0
69.98470	7.8
79.05487	37.5
81.07050	19.8
83.04965	7.3
83.08606	37.6
85.06532	3.5
91.05460	16.9
93.07037	21.6
95.04941	7.4
95.08594	16.9
97.06503	6.7
97.10157	80.9
100.55236	1.8
105.07005	21.1
107.04954	3.5
107.08579	100.0
109.06467	3.5
109.10149	4.9
117.07011	8.5
119.08585	7.6
121.10117	7.5
123.08041	2.2
124.88312	2.4
125.09609	72.1
131.08568	3.2
133.10103	8.5
135.08002	15.9
135.11688	4.8
143.08560	3.6
145.10124	15.2
147.11653	3.4
149.09596	6.5
151.07523	3.9
153.09065	18.1
157.10194	2.4
157.12231	9.3
159.11674	4.2
161.13220	4.1
163.11165	7.4
171.10185	4.0
171.11633	3.7
173.13269	4.0
175.62679	2.1
181.12144	3.0
203.12755	92.1
239.17960	4.3
257.18912	11.4
275.20056	39.0
289.21735	11.9
307.22635	7.9
338.56635	2.1
343.22617	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	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	37.0
57.03399	13.9
67.05492	84.6
69.07054	52.3
70.32669	51.9
71.50252	11.9
79.05463	73.2
81.07047	100.0
83.04979	15.5
83.08606	15.6
91.05460	46.0
93.07035	57.6
95.04958	33.8
95.08579	58.2
95.41125	11.1
97.06531	30.2
98.09671	19.9
105.07016	51.6
107.08579	47.8
109.10123	13.2
117.07021	13.8
119.08567	53.7
121.10134	26.5
122.28641	11.2
123.08051	18.1
123.11636	11.0
124.91844	11.7
131.08568	15.9
133.10107	33.8
135.11678	39.7
138.98985	11.5
145.10124	16.5
147.11661	27.1
149.13286	12.3
156.17648	12.8
159.11691	21.8
161.13252	11.9
163.11200	18.9
181.12207	25.0
183.11710	12.1
275.20044	55.4
307.22519	20.7
351.23935	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.0
55.05520	11.5
57.07073	8.9
57.53913	7.7
63.46451	6.8
67.05502	11.6
67.78744	7.5
69.07065	13.6
71.60284	7.8
71.60670	11.2
79.05477	14.3
81.07045	18.4
85.06530	6.9
91.05454	12.2
93.07031	14.4
95.05003	9.1
95.08588	13.6
105.07019	19.0
107.05022	8.4
107.08620	9.6
109.10152	16.6
118.15366	6.7
119.08585	9.5
121.10115	6.8
123.11797	7.8
125.09577	11.6
133.10114	23.6
133.60240	6.9
151.11194	28.1
155.90802	6.6
275.19901	15.6
316.41187	6.6
342.37253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37120	1.2
53.03920	1.3
55.05505	8.3
57.03425	2.1
57.07067	12.4
61.02923	2.2
63.04488	1.2
67.05480	1.3
69.03423	2.0
69.07063	1.4
70.06581	10.2
70.77151	3.7
79.05504	1.7
81.03396	2.8
81.07047	1.5
83.05014	1.1
83.08624	4.0
85.02890	13.1
86.09706	3.5
89.06019	33.9
90.06316	1.1
91.05466	1.9
93.07034	2.1
95.08606	1.5
97.02888	4.1
99.04428	1.2
101.09650	15.8
103.05453	1.1
105.07005	2.2
107.04945	1.4
107.07053	37.1
107.63785	1.0
109.02886	1.5
111.04454	1.2
112.98209	0.9
124.07578	1.2
127.03897	2.3
133.02882	2.5
133.10123	1.3
137.05959	7.1
145.04973	1.8
149.05930	1.7
163.03893	3.2
163.13275	100.0
164.13681	1.9
167.07014	4.6
171.60562	1.0
173.06075	1.1
175.03862	1.9
175.07594	1.9
177.05232	1.0
181.04927	4.6
183.14877	2.2
195.06570	1.4
206.79327	1.1
211.14455	1.7
237.75156	1.0
253.55849	1.0
302.04324	1.4
315.04941	4.6
325.10535	1.3
342.06256	2.1
342.10205	1.4
343.08145	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83518	8.6
55.01857	21.0
55.05500	72.7
67.05501	72.8
69.03413	10.8
69.07060	100.0
69.99622	44.9
77.25449	7.9
79.05489	73.2
81.07049	48.9
83.08613	32.1
91.05463	48.0
92.46449	6.7
93.07035	42.9
93.63156	8.8
95.04967	19.1
95.08601	45.9
97.06525	24.8
97.10157	63.6
98.20798	13.4
105.07007	37.3
107.08582	85.9
109.06497	10.4
109.10147	33.1
111.08061	7.6
117.07008	16.7
118.28770	6.8
119.08574	31.7
121.10114	26.3
125.09631	64.1
127.89559	8.0
131.08553	20.8
133.10132	22.7
135.08064	19.0
135.11656	18.3
137.09665	13.1
145.10100	34.1
147.11671	12.4
149.09602	19.6
153.09085	15.4
159.11665	17.9
161.13188	9.7
163.11121	8.3
165.09081	7.7
168.73874	7.3
173.11769	10.1
173.13205	12.3
191.14241	9.4
201.78365	8.1
203.12753	63.9
209.35487	8.4
247.20476	9.6
258.93246	8.1
275.20032	57.3
289.21396	17.4
307.22482	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.0
67.05492	65.7
69.07048	38.0
70.13105	53.8
79.05487	38.4
81.07050	100.0
83.04964	18.9
84.62201	17.4
91.05463	33.1
93.07043	43.5
95.06618	16.8
95.08605	48.2
98.09716	29.0
98.21405	18.1
102.03925	15.1
105.07028	24.8
107.08597	47.1
109.06582	15.2
109.10133	24.4
119.08524	32.6
121.06516	20.8
122.35414	16.0
124.76232	15.9
131.08559	25.1
133.10129	21.3
135.11716	38.3
145.10133	20.9
149.13225	26.4
181.12163	30.3
238.35786	15.5
275.20117	16.1
307.35736	17.8
319.21033	26.9
337.22461	18.3
342.37341	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	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50927	1.4
52.59783	1.3
55.01865	2.8
55.05503	18.8
57.03413	3.1
57.07052	2.7
59.04980	3.0
61.56980	1.5
65.03937	1.6
67.05496	11.2
68.54665	1.3
69.03435	2.3
69.07059	100.0
69.27472	12.7
69.27891	2.9
71.04968	1.8
78.68533	1.3
78.69110	1.6
79.05489	13.1
81.07047	21.9
83.04976	2.0
83.08604	6.0
85.06522	3.8
85.10178	1.4
89.03916	2.0
91.05467	18.7
93.07042	20.2
95.04953	5.0
95.08590	15.3
97.02885	1.8
97.06516	21.0
98.21456	3.7
99.04426	1.8
100.72816	1.4
103.05411	1.5
105.07011	32.4
107.04955	2.0
107.08575	13.2
109.06496	2.7
109.10147	13.5
111.08023	2.2
111.11708	20.5
115.05441	2.5
117.03378	2.8
117.06980	3.4
118.07802	1.3
119.04962	1.7
119.08582	13.9
121.06493	2.0
121.10136	31.0
122.08910	1.5
123.08038	2.4
123.11677	5.3
129.07007	3.2
131.04947	1.8
131.08516	7.6
133.10109	65.7
133.46800	1.5
134.10478	1.5
135.11688	4.5
137.05948	12.0
139.11171	11.0
142.07770	2.1
143.08565	3.5
145.02829	3.8
145.10104	7.4
146.03142	2.5
147.11630	7.5
149.05956	2.2
149.13237	5.3
151.11157	4.6
157.10068	4.3
159.07982	1.9
159.11665	3.9
161.06030	1.8
163.03871	1.9
167.07004	2.4
167.14357	1.6
171.11638	2.0
173.13173	2.0
175.07564	3.8
175.11136	3.4
177.05467	8.4
178.05801	3.4
179.06013	4.8
181.06442	2.4
185.13246	2.0
187.07486	4.8
189.05453	1.7
191.08569	1.9
199.07497	3.6
203.08607	1.9
206.79573	1.5
217.08575	3.3
229.04947	1.5
241.08646	3.3
243.06352	2.4
245.08031	5.7
251.10410	1.6
266.09207	1.7
275.23743	2.1
285.10965	1.7
287.23706	3.1
291.09985	2.4
297.11163	4.1
309.11301	2.2
313.14252	1.9
323.12750	1.9
341.10193	2.6
341.13803	14.5
341.20908	4.4
341.24850	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	341.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03424	1.5
61.02908	1.6
68.99787	1.9
69.03412	1.1
69.94058	1.6
69.94469	2.8
70.06580	0.9
71.68690	0.7
73.02869	0.7
73.04769	1.2
76.00857	0.9
81.03409	0.8
83.99133	0.9
84.08153	0.7
84.87975	0.7
85.02896	4.6
87.39972	0.8
91.05787	2.8
97.02875	2.5
103.03918	2.2
105.07030	0.9
107.04932	1.6
109.02869	1.3
115.05452	0.8
119.04900	0.8
121.06575	1.4
128.06197	1.1
133.06480	1.2
135.04369	1.2
137.05975	1.9
147.04382	4.4
151.03838	1.2
161.05963	1.5
163.03918	2.2
167.07040	1.1
171.04367	0.9
175.03894	25.6
176.04349	0.9
178.02577	1.0
179.03374	7.9
181.01244	1.7
189.01857	2.1
189.05429	8.5
191.03377	100.0
192.04156	6.9
193.08676	0.9
199.03839	1.2
201.05452	0.9
203.03374	19.8
203.06993	1.2
205.04953	2.1
207.02881	1.7
213.05424	3.0
215.03336	5.3
216.03989	1.8
217.01338	2.6
217.04950	22.6
219.02870	1.8
219.08250	1.0
221.04430	95.6
222.04797	2.8
229.04948	2.5
231.06442	5.1
241.04890	5.2
243.02914	1.5
245.04442	34.1
257.04440	12.8
259.05997	1.2
269.04401	13.8
269.07086	1.1
275.05487	19.3
287.05493	15.6
305.06534	9.4
323.07571	3.1
323.11743	1.0
341.08624	2.9
341.12524	2.2
341.17422	0.7
359.02820	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49080	0.4
53.03935	2.2
55.01860	2.4
55.23134	0.4
57.03410	2.0
59.04987	0.6
61.02895	0.7
67.05491	0.5
69.03423	16.0
70.06568	1.2
71.01325	0.7
71.04984	4.9
71.62242	0.9
71.92206	0.5
73.02903	0.7
73.04727	0.6
79.05444	0.9
81.02955	0.9
81.03406	16.7
81.07032	0.8
83.06055	0.5
84.04483	1.0
84.08105	0.6
85.02882	0.9
86.82339	0.4
91.05359	0.8
91.05825	1.4
93.06999	1.2
95.04936	0.9
97.02854	1.2
99.04444	6.1
105.07010	1.4
106.06555	0.6
107.04909	1.7
107.08559	0.7
109.06514	0.7
110.90982	0.4
111.04391	0.4
113.03487	0.5
115.05414	0.5
117.05427	1.1
118.06583	0.4
119.04874	0.6
119.08578	0.7
121.06478	0.7
121.10143	0.6
123.04385	1.0
124.07552	0.7
131.04918	0.8
133.06599	1.1
133.07582	5.8
133.10095	0.5
134.05994	2.0
135.09155	1.0
135.11662	0.5
136.06143	0.8
136.07495	0.4
137.05952	8.6
138.05446	0.6
144.05667	0.9
145.07578	0.7
147.04404	1.3
149.05974	0.8
151.03860	1.1
152.06975	0.5
157.06461	0.5
160.07530	1.0
161.05949	0.9
161.07095	10.3
161.13216	1.1
163.08662	6.4
164.07028	0.5
165.07487	0.6
174.06665	0.5
175.07468	1.1
177.05444	1.6
178.05881	0.6
178.07397	0.9
179.03371	1.9
179.08205	1.1
181.04955	0.9
187.07487	2.3
189.06593	7.7
189.09079	1.2
191.08180	6.4
199.07530	0.6
201.18556	0.4
203.08408	1.3
205.06569	0.5
207.07626	100.0
208.07961	2.3
211.07613	0.6
217.08611	1.2
219.08008	1.3
221.09410	0.7
227.07010	0.7
229.09660	0.5
231.07983	1.0
237.09329	0.5
247.07484	0.7
248.08302	0.8
249.08754	2.0
263.10724	0.5
265.08499	0.5
277.08688	0.7
279.10175	1.0
281.11624	0.5
287.10352	0.7
291.10153	1.7
295.09198	0.5
296.10641	0.5
305.11331	2.1
309.11017	0.6
311.12772	1.2
323.12381	32.3
324.12741	1.2
341.10477	1.2
341.13434	25.3
342.13928	0.8
351.13358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01856	2.0
55.05501	13.4
57.07054	3.1
59.04993	3.1
59.97971	1.3
62.12381	1.3
64.60847	1.4
67.05499	9.5
69.03403	3.7
69.07057	100.0
70.01930	7.9
70.07390	1.3
71.04964	1.3
72.89153	1.4
79.05472	12.8
81.07046	20.0
83.08601	4.6
85.06524	3.5
91.05460	19.2
93.07033	23.3
95.04942	4.6
95.08586	14.4
97.06515	13.4
97.10146	2.0
98.20829	1.7
99.08091	1.4
105.07010	33.4
107.08563	11.7
109.06487	3.5
109.10143	10.4
111.08060	2.1
111.11710	20.3
117.03364	1.8
117.06973	2.6
119.04897	1.8
119.08572	15.7
121.06493	2.6
121.10128	35.8
123.04453	2.1
123.11683	4.3
129.06944	1.7
131.08556	8.0
133.10106	69.4
135.11687	4.8
137.05956	6.9
137.13219	2.5
139.11150	12.4
142.07706	2.6
143.08514	1.9
145.02814	5.5
145.10117	6.6
146.03064	2.5
147.03325	2.5
147.11653	7.5
149.05983	2.1
149.13158	3.7
151.11143	5.1
157.10153	3.6
159.11674	7.5
167.14378	1.7
169.78487	1.8
173.13196	2.6
175.11168	4.6
177.05453	9.5
178.05779	4.9
179.05989	5.5
185.13298	2.1
186.06921	1.3
187.07449	3.0
214.45287	1.3
241.08342	2.2
245.08020	1.8
269.11478	1.6
275.23608	2.8
287.23651	3.5
297.11111	3.0
341.10059	2.9
341.13687	7.6
341.20895	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.25503	0.8
53.03930	1.2
55.05503	31.7
57.03173	1.0
57.03431	17.4
57.07069	13.6
60.66005	0.7
63.68265	0.8
67.05148	1.5
67.05493	25.3
69.07056	48.8
69.93380	4.8
71.04967	1.2
71.08625	8.2
72.65324	0.7
79.05485	11.7
81.07044	27.8
83.04928	1.1
83.08607	30.7
85.06518	1.8
85.10148	3.7
91.05447	1.2
93.07024	14.5
95.08594	24.3
97.06509	4.3
97.09586	1.3
97.10153	18.0
99.08065	1.1
107.08567	9.8
109.10143	12.3
111.08050	2.9
111.11704	4.7
113.09669	1.0
121.10123	14.5
123.11689	2.8
125.09599	2.2
135.11665	11.7
137.13251	1.1
139.11166	2.3
149.13248	5.7
151.14738	0.9
153.12701	1.1
163.14787	2.3
165.16397	1.4
167.14217	1.0
177.05484	0.9
177.16325	1.8
247.24153	3.5
265.25201	4.6
283.16937	1.4
339.28897	100.0
340.29276	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	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.2
55.01851	8.0
55.05269	3.0
55.05500	33.2
57.03426	15.6
57.07058	3.7
59.04982	3.2
65.03925	5.1
67.05140	3.5
67.05494	68.6
69.03405	7.7
69.07049	14.5
71.04978	31.4
71.63716	3.5
73.02901	5.0
73.06551	3.0
78.14185	2.5
79.05483	50.4
81.03407	32.8
81.07039	67.6
83.04970	60.6
83.08593	9.0
85.02887	2.4
85.06509	6.4
89.06676	2.4
91.05467	45.6
91.06034	2.8
93.07027	55.4
94.07304	2.8
95.04957	21.7
95.08590	39.6
97.06513	13.1
97.10162	3.7
98.06721	2.0
99.04433	8.3
101.06001	3.0
105.07007	35.3
107.04928	27.7
107.08566	23.4
109.06500	16.0
109.10126	9.4
111.04400	6.8
111.08047	7.0
113.06007	2.5
117.03389	2.3
117.06992	19.3
119.04878	3.3
119.08572	23.2
121.06480	14.0
121.10117	9.5
123.04381	6.9
123.08032	12.7
125.05969	10.2
128.06204	3.1
129.06975	10.6
131.08531	24.9
133.06456	9.1
133.10095	21.3
135.04393	3.3
135.08043	9.1
135.11644	14.5
137.05934	6.5
137.09579	2.8
139.07565	3.1
141.06982	7.7
142.07780	3.0
143.08527	9.5
145.02782	5.6
145.06454	10.1
145.10098	17.2
147.07976	8.2
147.11665	9.5
149.05948	8.1
149.09590	4.8
149.13229	8.3
151.07472	6.7
153.06927	2.6
155.08488	6.1
157.10081	6.5
159.07977	11.9
159.11658	18.5
161.09567	8.4
161.13213	7.1
163.07547	9.4
163.11122	14.9
169.10065	7.3
171.11658	15.7
173.09610	6.7
173.13229	8.2
175.11154	4.2
177.05431	9.9
177.09160	5.0
177.12741	15.3
179.14241	3.1
183.10144	6.4
183.11572	4.7
185.13260	3.3
187.11201	8.2
187.14702	2.6
189.12756	13.9
191.14395	4.7
199.11110	4.5
205.12210	2.5
205.15862	5.6
207.13773	6.6
209.13336	2.9
215.14365	4.9
217.12231	8.1
219.13744	7.5
225.16403	5.3
233.15250	23.4
235.13002	3.5
237.14754	4.4
242.73032	2.3
243.17401	4.9
249.14822	3.3
253.16014	5.3
261.18454	17.8
271.16956	17.9
283.93594	2.3
289.17917	100.0
290.18262	5.2
303.19449	13.5
321.20474	24.1
339.15686	5.1
339.22086	4.7
339.27405	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	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	26.9
54.75911	3.3
55.01862	11.8
55.05506	53.7
57.03426	24.9
58.67332	3.2
59.04974	3.4
64.06418	3.4
65.03922	6.8
67.05154	6.1
67.05498	97.2
69.03416	10.6
69.07059	18.8
70.30629	15.2
71.04987	53.6
73.02888	6.5
73.35641	3.4
79.05038	5.6
79.05482	68.2
81.03404	68.3
81.07047	100.0
83.04970	60.7
83.08602	14.0
85.02903	3.4
85.06522	13.4
91.05467	74.3
93.07034	86.5
93.63536	3.8
95.04953	45.6
95.08602	58.8
97.06529	16.7
97.10161	8.6
99.04450	4.8
99.08109	4.5
101.06010	7.9
103.05456	7.1
105.07020	54.2
107.04929	37.2
107.08582	30.6
109.06506	40.4
109.10149	18.4
111.04410	8.1
111.08060	6.6
115.05458	3.7
115.07566	4.3
117.06998	32.6
119.04933	5.4
119.08571	37.5
121.06483	21.9
121.10124	16.4
123.04431	9.1
123.08100	18.4
123.11707	4.6
125.05943	8.4
128.06248	10.4
129.06998	16.3
131.08549	40.4
133.06468	16.7
133.10123	27.9
135.03000	4.9
135.08031	12.8
135.11665	23.0
137.05937	7.9
137.09631	6.1
137.72845	3.9
141.06958	8.9
142.07802	3.9
143.08531	14.7
145.02840	10.6
145.06479	11.0
145.10110	23.8
147.08035	17.7
147.11655	16.4
149.05969	7.9
149.09558	7.6
149.13254	14.1
151.07452	5.9
155.08556	10.3
157.10123	19.7
159.08049	21.7
159.11670	27.1
161.09608	17.1
161.13257	10.7
163.07657	7.1
163.11203	6.7
169.10069	11.7
171.08112	5.7
171.11653	17.3
173.09634	9.6
173.13242	9.7
175.11176	16.2
177.05463	24.9
177.09091	5.4
177.12711	21.5
183.10213	9.2
183.11707	6.3
185.13213	6.6
187.11166	11.7
187.14801	4.4
189.12767	9.6
191.14244	7.1
199.11084	5.6
201.12709	5.9
205.12083	4.8
207.13795	10.3
213.12764	4.4
215.14253	7.5
217.12233	4.4
219.13733	13.8
225.14639	4.2
229.12206	4.3
231.13821	5.9
233.11658	4.5
233.15363	12.6
237.14806	11.2
243.17458	8.7
249.14822	3.6
253.15941	10.1
261.18451	21.8
271.16980	31.0
289.17953	92.1
303.19446	38.1
321.17044	3.5
321.20462	20.0
335.20178	4.7
339.15552	6.9
339.21838	15.9
339.27341	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	339.1587
Annotation	Gancaonin X
Peak:m/z	Relative Intensity
53.03936	1.1
55.01866	1.4
55.05497	1.8
57.03402	1.3
57.68111	0.7
58.29238	0.7
67.05472	2.5
68.99767	4.3
69.03423	4.8
69.07027	1.3
71.66199	1.0
75.28760	0.8
79.05484	6.9
81.03416	2.0
81.07043	4.4
83.04964	1.2
83.08581	1.0
85.02892	1.0
86.67910	0.8
89.03883	1.4
91.05475	6.0
93.07040	3.9
94.04105	1.2
95.04929	1.5
95.08567	2.7
97.02864	1.7
97.06486	3.3
103.05432	6.5
103.76652	0.8
105.07024	11.9
107.04935	8.9
107.08553	2.1
109.06490	8.5
109.10150	1.2
115.05460	1.0
117.03368	7.2
117.06989	3.5
119.04915	1.5
119.08595	3.6
121.06464	1.4
121.10152	4.6
123.04404	2.1
124.43388	0.9
127.03889	2.0
128.06197	3.5
129.06966	1.3
131.04898	3.1
131.08525	1.7
132.05670	1.4
133.06467	4.3
133.10092	2.7
135.04396	2.0
135.08026	9.7
137.05956	100.0
138.06268	2.1
141.07010	1.4
142.07811	0.8
143.08543	6.6
145.02832	14.5
145.06453	3.1
145.10025	1.0
146.07237	3.0
147.04366	4.3
147.08025	2.0
147.11679	1.3
148.05136	1.4
149.05956	4.7
157.10118	1.2
159.08022	1.9
160.05185	2.1
161.05942	6.6
161.09604	7.0
163.07521	39.8
167.08553	1.0
169.06450	0.9
169.10083	1.6
171.08011	11.0
173.05939	1.9
173.09502	0.8
174.06746	8.6
175.07538	1.5
177.05447	27.6
178.05678	1.1
187.07460	2.1
187.11351	1.0
189.09082	52.3
191.10571	1.2
195.08086	1.0
199.07539	1.1
200.08347	1.8
203.10641	17.8
213.09082	0.9
215.10674	6.1
225.09181	0.9
229.19435	0.9
241.08536	1.8
242.09311	1.1
243.10188	1.8
263.63699	0.9
297.20261	1.1
321.14694	1.2
329.80249	0.9
339.12143	1.8
339.15845	33.2
339.22928	2.7
339.26819	1.0
340.16336	1.7
354.69278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19287	3.3
55.05513	4.8
56.96543	10.1
64.63084	3.1
67.05492	8.4
69.03408	11.8
69.45943	5.6
69.46341	27.2
70.06554	3.6
70.46083	3.7
79.05471	5.3
81.03401	5.9
83.04967	12.3
84.08143	3.4
84.66060	3.1
85.02888	10.0
85.06528	7.0
86.06058	8.2
87.04477	3.3
90.24623	3.7
91.05463	13.8
94.06554	22.4
95.04972	6.2
97.02876	3.9
97.06490	5.3
105.07015	6.0
107.04964	3.5
107.08670	3.3
108.08088	15.8
109.06512	4.5
111.04427	8.4
116.98591	6.8
117.03372	7.8
119.04921	27.3
120.08088	21.2
121.02844	5.6
122.05999	20.5
123.04391	4.0
123.06791	10.5
124.07626	3.8
125.07050	4.6
128.07162	3.9
134.09596	4.8
135.04387	7.5
136.07564	17.7
137.05940	7.1
138.05467	3.6
139.03893	8.2
144.08086	6.9
145.02824	17.9
147.04398	100.0
148.04605	3.9
148.07533	18.0
149.05974	11.5
158.09605	3.6
161.08388	3.5
162.07953	4.0
162.09096	16.1
163.03906	7.1
164.07022	10.3
165.05423	6.3
166.08606	9.2
174.09167	5.6
174.12700	4.4
177.05379	31.5
184.11215	9.1
186.09106	8.3
187.09862	8.2
190.08554	18.2
193.01877	3.4
202.08607	8.3
202.12279	9.6
206.08331	7.2
207.03079	7.2
212.10666	9.8
214.08601	9.9
215.09387	7.0
220.13423	4.9
224.09152	3.9
225.04181	4.5
230.11731	28.0
232.09637	6.9
233.04549	4.1
236.09175	10.6
239.11771	9.4
240.10220	8.2
248.12807	16.3
253.03743	3.8
255.01791	9.5
257.12961	5.8
258.11209	31.6
261.03918	12.1
267.11276	16.8
272.11533	10.1
273.12366	5.3
275.13843	14.6
276.12283	59.7
285.12320	33.0
286.10651	11.9
294.13242	7.5
303.13315	37.0
304.11661	44.8
321.14407	18.9
322.12543	23.2
339.11768	8.4
339.15500	60.1
350.58374	3.1
360.49982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01866	1.4
55.05497	1.8
57.03402	1.3
57.68111	0.7
58.29238	0.7
67.05472	2.5
68.99767	4.3
69.03423	4.8
69.07027	1.3
71.66199	1.0
75.28760	0.8
79.05484	6.9
81.03416	2.0
81.07043	4.4
83.04964	1.2
83.08581	1.0
85.02892	1.0
86.67910	0.8
89.03883	1.4
91.05475	6.0
93.07040	3.9
94.04105	1.2
95.04929	1.5
95.08567	2.7
97.02864	1.7
97.06486	3.3
103.05432	6.5
103.76652	0.8
105.07024	11.9
107.04935	8.9
107.08553	2.1
109.06490	8.5
109.10150	1.2
115.05460	1.0
117.03368	7.2
117.06989	3.5
119.04915	1.5
119.08595	3.6
121.06464	1.4
121.10152	4.6
123.04404	2.1
124.43388	0.9
127.03889	2.0
128.06197	3.5
129.06966	1.3
131.04898	3.1
131.08525	1.7
132.05670	1.4
133.06467	4.3
133.10092	2.7
135.04396	2.0
135.08026	9.7
137.05956	100.0
138.06268	2.1
141.07010	1.4
142.07811	0.8
143.08543	6.6
145.02832	14.5
145.06453	3.1
145.10025	1.0
146.07237	3.0
147.04366	4.3
147.08025	2.0
147.11679	1.3
148.05136	1.4
149.05956	4.7
157.10118	1.2
159.08022	1.9
160.05185	2.1
161.05942	6.6
161.09604	7.0
163.07521	39.8
167.08553	1.0
169.06450	0.9
169.10083	1.6
171.08011	11.0
173.05939	1.9
173.09502	0.8
174.06746	8.6
175.07538	1.5
177.05447	27.6
178.05678	1.1
187.07460	2.1
187.11351	1.0
189.09082	52.3
191.10571	1.2
195.08086	1.0
199.07539	1.1
200.08347	1.8
203.10641	17.8
213.09082	0.9
215.10674	6.1
225.09181	0.9
229.19435	0.9
241.08536	1.8
242.09311	1.1
243.10188	1.8
263.63699	0.9
297.20261	1.1
321.14694	1.2
329.80249	0.9
339.12143	1.8
339.15845	33.2
339.22928	2.7
339.26819	1.0
340.16336	1.7
354.69278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1223
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03932	1.9
55.01863	3.8
55.05511	1.1
60.49619	0.9
63.87609	0.9
67.05506	1.3
68.99786	5.1
69.03426	10.0
69.07063	0.9
70.23557	4.0
78.06372	0.8
79.05485	4.0
81.03407	1.8
81.07066	6.6
85.02890	1.2
89.03907	4.7
91.05473	5.3
91.65768	1.1
93.07034	2.8
93.17499	1.1
94.04176	1.4
95.04964	3.7
95.08615	1.0
97.02879	2.5
97.06522	5.9
98.21370	1.2
103.05460	3.6
105.07000	5.6
107.04967	1.2
108.97092	0.9
109.06503	5.5
113.96625	1.2
115.05446	3.4
117.03367	22.1
117.07014	2.5
121.06502	6.4
123.04417	46.7
127.03875	4.9
128.06253	1.1
129.07001	1.2
131.04909	3.2
131.08574	1.7
132.05695	2.3
133.06479	3.8
134.03586	1.2
135.04433	1.5
135.08040	2.6
137.05960	75.9
138.06323	1.4
141.06987	3.5
143.04984	1.2
144.05724	1.3
145.02832	48.9
145.06477	3.7
146.03122	1.5
147.04387	6.8
149.05963	28.0
151.07503	1.6
157.06567	1.5
159.04416	1.4
159.08070	4.0
160.05199	15.3
161.05954	7.5
163.07530	5.6
169.06514	3.9
171.04411	1.3
173.05968	3.2
174.06688	1.2
175.03964	1.1
175.07547	10.3
177.05450	100.0
178.05846	3.4
179.07036	3.3
185.06078	1.3
186.05420	1.1
187.07506	5.2
188.04675	1.2
189.05447	50.1
189.09032	3.0
195.06544	1.5
197.05956	1.4
201.09122	1.3
202.06290	1.4
203.06998	30.5
204.07327	1.3
207.06538	2.0
215.07004	8.2
217.08630	2.0
229.08546	1.6
265.08414	1.1
267.13849	1.1
306.26993	0.9
311.12918	1.2
311.16595	1.7
321.09671	3.0
339.08185	1.4
339.12277	21.1
339.16000	2.5
340.12628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05500	0.4
69.03419	11.5
69.31940	0.4
71.17738	1.0
81.03400	3.2
85.02896	1.2
89.03902	6.4
91.05478	1.1
93.07046	0.5
95.04992	0.4
95.08575	0.6
97.02871	2.2
97.06481	0.6
99.04444	0.8
103.05472	0.6
106.04185	0.5
109.02863	1.9
117.03357	24.3
117.82758	0.4
118.03708	0.6
119.04888	0.4
121.10100	0.4
127.03903	4.2
131.04814	0.4
134.03598	1.8
135.04370	1.7
137.05966	1.4
145.02821	57.3
146.03168	1.7
147.04379	0.7
149.05966	8.0
149.07179	0.5
150.45831	0.4
156.63542	0.4
163.03894	0.7
175.03871	0.9
177.05437	100.0
178.05756	3.9
186.05486	1.1
195.06525	0.9
207.06512	1.1
218.10803	0.4
297.03671	0.4
321.09650	3.6
339.10928	1.6
339.15646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03923	0.3
53.88897	0.2
55.01875	0.3
57.03432	0.3
57.03684	0.2
58.23342	0.2
59.94535	0.2
63.02354	0.4
67.05504	0.2
69.03420	12.1
69.07070	0.7
70.03453	0.7
70.03843	0.4
71.01368	0.3
79.05472	0.6
81.03413	1.2
81.07056	0.6
84.98227	0.2
85.02895	0.9
89.03903	6.1
91.05466	0.9
93.07038	0.3
95.08589	0.4
97.02873	1.5
97.06512	3.1
98.65827	0.2
99.04447	0.4
103.05444	0.6
106.04137	0.4
109.02876	0.8
109.10099	0.3
117.03361	21.7
118.03699	0.4
119.04935	0.5
119.08593	0.3
127.03898	5.7
134.03629	1.5
135.04408	1.2
137.05939	0.6
140.11841	0.2
145.02824	53.4
146.03169	1.4
147.04424	0.5
149.05962	8.3
158.05933	0.3
161.05963	0.4
163.03883	0.7
173.05904	0.5
175.03885	0.3
177.05441	100.0
178.05788	4.5
186.05492	1.7
187.07600	0.3
195.06467	1.0
195.08018	0.3
199.07407	0.3
201.05481	0.4
207.06412	0.6
214.06120	0.4
215.06987	0.4
215.10675	0.6
225.09062	0.6
228.07115	0.3
231.06479	0.4
233.07954	0.5
243.10213	0.7
261.07672	0.6
261.67319	0.2
267.13745	0.4
311.16434	1.5
321.09695	1.8
339.10684	3.3
339.15823	1.6
340.10907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
63.39238	0.3
69.03045	0.7
69.03419	11.5
69.60443	1.6
69.60862	1.1
79.05475	0.5
81.03402	0.5
85.02899	0.9
89.03906	5.3
91.05478	0.6
97.02872	1.4
97.06535	0.6
99.04398	0.4
103.05470	0.5
103.07200	0.3
106.04145	0.5
109.02863	0.8
117.03358	18.9
118.03710	0.5
127.03896	4.5
134.03639	1.4
135.04384	1.4
137.05966	0.8
145.02823	51.5
146.03185	2.5
149.05968	7.3
163.03888	0.5
177.05440	100.0
178.05811	4.4
186.05464	1.0
195.06461	1.0
198.53813	0.4
203.07115	0.4
207.06561	0.6
209.79822	0.4
221.21646	0.3
231.06396	0.4
233.07947	0.5
244.36360	0.4
261.07446	0.6
308.23889	0.4
311.12897	0.4
321.09552	2.0
322.09866	0.4
339.10776	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	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.40038	0.2
51.79992	0.3
55.01870	0.3
55.05494	0.3
56.13518	0.2
57.03416	0.4
61.02906	0.3
69.03419	11.8
69.07071	0.3
69.74517	2.0
71.04982	0.4
81.03428	1.4
81.07039	0.4
85.02885	0.7
89.03905	6.7
91.05466	1.1
93.07031	0.4
95.04977	0.6
97.02878	2.3
99.04462	0.4
103.05491	0.5
105.03358	0.3
106.04144	0.7
109.02857	1.0
111.19289	0.3
117.03362	20.6
118.03708	0.4
119.04949	0.7
127.03896	4.7
134.03622	1.5
135.04388	1.6
137.02350	0.4
137.06000	0.7
145.02824	52.6
146.03159	1.3
147.04413	0.8
149.05954	6.9
163.03929	0.8
175.03877	1.2
177.05441	100.0
178.05783	2.9
186.05482	1.1
195.06482	1.1
199.07518	0.3
207.06488	1.2
219.14760	0.3
233.08047	0.5
261.69003	0.3
273.86752	0.3
297.55148	0.3
321.09659	2.7
339.07950	0.4
339.11038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84142	0.4
61.02916	0.5
61.49886	0.4
63.02356	0.9
69.03064	0.5
69.03419	9.7
71.11103	0.8
79.05428	0.4
81.03397	1.0
85.02842	0.5
88.47108	0.5
89.03376	0.5
89.03900	6.4
91.05489	0.6
95.04934	0.4
95.14067	0.4
97.02858	1.2
102.95887	0.4
109.02846	0.8
113.41717	0.4
117.03362	19.4
118.03638	0.6
119.04948	0.4
120.84823	0.4
127.03889	4.3
127.66487	0.4
134.03598	1.6
135.04398	1.4
136.00581	0.4
141.29602	0.4
145.02821	49.1
145.88817	0.4
146.03149	0.9
149.05951	7.0
152.40359	0.4
158.05913	0.4
163.03899	0.8
177.05440	100.0
178.05811	1.5
182.62535	0.4
186.05533	1.1
195.06473	1.3
215.07025	0.4
261.07669	0.5
285.23685	0.4
321.09616	1.6
339.11041	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	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.02389	0.2
55.23954	0.2
57.23547	0.2
63.02364	0.5
69.03419	12.1
70.06653	1.3
81.03406	0.2
85.02904	0.9
89.03896	5.8
89.49493	0.2
91.05492	0.4
97.02876	1.0
98.21429	0.4
99.04453	0.2
103.05447	0.4
106.04151	0.3
109.02885	0.7
117.03358	18.4
118.03689	0.5
118.70101	0.2
121.02036	0.2
127.03893	4.5
127.04746	0.4
131.04903	0.3
132.96829	0.2
134.03622	1.3
135.04366	1.3
137.05943	0.4
145.02821	53.2
146.03137	1.4
149.05956	7.1
159.51297	0.2
163.03870	0.8
163.07509	0.2
164.42995	0.3
177.05440	100.0
178.05771	3.2
186.05460	1.0
195.06474	2.1
220.58128	0.2
231.06436	0.2
233.07968	0.3
261.07660	0.5
321.09634	1.3
329.85812	0.2
339.10834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
61.02905	0.5
63.02378	0.4
69.03422	10.3
70.02702	1.4
79.05484	0.4
80.50378	0.4
81.03407	4.2
81.07039	0.4
82.06574	0.5
85.02882	2.0
89.03903	6.4
91.05477	1.4
92.11978	0.3
93.07037	0.5
95.04966	0.6
97.02889	4.1
99.04440	0.9
105.07011	0.4
107.08591	0.4
109.02851	2.1
117.03360	23.4
119.04919	1.0
127.03905	4.4
128.07025	0.7
134.03641	1.6
135.04408	1.9
137.05975	1.2
145.02827	54.6
146.03154	0.4
147.04355	1.6
149.05959	8.2
154.14110	0.4
162.03163	0.5
163.03876	1.4
175.03935	2.2
177.05447	100.0
178.05812	1.5
186.05521	0.9
187.07521	0.4
189.05429	0.7
195.06494	1.9
199.07524	0.3
207.06496	2.6
215.07117	0.4
233.07990	0.5
275.95258	0.4
279.08746	0.5
315.05093	0.4
321.09656	5.7
339.08255	1.2
339.11273	1.2
345.09674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03928	2.2
55.01857	1.0
55.05508	33.7
56.51881	0.8
57.03434	24.2
57.07067	5.3
65.03919	2.9
65.46828	0.8
67.05499	78.0
68.05803	1.9
69.07059	41.8
69.57228	5.7
70.07383	1.0
71.04964	2.1
71.08611	1.8
79.05483	19.1
81.07047	75.0
82.07386	1.3
83.04974	2.0
83.08614	22.1
85.06538	1.8
85.10198	0.9
85.60513	0.7
89.63898	0.8
91.05466	10.9
93.07040	17.4
95.04932	1.7
95.08596	60.4
96.08884	1.8
97.06518	4.7
97.10158	10.6
99.08044	1.5
105.07032	9.0
107.08586	11.9
109.10144	23.7
111.08056	2.8
111.11694	2.3
119.08537	8.4
121.10151	8.6
123.08009	1.2
123.11700	11.2
125.09595	1.5
133.10115	9.1
135.11705	4.6
137.09630	1.4
137.13200	4.1
147.11664	5.1
149.13228	3.9
151.14789	1.0
153.12801	0.9
161.13217	4.5
163.14804	2.1
165.05005	1.0
175.14819	2.6
189.16324	1.7
203.18051	0.9
245.22647	4.0
263.23660	5.1
337.27328	100.0
338.27744	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	338.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89851	0.5
53.03939	1.0
55.05506	0.7
59.13807	0.4
67.41206	0.4
69.00909	0.7
69.03423	0.7
70.91029	1.4
78.55547	0.4
79.02971	2.3
79.05485	0.8
81.03399	0.6
81.04532	5.5
83.04976	1.4
84.30483	0.4
85.02898	1.8
86.09666	0.5
97.04030	1.1
97.06523	6.8
97.07102	0.7
98.27769	0.4
99.04453	1.6
103.03931	1.2
106.04031	16.3
107.02463	0.5
108.05589	24.9
109.02862	3.1
110.40759	0.4
115.71328	0.4
119.04930	0.5
120.08086	0.7
124.05062	11.8
124.05946	0.7
133.05109	1.6
134.03488	1.9
147.04387	0.8
148.06155	2.1
158.05957	0.6
161.04707	1.3
176.05681	100.0
176.07085	24.0
177.06454	4.7
194.06715	46.4
208.08127	0.4
217.08298	0.7
228.08835	1.0
230.10339	1.4
258.09900	1.3
276.10889	10.5
284.07748	3.1
302.08914	2.5
320.09872	2.6
338.11789	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	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.01852	2.1
55.05514	7.5
56.45230	1.1
57.03418	3.5
62.06083	97.1
65.03931	1.2
67.05496	16.8
69.03419	2.7
69.07063	7.5
71.04990	1.2
71.08250	2.2
71.08620	29.5
79.05482	17.0
81.03412	3.9
81.07047	19.3
83.04974	3.7
83.08607	4.6
85.06508	1.7
91.05467	9.1
93.07037	19.1
95.04954	3.3
95.08590	16.6
97.06514	3.5
97.10152	3.7
98.06037	3.8
99.04458	1.8
99.08080	18.3
105.07018	8.6
107.04942	2.7
107.08583	9.6
109.06480	1.1
109.10124	5.6
111.08096	1.6
113.05944	1.4
117.03371	1.1
117.07012	2.7
119.08561	7.1
121.06504	1.9
121.10109	6.1
123.08076	1.4
125.09659	1.3
131.08508	1.8
133.10068	5.6
135.04401	1.7
135.07997	2.7
135.11684	6.3
142.12244	1.1
145.02859	3.6
145.10127	4.1
147.08040	1.5
147.11684	3.0
149.13249	1.5
151.11151	8.1
154.44879	1.1
159.08063	2.9
159.11707	1.6
161.13271	5.4
163.11195	2.3
170.49193	1.0
172.65472	1.0
177.05438	5.4
179.14323	8.6
222.18520	17.0
229.26350	1.4
231.20935	1.2
240.19566	30.1
241.19650	3.4
241.70462	1.1
259.20520	4.0
277.21683	7.1
277.24179	1.3
289.17877	2.2
320.25812	100.0
321.23666	1.6
321.26184	4.8
328.77078	1.2
338.26852	18.2
339.15692	1.3
339.27274	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	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51616	2.7
71.02134	6.1
71.02491	5.2
73.23639	2.9
73.31424	2.9
96.32902	3.1
100.92538	2.9
102.68272	3.4
104.48067	2.7
133.03473	3.3
141.36479	3.1
145.03499	4.5
146.50653	3.2
175.54193	3.3
337.08875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	11.8
69.46787	15.5
69.47215	21.3
70.98119	3.6
98.97570	16.2
101.00889	10.3
103.02450	4.5
110.97562	5.0
116.98616	12.1
119.01905	16.7
121.01666	4.1
127.02370	6.4
128.98615	8.8
133.03459	25.4
137.02950	4.2
143.01910	4.4
145.03430	15.6
146.99686	5.4
151.04536	7.5
155.01820	6.1
157.03439	13.2
161.02956	5.8
169.03252	4.4
174.99103	4.7
175.04448	24.4
185.03014	7.7
187.02664	4.8
187.04501	12.6
188.97101	5.5
191.02118	5.0
193.00157	6.2
199.04443	7.8
201.05998	5.5
205.03702	5.4
211.04549	12.1
211.06569	4.8
217.05586	6.5
219.01688	4.8
230.98155	4.0
244.99704	4.8
247.06686	9.1
249.08331	4.9
263.00742	4.7
275.60565	4.3
277.07758	18.0
295.08768	39.1
332.46365	4.3
337.08963	100.0
338.09506	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	337.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	14.7
57.00803	8.7
57.07039	10.0
67.05483	32.2
69.07059	35.3
69.31522	100.0
71.04981	30.2
78.42075	10.3
79.05473	22.2
81.07048	61.5
91.05477	24.6
93.07037	31.3
95.04958	14.7
95.08588	68.5
98.06357	10.2
105.06995	49.0
107.08581	30.5
109.10123	21.9
117.06944	11.7
119.08568	68.2
121.10120	36.4
123.11647	51.2
131.08531	30.9
133.10104	29.4
135.07996	14.4
135.11714	13.4
143.08575	21.8
145.10092	35.6
147.11691	14.5
155.08545	12.3
157.10110	53.1
159.11688	24.6
161.09605	18.8
169.10164	16.7
171.11652	30.4
173.13280	12.0
181.10127	15.8
183.11679	23.8
185.13260	10.7
197.13264	29.1
209.13060	11.6
215.14268	12.2
239.18105	14.5
337.24728	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03930	3.1
53.05293	0.9
54.08995	0.9
55.01864	2.0
55.05506	37.4
57.03434	25.9
57.07072	5.7
59.05926	0.8
65.03928	3.3
67.05497	84.6
69.07061	52.3
69.07395	0.9
70.07404	1.0
71.04980	2.0
71.08620	3.2
78.62593	0.7
79.05486	23.3
81.07047	78.1
82.07384	1.5
83.04958	2.9
83.08611	26.9
85.06527	2.2
85.10171	2.5
91.05469	14.5
93.06445	1.1
93.07036	21.1
95.04941	2.7
95.08596	61.7
96.08913	1.7
97.06505	5.8
97.10159	12.1
99.08063	2.3
105.07018	10.7
107.08588	12.1
109.06487	1.0
109.10149	21.6
111.08047	1.9
111.11684	3.0
119.08575	8.0
121.10136	8.3
123.08058	1.3
123.11698	10.5
125.09624	1.3
133.10118	9.0
135.11694	5.1
137.13211	4.2
139.11090	1.1
147.11679	6.1
149.13248	3.2
151.14832	1.4
153.12733	1.1
161.13203	4.6
163.14796	3.3
173.13429	0.8
175.14803	3.3
177.16374	1.1
178.98991	0.9
179.65445	0.8
189.16315	1.5
245.22636	2.1
263.23688	3.2
284.98428	0.9
337.27322	100.0
338.27795	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.3
55.05506	12.4
57.03423	17.9
65.03930	1.7
67.05148	3.4
67.05495	59.5
69.07053	12.8
70.04789	8.8
71.76121	1.5
79.05482	35.6
81.07045	62.5
83.08590	6.5
91.05467	17.3
93.07031	38.4
95.04964	3.4
95.08595	51.8
97.06496	2.3
105.07053	9.9
107.08570	21.1
109.10147	22.2
111.08051	2.1
117.07021	4.4
119.08572	9.7
121.10133	16.8
123.11665	9.2
130.53859	1.5
131.08534	7.5
133.10147	8.8
135.11681	15.8
135.12671	2.8
137.13202	2.9
145.10071	5.8
147.11674	3.6
149.13223	7.7
159.11626	4.8
161.13307	3.3
163.14763	3.0
166.03827	1.7
173.13245	4.3
183.69228	1.5
187.14781	3.0
190.84317	1.6
225.47292	1.7
243.21078	6.3
243.44246	1.8
261.22070	11.8
261.39352	1.7
279.02927	1.6
335.25772	100.0
336.26160	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	337.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	100.0
70.19935	8.4
70.97755	3.2
70.98109	41.8
71.95243	5.0
72.96032	2.8
74.97572	2.7
84.96002	9.1
85.02888	2.1
88.99153	22.3
94.29346	2.0
97.02867	3.2
98.20782	2.5
98.97564	76.5
101.18910	1.8
107.00156	4.9
110.97553	30.5
112.99081	4.8
115.00662	2.6
116.98606	43.7
119.01861	2.3
124.95461	12.5
128.98586	41.6
131.00145	6.2
133.01688	3.4
134.99632	18.1
136.06155	2.5
140.98558	6.6
142.96503	14.3
143.00174	3.2
144.98058	2.9
145.01727	3.6
146.99631	52.6
149.01205	3.4
152.94981	3.2
155.92474	2.0
156.98039	4.7
158.99635	10.9
160.97523	7.0
161.01138	2.5
162.99127	2.3
165.00677	29.6
170.01097	2.9
170.95969	13.0
170.99625	7.0
172.97520	4.8
173.01321	3.2
174.11317	3.2
174.99104	12.0
177.00641	6.3
184.97514	10.7
186.99152	3.0
188.97047	42.1
188.98692	3.9
188.99026	3.1
189.00670	31.7
190.98622	5.7
191.02206	3.9
193.00150	11.6
202.98608	25.4
205.00122	18.4
206.98099	26.1
207.01729	26.8
212.97060	7.5
214.98643	2.4
217.00107	12.0
219.01828	3.3
220.99654	18.6
223.01135	11.0
224.99184	3.2
226.42998	2.1
230.98093	51.4
232.03082	2.3
232.99626	4.9
235.01244	15.8
237.02791	5.6
237.19818	2.3
239.00801	2.1
244.99634	35.6
248.99165	24.1
249.02789	7.0
251.00801	2.1
253.02345	2.6
253.99757	2.2
263.00708	98.8
264.01172	2.6
265.36142	2.5
267.03903	4.3
277.02313	39.1
281.01791	20.4
286.02179	5.1
295.03458	15.1
295.06683	4.3
305.01666	7.5
337.04211	3.3
337.07986	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	4.6
55.05503	22.1
57.03217	2.1
57.03430	26.0
62.63311	2.5
64.85223	3.0
67.05495	100.0
69.07055	26.5
70.90411	8.0
79.05101	3.0
79.05486	45.7
81.07047	88.2
83.04982	3.5
83.08588	7.5
85.06518	3.5
87.78356	2.5
91.05466	19.4
93.07037	46.9
95.04936	5.3
95.08026	3.7
95.08599	67.9
97.06511	5.8
97.10133	3.6
105.07012	15.6
107.08578	19.4
109.06506	4.7
109.10152	26.8
117.06992	4.3
119.08557	11.1
121.10093	17.9
123.11655	9.7
123.92248	2.4
127.53234	2.4
131.08525	10.2
133.10103	8.2
135.11691	13.3
137.13219	3.9
145.10127	7.5
147.11681	5.4
149.13219	7.0
159.11566	3.0
161.13228	4.4
163.14772	3.2
181.25246	2.4
261.22192	5.1
335.25800	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05499	24.1
57.03437	21.9
65.03925	6.4
67.05145	7.0
67.05494	100.0
69.07066	19.6
70.14075	3.6
71.02473	3.5
71.31224	7.9
79.05482	45.5
81.07043	84.9
83.08612	8.7
85.06541	3.2
91.05470	20.3
93.07025	54.8
95.04984	3.9
95.08595	67.3
97.10160	3.6
105.07018	13.0
107.08584	21.4
109.10150	28.8
109.34073	3.2
117.07007	5.1
119.08569	8.2
121.10119	22.7
123.11650	9.3
131.08513	7.6
133.10121	7.5
135.11665	15.4
145.10115	3.9
149.13206	4.1
159.11757	4.4
161.13167	4.8
173.13245	4.1
259.82471	3.5
261.22122	10.2
335.25769	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.07218	1.1
53.03927	3.0
53.88207	1.0
55.01857	2.3
55.05274	1.6
55.05509	19.4
57.03166	1.5
57.03431	25.8
57.07071	2.9
65.03930	2.8
66.77574	1.0
66.92551	1.0
67.05495	100.0
69.06703	1.1
69.07061	21.3
69.56516	8.7
69.98578	1.1
71.04964	2.1
77.03910	1.2
79.05022	2.6
79.05484	48.0
81.07044	83.4
83.04978	2.3
83.08611	7.9
85.06500	1.7
91.05473	26.2
93.07033	50.3
95.04966	3.9
95.08593	71.4
97.06514	4.6
97.10159	1.7
99.08082	1.2
105.07017	15.1
107.08578	29.4
109.06498	2.4
109.10137	24.9
117.06988	3.3
119.08556	13.5
121.10120	22.1
123.11685	10.2
129.05487	1.3
131.08545	11.9
133.10103	8.6
135.08107	1.3
135.11661	17.1
137.13252	3.1
145.10098	9.2
147.11676	7.5
149.13231	6.9
159.11627	6.7
161.13245	5.5
163.14792	4.1
173.13303	5.9
175.14824	3.1
177.16478	1.3
187.14812	3.5
238.16112	1.2
243.21054	5.7
261.22153	7.7
317.24786	2.6
335.25772	95.6
336.26324	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	5.5
55.05507	25.0
57.03432	27.6
57.07049	3.0
59.05782	1.2
65.03937	2.7
67.05495	100.0
69.07062	25.8
69.40187	7.1
69.40616	7.0
71.04979	2.1
79.05029	2.6
79.05485	49.1
81.03379	2.1
81.07049	85.5
82.07349	1.4
83.04977	1.8
83.08626	9.7
84.52345	1.2
85.06510	1.8
91.05470	25.3
93.07035	47.8
95.04957	7.5
95.08594	63.9
95.09212	3.1
96.08941	2.0
97.06548	1.9
97.10146	2.5
98.21492	2.6
98.98454	1.8
105.07014	17.1
107.08583	22.9
109.10145	20.6
117.07002	3.5
119.08561	10.5
121.10129	17.7
123.08034	2.1
123.11694	4.9
131.08553	7.9
133.10126	8.0
135.11681	9.8
137.09625	1.9
137.13191	1.8
145.10100	4.1
147.11638	5.1
149.13251	3.8
159.11699	4.1
161.13295	3.3
163.14807	2.4
173.13255	3.8
175.14725	1.2
261.22092	3.0
335.25763	91.2
336.26175	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.39151	1.0
53.03951	3.5
55.01875	3.2
55.05502	20.9
57.03425	25.0
57.07075	3.8
60.04517	1.2
63.47326	1.2
64.38496	1.3
65.03932	3.9
67.05495	93.6
68.73488	1.2
69.07057	20.8
69.60809	4.1
69.61238	5.8
70.86636	1.3
71.04990	4.2
74.34339	1.2
79.05023	2.9
79.05484	55.1
80.05815	1.4
81.03381	2.1
81.07043	100.0
83.04983	3.6
83.08611	11.1
85.06556	3.3
91.05466	31.0
93.07030	66.8
94.07359	1.4
95.04950	7.9
95.08592	81.5
96.08951	1.4
97.06532	4.7
97.10173	2.4
98.21448	1.5
99.08101	2.1
105.07010	24.6
107.08578	41.8
109.06523	4.9
109.10145	36.1
109.10854	2.2
111.08144	2.0
111.11713	1.2
113.09670	2.4
117.06998	10.9
119.08568	23.4
119.09400	1.5
121.06538	1.5
121.10133	30.2
122.10458	1.5
123.08150	2.6
123.11697	11.2
125.09612	1.5
129.05481	4.1
129.07021	2.0
131.08545	21.3
133.10112	19.9
133.11012	1.6
135.08096	2.8
135.11679	17.0
137.09650	2.2
137.13298	4.6
141.07004	2.2
143.08545	2.6
144.09372	1.1
145.10104	15.2
147.11682	9.7
149.09645	2.6
149.11427	1.4
149.13243	11.6
151.14844	1.4
155.07060	3.8
157.10158	3.4
159.11693	11.7
161.13229	8.4
163.11189	1.8
163.14798	9.2
169.10233	1.2
170.10774	1.7
171.11736	4.4
173.13225	11.3
175.14919	4.3
177.12714	2.0
181.10152	1.9
183.11699	1.7
185.13300	1.8
187.14905	4.5
189.16336	1.9
197.13223	1.5
201.16423	1.5
209.13397	2.9
211.15041	2.1
217.19632	2.7
233.22743	2.3
235.14893	1.3
243.21034	20.3
245.22678	1.6
261.22086	17.8
276.20328	2.1
277.21945	1.7
279.23441	2.7
317.24835	8.7
335.25928	89.6
336.26230	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	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01647	0.8
55.01869	8.2
57.53990	0.8
65.03915	0.8
67.05490	1.3
69.03410	1.4
69.07047	1.0
70.06581	1.7
71.15627	2.0
73.02895	1.2
73.33033	0.6
79.05452	1.1
81.03403	1.6
81.07058	1.1
84.08138	1.2
85.06526	0.7
91.05450	1.5
93.07020	1.4
94.06520	0.9
95.04990	1.2
95.08605	1.2
96.08085	0.7
97.02868	0.6
97.06538	0.8
105.07035	0.8
105.50299	0.7
107.04931	1.7
108.04457	0.7
108.08081	0.9
109.02874	1.0
109.06580	0.8
110.57078	0.6
115.05424	0.8
117.07050	0.8
119.08574	0.8
120.04421	1.0
120.08118	0.9
122.06026	1.5
123.04385	1.0
124.07528	1.0
135.04420	1.0
136.07571	1.8
137.05914	0.8
139.07547	1.5
140.07092	0.9
145.02872	1.9
146.06059	0.9
149.05975	0.8
150.05508	1.7
153.01793	2.9
153.05431	1.0
155.08521	0.8
156.08028	1.6
157.76553	0.7
160.07552	0.7
161.05975	1.7
162.05560	0.7
164.03389	0.7
164.07007	1.0
167.07248	1.0
168.06612	1.8
169.10136	0.7
173.05809	1.2
173.10721	1.2
174.09125	1.0
177.05473	2.8
178.08600	2.3
180.08003	1.0
182.08284	1.3
182.09688	1.3
183.09184	0.8
184.07657	0.9
185.08365	0.7
186.07817	1.4
186.09244	1.0
188.07022	1.8
189.07219	0.7
194.08241	0.9
197.10825	1.0
198.09140	2.2
199.08640	2.7
199.12363	1.0
200.07210	1.0
200.10759	2.1
201.05240	1.2
201.10361	5.1
203.03300	1.4
205.04970	1.0
212.07024	1.0
213.10219	2.1
215.08104	2.2
215.11687	1.0
216.08743	1.4
217.09712	2.6
225.10132	2.1
226.08604	1.9
227.08156	3.0
227.11734	3.3
228.06540	1.4
228.10437	4.5
229.04974	3.0
229.09717	6.3
230.08232	1.1
241.04837	1.2
243.07535	2.0
243.11404	4.8
244.08307	1.1
245.09161	2.7
247.10760	1.1
253.09659	3.0
254.08092	2.5
255.11246	4.6
257.04385	2.5
257.09174	12.7
258.09912	1.6
261.08707	0.9
271.06384	1.1
271.10745	16.6
272.08817	1.1
272.11624	0.9
281.09027	2.1
285.03864	2.5
287.10245	2.8
288.11038	0.9
289.11926	8.4
299.10245	21.0
307.12866	2.0
317.06644	12.7
317.11276	100.0
318.11530	2.6
335.12323	15.1
335.16312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.4
58.67407	1.8
67.05500	3.6
69.07056	4.9
69.24184	5.9
69.24597	16.1
79.05490	8.8
85.02895	2.6
95.04948	4.5
97.06518	64.5
99.56597	1.8
103.05450	6.0
105.03416	2.3
105.07011	3.3
117.06986	2.4
121.06564	1.9
123.04413	69.1
124.04744	2.2
129.06999	4.8
130.06795	1.9
131.04921	5.6
133.06512	2.9
141.07004	6.9
143.08582	2.9
144.05745	1.9
145.02853	2.9
145.06456	8.0
145.07533	2.1
145.10124	3.1
145.52736	1.9
147.04442	3.1
149.05952	4.2
152.06241	3.0
153.07019	8.6
154.07744	3.0
155.08508	13.3
157.10118	1.8
159.04404	2.4
159.08067	7.5
160.05139	2.4
161.05968	3.5
163.03806	2.6
165.06987	10.7
166.07762	7.7
167.08545	4.2
168.05725	3.9
169.06499	7.4
169.10098	4.8
171.08112	3.9
173.05995	8.1
173.09608	4.9
175.03862	5.2
175.07526	4.0
177.05444	15.8
178.07707	4.3
179.08525	20.3
181.06483	6.2
181.10062	9.6
182.07181	4.0
183.08000	15.3
184.05003	2.0
185.06015	3.1
185.09601	7.8
186.06731	2.9
187.03906	8.3
187.07503	25.7
188.08310	1.9
189.05437	2.5
189.06982	3.6
190.07976	1.8
191.08528	4.5
193.04971	6.6
193.06531	3.0
194.07199	9.9
195.08026	6.8
197.05951	8.6
197.09618	12.7
199.07523	7.9
199.11119	3.5
201.09082	91.2
202.09351	3.8
203.03371	5.4
203.06953	2.4
207.08064	15.9
208.08900	2.7
209.09599	32.0
210.06761	9.8
211.07512	23.8
212.08228	3.5
213.05605	3.1
213.07536	6.6
213.09273	3.9
214.06216	1.9
215.10733	2.4
217.08571	2.8
219.08035	4.7
219.10168	4.6
221.04416	5.4
225.05455	6.3
225.09074	100.0
226.06178	2.5
226.09427	3.3
227.07056	4.0
227.10732	5.6
229.08572	38.4
231.02867	8.0
233.04582	2.2
235.07529	11.0
237.09077	20.7
238.06291	3.5
239.06984	7.0
243.10161	6.9
245.08043	3.5
245.11711	8.0
253.08556	54.2
254.09285	19.2
255.06540	1.8
255.10161	9.3
257.04401	2.4
257.08072	6.7
263.06812	2.1
271.09610	51.1
273.07590	17.1
273.10953	4.2
275.08884	4.6
281.08035	31.7
289.10641	28.9
289.44678	2.0
291.08627	5.5
299.09113	46.7
300.09448	2.2
317.10208	22.9
335.11304	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	335.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36868	1.6
55.01863	1.9
55.14316	1.3
67.05499	2.4
69.07056	3.0
70.55451	4.6
79.05474	3.2
81.07063	1.6
83.04948	2.3
85.02892	2.1
91.05485	1.7
95.04984	2.3
95.08625	1.6
95.91566	1.7
97.06533	7.6
98.21361	2.1
103.05478	2.9
105.07027	3.7
107.04889	1.6
115.05473	3.0
116.97172	1.9
117.07025	2.3
123.04417	61.3
123.08100	2.4
128.06276	1.9
129.07002	3.0
131.04930	4.6
133.06537	1.9
141.06978	6.6
143.08582	2.1
145.06461	7.4
145.10141	2.6
147.04381	2.5
149.06059	2.1
152.06210	4.0
152.52515	1.9
153.06952	5.2
153.20038	1.6
154.07773	4.5
155.08513	12.8
157.06465	3.5
159.04437	4.1
159.08090	6.1
160.05220	3.5
161.05925	2.9
165.06993	9.7
166.07774	6.3
167.08517	3.9
168.05678	3.4
169.06476	4.1
169.10091	6.8
171.08044	1.9
173.05934	13.4
173.09631	6.7
175.03957	2.7
175.07533	5.3
177.05475	5.9
178.07869	3.8
179.07013	3.0
179.08502	17.7
181.06499	6.3
181.10138	8.8
182.07228	4.0
183.08060	15.5
184.05222	4.2
185.05963	3.9
185.09633	7.3
186.06761	3.4
187.07518	30.1
188.08261	3.5
189.05516	3.7
191.08534	6.6
193.04932	3.5
193.06500	3.0
194.07303	9.4
195.08099	5.0
197.06024	10.5
197.09593	13.3
198.06708	3.2
199.07529	12.7
199.11198	1.9
200.04686	3.8
201.05359	4.0
201.09087	94.3
202.09412	3.6
203.03442	2.0
205.04897	1.9
207.08035	17.5
208.08841	3.3
209.09605	33.5
210.06746	9.8
211.07520	30.1
212.08249	4.5
213.05614	3.0
213.07532	4.0
213.09158	7.2
214.06342	1.7
215.07033	3.2
215.10626	1.9
219.08092	2.4
219.10078	3.4
220.45146	1.6
221.04393	4.1
225.05885	7.5
225.09074	100.0
226.06137	2.5
226.09531	4.5
227.07001	9.1
227.10667	6.5
229.08565	42.4
235.07510	7.8
236.08244	2.6
237.05447	2.3
237.09120	21.5
238.06218	3.6
239.07016	7.5
243.10185	9.0
245.08102	4.6
245.11737	4.1
253.08577	63.0
254.09361	17.8
255.06491	5.0
255.10175	10.7
257.08066	8.0
263.06958	2.3
271.09616	47.4
271.12518	3.0
273.07553	20.4
273.10675	2.8
281.08063	38.7
289.10629	22.0
291.08640	17.1
299.09125	48.3
317.10211	15.6
335.11276	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	335.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03405	2.2
62.90930	1.8
67.05480	2.4
68.99784	2.5
69.03401	2.8
69.07047	3.1
70.92403	5.9
79.05495	5.1
81.07039	2.4
85.02872	2.1
88.27745	1.9
91.05479	3.2
95.04948	4.5
97.06501	6.0
99.38429	1.9
103.05412	2.1
105.07041	3.0
109.02851	2.9
117.07002	3.0
119.08568	2.0
123.04418	61.5
128.06198	2.4
129.06947	3.6
131.04886	3.4
131.08516	4.0
133.06479	2.8
141.06993	4.8
142.07697	2.4
145.06490	9.9
145.10103	2.2
147.04393	5.0
149.05981	2.5
152.06184	5.4
153.06970	7.8
154.07710	3.1
155.08542	10.4
157.06493	5.2
159.04399	3.9
159.08029	6.6
160.05142	7.1
161.05988	5.9
165.07019	12.9
165.79115	2.0
166.07785	6.6
167.08527	6.9
168.05682	4.1
169.06430	3.8
169.10091	8.6
171.08026	3.7
173.05933	23.6
173.09592	4.7
175.03932	2.0
175.07527	11.3
176.04710	1.9
177.05428	4.6
178.07785	4.1
179.08495	20.5
181.06436	7.5
181.10025	11.3
183.08022	18.5
185.05919	4.5
185.09631	6.6
186.06660	3.0
187.07506	22.1
188.08296	22.8
189.05426	5.1
191.03246	2.4
191.08554	4.9
193.04964	3.6
193.06532	2.8
193.93550	2.2
194.07193	9.8
195.08018	8.6
197.05957	7.5
197.09628	11.5
198.06775	3.8
199.07533	10.7
199.11032	2.7
200.04648	4.6
201.09071	74.3
201.11923	2.8
202.09496	3.2
203.03316	3.2
203.07007	3.7
207.08052	18.5
209.09558	24.8
210.06702	14.0
211.07524	34.7
212.08232	6.8
213.05449	4.9
213.07298	3.6
213.09224	11.1
214.06297	4.1
215.07071	5.1
215.10695	4.1
216.03912	2.1
217.08568	5.0
225.05452	5.4
225.09074	100.0
226.06157	3.3
226.09528	3.6
227.06976	8.4
227.10626	9.6
228.07571	2.3
229.05049	3.4
229.08578	51.2
230.08897	2.3
233.04442	3.5
235.07491	11.9
237.09172	12.6
238.06099	3.6
239.07004	5.6
241.08557	2.3
243.10062	11.8
245.08069	7.6
245.11601	3.5
253.08551	48.0
254.09149	9.9
255.06453	7.2
255.10132	8.1
257.04553	2.2
257.08044	11.6
263.07050	3.1
271.09607	44.3
273.07538	22.1
273.11121	6.0
275.09161	4.2
281.08072	29.5
289.10645	20.5
291.08661	17.4
299.09137	39.8
317.10059	14.8
335.03934	5.8
335.11386	20.1
345.82266	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1117
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03930	2.0
55.01860	4.6
55.05494	2.7
60.66697	0.8
65.03909	0.9
67.05486	2.6
68.30843	0.8
68.56882	0.7
69.03392	1.1
69.07063	11.0
71.04947	0.7
78.04705	1.5
79.05484	16.2
80.06268	1.4
81.03402	6.3
81.07043	11.5
83.04950	3.3
91.05451	3.4
93.03367	2.6
93.06988	0.8
95.04953	5.7
96.05729	1.8
97.06518	9.4
103.05440	2.7
104.06245	1.9
105.03375	1.6
105.07003	2.2
106.04171	1.0
107.04961	1.8
114.95901	0.8
115.05424	2.8
117.06982	1.8
119.04929	1.6
121.02808	0.9
121.06496	0.9
123.04418	7.7
129.06989	2.2
131.04919	10.5
132.05710	5.2
133.06456	1.3
134.03612	3.9
135.04393	3.0
141.06937	1.2
141.48112	0.8
142.07809	1.1
145.02840	1.0
145.06458	9.0
145.10104	1.4
146.03667	1.2
147.04373	9.1
151.03957	4.5
155.08533	2.2
157.06445	2.9
157.10172	0.9
159.04376	4.8
159.08035	4.4
160.05161	8.9
161.02261	1.0
161.05930	4.7
161.09479	1.1
163.03906	9.6
165.07034	1.3
173.05936	4.1
173.09605	3.4
175.03851	5.8
176.04616	1.3
177.05455	10.9
185.05905	1.7
186.06628	0.9
187.03853	2.8
187.07492	1.0
189.05449	32.9
190.06158	1.1
191.03395	4.3
195.22931	0.9
197.09528	1.8
198.06711	0.9
201.05550	1.3
201.09090	27.8
202.06276	2.6
202.09869	21.5
203.07005	34.3
203.10620	14.3
205.04973	1.9
207.02901	1.6
209.09570	1.8
217.08606	0.9
219.02846	2.3
221.04417	3.1
225.09056	2.9
227.10628	3.1
229.08630	4.1
231.02785	1.1
231.06538	5.3
231.10110	13.7
233.04428	3.0
243.10181	1.9
245.11696	48.5
246.12065	1.1
253.08521	1.7
255.10150	13.4
267.04965	5.0
271.09607	11.5
273.07550	0.8
273.11264	4.7
275.05753	1.6
275.09103	24.6
281.07983	3.0
289.10626	11.5
293.06467	5.0
299.09152	15.1
317.10135	10.6
335.11209	100.0
336.11563	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	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47514	0.4
55.05512	0.6
56.05005	0.4
57.06815	0.4
57.07070	5.6
58.06599	2.0
59.86659	0.4
62.54738	0.4
67.05512	0.4
68.05034	0.5
69.07068	0.5
70.06586	19.8
70.16609	1.9
71.08605	1.7
72.08157	2.2
78.21136	0.4
79.05473	0.5
81.07040	0.5
84.07705	0.4
84.08134	2.3
85.10167	1.0
86.09700	3.5
88.07626	6.0
89.06031	0.6
97.06512	1.5
98.20756	0.5
102.09183	2.6
105.93475	0.4
106.38004	0.4
108.32204	0.4
118.08630	0.5
132.10196	9.0
146.11732	8.3
163.23157	0.4
184.20569	2.5
201.08972	0.8
210.22151	1.5
211.07564	0.5
228.23195	10.4
272.25806	38.3
273.26187	2.2
316.28381	0.7
334.29480	100.0
335.29837	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	335.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	73.5
57.03415	1.8
61.02898	1.7
61.66063	1.0
69.03413	1.7
70.06545	1.2
70.71936	3.1
70.72313	1.8
70.97751	2.0
70.98110	30.3
74.97591	3.3
81.03368	1.9
84.08118	1.2
84.96013	2.9
85.02872	3.2
85.57860	1.1
88.99146	19.2
97.02885	1.9
98.96960	2.0
98.97559	23.1
100.99077	1.1
101.00875	1.1
106.67765	1.0
107.00187	6.4
107.04964	1.2
108.08080	2.5
109.02779	1.1
109.08413	1.2
110.97556	2.9
115.02448	1.3
116.98606	17.2
119.01864	4.1
127.15499	1.0
128.98587	11.6
131.00142	1.4
131.01866	2.8
133.01669	1.6
133.03450	2.3
134.99600	7.6
137.05937	1.9
141.82961	1.1
143.00125	1.8
143.01855	1.2
145.01649	1.6
145.03406	1.6
146.99626	34.7
149.01172	1.6
152.05646	1.5
154.96416	6.0
155.07809	1.0
157.03299	1.7
158.99625	2.6
161.01219	2.0
161.02975	1.7
162.99121	1.4
163.02647	1.3
165.00694	33.8
170.01187	1.5
172.97545	37.8
173.01158	1.7
173.03001	2.0
175.02744	1.9
175.04410	1.5
177.00713	4.1
183.01761	5.2
185.02905	2.3
186.99191	2.6
189.00671	1.7
189.02330	1.3
190.98602	100.0
191.02196	7.9
191.05826	2.1
191.98994	1.6
195.05061	1.2
195.99086	1.5
200.96994	3.1
203.02274	1.4
203.04007	1.9
205.00169	24.5
208.99684	18.6
209.03206	2.6
214.00145	2.6
214.98512	6.2
215.03975	1.4
217.05345	1.5
218.98109	19.5
219.01711	3.4
223.01221	23.3
228.01759	1.5
232.99648	61.9
233.99670	1.9
235.06583	1.6
236.99176	8.9
237.02808	4.7
237.06055	1.3
241.99615	1.2
247.01163	4.9
251.00711	34.4
253.07724	2.4
256.01239	2.9
265.02234	3.2
269.01791	2.3
269.05304	1.3
270.05630	1.4
274.02280	1.6
275.00717	17.4
275.06216	1.2
293.01743	26.2
295.08679	1.6
303.94525	1.1
311.02802	2.1
311.06369	2.1
312.06842	4.3
315.82837	1.2
316.03311	1.1
335.07904	2.0
335.13983	3.0
353.08627	1.3
354.35745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.05505	26.7
56.05013	9.8
56.96556	5.4
57.03421	10.0
57.07060	7.5
58.06578	7.9
60.04521	24.3
62.06052	3.7
65.03905	4.7
67.05497	55.4
68.05010	4.2
69.07065	19.8
70.06574	17.2
70.07432	3.1
71.04980	5.7
71.21319	3.2
71.66045	7.0
74.06055	3.8
75.90161	3.1
79.05492	48.0
81.06609	5.2
81.07049	56.5
82.06541	4.6
82.65796	3.2
83.08612	9.5
84.08120	5.3
85.06507	4.8
85.95837	3.1
86.06024	5.2
88.07625	32.5
91.05465	39.5
93.07037	41.5
93.42594	3.3
94.06561	11.3
95.04935	7.7
95.08583	37.3
96.04499	4.1
97.06520	14.4
97.10156	8.9
100.07535	4.2
104.07071	3.7
105.07023	50.0
107.04915	5.8
107.07384	3.4
107.08571	31.3
108.08080	6.6
109.10146	17.9
110.06023	7.2
117.06999	14.4
119.08572	35.6
120.08123	4.7
120.08929	3.6
121.10093	17.5
131.08556	18.0
132.10184	11.0
132.29173	3.1
133.10115	27.4
134.09599	5.3
135.11678	8.3
143.08501	5.8
145.10115	13.4
147.11687	11.1
149.09637	6.9
149.13354	5.7
154.12257	10.9
157.10106	6.4
159.11674	9.2
161.13269	7.6
162.12711	6.6
163.11259	5.3
169.10121	3.9
172.13214	5.2
173.13307	7.5
180.13795	5.0
187.14851	4.3
208.13353	27.7
210.14941	3.7
226.14377	10.2
238.17940	3.8
240.15839	3.5
242.24796	31.8
247.87006	3.5
257.18860	4.2
258.19168	3.4
259.77975	3.5
274.21680	13.6
275.19965	48.2
276.19919	3.8
286.27386	10.4
292.22641	45.0
306.24078	3.7
316.16089	3.7
316.22592	12.5
316.28488	6.9
317.06519	4.3
333.76126	8.4
334.20526	72.6
334.23782	100.0
334.29462	94.8
334.35803	3.6
335.21683	14.2
335.25507	12.7
335.29599	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	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69433	1.5
53.03942	2.4
55.01859	6.1
55.05497	7.4
57.03402	4.0
60.04509	2.4
61.02936	2.2
65.32129	1.6
67.38043	1.5
69.03422	8.9
69.07058	1.9
70.06561	3.9
70.92158	3.1
70.92522	3.5
71.04976	2.4
79.05474	4.8
81.03407	4.0
81.07049	18.1
82.56255	1.5
83.04976	1.8
83.08604	7.2
84.10078	1.6
85.02895	20.5
85.06518	3.8
91.03907	1.6
91.05495	3.4
95.04969	2.4
97.02873	7.4
97.06503	2.4
98.06042	1.9
98.09664	4.6
98.98447	2.2
99.04440	2.8
99.08089	2.6
108.08090	5.3
109.02863	2.4
109.06501	20.6
111.04411	1.7
123.20573	1.5
126.05471	2.2
126.09130	50.2
127.03931	4.5
127.07536	18.9
137.05977	4.1
145.02844	1.7
145.04907	3.0
153.01788	8.7
154.08612	65.9
155.06995	39.1
155.08167	3.2
163.03833	2.2
172.09662	100.0
174.88483	1.9
177.05515	2.3
179.03424	2.1
187.06024	6.8
201.70343	1.7
203.03357	2.1
205.04915	3.9
208.87622	1.7
211.03860	2.0
228.04036	1.7
229.04948	13.5
257.04379	9.8
271.06107	2.4
285.03867	9.4
289.07080	2.2
289.11838	2.2
317.06516	42.7
317.10648	2.5
335.12369	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	333.2783
Annotation	Trixagol acetate
Peak:m/z	Relative Intensity
55.05508	21.5
57.07052	9.3
67.05499	26.9
69.07059	42.1
71.59457	6.5
71.59811	5.9
79.05500	10.2
80.56311	4.5
81.07052	37.5
83.08590	18.2
84.52662	4.4
91.05458	12.9
93.07041	27.5
95.08595	100.0
97.10140	7.0
98.98429	19.5
105.07015	14.6
107.08577	51.1
109.10148	68.1
111.11708	10.6
119.08527	10.2
121.10119	42.5
123.08017	4.6
123.11697	31.2
129.11154	5.0
133.10101	12.6
135.11697	27.9
137.13229	18.4
149.13231	23.4
151.14793	7.8
153.09032	6.7
161.13208	5.2
163.14790	25.5
167.10622	7.5
170.99525	4.4
177.16368	11.8
189.16388	5.8
195.13872	6.6
205.19452	9.4
209.15353	5.5
237.18472	7.9
263.19955	8.2
273.25742	21.4
315.26892	5.9
333.08850	6.7
333.24280	7.4
333.27832	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
56.96306	1.6
56.96561	25.1
57.03425	2.6
61.02908	4.2
61.12919	1.0
69.03426	7.1
70.98106	2.2
71.95251	1.1
73.02898	1.3
73.73215	1.0
78.71268	1.0
81.03406	2.4
82.06587	1.2
84.96038	11.1
85.02891	7.5
87.04451	2.8
94.06542	3.5
97.02882	5.2
97.96807	3.1
98.21492	1.7
98.97572	49.3
100.07592	4.3
101.00871	4.1
102.96964	1.6
108.08103	7.3
109.02842	1.7
109.08414	2.6
110.97536	4.1
112.99161	1.2
115.02406	1.6
115.03923	1.3
115.97877	1.3
116.98612	32.0
119.01909	13.5
120.01995	1.2
124.99123	3.0
127.02389	1.8
127.03939	1.3
128.98589	5.2
131.00139	6.1
131.01888	4.8
132.01985	1.3
133.03444	2.4
134.99646	17.0
136.07536	2.0
137.02988	2.0
138.05450	1.1
140.00224	1.1
140.98576	1.6
141.99399	1.1
143.00156	12.9
143.01846	5.1
144.98059	2.3
145.01653	1.9
145.03448	9.3
146.99603	3.7
149.01189	2.4
149.02974	1.9
152.07050	4.1
153.00626	1.8
153.07349	2.0
154.07588	1.0
155.00111	2.2
155.01881	4.4
156.02664	1.3
157.01682	3.8
157.03429	5.3
157.25830	1.0
158.01224	1.5
158.99599	4.4
160.00365	1.4
161.01245	10.0
161.02910	9.0
161.25783	1.1
165.00592	1.3
167.01976	2.3
171.54333	1.1
172.04460	1.4
173.01227	6.8
173.02936	4.5
174.99034	1.7
175.02808	3.8
175.04512	2.6
177.00732	7.6
179.02258	1.3
182.99602	1.5
184.02046	1.1
184.04645	1.1
185.02931	10.2
189.00702	1.4
191.02303	7.1
193.00160	1.6
196.04480	2.2
201.00722	2.7
203.03964	13.7
205.00153	1.4
207.01764	1.2
213.03368	1.2
215.04048	7.0
217.05531	2.3
219.01749	4.5
221.05092	1.5
222.05260	1.5
223.01283	2.3
227.03847	1.2
228.03998	1.4
233.03316	3.8
233.05267	2.0
235.06621	4.7
237.02777	4.8
244.07022	1.4
245.05031	3.5
246.05496	1.2
247.01151	1.4
251.04398	12.9
253.02213	1.1
253.07608	9.9
263.06049	1.7
269.05429	28.0
270.05905	1.4
271.08899	1.3
275.06003	5.1
279.03894	1.2
287.06372	8.8
292.06927	1.3
293.05359	26.5
302.74741	1.1
303.05527	3.0
307.09097	1.6
311.06470	100.0
312.06955	1.6
316.12881	4.1
321.06616	2.3
329.07538	6.7
334.08017	8.2
334.13943	3.2
335.03738	1.1
335.09369	18.8
353.09076	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	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57056	0.8
51.93518	0.8
55.05504	1.0
67.05484	1.5
70.03651	4.1
79.05462	1.8
81.07047	1.8
83.08598	0.8
87.07723	0.8
91.05469	1.3
93.07005	2.1
95.08573	1.9
97.06470	1.2
98.98469	5.2
105.07015	2.3
107.08603	1.6
109.10155	0.8
117.06884	0.8
119.08556	2.0
121.10119	1.0
131.08635	0.7
133.10052	1.2
138.53336	0.9
159.11694	1.2
230.26649	0.9
242.59485	1.0
315.19348	1.1
327.75299	0.9
333.20334	100.0
334.20505	3.2
334.23972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76912	0.6
55.05492	1.1
56.79830	0.6
58.06591	1.4
67.05486	2.0
69.07047	1.0
69.32011	0.7
69.32350	7.0
72.98155	0.6
79.05462	2.9
81.07034	1.9
88.07610	0.7
91.05471	2.3
93.07026	2.1
95.04929	0.9
95.08599	1.8
97.06481	0.9
98.98450	5.4
99.86988	0.6
105.07010	3.2
107.08572	1.6
109.10170	0.7
119.08573	2.4
124.07565	0.6
131.08583	1.3
133.10149	1.9
135.11653	0.6
145.10040	1.4
147.11696	1.0
159.11641	0.9
167.07069	1.1
173.13243	1.0
176.98849	0.7
186.58504	0.7
242.24733	1.2
247.13091	2.6
248.85774	0.6
257.12466	1.0
258.81421	0.7
264.62839	0.7
275.19971	0.9
277.33884	0.7
315.19229	7.3
316.22839	1.0
333.09305	1.9
333.20319	100.0
334.20471	2.6
334.23911	4.1
334.29633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05485	2.0
69.07046	1.5
69.46395	5.6
70.06571	0.7
79.05477	2.4
81.03413	0.7
81.07040	1.8
88.07633	0.8
91.05450	2.5
93.07029	2.1
93.21001	0.5
95.04969	1.0
95.08593	1.6
98.98447	9.2
105.07008	2.2
107.08578	1.2
117.06948	0.9
119.08553	2.3
121.10113	1.2
125.09968	0.6
131.08572	0.9
131.44879	0.7
133.10123	1.8
135.07996	0.7
135.11678	0.6
145.10100	0.8
148.48579	0.7
151.03928	0.6
167.07018	0.7
176.98860	1.0
193.04904	0.8
195.09869	1.7
245.12225	0.6
271.28439	0.9
292.22845	0.8
302.24060	1.0
303.04382	0.8
315.18283	0.9
333.20319	100.0
333.31424	3.8
333.76031	0.9
334.20447	2.3
334.23761	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89129	0.6
67.05482	2.5
69.07057	1.2
69.51524	2.3
69.51951	4.2
70.61592	0.7
72.46947	0.7
79.05468	3.2
81.03394	1.1
81.07028	2.9
91.05481	3.4
93.07022	2.7
95.08571	1.9
97.06522	1.6
98.98451	7.1
105.07036	4.3
107.08568	1.3
109.02835	2.1
109.06510	0.8
119.08559	2.7
121.10133	1.6
129.07060	0.7
131.08560	0.9
133.10089	3.1
136.07507	1.2
145.10121	1.1
159.11691	1.6
160.86519	0.7
167.06995	1.1
171.11661	0.9
173.13196	1.2
180.33499	0.7
235.13049	1.5
241.19641	0.8
251.12477	1.3
259.20285	0.8
292.22391	0.8
301.19958	1.2
305.30627	0.8
311.54669	0.7
315.15628	1.0
315.23026	0.8
333.20288	100.0
334.20407	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	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21664	0.7
55.05503	1.1
57.03421	1.8
57.07079	1.0
58.17187	0.7
67.05474	3.3
69.03418	0.7
69.07055	1.5
69.29465	5.1
69.29887	2.9
79.05486	4.1
81.03431	0.8
81.07053	3.9
83.77311	0.6
88.07608	1.7
91.05468	3.6
93.07024	4.6
95.08605	1.9
97.06490	1.2
98.88285	0.7
98.98463	3.8
105.07012	6.2
107.08575	4.3
109.10136	0.7
115.05439	0.7
117.07008	2.3
119.08562	4.2
121.10133	2.0
125.09601	1.0
129.06970	1.2
131.08604	1.3
133.10104	3.2
135.08022	1.8
135.11696	1.9
145.10077	1.3
147.11685	2.7
149.13223	0.9
151.07552	1.1
159.07954	0.8
159.11694	1.5
161.13277	1.5
167.07030	1.3
171.11710	1.3
173.13245	1.7
190.66527	0.8
196.92427	0.7
241.19420	1.7
242.24683	1.0
259.20447	1.2
286.27438	0.8
315.19293	1.1
333.20343	100.0
333.24069	7.1
334.20667	2.0
334.24133	1.1
334.29346	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	333.1327
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
52.79358	0.7
53.03931	1.7
53.90657	0.7
55.01862	0.9
55.05495	1.7
63.73664	0.8
65.03925	1.1
67.05480	3.1
68.99767	1.4
69.03421	2.0
69.07037	1.5
69.92087	3.5
79.05479	6.0
81.03424	1.3
81.07065	4.3
85.02881	1.4
91.05466	7.2
93.07021	3.2
94.04185	0.9
95.04956	3.9
95.08585	1.9
97.06518	3.2
98.98453	7.5
102.08393	0.7
105.07005	3.7
107.04964	1.3
107.08571	4.4
108.05723	4.5
109.02818	1.7
109.06506	12.5
109.10149	2.0
111.08022	1.4
117.07018	1.0
119.04917	3.4
119.08544	2.2
121.06474	2.6
121.10091	1.5
123.04420	3.3
123.08076	1.1
124.05218	0.8
125.05975	7.1
125.09634	0.8
127.03927	0.8
129.06906	0.8
131.08536	1.4
133.02838	0.9
133.10092	1.8
135.04375	3.7
135.08029	2.3
135.11700	1.7
137.05957	11.9
138.03120	3.4
138.06699	1.7
139.07516	4.3
143.08498	1.0
145.10086	0.8
147.04358	3.6
149.05963	1.9
151.07489	1.5
153.05447	65.6
153.09038	4.0
154.05733	0.8
155.07004	4.6
159.07985	0.9
159.11629	1.1
161.09666	1.0
163.03865	2.4
165.05469	0.9
165.09087	2.2
166.05814	0.7
167.07018	100.0
168.07396	2.6
175.11226	0.8
176.98883	1.1
179.06993	4.4
181.08575	15.7
181.10109	1.2
193.08595	4.3
201.09071	0.9
255.94044	0.7
303.04227	1.4
333.09109	3.6
333.13300	8.1
333.19922	3.2
333.24213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.1
55.01856	1.4
55.05497	6.3
56.96559	36.0
57.03435	9.4
57.07046	2.1
60.19741	1.1
60.65475	0.9
62.75596	1.1
65.03912	2.0
66.94178	1.0
67.05492	22.2
69.07049	5.9
69.25106	7.2
69.25536	5.6
71.95243	6.5
72.96016	2.4
74.97582	2.8
79.05482	19.2
81.03385	1.7
81.07046	16.9
83.04966	1.5
83.08594	3.2
84.96007	2.9
91.05461	17.3
92.98631	1.4
93.07027	19.5
95.04932	3.0
95.08595	13.6
97.06509	1.3
97.96794	1.9
98.20753	2.3
98.98459	13.0
100.98860	1.3
105.07011	14.6
107.08566	10.9
109.06546	2.7
109.10129	4.7
110.97586	6.4
115.97776	1.2
117.06992	3.6
119.08563	12.2
121.10149	7.8
123.07986	1.4
123.11706	1.7
128.98590	17.9
129.05447	3.2
129.06990	2.3
131.00026	2.5
131.08568	6.8
133.10121	10.9
134.99628	1.2
135.08028	1.4
135.11638	4.9
137.02731	2.6
140.98412	3.7
141.02187	1.7
143.00027	2.5
143.08504	2.8
144.24426	1.3
145.10124	3.9
146.99629	22.4
147.11656	6.0
149.13249	3.4
152.00185	1.3
155.00026	2.3
155.03769	1.6
157.01552	1.1
157.10106	1.8
159.07970	1.6
159.11674	4.6
161.01260	5.4
161.13165	2.3
165.00667	4.3
167.00020	2.5
167.07021	1.4
169.01639	1.5
170.01193	2.3
171.03270	1.8
171.11626	2.7
173.13190	3.5
174.99075	2.6
175.02739	2.3
176.98903	1.4
179.02165	1.3
185.01038	2.0
185.13156	2.3
189.00525	4.5
189.04311	2.7
195.02826	1.1
203.05836	3.1
241.19495	2.0
243.09326	1.3
252.10321	1.2
259.20584	3.4
263.09494	3.7
265.11032	1.9
277.10977	1.9
285.11835	1.6
285.29709	2.1
303.12601	2.0
313.14725	2.6
315.16245	63.9
315.23087	2.3
316.16650	3.4
317.14090	1.4
331.15765	4.0
333.08789	4.3
333.13721	4.4
333.17303	100.0
333.23862	20.2
333.28076	2.7
333.31967	5.0
334.17657	2.8
351.18420	16.8
356.18872	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	333.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55861	2.7
55.01851	7.7
55.05518	3.7
57.03416	9.8
57.94427	3.2
62.84010	3.3
65.03925	3.9
67.05510	18.0
68.99775	4.1
69.03407	6.6
70.56322	3.2
71.01344	4.6
71.04961	7.3
71.59229	4.8
79.05495	8.9
81.03409	3.6
81.07049	9.2
83.04959	6.1
84.08133	5.4
85.02908	3.0
85.06539	3.8
86.09690	9.2
87.05582	3.2
91.05483	23.1
93.07014	3.5
94.06578	4.1
95.04930	18.9
95.08592	5.7
97.02904	5.1
97.06520	12.7
98.16297	3.4
98.98477	19.7
103.05460	5.0
105.07011	18.5
107.04964	4.5
107.08564	3.4
109.02885	4.6
109.06483	4.6
115.05433	8.0
117.06985	9.2
119.04932	9.5
119.08565	13.0
121.06481	4.8
122.06013	6.8
123.04420	11.6
125.06020	4.8
128.06261	7.5
129.06984	19.0
129.10237	3.0
130.06528	7.3
130.07729	4.5
131.04932	4.9
131.08551	7.6
133.06476	19.9
135.04375	3.2
137.02318	4.7
137.05928	10.7
139.03900	4.5
141.06987	10.1
142.07819	5.5
143.08556	10.8
145.06525	7.2
145.10072	5.4
147.04381	14.0
147.07990	16.5
148.08810	12.3
149.05927	4.8
152.06119	8.5
153.01799	5.9
153.05524	8.5
153.06996	16.5
154.07623	4.6
155.02211	4.1
155.08565	7.6
157.06479	12.2
157.10129	4.0
158.05977	5.8
159.08041	8.2
160.05197	11.3
161.05963	44.7
163.03865	17.7
164.04652	3.6
164.07060	25.3
165.01775	5.1
165.05573	4.1
165.06915	6.8
167.07010	11.1
167.08543	20.3
168.07764	3.4
169.06482	9.2
169.10054	4.5
171.04419	3.4
171.08005	12.3
173.05991	10.3
173.09567	4.7
173.12912	5.6
174.06677	4.0
174.13184	3.7
175.03912	23.5
175.07500	49.0
175.08733	4.9
176.08337	26.2
177.05440	13.2
177.06866	6.5
178.07739	5.8
179.03316	3.7
179.08542	13.4
180.05640	4.3
181.06396	17.8
183.08044	14.7
184.05167	7.1
185.05957	11.5
185.09636	16.4
187.03838	3.6
187.07529	10.0
189.05458	20.7
189.09109	12.3
191.03362	47.6
195.07997	30.6
195.11934	5.7
197.05994	10.4
197.09593	13.6
198.06699	5.6
199.07475	33.6
200.04605	3.8
201.05472	7.0
201.09077	11.7
203.03351	11.8
203.05154	7.4
203.06958	73.7
203.08607	4.1
204.07793	100.0
206.07367	4.3
207.02933	5.1
210.06595	4.8
211.07541	8.9
212.04712	9.4
213.05574	22.3
213.09074	44.0
214.06116	4.2
214.09572	4.0
215.06990	10.5
215.10629	7.7
217.08594	53.6
223.07555	24.7
225.09038	24.4
226.06204	9.6
227.06984	34.1
228.07784	21.9
229.04836	5.6
229.08609	10.5
231.06480	6.0
241.04887	7.6
241.08582	77.5
242.09006	3.7
243.06514	11.4
243.10176	14.1
244.03596	3.9
245.07982	16.7
247.05893	4.0
251.07031	12.1
252.09384	14.7
252.59550	3.9
253.08627	8.9
253.13416	7.5
254.05734	3.7
255.06494	9.4
258.05127	5.2
259.09787	14.7
269.08051	82.6
270.08646	5.3
271.06067	10.5
271.09576	9.6
271.14255	4.8
272.18506	4.6
273.04736	4.7
273.07516	25.9
275.04385	5.1
279.06363	4.8
279.11212	8.0
287.09094	91.0
288.09570	8.7
289.07111	4.3
297.07471	31.8
297.10620	3.4
297.12292	6.6
303.03976	19.5
305.05502	11.4
305.10178	13.9
315.08636	50.6
315.13297	33.4
318.03271	18.8
333.05789	14.2
333.09338	65.3
333.20773	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	333.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	6.3
61.57085	0.9
67.05500	1.1
69.03434	1.1
69.88581	6.7
71.01324	1.2
71.53969	0.9
81.03400	1.0
85.06503	1.4
91.05470	1.1
95.04950	1.9
98.20774	1.3
98.98447	5.5
107.04962	1.4
113.05973	2.2
115.05461	4.2
117.07055	1.3
121.06495	1.5
122.11356	1.0
123.04427	3.8
128.06219	1.8
129.06985	2.5
133.02748	1.2
135.04390	1.4
137.02325	1.2
139.05510	1.7
141.06972	2.0
143.04913	4.7
143.08521	1.7
144.05605	1.4
145.02734	1.5
145.06416	1.1
147.04356	1.6
152.06169	3.0
153.06984	3.3
155.08522	2.1
157.06496	2.3
159.07965	1.6
160.05188	6.5
161.05963	5.1
163.03891	2.2
165.07010	3.3
167.08530	6.2
169.06381	1.7
169.07669	1.4
171.04370	2.9
171.08070	2.0
173.05945	22.8
175.07492	2.1
177.07054	1.5
178.07796	1.0
179.08551	2.4
181.06447	3.6
183.08028	6.5
185.05934	6.4
185.09656	2.0
187.07513	2.8
189.05438	100.0
190.05838	3.1
191.03394	2.4
195.08022	8.5
197.05807	2.4
197.07309	1.5
197.09674	1.8
198.06671	3.3
199.07552	3.1
200.04709	6.4
201.05525	1.2
201.09073	14.2
203.06999	3.8
204.07791	98.1
205.08116	2.7
207.07965	1.5
210.06789	1.1
211.07556	6.8
212.04626	2.1
212.91768	1.1
213.05421	15.5
213.09019	9.6
214.06013	1.3
215.06963	2.5
217.04990	1.9
217.08572	5.0
219.02869	3.3
223.07556	4.1
225.09084	3.6
226.06204	6.8
227.07106	3.2
228.04204	1.2
228.07729	3.3
229.05083	1.7
229.08568	33.1
231.06410	2.4
234.06721	2.3
240.04144	2.1
241.04773	4.4
241.08559	81.6
242.09013	4.5
243.07916	1.3
243.09969	5.7
245.04420	2.3
245.08105	3.1
249.09198	1.2
251.07178	1.7
255.06471	18.4
256.00607	1.1
259.09720	2.7
262.06326	1.3
269.08054	19.3
271.09561	2.1
273.04565	2.3
273.07510	28.6
274.07776	1.6
277.08578	1.1
287.06198	1.5
287.09158	26.1
288.09396	1.6
297.07516	29.3
298.07831	1.6
305.07977	1.8
309.07385	2.4
315.08932	9.1
319.77216	1.2
333.10492	9.3
333.14996	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62174	0.4
51.02372	0.4
53.03925	0.7
54.01401	0.4
55.01850	0.9
55.05493	0.5
57.34126	0.3
58.18344	0.3
65.03899	0.9
67.01858	0.9
67.05499	3.0
68.99778	3.6
69.03416	0.4
74.43348	0.3
77.03954	0.4
79.05479	5.7
81.03407	5.0
81.07040	1.0
83.04970	5.1
85.42365	0.4
91.05467	4.4
95.01304	0.4
95.04951	10.5
98.98428	1.1
103.05443	0.9
105.03383	0.9
105.07022	1.2
107.04941	11.3
109.02848	1.7
109.06477	0.4
111.00818	0.6
111.04395	0.5
115.05450	0.5
117.07050	0.4
119.04929	4.4
121.02853	0.6
121.06490	1.1
123.04411	49.6
124.05212	1.0
125.05978	1.0
127.03864	0.6
128.06126	0.4
131.04886	0.4
133.02823	3.0
133.06456	3.1
137.05946	1.9
139.03885	1.4
140.04701	0.8
143.08572	0.4
147.04361	3.1
148.05130	0.4
149.02332	2.4
149.05939	0.6
151.03880	100.0
152.04204	2.7
153.01799	5.4
153.05421	1.0
154.06247	0.8
155.07018	0.7
157.06404	0.7
161.05995	2.4
163.03876	4.8
164.04628	1.0
165.05463	2.1
165.06697	0.3
167.07016	47.6
168.07333	1.6
171.02904	0.4
179.03372	21.8
179.06979	12.9
180.03625	0.4
180.07703	1.6
181.06548	0.6
183.06505	0.7
185.05984	0.8
189.05461	0.6
201.09123	0.5
202.06227	0.5
206.05843	0.7
207.06497	2.8
213.05487	1.9
217.08437	0.6
222.19940	0.4
227.06961	1.5
245.07956	1.9
255.06267	0.7
269.08066	0.7
273.07520	2.4
303.03729	0.6
305.10126	5.3
315.08615	1.7
333.09628	30.5
334.10062	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	333.0963
Annotation	Sulochrin
Peak:m/z	Relative Intensity
50.62174	0.4
51.02372	0.4
53.03925	0.7
54.01401	0.4
55.01850	0.9
55.05493	0.5
57.34126	0.3
58.18344	0.3
65.03899	0.9
67.01858	0.9
67.05499	3.0
68.99778	3.6
69.03416	0.4
74.43348	0.3
77.03954	0.4
79.05479	5.7
81.03407	5.0
81.07040	1.0
83.04970	5.1
85.42365	0.4
91.05467	4.4
95.01304	0.4
95.04951	10.5
98.98428	1.1
103.05443	0.9
105.03383	0.9
105.07022	1.2
107.04941	11.3
109.02848	1.7
109.06477	0.4
111.00818	0.6
111.04395	0.5
115.05450	0.5
117.07050	0.4
119.04929	4.4
121.02853	0.6
121.06490	1.1
123.04411	49.6
124.05212	1.0
125.05978	1.0
127.03864	0.6
128.06126	0.4
131.04886	0.4
133.02823	3.0
133.06456	3.1
137.05946	1.9
139.03885	1.4
140.04701	0.8
143.08572	0.4
147.04361	3.1
148.05130	0.4
149.02332	2.4
149.05939	0.6
151.03880	100.0
152.04204	2.7
153.01799	5.4
153.05421	1.0
154.06247	0.8
155.07018	0.7
157.06404	0.7
161.05995	2.4
163.03876	4.8
164.04628	1.0
165.05463	2.1
165.06697	0.3
167.07016	47.6
168.07333	1.6
171.02904	0.4
179.03372	21.8
179.06979	12.9
180.03625	0.4
180.07703	1.6
181.06548	0.6
183.06505	0.7
185.05984	0.8
189.05461	0.6
201.09123	0.5
202.06227	0.5
206.05843	0.7
207.06497	2.8
213.05487	1.9
217.08437	0.6
222.19940	0.4
227.06961	1.5
245.07956	1.9
255.06267	0.7
269.08066	0.7
273.07520	2.4
303.03729	0.6
305.10126	5.3
315.08615	1.7
333.09628	30.5
334.10062	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	333.0599
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
50.68869	0.7
67.05488	0.8
68.99783	1.1
69.56071	1.3
69.56482	4.4
81.63192	0.7
93.85490	0.6
95.04981	0.7
98.21484	1.3
98.98438	1.1
115.05492	0.7
129.03294	0.9
135.07906	0.6
137.02307	2.3
147.04520	0.8
152.07040	1.2
153.01819	1.5
155.04935	0.9
155.94038	0.7
157.02832	2.3
160.05203	1.3
161.05914	0.7
166.43867	0.7
171.04454	2.0
175.03915	1.3
179.03337	0.8
183.04321	1.0
185.05920	1.2
187.03891	0.9
188.04640	3.1
199.03955	2.0
200.04643	1.9
203.03290	1.4
203.07033	1.6
208.05948	0.7
211.03862	6.2
212.98044	0.8
213.05417	2.1
215.03363	1.0
216.04158	10.5
217.04643	1.1
227.03355	9.1
228.04128	2.3
231.06525	9.7
239.03276	0.8
240.20984	0.8
241.04997	2.4
243.02895	2.7
244.03661	20.6
245.04256	0.7
255.02853	61.0
256.03256	3.2
259.05951	5.0
271.02280	2.6
272.03110	5.8
283.02313	6.5
284.03128	4.0
287.05466	12.9
297.03952	0.7
300.02618	19.5
301.03125	1.2
303.03992	1.0
315.04950	100.0
316.05276	3.5
333.08777	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	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
56.96546	1.7
57.03436	3.0
59.04964	0.6
61.02913	1.9
65.03924	1.0
67.05494	2.7
69.03419	12.7
71.04961	0.6
71.07492	0.5
71.07820	0.9
73.02905	3.0
75.89243	0.5
79.05477	1.5
80.16837	0.5
81.03411	2.2
81.07050	1.2
82.06586	0.8
85.02888	12.6
87.04449	4.9
93.05774	0.6
94.06548	0.8
96.08108	1.3
97.02878	7.8
98.97577	4.1
99.04422	0.8
100.04823	0.5
100.07620	0.6
103.65218	0.5
104.10712	1.5
106.06535	4.4
106.72497	0.5
108.08101	100.0
109.02847	1.6
109.08431	1.4
112.91058	0.5
113.89736	0.5
115.03883	2.9
116.98577	1.2
118.24985	0.5
119.01852	1.0
122.65773	0.5
123.06799	3.1
124.07571	17.7
124.99155	0.6
127.03899	2.9
128.98601	0.8
133.04973	1.4
134.05997	19.3
136.07559	13.8
136.08618	0.7
137.08353	0.8
143.00150	0.8
145.03383	1.2
145.04979	1.3
151.46466	0.5
152.07045	86.3
153.07397	1.5
154.08633	1.7
155.01881	0.6
157.03433	0.5
158.99657	0.9
159.05035	0.5
161.01241	1.1
161.02881	0.8
161.05548	2.7
170.05977	1.2
170.08093	24.7
170.99690	0.9
171.05032	0.6
171.08595	0.6
173.02936	0.8
189.00610	1.1
201.00737	0.8
202.00989	0.6
203.03864	0.7
219.01804	2.0
219.07144	0.8
221.04956	0.7
235.06560	0.7
242.08032	0.7
249.02870	2.1
291.03934	3.8
302.13657	0.5
314.12289	32.6
315.12576	0.6
321.10147	2.0
322.10599	0.8
332.13354	48.8
333.13638	1.3
350.09744	1.2
351.05856	1.3
351.09814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72099	0.2
56.13589	0.2
60.04546	0.2
68.99857	0.8
71.63668	0.4
82.00140	0.2
98.98457	1.3
102.18481	0.2
105.03447	0.5
106.03779	0.5
108.05360	0.2
131.04970	0.3
132.05298	0.3
133.02940	0.6
134.03194	0.5
139.00294	0.3
140.01033	0.3
148.05255	0.6
149.05611	0.4
153.01904	0.5
153.72139	0.2
154.02246	0.4
166.99854	0.3
168.00566	0.8
169.01166	0.7
170.01711	0.4
172.04829	0.3
175.03909	0.4
175.59407	0.2
176.04332	0.6
183.02834	0.2
185.00887	0.9
186.01442	1.4
187.01978	0.6
194.02158	0.7
195.02464	0.5
200.04332	0.3
201.05127	0.4
204.03764	0.5
214.05992	0.4
215.06714	0.3
217.04961	0.3
218.05345	0.6
228.03766	0.5
229.04655	1.0
230.05330	0.6
231.02870	0.2
232.03357	0.4
242.05394	0.5
243.06073	0.3
245.04390	4.8
246.04767	16.1
247.04805	0.3
254.05313	0.2
256.03336	1.2
257.03979	1.3
260.06488	0.7
261.07172	0.3
270.04837	0.9
271.05554	1.4
272.06323	1.3
273.03876	3.6
274.04248	18.0
275.04645	0.5
282.04794	0.3
284.03003	0.3
285.03488	1.3
286.04340	0.4
286.07797	0.4
287.05142	0.3
288.05798	2.1
289.06348	0.3
298.04398	0.4
299.05045	3.0
300.05737	1.6
301.03302	2.4
302.03745	18.5
303.03903	0.5
315.04800	0.4
316.05490	7.6
317.06082	46.9
318.06342	1.5
331.67865	0.2
332.08401	100.0
333.08624	2.5
344.01694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03930	1.5
57.03412	1.5
61.02917	2.4
65.03939	1.0
67.05485	2.5
68.70300	0.4
69.03421	6.7
70.41193	2.2
71.04929	0.7
73.02905	1.8
79.05468	1.1
81.03390	1.7
81.07064	0.9
85.02895	8.3
85.58065	0.5
87.04447	1.9
91.03947	0.6
92.04915	0.5
93.05759	1.0
96.04492	0.4
96.08121	1.2
97.02876	3.9
98.97549	0.8
99.04418	0.9
106.06530	4.3
107.73154	0.5
108.08099	100.0
109.02925	0.8
109.08424	1.9
112.04697	0.5
112.99121	0.8
115.03896	0.7
122.05943	0.6
123.06770	4.2
124.07574	15.7
126.19760	0.5
127.03881	1.3
131.00171	0.7
134.06000	15.8
136.07553	15.6
149.01202	0.5
152.07043	83.0
153.07391	1.6
154.08594	1.8
170.08098	17.1
178.04979	0.6
208.50894	0.5
213.05164	1.1
225.57991	0.6
314.12280	41.6
315.12668	1.0
327.38873	0.6
332.13351	52.8
333.13483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41436	2.0
53.39943	2.1
55.05505	11.1
57.03422	7.1
57.07066	100.0
67.05495	23.6
67.37106	2.0
68.17368	1.9
69.07049	21.0
70.06576	6.2
70.19823	10.2
71.08252	4.3
71.08622	66.3
75.04499	2.6
79.05484	5.6
81.07043	31.2
83.08611	23.7
85.10171	33.9
88.07622	11.0
95.07182	2.0
95.07996	4.3
95.08593	56.5
97.10167	15.4
98.98454	41.5
99.11696	2.7
103.07561	2.5
106.08667	6.7
109.10153	25.8
111.11713	3.6
123.11694	11.6
125.13272	2.9
136.68425	2.2
137.13206	5.6
151.14822	2.2
153.01830	4.7
176.98940	3.4
221.22612	2.9
239.23671	19.0
257.24744	6.1
301.03375	15.2
313.27338	60.5
313.32968	5.4
316.05807	4.6
331.08066	25.6
331.33978	89.3
331.65710	2.5
332.08377	2.8
332.34448	2.0
332.84451	2.0
333.42889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.8
57.03417	2.8
57.06805	2.0
57.07068	35.7
58.67044	1.5
67.05486	9.0
69.07050	7.6
69.29559	18.7
71.08261	1.5
71.08626	23.0
81.07050	11.0
83.08595	10.1
85.10169	13.6
85.68200	1.6
91.05439	2.1
93.07023	1.7
94.24577	1.4
95.08591	18.8
97.10145	4.9
98.98454	100.0
100.98873	2.8
105.07023	1.9
109.10150	11.9
116.99481	4.1
119.08593	1.7
120.00091	1.6
121.10130	1.6
123.11670	4.9
125.13255	1.9
131.08516	1.8
137.13213	4.2
140.01048	2.6
145.10104	3.2
149.02319	3.8
153.01804	11.3
155.78351	1.4
164.04674	3.6
165.08951	1.5
174.99254	3.6
175.03943	2.3
176.98880	7.5
228.04170	4.8
231.02802	4.4
239.23590	7.5
241.29941	2.0
245.04410	1.9
256.03635	3.6
257.24942	2.8
271.05972	2.6
273.03912	4.4
284.03046	2.8
299.05481	1.8
301.03372	14.2
303.08307	1.5
313.27353	19.8
316.05688	10.0
317.05887	1.9
331.08063	52.7
331.22708	1.5
331.34164	2.6
332.08484	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	331.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76244	1.5
55.05508	14.1
57.03418	5.2
57.07067	87.5
58.07385	1.8
67.05195	2.0
67.05498	23.7
69.07053	17.8
70.06564	7.1
71.06908	2.7
71.08623	60.8
71.10397	1.6
71.10735	4.1
72.87865	1.3
75.04462	3.2
79.05479	3.2
81.07043	27.3
81.07501	3.1
83.08609	25.0
85.10168	33.1
88.07626	10.2
89.07948	3.2
93.07029	3.8
95.08591	46.2
97.10150	11.8
98.98454	100.0
100.98843	1.8
102.09193	2.1
105.06958	2.0
106.08620	5.4
107.08519	1.8
109.10155	17.7
111.11691	3.8
113.13255	1.6
116.99474	1.9
119.08562	3.9
123.11670	8.1
125.13241	1.8
127.03891	2.6
133.10149	2.4
137.13213	5.2
139.42532	1.7
141.88048	1.5
142.15802	1.6
147.11644	1.9
149.02292	3.6
153.01791	10.2
164.04576	3.9
165.16307	1.5
174.99179	2.6
176.98869	4.9
183.11813	1.9
192.07771	1.8
221.22670	2.8
228.04037	4.7
231.02873	5.5
239.23648	16.1
256.03549	4.2
257.24710	6.0
271.05881	4.8
273.03833	6.4
284.03174	2.6
299.05426	2.5
301.03400	18.6
303.08545	2.1
313.27347	48.0
313.32959	4.5
314.27646	2.6
316.05569	12.2
331.08047	57.9
331.18692	5.3
331.22726	3.5
331.33942	86.9
332.08337	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	331.1283
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03931	0.5
55.01869	4.0
55.05489	0.6
65.03944	0.5
67.05476	1.2
68.99787	0.9
69.03425	0.5
69.07050	1.1
70.06562	0.5
71.04947	0.5
71.62177	0.7
71.62531	0.5
79.05477	1.4
80.05025	0.7
81.03384	0.6
81.07047	0.8
82.06544	0.8
85.02910	0.6
91.05479	1.1
92.02303	0.5
94.06564	2.3
95.04958	0.8
95.08581	1.0
97.02895	0.7
97.06520	0.5
98.06042	0.6
98.98455	25.4
100.98885	0.7
103.05434	0.5
105.06992	1.1
106.06530	2.0
107.01312	0.6
107.04918	0.7
107.08564	0.6
108.04456	3.8
108.08115	0.8
109.10182	0.5
110.06016	1.0
111.04439	0.5
111.59558	0.4
116.99470	0.6
119.04919	0.6
120.08074	0.5
121.02805	0.7
121.10162	0.5
122.06005	3.8
123.04414	1.0
125.62946	0.5
127.03856	0.7
129.06955	0.5
131.04852	0.6
133.07562	0.5
134.05989	3.4
135.04417	0.8
136.03883	1.9
136.07475	1.1
137.06003	2.3
143.08583	0.5
144.08040	0.8
145.02783	0.5
145.06447	0.4
146.05920	0.9
147.04329	1.0
148.03944	1.0
148.07558	0.9
149.02298	1.9
150.05504	0.6
152.06007	0.6
152.07065	0.6
153.01808	5.5
153.05402	0.6
153.06897	0.6
154.02162	0.6
155.08534	0.8
156.08047	1.0
157.06433	0.6
158.09622	0.9
159.04485	0.5
159.09154	1.1
160.05170	0.5
161.07112	1.4
162.05467	8.0
162.06689	0.6
163.03938	0.9
163.06224	1.1
164.04608	1.7
164.07031	2.1
165.05357	0.8
165.06856	0.7
166.04887	0.6
166.08708	0.5
167.03400	1.3
167.07072	0.5
167.08502	0.6
168.06552	1.6
168.07872	0.6
170.02028	0.9
170.08215	1.2
170.09628	1.7
171.04456	0.5
172.06242	0.5
172.07570	0.5
172.11198	0.8
173.05885	0.6
173.10747	1.5
174.09157	0.7
175.03941	0.8
176.07019	1.4
176.98940	1.9
177.05457	0.6
178.06259	1.2
179.03323	0.8
179.06578	0.8
182.08162	0.6
183.09177	1.3
184.07513	0.8
184.11281	0.7
185.10728	0.6
186.07845	1.9
186.09248	0.7
186.58240	0.6
187.03905	1.1
187.08711	2.9
187.12268	1.8
189.05136	0.8
189.06602	6.6
190.07104	0.6
191.03331	0.7
194.08131	1.0
195.02878	0.7
197.10709	1.4
198.09160	1.3
199.08675	1.1
200.04660	1.1
200.09372	1.6
200.10912	1.0
201.10242	6.4
203.03346	5.0
203.08125	3.1
204.03722	0.8
205.04898	0.8
211.07146	0.6
211.08719	1.6
212.04192	0.8
212.10901	0.9
213.10452	2.4
214.07341	1.7
214.10641	0.5
215.03375	2.1
215.08157	12.6
215.11627	4.2
216.04080	1.7
217.04520	3.0
218.02075	0.7
223.02336	0.5
224.09302	0.7
225.10170	2.0
226.08578	1.2
226.10947	0.7
227.03346	0.7
227.08096	1.9
228.03978	3.2
228.08855	1.7
229.09720	13.3
229.13153	2.4
231.02872	2.3
231.06306	0.7
231.11162	0.8
232.03264	0.7
232.06895	1.3
238.06454	0.5
239.06805	1.1
239.11658	3.0
240.10214	1.0
241.09644	2.2
242.05539	0.9
242.10355	0.8
243.02875	0.6
243.07852	2.6
243.11276	6.2
244.03592	0.6
245.04123	2.2
246.04875	0.6
247.02390	0.6
247.14433	1.2
252.08870	1.4
253.09486	1.9
254.10416	1.3
255.02902	2.1
255.11247	0.8
256.03290	6.4
257.03906	0.7
257.09155	8.7
257.12790	7.0
259.06122	1.2
259.10812	1.2
260.06339	1.7
261.12396	0.7
267.11252	4.5
268.09653	1.0
270.04694	0.9
270.09988	0.5
271.02371	1.4
271.06018	1.2
271.10748	8.7
272.02719	0.6
273.03784	2.6
275.13837	4.3
284.02917	1.9
285.03867	1.3
285.07523	1.4
285.12305	11.7
287.05371	1.4
288.05832	5.4
295.10718	5.2
299.05405	2.5
301.03275	8.1
301.06339	1.1
302.03452	0.8
303.04980	4.4
303.07999	0.7
303.13345	4.4
313.08212	0.8
313.11774	21.7
314.12045	1.4
315.04916	1.7
316.05359	24.9
317.05508	1.8
329.10110	0.6
330.06732	0.6
331.04367	6.0
331.07974	35.5
331.12796	100.0
332.04599	0.8
332.08304	2.1
332.13113	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
67.79296	0.4
68.99786	1.0
91.05495	0.5
107.18211	0.4
119.04945	1.0
121.02858	0.6
123.04407	0.9
125.05918	0.5
149.02321	14.2
153.01804	34.3
153.05453	1.7
163.03879	0.5
164.04659	6.2
172.05144	0.8
186.03088	1.3
191.03391	0.5
200.04709	3.5
201.05194	0.4
203.03415	2.8
205.04930	2.8
212.80952	0.4
217.04974	1.5
218.80525	0.4
227.03354	1.0
228.04138	14.5
228.06323	1.0
229.04765	1.0
231.02837	8.0
239.03363	1.3
240.04115	0.9
243.06506	1.2
245.04419	2.4
255.02811	1.3
256.03635	11.2
268.03702	0.6
271.05957	8.5
272.06418	0.4
273.01144	0.7
273.03909	10.1
283.02231	1.0
284.03088	6.4
285.03937	2.2
299.05466	8.3
301.03375	29.3
302.03778	1.0
303.08652	1.5
315.04782	0.6
316.05713	15.5
331.08057	100.0
332.08359	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	Desmethoxycentaureidin
Peak:m/z	Relative Intensity
55.01858	0.4
60.04495	0.4
68.99769	1.9
70.02606	2.2
70.97182	0.4
79.05502	0.5
81.07018	0.7
91.05470	0.6
93.07046	0.6
95.08578	0.7
97.06517	1.2
98.98454	13.7
100.98859	0.9
118.04124	0.7
118.34859	0.4
119.04930	2.4
123.04433	0.7
124.01579	0.9
127.11855	0.4
128.06252	0.5
128.47881	0.4
129.62836	0.4
145.06483	0.7
147.04420	1.0
149.02319	4.3
152.01079	0.9
153.01801	9.8
158.03561	0.5
159.08049	0.6
160.05200	0.5
161.05914	0.6
163.03853	0.7
164.04640	5.0
168.05707	0.9
170.02107	1.5
172.05209	0.4
175.07471	0.7
176.98894	1.0
177.05460	0.6
183.04497	0.6
184.05240	1.0
185.06009	0.6
186.03108	0.8
186.06802	0.9
187.07506	1.1
191.03471	0.8
197.05943	1.0
198.06670	0.6
199.07506	0.6
200.04683	2.5
201.05428	1.1
203.03378	1.8
204.04143	1.4
205.04913	1.7
212.04552	1.0
213.05437	5.7
214.06145	1.3
215.03369	0.9
216.04108	1.0
217.04910	1.9
223.02580	0.6
227.03323	0.6
227.07039	1.0
228.04140	9.1
229.04778	1.0
231.02943	2.4
239.03328	0.5
241.04930	6.9
242.05693	10.4
243.06474	8.2
245.04445	1.3
253.01340	0.5
253.04956	1.2
255.02858	1.5
255.06485	0.6
256.03583	5.4
257.04214	1.0
269.04456	1.9
270.05191	8.6
271.02975	0.8
271.05966	16.1
273.03848	2.7
275.09024	0.9
283.02420	1.1
284.03058	1.9
285.03879	1.3
287.05511	1.1
288.06262	0.6
297.03967	0.7
298.04675	9.1
299.02261	0.7
299.05521	5.8
299.08823	0.9
301.03391	8.0
301.06622	1.0
303.04926	2.8
303.08456	0.9
315.04910	0.9
316.05719	11.3
331.08072	100.0
332.08380	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	331.0808
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
60.34554	0.3
68.99781	1.2
71.32762	0.9
74.95701	0.4
79.05454	0.5
80.96025	0.4
90.04665	0.8
98.98461	5.2
102.04620	0.5
107.05033	0.6
133.02812	0.5
135.04417	0.7
139.00244	1.7
144.05672	0.6
148.05157	0.8
149.02299	1.4
153.01816	3.1
156.38153	0.4
158.03621	0.5
159.04327	0.5
164.04706	0.9
166.99739	0.8
168.00516	0.9
169.01312	1.0
175.03828	0.9
183.02747	0.5
185.00821	2.2
186.01532	1.1
187.03770	0.7
190.28134	0.4
199.03905	1.1
200.04666	1.1
201.05510	1.0
205.04996	0.6
211.03929	0.6
217.04930	1.4
228.04158	4.4
229.04909	1.0
231.02896	1.0
231.06801	0.5
241.04980	0.8
243.06519	0.9
245.04411	5.8
255.02861	1.2
256.03601	9.2
257.04382	5.5
259.05981	0.5
260.06897	0.6
269.04510	0.8
270.05255	1.0
271.05988	4.5
273.03943	9.9
273.06906	0.6
274.04214	0.6
283.02377	0.5
284.03107	8.4
285.03909	8.1
287.05481	1.5
288.06201	0.9
298.04742	2.5
299.05478	5.1
301.03387	12.4
301.06281	0.5
315.05029	1.6
316.05737	44.0
317.06009	1.9
331.08078	100.0
332.08429	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	331.0809
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
68.99770	0.7
69.00099	0.3
69.64940	2.1
93.47002	0.3
98.98415	1.3
105.03342	1.1
107.04903	0.7
112.01559	0.5
131.04890	1.1
133.02811	1.1
147.04355	0.4
148.05190	0.5
151.03821	0.3
153.01770	1.0
163.39790	0.3
168.00487	1.2
169.01282	1.0
171.04431	0.4
175.03867	1.3
179.03447	0.3
185.00809	1.8
186.01540	1.4
194.02051	1.2
196.91370	0.3
199.03949	0.5
200.04619	0.5
203.03371	0.4
207.23912	0.3
217.04884	0.9
227.03470	0.4
228.04073	0.5
229.04951	0.9
231.02847	0.6
241.04846	0.5
242.05684	0.7
245.04434	21.8
246.04776	0.3
255.02791	1.0
256.03748	1.6
257.04388	0.4
259.06006	0.7
260.06976	0.4
269.04416	0.8
270.05380	1.5
271.06003	1.5
273.03897	23.0
274.04358	0.3
284.03061	1.0
285.03897	0.5
285.07379	0.4
286.04852	0.3
287.05478	2.4
288.06085	0.4
297.04074	0.4
298.04703	3.1
299.05511	1.3
301.03400	20.1
302.03708	0.8
315.04941	5.0
316.05740	50.6
317.06009	2.2
331.08078	100.0
332.08368	3.5
335.91315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0807
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
68.99792	0.7
69.71419	3.3
79.66812	0.4
91.05453	0.8
96.22711	0.5
97.06511	0.5
98.20779	1.0
98.98453	5.7
107.04865	0.5
118.04117	1.1
119.04922	2.4
121.02816	0.7
123.04409	0.9
137.02277	0.8
145.02841	0.6
147.04361	0.8
148.05231	0.6
149.02322	5.7
153.01805	12.1
153.05431	1.1
161.05901	0.6
163.03836	0.6
164.04678	3.6
168.05652	0.9
169.06490	0.8
170.00711	0.4
170.02126	1.1
176.98885	0.6
179.03404	1.2
184.05153	0.5
185.06035	0.7
186.03108	0.7
196.05240	0.8
197.05905	0.9
200.04663	2.2
203.03284	1.0
204.04112	1.0
205.04897	0.9
213.05432	4.2
214.06218	1.4
215.07053	1.3
216.04166	0.5
217.04984	1.6
225.05418	0.7
227.03334	0.9
228.04126	8.6
229.04752	0.8
231.02861	1.8
239.03175	0.9
240.04129	1.1
241.04912	7.3
242.05733	8.9
243.06461	3.4
245.04410	1.4
253.04951	2.0
255.02890	1.1
256.03598	6.1
257.04263	1.0
268.03552	1.2
269.04416	2.0
270.05191	6.9
271.05978	14.9
271.84314	0.5
273.03864	2.5
283.02151	0.6
284.03156	1.5
285.03760	0.9
287.05487	1.3
298.04675	6.6
299.05423	6.3
300.06012	0.5
301.03348	9.2
301.06430	0.6
315.04971	0.7
316.05664	12.1
316.09033	0.9
331.08054	100.0
332.08362	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	331.0806
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
68.99780	1.5
69.58084	2.0
69.58501	0.7
90.47652	0.4
90.51418	0.4
91.05441	0.5
98.20630	0.3
98.98459	4.1
119.04897	1.1
121.02843	0.8
123.04389	0.9
131.04887	0.4
135.04343	0.5
137.02301	0.3
138.03093	0.3
147.04333	0.5
149.02316	12.3
153.01804	27.8
153.05428	1.6
164.04657	5.4
167.03322	0.7
167.27237	0.3
172.05141	0.4
179.03352	0.7
183.04431	0.5
186.03102	1.4
189.05469	0.4
191.03413	0.5
197.05872	0.5
200.04625	3.9
203.03346	2.6
205.04874	2.3
208.05124	0.6
209.05490	2.0
210.06689	0.6
211.03955	0.5
213.05571	0.6
213.08795	0.3
216.04062	0.5
217.04840	1.7
227.03410	0.6
228.04138	14.0
229.04805	0.4
231.02847	7.2
232.03107	0.4
239.03381	1.0
240.04034	1.0
241.04912	1.1
241.37987	0.4
242.05580	0.6
243.06509	1.7
244.07010	0.3
245.04358	2.1
255.02803	1.0
255.06073	0.5
256.03598	9.2
257.04306	0.7
269.04211	0.5
270.05240	0.4
270.08310	1.6
271.05997	7.3
271.09515	1.1
273.03897	7.7
273.06937	0.6
275.09085	0.6
283.02347	0.9
283.05710	0.5
284.03152	6.6
285.03860	2.6
285.07101	0.7
288.06155	1.0
299.05484	8.1
299.08893	0.6
300.05966	0.7
301.03400	27.0
302.03784	0.9
303.08615	1.2
313.08069	0.7
316.05692	18.6
316.09000	3.8
317.05887	0.8
331.08044	100.0
331.11133	5.0
332.08350	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	331.0805
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
53.13441	0.2
60.54014	0.2
68.98002	0.2
68.99771	1.0
69.42759	0.7
69.43184	1.0
80.03301	0.2
80.94917	0.2
91.56465	0.2
95.68073	0.2
97.02880	0.2
98.21481	0.3
103.62792	0.2
107.01288	0.3
121.02873	0.7
123.04407	0.8
125.05988	0.2
133.02887	0.2
139.66486	0.2
147.04359	0.3
149.01096	0.4
149.02318	10.0
153.01807	22.2
153.05360	1.3
158.03616	0.4
163.03902	0.4
164.04660	6.3
170.02087	0.3
171.04466	0.2
179.03362	0.5
200.04662	1.5
203.03384	3.9
205.04921	4.8
217.04918	2.0
227.03386	0.9
228.04129	8.8
229.04834	0.3
231.02847	12.5
239.03214	0.3
243.06538	0.5
245.04382	2.5
253.04764	0.2
255.02831	1.0
256.03632	5.6
270.05325	0.3
271.05966	3.5
273.03909	14.2
275.09210	0.2
283.02289	1.2
284.03101	4.0
285.03806	1.3
288.06250	0.4
299.05493	4.1
301.03384	50.1
302.03882	0.2
312.29755	0.2
316.01962	0.4
316.05734	16.2
331.08066	100.0
332.08322	0.3
354.31879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
57.03409	0.4
68.99776	0.6
69.98094	2.2
91.05447	0.6
93.06956	0.4
98.98455	5.2
119.04926	0.6
121.02820	0.6
123.00751	1.2
123.04388	1.3
124.01564	0.9
125.06034	0.4
127.03957	0.4
131.04909	0.4
133.02852	0.7
135.04453	0.4
137.05943	0.4
139.03920	0.5
144.05667	0.7
147.04373	0.6
149.02322	14.8
151.00272	0.4
152.01028	4.4
153.01817	17.1
153.05382	1.9
163.03899	1.2
164.04671	9.9
164.05928	0.3
165.05460	0.7
169.01306	0.5
170.02063	2.0
177.05428	0.5
179.03369	0.5
180.07724	0.5
183.55028	0.4
187.03891	1.0
190.05045	0.4
191.03317	0.8
197.05917	0.4
199.03752	0.5
200.04677	2.9
201.05316	0.4
203.03378	2.7
205.04921	3.6
209.04369	0.5
213.09103	1.3
215.03398	1.6
215.06905	1.1
217.04927	1.7
223.02333	0.6
227.03474	0.8
228.04160	8.7
229.04848	1.0
230.78252	0.4
231.02841	7.0
232.03604	0.5
236.14601	0.4
240.04161	0.4
241.04836	0.7
241.08565	0.8
243.02863	1.4
243.06427	1.9
244.03696	0.5
245.04398	1.4
247.06075	0.5
253.01352	0.6
255.02882	1.4
256.03616	6.8
257.04321	0.7
257.07965	0.5
259.06042	0.7
267.02798	0.5
271.02866	0.5
271.05902	4.5
273.03918	8.6
275.05457	0.7
283.02249	1.1
284.03162	2.8
285.03873	2.9
285.07150	0.7
288.06329	0.6
299.02191	0.6
299.05472	4.2
300.05902	0.4
301.03400	33.7
302.03766	0.9
303.04968	7.7
303.08371	0.5
304.05307	0.5
307.15247	0.4
316.05704	14.2
322.18436	0.5
331.08072	100.0
332.08432	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0802
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.46722	0.3
55.01866	0.3
55.20053	0.2
56.39922	0.2
56.96534	0.3
57.03429	0.7
63.26139	0.2
64.48840	0.2
65.02412	0.2
68.99767	0.9
69.03430	1.1
70.00659	0.2
70.06579	0.4
70.76970	0.8
72.08152	1.9
73.08475	0.5
75.08489	0.2
80.05876	0.3
81.03391	0.3
84.04488	0.3
85.02888	1.6
86.09680	0.5
87.04449	0.3
91.05447	0.4
95.08608	0.2
97.02874	0.9
98.98447	10.9
100.98840	0.3
102.54590	0.2
107.01266	0.3
109.02869	0.4
115.03930	0.3
116.99472	0.3
121.02842	0.7
123.04391	0.9
137.02359	0.6
137.05936	0.3
138.06216	0.4
147.04369	0.4
149.02324	9.9
150.02779	0.3
153.01804	23.1
153.05304	1.3
154.02071	0.3
158.03622	0.6
162.05417	0.4
163.03905	0.5
164.04652	6.1
170.02023	0.4
171.14888	0.4
172.05165	0.3
174.99210	0.5
175.03897	0.6
176.98891	0.9
177.01753	0.3
177.05415	0.3
179.03346	0.4
189.00572	0.3
191.03394	0.4
195.02850	6.1
200.04659	1.2
203.03375	3.7
205.04929	4.9
211.03960	0.3
213.05507	0.5
215.06839	0.3
217.04926	1.4
224.90413	0.3
227.03358	0.7
228.04129	9.9
229.04865	0.5
231.02863	10.8
232.03043	0.3
239.03384	0.3
240.04063	0.5
241.04858	0.4
243.06427	0.7
245.04407	3.0
255.02864	1.1
256.01593	0.2
256.03616	7.4
271.06003	4.1
273.03903	14.3
274.04071	0.5
275.09039	0.5
283.02255	1.2
284.03119	4.3
285.03882	1.6
285.07129	0.5
287.05457	1.9
288.06107	0.6
299.05466	4.7
301.03384	51.8
302.03738	1.4
303.08102	0.9
313.06915	0.3
315.04974	0.3
316.05722	17.9
317.06039	0.6
331.08066	100.0
332.08411	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	331.0798
Annotation	Aflatoxin G2
Peak:m/z	Relative Intensity
53.49557	0.2
57.03431	1.0
68.99795	1.0
69.88160	0.6
69.88567	1.2
70.06575	0.6
81.07068	0.3
85.02897	0.4
89.03952	0.3
91.05488	0.3
95.04941	0.5
98.98462	6.1
101.00253	0.4
115.05493	0.4
118.17623	0.3
119.04940	0.5
121.02840	0.8
123.04436	1.1
137.02280	0.3
141.36194	0.3
149.02318	10.4
153.01805	23.9
153.05397	1.7
154.02155	0.4
158.03593	0.5
163.03911	0.9
164.04668	6.2
167.03503	0.3
170.02066	0.5
173.05945	0.6
176.04608	0.3
176.98933	0.4
179.03419	0.8
187.03851	1.9
189.05362	0.3
191.03352	1.6
200.04607	1.8
203.03375	3.8
205.04948	5.0
209.04379	1.7
211.03786	0.3
213.09042	0.5
214.02597	0.4
215.03352	4.4
215.06837	0.3
216.04114	1.3
217.04875	2.1
218.02083	1.2
219.02878	0.9
223.02354	1.7
227.03445	1.3
228.04143	10.1
229.04819	0.8
231.02858	12.6
232.03508	1.0
236.03215	0.3
239.03441	0.6
241.05000	0.6
242.02147	0.5
243.02898	2.4
243.06581	0.9
244.03618	0.8
245.04437	3.3
247.05954	1.3
253.01399	1.4
255.02811	1.1
256.03632	6.3
257.04443	0.6
259.05945	0.9
260.03125	0.6
261.03961	0.3
267.11307	0.4
271.02341	1.1
271.05981	4.1
273.03900	13.6
274.04422	0.4
275.05560	1.3
275.08670	0.3
279.03891	0.3
283.02338	1.0
284.03125	4.4
285.03909	4.8
288.06039	0.4
299.01843	1.2
299.05469	3.7
301.03384	51.1
302.03775	1.1
303.04953	18.0
303.08127	0.7
304.05270	0.8
313.06955	0.4
313.11563	0.3
315.05127	0.5
316.05719	17.1
317.06015	0.4
331.04785	4.6
331.08060	100.0
332.04959	0.5
332.08401	2.7
345.09476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0806
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.50860	0.3
52.10186	0.4
66.47772	0.3
68.02182	0.4
68.99789	0.7
69.28955	4.1
71.64564	0.4
82.00552	0.5
97.02879	0.5
98.98449	1.3
107.01311	0.8
107.86994	0.5
118.04146	0.6
119.04870	0.7
123.04429	0.5
136.17284	0.4
139.05371	0.5
141.06789	0.5
144.05701	0.8
145.06427	0.6
148.05171	2.5
149.02321	2.9
149.05992	1.0
151.07483	1.0
153.01801	11.9
161.02193	0.4
163.03871	1.3
164.04659	2.4
165.01875	0.4
168.05727	0.5
169.06480	1.1
170.02084	2.0
172.05182	0.7
173.05965	0.4
178.02660	1.0
184.05128	1.5
187.07507	1.2
197.05927	1.3
200.04630	3.3
203.03336	1.2
205.04903	2.1
212.04665	1.4
213.05428	6.1
214.06189	0.7
215.06979	6.3
217.04941	1.3
224.04448	0.5
225.05510	0.8
227.03378	1.8
227.06927	2.1
228.04124	14.0
229.04832	1.1
231.02794	3.0
240.04187	1.1
241.04962	3.7
242.05679	7.4
243.06494	7.6
245.04353	1.5
253.04968	0.9
255.02919	0.7
256.03613	7.0
257.04254	0.8
263.19778	0.5
268.03644	0.7
269.04385	1.9
270.05185	4.5
271.05969	22.4
272.06262	0.5
273.03897	4.1
281.04425	0.5
284.03104	3.2
285.03812	0.7
287.05573	1.5
297.03885	2.9
298.04681	5.0
299.05472	11.7
300.06039	0.9
301.03400	10.2
301.06680	0.4
303.08545	1.0
315.04965	3.2
316.05591	7.9
331.08063	100.0
332.08508	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	331.0443
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.05603	0.6
57.03244	1.9
57.03564	2.9
63.02467	0.7
66.66930	0.4
68.99896	0.6
70.88231	0.5
73.89921	0.5
79.86275	0.5
83.04714	0.5
83.05135	1.3
85.03008	0.7
88.70441	0.5
95.05047	0.6
98.98628	3.6
101.00395	1.0
102.03919	0.6
103.05624	1.0
111.09400	0.5
113.02517	0.6
115.53019	0.5
119.05116	0.5
121.03024	0.7
131.05052	1.1
139.05481	0.6
147.04549	0.6
149.02332	5.7
152.01175	0.5
153.00664	0.9
153.01808	15.9
153.05670	0.6
159.04582	0.8
160.05281	1.1
163.04076	2.3
164.04681	4.6
170.02196	1.2
176.04800	1.2
187.03894	7.3
191.03345	6.3
195.03011	1.3
200.04819	0.9
201.05574	0.8
203.03355	4.4
204.04263	1.6
205.01442	0.9
205.04901	3.7
209.04393	5.3
211.07596	1.0
213.05566	1.2
214.02695	2.1
215.03352	19.2
216.04129	4.9
217.05144	1.7
218.02060	4.7
219.02814	3.1
223.02382	5.2
225.01935	0.8
227.03476	2.2
228.04083	6.2
229.04990	1.3
231.02844	7.2
231.04703	0.5
232.03737	2.6
233.04543	1.4
236.03165	0.8
241.05127	1.4
242.02219	1.9
243.02867	11.4
243.06601	0.8
244.03627	2.9
245.00769	0.6
245.04555	1.5
247.05972	7.1
253.01299	5.5
253.03250	0.5
255.02986	0.9
256.03641	3.8
257.04471	1.1
259.05936	4.7
260.03149	2.8
261.03894	1.7
267.06506	0.7
270.01706	1.5
271.02423	3.7
271.06064	1.9
273.03906	9.0
275.05511	7.8
281.59308	0.6
284.03119	3.3
285.03937	16.6
285.07214	1.4
296.81683	0.5
299.01828	5.6
299.05457	2.6
299.08826	0.7
301.03400	33.1
302.03607	1.0
303.04956	100.0
304.05222	3.7
312.80197	0.5
313.03171	0.6
316.05676	11.6
316.09052	0.9
331.04373	15.5
331.08026	79.4
332.04846	1.0
332.08313	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	331.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00182	0.4
53.69225	0.4
55.01926	0.6
56.05111	0.4
57.03202	0.9
57.03513	3.8
59.74718	0.4
62.12566	0.3
63.02164	0.4
63.02427	0.8
67.05243	0.4
67.05580	1.1
68.99496	0.7
68.99879	1.3
69.03492	0.5
70.06654	1.0
71.05048	0.4
71.63674	0.8
75.90199	0.5
76.02293	0.8
79.05603	1.3
81.07129	0.8
84.08224	0.6
85.03001	2.1
89.04027	1.3
91.05586	1.2
93.07113	0.5
94.06645	0.5
95.05067	1.4
95.08681	0.5
97.02975	0.5
97.06602	0.8
98.97858	2.0
98.98569	27.3
100.98957	0.9
101.00390	1.5
101.93732	0.4
103.05556	0.9
106.67574	0.4
107.05042	0.7
107.08667	0.5
108.08237	1.4
109.02996	0.5
110.09785	0.9
111.04498	0.6
115.05523	1.1
116.01708	0.4
116.98804	0.4
116.99582	0.9
119.05022	0.6
119.91220	0.4
120.04568	1.8
121.02959	0.6
121.06612	0.5
122.27252	0.4
123.04537	1.2
127.03965	0.5
128.06291	0.4
129.07051	0.5
131.05031	1.2
134.06056	1.0
135.04524	1.2
136.07695	1.5
137.02432	1.0
137.06078	1.1
138.09279	1.5
139.05504	0.9
143.53082	0.4
145.02924	0.5
145.06569	1.2
147.04437	0.9
149.02318	7.1
150.03230	0.9
152.07059	2.1
153.01807	18.7
153.05586	1.1
154.08762	0.5
155.05008	0.7
157.06641	0.5
158.03766	0.6
158.85805	0.4
159.04517	0.9
160.05266	1.0
161.06062	0.5
162.03459	0.7
162.05495	18.3
163.03914	3.1
164.04655	4.1
164.07150	0.9
165.02036	0.5
165.05746	0.4
165.07072	0.8
167.03397	3.6
169.06606	0.5
169.12328	0.4
170.02219	1.5
171.04533	0.8
173.02409	0.6
173.06041	0.7
174.99342	1.3
175.03947	0.8
176.04790	1.6
176.97635	0.4
176.98906	2.2
177.05602	1.2
179.03419	0.7
179.04903	0.8
182.08151	3.1
183.04460	0.7
184.03711	0.5
185.05959	0.6
186.03200	0.5
187.03886	8.0
188.04532	0.7
189.05559	0.8
190.02690	1.0
191.03387	6.1
194.02278	0.4
195.02869	2.0
195.04526	0.4
200.04678	2.0
201.05569	1.4
202.02682	1.1
202.06149	0.4
203.03357	5.5
204.04224	1.8
205.01433	0.7
205.04912	4.2
209.04440	7.8
209.06305	0.4
210.05006	0.5
211.03905	0.8
212.04669	0.5
213.05528	1.3
213.09081	0.9
214.02565	2.1
215.03357	20.9
216.04160	6.1
217.04921	3.0
218.02068	3.7
218.05688	0.6
219.02937	2.4
219.06404	2.5
223.02295	6.5
225.01967	0.5
227.03474	2.6
227.07031	0.4
228.04146	8.8
229.04880	2.2
231.02855	8.0
231.06589	0.8
232.03523	2.5
233.04494	1.5
236.03203	0.7
239.03432	0.8
239.11772	2.0
241.04913	2.2
241.08591	1.0
242.02136	1.9
242.05550	0.9
243.02853	11.8
243.06456	3.5
244.03670	2.8
245.04410	2.9
247.06013	6.9
253.01332	5.0
253.09734	0.8
255.02802	1.9
256.03568	6.2
256.27103	0.4
257.04443	1.7
257.08044	0.8
259.06003	4.8
260.03235	3.4
261.04077	1.2
263.01819	0.6
267.02762	0.7
267.06662	0.5
267.11166	2.9
270.01691	1.3
270.05054	0.7
271.02408	3.8
271.06030	6.0
271.10611	0.8
272.06439	0.5
273.03897	10.0
274.04327	0.5
275.05490	7.5
275.08646	0.7
283.02322	1.1
284.03137	3.6
285.03925	14.9
285.07300	1.0
285.12360	0.6
286.04324	0.5
287.05423	0.9
288.05981	0.5
295.10770	1.5
298.04657	0.7
299.01834	5.0
299.05487	6.8
301.03387	35.7
302.03860	0.9
303.04956	90.1
304.05304	3.7
313.03470	0.6
313.08383	0.5
313.11777	3.9
315.05002	1.0
316.02060	0.6
316.05658	15.5
331.04401	16.5
331.08041	100.0
331.12259	6.6
332.04913	0.7
332.08365	2.3
345.09702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80146	1.1
54.24172	1.1
55.01849	3.6
55.05504	37.7
57.87895	1.2
64.97906	1.2
65.10168	1.3
65.51076	1.2
67.05497	16.2
69.03404	4.4
69.06737	1.1
69.07059	7.2
71.37276	2.3
71.70546	1.2
79.05489	12.7
79.65027	1.6
81.03409	2.0
81.07055	14.2
83.04979	3.3
83.08614	32.3
83.92606	1.1
84.08952	1.1
85.06553	1.2
91.05479	4.2
93.07032	6.9
95.04975	1.7
95.08586	4.1
97.10158	58.2
98.10516	1.7
98.84814	1.2
98.98454	85.3
99.08048	1.8
105.07014	3.6
107.08584	17.8
109.10144	5.1
111.08106	1.7
116.99495	2.0
117.06989	1.7
119.08576	2.5
121.10132	2.5
125.09618	55.1
126.09919	1.6
133.10146	2.2
135.08038	4.9
135.11681	2.5
143.10661	3.4
145.10085	2.5
145.33830	1.2
147.11649	1.9
151.03862	2.8
151.11174	2.6
153.01848	5.4
153.09102	3.6
161.13202	2.2
163.14874	2.2
167.06923	1.3
170.11792	1.6
171.10149	6.4
174.99236	2.8
175.14769	2.0
176.98955	4.6
185.13365	1.3
189.11198	100.0
190.11513	2.4
191.27101	1.4
228.04027	1.8
259.20581	2.7
273.03894	2.4
276.85403	1.3
277.18661	2.7
277.21594	40.7
278.22006	1.6
295.22589	6.1
299.05249	1.8
300.05823	2.8
301.03369	8.0
315.04837	2.9
316.05664	5.2
330.07330	2.5
330.10632	5.4
330.30048	2.1
331.08054	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	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
55.05506	8.4
57.03422	1.3
57.07056	2.5
64.71809	1.0
66.54913	1.1
67.05501	7.4
69.07043	4.1
70.06561	2.4
71.05010	1.3
71.05745	2.8
71.08611	3.4
74.06066	3.2
74.95370	1.1
79.05491	7.0
81.07043	10.6
83.04965	2.3
83.08587	6.5
84.04507	1.3
85.06536	1.4
87.04459	7.6
88.07638	2.5
91.05482	4.7
93.07045	7.5
95.04929	1.1
95.08595	6.9
97.06513	1.6
97.10159	6.8
98.98454	100.0
99.08099	1.7
100.11237	1.9
100.98864	2.2
101.06028	1.9
105.07002	6.4
107.04970	1.1
107.08585	4.1
109.06557	1.2
109.10156	5.0
116.99501	4.4
117.06979	2.8
118.51458	1.2
119.08577	5.4
120.06560	2.6
121.10140	2.7
123.11699	2.6
125.09628	6.6
126.18346	1.1
131.08562	3.2
133.10126	3.8
135.08095	1.8
135.11661	3.0
139.11194	1.8
143.08537	1.6
145.10080	3.0
149.02324	3.2
151.11151	1.6
153.01788	8.4
157.10120	1.9
159.11678	3.2
161.13184	1.7
163.14807	1.7
164.04654	2.0
171.11719	1.4
173.13216	1.7
174.99225	4.3
175.03918	2.0
176.98871	5.9
183.11710	1.3
185.13184	1.3
189.09322	2.3
189.11200	8.6
189.16341	1.5
195.13792	2.5
200.04767	1.7
215.60063	1.2
217.04926	1.5
228.04195	2.3
229.19543	1.5
231.02843	3.3
240.03908	1.6
255.02974	1.3
256.03604	2.4
268.30002	1.5
269.04175	1.1
270.05075	1.3
270.27805	1.5
271.06018	2.3
273.03934	4.7
277.21677	6.4
284.03134	2.4
290.75653	1.2
299.05533	2.3
300.05844	4.2
301.03387	15.5
313.21570	3.9
315.04861	4.8
315.08353	2.8
316.05652	9.0
330.07126	4.1
330.10617	6.0
330.30621	9.0
330.33148	8.6
331.04529	1.5
331.08026	42.7
331.22696	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
57.03423	0.8
65.03944	0.3
67.12001	0.1
68.99769	0.4
74.63709	0.1
77.03928	0.1
77.22458	0.1
79.05466	0.3
82.00561	0.3
85.02897	0.3
90.88382	0.1
97.02861	0.2
98.20698	0.6
98.98463	0.2
105.03355	0.5
107.01311	0.2
107.04937	2.0
108.02072	0.2
115.05373	0.2
121.06451	0.3
125.02348	0.2
131.04901	0.3
134.03592	0.2
135.04413	1.6
137.02322	0.9
141.06938	0.3
147.03069	0.2
147.04407	0.3
148.05139	0.2
149.02251	0.4
149.05922	0.3
153.00632	0.3
153.01802	3.4
154.02174	0.2
155.04892	0.2
157.02820	0.4
157.06439	0.2
157.53168	0.1
160.05167	0.6
161.02373	0.7
161.05917	0.7
162.03036	0.5
163.03880	3.3
164.04599	0.5
169.06427	0.3
170.02074	1.3
170.03452	0.2
171.02449	0.2
171.04376	0.8
175.03865	0.2
176.04631	0.3
177.05440	0.7
178.02728	0.7
178.06219	7.6
179.03352	0.6
179.06422	0.2
183.02867	0.4
183.04378	0.3
185.05972	0.8
187.03879	0.4
188.04654	1.4
189.05409	0.5
191.06982	0.2
192.04095	0.2
196.65131	0.2
197.05937	0.5
199.03877	1.0
200.04660	1.9
201.05432	0.5
202.02592	0.5
203.03345	3.3
203.06973	0.7
204.04028	0.4
205.04845	0.7
205.25906	0.2
211.03883	2.0
213.05467	1.5
215.03328	0.3
216.04138	16.2
217.04822	2.2
222.00824	0.2
223.02185	0.2
227.03339	6.5
228.04111	2.1
229.04869	0.8
230.05484	0.2
230.10713	0.2
231.02965	2.2
231.06479	6.3
239.03387	0.2
240.04170	0.2
241.04929	4.1
242.05356	0.4
243.02852	0.7
243.06464	3.0
244.03629	10.6
245.04105	0.8
253.04828	0.3
255.02843	32.8
256.03387	2.2
257.04431	0.5
258.04913	0.3
259.05966	8.2
260.06152	0.2
268.03555	0.3
269.04398	6.4
270.04721	0.5
271.02454	0.8
271.05688	0.8
272.03119	3.4
272.05981	0.3
273.03891	0.2
281.04382	0.6
283.02328	4.4
283.05878	1.0
284.03009	2.9
284.06644	0.8
285.03741	0.5
286.04568	0.4
287.05450	21.6
288.05853	0.9
297.03876	2.4
298.04468	0.6
299.05350	1.5
300.02628	9.9
300.05795	1.3
301.03079	0.6
301.06702	0.3
302.07391	0.7
310.47803	0.2
311.05450	0.9
312.06183	2.4
313.06924	1.4
315.04929	100.0
316.05325	4.0
329.06387	1.2
329.73907	0.2
330.07251	60.4
331.07748	3.1
345.09872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25599	0.6
51.82294	0.6
53.03932	0.7
55.05503	10.2
57.03435	1.2
57.07063	5.1
65.03943	0.8
67.05496	15.4
68.88651	0.7
69.07057	18.7
71.08621	2.7
78.42951	0.8
79.05480	6.3
80.41921	0.7
81.07043	37.5
83.08607	10.3
85.06528	10.6
91.05453	1.4
93.07018	6.4
94.33879	0.7
95.04977	1.0
95.08590	33.4
97.02862	1.2
97.06522	3.5
97.10148	8.0
98.98450	100.0
99.08096	8.7
100.98875	1.1
105.07001	1.0
107.04933	1.5
107.08590	5.9
109.06490	0.7
109.10139	19.0
111.08065	0.7
111.11710	4.1
111.12836	0.8
116.99465	3.6
119.08531	0.8
121.10117	4.3
123.11689	11.7
125.13223	0.8
131.04892	0.9
131.08542	1.1
135.11684	4.3
137.02318	2.8
137.05920	1.1
137.13225	4.4
137.32642	0.6
139.11113	0.7
140.00969	0.8
141.06998	0.7
143.08580	0.8
145.10117	1.1
149.13222	5.0
151.14795	2.3
153.01881	0.9
154.64218	0.7
159.08034	0.8
161.09615	0.9
163.03868	1.2
163.14803	2.5
165.16347	1.8
167.07120	1.5
173.05988	0.8
174.99200	6.2
176.98875	3.2
177.05492	0.7
178.06235	1.7
179.17923	1.3
185.05954	0.7
187.07535	0.9
191.17847	1.2
200.04599	1.3
201.05272	1.1
201.09346	0.7
202.35274	0.8
205.19441	0.9
208.62692	0.7
211.03819	0.9
212.04659	0.8
213.05321	0.9
215.03357	0.8
216.04134	1.0
219.21083	1.5
225.05394	1.6
228.04066	1.7
229.05043	0.9
237.05304	1.3
239.03369	8.7
243.06509	3.5
244.03763	1.2
253.04980	3.0
255.02924	2.0
259.05994	1.0
263.27173	1.3
265.04681	1.0
266.05634	1.1
267.02847	1.6
267.06454	1.8
268.06989	0.7
269.04572	0.8
271.05905	5.9
274.61334	0.7
275.27362	2.2
281.04398	2.1
283.02576	1.1
283.05975	2.2
284.03040	2.4
287.05307	1.1
293.28302	5.3
295.05957	2.7
296.06659	2.7
297.03986	0.9
297.07501	1.9
298.04541	1.2
299.05463	25.5
300.02646	1.0
300.05765	2.7
311.29398	10.9
313.07086	0.9
314.04349	1.3
314.07739	9.5
315.04935	5.8
329.06433	7.9
329.10120	47.2
329.13702	2.5
329.21091	2.5
329.24655	0.9
330.07617	4.6
330.10461	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	329.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
61.65199	0.5
67.05494	3.3
68.63882	0.5
68.99776	0.8
69.07052	2.3
69.43429	4.8
69.43840	1.1
79.05482	1.2
79.70043	0.5
81.07043	5.3
83.08602	1.4
85.06531	0.7
86.90622	0.5
91.05469	0.8
93.07045	1.4
95.04921	0.6
95.08596	4.1
97.06507	1.1
97.10121	1.2
98.20728	1.0
98.98452	100.0
99.08101	0.7
100.94134	0.5
100.98858	0.7
105.07017	1.2
107.04974	0.7
107.08583	0.9
107.84490	0.5
109.10140	1.9
110.82372	0.6
111.11706	0.5
116.99488	4.1
121.10118	1.2
123.11696	1.4
125.06139	0.6
129.07028	0.5
131.08633	0.6
135.11668	0.5
137.05965	0.8
140.01082	1.0
151.07565	0.6
164.03073	0.6
165.01874	0.8
174.99214	7.6
176.98938	4.0
177.05513	0.9
178.06250	0.9
200.04617	1.0
216.04131	0.8
239.03412	3.2
243.06541	0.9
250.99960	1.0
252.99698	1.3
269.04404	0.8
271.03104	0.6
271.05887	2.6
272.06311	0.6
283.02435	0.7
284.03198	0.7
287.05460	0.9
293.24539	0.7
297.04132	0.7
298.04840	0.6
299.05478	10.8
300.06125	0.9
301.07297	0.9
314.04639	0.8
314.07776	3.2
315.04919	3.6
329.06519	5.1
329.10236	17.0
329.21136	1.1
329.24939	0.6
330.07214	2.4
330.10693	1.8
333.79025	0.5
334.18475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.0
55.95494	0.7
57.07064	5.2
60.15920	0.8
63.33548	0.6
66.21513	0.7
67.05501	15.3
68.90690	0.7
69.07060	18.4
71.08620	3.4
71.63459	1.0
79.05485	5.5
81.07047	37.9
83.04992	0.9
83.08604	10.8
85.06533	11.1
85.10166	1.8
90.34447	0.8
91.05509	1.1
93.07038	8.4
95.08595	33.6
97.06528	4.0
97.10155	10.3
98.98456	100.0
99.08078	8.0
105.07014	1.1
107.04945	1.0
107.08571	6.4
109.10144	22.7
111.08076	0.8
111.11724	3.7
116.99499	2.3
119.08596	0.9
121.06496	0.8
121.10123	3.9
121.50866	0.8
123.11703	12.8
125.13274	2.1
126.52362	0.7
135.11652	4.8
136.96379	0.7
137.02333	1.6
137.13237	4.2
145.06439	0.8
149.13257	5.2
151.14815	2.4
162.03186	0.9
163.14818	1.7
165.16368	1.0
167.07149	0.7
174.99213	7.4
176.98930	3.3
178.06255	1.2
179.17981	2.1
191.17894	0.9
200.04662	2.3
205.19571	1.2
216.04153	0.9
219.21094	1.0
225.05486	1.0
228.04282	0.8
228.79425	0.8
229.04697	0.8
239.03363	5.2
241.05037	0.8
243.06520	2.2
253.04919	2.1
263.27264	1.8
267.06494	1.2
269.04541	1.2
271.05939	3.7
275.27289	1.7
281.04532	0.9
283.05875	1.1
284.02963	1.6
287.05475	1.3
293.28348	6.3
296.06799	1.1
299.05481	16.1
300.02322	0.9
300.05734	1.4
301.06857	1.2
305.51001	0.9
311.29410	13.0
314.07819	6.2
315.04813	5.1
329.06592	3.4
329.10184	32.0
329.13947	2.8
329.21130	1.1
330.03461	0.7
330.07187	4.0
330.10669	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	329.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36705	0.9
55.05505	9.1
57.07067	5.4
59.78445	1.2
59.78753	0.9
63.73060	0.9
67.05499	14.1
69.07063	20.0
70.92813	3.3
71.04977	1.3
71.08622	3.2
79.05492	7.0
81.07052	35.5
83.08608	11.5
85.06534	10.5
91.05475	2.2
93.07046	5.1
95.08598	30.9
97.06519	1.2
97.10159	7.1
98.98458	100.0
99.08076	9.5
99.24091	1.0
100.98882	1.1
107.08610	6.7
109.10149	19.7
109.52264	0.9
111.11723	5.4
114.93321	1.1
116.99490	1.6
120.65601	1.0
121.10136	4.3
123.11701	10.1
125.13269	1.2
125.67522	0.9
135.11662	3.5
137.05948	1.4
137.13266	5.0
147.66658	0.9
149.13248	3.8
151.14809	1.9
153.12755	1.0
163.14842	3.1
165.16339	1.5
174.99187	7.7
176.98953	3.6
177.05460	1.2
177.16551	1.4
179.17879	1.0
217.04982	1.5
230.05724	3.6
239.03423	2.3
243.06523	1.3
253.04793	1.1
255.02853	1.4
269.04520	2.9
271.06036	1.8
284.03064	1.3
293.28302	5.5
299.05420	12.1
301.07040	2.1
311.29437	16.1
314.04382	2.1
314.07816	3.0
315.05029	2.5
329.06488	9.9
329.10226	17.4
329.24966	1.0
330.07147	3.4
330.10629	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	329.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36705	0.9
55.05505	9.1
57.07067	5.4
59.78445	1.2
59.78753	0.9
63.73060	0.9
67.05499	14.1
69.07063	20.0
70.92813	3.3
71.04977	1.3
71.08622	3.2
79.05492	7.0
81.07052	35.5
83.08608	11.5
85.06534	10.5
91.05475	2.2
93.07046	5.1
95.08598	30.9
97.06519	1.2
97.10159	7.1
98.98458	100.0
99.08076	9.5
99.24091	1.0
100.98882	1.1
107.08610	6.7
109.10149	19.7
109.52264	0.9
111.11723	5.4
114.93321	1.1
116.99490	1.6
120.65601	1.0
121.10136	4.3
123.11701	10.1
125.13269	1.2
125.67522	0.9
135.11662	3.5
137.05948	1.4
137.13266	5.0
147.66658	0.9
149.13248	3.8
151.14809	1.9
153.12755	1.0
163.14842	3.1
165.16339	1.5
174.99187	7.7
176.98953	3.6
177.05460	1.2
177.16551	1.4
179.17879	1.0
217.04982	1.5
230.05724	3.6
239.03423	2.3
243.06523	1.3
253.04793	1.1
255.02853	1.4
269.04520	2.9
271.06036	1.8
284.03064	1.3
293.28302	5.5
299.05420	12.1
301.07040	2.1
311.29437	16.1
314.04382	2.1
314.07816	3.0
315.05029	2.5
329.06488	9.9
329.10226	17.4
329.24966	1.0
330.07147	3.4
330.10629	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	329.1014
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
55.01867	0.5
55.05511	0.5
63.28689	0.4
64.33214	0.4
67.05491	1.2
69.03428	0.4
69.07046	0.8
69.53729	1.5
69.54166	2.0
79.05457	1.2
81.03404	0.4
81.07043	0.9
83.08615	0.4
85.02863	0.4
91.05457	1.5
93.07018	0.7
95.04897	1.1
95.08590	0.7
97.06525	1.8
98.98449	78.3
100.98861	0.5
103.05435	0.6
105.07023	0.8
107.04916	0.6
109.06508	0.9
109.10142	0.8
116.99513	2.0
119.04887	0.3
120.55717	0.4
121.06458	1.0
121.10143	0.6
123.00755	1.0
123.04369	0.6
125.02366	0.6
131.08575	0.5
133.02831	2.8
135.04321	0.5
135.08020	1.0
137.02289	2.4
137.05949	8.2
138.03099	0.7
140.00993	0.9
145.10060	0.4
148.05162	15.9
149.05957	3.0
151.00186	0.4
151.07533	1.0
152.01003	3.0
153.01810	8.3
161.05954	1.5
162.06746	3.1
163.03854	1.3
163.07518	0.9
164.08315	1.2
164.24155	0.4
165.05528	0.5
166.02582	1.9
167.03473	0.7
169.01309	0.7
170.02095	1.8
174.99170	6.0
175.07518	0.5
176.04642	0.4
176.98874	2.5
177.05449	0.5
178.02608	0.9
178.06197	0.8
184.03629	1.3
184.05162	0.4
187.07510	1.1
191.03323	0.6
191.06949	2.3
193.04987	0.8
193.10031	0.4
198.06787	0.7
200.04619	0.8
204.26105	0.4
211.03845	0.6
212.04875	0.4
213.05417	0.6
215.06937	1.1
216.04070	0.7
226.06137	0.5
227.06999	1.1
228.04147	0.8
229.04829	0.8
239.03372	3.8
243.06526	3.0
252.99634	0.6
253.04887	1.5
254.05641	0.5
255.02831	1.1
255.06441	1.0
256.03564	0.7
267.02853	0.8
267.06503	0.8
268.03577	1.0
268.07324	0.5
269.08017	2.8
269.10681	0.5
270.05106	0.7
271.05954	7.1
273.07565	0.6
273.11041	0.9
281.04407	1.0
282.05075	2.6
283.02643	0.7
283.05939	2.7
284.03116	1.2
286.08145	0.9
287.05310	0.5
297.04166	0.7
297.07327	1.9
298.04599	1.4
299.05441	16.1
300.05936	0.5
301.07056	1.4
313.03635	0.6
313.07071	1.0
314.07791	35.8
315.04895	2.3
315.08221	1.5
329.06656	6.0
329.10123	100.0
330.07074	1.8
330.10458	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	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
67.05503	1.1
69.07051	2.0
69.44738	0.5
69.86880	0.5
75.97517	0.5
79.05502	1.2
80.41246	0.5
81.07034	2.9
83.08583	0.9
91.05464	1.7
93.07040	1.6
95.04941	0.6
95.08601	3.6
97.06528	1.4
98.98455	100.0
99.08036	0.6
105.07034	0.9
107.04942	0.9
107.08553	0.9
109.10127	1.7
111.50733	0.5
116.99500	3.5
121.06521	1.0
121.10174	0.9
123.04441	0.7
123.11682	0.9
137.02283	0.7
137.05965	2.5
140.01070	1.2
147.11569	0.5
151.07535	1.5
155.16197	0.7
157.10117	0.7
159.11699	0.6
163.03888	0.6
171.11469	0.6
174.99232	6.8
176.98880	3.0
178.06288	1.2
216.07440	0.6
228.04156	0.7
239.03264	3.8
243.06450	1.4
248.19228	0.5
252.99692	0.7
253.04861	1.1
255.02922	0.7
267.06522	0.5
271.06033	2.8
273.11285	0.6
281.04257	0.7
283.02292	0.5
283.05859	0.8
284.03012	1.5
286.08191	0.7
297.07593	0.8
299.05447	11.9
300.05850	1.2
314.07758	4.9
315.05035	2.6
315.08182	1.0
315.88239	0.5
329.06531	2.2
329.10135	22.1
329.20837	0.9
330.07111	1.3
330.10501	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	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.85665	0.3
57.14303	0.3
67.05499	0.4
68.99788	0.4
69.07051	0.5
69.54067	3.1
79.05476	0.4
81.07040	0.7
83.08624	0.5
90.92596	0.4
93.07014	0.4
95.08591	0.9
98.20764	0.7
98.98456	8.4
105.03426	0.4
107.04939	0.8
110.70647	0.4
116.99469	0.5
121.02856	0.5
132.05716	2.1
133.80101	0.4
137.02328	9.7
137.03365	0.7
139.22638	0.3
141.00101	0.4
160.05173	0.7
162.03058	0.5
163.03865	1.7
167.06984	1.1
173.43179	0.3
174.99318	0.4
177.05429	0.7
178.06252	1.3
181.06435	0.8
183.08020	0.5
195.07982	0.4
197.05934	1.7
200.04695	1.3
201.05388	2.5
203.35147	0.4
210.06770	0.9
211.03906	0.6
211.07483	1.2
213.05409	1.5
215.03302	0.4
215.06982	0.6
221.05807	0.4
223.07451	0.8
225.05443	4.2
226.06213	0.9
227.06998	1.0
228.04140	1.4
229.04903	3.2
237.05505	2.8
238.06169	1.0
239.03349	3.3
239.07008	5.8
240.04190	0.6
240.07785	1.8
243.06548	1.9
250.06158	0.5
251.07057	1.2
252.04089	0.6
253.04926	8.0
254.05693	0.8
255.06493	3.6
265.04987	3.9
266.05731	3.1
267.02951	2.8
267.06500	9.4
268.04303	0.6
268.07269	3.6
269.04437	0.7
269.07986	1.1
270.05188	1.1
270.08719	0.5
271.05951	4.1
278.05789	0.5
279.06546	0.7
281.04416	6.4
282.05222	1.6
283.05988	6.7
284.03146	1.0
284.06287	0.4
285.07538	2.8
295.05975	10.7
296.06760	9.7
297.07547	2.4
298.04712	1.2
298.08331	3.0
299.05469	18.6
300.05762	0.6
301.10495	0.4
313.07092	3.3
314.04431	0.3
314.07803	7.0
320.23404	0.4
329.10156	100.0
330.10501	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	329.1011
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.23479	0.2
54.56474	0.2
57.03408	0.4
60.33476	0.3
65.36208	0.2
71.13754	0.7
75.20051	0.3
91.98620	0.3
107.04930	1.8
123.04362	0.3
124.30505	0.3
135.04340	0.7
137.02313	4.9
141.06956	0.3
147.04262	0.5
149.05890	0.3
161.05925	0.4
162.03093	0.7
162.06795	0.3
163.03865	2.8
167.03334	0.8
167.06985	0.9
176.04663	0.3
177.81239	0.3
178.06213	4.2
184.05104	0.6
187.03827	1.1
187.07436	1.1
195.04341	1.2
197.05917	0.8
200.04637	7.7
201.05392	1.1
204.04106	0.7
211.03868	2.0
212.04608	1.5
213.05391	0.4
215.03435	1.4
215.06963	1.2
223.03780	0.3
225.05460	2.5
227.07053	2.2
228.04149	5.6
229.04913	1.0
237.05405	0.4
239.03343	30.5
240.04037	0.8
241.04776	0.6
243.06494	9.6
253.04892	6.2
254.05295	0.3
255.02686	0.3
255.06401	1.0
256.03635	2.6
265.04913	1.2
267.02835	3.9
267.06445	1.5
268.03577	1.6
268.07285	0.8
269.04114	0.7
270.05151	0.6
271.05963	20.7
272.06366	0.3
281.04370	5.2
282.05173	0.5
283.05966	2.6
284.03094	8.9
285.03915	0.6
285.07455	1.1
295.06036	1.0
296.06656	1.7
297.07446	2.4
298.04675	0.4
299.05444	79.9
300.05765	1.3
301.10718	0.3
313.06998	1.5
314.07785	25.9
315.08157	0.4
329.10129	100.0
330.10434	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	329.1016
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
55.05510	0.2
58.71499	0.2
63.47717	0.2
67.05486	0.6
68.99777	0.5
69.07083	0.4
70.29171	0.5
70.29561	0.6
75.91245	0.3
79.05487	0.8
79.99508	0.3
81.07027	0.8
91.05426	0.3
93.07058	0.3
95.01309	0.5
95.04942	0.3
95.08602	0.5
96.79066	0.3
97.06528	0.3
98.98458	24.0
104.35083	0.2
105.07011	0.7
107.04954	0.3
107.08571	0.4
109.06480	0.6
109.10176	0.3
110.61847	0.3
111.04428	0.3
116.99528	0.6
117.07076	0.3
119.04969	0.3
120.05793	0.2
121.06477	0.5
122.03639	0.4
123.00775	1.0
123.04468	0.3
124.01612	0.3
131.08517	0.3
133.02846	5.8
135.08006	0.6
137.05957	11.3
138.03101	0.7
148.05176	44.8
149.05623	0.4
151.03899	0.3
151.07491	0.6
152.01065	0.3
161.05966	0.8
162.03085	0.3
162.06737	0.6
163.03880	0.5
163.07513	0.8
165.05475	0.6
165.67532	0.2
167.03400	1.5
169.01334	1.3
173.38834	0.2
174.99173	1.9
176.98915	0.8
177.05443	0.3
178.02568	0.5
178.06299	0.4
184.03650	3.6
184.05168	0.4
187.07507	0.5
191.03386	0.3
191.07048	0.3
192.03740	0.4
193.04907	0.9
193.08746	0.3
200.04553	0.2
207.30675	0.2
212.04626	0.3
215.07042	0.6
225.05484	0.4
226.06154	0.6
227.06972	0.8
228.04214	0.3
239.03378	1.2
241.08537	0.3
243.06505	1.4
253.04810	0.3
254.05743	1.2
255.06462	0.9
257.08084	0.4
257.16675	0.3
267.02786	0.3
269.08026	1.1
271.05988	3.8
273.11224	2.7
281.04395	0.4
282.05234	2.4
283.06067	2.1
284.03125	0.6
285.07574	0.7
286.08322	1.5
297.07559	7.8
298.04730	0.4
299.05475	4.2
301.10788	0.7
313.07013	3.1
314.07806	16.4
315.04950	0.5
315.08185	0.4
329.10147	100.0
330.07028	0.4
330.10547	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	329.1008
Annotation	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.80602	0.3
53.18190	0.4
56.31958	0.3
57.03467	0.6
60.36488	0.3
67.05513	0.5
68.56573	0.4
68.99809	0.5
71.58485	0.8
78.12195	0.4
79.05509	0.5
81.03423	0.6
81.07074	0.8
91.05511	1.1
93.07051	0.8
97.02902	0.7
98.98453	49.6
100.07223	0.4
103.05479	0.6
105.07032	0.7
107.04944	2.6
109.11552	0.4
109.36608	0.4
116.99540	1.2
121.02863	0.9
123.04424	1.0
131.04926	1.0
132.05370	0.5
133.06517	1.0
133.95782	0.4
134.03648	0.5
134.06827	0.5
135.04454	1.2
137.02318	2.9
137.06000	2.6
138.06335	1.4
139.06535	0.7
143.08490	0.5
147.04425	1.3
153.01852	1.6
153.05559	0.4
153.06972	0.4
159.08070	0.4
161.02386	0.7
161.05981	0.7
162.03094	0.7
163.03882	2.9
163.07529	1.1
164.07935	1.2
165.08092	1.0
167.03391	0.8
167.07062	1.5
169.06480	0.5
170.02142	1.7
173.05968	0.7
174.99219	4.0
176.98969	1.5
177.05437	0.6
178.06239	4.1
184.05190	0.5
185.05969	0.6
187.03967	0.6
187.07632	0.7
195.04344	0.7
197.06007	0.7
200.04723	4.5
201.05440	1.6
204.04137	0.5
211.03873	1.0
212.04814	1.1
213.05380	0.7
215.03381	0.9
215.07088	1.1
216.04219	2.9
220.58759	0.4
221.60677	0.4
225.05424	1.8
227.03406	1.0
227.06963	2.0
228.04128	3.7
229.04915	1.3
231.06549	1.1
237.05338	0.5
239.03355	19.3
240.03911	0.7
241.04919	1.4
243.06529	6.2
244.03606	2.0
252.99811	0.5
253.04988	4.1
255.02867	6.0
255.06601	0.9
256.03540	2.0
257.04382	0.5
259.05954	0.8
265.04922	1.1
267.02890	2.9
267.06421	0.9
268.03589	2.1
268.06531	0.4
269.04388	2.4
269.07996	0.7
270.05316	0.5
271.05984	15.9
272.06360	0.4
273.07431	0.4
281.04355	3.9
282.05072	0.8
283.02786	0.5
283.05960	2.5
283.08810	0.5
283.13174	0.4
284.03134	7.3
285.03937	0.7
285.07379	0.9
286.04892	0.4
286.08597	0.5
287.05481	3.6
295.05750	0.5
296.06735	1.4
297.04257	1.0
297.07550	2.1
298.04706	1.0
298.08136	0.4
299.05463	67.6
300.02515	1.4
300.05881	1.7
301.07028	1.1
308.60126	0.4
311.12723	0.7
312.06049	0.5
313.07013	1.7
314.04440	1.2
314.07785	24.3
315.04944	17.9
315.08185	1.1
329.06580	8.9
329.10126	100.0
330.07217	12.0
330.10587	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.065
Annotation	4,2'-Epoxy-5,4'-dihydroxy-7,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
54.79268	0.4
55.05503	0.5
67.05489	0.6
68.99769	1.2
69.03413	0.5
69.45216	3.5
71.04994	0.6
79.05474	0.4
81.03413	0.6
81.07053	0.7
91.05475	0.8
93.07036	0.7
95.04965	0.6
95.08594	0.6
97.02876	1.3
97.06511	0.5
97.42828	0.5
98.98453	43.7
100.98847	0.6
105.07029	1.0
110.03667	0.8
115.05418	0.7
116.99503	1.3
121.02798	0.6
121.06474	0.6
121.10097	0.7
123.04440	0.8
128.06226	1.0
129.07037	0.5
131.08549	0.7
133.06479	0.5
134.03610	0.5
137.02338	3.3
137.05945	2.9
138.06673	0.6
139.05431	0.5
144.05727	0.5
145.06512	1.3
147.04321	0.6
149.02385	0.5
149.05933	0.7
153.01807	6.4
153.05426	0.5
160.05188	0.5
161.06020	0.8
162.03108	1.7
163.03899	1.1
168.05690	1.4
169.06488	1.2
170.02058	0.6
171.04410	1.2
173.05975	1.7
174.99199	3.3
175.07623	0.8
176.98933	2.0
178.06264	0.8
181.06499	0.5
183.06517	0.5
183.07979	0.5
184.05162	1.0
185.05972	1.1
187.03914	1.4
187.07545	0.9
188.04587	0.5
196.05217	0.4
197.05994	1.7
199.03905	0.6
199.07600	0.7
200.04681	1.6
201.05472	3.4
202.06177	1.3
211.03943	0.8
211.07523	0.8
212.04715	0.7
213.05431	4.1
214.06226	1.0
215.03397	1.6
215.06943	0.8
217.08643	1.6
225.05446	0.7
227.03455	1.8
227.07108	1.6
228.04138	1.7
229.04883	5.3
229.06546	0.4
230.05698	2.4
239.03352	2.9
240.04164	1.7
241.04887	3.4
242.05750	1.9
243.02875	3.3
243.06448	1.0
245.08058	12.7
246.08382	0.6
253.04956	0.7
255.02837	7.6
255.06657	1.0
256.03552	2.0
257.04404	6.6
257.08066	1.3
258.05164	4.2
267.02908	2.0
268.03552	2.2
269.04428	4.9
270.05182	5.0
271.02606	2.3
271.05655	2.3
273.07547	11.7
273.10416	0.8
274.07983	0.7
283.02341	27.6
283.05652	1.1
283.13263	0.6
284.03082	2.5
285.03925	7.1
285.07584	1.6
286.04593	2.7
295.02405	1.5
296.03052	3.0
297.03876	1.5
297.07693	0.5
298.04675	36.4
299.01932	1.3
299.05353	8.8
301.03680	0.8
301.07010	20.2
302.07559	0.5
311.05609	0.9
311.12747	1.1
313.03397	13.4
313.06735	0.7
314.04092	4.5
314.07828	2.8
315.04993	1.3
329.06555	100.0
329.10129	13.8
329.14130	3.1
330.06918	6.8
330.10657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81174	0.5
57.03429	1.3
60.35172	0.4
65.03921	0.5
67.05482	0.4
68.99781	0.8
69.62576	3.1
70.58588	0.4
75.78186	0.4
79.05489	1.1
85.02901	0.6
92.02567	0.4
93.07033	0.5
95.01374	0.5
95.04967	0.7
97.02879	0.5
98.98454	35.8
105.03384	0.8
107.04945	1.8
108.02044	0.4
109.39713	0.4
115.05457	0.5
116.99496	1.0
131.01247	0.5
131.04890	0.5
135.04401	2.3
135.43382	0.4
137.02336	0.9
141.06961	0.6
147.04549	0.5
151.03905	2.8
157.06487	0.9
159.04407	0.6
161.02376	1.4
163.03844	1.0
164.04587	0.5
167.03426	3.8
167.04733	0.8
170.03606	0.8
171.04375	0.5
171.08058	0.6
173.05919	0.7
174.06776	0.5
174.99207	2.0
176.98929	1.3
178.06230	1.0
184.05147	0.8
185.05980	1.4
187.03853	4.7
188.04689	0.8
189.01645	0.5
197.05940	0.7
198.03148	0.7
199.03934	0.9
200.04681	1.6
201.01924	0.5
201.05478	1.8
202.02554	2.8
202.06181	3.9
203.06966	1.6
210.03137	1.6
212.04678	1.1
213.05388	2.1
214.06210	0.9
215.03389	3.8
216.04172	1.9
217.04913	4.2
217.08571	1.1
219.06458	0.6
225.05495	1.5
226.02675	3.7
227.03337	1.2
227.07018	1.5
228.04173	1.4
229.04903	1.1
230.05701	20.4
231.06473	2.2
239.03394	5.7
240.04106	1.5
241.04913	6.1
242.05603	2.8
243.02843	7.7
243.06390	2.7
244.03481	0.8
245.04471	1.8
245.08171	1.1
253.05020	1.7
254.02043	4.5
255.02870	1.2
255.06529	1.2
256.03653	0.7
257.04428	1.7
257.08002	1.3
258.05225	15.4
259.05817	0.8
265.04993	0.6
267.02872	0.8
268.03580	1.5
269.04416	24.2
270.04932	1.5
271.02484	3.6
271.05927	4.2
273.07544	8.5
281.04410	1.0
282.01553	1.2
283.02386	1.1
283.06012	1.3
284.03125	1.8
285.03928	1.1
285.07053	0.5
286.04657	8.7
287.05261	0.7
296.06635	0.7
297.03912	4.4
297.07114	0.8
298.04773	2.2
299.01923	1.7
299.05435	18.7
299.08865	0.9
301.07010	21.5
302.07458	0.7
311.05371	1.2
311.12747	0.6
313.06998	0.7
314.04169	14.2
314.07831	6.6
329.06516	100.0
329.10178	29.5
330.06943	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	329.065
Annotation	4,2'-Epoxy-5,4'-dihydroxy-7,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
50.59086	0.4
54.17056	0.4
65.03912	0.4
67.05463	0.7
68.75945	0.4
68.99782	0.9
69.07050	0.9
79.01826	0.6
79.05479	0.5
81.07043	0.9
83.89734	0.4
86.16457	0.4
91.05468	0.8
93.04527	0.4
95.08590	0.7
97.02876	0.5
98.20670	0.9
98.98454	31.8
107.01303	0.6
107.08568	0.5
114.20332	0.4
116.99479	0.7
121.06547	0.4
121.10076	0.4
123.04414	0.7
123.11669	0.5
134.03627	1.0
137.02339	3.3
137.05927	1.2
139.05341	0.5
141.06966	0.6
143.04909	0.5
145.06448	0.5
147.04362	0.5
149.05986	0.5
153.01785	5.1
153.06949	0.7
155.04855	0.5
156.05768	0.5
157.06468	0.5
160.05196	0.7
161.05940	0.6
162.03113	1.6
168.05696	1.1
169.06480	0.8
170.02103	0.8
173.05969	1.3
174.06783	0.8
174.99242	2.2
175.07538	0.8
176.98932	0.8
184.05164	1.4
185.05942	1.3
186.06593	0.6
187.03893	1.6
188.04619	0.5
189.05443	0.5
193.04944	0.6
195.04445	0.7
196.05176	0.7
197.05919	1.4
200.04556	1.0
201.05440	2.6
202.06213	1.5
203.52737	0.4
211.03831	0.8
212.04684	0.9
213.05437	6.1
214.06108	1.2
215.03412	1.3
217.04910	0.4
217.08493	2.6
225.05362	0.5
227.03336	1.7
227.06952	0.9
228.04160	1.1
229.04924	5.0
230.05640	2.3
239.03261	0.4
240.04210	1.5
241.04898	3.6
242.05666	1.3
243.02910	3.9
243.05077	0.5
243.06422	0.7
245.08049	11.6
246.08295	0.6
255.02863	7.6
255.06473	0.7
256.03622	1.0
257.04419	8.4
257.08047	1.4
258.05200	4.6
267.02893	0.7
268.03629	2.4
269.04443	5.7
270.05215	6.0
271.02344	3.2
271.05969	0.8
273.07547	12.0
283.02347	30.7
283.05634	1.3
284.02768	2.0
285.03958	6.6
285.07327	1.2
286.04663	2.9
295.02332	1.8
296.03116	4.4
297.03931	1.6
298.04678	36.5
299.01764	1.6
299.05164	2.2
301.07019	21.2
302.07343	1.1
311.05594	0.7
313.03375	15.3
314.04147	4.7
315.05130	0.6
329.06516	100.0
330.06863	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	329.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81174	0.5
57.03429	1.3
60.35172	0.4
65.03921	0.5
67.05482	0.4
68.99781	0.8
69.62576	3.1
70.58588	0.4
75.78186	0.4
79.05489	1.1
85.02901	0.6
92.02567	0.4
93.07033	0.5
95.01374	0.5
95.04967	0.7
97.02879	0.5
98.98454	35.8
105.03384	0.8
107.04945	1.8
108.02044	0.4
109.39713	0.4
115.05457	0.5
116.99496	1.0
131.01247	0.5
131.04890	0.5
135.04401	2.3
135.43382	0.4
137.02336	0.9
141.06961	0.6
147.04549	0.5
151.03905	2.8
157.06487	0.9
159.04407	0.6
161.02376	1.4
163.03844	1.0
164.04587	0.5
167.03426	3.8
167.04733	0.8
170.03606	0.8
171.04375	0.5
171.08058	0.6
173.05919	0.7
174.06776	0.5
174.99207	2.0
176.98929	1.3
178.06230	1.0
184.05147	0.8
185.05980	1.4
187.03853	4.7
188.04689	0.8
189.01645	0.5
197.05940	0.7
198.03148	0.7
199.03934	0.9
200.04681	1.6
201.01924	0.5
201.05478	1.8
202.02554	2.8
202.06181	3.9
203.06966	1.6
210.03137	1.6
212.04678	1.1
213.05388	2.1
214.06210	0.9
215.03389	3.8
216.04172	1.9
217.04913	4.2
217.08571	1.1
219.06458	0.6
225.05495	1.5
226.02675	3.7
227.03337	1.2
227.07018	1.5
228.04173	1.4
229.04903	1.1
230.05701	20.4
231.06473	2.2
239.03394	5.7
240.04106	1.5
241.04913	6.1
242.05603	2.8
243.02843	7.7
243.06390	2.7
244.03481	0.8
245.04471	1.8
245.08171	1.1
253.05020	1.7
254.02043	4.5
255.02870	1.2
255.06529	1.2
256.03653	0.7
257.04428	1.7
257.08002	1.3
258.05225	15.4
259.05817	0.8
265.04993	0.6
267.02872	0.8
268.03580	1.5
269.04416	24.2
270.04932	1.5
271.02484	3.6
271.05927	4.2
273.07544	8.5
281.04410	1.0
282.01553	1.2
283.02386	1.1
283.06012	1.3
284.03125	1.8
285.03928	1.1
285.07053	0.5
286.04657	8.7
287.05261	0.7
296.06635	0.7
297.03912	4.4
297.07114	0.8
298.04773	2.2
299.01923	1.7
299.05435	18.7
299.08865	0.9
301.07010	21.5
302.07458	0.7
311.05371	1.2
311.12747	0.6
313.06998	0.7
314.04169	14.2
314.07831	6.6
329.06516	100.0
329.10178	29.5
330.06943	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	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
55.05506	53.4
67.05477	12.3
69.03414	7.3
69.07050	8.0
70.52298	7.3
70.52654	10.0
73.75592	3.9
78.23751	3.0
79.05488	25.8
81.07023	11.9
83.04939	3.8
83.08611	35.9
85.06519	4.0
91.05431	8.0
93.07016	14.5
95.08559	7.0
97.10159	76.2
98.98454	79.3
100.37658	3.1
105.07049	6.5
107.07930	5.6
107.08591	76.3
110.12558	3.3
117.06987	4.6
119.08547	4.2
125.09621	53.5
131.08595	3.8
133.10094	9.3
135.07988	6.1
143.10658	3.7
145.03656	3.1
145.10094	4.9
147.11697	5.1
153.09128	5.8
171.10155	4.4
174.75885	3.1
174.99217	4.7
180.72200	3.4
189.11195	100.0
239.03099	4.0
257.18924	6.7
275.20007	57.7
293.21088	4.2
299.05405	6.8
318.95749	3.4
329.10062	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
56.80361	0.8
67.05486	3.8
67.10707	0.9
69.07050	1.1
71.08633	0.9
79.05470	2.2
81.07048	4.4
83.08595	1.5
86.06804	0.7
91.05453	3.6
93.07019	3.7
94.07330	1.3
95.04949	4.6
95.08582	3.4
98.98451	100.0
100.07600	1.6
105.07038	4.2
107.08566	3.9
108.08896	1.1
109.10158	4.6
116.08141	1.0
116.99482	3.7
119.08580	2.0
121.06511	1.0
121.10125	1.5
122.06718	0.9
123.11665	1.8
133.10127	7.8
135.08072	0.9
135.11716	1.2
137.09615	1.4
140.01070	1.0
145.10094	2.5
146.10469	1.4
149.09610	1.1
151.11185	3.0
159.11642	1.3
169.12335	0.9
174.13750	0.8
174.99219	8.0
176.15039	1.0
176.98901	3.4
180.08920	0.9
184.12025	1.0
200.04593	0.9
229.74319	1.3
230.16476	0.9
230.24904	1.0
239.03284	1.4
252.99649	1.2
269.98547	0.9
271.05984	1.6
275.19971	3.0
293.21082	1.7
299.05478	5.5
310.22269	0.9
310.30923	5.1
314.07800	1.5
322.75696	1.1
328.23337	1.6
328.32056	2.1
328.35666	5.0
329.10135	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78668	0.7
52.50996	0.8
53.03931	0.7
55.05510	3.6
57.03411	0.9
58.22120	0.7
59.32683	0.9
65.05270	0.7
67.05494	9.1
69.03443	1.2
69.07058	2.5
71.04961	1.1
79.05482	7.5
81.07049	7.3
83.04988	1.0
83.08606	3.2
91.05484	5.3
93.07027	7.0
95.04942	2.4
95.08569	3.7
95.10277	0.8
95.70653	0.9
97.06544	1.2
97.10168	1.7
98.98454	100.0
105.07017	3.8
107.08579	6.5
109.10152	4.7
116.99477	2.4
117.07018	1.5
119.08561	2.7
121.10133	3.4
125.09648	1.8
129.06975	1.4
131.08514	1.6
133.10121	2.9
135.11687	1.0
137.09653	2.1
140.01021	1.0
145.10074	1.6
147.11650	1.5
149.09552	1.1
154.12292	1.2
159.11696	1.0
172.13292	0.9
173.11754	2.7
173.70067	0.7
174.99208	8.4
176.98927	3.2
189.11131	1.1
193.12215	0.8
211.13248	0.9
229.32535	0.9
275.20053	3.0
299.05371	3.9
314.07846	1.6
329.10217	6.3
333.02417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64480	2.2
55.05489	6.2
67.05506	13.2
69.07058	12.2
70.33947	9.5
73.03706	2.1
75.24755	2.2
76.04396	2.5
79.05479	9.8
81.07044	21.4
83.08595	4.0
91.05453	7.7
93.07029	9.2
95.04883	3.4
95.08619	5.9
97.06560	2.1
97.10106	2.3
97.34667	2.2
98.09652	7.6
98.98451	100.0
105.07014	7.1
107.08584	6.4
107.85878	2.2
109.06496	3.0
116.99461	4.6
119.08565	7.2
121.10156	4.6
123.08054	4.0
123.11740	2.7
131.08525	2.6
133.10078	7.3
133.84935	2.2
135.11629	6.1
147.11685	2.9
163.11107	2.5
174.99242	10.7
176.79669	2.2
176.98894	4.9
177.12753	2.9
181.12242	6.1
185.21010	2.5
195.13710	2.8
275.20044	8.5
299.05432	9.0
329.10126	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93549	0.6
55.05498	5.9
57.03424	0.8
58.67770	0.8
67.05494	10.0
67.46014	0.7
69.03399	0.8
69.07065	4.1
69.54568	4.5
69.54984	2.1
71.04971	1.4
79.05478	10.7
81.03387	0.9
81.07035	7.7
83.04965	1.3
83.08599	3.5
91.05469	7.1
93.07027	8.3
95.04947	3.1
95.08590	5.2
97.06487	1.3
97.10163	3.1
98.20782	1.6
98.98450	100.0
102.52052	0.7
103.05346	0.8
105.07009	4.5
107.04954	0.9
107.08567	5.9
109.06505	1.0
109.10128	4.3
111.08050	0.8
116.99490	2.0
117.06999	1.0
119.08555	4.5
121.10144	4.9
123.08043	1.3
125.09622	3.2
131.08575	1.9
133.10135	2.6
133.78111	0.7
135.08060	0.9
137.09602	2.0
139.11082	0.7
140.01126	0.8
145.10115	1.3
145.42310	0.7
147.11624	1.1
153.19679	0.7
155.10693	1.4
157.10126	0.8
159.11613	0.9
161.13280	1.0
172.13434	0.8
173.11711	3.1
173.13231	1.2
174.99203	7.2
176.98901	3.6
188.84825	0.7
189.11198	3.1
239.03426	2.4
246.60263	0.7
251.00085	1.0
257.18930	1.0
271.06021	2.0
275.19928	3.6
281.04651	0.7
284.03040	0.9
299.05408	7.4
300.05618	0.9
314.07895	2.4
328.26065	0.8
329.06577	1.5
329.10101	11.4
340.77225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05507	0.8
56.53862	0.5
56.57513	0.5
65.03915	0.5
67.05493	1.1
69.03422	0.9
69.07047	1.2
69.69882	1.3
69.70308	2.3
70.06586	3.8
72.04484	0.8
72.08136	4.1
73.02914	0.5
79.05493	0.7
80.57477	0.5
81.03401	2.5
81.07014	1.0
82.06566	2.7
84.04494	0.6
84.08150	0.7
85.02883	1.2
85.06527	0.5
86.09700	5.8
91.05457	6.2
93.07033	1.1
95.04949	1.3
95.08591	0.8
96.08134	0.6
97.01118	0.6
97.02879	1.4
98.02428	0.6
98.20785	0.7
98.98448	100.0
100.07605	1.4
100.98893	0.9
103.05455	1.3
105.07035	1.6
107.04955	2.6
107.57122	0.5
109.02836	3.3
111.04430	0.7
114.05509	0.6
114.63731	0.5
116.03465	0.7
116.07064	5.3
116.99479	4.2
119.04931	6.0
119.08585	0.6
120.08119	1.0
121.06457	0.5
124.07542	1.2
125.06039	0.5
127.03888	0.8
128.06255	0.5
128.07054	2.7
131.04916	3.0
133.06451	1.2
135.02596	3.4
135.04366	2.5
137.05949	9.1
138.05498	1.0
142.08644	0.7
145.02814	5.7
146.08224	0.5
147.04390	15.4
147.08028	0.9
148.04729	0.9
149.05969	1.0
153.00047	1.4
154.00809	20.2
159.04362	3.9
161.05948	2.9
163.02124	3.5
163.03864	6.6
165.03656	0.8
166.08621	1.2
167.01591	3.5
173.02310	9.6
174.99190	9.1
175.02304	0.7
175.03889	8.1
175.99545	0.7
176.98857	3.3
177.05443	2.8
179.01631	0.7
182.03940	3.2
184.09694	1.5
185.16512	2.3
187.03891	0.7
189.03731	0.6
191.01605	11.6
191.03389	32.7
192.02199	0.9
192.03792	1.1
194.00287	0.6
201.01781	2.6
202.10715	3.7
203.01576	0.5
205.04898	2.4
207.10106	0.9
209.02600	3.5
210.14938	1.1
211.07602	0.5
213.15999	1.2
219.01065	5.5
219.02905	11.3
219.04593	0.6
219.04987	0.8
219.36838	0.5
220.01756	0.7
221.02699	1.4
221.99799	0.9
233.02605	1.0
236.09871	0.5
237.02127	8.2
239.06943	0.6
240.07541	0.6
245.04526	0.9
247.00499	3.5
250.04614	0.6
251.00146	0.9
252.99715	1.4
254.09065	0.6
261.02271	0.9
265.01620	10.8
272.10092	0.9
283.02679	10.1
283.05743	1.0
293.04767	1.2
300.09494	1.2
301.07053	0.6
311.05777	56.2
312.06006	2.6
328.04932	1.1
328.08676	6.8
328.12784	0.6
328.14163	0.8
328.17633	0.9
328.21231	1.7
329.06516	1.5
329.10101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.6
55.01866	2.3
55.05508	6.8
57.03425	1.3
57.07061	2.3
67.05495	13.4
69.03407	2.0
69.07055	11.8
71.04986	1.7
71.08622	1.3
71.63689	1.3
73.06554	0.6
79.05495	7.4
80.24301	0.6
81.03416	1.3
81.07047	32.5
83.04947	0.9
83.08607	6.9
84.08117	0.7
85.06529	9.8
87.55209	0.8
87.94890	0.6
91.05474	3.7
93.07032	9.8
95.04932	1.3
95.08597	28.3
96.08967	0.8
97.02895	1.3
97.06532	2.6
97.10173	3.6
98.98457	100.0
99.08077	8.9
103.05453	2.8
105.07030	3.9
107.04944	0.8
107.08579	10.4
109.06493	0.9
109.10139	19.3
111.08060	5.6
111.11721	1.4
113.09646	1.0
116.99485	3.6
119.08566	2.5
121.06477	1.2
121.10126	7.5
122.03587	1.0
123.08039	0.7
123.11693	8.5
124.11975	0.6
125.09621	1.3
127.11148	0.7
131.04941	1.9
133.06468	3.3
133.10124	2.7
135.08002	1.0
135.11674	6.0
137.05954	13.9
137.13258	3.0
138.06320	1.2
139.11156	1.5
141.82436	0.6
147.04437	1.1
147.11681	1.3
149.13245	7.4
151.03873	0.6
151.07503	1.4
151.14763	1.2
153.12651	0.9
161.13264	1.3
163.07512	5.7
163.14830	4.2
165.06966	0.8
167.14340	1.0
171.13866	1.3
174.99207	11.0
175.07538	1.1
177.05458	1.2
177.16385	2.3
179.08629	0.8
180.02199	0.7
189.16547	0.7
191.17941	1.2
203.18098	0.9
217.19455	0.6
234.06688	0.9
245.22209	0.7
249.09248	0.8
251.00052	1.6
253.08502	1.0
265.25284	0.7
267.10068	0.8
269.08063	0.9
273.25671	1.5
277.08612	2.0
283.09659	1.0
291.26828	4.3
295.09537	1.1
295.13205	1.2
309.10706	1.2
309.27866	8.8
311.47119	0.7
327.04956	3.1
327.08582	2.9
327.12289	3.7
327.15585	0.9
327.25415	1.2
327.28857	6.4
328.29691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01855	2.5
55.05503	12.7
57.03423	1.5
57.07060	5.6
63.46000	1.1
65.65273	1.0
67.05494	25.3
69.03429	1.7
69.07062	25.4
71.04979	3.2
71.08614	2.3
71.66383	1.8
74.72165	1.0
79.05485	13.6
81.07048	65.4
82.07378	1.7
83.08612	13.9
85.06033	1.4
85.06541	20.0
91.05484	6.0
93.07038	26.3
95.04929	3.9
95.08596	55.6
97.06507	3.6
97.10152	9.1
98.61208	1.1
98.98456	100.0
99.08073	16.9
99.98454	1.1
100.11234	2.4
103.05462	1.6
105.07020	7.3
106.86662	1.2
107.04922	3.0
107.08582	22.1
109.06526	2.0
109.10152	33.1
111.08064	11.4
111.11694	3.0
113.09598	2.1
114.16060	1.0
116.99497	2.7
117.06983	1.2
119.08571	5.2
121.06496	1.9
121.10138	11.3
122.03633	1.7
122.14324	1.2
123.11698	16.5
125.09628	2.1
131.04895	2.6
133.02783	1.3
133.06480	3.2
133.10094	3.7
135.07991	1.7
135.11691	12.0
137.05957	17.5
137.13138	5.3
139.11263	1.4
145.06421	1.9
147.04427	1.6
147.11673	3.3
149.06020	1.2
149.13248	17.4
151.07497	2.6
151.14833	2.2
153.12669	2.2
161.13240	2.6
163.07556	6.6
163.14792	5.3
165.05391	1.3
165.16444	1.2
167.14328	2.5
171.13768	2.3
174.99207	10.2
175.07623	1.7
177.16353	4.0
183.08046	1.1
191.17955	2.3
195.06438	1.3
196.69348	1.1
209.19035	1.4
217.19562	1.5
239.02852	1.2
239.07156	1.8
265.25058	1.4
267.09720	1.3
273.25626	3.6
279.26868	1.3
283.06378	1.3
285.07709	1.3
291.26788	8.1
295.09314	1.6
309.27814	18.1
327.04993	1.8
327.08582	4.0
327.12054	4.3
327.15695	2.3
327.28915	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	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03935	2.9
55.01860	1.6
55.05492	8.5
57.03419	3.2
57.07055	4.1
65.00613	1.5
65.03944	1.7
66.13267	1.3
67.05497	18.4
67.93996	1.2
69.03421	2.1
69.07064	11.3
70.09015	6.0
71.05005	1.7
79.05481	12.6
81.07047	20.8
83.04958	1.7
83.08605	4.4
91.05465	27.9
93.07034	48.1
95.04961	50.5
95.08597	34.0
97.06511	11.4
98.98457	100.0
103.05450	2.6
105.04505	1.9
105.07018	40.3
105.07714	2.4
107.08581	24.4
109.06499	6.2
109.07155	1.4
109.10137	13.3
115.05429	2.4
116.99512	2.1
117.07015	11.6
119.08566	40.5
121.06482	12.0
121.10131	20.6
123.08056	6.5
123.11703	4.4
128.06216	3.9
129.07004	6.8
130.07751	3.8
131.08549	19.3
133.10114	29.2
135.08023	6.0
135.11674	6.6
137.09573	2.6
140.01013	1.6
141.06946	2.9
142.07777	7.6
143.08553	13.5
144.09312	4.2
145.06445	1.5
145.10112	21.8
147.08003	2.1
147.11653	11.7
149.09619	4.2
152.06180	2.2
153.06920	1.5
155.08527	5.2
156.09297	5.0
157.10117	18.3
158.10857	4.9
159.08101	2.4
159.11681	29.8
160.12234	1.4
161.09627	8.5
161.13278	3.8
169.10121	10.8
170.10806	2.5
171.11662	9.7
173.09656	2.2
173.13240	9.9
174.99200	9.4
175.14793	12.3
181.10150	3.2
182.10905	3.4
183.11705	8.3
183.13144	1.4
185.13237	6.8
187.11174	3.3
187.14807	9.4
189.16356	2.2
192.09367	2.0
193.10045	1.8
195.11673	4.9
196.12428	2.6
197.13222	7.2
198.13904	1.6
199.14775	7.8
201.16370	4.6
207.11653	2.0
209.13237	4.6
211.14760	5.9
213.16373	2.1
215.14343	2.2
217.15875	2.4
219.17491	1.5
221.13237	1.6
222.14018	1.4
223.14841	3.6
225.16267	2.4
229.15825	2.2
235.14842	3.4
239.17863	1.8
253.15884	2.1
291.21103	2.5
309.22098	5.1
327.07751	2.4
327.23132	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	327.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
56.05024	0.7
56.96553	1.7
57.03429	0.8
65.03909	0.4
68.05019	1.0
69.03422	1.3
70.06583	0.5
70.83942	1.0
70.84303	0.5
80.05000	1.8
82.06567	53.5
83.04962	0.4
83.06890	0.9
84.08136	0.9
85.02892	1.5
85.06567	0.4
85.56977	0.3
87.56541	0.4
91.05468	0.5
97.02847	0.8
98.98451	100.0
100.07599	2.4
107.04928	0.6
108.08103	1.0
109.02867	0.7
109.07632	2.8
110.06020	0.5
112.07597	1.0
114.85590	0.4
115.03928	0.4
116.98672	0.9
116.99482	3.1
119.04915	0.4
122.09627	0.8
127.03881	0.7
128.07056	77.6
128.98592	0.8
129.07401	0.8
131.55196	0.4
134.09647	1.0
135.09163	1.4
136.09914	1.0
140.01025	0.4
140.07007	0.7
150.05476	0.5
154.08580	0.7
166.07373	1.9
166.08617	0.7
168.10155	2.0
174.99203	10.5
180.08893	2.1
181.09688	15.8
195.11270	1.2
201.00566	0.7
236.12877	0.8
237.02776	0.4
249.12399	0.7
251.00021	1.4
257.05011	0.5
263.13641	0.4
281.14926	29.1
282.15326	0.8
309.14386	5.8
314.38275	0.5
327.15466	62.2
328.15799	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	327.1585
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03938	0.7
55.01856	1.6
55.05494	1.2
61.95051	0.5
65.03941	1.1
67.05489	2.0
69.03416	0.7
69.07070	0.8
71.38560	0.7
79.05481	3.9
81.07043	3.6
85.06558	0.8
91.05465	5.6
92.91168	0.7
93.07031	2.0
94.04161	2.2
94.06521	1.5
95.04977	1.5
95.08598	2.1
98.98453	72.5
103.05450	20.2
105.07018	8.5
107.04935	3.3
107.07320	1.4
109.06503	2.8
109.10154	0.9
115.05437	1.5
116.99492	2.7
117.06993	1.9
119.04979	1.2
119.08607	0.9
121.06487	5.4
121.10201	0.8
122.03639	7.4
122.09657	2.3
122.10473	0.7
123.04408	0.8
123.08067	1.0
129.06972	1.2
131.04907	24.4
131.05899	1.2
133.06473	35.6
134.06755	0.9
135.08035	12.1
135.11761	0.7
137.05957	100.0
138.06281	2.1
143.08502	0.7
145.06459	8.0
147.04384	0.9
147.08011	2.4
149.05949	1.8
151.07529	12.9
157.06482	4.1
160.05191	0.7
163.03856	2.5
163.07523	54.7
164.07892	0.9
171.08031	1.8
173.05911	1.0
174.99200	9.2
175.07530	3.1
177.09079	1.4
187.07552	1.4
189.09038	1.9
191.03325	4.0
194.07237	0.8
203.10626	2.0
207.08040	1.0
220.08685	0.7
235.11240	2.5
245.09613	1.3
248.08421	0.7
249.09071	0.9
251.00009	1.4
263.10733	3.9
277.08609	2.2
295.13275	9.8
327.08514	0.9
327.12161	1.7
327.15903	7.2
328.11847	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.0
53.03942	4.3
55.01857	5.3
55.05497	13.5
57.07060	11.3
65.03947	3.5
67.05500	37.5
69.03423	4.1
69.07055	23.2
71.44192	6.8
79.05482	26.1
81.03402	3.9
81.07044	36.8
83.04951	4.5
83.08611	5.0
85.06532	7.3
91.05465	53.1
91.05981	5.5
91.60640	3.6
93.06438	5.1
93.07031	95.8
94.07357	3.6
95.04959	100.0
95.08592	66.1
97.06528	22.3
98.98458	97.2
105.07014	77.5
105.07708	5.0
107.04918	4.3
107.08576	44.6
109.06512	20.5
109.10140	29.3
115.05457	5.4
116.99522	4.6
117.06976	22.6
119.08565	81.8
121.06477	20.8
121.10126	43.6
123.08049	15.3
123.11726	11.4
128.06212	9.7
129.07016	11.8
130.07796	6.2
130.66617	3.7
131.08560	34.3
133.06506	4.6
133.10118	48.6
135.08055	10.5
135.11662	14.2
137.09628	7.3
141.07005	4.8
142.07784	16.1
143.08539	26.1
144.09225	5.6
145.10109	57.4
147.11694	16.5
149.09602	6.8
153.06984	5.0
155.08536	7.2
156.09323	11.0
157.10127	37.5
158.10951	3.7
159.08098	7.0
159.11664	55.5
161.09590	20.2
161.13280	8.6
163.14716	3.6
165.06979	4.5
167.08524	5.7
168.09358	4.2
169.10103	15.8
170.10881	6.6
171.11607	19.6
173.09647	7.1
173.13258	24.9
174.99258	10.0
175.14836	22.5
179.08516	4.6
182.10924	5.3
183.11656	12.2
185.13197	13.2
187.11188	8.7
187.14781	20.3
193.10115	5.5
194.10843	4.0
195.11618	7.7
196.12526	4.6
197.13272	12.4
199.14835	11.1
201.16435	7.4
207.11867	4.9
208.12457	4.6
209.13243	10.3
211.14841	13.8
213.16374	5.4
217.15947	5.0
223.14795	5.5
225.12677	3.5
225.16324	10.5
227.14192	6.1
229.15817	6.3
233.03743	4.4
235.14680	7.9
253.19411	4.7
271.20618	3.7
291.21109	5.2
309.22086	10.7
327.07813	9.4
327.23111	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	327.0858
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
53.03932	0.5
55.01867	1.9
55.05515	0.4
57.03439	0.4
65.03920	0.9
67.05492	1.1
69.03410	1.7
69.07063	0.4
70.06577	0.9
71.04977	0.6
71.65874	0.5
72.08132	0.4
77.01592	0.3
77.03909	0.9
79.05504	1.9
81.03407	1.2
81.07051	0.6
83.01321	0.9
83.04974	0.5
84.04492	0.4
84.08127	0.7
85.02894	1.1
89.03887	0.4
89.05989	0.7
91.05464	1.9
93.03377	1.0
93.07042	0.4
94.04161	0.6
95.01292	0.3
95.04944	1.3
97.02871	1.1
98.98450	100.0
99.04440	0.5
103.05445	1.0
105.03392	1.8
105.07000	0.5
107.04930	1.6
109.02873	2.5
109.06470	0.6
110.28684	0.3
113.72427	0.4
115.05431	0.6
116.99477	4.3
117.06975	0.5
119.04929	1.7
120.08051	0.4
121.02861	2.0
121.06477	1.1
121.89127	0.4
122.03636	1.4
123.04409	2.0
124.07603	0.6
129.06979	0.8
131.01299	0.7
131.04910	2.3
133.02831	1.5
133.06453	0.6
133.08595	0.4
134.03604	3.6
134.04620	2.1
135.02975	0.3
135.04395	1.5
137.02310	1.1
137.05956	11.2
140.01082	0.6
141.06943	1.2
145.02773	0.5
145.06471	0.7
147.04373	2.4
149.02315	4.7
149.05936	3.7
150.03111	1.4
151.03882	8.8
151.05054	0.7
151.07495	0.5
152.06183	1.0
153.06969	2.3
154.07718	1.0
155.04901	0.5
155.08536	3.8
157.06421	0.7
159.04410	0.6
161.02313	7.2
161.05980	1.0
163.03886	1.0
163.07518	1.2
165.02263	1.3
165.05579	0.6
165.06961	9.4
165.09035	0.6
165.10263	0.8
166.07480	0.5
167.03389	9.4
167.04826	0.6
167.08530	1.9
168.04074	1.0
168.05672	1.6
169.06425	1.2
171.08037	0.8
172.05194	0.3
172.08867	0.4
173.05949	0.7
174.06676	0.7
174.99211	12.9
175.03873	1.5
175.07559	0.8
177.05435	1.3
177.06853	0.6
178.02565	1.0
178.07770	0.4
179.03358	9.8
179.08430	0.6
181.06444	2.9
182.04941	9.3
182.07208	3.0
183.04424	0.4
183.06480	0.4
183.08014	5.5
184.05260	0.5
185.05917	1.2
187.03729	0.4
187.07478	2.3
188.08260	0.3
191.03413	0.4
191.08182	0.4
192.05679	4.8
193.01382	0.5
193.06459	9.2
194.07248	2.0
195.02843	0.9
195.04675	0.5
195.06479	2.1
195.07932	1.6
196.05135	0.9
197.05904	2.0
197.09576	0.7
199.07455	3.7
200.08237	0.9
201.09166	0.7
203.03421	0.3
203.07108	0.5
205.04820	0.8
205.06474	1.2
207.02838	1.9
207.08105	0.9
208.02843	10.1
209.05969	2.4
210.06746	7.2
211.04204	0.4
211.07480	7.6
212.04636	1.1
212.08167	0.5
213.05463	2.9
215.07008	0.8
215.10771	0.4
220.05162	2.3
221.05951	9.9
221.08090	0.5
222.06680	1.7
223.07422	1.0
224.08144	0.8
225.05469	0.6
225.09042	4.0
227.06989	10.8
228.07750	1.7
231.08238	0.4
234.06889	0.4
235.07489	0.6
237.05441	3.9
238.06219	9.1
239.06972	5.9
240.04105	0.8
240.07719	1.9
241.04979	1.1
241.08456	0.6
242.09282	1.4
243.06487	1.3
243.10120	2.4
245.04359	0.5
245.31801	0.3
249.05418	4.4
249.09201	0.5
250.06183	0.7
251.00037	1.9
251.07040	0.5
252.07658	0.8
253.08556	27.2
254.05739	0.5
254.08922	1.2
255.06458	4.7
256.07297	4.7
264.07623	0.4
265.04898	0.7
265.08591	0.8
266.05682	4.6
267.06485	10.9
268.07040	0.6
269.08121	2.0
270.08716	0.8
271.09604	48.3
272.09976	1.6
277.05008	0.5
277.08621	0.4
281.08032	10.2
282.08481	0.5
283.05994	7.2
283.09158	0.4
284.06787	6.3
294.05179	1.4
295.06006	8.0
295.09314	0.8
297.07437	0.4
298.08386	3.5
299.09106	43.0
300.09375	2.1
309.07565	6.4
309.10934	0.6
310.07968	0.4
311.05389	1.7
312.06201	6.1
327.08572	72.2
328.08862	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	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.4
57.03421	1.3
69.03410	1.5
70.02988	1.0
70.03390	5.7
80.55000	0.9
84.61855	0.9
85.02898	2.0
88.19351	1.0
89.71294	1.0
97.02877	11.3
98.97575	4.7
98.98455	17.4
101.00883	0.9
109.02857	1.4
113.03466	12.8
115.93267	1.2
116.98618	3.9
119.01891	8.3
120.01968	2.1
128.66199	1.0
131.01869	1.3
134.99670	2.4
137.02960	2.1
142.03490	1.0
157.97737	1.0
160.04541	1.0
174.99245	1.6
176.98358	1.9
177.00938	13.4
178.01024	4.7
179.00716	3.2
183.06174	2.5
184.06190	1.7
200.98273	1.6
201.00928	1.6
201.07214	2.6
202.07300	1.6
215.46886	1.1
215.49278	1.1
217.04060	1.9
217.99098	2.1
218.03447	1.1
219.01962	22.5
219.03859	1.8
220.01991	6.7
221.01744	6.4
223.01639	3.2
223.98061	1.1
225.00916	2.3
234.99843	1.4
235.07765	1.1
236.00038	9.8
236.99864	4.6
241.98962	1.4
242.99747	1.6
243.01834	6.9
254.01096	4.3
256.96741	2.2
257.96744	1.8
258.96320	1.8
258.99921	3.5
260.00067	22.2
260.04349	2.2
260.99948	6.4
261.02979	81.8
262.03128	24.5
263.02917	4.0
265.99017	2.0
274.98273	1.4
276.92072	2.7
277.00937	4.5
278.01086	21.7
279.00735	9.5
282.99969	5.7
284.00049	58.5
284.04819	3.1
284.06540	3.2
284.96509	2.3
284.99796	21.9
285.04425	2.1
294.93188	2.1
301.00986	11.3
302.01123	100.0
302.97327	3.3
303.00824	43.2
303.04724	2.4
303.05554	1.9
308.98059	1.9
310.96237	1.7
311.46109	4.0
311.96027	4.1
318.93069	2.4
320.02213	6.3
320.46884	1.0
321.01950	3.1
325.02783	3.4
326.01718	5.7
326.06018	1.2
327.00937	2.0
344.02179	28.3
345.01901	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	326.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60420	2.2
53.03939	4.5
55.01853	5.5
56.96554	23.8
57.03204	2.3
57.03428	23.0
61.02628	2.9
61.02918	54.9
61.48376	2.1
69.03429	22.6
70.06573	5.3
70.98090	3.5
71.01328	4.1
71.04964	8.8
73.02905	10.6
74.75977	2.1
74.97579	2.3
76.93283	2.1
80.83658	2.2
81.03401	27.5
84.08115	7.7
84.96004	7.3
85.02892	42.8
86.03208	4.2
86.03667	5.6
87.04470	10.4
92.01241	2.2
96.01543	5.0
97.02886	15.1
97.96809	5.5
98.97576	26.1
98.98442	100.0
99.04435	8.0
100.07607	2.6
107.04984	2.7
109.02866	30.3
110.01245	7.6
110.97546	7.4
112.99107	2.6
113.02353	4.1
115.03941	5.4
115.97816	3.0
116.98583	12.0
116.99411	3.4
117.02061	10.5
118.00978	2.2
118.02795	2.8
119.01768	19.0
121.01664	5.8
126.02566	14.4
127.03904	18.7
128.02286	9.8
128.98564	7.4
130.08643	2.8
131.00133	6.4
131.01784	2.8
132.28517	2.7
133.04907	2.8
133.06441	4.5
134.23505	2.4
134.99620	5.5
135.03055	24.5
137.02855	2.9
138.05391	2.3
139.02556	2.7
140.98563	2.2
143.00137	9.1
143.01808	4.5
144.00735	2.6
144.03548	11.1
145.01535	2.4
145.04904	3.8
146.02307	3.0
146.53838	3.3
146.99603	6.6
149.01181	5.0
149.24149	2.3
150.01753	4.7
153.04103	2.9
155.00160	2.4
158.99654	6.0
159.04416	6.4
160.04944	2.4
161.01225	6.9
161.02914	3.8
163.55411	2.5
164.07100	2.7
168.01802	3.6
169.02573	6.8
170.99782	2.3
173.01189	5.6
174.99237	11.0
175.02711	2.9
176.01459	2.5
176.03325	3.6
177.00703	4.9
178.03137	8.3
182.03391	2.9
184.03015	2.7
189.00719	4.5
189.04050	4.4
190.03067	7.5
191.02228	5.5
193.00165	3.2
194.04378	5.7
199.03627	11.4
199.53722	2.8
201.00708	5.9
203.84955	2.2
204.02834	6.1
205.03633	3.1
205.05544	2.6
207.01712	2.8
207.05219	6.3
208.04175	13.2
210.54433	3.4
213.03392	6.1
214.06137	5.0
219.01729	6.9
219.54970	2.6
220.02252	3.9
220.04121	33.5
220.54305	7.4
222.03862	2.8
223.06506	8.1
229.04657	64.7
229.06630	4.2
229.54810	8.9
230.04564	2.7
232.06958	12.5
233.03223	2.9
237.02750	4.9
237.06172	2.7
238.05199	21.2
240.06136	3.3
240.55435	9.0
241.05515	2.9
241.55415	2.4
251.04279	15.1
254.07475	2.5
269.05405	38.9
287.06805	23.3
317.08084	8.2
319.03119	3.1
325.59467	3.0
326.11612	5.7
327.15442	4.1
337.04391	4.0
347.02719	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01869	5.9
55.05497	23.8
57.03427	5.1
57.07059	9.4
67.05492	39.1
69.03428	3.7
69.07058	48.9
69.32700	21.9
69.33128	11.6
70.00134	2.7
70.07318	2.7
71.04978	4.2
71.08614	4.5
74.42619	2.9
75.01295	2.7
77.03890	3.5
79.05483	35.7
81.03400	6.6
81.07046	100.0
81.17102	3.3
83.04975	5.6
83.08604	17.8
83.88721	2.9
85.06519	15.6
85.10263	3.0
89.03903	7.9
91.05458	28.7
93.07027	51.3
95.04951	9.3
95.08591	82.4
97.02900	5.3
97.06541	7.1
97.10145	9.8
97.57757	2.8
97.73187	2.8
98.20731	6.5
99.08061	7.6
100.69130	3.5
103.05468	4.3
105.03376	5.5
105.07030	28.2
107.04923	5.7
107.08569	33.9
109.06503	14.8
109.10147	50.5
109.14800	2.8
111.08040	6.9
111.11708	8.7
113.09633	3.9
117.03332	5.4
117.07008	5.0
119.04904	6.1
119.08549	19.9
121.06475	3.8
121.10123	38.2
123.08073	4.4
123.11688	24.6
125.09632	8.8
127.11156	3.5
131.04884	3.4
131.08546	11.0
133.02834	60.2
133.10124	16.6
135.04379	4.1
135.11674	30.6
137.05959	20.6
137.09596	9.8
137.13187	4.7
139.11147	5.3
145.02808	6.5
145.10089	13.5
147.04414	9.0
147.11632	18.8
149.06006	6.5
149.13206	23.1
150.06744	7.0
151.11198	3.3
151.14827	2.9
153.12790	4.1
158.03677	3.2
159.11652	8.5
161.13286	17.1
163.03891	8.1
163.07469	4.9
163.14813	9.7
165.05518	6.9
165.06898	5.6
165.12796	4.5
165.16362	3.7
166.07880	3.3
167.14253	3.4
168.76721	2.8
173.06012	4.7
173.13242	5.3
175.03900	7.0
175.14789	7.5
177.05437	6.4
177.06966	8.4
177.16338	8.1
178.97845	2.5
179.17888	3.6
186.03125	10.1
189.16327	9.0
191.17894	4.0
194.07256	8.1
196.24762	2.8
199.82610	2.9
201.05431	24.7
201.16338	3.0
205.06499	16.1
211.07578	4.5
221.05956	11.7
222.06778	12.2
233.05840	18.7
234.06528	7.3
236.08415	3.6
237.09004	9.3
247.07475	4.5
249.05521	9.1
250.06277	16.6
251.06799	4.2
264.07819	8.3
265.08524	24.1
265.25217	3.6
271.24197	11.5
277.05063	3.5
277.25229	5.2
278.05786	10.6
279.10278	3.3
289.18042	5.7
289.25211	23.8
292.07193	20.4
293.08038	22.4
294.08600	4.2
297.11105	3.7
301.30893	3.5
307.09637	35.6
307.26077	15.1
310.08414	6.6
325.07123	5.4
325.10730	47.5
325.14221	5.0
325.27417	14.5
326.10962	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	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03936	2.4
55.01870	2.6
55.05503	20.8
57.03418	6.5
57.07066	2.8
59.04990	2.2
65.03915	2.6
67.05492	39.0
69.03403	3.6
69.07059	67.1
70.06590	2.0
71.04984	3.2
71.08643	2.2
79.05482	33.4
81.07046	100.0
82.07397	2.1
83.04977	2.6
83.08601	14.7
83.55750	1.9
85.06541	18.0
90.01169	1.7
91.05467	24.7
91.41915	1.8
93.07028	52.5
95.04949	11.4
95.08591	80.6
97.06515	8.7
97.10146	10.9
98.21458	4.9
99.08084	8.8
103.03918	4.8
105.07019	32.1
107.07842	2.4
107.08576	46.3
109.06541	9.4
109.10143	48.0
111.08080	5.7
111.11697	10.0
113.09640	5.2
115.05454	2.8
117.03401	2.3
117.06947	4.8
119.04942	3.3
119.08581	24.4
121.06500	3.5
121.10126	28.3
123.04378	2.5
123.08047	4.8
123.11695	24.3
125.09664	4.2
129.06918	2.4
131.04906	2.0
131.08565	9.1
133.02841	15.5
133.10121	18.6
135.08043	3.2
135.11679	35.1
137.05956	10.9
137.09587	8.1
137.13263	6.6
139.11147	12.7
143.08565	3.8
145.02803	2.9
145.10103	18.0
147.04399	2.6
147.11684	23.3
149.05959	4.2
149.13242	22.5
151.07515	2.8
151.11189	3.3
151.14851	5.0
153.12732	9.8
155.10664	2.1
159.11690	11.4
161.05963	2.5
161.13228	13.3
163.03906	7.6
163.07378	1.8
163.11180	4.5
163.14775	9.1
165.05510	2.5
165.12747	5.1
167.14305	2.3
173.09599	3.4
173.13232	3.8
175.14853	6.6
177.06918	2.4
177.16367	5.2
179.17934	2.7
179.73706	1.9
186.03140	3.1
187.11185	8.9
187.14742	4.2
189.16399	7.7
191.10651	2.7
193.15666	2.3
194.07292	2.8
201.05435	6.0
201.16422	3.3
205.06476	7.1
205.12207	5.2
209.11696	2.7
215.10637	3.3
215.17935	5.7
221.05975	3.2
222.06689	4.7
229.26877	2.5
233.05774	3.6
233.18912	3.1
237.09048	4.3
250.06233	7.9
251.06985	2.9
259.24121	2.2
264.07678	3.1
265.08649	10.5
271.24219	13.7
277.25229	3.4
289.25186	20.3
292.07297	6.5
293.08066	12.5
295.26196	2.4
307.09619	13.5
307.14987	3.8
307.26248	16.6
325.07083	3.1
325.10529	13.5
325.16568	13.2
325.27444	10.9
338.44196	2.1
344.72226	2.0
344.98196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01870	2.6
55.05503	20.8
57.03418	6.5
57.07066	2.8
59.04990	2.2
65.03915	2.6
67.05492	39.0
69.03403	3.6
69.07059	67.1
70.06590	2.0
71.04984	3.2
71.08643	2.2
79.05482	33.4
81.07046	100.0
82.07397	2.1
83.04977	2.6
83.08601	14.7
83.55750	1.9
85.06541	18.0
90.01169	1.7
91.05467	24.7
91.41915	1.8
93.07028	52.5
95.04949	11.4
95.08591	80.6
97.06515	8.7
97.10146	10.9
98.21458	4.9
99.08084	8.8
103.03918	4.8
105.07019	32.1
107.07842	2.4
107.08576	46.3
109.06541	9.4
109.10143	48.0
111.08080	5.7
111.11697	10.0
113.09640	5.2
115.05454	2.8
117.03401	2.3
117.06947	4.8
119.04942	3.3
119.08581	24.4
121.06500	3.5
121.10126	28.3
123.04378	2.5
123.08047	4.8
123.11695	24.3
125.09664	4.2
129.06918	2.4
131.04906	2.0
131.08565	9.1
133.02841	15.5
133.10121	18.6
135.08043	3.2
135.11679	35.1
137.05956	10.9
137.09587	8.1
137.13263	6.6
139.11147	12.7
143.08565	3.8
145.02803	2.9
145.10103	18.0
147.04399	2.6
147.11684	23.3
149.05959	4.2
149.13242	22.5
151.07515	2.8
151.11189	3.3
151.14851	5.0
153.12732	9.8
155.10664	2.1
159.11690	11.4
161.05963	2.5
161.13228	13.3
163.03906	7.6
163.07378	1.8
163.11180	4.5
163.14775	9.1
165.05510	2.5
165.12747	5.1
167.14305	2.3
173.09599	3.4
173.13232	3.8
175.14853	6.6
177.06918	2.4
177.16367	5.2
179.17934	2.7
179.73706	1.9
186.03140	3.1
187.11185	8.9
187.14742	4.2
189.16399	7.7
191.10651	2.7
193.15666	2.3
194.07292	2.8
201.05435	6.0
201.16422	3.3
205.06476	7.1
205.12207	5.2
209.11696	2.7
215.10637	3.3
215.17935	5.7
221.05975	3.2
222.06689	4.7
229.26877	2.5
233.05774	3.6
233.18912	3.1
237.09048	4.3
250.06233	7.9
251.06985	2.9
259.24121	2.2
264.07678	3.1
265.08649	10.5
271.24219	13.7
277.25229	3.4
289.25186	20.3
292.07297	6.5
293.08066	12.5
295.26196	2.4
307.09619	13.5
307.14987	3.8
307.26248	16.6
325.07083	3.1
325.10529	13.5
325.16568	13.2
325.27444	10.9
338.44196	2.1
344.72226	2.0
344.98196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.0
52.45485	1.2
53.03932	3.3
55.01857	3.0
55.05499	22.2
56.96555	1.6
57.03412	5.4
57.07064	8.7
59.04993	1.6
61.02884	1.4
65.03922	2.3
67.05148	2.6
67.05493	41.1
68.81880	1.1
69.03407	5.8
69.07058	62.7
69.42513	11.6
69.71490	1.2
71.04961	4.8
71.08604	3.3
77.03915	1.3
77.04626	1.0
79.05479	33.8
81.03422	1.3
81.07043	100.0
83.04948	5.2
83.08607	17.8
85.02884	1.2
85.06523	17.2
85.10156	1.7
86.59084	1.1
89.03879	2.8
90.18760	1.1
90.48661	1.2
91.05463	24.0
93.07031	52.5
95.04954	14.9
95.08591	80.2
97.02880	1.8
97.06516	9.7
97.10162	11.1
98.20677	2.3
99.04433	1.4
99.08066	7.5
103.03913	4.1
103.05422	2.3
105.03395	2.1
105.07011	42.4
107.04941	1.5
107.08575	47.5
109.06496	9.8
109.09419	2.6
109.10139	42.4
111.08050	5.9
111.11697	13.4
113.09614	1.7
115.05396	1.9
117.03356	3.3
117.06995	4.1
119.04907	4.8
119.08566	23.6
121.06454	3.3
121.10126	30.3
122.03676	1.4
123.04355	1.4
123.08034	3.5
123.11691	19.5
125.08804	1.2
125.09623	4.6
127.07558	4.1
127.11155	1.7
129.05434	2.2
129.12750	1.2
130.07788	1.6
131.04904	2.8
131.08528	11.2
133.02837	27.7
133.06407	1.9
133.10114	19.8
135.04405	3.4
135.08054	2.9
135.11671	34.4
137.05960	15.0
137.09581	6.2
137.13188	6.7
139.11143	9.7
141.06982	1.3
143.08551	1.7
145.06412	1.8
145.10098	19.7
146.10432	1.5
147.04356	4.5
147.11668	24.1
149.05962	4.2
149.09589	2.2
149.13242	19.8
151.03888	2.5
151.07484	2.0
151.11156	3.7
151.14816	2.7
153.12749	8.5
155.10660	3.0
159.11656	11.6
161.05956	3.1
161.09674	1.5
161.13234	14.5
163.03909	8.1
163.07497	2.4
163.11165	4.5
163.14813	8.1
165.05484	3.2
165.06952	2.6
165.12750	6.0
165.16434	2.1
169.10129	1.4
171.07985	1.3
173.05937	3.4
173.09621	3.4
173.13298	5.8
175.03870	4.4
175.07544	2.4
175.14754	9.2
176.06119	1.8
177.05455	1.7
177.06935	2.5
177.12698	2.1
177.16344	3.4
179.14281	1.7
179.17853	2.1
186.03148	3.2
187.11205	8.9
187.14754	2.5
189.16364	7.4
191.10617	3.0
191.17863	1.6
194.07269	2.8
201.05438	8.5
201.16400	2.3
203.17944	2.1
204.59099	1.4
205.06404	8.1
205.12215	4.1
207.13820	1.4
209.11717	2.9
215.10611	6.4
215.17894	3.6
219.08015	2.1
221.05956	3.9
222.06717	6.1
233.05943	7.3
233.11546	2.3
237.09053	4.9
245.22478	1.7
247.07584	2.1
249.05392	3.3
250.06238	8.3
251.06958	2.7
251.12880	1.7
259.24252	1.3
264.07864	3.3
265.08551	8.8
266.09091	2.0
271.24216	10.6
277.04901	2.4
277.25244	4.1
278.05566	3.6
279.09915	1.4
281.17416	1.6
282.08527	1.6
289.25256	21.4
292.07321	5.9
293.08096	11.7
294.08493	1.8
295.26160	1.4
297.11154	3.7
307.09576	12.4
307.26227	17.5
308.09924	1.8
310.08118	1.5
325.06931	3.1
325.10602	16.4
325.16705	11.2
325.27359	10.7
326.10684	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01869	5.9
55.05497	23.8
57.03427	5.1
57.07059	9.4
67.05492	39.1
69.03428	3.7
69.07058	48.9
69.32700	21.9
69.33128	11.6
70.00134	2.7
70.07318	2.7
71.04978	4.2
71.08614	4.5
74.42619	2.9
75.01295	2.7
77.03890	3.5
79.05483	35.7
81.03400	6.6
81.07046	100.0
81.17102	3.3
83.04975	5.6
83.08604	17.8
83.88721	2.9
85.06519	15.6
85.10263	3.0
89.03903	7.9
91.05458	28.7
93.07027	51.3
95.04951	9.3
95.08591	82.4
97.02900	5.3
97.06541	7.1
97.10145	9.8
97.57757	2.8
97.73187	2.8
98.20731	6.5
99.08061	7.6
100.69130	3.5
103.05468	4.3
105.03376	5.5
105.07030	28.2
107.04923	5.7
107.08569	33.9
109.06503	14.8
109.10147	50.5
109.14800	2.8
111.08040	6.9
111.11708	8.7
113.09633	3.9
117.03332	5.4
117.07008	5.0
119.04904	6.1
119.08549	19.9
121.06475	3.8
121.10123	38.2
123.08073	4.4
123.11688	24.6
125.09632	8.8
127.11156	3.5
131.04884	3.4
131.08546	11.0
133.02834	60.2
133.10124	16.6
135.04379	4.1
135.11674	30.6
137.05959	20.6
137.09596	9.8
137.13187	4.7
139.11147	5.3
145.02808	6.5
145.10089	13.5
147.04414	9.0
147.11632	18.8
149.06006	6.5
149.13206	23.1
150.06744	7.0
151.11198	3.3
151.14827	2.9
153.12790	4.1
158.03677	3.2
159.11652	8.5
161.13286	17.1
163.03891	8.1
163.07469	4.9
163.14813	9.7
165.05518	6.9
165.06898	5.6
165.12796	4.5
165.16362	3.7
166.07880	3.3
167.14253	3.4
168.76721	2.8
173.06012	4.7
173.13242	5.3
175.03900	7.0
175.14789	7.5
177.05437	6.4
177.06966	8.4
177.16338	8.1
178.97845	2.5
179.17888	3.6
186.03125	10.1
189.16327	9.0
191.17894	4.0
194.07256	8.1
196.24762	2.8
199.82610	2.9
201.05431	24.7
201.16338	3.0
205.06499	16.1
211.07578	4.5
221.05956	11.7
222.06778	12.2
233.05840	18.7
234.06528	7.3
236.08415	3.6
237.09004	9.3
247.07475	4.5
249.05521	9.1
250.06277	16.6
251.06799	4.2
264.07819	8.3
265.08524	24.1
265.25217	3.6
271.24197	11.5
277.05063	3.5
277.25229	5.2
278.05786	10.6
279.10278	3.3
289.18042	5.7
289.25211	23.8
292.07193	20.4
293.08038	22.4
294.08600	4.2
297.11105	3.7
301.30893	3.5
307.09637	35.6
307.26077	15.1
310.08414	6.6
325.07123	5.4
325.10730	47.5
325.14221	5.0
325.27417	14.5
326.10962	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	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01851	10.6
55.05501	27.9
57.03424	6.3
57.07040	2.6
67.05142	4.5
67.05493	60.8
69.03402	6.7
69.07063	21.1
69.76608	2.4
71.04978	7.5
71.60354	5.3
79.05483	51.1
79.26558	3.0
81.03414	6.2
81.07044	100.0
82.07444	3.8
83.04980	17.1
83.08601	16.8
85.02911	5.1
85.06535	5.4
91.05463	31.0
91.35714	2.5
91.46103	2.7
93.07038	34.3
95.04950	13.3
95.08584	31.4
95.09130	3.6
97.06517	41.4
97.10166	20.3
99.08022	2.9
102.08608	2.6
105.07016	29.4
107.04937	8.9
107.08578	25.3
109.06493	55.1
109.10135	29.1
109.60925	2.6
111.04404	3.2
111.08064	6.6
111.09624	2.5
113.05943	3.6
115.05446	3.4
117.07005	10.5
119.08598	14.5
121.06493	6.7
121.10133	12.4
123.04404	10.9
123.08047	8.3
123.11674	6.5
125.09576	16.7
129.07019	3.3
131.08571	12.5
133.10127	18.7
135.08060	12.3
135.11722	6.4
137.05943	4.5
137.09578	8.0
139.11163	5.3
143.08575	5.6
145.10114	10.0
147.08052	3.8
147.11667	8.3
149.09613	11.0
151.07520	5.0
151.11128	5.4
153.09087	4.8
157.10208	3.6
159.11681	10.2
161.09633	4.8
163.07555	4.5
163.11197	6.6
167.10658	3.4
169.10069	5.0
171.11594	4.3
173.09601	3.7
173.11865	4.5
173.13254	6.1
179.10645	3.9
183.11667	4.1
187.11227	3.3
187.14662	3.0
189.82034	3.2
200.14365	11.2
203.12737	9.2
215.18123	2.8
221.09499	2.8
239.17943	4.3
244.16864	3.6
257.19012	4.1
261.18512	5.3
271.16837	4.3
275.20016	24.0
289.18027	22.7
293.07953	4.0
293.21185	6.8
307.09497	2.8
307.19144	5.3
307.22644	6.9
325.06982	3.9
325.10617	7.3
326.04022	2.9
326.24875	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.9
55.05502	26.6
57.03419	7.7
57.07059	5.1
57.56430	4.0
63.18583	4.1
65.18179	3.9
67.05148	3.7
67.05494	56.6
69.03410	10.8
69.07054	27.6
71.04978	25.7
71.65907	3.3
71.66325	6.5
79.05476	44.2
79.73902	3.5
81.07043	67.7
83.04950	12.3
83.08613	25.5
85.04594	3.5
85.06509	8.6
90.45778	3.9
91.05471	44.0
93.07035	61.0
95.04957	34.2
95.08580	52.5
97.06522	35.5
97.10139	17.7
105.07021	52.0
106.59620	4.6
107.04920	11.5
107.08585	36.9
109.06469	12.0
109.10156	29.5
111.08042	18.3
115.05406	5.0
117.06966	12.4
119.08578	50.7
121.06471	12.1
121.10130	24.6
123.08045	12.9
123.11683	8.7
125.05950	5.6
125.09583	12.8
129.07001	9.0
130.07678	4.8
131.08563	18.9
133.10106	40.8
135.08044	10.6
135.11662	13.8
137.05956	6.6
137.09592	7.5
137.13220	6.1
141.07054	5.4
141.09055	3.8
142.07794	7.5
143.08546	9.4
145.10143	20.2
147.11670	20.6
149.09549	12.9
151.11142	12.7
155.08511	7.4
157.10078	19.9
158.03568	4.2
159.08049	11.8
159.11671	24.1
161.09645	5.6
161.13231	6.5
163.11189	6.5
169.10083	9.2
171.11627	13.4
173.05943	5.7
173.09595	4.5
175.11160	4.3
176.00978	13.2
177.12611	4.3
179.08537	4.4
181.06467	5.6
181.10072	9.2
183.11674	9.2
185.13263	5.5
187.11252	4.6
187.14775	6.8
189.11201	6.5
193.10027	4.7
194.02122	12.9
195.11696	6.8
195.13719	6.3
197.13284	8.9
200.08269	5.2
200.14291	15.2
201.05382	9.1
201.09178	5.7
201.12778	5.7
205.06499	4.9
205.16078	4.9
207.11650	7.1
209.13289	9.8
211.14822	5.1
221.05966	4.7
222.06717	6.3
223.14864	7.6
229.08656	4.6
239.18073	4.3
247.20421	7.7
249.18530	5.1
250.06287	6.1
253.04887	5.0
253.15907	4.6
257.18951	8.3
265.04938	22.8
265.08502	6.4
271.16806	5.6
273.18622	3.8
275.20010	67.9
278.05670	4.9
289.17972	15.4
292.07574	5.7
293.04376	10.8
293.07843	8.7
293.20792	7.6
295.05948	5.7
302.96191	3.9
307.09564	11.8
307.19278	7.0
307.22589	18.6
307.25949	7.1
310.04578	14.2
325.06998	100.0
325.10635	13.1
325.14352	15.6
325.21399	15.8
326.07303	11.0
326.24783	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	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84236	3.9
53.67038	3.9
55.01850	20.5
55.05501	32.1
55.24178	3.9
57.03420	6.1
57.07050	5.0
67.05495	54.1
68.11789	3.8
69.03413	7.8
69.07052	54.1
70.88685	4.5
70.89024	8.9
71.04983	6.1
79.05470	42.7
81.07043	100.0
82.07380	4.0
83.04956	13.6
83.08606	26.0
85.06521	6.3
91.05468	33.7
93.07034	50.2
95.04955	29.9
95.08588	51.9
97.02885	4.0
97.06516	24.4
97.10150	7.3
105.07011	29.9
107.04917	6.4
107.08585	35.6
109.06477	16.2
109.10158	25.6
111.04416	4.3
111.08060	10.3
117.06980	14.4
119.08556	35.9
121.06474	5.8
121.10103	27.0
123.08014	10.8
123.11668	15.8
125.09591	12.5
125.46352	3.8
127.07533	4.5
129.06967	6.5
131.08546	16.1
133.10115	35.1
135.08078	10.1
135.11659	25.0
137.09608	12.5
143.08513	4.0
145.10094	16.7
147.11664	26.1
149.09587	15.4
149.13255	5.5
153.12718	5.4
157.10069	6.7
159.11668	9.7
161.09573	3.8
161.13202	8.9
163.11124	13.7
165.12778	6.0
171.11652	6.5
173.13293	6.5
177.12750	6.6
181.12108	4.8
183.11563	3.6
193.12303	5.3
223.13174	5.2
229.19418	5.7
235.16864	4.4
239.17947	4.6
241.54993	4.0
246.82222	4.2
247.20546	8.7
257.18915	15.6
263.20007	22.2
275.20016	65.1
276.20331	4.7
293.21054	17.3
295.22607	9.6
307.22635	19.6
325.21024	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	13.8
55.05508	26.7
57.03420	8.0
61.63542	5.1
62.20281	4.4
67.05493	62.3
69.03425	8.4
69.07059	33.5
69.34866	44.8
72.06561	5.4
79.05483	38.7
81.07040	100.0
83.04951	13.7
83.08592	21.5
85.06505	5.8
91.05459	39.9
93.07046	37.0
95.04945	12.0
95.08601	43.4
97.06515	24.7
97.10134	5.6
98.20735	9.9
105.07028	28.0
107.04916	7.0
107.08580	38.6
109.06483	13.5
109.10133	29.7
111.08078	7.2
117.07017	11.1
119.08575	36.8
121.06462	7.9
121.10104	27.2
123.08060	13.7
125.09647	8.7
129.06985	6.8
131.08522	14.1
133.10129	28.9
135.08049	9.8
135.11671	21.6
137.09590	10.3
143.08455	7.2
145.10089	18.9
147.11678	21.6
149.09538	10.8
151.11154	12.2
157.10077	11.2
159.11678	15.3
163.11127	12.0
165.12727	5.1
173.13225	6.7
175.11102	7.4
227.03252	4.7
247.20572	7.2
257.18848	10.4
263.20038	18.3
275.20065	58.3
289.85229	4.8
293.21045	20.7
295.22626	6.2
297.68433	5.7
307.22632	12.1
345.70792	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	325.2005
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
51.00396	2.8
53.03936	11.2
55.01865	23.1
55.05501	49.9
57.03418	12.7
57.07049	6.0
59.04985	4.8
67.05499	74.4
69.03423	23.1
69.07058	32.6
71.04976	20.0
71.58671	3.9
79.05038	5.7
79.05483	85.3
81.03407	17.3
81.07046	100.0
82.04179	10.0
83.04966	20.5
83.08601	15.2
85.02882	4.9
85.06532	8.4
86.78981	3.4
91.05469	72.7
93.07035	80.1
94.04153	8.0
95.04951	51.4
95.08031	4.7
95.08601	52.1
96.05730	6.1
97.06522	47.9
97.10146	13.5
99.04438	6.3
99.08054	3.9
105.07021	53.1
107.04935	56.4
107.08580	45.5
108.05733	6.9
109.02834	6.1
109.06505	31.3
109.10151	25.6
110.07230	5.0
111.08043	6.9
113.06018	8.7
115.05407	6.0
117.07024	26.6
119.04932	4.6
119.08579	34.8
120.05717	3.8
121.06521	40.1
121.10116	25.3
123.04403	8.6
123.08066	14.2
123.11668	12.3
125.09624	7.5
127.07567	4.3
128.06250	3.8
129.06989	19.5
130.10890	3.4
131.08548	49.7
133.02835	11.4
133.06470	20.1
133.10123	24.5
135.04430	5.4
135.08041	25.0
135.11661	10.6
137.05966	13.5
137.09602	16.1
139.07494	7.2
141.06961	4.6
142.07761	4.3
143.08521	15.1
145.06468	12.1
145.10110	23.1
145.11084	3.8
147.08017	15.5
147.11649	22.7
149.09590	13.5
149.13243	4.8
151.07558	4.3
151.11125	7.9
155.08537	5.8
157.06372	4.1
157.10126	15.1
159.08002	8.7
159.11671	16.7
161.09651	19.2
161.13306	5.6
163.07529	5.2
163.11186	9.1
165.12761	4.4
169.10077	5.6
171.08018	6.3
171.11714	5.2
173.09592	7.1
173.13226	10.7
175.11165	5.7
175.14856	4.4
177.05504	4.7
177.12679	5.6
180.11523	6.1
183.11658	6.0
185.09599	6.8
186.03056	4.0
187.11172	4.2
187.14806	5.8
189.12686	5.4
191.14252	6.9
201.05476	10.1
201.12744	7.1
203.14285	4.8
205.06505	8.8
207.13620	4.9
211.14957	3.8
219.13727	15.5
221.05815	6.7
221.38168	3.4
222.06895	4.5
223.07306	5.5
225.05205	4.7
229.08557	7.2
233.05869	7.3
235.68634	3.3
237.09085	5.5
237.14828	8.8
239.07132	3.8
250.06215	7.3
255.17474	7.6
261.18286	4.3
264.07806	3.7
265.08432	7.3
265.17978	4.9
271.16980	4.7
273.18454	80.8
273.21182	6.8
278.05466	4.5
289.17899	18.0
291.19461	13.5
292.07324	4.8
293.08093	12.2
297.14832	3.6
307.09525	11.7
307.19089	12.9
325.06897	9.6
325.10544	16.7
325.14252	17.8
325.20145	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	28.8
55.01858	14.1
55.05509	48.0
57.03424	12.9
57.07069	5.3
62.30620	4.0
65.03920	5.7
67.05148	5.3
67.05498	76.7
68.99773	5.2
69.03426	12.2
69.07047	24.2
69.57606	4.8
71.04990	38.2
79.05491	72.7
81.03407	42.8
81.07043	74.8
82.26613	3.9
83.04506	7.9
83.04971	92.8
83.08601	15.5
85.06525	11.0
90.93794	4.2
91.05465	69.8
93.07030	74.7
95.04956	46.5
95.08599	56.2
97.06517	57.2
97.08194	4.4
105.07011	66.1
107.04944	28.2
107.08575	38.1
109.06499	25.9
109.10137	25.8
111.04446	6.3
111.08051	12.4
113.05991	5.0
117.07008	23.0
119.08603	40.2
121.06487	17.2
121.10126	16.7
123.08051	18.2
123.11663	7.5
125.05997	23.3
125.09638	6.1
128.06215	6.8
129.06975	15.9
131.08536	28.2
133.06464	9.7
133.10091	32.9
135.08011	18.0
135.11676	12.4
141.06992	13.1
141.09004	5.1
142.07771	7.7
143.08543	19.9
145.06456	7.5
145.10120	33.1
147.08011	12.0
147.11674	13.3
149.09615	12.2
151.11171	8.6
155.08505	8.5
156.09248	5.6
157.10126	30.9
159.08041	11.0
159.11699	25.3
161.09622	16.9
161.17352	5.0
163.07547	11.2
163.11142	17.0
165.06934	5.7
167.08533	7.1
169.10100	18.5
171.11667	14.2
173.09587	9.3
173.13229	11.0
177.09111	6.0
177.12766	13.6
181.10155	4.9
183.10057	5.2
183.11644	11.8
185.09627	7.9
185.13266	7.3
187.11209	9.2
189.12767	9.9
193.10083	9.9
195.11586	11.0
197.13190	12.8
201.12762	7.7
205.15900	6.1
207.11691	13.4
207.13754	8.4
209.13287	8.9
213.12700	6.0
215.14230	6.0
217.12221	6.5
219.13945	7.5
223.14871	8.5
227.14352	9.2
233.13342	5.9
233.15384	19.8
237.14790	6.2
243.17378	10.5
251.14319	7.7
253.15904	6.1
261.18503	20.9
265.15927	4.5
271.16769	28.5
289.17874	100.0
290.18039	4.9
293.08182	8.5
307.19388	22.9
325.07230	6.4
325.10629	6.1
325.21765	43.0
325.28922	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	325.2004
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
50.17512	2.8
53.03944	22.1
54.49977	3.3
54.85466	3.6
54.90266	3.3
55.01855	13.6
55.05506	39.5
57.03430	42.1
57.18913	3.2
58.67523	3.9
65.03927	5.2
67.05494	88.0
69.03425	17.9
69.07043	27.8
70.62241	11.5
71.04964	9.6
71.94559	3.1
74.55527	3.4
79.05485	69.5
81.03398	40.5
81.07044	90.0
83.04967	38.3
83.08614	17.1
85.06518	9.5
91.05466	46.8
93.07032	51.6
95.04942	28.3
95.08583	57.9
97.06517	100.0
97.10149	18.7
103.23704	3.9
105.07021	45.6
107.04926	38.1
107.08588	38.7
109.06502	18.6
109.10134	30.8
111.04443	25.9
111.08044	10.3
113.05998	8.6
114.02790	3.2
115.05424	3.4
117.06994	12.6
119.04903	4.5
119.08565	28.4
121.06474	20.3
121.10128	23.6
123.04406	11.9
123.08047	34.1
123.11675	9.7
125.05965	9.7
125.09595	17.0
128.06183	4.5
129.06952	7.7
131.04892	4.6
131.08530	21.8
133.02783	3.5
133.06458	4.7
133.10092	41.2
135.08023	17.0
135.11665	23.0
137.05974	9.0
137.09586	9.3
139.07541	4.8
139.11125	5.2
141.06946	7.0
142.07802	5.2
143.08522	5.9
145.06433	16.2
145.10123	14.2
147.07997	6.3
147.11655	7.5
149.09595	10.3
149.13264	6.0
151.07506	5.3
151.11136	12.8
154.07816	3.4
155.08632	4.6
157.10126	8.5
159.08049	22.3
159.11661	20.6
161.09599	7.3
161.13184	3.8
163.07529	9.6
163.11165	6.0
167.03412	4.1
167.10689	4.4
169.10078	8.4
169.12407	3.7
171.07933	4.3
171.11679	7.3
173.13252	4.9
177.09004	4.6
177.12711	12.4
179.10527	3.2
183.11623	5.2
185.13274	4.8
186.03226	4.0
187.11153	19.2
189.11119	7.3
189.12717	7.3
194.07227	3.7
195.13745	7.7
197.09618	4.1
197.13181	5.4
199.11034	3.9
205.12143	8.1
205.15746	4.1
205.97514	3.5
215.14253	9.3
223.13092	5.6
225.06291	3.4
233.05951	5.0
233.15352	26.2
241.14308	28.5
243.17424	8.2
250.06174	4.8
251.16422	9.2
253.15926	6.7
261.18457	16.4
265.08466	4.5
271.16919	23.6
275.20013	11.6
288.76468	3.5
289.17911	94.4
290.18207	5.2
293.07800	7.3
307.09656	8.7
307.19058	26.6
325.07010	10.6
325.10898	10.7
325.14368	5.8
325.20319	12.9
326.24673	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	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	30.5
55.01859	11.7
55.05503	45.2
57.03425	13.4
57.07062	4.5
59.04985	6.6
65.03921	5.2
67.05496	76.3
69.03426	8.2
69.07063	18.1
69.62421	2.7
70.92252	5.2
70.92602	4.8
71.04981	44.3
79.05478	63.6
81.03400	57.3
81.07043	100.0
83.04968	45.3
83.08627	13.8
85.02919	3.7
85.06537	4.8
91.05468	50.5
93.07028	60.2
95.04953	44.0
95.08596	50.4
97.06520	16.4
97.10128	6.7
99.08067	4.1
101.06010	7.3
101.63142	2.8
103.05499	3.5
105.07004	39.5
107.04947	28.9
107.08559	25.8
109.06511	27.2
109.10146	19.2
111.04429	10.2
111.08074	10.8
113.05994	6.6
117.06987	20.0
119.04913	4.5
119.08560	25.7
121.06491	19.4
121.10113	20.4
123.04411	6.0
123.08034	23.1
124.07642	3.1
125.09576	3.7
128.06166	5.7
129.06998	15.7
131.08524	27.4
133.06456	11.2
133.10109	19.5
135.04352	5.0
135.08044	11.6
135.11716	17.0
137.05998	3.6
137.09598	7.7
141.06944	8.7
143.08546	14.0
145.06447	11.3
145.10124	18.2
146.54361	2.7
147.08002	13.0
147.11670	9.2
149.05936	4.0
149.09647	8.0
149.13251	6.1
151.07475	4.8
151.11127	5.1
155.08569	8.3
157.10074	14.7
159.08037	19.3
159.11649	15.3
161.09595	9.9
161.13203	10.7
163.07590	2.9
163.11154	8.2
169.10117	9.8
171.11705	18.2
173.09621	8.1
173.13275	8.4
177.09113	5.7
177.12738	5.9
181.10098	5.9
183.10205	4.5
183.11707	10.4
185.09549	5.2
185.13272	8.5
187.11191	13.4
189.12701	6.2
191.14304	5.4
193.10196	6.0
193.12250	3.3
195.11769	3.9
195.13766	6.0
197.13258	6.1
199.11174	5.2
201.05409	3.7
201.12694	4.4
205.12283	5.5
207.13782	12.6
209.13268	5.4
213.12665	3.8
215.14307	3.9
219.11755	4.5
219.13799	10.9
231.13873	3.9
233.11420	3.3
237.14865	10.6
243.17342	5.7
253.15936	4.5
261.18417	18.1
263.59491	3.5
271.16922	17.7
289.17920	78.2
289.21207	5.1
290.18170	5.5
307.09448	3.4
307.19238	4.9
325.07193	5.7
325.10861	5.0
325.20023	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	325.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
69.03416	0.9
69.44476	1.3
69.44905	1.6
85.02895	100.0
86.03236	1.1
87.04462	0.6
93.27901	0.3
97.02853	0.5
99.04466	0.3
99.38541	0.3
103.13232	0.3
115.03916	5.1
119.03577	0.7
128.03427	4.3
129.05487	0.3
135.04376	0.4
136.06171	36.8
137.04587	0.4
137.06555	0.3
145.02815	0.4
147.04388	0.4
151.03944	0.4
159.04453	0.4
163.03871	2.0
175.03870	0.8
181.04938	0.6
190.07086	11.7
191.03482	0.7
191.07303	0.4
203.03416	0.6
231.42874	0.3
232.80031	0.3
265.03354	0.3
279.05057	1.2
325.07321	0.5
325.12552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03921	2.6
55.01863	18.0
55.05505	14.8
56.06498	1.5
57.03414	4.3
57.07047	2.9
67.05147	2.9
67.05495	53.8
69.03402	5.6
69.07055	18.9
71.04974	10.8
72.83213	1.5
79.05103	2.2
79.05484	25.0
80.05804	2.3
81.03398	4.4
81.07044	46.2
83.04984	8.7
83.08610	9.1
83.73832	1.6
85.06544	8.0
91.05463	43.0
93.07031	25.2
95.04960	13.1
95.08588	15.0
95.56109	1.5
97.06509	20.7
97.10189	3.8
99.04401	3.5
102.42913	1.5
103.05449	10.0
103.62907	1.4
104.05787	4.0
105.07020	40.2
107.04912	5.9
107.07822	2.9
107.08570	39.6
108.05290	2.4
109.06490	12.8
109.10140	74.8
111.08057	12.9
113.05980	6.3
115.05420	1.6
117.03397	2.3
117.06915	3.3
119.04915	2.9
119.08562	12.5
121.06443	2.6
121.10114	6.5
123.04408	2.1
123.08028	7.9
123.11729	10.7
125.09589	2.1
127.07532	4.0
128.06233	1.8
131.04930	2.1
131.08536	5.5
131.17921	1.5
133.02812	5.8
133.10106	73.0
135.08037	2.8
135.11642	5.1
137.05910	8.0
137.09590	4.8
143.08522	4.2
145.06453	2.2
145.10123	4.2
147.08080	2.7
147.11635	2.7
149.05893	3.6
149.09595	2.8
151.07545	2.3
151.11160	35.5
155.07140	1.6
155.08534	2.7
158.03610	2.4
161.09572	6.2
163.03830	2.7
163.11221	2.1
165.06978	2.1
165.09102	6.7
169.10062	2.2
169.12195	7.4
173.05923	3.9
173.09634	2.5
175.03943	2.2
176.14348	4.1
177.06992	4.4
177.14668	6.0
179.10689	4.6
181.06433	2.9
183.08067	2.3
183.10153	19.6
186.03091	5.9
194.07288	4.8
195.07964	2.5
200.71169	1.8
201.05467	9.9
205.06480	9.0
211.07544	4.3
215.12680	2.9
221.05901	5.2
222.06743	7.0
226.06134	1.8
227.07050	2.8
229.08524	5.0
233.05884	7.8
234.06815	3.4
237.08989	5.8
239.06940	3.8
243.17340	2.1
247.07393	2.5
249.05519	5.6
250.06204	9.5
251.06824	3.0
253.05014	2.0
261.05325	1.9
261.18472	10.6
263.16330	2.9
264.07693	4.3
265.04953	1.9
265.08563	10.9
265.17892	11.3
267.06461	2.5
269.07883	1.8
271.16861	6.4
277.04910	2.2
278.05649	3.8
279.10263	2.3
279.13922	1.8
279.19617	3.9
281.08084	1.8
283.09579	2.6
289.17899	12.8
292.07269	7.3
293.04660	2.5
293.07996	15.1
294.08414	3.1
295.06049	5.2
297.11331	3.8
297.14560	2.8
307.09543	19.0
307.19019	16.4
309.07529	1.7
325.06946	16.7
325.10663	27.7
325.14212	14.3
325.20004	100.0
326.07321	2.3
326.10901	3.9
326.20529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1067
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01855	3.4
55.05481	1.0
56.90927	0.7
67.05485	3.5
69.03408	1.0
69.07050	2.4
71.04907	0.8
79.05477	3.4
81.03401	1.3
81.07030	3.4
83.08594	1.4
85.02886	0.7
89.03926	1.3
91.04916	1.2
91.05459	10.6
92.99178	0.7
93.07027	3.4
95.04935	2.4
95.08586	2.3
97.06508	3.2
99.04420	0.8
102.04698	1.1
103.05428	1.5
105.03405	1.0
105.07024	2.5
107.04929	2.8
107.08574	1.7
109.06500	1.4
109.10134	1.6
111.04435	0.9
115.05444	4.3
117.03394	0.9
117.06998	2.2
119.04913	5.7
119.08578	1.0
121.06510	1.3
121.10110	0.9
122.03609	2.2
123.04443	2.0
130.04131	3.0
131.04909	2.9
131.08504	1.0
133.02835	4.0
133.06456	1.2
134.03619	2.4
135.04388	3.5
135.08006	0.9
137.02298	1.3
137.05946	25.2
141.03271	1.8
143.04881	2.8
145.02847	1.2
145.06458	6.1
145.10077	1.2
147.04416	4.7
149.05927	7.0
150.06758	2.8
151.03877	3.8
151.07578	1.3
152.06207	1.1
153.06998	1.0
155.08441	0.9
157.02792	1.1
157.03996	0.9
158.03603	6.7
160.05177	1.7
161.05956	1.0
162.03079	1.0
163.03912	1.5
163.05376	1.1
163.07507	1.5
165.06943	7.3
166.07745	3.9
169.06573	1.4
171.04449	1.0
171.07983	1.1
172.46162	0.7
173.05957	10.3
175.03888	6.2
175.07489	2.1
176.06177	6.9
177.05502	1.3
177.06946	16.3
178.07739	2.9
179.08598	1.0
181.06433	1.2
182.07184	0.7
183.08067	1.4
185.02318	1.9
186.03099	25.6
187.03764	1.1
187.07526	1.3
188.04704	1.0
189.05473	0.9
189.06960	4.3
191.08501	2.8
193.06464	5.0
194.07237	17.5
195.07979	2.9
196.05222	0.8
197.05931	1.6
197.09756	0.7
199.07578	1.5
200.04617	2.2
201.05415	40.8
202.05875	1.4
202.07782	1.3
203.07001	3.0
203.08707	1.5
204.05673	5.4
205.06464	47.0
206.07146	4.9
207.06325	1.6
207.08063	2.5
208.05106	1.7
208.08699	0.9
209.09483	1.9
211.07431	5.3
212.04665	0.9
213.05431	2.1
214.10135	0.9
217.06421	2.0
218.07222	2.2
219.04474	1.3
219.07990	6.8
221.05940	22.7
221.09477	1.9
222.06714	27.3
223.07307	4.1
224.04698	1.2
225.05455	1.0
225.09117	1.0
226.06255	2.0
227.06967	4.6
229.08595	1.1
232.05162	1.5
233.05943	40.6
234.06689	10.8
235.03574	0.9
235.07539	2.7
236.04677	3.0
236.08325	3.0
237.05408	1.9
237.09058	24.4
238.06245	1.3
239.06982	8.9
240.07762	1.4
247.07521	8.8
248.08344	2.3
249.05438	21.6
249.09085	1.6
250.06204	39.8
251.06915	9.5
251.10667	1.0
253.04854	2.1
253.08614	1.1
254.05698	2.9
254.09363	1.5
261.05423	7.0
262.06058	1.9
263.07059	3.3
264.07779	17.7
265.08557	52.0
266.05737	1.2
266.09171	6.7
267.06485	10.1
269.08163	1.6
269.11438	1.6
275.07019	3.7
276.07791	0.8
277.04984	10.0
277.08176	1.3
278.05710	22.8
278.08850	1.1
279.06458	4.5
279.10141	9.3
281.07986	2.3
282.08765	7.2
283.06424	1.0
283.09460	2.7
291.06607	1.1
292.07260	46.1
293.08026	72.3
294.08545	5.5
295.05875	7.5
297.11148	12.4
307.09598	93.5
308.10037	5.9
309.07632	1.3
310.08331	11.7
325.10669	100.0
325.14124	6.0
326.10986	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01859	6.1
55.05499	37.9
58.28523	2.0
67.00614	2.0
67.05502	22.5
69.03411	5.8
69.07055	14.3
69.60009	16.3
75.71258	1.8
79.05478	19.7
81.03410	3.6
81.07027	18.1
83.04955	3.3
83.08614	17.8
91.05482	11.6
93.07044	20.6
95.04977	9.8
95.08585	10.6
97.10153	28.8
105.06995	11.7
107.04913	6.2
107.08589	16.6
107.35584	2.1
109.06492	3.6
109.10130	3.0
111.08065	3.5
117.06969	4.6
119.08568	10.4
121.06491	3.3
121.10161	5.5
123.08015	10.5
123.11656	1.8
125.09616	27.5
131.08568	7.5
133.06429	3.9
133.10080	4.5
133.58818	2.1
135.08031	8.4
137.09604	3.7
145.10141	3.7
147.08035	7.4
147.11708	2.7
153.09042	5.3
163.11165	3.6
165.09091	6.6
169.12355	2.3
193.12245	2.5
203.12741	15.4
220.65013	2.3
223.13274	9.6
273.18451	16.0
291.19516	100.0
305.21115	30.2
323.22101	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.36526	3.1
55.01857	10.7
55.05503	40.5
65.03931	5.2
67.05491	59.5
69.03425	4.4
69.07064	31.2
69.56201	26.7
71.05009	4.9
76.32292	3.6
79.05481	48.3
81.03396	5.4
81.07042	100.0
83.04971	21.2
83.08610	13.7
85.06530	7.7
91.05464	57.3
93.07033	58.9
95.04958	12.3
95.08597	38.8
97.06510	11.8
97.10153	4.3
98.21412	6.3
103.05415	3.4
105.07005	45.8
107.04923	12.2
107.08572	44.3
109.06498	13.8
109.10143	48.9
111.04422	14.5
111.08083	9.6
115.06455	3.1
117.07023	6.6
119.08547	19.3
121.06488	24.5
121.10110	17.4
123.04421	4.4
123.08018	8.8
123.11675	11.2
125.05936	3.9
126.76662	3.7
129.06982	8.3
131.08560	17.8
133.06447	15.6
133.10114	88.3
135.08023	7.0
135.11653	11.4
137.09596	6.1
139.07527	10.5
143.08510	9.2
145.10115	12.6
147.08003	9.5
147.11674	7.4
149.09583	20.6
151.11154	72.6
151.12276	5.5
157.10085	6.5
159.08020	3.7
161.09622	16.2
165.09276	3.4
167.10713	5.9
168.47119	3.6
171.11682	10.2
173.09502	4.3
175.11142	9.7
177.09108	6.1
179.10675	14.6
183.13783	22.9
185.13242	4.6
188.84595	4.1
189.12753	7.0
207.13808	5.7
215.45610	3.3
217.12231	5.4
227.17926	4.3
245.18996	18.8
255.17441	7.1
263.20105	11.0
273.18448	40.5
291.19513	81.6
305.21118	14.4
323.22156	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	324.1073
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.80098	0.2
55.13633	0.2
57.03424	0.3
60.04510	0.3
61.02899	0.6
61.37196	0.2
64.75159	0.2
69.03428	1.0
70.06559	0.3
71.04978	0.2
71.63079	0.3
71.63454	0.2
79.05470	0.4
81.03395	0.3
81.10087	0.2
84.08140	0.3
85.02388	0.4
85.02892	6.6
91.05420	0.2
95.04964	0.2
97.02855	0.6
105.03387	0.2
106.06524	0.9
112.68953	0.2
113.07052	0.2
116.04964	1.6
120.08114	1.1
127.03905	0.4
128.56602	0.2
130.06633	0.2
131.08170	0.3
134.05971	0.3
136.06197	2.1
137.05983	0.3
145.04970	0.2
147.04387	0.3
148.04712	0.3
150.06284	0.2
159.07596	0.3
162.05476	100.0
163.03867	0.5
163.05843	2.5
166.08656	0.4
177.05356	0.4
178.05856	0.3
190.07088	0.6
203.03545	0.2
207.11337	0.4
297.07608	0.5
299.41489	0.2
306.15329	0.2
324.10736	0.6
325.06973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1065
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01850	4.5
55.05494	3.6
57.03425	3.3
62.08154	1.1
63.40197	1.3
65.03915	1.9
67.05482	6.2
68.99769	1.6
69.03412	2.5
69.07066	5.8
71.04969	3.1
71.58384	1.1
73.06541	1.3
74.26883	1.4
74.62579	1.1
77.03922	1.8
78.04700	1.3
79.05493	7.9
81.03411	3.3
81.07044	10.5
83.04957	1.6
83.08595	1.1
85.06509	2.4
89.03873	2.0
91.04935	1.7
91.05465	18.1
93.07018	9.0
94.04152	1.8
95.04941	7.5
95.08600	5.4
97.02872	1.7
97.06498	2.7
102.04677	1.8
103.05435	2.6
104.37969	1.1
104.57040	1.1
105.03390	1.8
105.07012	7.4
107.04938	3.6
107.08545	5.8
109.06510	7.6
109.10128	2.6
111.08060	1.7
115.05441	6.3
115.06146	1.0
117.03407	1.3
117.07000	4.8
119.04939	7.8
119.08568	3.6
121.06478	4.3
121.10112	2.9
122.03639	4.6
123.04408	20.4
123.08055	2.3
125.05980	1.5
129.06985	1.9
129.47641	1.1
130.04086	2.8
130.17316	1.1
131.04878	3.6
131.08543	2.8
132.05630	1.3
133.02846	9.3
133.06494	3.6
133.10075	1.9
134.03593	3.4
135.04375	3.6
135.07974	2.2
135.11671	4.1
137.02333	2.2
137.05954	41.0
141.03291	1.9
141.06934	2.5
143.04892	3.2
144.05717	1.2
145.02826	2.2
145.06462	5.8
145.10095	3.5
147.04391	6.7
147.08028	3.5
147.11652	4.2
149.05983	9.5
150.06705	4.8
151.03888	4.4
151.07513	2.6
152.06175	1.6
155.07014	2.9
158.03636	9.7
160.05164	4.8
161.05945	3.8
162.02985	1.5
163.03879	5.5
163.07513	2.7
163.11140	2.2
165.05627	2.2
165.06926	8.3
166.07722	4.4
167.07021	24.3
167.08374	1.3
169.06448	3.7
171.11694	1.5
173.05922	11.7
173.09599	1.5
174.06708	1.5
175.03909	5.7
175.07510	9.4
176.06172	9.2
177.05533	1.9
177.06946	18.6
178.07642	3.1
179.08377	1.6
183.08055	1.7
186.03094	22.5
187.03529	1.2
187.07506	4.2
187.11162	2.6
189.05437	15.8
189.07001	3.0
189.09064	1.4
190.07626	1.4
191.06998	1.8
191.08536	4.1
193.04991	1.3
193.06523	5.1
193.08536	4.6
194.07245	20.9
195.08041	3.0
200.04623	3.3
201.05431	43.6
201.08940	1.8
202.05978	1.4
202.07774	2.1
203.06990	4.8
204.05624	5.7
205.06465	51.7
206.07121	6.1
207.06361	1.9
207.08128	1.9
208.05203	2.4
209.09656	2.2
209.11537	1.2
211.07507	4.6
215.06914	1.3
215.10634	2.2
217.06448	1.6
219.04381	1.4
219.07976	6.4
221.05949	22.7
221.09453	2.9
222.06717	36.7
223.07425	5.1
224.04674	2.1
225.08963	1.4
226.06210	1.3
227.06990	5.2
231.08008	1.4
232.05136	1.5
233.05939	50.9
234.06711	11.7
235.07530	2.6
236.04611	3.2
236.08270	2.6
237.09059	28.3
238.06097	1.5
239.07030	7.1
247.07497	9.2
248.08253	2.5
249.05452	23.7
249.08234	1.5
249.09186	1.7
250.06207	42.2
251.06935	8.6
253.04948	2.3
253.08586	1.9
254.09435	1.9
261.05481	7.9
262.06113	1.8
263.06998	3.2
264.07751	20.4
265.08554	52.9
266.09216	6.8
267.06522	9.3
267.09253	1.5
269.08167	1.5
271.13354	1.8
275.06952	2.5
277.04947	10.7
278.05695	22.5
279.06448	5.3
279.10104	10.3
281.07996	2.0
282.05713	1.7
282.08762	8.2
283.09586	1.6
289.14261	9.0
292.07251	48.7
293.08026	72.8
294.08566	6.0
295.06259	6.1
297.11176	13.5
302.02725	1.3
307.09601	100.0
307.15387	5.3
308.09937	4.0
310.08234	8.5
325.07288	4.2
325.10657	92.6
325.13892	3.3
325.16806	5.6
326.10983	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
53.11449	0.7
55.01868	4.6
55.05503	25.8
57.03416	3.0
59.04979	1.2
67.05499	17.4
69.03439	4.3
69.07063	16.2
70.14471	1.9
70.14880	2.7
71.04987	1.6
72.71305	0.8
73.14894	0.7
79.05485	16.9
81.03399	1.9
81.07044	13.9
83.04949	3.4
83.08609	11.9
91.05472	12.2
93.07035	12.9
95.04978	5.9
95.08590	8.4
97.02874	1.9
97.06503	2.4
97.10156	23.4
98.12723	0.7
98.20740	1.0
105.07018	9.7
107.04934	4.7
107.08578	12.0
109.06512	1.9
109.10150	5.3
111.04462	1.0
111.08099	1.8
117.07025	4.2
117.07695	0.8
119.04887	1.0
119.08566	7.2
121.06480	3.0
121.10140	2.8
123.08052	5.3
125.09621	21.6
128.06195	1.3
129.06952	2.6
131.08568	6.7
133.06450	4.0
133.10071	3.0
135.08035	5.4
135.11673	1.6
137.09592	2.3
143.08548	2.3
145.06432	1.0
145.10124	3.7
147.07991	3.3
147.11667	2.4
149.09572	1.2
153.09076	3.8
157.10085	1.9
157.12192	1.1
159.08015	1.2
159.11623	1.5
161.09576	1.6
162.10356	1.6
163.11156	0.8
165.09096	2.4
171.11627	1.0
173.11801	0.8
175.11172	2.1
176.32962	0.9
189.11137	0.9
199.11168	0.9
203.12720	9.5
204.13022	0.9
221.11600	1.0
223.13278	7.9
245.19014	1.4
249.14915	1.5
251.63274	0.9
263.19870	1.0
273.18411	8.4
291.19504	100.0
292.19839	3.4
305.21072	23.6
306.21585	1.2
323.22226	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.7
55.05515	41.3
57.03419	34.7
57.07070	11.8
67.05499	93.4
69.03423	7.3
69.07057	29.1
69.55207	6.7
71.63526	9.5
71.63985	6.4
79.05489	50.3
81.03413	13.3
81.07044	83.9
83.04964	12.2
83.08608	6.7
84.17463	6.1
85.06520	38.1
91.05462	44.1
93.07034	38.2
95.04961	67.6
95.08604	54.5
97.06517	25.1
97.10132	8.6
105.07008	35.0
107.04930	15.0
107.08571	37.3
107.38876	6.8
109.06491	55.1
109.10139	20.1
111.08067	7.7
113.05986	100.0
117.07069	13.2
119.08589	33.4
121.06461	16.2
121.10136	23.8
123.08047	11.6
125.06002	9.1
125.68196	5.9
131.08545	27.5
133.10107	14.3
135.08054	43.0
135.11717	8.5
137.09595	7.1
139.07529	6.7
143.08498	9.8
145.10144	12.3
147.08067	9.8
147.11682	10.1
149.09592	11.2
149.13258	13.5
151.11118	8.2
157.10127	8.1
159.11694	10.5
161.09621	13.7
163.11082	6.8
165.09055	6.1
171.11610	7.9
173.13211	8.0
217.15889	10.0
233.08664	6.9
255.17537	7.9
273.18445	35.1
291.19543	71.7
323.22516	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83632	2.1
51.02378	2.2
53.03935	6.4
55.01866	14.9
55.05505	48.3
57.03413	5.9
57.07070	4.2
65.03929	5.5
67.05150	4.1
67.05499	68.0
69.03412	8.9
69.07059	30.0
69.88132	4.2
69.88542	8.5
71.04973	5.6
79.05484	59.5
81.03404	4.0
81.07046	87.2
83.01324	6.5
83.04971	20.7
83.08616	16.0
85.02905	2.6
85.06535	7.1
91.04934	4.0
91.05471	57.5
93.07035	68.5
95.04945	19.2
95.08596	42.8
97.06517	12.6
97.10148	6.9
103.05447	2.3
105.06348	3.9
105.07018	53.6
107.04939	13.2
107.08582	45.2
109.06511	17.5
109.10143	44.8
111.04436	8.8
111.08095	14.3
115.05428	2.2
117.07005	14.4
119.04902	4.0
119.08575	23.9
120.68165	1.8
121.06499	20.3
121.10136	20.5
123.04420	5.4
123.08070	12.2
123.11676	11.7
125.05980	4.3
125.09651	3.9
128.06177	4.5
129.05528	2.0
129.06981	8.5
131.08554	20.8
133.06459	17.3
133.10110	66.9
135.08022	9.4
135.11655	14.7
137.05989	5.1
137.09595	9.1
139.07539	11.2
139.11104	2.4
143.08569	11.1
145.06488	3.7
145.10109	13.7
147.08067	13.8
147.11658	15.1
149.09612	14.6
149.10631	2.7
151.07526	3.6
151.09947	3.1
151.11162	60.5
152.16261	2.0
153.09131	3.1
157.10094	8.8
159.08011	2.7
159.11656	8.7
161.09618	21.0
161.13205	6.2
163.11168	7.9
165.09120	5.8
165.12749	3.9
167.10678	3.3
171.08098	2.3
171.11650	8.5
173.09604	2.7
173.13242	2.3
175.11153	7.8
177.09033	5.2
177.12747	3.0
178.26071	1.9
179.10664	10.9
179.14275	3.4
181.08684	3.1
181.10194	2.1
183.13800	16.3
185.09689	2.5
185.13184	4.9
187.11133	3.3
189.12749	7.6
189.68756	2.2
191.10733	2.2
193.12263	2.3
195.11679	2.9
199.11102	4.9
200.05070	1.9
201.12852	2.2
203.14279	3.3
207.13855	3.3
213.16336	2.3
217.12309	4.0
223.13179	2.9
227.17883	4.7
229.14287	3.1
237.16641	2.4
245.18994	18.6
255.17497	6.6
263.20016	21.3
273.15689	4.0
273.18484	45.9
274.18549	2.4
291.19507	100.0
292.19699	2.4
296.38168	2.1
305.21048	8.5
323.22174	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01860	1.3
55.05497	2.0
57.03424	1.4
57.07060	1.2
58.03911	0.8
67.05492	5.0
69.03416	1.7
69.07056	5.4
70.06582	1.2
71.04980	1.0
71.62294	1.4
74.04633	0.9
79.05487	5.3
81.03418	1.1
81.05785	2.8
81.07035	10.2
83.04957	1.8
83.08589	1.8
85.06528	3.7
89.02139	0.8
91.05473	5.6
93.07046	6.3
95.04967	4.1
95.08585	5.6
96.08116	8.5
97.02854	4.2
97.06523	1.3
99.04440	0.9
99.08060	1.1
103.05450	4.6
105.07003	4.6
106.06548	1.7
106.07449	1.0
107.08575	4.1
109.06499	1.4
109.10132	4.2
111.08041	1.8
111.11695	1.2
113.06016	1.1
117.06983	1.5
119.04909	1.2
119.08553	2.6
121.10137	2.5
122.06050	1.0
123.04376	1.0
123.08035	1.0
123.11688	2.1
124.07577	40.6
125.09657	1.1
126.05579	1.1
131.04926	11.2
131.08528	1.1
133.10129	4.1
135.08049	1.2
135.11659	3.4
136.07556	58.6
137.05937	1.3
137.07878	2.0
138.09138	1.6
140.07060	1.3
143.08580	1.7
145.02882	1.1
145.10083	1.9
147.04424	4.4
147.11655	1.9
149.05991	1.3
149.09549	0.9
149.13260	1.2
151.03899	2.5
151.07578	1.2
157.10141	1.5
161.05940	2.6
164.07050	100.0
165.07365	3.1
171.08054	1.4
175.07536	1.7
175.11058	1.0
177.05467	2.0
179.03334	1.0
182.08109	70.7
183.08417	2.9
185.09628	1.2
187.07501	2.6
189.09068	4.1
189.16249	1.0
190.06218	1.4
190.94795	0.8
191.06944	1.1
199.07501	0.8
201.05534	1.0
205.08574	1.2
213.09134	1.9
217.08505	1.3
232.18462	0.9
235.05717	4.6
241.08720	1.8
245.07794	0.9
259.09686	1.6
263.07050	1.5
269.08002	1.6
278.43268	0.9
280.07404	0.8
287.09103	3.0
287.24142	1.1
291.10303	1.1
295.06070	0.9
295.09299	1.0
305.10089	1.6
305.14679	1.2
305.24573	1.2
306.13373	2.6
323.05518	1.2
323.08963	2.7
323.12463	1.3
323.15814	1.2
323.25797	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	323.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
55.01871	1.1
55.05493	1.6
56.05034	2.6
56.96556	22.4
57.03425	3.8
57.07087	1.3
58.06587	9.9
61.02921	4.6
64.25727	1.2
67.05494	1.3
69.01540	1.1
69.03425	11.8
69.69954	3.6
69.70397	4.6
70.06586	4.3
70.98104	2.2
71.05000	1.2
72.08140	1.4
73.02899	3.1
75.04474	1.4
79.05487	1.5
79.78648	1.0
81.03397	4.2
81.07088	1.8
84.04496	19.4
84.08131	100.0
84.96034	3.7
85.02892	14.2
85.08456	1.3
86.06066	8.3
86.09689	4.5
87.04452	3.3
88.04029	1.3
89.03905	1.5
91.03930	1.3
91.05458	5.4
95.04965	2.3
97.02879	11.4
98.21468	1.4
98.97563	15.6
99.03795	1.1
99.04411	2.0
101.00859	1.7
102.05499	1.7
102.09138	1.8
103.05455	1.1
105.07025	4.2
107.04910	2.4
109.02855	1.5
110.07120	1.6
110.97562	3.0
112.99120	1.6
113.07099	1.5
114.09179	1.4
115.03918	3.6
116.98615	11.9
117.03310	1.8
119.01918	12.8
119.04916	3.9
121.02840	5.7
122.07156	1.9
123.05518	1.3
127.03905	2.8
128.98602	3.3
130.08611	8.1
131.00163	4.7
131.04930	1.8
133.06487	3.7
134.99649	5.7
135.04347	1.0
137.02950	4.6
137.05968	7.3
141.06593	3.8
143.00151	2.6
144.04715	1.4
144.98003	1.3
145.02832	3.1
146.99666	4.7
147.03343	1.2
147.04364	7.6
149.01216	7.0
149.06000	2.0
150.00717	1.3
150.99124	1.2
151.07539	1.2
158.99622	4.6
159.07629	1.8
160.02827	1.4
160.04170	1.1
160.09819	1.6
161.01192	5.5
161.02846	1.4
161.04654	1.6
161.07083	2.5
162.05487	15.6
162.99101	1.4
163.02762	2.1
165.00647	2.4
167.02313	1.7
167.06990	2.1
170.05190	1.8
170.99696	1.7
175.02861	1.9
177.00648	5.7
177.05470	4.5
179.69817	1.0
180.07672	2.5
185.01167	1.6
189.00664	2.6
191.01994	1.5
191.08188	1.9
193.00223	1.8
195.04959	1.9
197.01013	1.2
201.00745	3.0
205.03630	1.7
209.06557	3.2
213.00632	2.1
213.05331	1.1
217.05388	1.2
219.01709	4.1
219.04916	2.6
223.01285	1.1
226.04019	1.4
227.07349	1.2
231.01718	2.0
231.13370	24.6
233.06581	7.4
234.06775	1.4
235.02696	1.8
237.02802	6.1
237.06006	8.8
238.03651	1.4
245.02954	1.5
251.04352	2.4
251.07643	10.1
255.07115	3.0
256.04938	1.2
259.16492	36.0
260.16815	1.5
269.05453	3.6
274.09198	1.5
278.10562	2.3
279.07053	4.3
280.07498	1.2
281.05231	3.5
295.06760	2.0
297.08167	4.2
300.03787	3.1
305.05548	1.2
317.47174	1.5
321.08557	1.5
323.06195	3.8
323.12546	2.3
323.16263	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	323.1123
Annotation	Luisol A
Peak:m/z	Relative Intensity
51.01965	0.8
53.03936	0.9
55.01866	3.2
55.05498	1.0
57.03429	3.7
57.47993	0.9
58.60080	0.8
65.03934	1.3
67.05483	1.2
69.03420	3.6
69.07068	1.1
70.06579	5.3
71.04990	1.2
71.65516	0.8
72.08137	1.4
75.09241	0.9
79.05492	3.7
81.03410	3.7
81.07045	1.0
84.04483	1.4
84.08131	2.6
85.02876	4.1
86.09700	3.5
91.05460	6.3
93.07048	1.6
95.01318	44.1
95.04966	4.3
95.08668	1.2
97.02892	2.9
103.05459	7.4
105.07018	14.7
107.04942	17.5
107.08643	1.3
111.04386	1.2
113.02357	16.6
115.05447	9.7
116.06268	1.4
116.07059	2.3
117.06982	5.7
118.04172	2.3
119.04922	6.7
119.08612	1.1
121.02901	2.0
121.06537	2.5
123.04425	6.1
128.06203	10.0
129.06985	5.5
130.04195	1.3
131.04907	14.0
131.08559	1.7
132.05754	1.1
133.06483	11.0
133.10207	1.3
134.03613	1.8
135.04388	2.2
136.07535	1.0
137.06013	2.1
139.05440	1.7
141.06987	4.5
143.04932	2.6
143.08537	5.5
144.05717	3.4
145.02867	1.5
145.06482	12.2
146.06036	1.9
147.04388	23.2
147.08035	1.8
148.05167	7.0
148.07443	1.0
149.06006	2.8
151.03922	1.7
152.04701	1.0
152.06218	2.7
153.05539	1.1
153.07010	5.5
155.04919	2.1
155.05974	2.1
156.05722	3.1
157.06447	5.8
159.04346	4.1
159.08070	2.3
160.05185	3.0
161.05956	12.8
161.07147	1.4
162.03101	1.4
163.03931	1.4
163.07629	1.2
165.05519	2.1
167.04935	1.8
167.07019	29.5
168.05740	2.1
168.07442	1.5
169.06474	5.4
170.07245	2.1
171.04343	1.5
171.08011	12.9
172.05197	5.2
173.05942	6.9
175.03981	4.2
175.07542	3.7
176.04628	7.1
177.05496	8.8
178.06258	1.9
181.05029	1.4
181.06366	6.1
182.40085	0.9
183.04317	1.7
184.05153	8.6
185.05992	3.5
187.03914	1.7
187.07587	3.3
188.04639	2.0
189.05515	3.1
189.06865	1.5
189.09042	1.9
190.06233	3.5
191.07002	13.4
192.07599	1.0
193.04953	2.0
193.08582	27.5
194.05717	6.1
194.08777	1.8
195.06549	3.2
196.05257	1.7
197.06071	2.4
198.06783	5.1
199.04033	1.0
199.07497	13.2
200.04706	2.4
201.05417	6.7
201.09149	1.0
202.06149	2.0
203.03403	2.5
203.06941	1.5
205.05022	1.3
205.08580	5.1
207.06447	1.1
207.10149	1.5
209.06038	1.0
209.08018	11.2
212.04744	3.1
213.05450	4.3
215.07077	3.6
216.07773	1.6
217.04965	2.3
217.08675	3.6
218.05774	1.7
219.06496	3.5
220.07256	1.6
221.08107	1.1
226.06310	1.9
227.06987	21.6
228.07518	1.2
229.05048	3.6
231.06471	1.5
231.10085	6.3
233.08044	9.2
234.06747	1.4
235.07550	3.4
235.09738	1.8
237.07692	2.7
239.09120	1.3
241.05058	1.1
243.06534	1.3
244.07375	3.3
245.04395	2.6
245.08218	3.7
247.09727	1.5
251.09171	4.0
255.06564	1.5
257.08109	1.0
259.09613	11.7
260.06799	1.4
261.07590	7.3
262.06174	1.6
263.07089	5.7
263.10425	3.5
277.08218	1.1
277.10883	3.2
280.07367	0.9
287.09244	3.7
291.06580	1.3
291.10080	1.4
295.06241	1.3
295.09503	1.8
305.10193	16.0
305.14795	1.1
308.06818	1.0
323.11368	100.0
324.11697	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	323.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
65.03914	0.6
67.05478	0.4
69.03394	0.4
69.07055	2.0
70.14928	0.6
70.15338	0.3
71.01321	0.2
79.05453	0.3
81.07048	1.1
83.04957	0.2
83.08571	0.3
84.38880	0.2
85.02885	0.4
85.06523	0.2
91.05460	7.7
93.07018	0.7
95.01321	0.2
95.04929	0.2
95.08585	1.0
97.02859	0.4
97.10136	0.9
98.20737	0.2
105.06991	0.8
105.24868	0.2
107.04926	0.4
107.08587	0.5
109.10133	0.6
111.08084	0.2
111.11687	0.4
119.04919	21.6
120.05206	0.3
121.10082	0.6
121.10869	0.2
131.08543	0.3
133.10110	0.7
135.11668	0.3
137.05963	0.2
137.13188	0.2
139.11160	0.3
140.62720	0.2
141.01793	0.3
143.10706	0.2
145.02798	0.4
145.06442	0.2
145.10144	0.2
147.04376	100.0
148.04745	1.9
149.05878	0.2
149.13190	0.3
165.05452	0.3
171.08080	0.2
174.06676	0.2
175.11108	0.2
177.05450	0.4
202.06125	0.2
230.05722	1.0
243.06442	0.3
261.07153	0.2
269.04416	0.4
287.05386	0.2
287.23438	0.2
291.10065	0.2
305.24908	0.2
323.07654	2.4
323.12930	0.4
323.25717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81618	0.2
55.01866	0.3
57.03431	0.4
58.35736	0.3
58.51687	0.3
65.03918	0.7
67.05477	0.4
69.03433	0.6
69.07059	0.3
70.06590	0.4
70.84671	0.7
71.04974	0.6
72.08184	0.3
74.68067	0.2
79.05493	0.6
81.07024	0.6
85.02863	0.4
91.05468	9.2
91.06044	0.6
93.07027	0.6
95.01316	0.7
95.04893	0.5
97.02857	0.6
105.07009	1.1
107.04942	3.9
107.08534	0.4
119.04928	22.7
119.08549	0.7
120.05241	0.4
120.08173	0.3
121.02865	0.4
123.04403	1.2
131.04884	0.4
131.08597	0.4
133.06461	0.4
133.07515	0.4
133.10109	1.8
137.05927	0.4
141.01765	1.3
143.08556	0.3
145.07645	0.4
147.04390	100.0
147.11676	0.8
148.04729	1.0
149.05943	0.4
161.05959	0.6
163.08640	0.6
165.05432	0.5
175.03889	0.7
175.11168	0.6
176.04588	0.4
177.05421	0.3
189.05452	0.4
190.02769	0.3
191.14294	0.3
203.03362	0.6
207.07620	2.8
217.04909	0.4
229.04947	0.3
230.05786	1.0
231.08107	0.4
235.07518	0.5
255.03088	0.3
263.07004	1.0
263.10565	0.4
269.04254	0.3
283.63895	0.3
291.10236	0.3
295.09741	0.4
305.07928	0.4
305.11432	0.4
323.08215	2.4
323.12424	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64156	0.1
57.03424	0.1
65.03920	0.8
67.05502	0.2
69.03419	0.3
69.07049	0.2
70.88418	0.3
70.88753	0.3
71.01350	0.3
79.05483	0.2
81.07044	0.3
83.04978	0.2
85.02876	0.8
91.05469	7.7
92.05786	0.1
93.07035	0.1
95.01319	0.5
95.04949	0.2
95.08605	0.2
97.02876	0.5
99.00847	0.2
105.06985	0.3
107.04942	1.4
107.08576	0.2
111.08025	0.2
113.02380	0.1
114.96053	0.1
119.04928	21.5
120.05254	0.4
121.10142	0.2
122.05920	0.1
122.95722	0.2
123.04408	0.3
130.24930	0.1
131.04919	0.2
131.08583	0.2
131.17303	0.2
132.05643	0.1
133.06461	0.3
133.10124	0.3
136.07602	0.2
137.05937	0.2
141.01805	0.9
141.06969	0.2
145.07507	0.2
147.04388	100.0
148.04732	1.5
149.05969	0.3
157.06441	0.2
161.06052	0.2
165.05475	0.4
173.05995	0.2
175.03856	0.4
177.05365	0.2
191.14261	0.2
202.06210	0.2
203.03328	0.3
207.07613	0.7
213.05513	0.2
230.05699	1.0
235.07622	0.2
243.06630	0.3
263.07022	0.5
269.04437	0.4
287.05756	0.2
291.06482	0.2
291.09787	0.2
302.44879	0.1
311.16278	0.1
323.07654	3.5
323.12363	2.1
323.15836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09517	2.3
54.27435	2.1
55.01862	7.5
55.05490	2.4
56.05054	2.5
56.96559	82.2
57.03434	23.3
58.06584	4.2
59.04994	5.6
61.02922	20.3
65.03936	2.5
69.03422	53.5
70.06592	4.9
70.98105	5.4
71.04993	5.1
72.08183	2.6
73.02908	12.7
74.97584	4.8
75.04461	3.2
79.05508	3.1
81.03418	8.9
83.01354	2.5
83.04998	3.8
84.04488	13.1
84.08131	73.6
84.96025	9.0
85.02894	51.9
86.06040	2.7
86.09697	5.2
86.97614	2.2
87.04457	27.0
88.99150	7.6
91.05471	27.7
97.02271	2.5
97.02883	47.8
97.96813	2.3
98.97570	72.5
99.04430	3.3
101.00879	7.1
102.05547	2.9
103.00610	4.2
105.07000	17.3
107.00223	2.8
107.04933	6.5
107.96046	2.6
109.02878	7.8
110.07134	3.3
110.97579	7.8
112.99119	5.1
115.00669	3.2
115.03938	19.6
116.98605	47.1
117.01939	3.8
117.03417	5.1
119.01904	100.0
119.04936	12.3
121.01660	14.1
121.02888	2.5
121.06477	3.2
122.07116	11.9
127.01591	3.6
127.03940	7.6
128.02309	4.5
128.98573	19.1
130.08615	5.7
131.00151	15.1
131.01859	6.5
131.04967	2.9
133.01692	14.9
133.03439	3.7
133.04959	7.7
133.06508	9.2
134.99619	28.6
135.03157	2.7
137.02940	37.2
137.05937	18.5
139.03427	4.3
140.02290	5.3
140.98592	3.6
141.01276	3.3
143.00139	9.1
144.04765	5.5
144.98077	2.9
145.01749	3.7
145.02864	8.9
145.04903	3.6
146.99643	21.9
147.03311	3.2
147.04369	14.7
148.03838	44.4
148.54015	3.6
149.01237	19.9
149.05962	6.7
150.99152	7.8
151.02783	8.9
153.01303	2.7
157.04398	24.4
158.02303	2.9
158.99609	17.9
159.54683	5.9
161.01216	13.0
161.02870	3.3
161.05902	3.6
161.07022	3.8
162.05469	23.5
162.99130	3.9
163.02684	5.3
163.03889	3.0
165.00723	12.5
167.02463	5.4
168.01785	4.9
169.00203	4.0
170.99632	7.5
172.02873	2.5
173.01224	4.4
173.02850	2.4
174.99152	8.6
175.00819	3.0
175.02617	11.2
176.05052	2.4
177.00693	26.6
177.04073	3.8
177.05424	17.8
180.02798	5.2
180.07669	12.2
185.01234	4.0
185.03003	2.3
187.02782	4.3
188.97000	4.1
189.00670	13.7
189.02286	2.4
190.98627	10.5
191.02182	8.0
191.08209	10.7
193.00179	13.2
193.03732	5.4
195.04988	12.3
196.01266	3.9
197.03955	17.6
198.03693	4.5
200.02318	2.7
201.00702	8.0
202.98618	5.5
203.02184	3.0
203.03951	5.7
205.00163	5.4
205.01883	5.7
205.03729	4.5
205.05437	22.8
206.98088	4.3
207.01546	4.5
207.05057	2.9
209.06548	25.6
210.06645	2.6
211.01183	3.5
213.05948	2.7
214.02596	3.7
214.05968	51.8
214.56012	4.9
217.00180	7.5
217.03584	4.2
218.21988	3.1
219.01694	20.7
219.04971	18.6
220.99669	5.1
221.03094	4.1
221.04968	4.3
223.01300	5.5
223.06535	13.7
225.56772	9.1
227.02397	2.8
227.04976	6.8
227.07497	5.0
228.10570	2.8
229.03632	2.8
230.98145	5.5
231.13387	10.6
233.03252	5.3
233.04156	4.0
233.06549	45.9
234.06940	2.6
234.57628	2.9
235.02901	5.4
235.04854	4.7
237.02711	20.0
237.06061	50.2
239.03984	3.7
248.05466	29.1
249.02779	12.4
251.04384	4.3
251.07646	57.4
252.07930	4.1
255.07114	17.0
256.05148	8.8
259.04675	4.2
259.16550	24.6
260.07574	4.6
261.06210	4.0
263.00699	9.9
263.06088	40.1
263.56195	10.0
265.05783	2.8
267.03979	4.4
269.05475	9.6
274.09354	6.9
276.05283	3.1
277.06049	11.2
279.07068	23.7
281.02264	4.1
281.05090	11.7
291.03882	3.3
293.06976	9.7
295.06851	30.7
297.08090	17.8
299.06158	5.8
300.03979	3.4
305.05130	4.9
314.07794	6.6
323.06122	33.1
323.16327	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	323.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71210	31.6
80.00328	4.8
91.02849	4.6
92.07172	4.4
92.48160	4.7
143.01852	4.9
161.02930	8.2
173.03029	4.2
175.94646	4.4
185.03101	6.0
215.68112	4.5
263.58539	5.0
323.07373	100.0
323.11096	6.7
331.19305	4.9
342.83524	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	323.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05495	0.4
65.03923	0.9
67.05492	0.4
69.07043	0.9
69.72025	1.5
71.01340	0.2
79.05483	0.4
81.07027	0.7
82.08765	0.2
85.02912	0.5
91.05466	7.6
93.07030	0.5
94.04164	0.3
95.01321	0.3
95.04944	0.2
95.08613	1.0
97.02885	0.3
98.20767	0.3
105.07005	0.7
107.04925	0.6
107.08569	0.3
109.06522	0.3
109.10152	0.2
111.11707	0.4
119.04927	20.2
120.05262	0.3
123.22603	0.2
128.06155	0.2
131.04887	0.3
133.06465	0.3
133.10117	0.4
135.11604	0.2
137.05951	3.1
141.01805	0.6
145.06439	0.2
147.04388	100.0
148.04710	1.7
149.05995	0.3
161.05959	2.0
165.05452	0.4
171.11693	0.3
177.05302	0.2
192.24016	0.2
197.05991	0.3
199.07513	1.2
202.07803	0.7
203.08559	1.1
205.06584	0.3
209.89819	0.3
211.07581	0.8
219.07901	0.5
220.08856	0.4
223.38541	0.2
230.05713	1.1
231.06233	0.2
231.08076	1.6
232.08803	0.3
243.06546	0.3
248.08432	0.8
249.09259	0.3
259.07544	0.9
260.08237	0.5
263.06973	0.3
263.10635	1.0
269.04364	0.4
276.07785	0.4
277.08694	0.5
291.10059	1.9
292.10815	0.5
293.07935	0.4
295.13077	0.2
308.10373	0.2
323.07437	2.1
323.12781	2.6
323.16269	0.4
332.60098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73550	0.5
53.03936	1.0
53.82257	0.5
55.01847	0.8
55.05503	4.8
57.03404	0.5
57.07064	1.4
59.04984	0.8
60.00241	0.5
60.04517	1.8
62.06079	100.0
63.06429	1.2
66.15656	0.4
67.05494	17.9
68.05818	0.6
69.07058	4.0
69.30689	2.7
69.31122	2.9
69.53123	0.5
71.04996	1.1
71.08618	0.6
79.05477	12.6
79.05939	0.8
79.98418	0.5
80.05820	0.6
81.07043	21.2
82.07408	0.7
83.04967	1.0
83.08612	2.2
84.94189	0.5
85.06538	1.8
85.10176	0.5
88.04024	0.6
88.85953	0.5
91.05460	5.4
91.05868	0.4
92.05810	0.8
93.07028	15.9
95.04967	1.8
95.08592	14.1
95.09206	0.7
97.06530	1.0
97.10155	0.6
98.06039	0.7
99.04439	0.6
99.08089	0.7
105.07014	4.8
106.07341	0.5
107.04897	0.6
107.08580	8.5
108.08939	0.6
109.06527	1.5
109.10139	5.6
113.09658	0.6
117.07050	2.1
118.07442	0.5
119.08566	3.5
120.08924	0.6
121.10120	7.2
123.08050	1.1
123.11724	2.5
125.09654	0.8
128.07169	0.7
129.44839	0.5
130.08699	0.6
131.08536	3.5
133.10062	3.2
134.10463	0.7
135.08052	0.5
135.11696	4.1
137.09599	0.8
137.13206	0.8
140.03740	1.2
144.10201	1.2
145.10097	3.1
147.11726	2.1
149.09657	0.8
149.13174	2.4
151.14845	1.0
158.11740	1.2
159.11670	2.6
161.13292	1.4
163.14850	1.7
172.13335	1.3
173.13318	1.6
175.14888	0.6
177.16330	3.5
186.14886	1.5
187.14781	1.2
189.07198	0.5
192.73964	0.5
200.16469	0.9
201.16402	0.5
212.16510	0.9
214.18147	0.7
228.19632	0.7
233.22681	0.7
240.19661	0.8
243.21034	4.8
259.05566	0.5
261.22122	6.4
266.21207	0.6
273.18417	0.7
290.22141	1.1
304.26367	2.0
305.24857	2.1
322.10165	0.9
322.24460	5.1
322.27515	13.8
323.27960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36742	1.4
56.96555	17.2
57.03418	4.5
58.06586	1.8
61.02909	4.4
61.09737	1.6
69.03411	11.2
70.06592	2.0
70.28492	1.3
70.98119	1.8
71.10887	3.1
73.02892	2.9
79.05470	1.8
79.37823	1.5
81.03396	5.0
83.04986	1.6
84.04484	3.1
84.08144	10.2
85.02889	14.6
87.04435	5.2
91.05466	19.5
94.06538	2.3
97.02866	5.7
98.97562	11.7
99.04431	1.7
101.00856	14.0
103.58702	1.6
105.07010	20.5
107.04940	2.0
109.02870	2.9
115.03909	3.5
116.98620	10.6
119.01901	100.0
119.04927	9.2
120.02015	2.4
121.01660	4.4
126.09097	3.7
127.03936	1.7
128.98566	1.6
131.00209	2.5
131.01889	3.8
131.04938	2.2
133.03424	2.0
133.06479	7.2
134.99617	6.5
135.03152	2.7
137.02925	41.6
139.02557	2.4
142.03481	3.4
143.01886	12.8
145.03494	3.2
145.04886	2.1
146.90762	1.7
146.99602	1.7
149.01198	10.2
150.99153	3.0
155.01886	5.5
157.03398	3.4
158.99706	1.8
160.04471	1.8
160.09682	4.0
161.01100	2.1
161.01494	2.0
161.02943	22.0
161.05833	2.3
161.10020	2.4
162.99095	1.9
163.02760	1.8
165.86343	1.6
167.02185	3.6
173.02905	11.8
177.05460	3.3
180.02711	3.6
181.03496	3.4
183.05063	2.4
185.02948	6.8
188.97083	3.2
189.00641	3.8
189.03995	1.9
191.05522	4.6
193.00169	8.4
195.05017	10.6
197.02965	3.0
198.03798	6.7
199.04472	1.9
200.04601	2.2
203.02252	3.7
203.03923	13.8
206.98141	2.5
207.05009	5.3
209.06543	29.5
210.06738	2.0
211.01109	2.1
213.02441	1.8
213.06097	3.6
215.03931	2.8
219.01700	2.8
219.04977	20.9
220.11705	3.1
220.99625	3.6
221.03024	2.9
221.05029	1.9
225.06020	3.0
227.07629	5.4
230.98180	3.5
233.03079	2.9
233.06593	66.1
234.06653	2.5
235.04538	2.6
237.06050	74.7
238.06322	2.0
239.04037	2.2
247.04375	1.9
249.02948	1.7
251.07629	80.2
252.07857	2.9
253.05577	2.6
255.07149	25.3
259.04477	5.0
260.07663	3.3
261.06012	8.0
263.00812	3.4
263.03937	3.5
269.05408	5.4
269.08524	3.0
274.09216	6.9
275.06061	7.1
277.05521	4.3
279.07108	42.7
281.02054	3.4
281.05170	11.4
295.06323	9.4
297.08179	26.3
299.03214	1.7
299.05988	9.7
302.08694	3.2
305.04926	3.8
320.09802	2.6
323.06577	35.4
323.18167	4.2
335.08118	1.9
341.07205	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	322.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01875	0.9
55.05500	7.8
57.03412	0.7
60.04520	1.1
62.06080	100.0
63.06408	0.8
65.03923	0.6
65.81597	0.6
67.05495	17.9
69.00064	0.7
69.03413	0.8
69.07062	5.0
71.06577	1.5
71.06928	0.8
79.05480	11.7
81.07045	18.5
83.04980	0.7
83.08621	4.2
91.05466	5.4
93.07033	14.5
93.07592	1.0
95.04955	1.9
95.08594	14.2
97.06546	1.0
97.10152	4.3
98.06049	0.9
105.07016	4.7
107.08572	7.9
109.10141	6.1
117.07021	1.9
119.08612	2.9
121.10146	6.0
123.11702	3.5
125.09647	2.5
131.08546	2.6
133.10159	2.6
135.08128	1.2
135.11668	3.9
136.37642	0.7
145.10103	3.6
147.11700	1.6
149.09618	0.7
149.13283	2.2
159.11717	1.2
161.13278	1.2
163.14871	1.5
172.13350	1.2
173.13309	1.5
177.16406	1.4
186.14999	1.1
198.14885	0.7
200.16443	0.9
203.12753	1.2
223.13336	1.9
243.21191	2.5
249.58952	0.7
261.22144	3.8
273.18695	1.4
291.19513	14.1
304.26425	2.6
305.21198	3.4
305.24869	2.1
322.27390	12.1
322.30872	1.1
323.22198	1.4
323.27701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
53.03946	1.8
54.70004	1.3
55.01854	4.1
55.05510	3.2
57.03427	1.5
58.89506	1.3
61.48485	1.4
65.03917	3.3
67.05485	4.9
68.99790	2.0
69.03416	23.0
69.07056	3.7
69.32842	14.9
69.33257	3.1
72.95360	1.2
79.05467	7.2
81.03403	22.3
81.07047	7.0
83.04953	2.8
86.09694	95.7
89.03905	4.8
91.05463	6.9
93.03360	3.1
93.07016	9.0
95.04949	6.9
95.08589	6.3
97.02883	6.9
97.06518	2.7
98.21453	3.4
99.04436	6.0
103.05449	10.8
105.03386	2.3
105.07008	12.8
106.04108	1.7
107.04913	7.0
107.08585	6.3
109.02869	6.4
109.06512	2.1
109.10160	3.0
111.04408	4.3
115.05450	5.7
117.03363	18.2
117.07043	1.7
118.04186	6.7
119.04920	3.2
119.08611	3.0
120.08089	100.0
121.06494	6.1
121.08438	4.2
121.10122	3.4
123.04405	66.5
123.11656	1.4
125.05989	5.3
127.03886	9.9
128.06229	2.7
128.10703	54.1
129.06982	3.1
131.04903	6.1
131.08546	4.5
132.10207	3.2
133.02855	1.5
133.06470	69.2
133.10095	2.7
134.03638	3.0
134.06833	2.9
135.04295	1.9
139.03859	1.7
139.07486	2.7
140.04642	2.3
141.06981	5.3
144.05721	4.7
145.01686	2.9
145.02824	53.0
145.03941	3.1
145.10062	2.0
146.03177	2.4
147.04376	5.1
148.04848	1.9
149.05957	22.2
152.04649	4.2
154.06218	2.8
156.10208	12.2
157.10188	1.5
157.60091	1.7
159.08072	6.3
161.04639	1.0
161.05948	31.2
161.07182	2.7
162.06480	2.6
166.08609	55.0
167.07013	99.4
168.05840	1.4
168.07361	3.3
169.06482	4.2
173.05914	1.7
177.05446	82.6
178.05859	4.7
179.07005	4.5
179.14273	1.6
181.04875	3.5
185.05917	1.3
187.07536	9.7
187.88501	1.7
191.07025	5.2
193.08577	32.4
194.08873	2.7
197.05968	3.4
201.05508	1.7
204.07767	1.7
215.06950	4.5
218.09329	3.5
219.10155	4.4
229.08650	4.3
230.21129	4.3
231.06653	1.9
243.06503	1.7
247.09679	4.1
257.08139	6.5
275.09134	23.9
276.09399	2.7
285.21976	1.4
297.68637	1.7
303.08640	4.0
303.12100	3.0
303.23175	2.5
317.96814	1.6
321.09778	26.4
321.13498	5.6
321.24329	3.4
322.10364	2.3
322.25775	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03418	1.3
67.01839	3.1
67.05481	2.4
69.03425	2.8
69.07042	1.7
70.06536	1.1
70.51587	0.9
70.73375	1.3
70.73712	2.1
72.08113	1.6
73.02891	2.9
79.05486	2.0
81.07048	1.1
91.05462	3.1
93.07017	1.1
94.06551	3.8
95.04948	2.7
95.08549	1.1
97.06510	2.5
102.79295	0.9
104.04966	1.2
105.05758	1.5
108.08112	1.6
109.02877	1.4
111.04433	1.2
112.07583	4.0
118.06532	11.9
119.04908	2.5
120.08096	2.0
122.06022	2.9
123.04405	1.6
125.65288	1.0
128.04927	1.6
130.05215	1.1
136.00667	0.9
136.07541	3.7
139.03850	1.1
140.07097	1.0
145.07579	14.5
146.05981	8.5
146.08420	4.8
147.04381	9.3
147.06824	1.0
148.07538	1.7
148.11121	1.2
150.05481	1.6
158.27745	1.0
159.09108	1.7
160.15388	1.0
161.05939	2.6
161.07103	2.4
162.05389	1.3
164.07095	1.1
172.11378	1.0
173.07103	69.6
173.10748	3.8
174.07864	11.9
174.11426	4.8
175.12224	3.9
177.05457	1.6
182.09689	1.3
183.09149	1.3
187.08768	1.6
188.09531	1.3
189.08551	2.2
189.10211	31.3
194.09663	1.2
195.09044	1.6
196.09937	7.8
197.10684	2.4
201.05505	1.1
201.10229	6.1
202.10994	17.1
203.11786	13.0
206.08356	13.8
209.10693	1.4
210.11479	1.7
211.12285	9.0
215.11763	2.1
220.09996	1.8
221.10727	4.4
221.12834	2.9
223.08585	3.6
224.09401	5.0
226.10825	1.2
227.08141	3.2
227.11754	1.4
229.09599	1.1
229.13351	5.6
232.12067	4.0
233.12799	1.2
237.10135	2.3
238.10872	5.4
239.11769	17.1
240.10089	1.5
241.09694	2.4
243.11201	3.3
244.12044	30.3
245.12640	1.7
247.09595	1.1
247.14427	1.8
252.09042	1.3
255.11261	1.7
257.08450	1.6
257.12839	30.7
262.13058	13.5
267.11261	30.6
272.11554	2.0
275.09256	1.6
275.13864	21.1
275.16626	2.0
285.07513	2.5
285.12305	59.8
286.12735	1.7
290.12579	17.3
293.14850	4.8
303.08386	2.0
303.13370	44.9
304.13559	1.2
321.09958	7.1
321.14407	100.0
322.14670	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	321.144
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
57.03407	3.1
59.04969	1.6
65.03932	2.7
67.01835	1.5
67.05495	9.9
69.03396	1.5
71.32209	2.7
81.03396	2.4
82.06559	1.6
85.02892	2.5
91.05454	3.9
93.06998	1.7
94.06554	9.3
95.04939	4.4
95.07338	1.7
96.08102	2.4
97.02841	1.7
108.08115	10.9
110.06011	3.8
115.05412	1.5
118.06500	2.4
119.04913	1.8
120.08070	5.4
122.06012	10.4
123.04404	3.2
123.06789	2.7
131.04785	1.6
134.05992	1.6
135.04362	1.4
136.07544	6.3
137.08350	1.4
138.05490	23.7
138.09067	6.5
139.03891	2.2
144.08064	2.6
145.07585	1.9
146.08350	2.6
147.04399	5.5
148.07578	4.9
152.07111	1.8
156.06575	12.1
157.10088	1.7
158.09641	2.0
161.05939	3.6
161.07138	2.3
162.05396	2.2
166.08580	11.7
169.01295	4.5
169.06374	1.9
169.08870	2.4
170.09619	2.5
171.10471	1.6
173.07092	6.4
173.10689	1.4
174.07878	4.9
175.03853	2.6
175.12328	1.9
177.05391	2.1
180.06560	2.0
181.08792	1.8
182.09665	2.0
183.04347	1.4
183.09143	1.6
184.11159	4.7
186.09036	3.9
187.03854	1.7
189.10240	10.0
194.09694	3.5
195.09171	2.1
196.09918	14.0
197.10684	4.2
199.08740	1.6
201.05347	3.3
201.10240	1.9
202.08603	6.0
202.10939	4.7
202.12445	3.1
203.11749	4.3
206.08379	26.2
209.10722	2.6
210.11525	2.6
211.08707	1.8
211.12276	16.6
212.10750	3.8
213.10275	1.9
214.08546	6.5
215.09349	4.8
220.09898	5.7
221.04477	1.9
221.10760	11.5
223.08600	8.2
224.09395	8.8
225.10030	2.1
226.10979	1.8
227.08128	6.5
229.05046	1.6
229.13365	2.9
230.11690	4.9
232.09639	3.9
232.11876	1.8
233.10495	1.8
237.10181	5.5
238.10965	8.3
239.08173	3.0
239.11781	32.4
241.09674	3.1
244.12057	10.5
252.08888	2.6
254.10274	1.8
255.11205	2.2
257.07947	2.2
257.12762	14.3
258.11185	8.6
261.12399	2.1
262.13065	5.6
267.11264	68.4
272.11542	4.5
275.13779	11.2
276.12234	13.4
285.07346	4.3
285.12302	100.0
286.12820	2.6
290.12552	6.4
293.15051	1.6
303.05124	1.8
303.13351	68.2
304.11713	5.9
321.10120	3.9
321.14380	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1326
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
53.03936	1.7
55.01852	3.3
55.05490	2.4
57.03421	0.8
62.72532	0.6
65.03917	3.0
67.01845	1.4
67.05494	5.0
69.03417	8.7
69.07040	2.4
79.05486	10.1
81.03403	5.9
81.07041	5.6
83.04965	2.2
83.08594	0.9
84.08133	11.8
85.02878	1.0
85.08456	0.8
89.03895	2.0
91.05474	7.4
93.03397	2.2
93.07027	6.3
94.04140	0.7
95.04944	7.9
95.08604	4.1
96.08109	1.1
97.02888	3.6
97.06506	2.9
97.10115	0.9
98.20726	1.6
99.04437	5.1
103.05455	5.4
104.56479	0.8
105.07014	33.9
107.04942	21.1
107.08565	3.3
109.02866	2.9
109.06483	1.7
109.10136	3.4
111.04419	3.8
111.08067	1.6
115.05435	10.7
117.03358	4.9
117.07010	1.7
118.04122	2.2
119.04972	1.6
119.08552	2.9
121.02847	1.0
121.06487	5.5
121.10126	2.1
123.04413	53.5
123.08029	0.7
124.05236	0.9
125.05936	2.9
127.03901	6.4
128.06189	1.0
129.06969	2.5
131.04900	4.8
131.08519	4.6
132.05714	0.9
133.06470	30.2
133.10077	1.3
135.04437	1.1
135.11691	1.9
137.05978	1.9
137.09651	0.8
139.03860	1.6
139.07541	4.2
140.04634	1.9
140.07057	1.1
141.06966	5.9
143.04996	1.0
143.06032	1.9
143.08556	1.2
144.05669	5.8
145.02817	13.1
145.06477	2.2
145.10117	1.8
147.04393	2.3
147.08022	0.9
147.11691	1.3
149.02280	1.2
149.05959	12.9
149.09633	1.7
152.04709	1.3
153.05496	1.6
154.06174	3.7
155.04930	1.2
155.07034	1.6
157.06465	2.7
158.07225	1.5
159.08028	6.7
159.11656	1.4
161.05960	43.2
161.13258	1.2
162.06383	1.4
163.11172	1.2
167.07019	100.0
168.05708	0.9
168.07353	2.6
169.06447	4.5
172.05183	1.2
173.05927	1.5
173.09633	1.0
173.13205	1.3
175.07535	1.0
176.04660	0.9
177.05452	26.2
178.04892	0.8
179.06970	0.9
181.04984	3.7
185.05951	1.3
187.07521	10.2
191.07028	4.4
193.08583	20.8
197.05988	4.1
201.05457	1.5
207.06465	1.6
214.06223	1.1
215.07030	3.0
217.08589	2.2
218.09355	2.3
219.06628	1.3
219.10094	7.4
229.08560	6.9
229.29277	0.8
233.08075	1.2
242.05962	1.1
243.06453	3.1
247.07486	1.1
247.09610	5.3
250.06161	1.1
257.08112	6.0
271.05954	1.5
275.09119	28.5
276.09467	1.8
278.05695	1.5
289.08362	1.0
303.08600	3.6
303.12384	3.6
303.23074	1.6
306.05051	2.1
321.09711	16.1
321.13397	6.9
321.24698	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	321.1326
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
50.78207	0.7
53.03928	2.2
55.01855	1.7
55.05499	3.0
57.03429	0.9
61.51534	0.7
65.03917	1.7
67.01852	1.6
67.05494	4.6
68.99768	1.5
69.03416	15.2
69.07043	3.4
70.64143	2.3
75.20058	0.7
79.05476	5.4
81.03403	8.4
81.07042	6.4
83.04967	2.1
85.02911	0.7
86.09689	21.4
87.71704	0.7
89.03903	4.0
91.05473	4.8
93.07029	6.0
95.04944	4.1
95.08584	5.6
97.02866	3.5
97.06510	3.4
97.10143	2.5
98.20747	0.9
99.04431	4.5
103.05463	5.5
105.03377	1.7
105.07022	9.9
106.04156	1.5
107.04939	7.0
107.08562	4.2
109.02847	3.3
109.06499	1.1
109.10135	2.9
111.04425	4.5
111.08104	1.5
115.05451	2.7
116.06250	0.7
117.03355	11.9
117.07013	1.4
118.04147	7.0
119.04888	0.7
119.08572	2.4
120.08089	23.5
121.06486	7.5
121.10094	2.0
123.04409	60.1
123.08060	0.7
123.11687	1.6
125.05980	2.8
125.09537	1.2
127.03883	7.5
128.06262	0.9
128.10692	11.2
129.06976	1.3
131.04886	2.2
131.08519	0.8
133.06468	63.3
133.10121	2.4
134.03613	3.6
134.06819	1.5
135.04384	1.0
135.08055	0.8
135.11713	3.4
137.05945	1.6
139.07538	3.5
141.07011	0.8
144.05704	2.3
145.02818	28.0
145.06505	0.9
145.10074	1.4
147.04390	2.8
147.11662	2.1
149.05954	13.2
151.07529	1.3
151.11076	1.2
152.04675	2.8
154.06221	1.1
155.04897	0.9
155.06961	1.2
156.10181	2.7
157.06538	1.1
159.08002	1.9
161.05948	28.3
161.13257	0.8
162.06604	1.6
163.07477	1.0
166.08609	13.7
167.07011	100.0
168.07333	2.7
169.06401	0.9
173.06007	1.2
174.20758	0.8
176.04666	2.0
177.05444	51.3
178.05835	2.5
179.07007	3.2
181.04961	1.4
185.05971	0.8
187.07545	2.8
191.06996	6.2
193.06787	1.3
193.08572	25.5
194.08932	0.8
197.05978	0.8
197.07913	1.1
219.10170	2.2
225.09071	1.2
229.08562	2.0
231.06508	0.9
233.08151	1.1
247.09532	1.7
257.07996	1.5
260.11819	0.7
263.07053	0.8
275.09113	6.2
303.08881	1.3
303.12262	3.1
303.23135	2.8
321.09650	11.4
321.13339	6.1
321.24179	1.0
322.25732	1.6
337.79980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0965
Annotation	Phebaclavin G
Peak:m/z	Relative Intensity
53.00314	0.7
55.01834	1.0
55.05484	1.0
65.03920	1.1
67.01860	46.3
67.05478	1.7
69.03423	16.1
69.07041	1.0
69.73582	5.1
71.04981	1.0
79.05461	1.6
81.03406	5.0
81.07051	1.8
81.10068	0.8
83.04943	0.8
89.03903	3.3
91.05484	3.6
93.07005	1.6
95.04971	1.7
95.08580	1.7
97.02895	3.8
97.06544	1.2
97.10155	0.9
99.01507	0.7
99.04436	0.6
105.07008	2.5
107.04924	0.8
107.08591	1.1
109.02858	2.4
109.10150	0.9
111.04427	0.7
113.26717	0.7
115.05459	0.7
117.02572	1.0
117.03368	14.7
117.91475	0.8
119.04929	1.6
119.08554	1.2
121.10101	0.8
127.03903	7.5
128.06203	1.1
129.06963	1.6
131.04848	0.9
131.08508	1.6
133.10083	0.8
134.03624	1.2
135.04393	1.6
135.08105	0.7
135.11664	1.1
136.05110	0.8
141.06984	1.3
144.05708	1.7
145.02832	36.5
145.06439	1.5
146.03207	1.0
147.04402	6.7
147.11729	0.7
148.04848	1.4
149.05962	6.7
151.07520	2.0
154.06200	1.0
155.04929	0.7
159.08040	2.8
161.05997	2.5
162.06866	0.7
163.03873	1.4
163.07549	1.8
164.04668	1.1
169.06461	1.9
173.05954	1.0
175.03879	1.7
175.07497	1.6
176.04665	1.2
177.05450	66.3
178.06076	2.7
179.07047	3.3
181.04996	1.4
187.07510	2.7
189.05453	1.8
190.06265	1.6
191.07011	3.5
191.08542	0.8
195.06519	4.2
201.05469	1.3
203.06984	1.5
204.07809	0.9
205.04948	2.1
205.08585	5.0
209.08041	3.9
215.06992	1.5
217.04938	2.4
219.06491	6.0
219.10146	3.0
225.09122	0.9
229.05046	0.7
229.08673	2.0
231.02826	1.3
231.06490	0.8
232.07362	0.8
233.08055	1.2
237.07588	1.1
243.06584	0.8
244.07225	0.9
245.04407	1.8
246.05148	2.3
247.05930	1.2
247.09637	19.2
257.08099	1.7
260.06754	7.6
261.07535	2.7
272.06946	1.0
275.09128	11.4
288.06241	5.5
303.08701	2.8
307.27347	0.7
321.09662	100.0
322.09973	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	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	8.4
66.78541	6.1
70.48785	17.9
70.49185	9.1
84.56715	5.8
98.97571	20.8
101.00860	30.4
111.05565	8.5
113.58122	6.9
115.02450	11.7
116.98600	12.2
119.01905	100.0
131.01912	22.8
133.03447	45.3
137.02925	15.3
141.06561	24.3
143.01857	6.8
145.03502	8.3
147.05031	7.8
149.01163	6.7
151.04495	10.5
155.01918	11.8
159.07648	12.3
161.02966	21.8
168.99847	15.7
171.01353	7.1
171.05013	8.6
173.02994	21.0
175.04538	12.2
177.06113	6.3
187.00842	27.8
189.02524	12.8
191.04073	12.9
196.99298	8.5
201.02518	8.4
205.01901	6.6
215.00386	27.6
219.03506	10.4
221.05064	18.9
229.02029	7.7
231.07184	8.1
233.05196	12.4
233.08719	6.9
247.03029	39.9
321.09244	99.4
322.05219	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	320.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.07080	2.5
62.06083	100.0
67.01852	3.7
67.05498	13.2
69.03414	1.3
69.07059	3.9
70.06591	3.4
71.04980	1.8
71.06906	1.9
71.08603	1.8
71.14514	2.5
71.69405	1.1
79.05484	13.2
81.07046	14.1
81.13699	1.3
83.04965	1.3
83.08584	2.0
88.07618	5.8
89.07957	1.9
91.05472	15.3
93.07034	19.4
95.04961	2.5
95.08586	10.6
97.10177	1.4
102.09151	3.3
105.07026	15.0
107.08574	12.0
109.10194	4.9
117.07018	2.1
119.08559	13.2
121.10146	10.6
125.09657	1.9
129.06979	3.7
129.23050	1.0
130.08626	1.8
131.08539	3.6
133.10121	9.6
135.08054	1.1
135.11656	10.2
137.09660	1.0
143.08517	2.3
144.10223	1.7
145.10081	3.5
147.04353	2.2
147.08087	1.1
147.11693	8.4
149.13226	7.2
157.10103	1.7
158.11678	1.1
159.11678	3.9
161.09631	1.6
161.13223	7.8
163.14842	4.1
171.11690	2.8
173.13246	3.4
175.11171	1.1
175.14819	9.6
177.05545	1.2
177.16278	1.1
179.88808	1.0
185.13271	2.9
198.14897	1.1
199.14749	1.8
203.14307	1.4
211.14676	1.1
215.17984	1.3
216.01842	1.1
217.19505	3.4
231.21161	2.1
233.12511	1.0
240.19637	1.4
241.19485	7.7
245.04504	1.1
247.09308	1.1
256.26422	1.8
257.26566	2.2
258.26996	7.3
259.20541	13.8
283.10901	1.0
302.24698	3.0
303.22989	1.5
320.08566	3.3
320.22141	2.6
320.25821	34.8
320.30579	31.1
321.09659	9.6
321.26193	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	321.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	11.1
63.65191	2.5
65.84557	2.7
66.83132	3.4
69.03416	4.1
70.59061	7.3
73.02921	3.1
81.03381	8.5
81.04509	6.0
82.05305	3.0
82.99836	3.8
84.08126	6.5
85.02877	8.6
95.06063	15.5
97.02840	5.7
98.97567	11.8
101.00867	40.0
111.05561	32.6
113.00815	3.4
115.02453	5.1
116.98593	4.6
119.01902	100.0
120.01984	4.2
123.05543	25.1
127.02388	10.1
127.03868	2.9
128.98570	2.7
131.01866	10.8
133.03445	5.3
134.99652	2.9
137.02895	15.4
141.06554	76.8
143.01868	26.1
145.03433	60.0
147.01500	2.8
155.01854	8.4
157.03448	8.0
159.05052	3.2
159.07634	51.0
161.01373	3.0
161.02942	65.9
162.03053	3.2
163.04483	9.9
171.01370	22.3
172.98624	3.2
173.02943	18.7
177.00946	5.3
185.02922	7.2
189.02412	76.2
190.02531	2.7
191.03973	11.9
201.02432	36.7
203.04028	14.6
212.03899	3.6
213.02452	14.9
215.03908	3.8
219.02043	2.4
219.03546	20.4
221.01836	4.5
221.05025	77.2
222.05188	5.5
225.02534	3.2
231.03496	6.0
233.05046	37.8
239.06085	5.3
245.05034	5.1
251.06168	2.8
253.98701	2.8
254.03810	3.3
256.97556	12.6
261.04526	60.1
262.04892	5.9
263.06064	4.4
275.06046	3.0
279.05582	51.3
298.98575	10.2
302.07184	6.1
303.05539	20.0
321.06607	22.0
321.12817	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96351	0.9
56.96559	9.3
57.03427	2.0
58.99863	2.5
61.02913	1.4
69.03420	3.3
70.31109	3.0
70.31519	1.6
71.04945	1.5
73.01385	1.0
77.00900	1.6
81.03397	2.7
82.99319	1.1
82.99815	1.8
84.00622	1.0
84.96006	1.7
85.02879	2.7
87.04471	1.3
89.00889	1.0
91.02433	4.3
95.26426	1.0
97.02831	2.1
98.97572	10.7
99.04441	1.3
101.00871	31.4
103.00607	1.8
103.02427	2.1
106.22576	1.0
107.04920	1.2
109.02811	1.1
109.03492	2.6
110.97586	1.3
113.00844	4.6
115.02419	11.3
116.67419	1.1
116.98599	6.5
117.04002	2.2
119.01902	100.0
120.02003	4.3
121.01625	5.5
128.98563	1.6
129.03979	2.6
131.00171	1.5
131.01884	20.0
133.03445	28.8
134.99648	3.4
135.03189	4.4
135.05040	2.1
136.06097	1.1
137.02948	21.6
137.05966	1.1
142.03488	1.6
143.00159	1.7
143.01854	5.7
144.99754	5.7
145.03462	5.9
146.99590	1.7
147.01387	2.3
147.05104	5.9
149.01283	1.3
149.02946	6.5
151.04530	5.4
153.04308	1.3
154.77663	1.1
155.01898	1.6
157.03409	3.2
158.99632	2.3
159.04933	2.0
161.02913	16.1
163.04520	2.0
167.04016	1.2
168.99785	10.6
171.01393	4.6
171.04988	1.7
173.01389	1.3
173.02953	9.9
175.00966	1.5
175.02951	1.4
175.04460	5.7
177.00639	7.4
177.02396	3.3
177.05925	1.1
179.03922	1.6
181.03525	1.2
183.01512	1.4
185.02898	1.1
187.00882	32.4
189.00775	1.1
189.02405	15.7
189.06004	2.5
191.02153	3.2
191.03993	13.4
195.01666	1.9
196.99220	6.1
199.00815	1.3
200.97440	1.2
201.00806	1.7
201.02441	6.2
203.04066	1.3
205.01894	13.8
207.03481	1.9
210.02460	2.3
215.00359	39.9
217.01932	2.8
217.05440	1.7
219.01707	11.1
219.03508	6.0
221.05032	1.4
227.03894	1.8
229.01881	19.1
229.03947	1.4
230.02040	1.4
231.03542	3.7
233.01479	5.0
233.05054	14.6
237.02705	10.2
247.02982	66.3
248.03131	3.8
249.04556	3.3
261.04761	1.3
261.08206	2.0
264.05225	1.3
265.04059	13.2
269.05292	1.4
270.04581	2.8
279.03830	4.7
279.05887	2.0
279.09125	2.4
289.03967	8.8
307.05017	2.2
321.02261	1.7
321.06638	9.0
321.09964	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2628
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03936	2.7
55.05502	16.0
57.07080	3.2
65.03938	1.6
67.05153	2.0
67.05501	37.6
68.10313	1.4
69.07059	18.3
69.43123	12.4
71.53333	1.2
73.06557	1.6
79.05486	72.1
80.05811	2.3
81.07047	46.4
82.07412	1.3
83.08607	9.5
85.06547	2.3
91.04929	1.8
91.05472	26.7
93.07033	100.0
94.07355	2.2
95.04965	6.3
95.08594	34.6
97.06524	2.3
97.10152	3.8
98.21473	2.1
105.04434	2.0
105.07027	17.0
107.08581	54.7
108.08881	1.8
109.06503	2.2
109.10151	13.9
111.08045	1.4
115.07637	1.3
117.06993	2.0
119.08561	12.2
121.10130	47.2
123.08061	2.3
123.11669	5.0
125.09525	1.4
131.08560	6.3
131.09543	1.2
133.10132	7.7
135.11682	51.0
136.12018	2.0
139.11188	1.2
143.08458	1.6
145.10074	4.0
147.11649	5.2
149.13243	37.9
149.14468	2.1
150.13492	1.5
157.10080	1.8
159.11674	4.2
161.13268	3.5
163.11131	1.8
163.14796	15.2
166.77458	1.1
173.13249	3.5
177.16373	5.0
185.13211	2.1
187.14787	1.6
189.16299	1.4
191.14322	1.4
193.16068	1.4
201.16255	1.4
203.17911	1.6
259.20691	1.4
263.20090	2.6
269.22580	1.4
277.21445	1.7
287.23743	7.6
302.24783	1.8
304.05807	1.6
319.08090	6.6
319.26282	62.4
320.26010	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	319.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75831	0.7
55.01837	0.9
55.05494	1.9
56.05039	3.2
57.03424	0.9
58.99575	4.8
61.01133	0.9
65.03939	0.8
67.05490	2.7
67.73012	0.7
68.05023	0.7
69.03389	1.1
69.07051	0.8
70.06593	1.6
71.04958	0.8
71.62035	0.9
71.62407	0.7
72.08131	0.9
74.00654	2.3
76.02212	2.3
79.05468	1.3
80.04971	1.3
81.03403	1.8
81.07045	5.6
83.04948	0.8
84.04485	1.0
84.08133	1.3
85.01131	3.4
85.02895	2.5
86.00643	24.0
86.09750	0.6
87.02684	1.3
88.02200	1.9
90.53094	0.6
91.05457	2.1
93.07027	1.3
94.06564	1.0
95.08600	4.4
96.08112	2.0
97.02854	2.6
97.06514	0.9
98.09691	7.3
99.08048	1.3
100.02209	1.0
101.04235	1.4
102.05524	1.6
103.23499	0.6
105.06992	1.4
107.08566	0.8
108.08064	0.7
108.10654	0.5
109.02877	1.6
110.09657	2.2
111.02739	0.6
111.04453	0.7
112.03952	1.5
113.04215	10.6
113.05959	0.6
114.05499	0.9
116.01672	2.1
117.06956	1.0
119.04951	2.3
121.10147	0.8
122.09659	4.7
123.08032	3.4
126.09139	1.2
127.75807	0.6
129.07358	6.2
130.06836	1.2
137.02429	1.1
138.05482	0.9
138.65787	0.6
139.03831	0.8
139.05725	2.5
139.11186	1.2
143.02707	1.2
145.06017	1.3
146.05962	0.9
147.04379	5.9
150.05573	0.6
152.07065	2.5
153.01823	1.4
155.08745	0.6
156.08414	72.5
156.10196	4.6
157.04950	0.8
157.08699	1.2
157.12201	1.1
161.05922	1.4
162.02150	0.9
166.05008	5.5
173.06046	0.7
176.03436	2.0
182.04573	0.7
189.03334	1.4
198.09464	16.5
213.05548	1.1
213.10538	3.2
214.08595	0.7
216.10519	100.0
217.10841	2.6
226.08871	1.6
227.11926	1.5
230.05545	0.7
231.05406	1.5
241.08826	0.6
246.07605	0.9
255.11380	2.7
257.12869	0.7
259.05252	2.0
259.11099	42.0
260.11429	0.9
271.10843	0.8
272.11603	0.9
273.12363	3.1
283.10959	4.9
287.04495	1.8
290.10233	9.9
301.11987	12.2
319.04358	2.9
319.07568	10.9
319.13138	37.9
320.14911	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	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04363	0.5
53.03934	0.6
55.01872	0.8
55.05502	1.9
57.03439	0.6
65.03926	0.4
67.05491	0.9
68.05004	0.5
68.99747	0.5
69.03425	0.5
69.07063	1.9
70.06566	0.4
79.05480	6.3
80.05009	1.5
81.03413	0.5
81.05795	5.5
81.07050	3.9
82.06579	0.7
83.04980	1.2
84.08111	0.6
85.02893	0.7
86.09694	0.9
91.05476	1.4
92.04983	0.8
93.07041	1.2
94.06569	1.8
95.04966	1.3
95.08588	0.9
96.04450	0.7
96.08122	24.5
97.02884	1.3
97.06525	0.7
97.08486	0.5
100.07640	0.8
103.05450	0.7
105.03349	0.7
105.07052	1.0
106.06548	4.6
107.04929	0.8
107.08570	0.8
109.02855	0.9
109.10171	0.5
112.11249	0.9
115.05431	1.1
117.07018	0.5
119.04916	1.4
119.08595	0.5
120.08096	0.6
122.09641	0.6
123.04419	0.6
124.07581	100.0
125.07928	1.9
128.06227	0.8
129.07008	0.8
131.04927	0.5
131.07353	0.4
131.08562	0.8
132.08104	0.5
136.12151	0.4
137.02339	0.7
137.05916	0.5
138.05530	1.4
138.09109	2.7
139.03873	0.7
140.10735	2.2
141.07027	0.6
143.04912	1.3
143.08575	0.8
145.06482	0.6
145.10011	0.5
146.05972	0.6
147.04376	3.7
148.05191	1.4
149.06015	0.8
150.09106	0.8
151.03897	0.9
152.03448	0.5
153.01825	0.6
153.05495	0.5
153.06911	0.9
154.04967	0.5
155.08606	0.4
161.05959	4.0
164.03369	0.5
165.06975	1.0
166.05080	0.6
167.07265	0.5
167.08597	1.5
169.06490	1.5
173.05984	1.8
175.07530	2.8
177.05499	1.1
178.04996	3.6
179.07083	0.6
180.02892	3.9
181.06456	1.1
181.10117	1.4
182.04477	5.6
183.08081	0.7
184.11356	0.5
185.05931	1.7
187.07568	1.5
188.06870	0.5
189.05443	0.6
190.09892	7.0
191.08521	1.9
194.07268	0.6
195.08067	1.2
197.05948	1.0
198.03963	1.1
199.07454	1.2
201.13869	1.1
203.03358	0.9
205.04755	0.5
209.05806	0.5
209.09547	2.1
211.11079	0.9
212.10963	0.6
213.05409	1.9
213.09091	1.5
214.12300	1.0
215.07083	0.9
216.10477	0.6
217.04919	0.8
218.07187	0.6
219.08061	1.4
223.04033	1.0
223.07504	1.3
226.06282	0.6
227.06927	0.9
227.10635	1.9
227.12170	0.4
229.13541	2.1
231.02814	1.8
231.06415	0.8
233.04428	0.6
237.09056	3.8
238.09541	0.5
239.10718	0.9
240.10344	0.8
241.04968	2.9
241.08742	2.0
243.11493	0.5
245.04289	0.7
245.08167	0.8
255.07271	0.8
255.10287	3.8
257.12576	0.6
258.11163	0.6
259.05997	3.2
259.10886	0.8
265.08478	4.2
270.09970	2.3
272.07788	1.3
272.11862	0.5
273.07687	1.9
273.12360	2.8
274.12524	0.5
275.13919	0.9
283.09589	11.2
284.09879	0.6
291.05133	0.7
301.06992	0.7
301.11658	9.1
319.04675	4.1
319.08292	1.8
319.12836	35.9
320.13010	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	319.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.96550	0.4
67.05520	0.4
69.03412	0.7
70.06551	0.5
70.15706	0.8
70.16122	0.5
79.05476	0.5
84.08124	0.4
85.02864	0.7
85.82883	0.3
86.09669	0.3
89.55915	0.3
100.07625	0.3
105.03384	1.0
107.04961	0.3
116.07068	1.0
118.06539	2.3
123.04361	0.3
124.07539	0.3
131.08453	0.3
135.04428	0.5
135.11626	0.3
157.07520	0.5
158.08337	0.5
159.07912	0.5
159.09154	3.6
161.05995	0.4
171.09116	0.5
172.09895	0.4
185.10709	13.3
186.11069	0.4
199.12289	0.3
205.04907	0.8
207.03328	0.3
211.12247	1.3
225.04094	0.3
229.07410	0.6
229.09682	10.7
229.13269	0.6
230.10083	0.5
255.11296	0.8
257.12817	2.6
273.12311	5.7
283.10040	0.4
301.11710	1.2
304.05548	0.5
319.12854	100.0
320.13162	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	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97038	0.8
53.03925	0.8
57.36096	0.6
65.03928	4.1
69.03393	0.7
69.07040	1.4
69.32383	6.2
69.32785	1.3
79.05492	0.6
80.05000	1.2
91.05479	1.1
92.04998	7.6
93.03397	2.0
93.07018	1.5
96.08096	0.8
102.85193	0.6
104.04985	0.7
105.06950	0.6
106.06484	1.0
108.04442	2.5
110.06055	1.5
110.09634	1.8
115.05454	0.9
117.07011	1.2
118.06509	1.0
120.04433	2.4
124.07587	2.7
125.08352	1.3
128.06235	0.7
132.04384	0.7
136.03926	10.5
136.07484	0.8
138.05513	0.8
138.09125	29.5
143.08549	0.8
144.08087	1.8
147.04398	1.4
150.09113	0.7
151.03915	1.1
154.04976	3.7
155.08542	2.6
156.08041	1.3
157.08919	1.0
157.10138	0.7
158.09642	0.7
163.60828	0.7
164.03435	7.5
167.07278	1.8
168.08060	1.1
169.08878	0.9
171.09183	1.4
172.09961	0.8
174.12720	1.8
176.03363	3.1
181.08817	1.0
182.04475	21.3
182.09679	1.4
183.07916	0.8
184.07507	1.0
184.09785	1.3
184.11237	2.9
186.11426	0.7
195.06776	0.8
196.09953	1.4
197.06839	0.7
197.08421	0.8
198.07878	2.2
199.08623	2.4
199.12416	1.0
200.09291	1.5
201.13826	9.2
202.12296	1.4
209.10628	1.1
210.09131	2.7
211.08635	1.8
211.12279	0.8
212.09045	1.1
212.11040	3.2
213.10069	0.7
214.12247	2.1
226.07326	0.9
226.10957	0.7
227.08012	1.1
227.11855	4.2
228.08662	3.2
229.13339	50.8
230.13536	3.1
238.08694	1.9
239.11800	1.8
240.08865	2.3
255.11288	12.8
257.12820	34.7
258.11151	2.0
272.07965	2.9
273.12329	12.5
283.10736	14.2
284.09085	18.0
290.08771	1.0
291.13416	2.1
301.11816	30.5
302.12057	1.0
304.04797	1.5
319.07559	5.1
319.12839	100.0
320.13156	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	319.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05493	1.5
56.05013	0.7
57.03408	0.9
65.03922	1.0
67.05473	0.9
68.99756	1.4
69.03399	2.3
69.07067	1.0
70.06561	1.7
70.54288	2.0
71.04967	0.8
79.05467	2.3
81.03366	0.8
81.07012	1.8
83.04929	0.7
85.02876	2.0
91.05477	1.3
93.03402	0.7
93.07029	1.6
95.04931	1.0
96.08141	0.7
97.02866	3.1
97.06485	1.1
102.04655	1.3
103.05424	0.8
105.07018	1.4
107.04929	0.6
107.08575	0.8
111.04433	0.9
115.05419	6.5
117.06989	3.3
119.08483	0.8
120.08081	0.7
123.04370	0.8
126.09066	1.0
127.03858	0.8
127.09554	0.7
128.06186	2.1
129.06984	6.2
130.04115	1.9
131.04875	2.2
131.08504	1.0
133.06493	1.1
137.02287	0.6
137.05984	3.2
138.09134	1.3
139.03946	1.6
139.05405	2.7
139.09427	1.1
141.06970	7.3
143.04898	17.0
143.08524	2.4
144.05531	0.8
145.06471	4.1
147.04375	2.0
148.05165	12.4
149.02316	1.6
149.05959	1.5
150.47491	0.6
152.06151	5.8
153.01741	1.5
153.06967	6.1
155.05954	0.7
155.08519	2.0
156.10162	6.5
157.05057	1.1
157.06480	8.3
157.10529	7.0
159.04359	1.2
159.08043	2.2
160.05173	1.3
161.05956	37.1
162.06754	3.2
165.05612	1.1
165.06946	7.1
166.07716	5.2
167.04922	3.8
167.07198	1.1
167.08553	11.9
168.05656	1.4
169.06487	8.5
170.07196	1.2
171.08038	2.8
172.08865	0.8
173.04518	1.3
173.05956	15.6
173.09430	1.0
174.06560	0.9
175.07523	28.4
177.05496	1.4
177.06964	3.8
178.07719	2.4
179.08524	0.9
180.05722	2.0
181.06490	9.3
181.10071	11.2
182.06989	1.1
183.08000	1.8
184.05173	1.0
184.08542	1.0
185.05951	14.9
185.07568	0.9
185.09521	0.7
186.06732	3.4
187.03922	2.3
187.07497	10.1
188.08221	0.8
189.05368	1.6
189.06998	1.4
189.09088	3.2
190.08052	2.3
190.09866	63.3
191.06850	1.1
191.08540	17.3
191.10135	1.3
193.06407	1.3
193.10144	3.0
194.07208	4.8
195.02821	0.7
195.04369	2.2
195.08041	13.9
196.08505	0.7
197.05956	6.7
197.09644	0.8
198.06720	3.3
199.07486	6.4
199.11244	0.9
200.08224	1.8
201.05396	1.6
201.07227	0.9
201.09094	2.3
202.07834	0.9
203.06946	0.8
205.04776	1.4
205.06435	3.2
205.08078	0.7
206.07271	0.7
207.07970	1.1
208.05205	1.1
209.06177	1.0
209.09560	21.0
210.06612	1.0
211.07481	4.3
211.11093	1.3
212.08084	1.6
213.05469	15.6
213.09029	15.5
214.06007	0.6
214.09320	0.6
215.03362	5.1
215.06993	2.5
215.10634	5.9
217.04861	6.2
218.07214	2.3
219.07994	17.6
219.87759	0.6
220.08522	0.8
221.05919	2.0
221.09541	2.8
222.06638	2.1
223.03891	13.9
223.07457	11.5
224.04559	0.8
224.08246	2.0
225.05370	0.9
226.06134	5.3
227.06960	2.8
227.10582	18.2
228.78540	0.7
229.04921	1.8
229.12169	7.8
231.06425	4.8
233.04428	3.9
235.07552	1.0
236.04555	1.8
237.05251	1.7
237.09053	45.7
238.09665	3.2
239.07037	3.5
239.10602	2.4
240.07709	1.5
241.04901	19.2
241.08553	19.5
242.05431	0.8
242.08923	1.4
245.08037	1.6
247.07576	4.1
250.06171	1.7
254.05640	1.8
255.06714	1.4
255.10129	37.7
256.06921	0.9
256.10471	2.0
259.05984	22.6
259.09604	2.1
260.10278	0.7
265.08548	45.3
266.08774	1.1
270.09882	1.0
271.09622	1.0
272.11465	0.8
273.07599	1.5
273.11197	8.3
275.12787	1.2
277.07007	1.1
277.12823	2.1
283.09601	100.0
284.09976	2.9
291.06323	1.2
301.07074	1.3
301.11148	12.7
302.12396	1.2
304.05746	0.7
319.04370	1.5
319.07840	2.0
319.12311	3.7
319.15579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.9
55.05488	3.4
56.05008	2.9
56.20095	1.4
57.03421	2.8
58.99572	2.2
62.90482	1.6
65.03927	2.3
67.01842	3.1
67.05487	3.5
68.34546	1.8
68.99779	2.9
69.03412	4.2
69.07049	2.0
70.06583	2.2
71.60062	1.9
72.08139	3.7
76.02243	1.9
79.05467	4.3
81.03387	4.0
81.07016	5.3
83.04955	4.3
84.04494	1.7
84.08124	4.3
85.02873	6.3
86.00623	7.4
91.05451	5.3
93.07021	3.5
94.04160	2.3
95.04939	4.4
95.08594	3.6
97.02863	7.9
97.06509	2.9
98.09646	3.5
105.03362	2.7
105.06973	2.3
107.04864	1.7
107.08553	2.2
109.06512	1.9
111.00768	1.8
111.04399	3.0
113.04185	3.4
115.05435	4.0
117.06985	1.6
118.06490	1.8
119.04889	2.8
119.08568	2.7
121.02861	8.5
121.06503	2.8
122.03614	4.3
123.04392	5.9
124.03915	13.9
126.09116	3.2
127.03875	4.7
129.07126	5.7
130.05006	3.9
131.04970	2.7
131.08562	3.0
133.10095	2.0
134.03619	6.6
135.04359	2.4
136.07607	1.8
137.02330	4.7
137.04973	2.2
137.05975	43.6
138.09097	2.3
139.03824	3.6
141.06947	4.0
143.04881	4.1
143.08575	3.1
145.06427	2.5
147.04366	5.9
148.05170	2.6
149.02324	54.8
149.05949	4.2
153.01826	24.6
153.06902	1.8
155.08510	2.5
156.08403	15.7
156.10159	3.9
157.06471	5.4
157.18230	1.8
161.02316	2.0
161.05949	7.3
163.03871	3.1
165.01852	1.8
165.07004	3.0
166.04980	4.8
169.06433	5.3
169.10158	2.5
171.02835	4.0
171.04315	3.2
173.05940	5.4
175.07539	4.0
177.05437	3.6
178.07741	2.1
181.06418	4.3
181.09991	1.8
182.04419	2.6
182.07227	2.3
183.07990	2.6
184.05135	4.0
185.05966	13.3
187.07524	4.3
189.05470	4.2
190.04984	2.1
190.09839	10.0
191.08508	3.1
194.04463	3.0
195.02803	1.9
195.08025	4.2
197.05916	6.5
198.09457	3.7
201.05341	2.3
201.09007	2.0
203.03427	1.9
205.04834	2.4
209.09552	7.9
210.06686	2.6
211.11131	6.1
212.04659	5.2
213.05417	26.5
215.06850	2.2
215.10643	1.9
216.10522	22.6
217.04980	9.9
223.03769	3.3
223.07440	2.8
227.06966	5.1
227.10635	7.1
229.04951	8.1
230.05544	3.3
231.06445	3.2
237.09084	12.0
239.10559	3.9
241.04916	22.8
241.08553	7.3
245.08063	53.7
246.08362	2.5
255.10030	17.5
256.10852	5.3
257.12149	3.0
258.05200	4.2
259.05945	11.5
259.11148	18.2
265.08505	7.3
269.04453	12.6
273.07547	100.0
273.11603	4.0
274.07758	4.2
277.07150	2.0
283.09506	19.9
286.04761	12.7
287.05304	3.0
301.07019	47.3
301.10992	29.3
304.05692	2.8
319.04333	15.0
319.07864	9.5
319.12863	31.3
319.16144	2.5
320.11285	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	319.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06395	9.3
56.96547	39.5
57.03418	36.2
57.66708	9.4
61.02920	100.0
62.52562	8.7
69.03418	34.3
71.04993	10.4
71.66032	19.2
73.02894	19.4
81.03413	64.6
82.36796	9.3
84.08115	18.5
85.02905	52.6
97.02890	23.4
98.97559	39.5
101.00886	15.3
109.02861	65.4
110.01336	11.7
110.97560	13.2
116.98604	37.6
119.01886	62.4
120.62636	8.8
121.01662	9.2
127.03921	32.8
128.02310	43.1
131.00195	17.6
131.01900	22.9
133.01614	9.8
133.03448	23.2
137.02911	17.8
139.52986	10.1
143.01852	19.0
145.03464	22.5
146.99640	19.4
149.01163	20.1
150.01689	14.1
155.01843	10.8
156.03639	13.9
156.53693	12.4
157.03477	26.4
161.01237	14.7
161.02919	41.6
173.02884	13.3
175.04489	15.6
177.00728	10.5
177.02350	13.5
178.03111	11.7
183.02307	18.5
185.02960	23.3
189.00726	16.7
189.02322	13.0
192.02852	32.1
192.04539	10.5
199.04604	11.8
204.02872	17.5
204.53181	11.4
207.05162	11.4
212.55244	13.2
213.03339	73.4
213.53448	20.9
217.02000	19.3
218.05644	10.6
221.55658	9.7
222.03906	33.7
222.05823	12.7
228.05731	12.6
228.55806	20.2
235.06526	18.5
237.06206	11.8
237.56381	13.7
253.07753	20.7
254.08086	11.7
255.01497	11.5
269.05374	22.3
278.07858	25.6
296.08850	30.3
319.07828	49.6
337.09546	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	319.0442
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.02121	0.3
53.03915	0.4
55.01851	0.8
55.05497	0.7
55.36906	0.3
57.03425	0.5
65.03942	0.5
67.05489	0.6
68.99788	1.7
69.03415	0.4
69.07056	0.7
79.05489	1.5
81.03400	0.8
81.05772	0.9
81.07046	1.6
83.04952	0.6
85.02893	0.4
86.00630	1.0
86.09686	0.3
91.05488	0.7
93.03410	0.5
93.07019	0.7
94.06538	0.3
95.01298	0.4
95.04942	1.1
95.08601	0.4
96.08127	2.9
97.02876	0.8
98.09673	0.6
101.12943	0.3
102.63291	0.3
105.07007	0.6
106.06548	0.4
107.04945	0.4
109.02867	0.8
111.00790	0.9
111.04434	0.8
113.04219	0.9
113.23391	0.3
115.05470	0.8
116.01672	0.3
119.04921	0.3
119.08562	0.7
121.02834	1.2
121.10107	0.4
123.00786	0.6
123.04414	1.3
124.07575	13.1
125.02311	0.7
127.03886	0.4
129.07245	0.7
133.06413	0.3
135.04378	0.4
137.02325	6.1
137.03377	0.7
138.09151	0.8
139.00237	0.3
139.03860	0.9
139.11078	0.4
141.01768	0.4
141.06955	0.5
143.04942	0.6
145.10182	0.4
147.04378	1.1
151.00240	0.4
151.03827	0.5
152.07086	0.5
153.01814	4.3
156.08383	3.5
156.10294	0.4
157.10101	0.3
161.05952	1.4
163.03886	0.4
165.01820	1.2
166.04991	1.9
167.08530	0.5
169.01294	6.4
171.04393	1.5
173.05988	0.6
175.03870	0.8
175.07503	0.6
179.03354	0.6
180.02872	0.4
181.01274	1.8
181.06435	0.5
182.04440	1.1
182.07214	0.3
183.07985	0.6
185.00804	0.8
185.05855	0.4
187.03882	0.3
187.07407	0.4
189.05444	1.0
190.09886	1.4
195.02884	0.5
198.09427	0.6
199.03854	2.2
201.05464	0.3
203.03340	0.8
209.09543	0.6
211.11156	0.5
213.05469	0.5
215.03383	0.4
216.10513	3.7
217.04956	3.7
220.68675	0.3
226.06218	0.3
227.03386	1.2
227.10474	0.5
231.02744	0.4
231.06444	0.4
237.09079	1.0
241.04869	0.7
241.08517	0.6
245.04385	4.9
254.05707	0.4
255.02895	0.7
255.09966	1.9
259.06082	1.1
259.11172	3.5
263.05444	0.8
265.08615	1.0
271.10800	0.6
272.11551	0.4
273.03891	7.7
273.12039	0.7
274.04449	0.3
283.09641	3.0
289.11911	0.8
290.04123	1.1
291.04822	0.5
301.03375	2.7
301.06839	0.5
301.11526	3.1
302.03635	0.6
319.04443	100.0
319.12659	11.1
320.04770	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	319.0441
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.95610	0.2
53.03920	0.3
55.01862	1.3
55.05490	0.3
57.03421	0.3
57.09898	0.2
58.13921	0.3
65.03927	0.6
65.68594	0.2
66.61462	0.2
67.05477	0.7
68.66826	0.2
68.99783	2.6
69.03405	0.7
69.07043	0.5
69.91094	0.6
69.91514	0.8
79.05482	0.4
81.03405	0.8
81.07041	0.5
83.04964	0.3
85.02892	0.6
88.69028	0.2
91.05439	0.5
93.03387	0.4
95.01320	0.7
95.04933	0.9
97.02866	0.8
99.00795	0.3
100.07608	1.7
101.07887	0.3
103.05442	0.3
105.06976	0.3
107.01305	0.3
107.04948	0.6
107.08546	0.3
109.02831	0.8
111.00766	0.7
111.04408	0.6
115.05392	1.2
117.07011	0.4
119.04914	0.5
121.02850	1.7
123.00779	1.3
123.04429	1.5
124.07578	0.3
125.02372	1.1
127.03908	0.6
131.04878	0.5
133.02823	0.5
133.06476	0.3
135.04388	0.3
137.02324	10.5
137.03357	0.6
139.00252	0.7
139.03886	0.3
139.05521	0.2
139.11165	0.3
141.01826	0.4
141.06961	0.4
142.02625	0.3
143.04900	1.2
145.06505	0.3
147.04388	2.0
148.05157	0.7
149.02344	0.7
151.00270	0.7
151.03868	0.3
151.61206	0.2
152.06073	0.3
153.00642	0.4
153.01799	5.7
153.06927	0.5
161.05963	2.9
163.03909	0.4
165.01825	1.6
166.04955	0.6
166.07794	0.2
167.08493	0.4
169.01289	8.8
169.06456	0.7
171.02911	0.6
171.04375	2.2
173.05952	0.7
175.03934	0.7
175.07510	1.1
179.03410	0.6
181.01308	2.2
181.06462	0.7
181.10112	0.4
183.02866	0.4
185.00813	0.6
185.05959	0.7
186.06757	0.3
187.03917	0.3
187.07617	0.7
189.05502	1.5
190.09879	2.5
191.08495	0.3
195.02811	0.3
195.07994	0.7
197.05977	0.6
199.03888	3.1
201.51268	0.2
203.03340	1.0
207.03018	0.3
209.09546	0.6
211.11205	0.4
213.05424	1.0
213.09100	0.6
215.03357	0.3
217.04887	3.5
219.08047	0.8
221.04430	0.4
223.03964	0.7
227.03368	1.7
227.07076	0.5
227.10660	1.0
229.12155	0.3
231.02934	0.5
231.06558	0.3
235.06021	0.4
237.09071	2.1
239.10677	0.3
241.04924	0.8
241.08633	1.0
244.03682	0.4
245.04420	6.8
249.03943	0.3
255.02956	1.2
255.10094	2.1
257.04065	0.3
259.05997	0.9
263.05460	1.2
265.08539	2.0
272.11517	0.3
273.03903	11.4
273.06937	0.6
273.12106	0.5
274.04266	0.3
283.02380	0.3
283.09592	3.7
290.04102	0.8
291.04752	0.6
301.03375	4.5
301.11459	1.4
302.03876	0.4
319.04434	100.0
320.04770	2.9
320.11081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2058
Annotation	Protoemetine
Peak:m/z	Relative Intensity
53.03937	3.0
54.58434	0.5
55.01867	4.7
55.05504	4.3
56.05027	0.7
57.03421	0.6
57.07049	0.7
60.04496	0.7
65.03920	1.2
67.05147	1.1
67.05493	16.6
68.04998	2.1
68.99792	0.8
69.03415	1.3
69.07047	2.9
70.06570	3.1
71.04980	1.5
71.60545	1.2
79.05036	1.1
79.05480	20.4
80.05003	2.8
80.05785	0.9
81.03400	3.4
81.07045	10.0
82.06582	1.3
83.04964	0.8
83.08605	1.2
84.04492	0.9
84.08126	0.8
85.06543	1.0
88.07600	1.3
91.04928	0.9
91.05462	11.6
91.66776	0.5
93.07026	10.8
94.05984	1.0
94.06551	10.7
95.04941	4.8
95.08589	5.8
96.05286	0.7
96.08115	12.0
97.06519	1.6
103.05496	0.7
105.07007	7.9
106.06525	2.4
107.04937	9.4
107.08580	6.6
108.08083	2.3
108.08860	1.3
109.05264	1.4
109.06496	1.5
109.10117	2.0
110.05997	1.4
111.08090	0.7
112.07587	4.4
117.07024	2.8
118.06508	2.1
119.08575	2.9
120.08095	11.4
120.08873	0.7
121.06462	2.0
121.10130	3.2
122.06009	8.1
123.04397	0.7
123.08024	1.3
124.07567	1.5
129.06975	1.4
131.04889	0.6
131.08545	2.4
132.08061	1.8
132.08934	0.8
133.06500	1.0
133.08836	2.0
133.10100	1.4
134.09537	1.3
135.08028	0.7
135.11636	2.3
136.07555	33.4
137.07936	1.1
138.09134	1.2
141.06941	0.8
143.08527	1.4
145.01289	1.1
145.06459	1.4
145.10094	2.1
146.09584	4.1
147.07999	0.7
147.11604	1.3
148.07552	16.4
149.08372	4.1
149.09419	0.9
150.09105	2.4
153.01917	0.6
156.08026	0.8
158.09566	1.3
158.49786	0.6
159.07997	0.7
159.11687	1.6
160.07518	1.1
160.11156	1.3
161.05946	2.0
161.09616	1.6
161.13243	0.7
162.08995	1.0
162.10092	0.7
163.11153	6.5
167.06937	0.7
169.10143	0.9
170.09662	1.4
171.11594	1.0
172.11154	1.4
174.09109	2.8
175.09889	0.9
176.10704	2.0
177.12743	1.0
184.11093	0.9
187.11093	0.9
188.10680	1.1
205.01648	0.6
227.49330	0.6
231.06522	0.7
241.14410	1.7
254.19064	0.9
272.13452	1.1
272.20016	3.8
274.21619	1.6
282.08170	0.6
282.18411	2.0
288.19553	1.5
289.03339	1.0
290.21030	3.1
300.19528	50.4
301.19955	2.8
303.04382	0.6
304.05814	1.6
318.06790	3.8
318.20590	100.0
318.29752	3.9
319.08014	6.5
319.20978	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	317.2107
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03926	2.7
55.01855	3.9
55.05504	15.8
57.07071	9.5
59.04977	7.1
65.03914	2.3
67.05498	66.1
68.05819	1.9
69.03410	6.7
69.07079	8.0
69.93430	7.9
70.06589	9.0
71.04969	4.5
79.05485	20.7
80.79280	1.7
81.03407	6.3
81.07047	37.5
83.04928	2.8
83.08618	4.1
85.06536	4.0
88.07613	12.3
91.05461	22.0
92.45782	1.6
93.07026	29.2
95.04961	34.9
95.08585	24.8
97.06526	9.8
102.09167	5.7
103.05500	3.0
105.07021	23.4
107.04919	4.1
107.08581	55.9
108.05782	1.7
109.06506	22.5
109.10139	100.0
110.10501	2.0
111.08053	3.3
117.06986	6.6
119.08562	73.2
121.06483	9.5
121.09358	1.8
121.10102	9.7
122.07281	1.9
123.08057	34.0
124.08385	1.8
125.06008	3.5
129.06990	3.6
131.08566	8.3
133.06456	5.9
133.10114	11.7
133.32649	1.6
135.08029	13.6
135.11693	2.8
137.05968	3.5
137.09595	80.1
138.09918	2.3
139.07521	3.4
142.07693	2.4
143.08531	5.9
145.06427	2.1
145.10120	11.2
147.07976	8.1
147.11656	5.9
149.09589	4.9
151.07518	70.9
152.07794	2.2
153.01845	2.3
153.05446	6.6
153.09088	2.3
155.08496	3.0
156.09288	4.8
157.10101	7.2
159.08034	6.5
159.11662	7.3
161.06004	5.9
161.09610	20.8
161.13246	3.0
163.07500	3.2
163.11160	5.2
165.09084	7.9
167.07013	4.7
169.10126	2.9
171.11658	8.6
173.09546	3.2
173.13300	5.1
174.10320	1.8
175.11214	4.1
177.09132	4.6
181.08568	6.8
181.12158	2.2
183.11717	3.8
185.09575	1.8
185.13130	1.9
187.11076	2.3
189.12709	29.5
191.10632	2.5
191.14282	2.0
193.10150	1.9
197.13283	4.8
199.11194	4.0
203.14270	3.2
207.13773	31.7
210.46201	1.7
213.12778	2.0
215.14285	5.3
217.12238	2.2
219.13846	2.9
221.15370	4.6
225.12756	2.6
231.13828	2.1
233.15335	4.7
235.10973	1.9
237.14693	7.7
239.17819	2.1
241.15903	2.8
241.34402	1.8
243.13779	11.4
253.12181	3.2
256.26349	22.1
261.14792	4.5
271.13312	5.5
281.18979	4.7
283.24048	1.9
299.12677	3.4
299.20071	15.3
300.28836	3.5
317.06506	11.3
317.10239	2.4
317.13870	5.9
317.21082	79.9
317.28696	4.5
318.21436	5.9
318.30005	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01854	1.2
55.05492	1.0
56.05015	0.5
57.03411	1.3
60.04510	0.7
61.02906	1.5
65.03923	0.7
67.05472	0.8
69.03419	4.5
69.07042	1.6
69.55744	2.9
70.06564	1.0
71.04965	1.0
72.08145	0.4
73.02891	0.8
76.44508	0.3
79.05476	1.7
80.04975	0.5
80.05791	0.7
81.03400	3.3
81.05817	0.4
81.07041	1.0
82.02921	0.4
82.06556	0.8
83.04936	0.6
84.08123	0.4
85.02898	7.0
86.09686	1.5
87.04468	0.7
91.03945	0.5
91.05448	1.0
93.07036	1.4
95.04936	1.0
95.08601	2.1
96.04485	2.6
96.08108	1.7
97.02869	3.2
97.05254	2.5
97.06501	1.8
98.06048	0.5
99.04446	0.6
100.07581	1.0
103.05400	0.4
105.07005	0.6
107.08596	0.8
108.08080	0.5
109.02869	0.9
109.06497	1.0
110.06019	6.6
110.09650	3.3
111.04436	0.6
111.08051	1.0
115.05469	0.7
116.14445	0.4
117.07025	0.7
119.44895	0.3
120.08064	1.1
121.02876	0.5
121.06467	1.9
123.04372	0.6
125.08359	0.5
126.09124	7.9
127.03888	1.5
128.06310	0.4
129.06963	0.7
137.02295	0.5
137.05954	1.5
138.05470	0.9
138.09117	20.7
139.03873	0.7
139.07495	1.4
139.09511	0.4
141.01828	0.5
141.06993	0.6
143.04903	1.5
143.08463	0.5
145.04886	1.0
145.06490	0.5
148.05171	1.1
149.02287	0.7
149.05991	0.5
152.06142	0.8
152.10641	0.5
153.01804	1.5
153.06956	0.7
154.25015	0.4
156.10178	100.0
157.06465	0.9
157.10573	2.3
161.02332	0.4
161.05963	4.0
161.09613	0.7
162.09981	0.6
165.06979	1.2
166.07622	0.9
167.04912	0.4
167.07195	0.4
167.08574	1.0
168.05623	0.5
168.10146	1.6
169.06384	1.7
171.07828	0.5
173.05937	2.4
173.12860	0.9
174.06306	0.6
175.07532	2.8
177.07033	0.4
180.10172	0.6
181.06503	1.4
181.10138	1.1
183.08037	1.0
185.05939	1.9
187.07457	1.3
189.08800	1.0
190.09869	5.7
191.08597	2.2
195.02826	0.4
195.08008	1.5
197.05975	0.9
198.11264	0.6
199.07480	0.8
201.09103	0.4
209.05931	0.4
209.09518	2.0
210.14882	0.6
211.07515	0.6
212.08191	0.4
213.05573	2.3
213.09077	1.7
215.03307	0.4
215.07053	0.4
217.04997	0.8
218.05708	0.5
219.08067	1.4
223.03893	1.1
223.07457	1.0
226.06319	0.5
226.09372	0.4
227.06950	0.5
227.10535	1.8
228.10838	0.5
228.15942	0.7
229.04999	0.7
229.12204	0.8
231.06447	0.6
233.04442	0.5
236.11493	0.5
237.05437	0.8
237.09027	5.2
238.09677	0.5
238.86333	0.4
239.06944	0.8
241.04944	2.2
241.08455	2.5
247.07584	0.5
254.08868	0.8
254.12419	0.5
255.06471	2.0
255.10141	4.0
257.08121	0.4
259.06076	1.7
265.08502	4.5
272.13574	0.5
273.04010	0.7
273.07434	0.7
274.16440	0.9
277.12738	0.6
283.09604	10.0
300.09497	0.4
300.13171	0.6
301.07269	0.5
301.11047	1.4
318.06970	2.5
318.10184	0.7
318.15598	2.3
319.08041	0.5
319.11804	0.5
319.15524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
56.01975	2.1
56.96555	9.9
57.03423	5.6
61.02914	9.0
69.03423	16.8
70.03773	2.1
70.45325	4.4
70.45689	6.9
71.04986	4.0
73.02910	2.7
81.03404	15.8
82.06589	5.0
84.01564	2.2
85.02898	16.2
86.03167	2.0
86.09689	5.0
87.04445	3.8
94.06558	2.0
97.02891	12.3
98.97572	6.3
99.04450	5.2
100.07581	11.5
101.00848	12.6
103.02380	2.6
109.02860	17.5
110.01264	2.9
110.97577	3.5
112.99133	2.7
115.02441	4.4
115.03914	3.2
116.98597	3.5
119.01907	47.7
120.01949	3.5
127.03925	8.9
128.02258	3.2
128.98576	2.8
131.00148	6.4
131.01910	7.1
133.03458	7.9
133.04959	2.5
137.02954	8.2
139.02444	3.2
143.01888	8.4
145.03452	12.9
146.99538	2.2
147.01396	2.7
147.03084	10.3
149.01216	12.5
155.01772	2.5
156.02472	3.0
156.03624	34.1
156.06575	3.5
156.53748	3.0
157.03445	22.0
159.01439	2.2
159.05009	3.8
160.02145	3.8
161.02921	25.0
167.02116	6.1
167.54320	2.4
169.03600	2.9
173.03043	3.7
175.04536	18.9
176.01094	4.8
182.04170	2.8
183.04990	2.4
185.02930	13.2
187.04546	3.8
199.04523	7.2
199.51576	2.2
201.06163	2.6
203.04044	9.3
217.05502	8.1
220.04878	3.2
221.05119	3.0
222.05861	3.1
228.05717	20.6
228.55943	2.8
235.06718	4.2
237.06239	17.7
237.56367	2.5
245.05096	3.4
246.08202	4.0
253.07683	6.9
259.06509	3.9
277.07651	49.2
278.07886	4.5
293.05374	5.4
295.08731	100.0
296.09003	5.8
309.10391	2.4
311.06247	2.9
318.10541	4.5
322.10526	2.6
323.06567	3.0
325.17114	2.1
331.05310	2.7
341.07565	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	317.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36551	1.2
53.03936	1.9
55.01849	3.6
57.14950	1.4
67.05497	8.5
68.76962	1.3
69.03400	3.1
69.07033	5.5
69.93148	3.0
69.93555	7.5
70.06564	3.9
72.08121	1.8
75.84387	1.2
79.05488	30.9
81.03416	21.2
81.07016	5.3
83.04926	2.5
84.04458	3.3
85.02842	2.5
86.09675	2.3
91.05466	13.1
93.03378	1.7
93.06603	1.1
93.07030	11.5
95.01269	1.8
95.04958	12.3
95.08590	2.2
97.02831	1.4
97.06502	3.6
103.05420	1.9
105.07016	12.4
107.04960	19.2
107.08574	18.6
109.02834	1.9
109.06470	3.3
109.10133	4.1
115.05402	1.7
116.07055	2.0
117.06961	4.9
119.08578	6.4
119.41753	1.6
121.02845	8.7
121.06486	15.1
123.04382	5.5
128.06177	3.4
129.06927	5.0
131.04886	3.3
131.08505	5.3
133.06471	2.5
133.10120	8.0
135.07973	1.8
137.05873	2.3
137.09554	2.8
139.07434	2.0
143.08603	7.3
145.06429	5.2
145.10054	4.9
147.04309	3.4
147.07951	2.0
149.05914	4.7
151.07478	2.4
152.06143	1.7
153.01729	1.5
153.06920	2.5
155.06735	14.4
155.08485	2.1
157.10060	5.2
159.08038	9.2
159.11661	1.7
161.04770	2.5
161.05972	31.0
161.09605	38.9
165.07007	1.6
166.07619	2.1
167.06932	3.7
167.08434	2.9
169.10126	2.2
170.11711	3.4
171.07965	3.5
173.05905	3.0
173.09502	2.7
174.13112	1.4
175.07477	2.3
177.09062	1.4
179.03334	3.8
179.08485	3.2
181.06335	1.7
181.10063	6.5
183.07982	3.2
183.11661	1.9
185.04230	11.7
185.09473	2.2
186.96579	1.5
188.12691	4.7
191.08531	1.5
191.19324	1.5
192.09204	1.8
194.07191	2.5
195.07927	2.8
197.05843	2.6
197.09552	3.0
197.13153	1.4
199.07431	2.7
203.05186	5.0
203.10555	3.2
205.06454	2.1
205.08427	2.5
207.07993	1.5
207.11588	2.3
209.09564	12.2
209.13045	1.2
211.07388	5.2
211.11043	4.1
213.08917	1.5
220.08739	1.7
225.05458	2.2
225.08920	8.1
225.12668	7.8
229.04938	2.6
235.11165	6.6
237.09004	6.0
237.12642	3.7
238.06122	2.5
239.06956	3.8
253.08533	16.6
253.12187	10.0
254.09216	5.4
255.09998	3.1
255.13690	1.6
257.04593	2.0
271.09650	2.9
271.13141	19.4
281.08005	9.5
281.11591	5.5
287.10037	2.7
289.10754	2.3
299.09113	12.2
299.12637	17.8
300.09882	1.6
302.04129	1.9
317.06268	7.0
317.11905	100.0
317.21136	2.6
337.43954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01863	4.5
55.05505	12.9
57.07055	8.1
57.76460	2.2
59.04977	4.9
67.05143	3.3
67.05496	66.4
69.03406	7.8
69.07041	6.8
70.06570	5.8
70.15217	11.2
71.04969	4.5
79.05473	13.7
81.03400	4.1
81.07048	34.9
83.04961	5.4
83.08597	5.5
85.06486	2.3
88.07604	10.0
91.05474	22.2
93.07033	24.7
95.04383	4.0
95.04955	34.2
95.08596	23.8
97.06502	7.1
98.21360	3.7
102.09152	8.0
105.07017	20.4
107.04975	3.2
107.08574	46.8
109.06506	24.8
109.10143	100.0
110.10442	2.9
111.08080	2.4
117.06992	7.6
119.04903	2.7
119.08569	59.8
121.06483	6.3
121.10149	10.2
123.08054	32.9
125.09633	2.7
129.07022	2.5
131.08553	6.4
133.06471	4.1
133.10112	11.2
135.08051	15.9
135.11668	4.2
137.09601	73.2
138.09868	2.7
139.07475	2.6
143.08527	7.9
145.10118	10.2
146.07361	2.4
147.08012	6.9
147.11647	8.0
149.09581	7.2
151.07524	68.4
152.07858	3.1
153.05460	5.1
156.09283	3.5
157.10069	4.6
157.32748	2.2
159.08057	3.9
159.11723	5.2
161.05943	4.0
161.09601	14.2
161.13200	2.8
163.11156	6.5
165.09062	8.8
167.07037	2.7
171.11655	7.5
173.09648	2.5
173.13255	4.6
175.11230	4.9
177.09129	5.0
181.08530	5.3
181.12180	2.7
183.11670	3.4
185.13194	2.5
189.12746	31.2
197.13197	4.9
201.12727	2.7
203.14316	3.0
207.13759	30.6
213.12508	2.3
215.14316	3.7
221.15280	5.9
231.13847	3.0
233.15375	4.1
237.14864	8.1
243.13770	7.8
256.26395	18.4
261.14859	5.3
281.18973	3.5
299.19958	11.6
317.06436	4.2
317.21085	76.0
318.21332	8.2
318.29959	35.7
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	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03930	7.2
55.01855	6.5
55.05504	3.0
65.03918	3.5
65.52925	2.1
67.05492	14.1
68.99783	9.9
69.03407	4.5
69.07067	9.3
77.03910	2.3
78.18622	1.5
79.05483	25.0
81.03424	14.3
81.07049	10.1
83.04967	4.6
85.02891	2.9
91.05466	16.6
93.03400	3.7
93.07036	12.0
94.04178	1.9
95.01340	2.6
95.04418	1.9
95.04966	21.0
95.08582	5.8
97.02877	6.9
97.06544	10.5
101.20842	1.6
103.05463	4.4
105.04546	2.1
105.07027	14.4
106.04214	1.6
106.06481	1.6
107.04952	15.0
107.08570	15.5
108.05730	1.9
108.41016	1.6
109.02879	25.7
109.06513	15.9
109.10138	4.5
111.04395	2.5
114.99757	1.6
115.05426	3.6
117.07021	4.5
119.04951	2.0
119.08559	7.5
121.02840	3.7
121.06499	17.0
123.04419	81.2
123.08108	2.2
125.02306	3.4
125.05976	6.1
128.06160	2.1
129.06975	4.7
131.04909	3.7
131.08521	6.7
133.06479	6.8
133.10118	8.4
135.04401	12.8
135.07996	4.0
135.11674	2.1
136.05179	1.7
137.02293	3.6
137.05946	13.9
137.09570	2.5
138.03110	2.2
138.05470	6.0
139.03874	8.2
139.07495	4.9
141.07033	3.0
142.07751	1.7
143.08549	4.6
145.06450	6.0
145.10075	4.4
147.04411	13.7
147.08008	2.5
148.85077	1.6
149.05978	31.8
149.07190	2.4
150.03049	4.9
150.06641	1.9
151.03867	5.9
151.07516	3.2
153.01814	17.0
153.05447	28.0
155.04907	2.2
155.06969	5.5
155.08499	2.9
157.06453	2.4
157.10135	5.6
159.04362	2.4
159.08029	5.7
159.11639	3.1
161.05962	21.0
161.09604	20.2
163.03888	20.5
163.07375	1.6
164.04631	2.0
164.08324	1.8
165.05501	1.6
165.09105	3.8
166.04997	14.7
167.03369	4.7
167.07024	91.0
168.07426	1.8
169.04967	3.6
169.06360	1.9
169.10060	1.7
173.05856	3.7
173.09605	3.2
177.05431	17.3
177.09183	2.1
178.06210	5.4
179.03368	1.9
179.07013	6.9
181.04976	9.7
181.07370	15.1
181.10089	3.3
182.05742	35.5
183.06482	13.4
183.07988	3.1
183.11630	2.1
185.05920	1.9
185.09537	1.7
187.07549	3.4
191.03421	3.2
191.07001	32.0
192.07808	54.3
192.09573	3.1
193.04979	3.2
193.08591	9.2
193.10049	1.7
195.06404	2.4
195.09009	4.0
197.09573	1.8
199.07532	3.0
201.05405	3.7
203.03334	4.6
203.10783	2.1
205.04913	2.7
205.08607	1.7
207.06580	2.5
207.11737	3.1
211.11140	1.9
212.04630	1.6
213.05418	2.5
214.06300	1.7
217.08580	2.4
221.04286	3.0
225.12694	4.8
227.06950	2.7
229.04947	16.1
229.08492	3.1
231.02869	5.6
231.10095	2.0
235.11063	3.7
237.12740	2.5
243.06462	2.5
247.09769	2.2
253.08522	3.3
253.12219	7.5
255.10027	1.7
257.04507	16.0
259.15527	2.1
271.06079	2.4
271.13193	9.7
273.07327	3.6
281.11786	3.9
285.03937	14.3
289.10690	4.3
299.09174	4.4
299.12790	9.8
302.04001	7.8
317.06464	100.0
317.10156	91.1
317.13458	15.0
317.21130	6.2
318.06766	5.8
318.10556	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	317.1014
Annotation	Daldinal B
Peak:m/z	Relative Intensity
51.23861	0.6
53.03945	0.6
53.76349	0.5
55.05484	0.6
56.67060	0.5
65.03927	0.7
66.93655	0.5
67.05494	2.6
68.99775	2.9
70.06567	0.7
72.34299	0.5
73.20293	0.5
79.05485	1.8
81.03406	5.1
83.04965	4.3
88.07624	0.9
91.05456	3.3
95.04961	5.7
103.05434	1.0
105.07003	1.7
107.08563	0.9
109.02882	1.4
109.06512	1.0
109.10149	0.5
121.06490	12.7
123.04408	43.6
135.08020	2.2
137.05954	2.4
139.07510	5.5
144.26163	0.6
148.05203	0.9
149.05951	7.7
149.07033	0.7
151.03882	100.0
151.07507	27.6
151.08743	1.3
152.04222	2.2
153.01817	4.9
161.05998	2.0
161.09535	1.3
163.03893	4.6
163.07541	4.0
164.08365	3.2
167.07025	2.5
168.17668	0.6
177.09113	2.4
179.03357	20.5
190.06219	0.9
201.09190	1.2
205.08603	1.9
229.08603	0.7
256.26358	1.7
271.09656	1.1
271.13260	0.9
283.06128	0.9
289.10660	9.3
299.09128	4.1
317.06702	1.5
317.10147	23.1
317.13644	1.0
317.20834	1.0
318.29886	3.6
336.26843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Philenopteran
Peak:m/z	Relative Intensity
53.03929	2.0
53.10667	0.9
55.01865	7.3
55.05511	4.7
65.03912	1.6
67.05482	1.9
69.07075	4.7
69.88907	1.9
69.89320	3.5
79.05492	16.2
81.03394	1.3
81.07052	11.6
83.04960	2.2
91.05478	6.7
95.04933	3.9
97.06516	7.4
98.21234	1.7
99.08115	1.2
103.05428	3.4
105.07003	2.1
107.04932	2.4
107.08614	0.9
115.05418	2.0
117.07002	1.9
119.04944	5.5
128.06207	2.6
129.06995	2.6
131.04910	5.9
131.08545	1.3
134.03613	2.7
135.04375	1.7
135.11679	0.9
141.06963	1.8
145.06409	3.0
146.03618	1.0
147.04382	5.4
153.01733	2.5
153.07045	1.1
154.07736	0.9
157.06494	2.8
159.04391	11.3
160.04991	1.1
160.08768	1.0
161.05925	2.2
161.09584	1.9
163.03912	3.2
165.07007	1.6
167.07033	1.1
171.04305	1.0
171.07979	1.1
173.05969	3.4
175.03896	3.9
177.05524	1.3
179.08519	1.8
183.04436	1.2
183.08035	1.3
185.05956	63.5
186.06357	1.4
187.03856	1.4
187.07468	2.0
188.08287	4.0
191.03358	8.5
197.05888	2.1
197.09619	1.3
198.06641	1.4
199.07501	1.7
203.03398	6.9
205.04984	5.2
209.09651	2.3
211.03896	1.0
213.05434	4.9
216.04077	1.0
217.04938	1.2
225.09071	3.6
227.10638	12.4
229.04924	9.1
231.02997	7.1
231.06493	29.8
242.05634	1.9
249.03906	12.3
253.08640	2.3
257.01779	1.2
257.04425	23.1
263.05405	1.1
271.05881	1.4
271.09482	1.8
273.11145	3.5
275.05466	30.6
281.07983	1.8
285.03848	1.6
299.09116	20.4
299.12509	1.1
302.03976	1.6
317.06522	11.4
317.10126	100.0
318.10474	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	317.1015
Annotation	Pendulone
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	1.5
55.05512	0.6
65.03935	2.8
67.05489	4.4
68.02636	0.8
68.99785	0.9
69.03442	0.8
69.07056	1.5
69.71491	4.5
79.01839	1.0
79.05475	6.5
81.03405	3.2
81.07031	0.9
82.04230	0.7
83.04957	1.5
91.05468	8.8
93.03389	1.3
93.07037	3.2
95.04948	12.5
95.05519	1.2
95.08582	0.7
97.06517	3.0
101.63914	0.7
105.06996	3.1
107.04932	3.9
107.08583	4.0
109.06511	1.3
109.10138	1.0
110.03645	2.7
111.04424	3.5
113.05974	1.5
115.05448	0.7
117.07000	1.0
119.04900	2.3
119.08567	1.3
121.02866	1.4
121.06502	3.4
121.10143	0.7
122.03632	1.3
123.04408	100.0
124.04711	1.0
125.02359	0.7
125.05966	10.4
126.03078	1.3
128.06160	0.8
129.06979	0.9
131.04898	1.2
131.08511	1.8
133.06528	0.7
133.10104	3.0
135.04390	2.7
137.05988	1.0
139.03882	3.4
140.04683	2.0
141.05441	13.9
141.06540	1.1
143.08537	1.3
145.06467	1.4
145.10146	1.2
147.04379	87.6
148.04808	2.4
149.06007	3.7
149.07126	0.6
150.03104	0.9
151.03845	0.7
151.07559	1.1
152.04643	1.4
153.01808	2.2
153.05420	4.9
154.06172	1.5
155.06985	1.9
159.08005	1.4
161.05959	4.0
161.09583	7.6
163.03860	2.2
167.07043	1.7
169.04930	16.4
171.06477	2.0
171.07974	1.3
175.03885	1.3
177.05505	0.7
177.09224	0.8
179.06956	1.3
183.06552	2.9
183.07973	1.0
185.09624	0.8
192.04189	3.1
195.06499	2.9
201.05441	1.1
201.08963	0.8
207.06497	36.6
208.06891	1.4
209.09584	1.0
211.11093	0.7
225.05316	0.8
225.09018	1.0
225.12750	1.4
229.04808	1.1
229.08572	1.2
231.02867	1.4
253.08511	1.5
253.12146	2.2
257.04376	2.1
257.07971	0.7
271.13330	3.2
273.07587	0.7
274.04138	0.6
281.08200	0.8
281.11401	1.0
285.03906	1.4
285.07440	0.8
286.33972	0.7
299.09131	1.7
299.12711	3.7
302.03964	1.9
317.06396	11.5
317.10019	26.7
317.13925	3.6
317.20795	1.2
318.10297	1.2
336.40826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1015
Annotation	Philenopteran
Peak:m/z	Relative Intensity
53.03928	1.5
55.01860	8.9
55.05499	4.7
67.05473	2.9
69.03419	1.5
69.07066	5.4
69.58255	7.3
76.38635	1.0
79.05477	13.7
80.06250	1.6
81.03378	1.9
81.07043	8.9
83.04961	1.6
91.05466	6.7
93.07011	1.6
95.04923	3.1
97.06526	7.3
98.21124	3.3
99.07972	1.0
103.05434	3.1
105.06992	1.8
107.04945	5.4
115.05428	3.3
117.21401	0.9
119.04910	6.3
119.08596	1.4
121.02821	1.6
121.06476	2.1
123.04407	4.6
125.05888	0.8
128.06169	2.4
129.06944	2.4
129.53391	0.9
131.04927	6.5
131.08533	1.3
134.03587	2.8
135.04401	9.7
141.06990	1.8
143.08540	0.8
145.02840	1.7
145.06404	4.0
145.10147	1.2
147.04402	6.5
149.02307	2.4
149.05988	1.5
150.02647	1.5
153.01773	2.5
153.05424	2.8
154.07739	1.2
157.06442	2.6
159.04399	13.1
159.08008	1.6
160.05275	1.3
161.05954	3.4
161.09578	2.7
163.03867	6.0
164.04613	1.5
165.05125	1.9
165.06915	1.8
167.06978	3.8
168.07779	1.6
169.06435	1.6
171.07999	0.9
173.05916	5.3
175.03885	2.8
177.05357	1.5
179.07031	1.8
179.08488	1.2
181.06387	1.3
183.08064	1.5
184.05164	1.3
185.05952	67.1
186.06383	2.7
187.03906	1.7
187.07492	3.1
188.08244	3.5
191.03380	9.5
197.05940	2.3
197.09608	2.5
198.06720	2.0
199.07507	2.2
201.05408	1.7
203.03391	7.5
204.03786	1.3
205.04918	7.0
209.09537	1.1
210.06651	1.0
211.03906	1.4
213.05331	3.9
216.04181	1.3
218.05496	1.0
225.09138	2.1
227.10625	8.9
229.04924	11.6
230.05389	1.2
231.02975	6.3
231.06485	25.2
232.06696	1.3
235.11188	1.1
242.05647	4.0
249.03886	12.1
250.04277	1.0
253.08493	2.0
257.04395	24.6
271.06024	1.3
271.09595	2.5
271.12762	1.1
273.11072	2.8
275.05441	27.1
276.05804	1.2
281.08057	2.3
285.03714	1.9
289.10632	4.6
299.09106	17.9
300.05750	1.1
302.04227	1.2
317.06378	17.2
317.10074	100.0
318.10397	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	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
57.03419	0.8
57.07061	0.4
60.79454	0.4
63.93767	0.3
65.03909	0.5
67.05471	0.6
68.99763	1.7
69.03385	0.5
69.07062	2.6
70.18395	1.6
71.05361	0.4
79.05480	0.9
81.03376	0.8
82.00546	0.5
83.04971	1.9
91.05435	0.8
91.24120	0.4
92.02592	1.6
93.03381	1.4
93.07001	0.5
95.04957	0.8
97.06516	0.8
105.07030	1.0
107.01303	0.6
107.08556	0.7
109.06506	0.4
111.04447	0.4
115.05453	1.1
117.06978	0.5
121.02827	1.0
123.04365	1.1
128.06216	0.5
129.06987	0.9
131.04904	1.5
133.06461	0.5
135.04352	0.9
137.02309	0.4
139.03871	1.1
139.05396	0.7
141.06938	0.5
143.04811	0.5
145.06412	1.1
147.04387	1.1
149.05917	0.6
150.03102	16.8
151.03868	0.6
152.06116	0.5
153.01799	26.8
153.06967	0.6
154.02110	0.5
155.04904	2.3
155.08507	0.6
157.06493	1.0
159.08017	0.4
159.11703	0.5
161.05934	4.9
161.09593	0.9
163.03883	0.9
165.01810	0.9
165.06978	1.7
166.07745	1.7
167.04845	0.5
167.08548	1.0
169.06494	0.5
169.10103	1.0
170.02063	2.5
171.07835	0.4
173.05980	7.7
175.03821	2.3
176.04498	0.6
177.01834	0.4
177.05432	2.9
178.07730	0.5
179.03325	0.5
179.08459	2.2
181.06456	1.1
181.10092	1.5
182.07195	0.5
183.04428	0.6
183.08090	0.8
185.05943	1.9
187.03867	1.3
187.07555	0.8
188.08279	1.3
189.05492	1.8
191.03398	1.3
191.08521	0.7
194.07294	1.5
195.08041	1.6
197.06003	1.5
197.09660	1.2
198.06708	0.6
199.07475	1.1
200.04756	0.9
201.03664	0.8
201.05438	11.7
201.09062	0.9
202.05780	0.6
203.03363	4.5
203.07022	0.6
204.04068	0.8
205.04893	3.0
207.08014	1.8
209.09604	6.1
210.06769	1.7
211.03871	1.2
211.07443	2.1
212.08293	0.5
213.05482	1.8
213.09109	1.1
215.03412	1.0
215.06978	0.8
215.10667	1.0
217.04851	2.7
219.02840	1.3
221.04353	0.7
225.05458	1.0
225.09071	6.2
226.06248	0.6
227.07045	0.8
227.10625	4.3
228.04150	3.2
229.04942	11.4
229.08560	1.2
230.05505	0.6
231.02791	1.4
231.06395	0.9
233.04390	0.8
235.07520	1.2
237.09070	2.4
238.06099	0.7
239.03358	2.0
239.06989	1.0
241.05045	0.6
243.06480	0.8
243.10150	12.9
244.10426	0.7
245.04485	2.1
245.08188	0.7
246.05074	1.8
247.02370	0.9
253.08565	8.3
254.09315	1.4
255.10228	1.0
255.17801	0.8
256.03647	0.8
257.04407	8.8
257.08060	1.7
261.07458	0.7
271.06079	2.0
271.09625	7.4
273.03934	1.4
273.07388	0.5
273.11209	0.5
274.04666	3.4
275.08987	0.5
281.08047	5.0
284.03149	1.3
285.03882	11.0
286.04318	1.1
289.07275	0.4
297.21173	0.5
299.05664	1.0
299.09125	5.0
299.12512	0.6
301.03406	0.8
302.04178	22.8
303.04562	1.0
317.06512	100.0
318.06900	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	317.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.1
55.01863	2.9
57.03433	1.2
65.03933	2.1
65.56722	0.8
67.05499	2.1
68.99786	4.0
69.07040	2.3
69.32214	4.9
69.32641	4.3
71.01350	0.8
76.34444	0.7
79.05489	7.5
81.03406	3.3
81.07026	1.6
85.02919	1.0
90.11246	0.9
91.05480	4.4
92.02602	1.3
93.03385	2.2
93.07032	2.3
95.04939	3.9
97.02892	1.1
97.06519	1.5
98.21414	1.4
105.07014	2.0
107.04926	1.6
107.08576	2.6
115.05404	1.3
117.06994	3.0
119.04865	1.3
119.08553	1.3
121.02876	4.6
121.06495	2.9
123.04411	6.1
126.03158	0.9
128.06242	1.5
129.07002	2.7
131.04898	2.5
131.08524	1.3
133.02834	1.9
133.10115	2.3
135.04408	1.6
137.02364	1.0
137.05952	4.7
139.03882	1.1
141.06972	3.8
142.07765	1.3
143.08525	2.4
144.05673	1.1
145.06479	2.7
145.10091	1.2
147.04384	5.6
150.03117	1.3
151.03931	2.2
152.06265	2.0
153.01813	18.3
153.06973	4.4
153.08023	0.9
153.55699	0.8
154.02177	0.9
155.08534	3.7
157.06456	1.8
157.10115	1.3
159.04367	1.3
159.08025	3.1
160.05135	0.9
161.05956	7.8
161.09634	6.2
163.03908	1.3
165.01848	1.0
165.05669	0.9
165.06984	5.5
166.07712	4.5
167.08534	8.0
168.05656	2.1
169.06432	2.8
169.10092	2.9
170.02132	0.9
170.07285	1.9
171.08035	1.8
173.05965	11.1
175.03839	5.0
175.07510	2.0
177.05440	2.9
178.07755	2.1
179.08543	12.0
181.06464	6.1
181.10080	9.5
182.07253	2.2
183.02907	0.9
183.08018	6.5
185.05969	3.3
185.09570	2.7
186.06721	1.1
187.03871	1.7
187.07512	6.4
187.08983	1.1
188.08302	25.2
191.03275	2.1
191.08488	2.1
193.06459	1.5
194.07243	5.5
195.08005	9.6
197.05930	5.9
197.09608	3.7
198.06631	4.2
199.07535	5.5
199.11230	0.8
200.04694	1.1
201.05432	2.7
201.09036	2.7
203.03354	12.7
203.05098	1.1
203.07014	1.2
204.03830	1.4
205.04938	2.3
207.08018	11.2
208.08681	1.4
209.06241	1.2
209.09598	22.7
210.06679	7.6
211.07507	17.2
212.08290	3.9
213.05464	2.0
213.09084	11.1
215.03354	1.7
215.06984	4.5
215.10649	1.9
216.04156	3.7
217.03151	1.2
217.04939	5.0
219.02852	3.0
221.04301	1.2
225.05473	2.9
225.09077	40.0
226.06172	1.4
226.09474	1.2
227.07011	2.5
227.10625	15.0
228.04160	3.0
229.04927	10.0
229.08461	5.0
231.02895	7.8
231.06493	1.0
232.03329	1.3
235.07487	5.4
235.11147	2.2
237.09070	7.3
237.59822	0.9
238.06172	3.5
239.07007	8.0
241.04895	1.8
243.06535	1.8
243.10091	11.3
245.04460	3.3
245.08067	1.4
245.11783	1.3
246.05132	4.1
247.02336	3.6
253.08563	33.1
253.11931	1.6
254.09145	4.5
255.10132	4.9
257.04538	6.2
257.07962	12.6
259.02365	7.4
260.03110	1.0
261.03897	1.0
261.07419	1.1
263.07013	1.9
271.02509	1.9
271.09634	29.2
271.13208	2.7
272.09705	0.9
273.03900	3.3
273.07281	1.0
273.11118	3.8
274.04688	13.3
281.08099	17.5
281.11377	1.3
285.03918	7.6
289.03464	2.4
289.07047	3.1
289.10461	1.4
299.05682	1.8
299.09134	30.8
299.12775	3.2
300.09540	1.2
301.03394	1.2
302.04153	20.9
303.04431	1.8
317.02884	14.5
317.06516	100.0
317.10275	13.7
317.14255	2.9
318.03598	1.1
318.06839	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	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.91830	0.8
55.01862	1.9
55.05490	4.0
57.03426	5.9
60.21478	0.8
65.03930	1.1
67.05489	2.4
68.99793	1.1
69.03427	1.1
69.07046	3.2
71.04985	2.7
79.05480	6.6
81.03394	2.6
81.07034	1.7
83.04961	7.6
91.05457	4.0
92.02609	2.3
93.03392	2.4
93.07029	2.2
93.11608	0.7
93.76521	0.9
95.04949	2.2
95.08572	1.4
97.02844	1.3
97.06519	13.1
103.05428	2.7
105.07023	5.8
107.04945	1.0
107.08572	2.8
109.02845	1.0
115.05440	3.5
117.07010	5.2
119.04877	1.1
119.08554	1.7
121.02848	3.7
121.06477	3.0
121.10121	1.0
123.04389	1.6
126.03106	1.1
128.06190	2.4
129.06981	2.7
131.04910	5.2
131.08557	1.5
133.06451	2.7
133.10104	1.9
135.04422	2.1
137.02274	1.3
137.05989	1.0
139.03877	1.1
139.05431	0.9
141.06973	2.8
143.04959	1.0
143.08510	1.4
144.05650	1.4
145.02832	1.8
145.06462	10.0
145.10066	1.1
147.04407	3.5
147.08174	0.9
149.05931	1.6
150.03122	1.6
151.03893	1.2
152.06168	1.1
153.01810	20.4
153.05443	1.3
153.06937	2.2
154.02248	1.1
154.07767	1.3
155.04913	2.6
157.06474	3.2
159.04407	8.4
159.08028	4.1
160.05116	1.2
161.05960	8.1
161.09641	3.5
163.03868	1.8
164.04686	1.0
165.06990	2.3
166.07782	1.2
167.04880	1.2
167.08554	1.2
169.06436	2.2
169.10219	1.3
171.04425	3.0
171.08063	1.0
172.05188	1.5
173.02425	1.6
173.05946	13.5
175.03859	6.5
175.07414	0.9
177.05438	3.1
179.08507	5.0
181.06491	3.4
181.10136	2.3
182.07289	1.7
183.04430	2.8
183.08031	1.4
184.05183	3.4
185.05962	5.9
187.03830	6.2
187.07501	4.4
188.04596	1.1
188.08295	7.1
189.05414	2.6
189.06992	1.0
189.08977	1.3
191.03406	2.0
191.08507	1.0
194.07280	1.2
195.08022	1.1
197.05917	4.3
197.09589	2.8
198.68414	0.8
199.03920	1.9
199.07533	2.1
200.04659	20.7
201.01736	0.9
201.05421	15.7
201.09006	4.5
203.03397	5.8
203.06972	1.2
205.04977	2.2
206.09378	2.0
207.08018	3.8
209.09621	4.2
210.06738	1.7
211.03880	1.5
211.07510	2.5
213.05403	6.8
214.06125	1.3
215.03455	8.0
215.06967	15.4
215.10365	1.2
216.04144	2.3
217.04921	4.8
218.05528	1.5
219.02986	0.9
221.04292	1.4
225.05571	4.6
225.09039	9.7
227.07062	1.3
227.10583	2.5
228.04141	5.5
229.01402	1.5
229.04930	13.7
229.08621	2.3
231.02870	14.7
232.03458	1.1
233.04419	12.4
235.07449	4.1
236.08195	1.0
237.09093	2.6
238.06239	3.0
241.04886	1.1
242.05702	1.2
242.09351	3.4
243.06499	2.6
243.10179	4.5
245.04364	4.7
246.05170	3.2
247.02344	9.0
247.06131	1.3
253.08614	11.1
253.12364	1.6
254.08989	1.9
255.06502	1.4
255.10149	3.6
256.03610	1.2
257.01663	1.9
257.04404	35.8
258.04977	2.1
267.10349	0.8
270.05267	1.0
270.08792	1.4
271.09653	12.9
271.13168	2.4
273.03955	3.6
273.07587	10.2
273.10629	1.6
274.04669	7.0
274.07645	1.7
275.05319	2.1
281.08035	14.7
284.03107	1.3
285.03915	7.8
287.12848	1.2
299.09100	67.8
300.09531	4.0
302.04132	22.3
303.04514	1.1
317.06540	100.0
317.10257	8.7
318.06873	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1015
Annotation	Philenopteran
Peak:m/z	Relative Intensity
53.03935	1.7
53.59295	1.2
55.01863	8.7
55.05489	4.0
57.03433	9.1
65.03907	1.3
67.05492	4.8
69.03402	2.0
69.07054	9.3
69.55450	8.7
70.26487	1.0
79.05485	17.7
81.03397	5.3
81.07037	10.7
83.04964	3.0
84.28009	1.2
85.02893	1.6
91.05473	9.1
93.07025	2.0
95.04958	4.8
97.06517	12.7
98.20751	2.9
99.08070	2.5
103.05445	2.8
105.06997	4.6
107.04926	3.6
107.08578	3.7
113.42147	1.3
115.05453	3.7
117.06992	2.3
119.04913	5.5
119.08532	2.0
121.06477	2.7
128.06192	2.8
128.21123	1.1
129.06956	3.1
129.46632	1.2
131.04938	6.5
131.08530	1.7
134.03625	1.4
135.04326	1.4
140.35342	1.2
141.06958	2.5
143.08498	1.5
145.06456	4.9
147.04378	5.7
149.05942	1.7
151.07535	1.5
153.01768	2.2
155.08447	1.4
157.06494	3.6
159.04407	21.2
159.08035	3.6
160.05066	1.4
161.05949	7.7
161.09613	9.4
163.03848	3.6
165.07054	1.7
167.08571	1.3
169.06456	4.2
169.10130	1.6
170.07259	1.2
173.05928	3.8
175.03868	3.5
177.05467	1.8
179.08459	2.4
183.04349	2.0
183.07886	1.7
185.05951	48.6
186.06392	1.2
187.07497	4.1
188.08307	6.2
191.03371	10.3
197.05943	2.9
197.09601	1.6
198.06694	1.4
199.07552	1.7
201.05452	3.8
201.09070	3.6
203.03394	10.4
205.04906	5.1
207.08020	1.4
209.09612	1.5
211.03839	1.8
211.07570	1.5
213.05437	3.5
217.04892	1.5
225.09055	5.1
225.12769	2.7
227.10623	12.1
229.04938	10.1
231.02888	20.3
231.06454	23.6
242.05782	3.3
243.06474	2.2
243.10245	2.0
245.04402	1.6
249.03868	9.5
253.08437	3.1
253.12251	3.0
257.04419	29.0
270.04996	1.4
271.09601	2.8
271.13245	3.5
273.07513	12.0
273.11063	2.7
275.05417	24.1
281.08252	1.3
281.11713	1.4
285.03806	1.4
287.05457	2.3
299.09140	24.8
299.12439	2.5
302.04065	1.4
317.06534	13.2
317.10104	100.0
317.13663	3.7
318.10364	4.9
335.89868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
57.03419	1.5
65.03910	0.3
67.01848	0.5
68.99776	3.4
69.03400	0.5
70.84451	0.9
71.17231	0.2
79.05465	0.4
84.08154	0.2
85.02877	0.4
88.29391	0.3
91.05450	0.6
92.02596	1.4
93.03378	1.2
95.04972	0.4
98.20878	0.3
103.05429	0.4
105.03364	0.9
111.00829	0.3
111.04455	0.4
115.05449	0.7
117.06977	0.7
119.04946	0.4
121.02858	1.7
121.06451	0.3
122.03613	0.3
124.01402	0.3
126.03104	0.6
128.06212	0.5
129.06969	0.6
131.04907	0.9
133.02841	0.7
135.04393	0.8
137.02274	0.6
139.03906	1.3
139.05498	0.3
141.06979	0.4
143.04863	0.3
145.02832	0.5
145.06473	1.4
147.04370	0.8
149.02316	0.7
150.03120	2.1
151.03862	0.7
153.01802	18.4
155.04886	0.6
157.06448	1.2
159.04366	0.4
161.05974	1.2
161.09586	0.6
163.03871	1.1
164.04613	0.3
165.01819	0.6
167.08446	0.3
171.04413	0.4
172.05241	0.3
173.05949	2.0
177.01836	0.4
177.05432	0.5
179.03421	0.7
179.08519	0.5
181.06377	0.4
181.10229	0.3
182.07364	0.3
183.04346	0.6
183.08044	0.3
184.05121	0.7
185.05968	1.0
187.03900	1.1
188.09784	0.3
191.03372	2.8
192.04053	0.4
194.02110	0.4
194.07275	0.4
199.07440	0.6
200.04660	0.8
201.05423	2.7
203.03391	3.1
204.04131	1.4
205.04932	2.8
207.08076	0.4
209.04410	0.4
209.09575	1.4
211.03886	0.3
211.07550	0.5
213.05449	2.3
213.08902	0.3
215.03358	0.8
217.05013	1.6
218.05702	0.6
219.02884	0.4
225.09120	1.5
227.07001	0.4
228.04106	2.5
229.04929	21.1
230.05391	0.6
231.02859	1.7
233.04437	0.5
237.09076	0.6
238.06213	0.4
239.03403	0.7
239.07051	0.4
240.04150	0.3
241.04951	0.9
243.06413	1.9
245.04405	2.0
246.05116	1.5
247.05939	0.5
253.08531	2.8
254.09154	0.7
255.10080	0.4
256.03638	0.5
257.04410	18.7
258.04907	0.5
259.02435	0.5
260.03177	0.3
261.07541	1.1
271.05994	3.1
271.09137	0.6
273.04059	1.6
273.06601	0.3
273.18994	0.4
274.04678	3.4
281.08020	1.6
284.03180	1.6
285.03903	16.9
286.04425	0.4
289.07028	0.7
299.05490	1.2
299.09109	1.8
302.04175	11.0
317.06512	100.0
318.06842	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	317.0652
Annotation	Milimorin
Peak:m/z	Relative Intensity
55.01866	0.3
56.68071	0.3
65.03918	0.9
68.99779	1.2
69.07051	0.3
69.43055	2.7
79.05488	0.8
81.03400	0.6
91.05482	0.3
92.02610	3.6
93.02855	0.4
93.03398	3.1
93.19470	0.3
95.04945	0.7
105.07027	0.3
106.00155	0.3
107.08540	0.4
109.02834	0.4
111.00787	0.4
121.02849	2.7
123.04430	0.4
126.03096	1.0
129.06996	0.3
131.02383	0.3
133.10103	0.3
137.02290	0.8
139.03871	1.5
141.07014	0.5
145.06482	0.6
147.04428	0.4
150.03024	0.9
151.03877	1.8
152.06209	0.4
153.01807	20.2
153.06934	0.6
155.04884	0.6
157.06444	0.3
161.05954	1.0
161.09572	0.6
163.03934	0.6
165.01819	1.3
165.06992	0.7
166.02536	0.3
166.07808	0.5
167.08536	0.6
169.06491	0.4
170.02089	0.3
172.05232	0.3
173.05948	1.4
175.03867	0.4
177.05505	0.5
179.03386	0.4
179.08513	1.2
181.06429	0.7
181.10123	1.1
183.02859	0.7
183.04390	0.6
183.08015	0.8
184.05188	0.5
185.05936	0.4
187.03922	0.6
187.07449	0.7
188.08286	0.8
190.06209	0.4
191.03418	0.4
191.08455	0.7
192.04147	0.3
193.06525	0.3
194.07291	1.2
195.07985	0.7
197.05949	1.1
197.09625	0.6
199.07510	1.0
200.04691	0.9
201.05469	2.2
203.03387	2.4
204.04257	0.4
205.04988	0.4
207.08043	1.0
209.09607	6.7
210.06676	0.5
211.07527	2.0
213.05391	0.3
213.09096	0.8
217.04961	3.5
218.05669	1.5
219.02914	0.9
219.08090	0.5
225.05429	1.2
225.09065	5.4
226.06160	0.7
227.10628	0.4
228.04138	4.3
229.04938	9.1
229.08356	1.4
230.05336	0.5
231.02905	1.5
232.03654	0.4
235.07611	1.0
237.05434	0.3
237.09061	3.5
238.06091	1.7
239.03290	0.4
239.06956	1.2
243.06413	0.4
243.10332	0.4
245.04442	4.5
246.05174	3.4
253.08559	10.2
254.09283	2.2
255.10152	1.2
256.03693	1.1
257.04407	6.0
257.08087	1.6
259.02539	0.4
260.03165	0.7
261.07541	0.6
271.05881	0.7
271.09619	2.1
271.12427	0.4
271.23300	0.4
273.03891	3.5
274.04706	8.0
274.07690	0.4
281.08044	5.9
284.03149	0.7
285.03891	9.7
286.04416	0.6
287.04468	0.5
299.09140	5.9
299.12457	0.4
301.03415	0.6
302.04160	24.7
303.04446	0.7
317.06519	100.0
318.06873	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
57.93771	0.2
65.03922	0.8
66.76799	0.2
68.99776	0.8
69.07048	0.7
69.95226	1.4
71.05016	0.2
79.05473	0.2
91.05462	0.5
92.02608	3.1
93.03397	3.4
94.04174	0.3
109.02835	0.3
111.00800	0.4
121.02839	2.0
123.04424	0.3
126.03098	1.1
132.70795	0.2
135.04442	0.3
137.02324	0.5
139.03870	1.1
139.38171	0.3
145.06442	0.5
147.04468	0.3
149.05934	0.3
150.03036	1.2
151.03874	1.4
151.04945	0.3
152.01093	0.3
153.01810	18.7
155.04858	0.6
155.08607	0.3
157.06529	0.3
159.04337	0.3
161.05931	1.0
163.03851	0.4
165.01808	1.3
166.02605	0.3
173.05966	1.9
175.03856	0.4
177.05397	1.0
179.08563	0.4
183.02905	0.4
183.04395	0.5
185.06036	0.3
187.03870	0.5
187.07620	0.3
189.05522	0.4
190.06165	0.3
191.03380	0.3
192.04163	0.3
196.66022	0.3
197.09625	0.4
200.04634	1.0
201.05409	3.7
203.03354	2.4
205.04886	0.4
209.09639	0.8
211.03902	0.4
212.65813	0.2
213.05396	0.3
215.03488	0.2
215.07045	0.3
217.04947	3.8
218.05766	1.3
219.02911	0.8
220.31415	0.2
221.04355	0.4
225.09055	0.7
227.10634	0.6
228.04147	4.0
229.04926	6.4
231.02885	1.3
231.06119	0.3
235.07472	0.3
239.03423	0.6
243.06525	0.3
243.10176	2.7
245.04425	3.9
245.08113	0.3
246.05203	3.5
247.02151	0.3
253.08574	0.7
256.03574	0.6
257.04419	4.6
260.03076	0.6
261.07596	0.7
271.06067	0.8
271.09616	1.3
273.03903	3.8
274.04684	7.2
281.08032	0.5
284.03125	1.0
285.03909	6.2
286.04456	0.4
288.06152	0.4
299.05701	0.2
299.09027	0.9
302.04172	22.6
303.04556	0.8
317.06522	100.0
318.06885	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	317.0652
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
51.02365	0.2
53.00291	0.2
53.03934	0.4
53.65703	0.2
55.01852	0.7
55.05500	0.2
56.48604	0.2
57.03434	1.4
59.90963	0.2
60.67450	0.1
65.03902	0.4
67.05495	0.9
68.99782	1.4
69.03418	0.3
69.07039	0.7
69.31958	1.5
69.32379	0.4
70.06564	0.3
77.03914	0.2
79.01820	0.6
79.05489	3.6
81.03404	3.0
81.07019	0.6
82.00564	0.3
83.04948	0.2
83.43170	0.1
84.08115	0.4
85.02906	1.5
86.09686	0.2
91.05466	2.3
93.03407	0.3
93.07020	1.4
95.01315	0.2
95.04954	1.8
95.08584	0.2
97.02887	1.3
97.06518	0.4
103.05430	0.3
105.03385	0.9
105.07017	1.6
107.01308	1.1
107.04939	21.0
107.08569	2.1
109.02851	0.4
109.06528	0.3
109.10113	0.2
111.04397	0.6
112.01538	0.3
114.09104	0.2
115.05440	0.6
117.03359	0.2
117.07022	0.8
117.84560	0.2
119.04933	2.4
119.08561	0.9
120.49695	0.2
121.02841	1.4
121.06477	1.5
121.10133	0.2
123.04416	1.8
125.02323	0.6
128.03926	0.1
128.06215	0.7
129.06979	1.0
131.04904	2.1
131.08540	0.7
133.02824	0.9
133.06465	0.6
133.10110	1.1
135.04405	2.8
136.01541	0.2
136.07562	0.2
137.02327	1.6
137.05946	0.7
137.09651	0.2
139.03862	0.5
139.05383	0.7
141.06972	0.3
142.07747	0.2
143.08525	0.9
144.05673	0.3
145.06493	1.4
145.10089	0.6
147.04387	2.2
147.08054	0.2
149.02267	0.5
149.05989	0.6
150.03099	3.2
151.03873	0.6
151.07504	0.3
153.01807	16.5
153.05321	0.3
153.06993	0.3
154.02129	0.2
155.04892	2.7
155.06096	0.2
155.08507	0.5
157.06442	0.6
157.10144	0.4
159.04405	1.6
159.07965	0.8
160.05023	0.2
161.02350	0.4
161.05965	3.1
161.09602	4.1
163.03891	1.9
164.04721	0.4
164.06970	0.2
165.01834	0.4
165.05412	0.5
165.06938	0.4
166.07675	0.3
167.04866	0.3
167.07018	0.9
167.08533	0.4
169.06474	0.5
169.18027	0.2
170.02090	1.1
171.04361	0.3
171.08020	0.5
173.05959	2.1
173.09572	0.3
175.07549	0.2
176.01057	0.2
176.04636	0.2
177.01799	0.3
177.05511	0.9
177.09108	0.2
178.07739	0.2
179.03369	3.0
179.08545	0.5
181.06456	0.3
181.10133	0.3
182.07202	0.2
182.10954	0.2
183.04410	1.5
183.07924	0.3
183.11653	0.3
184.05136	0.7
185.05937	1.0
185.09583	0.3
187.03928	1.2
187.07494	0.5
188.08430	0.2
191.03369	4.0
192.04129	0.3
193.04958	1.1
193.10059	0.2
194.02112	0.5
195.04344	0.4
195.08069	0.4
197.05951	0.3
197.09563	0.4
197.13173	0.2
199.07532	0.4
200.04654	0.6
201.05441	6.8
202.05896	0.3
203.03358	3.4
204.04144	1.7
205.04927	4.5
205.08508	0.3
207.02974	0.2
207.08043	0.4
207.11707	0.5
209.04335	0.8
209.09651	0.5
210.06728	0.2
211.03891	1.5
211.07664	0.3
211.11137	0.5
212.04648	0.3
213.05450	2.8
215.03345	0.6
215.06970	1.3
217.04933	0.3
219.06329	0.2
225.05496	0.2
225.08986	0.8
225.12665	0.9
227.03394	0.3
227.07024	0.6
227.10657	0.2
228.04120	2.3
229.04936	19.0
230.05289	0.5
231.02843	1.8
232.03749	0.4
232.19116	0.2
233.04395	0.9
235.11177	0.5
237.09113	0.3
237.12675	0.5
239.03377	0.5
239.07140	0.2
240.04121	0.3
241.04893	1.6
243.02766	0.2
243.06461	2.1
245.04486	0.3
246.05296	0.2
253.08501	1.9
253.12173	0.8
255.06425	0.2
255.13712	0.2
256.03616	1.1
257.04422	18.2
258.04932	0.6
261.07501	1.2
263.06918	0.3
267.02805	0.4
268.03464	0.3
271.05991	3.5
271.09668	1.9
271.13269	1.8
273.03830	0.5
273.07413	0.2
274.04684	0.5
281.05148	0.2
281.08127	1.0
281.11713	0.8
284.03131	2.0
285.03909	15.1
286.04324	0.3
287.10242	0.6
289.03363	0.2
289.07068	0.3
289.11234	0.3
299.05713	1.8
299.09558	1.0
299.12787	2.0
302.04196	5.7
317.06519	100.0
318.03299	0.1
318.06830	3.0
318.10303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03946	0.8
55.01872	0.6
55.05503	4.8
56.05028	4.9
57.03426	0.6
57.07061	2.3
60.04516	100.0
67.05493	9.8
68.05029	0.8
69.07057	5.5
70.06575	0.7
71.06251	0.4
71.06590	1.3
71.08604	0.9
72.04502	2.6
74.06069	2.0
75.31571	0.4
79.05480	5.9
80.05019	1.1
81.03402	1.7
81.07049	10.2
82.06585	1.3
83.04964	0.5
83.08624	4.0
85.10146	0.5
85.75786	0.4
86.06062	0.5
87.04450	1.5
88.07640	0.5
90.05553	1.3
91.05466	4.0
93.07035	3.9
94.06577	0.6
95.04950	2.2
95.08582	7.7
96.08144	0.5
97.06538	1.0
97.10161	1.7
100.07611	0.7
103.25661	0.6
105.07021	2.7
107.08562	3.0
109.10150	3.5
111.08043	0.7
111.11720	0.5
117.07005	0.8
119.08601	2.4
121.06518	0.9
121.10126	2.1
122.09680	0.7
123.11710	1.0
131.08620	0.6
133.10095	2.3
135.11659	1.0
137.09613	0.8
147.11700	0.6
149.05966	0.8
153.01799	1.0
161.05971	2.7
161.09558	2.3
162.75421	0.5
165.07327	0.5
169.10107	0.6
183.29158	0.5
235.11174	1.0
237.12785	0.6
250.25235	1.0
253.12270	1.0
256.26303	0.8
262.25308	1.4
268.26263	1.0
271.13297	1.4
280.26321	10.9
281.26706	0.7
285.03827	0.7
298.27365	12.4
299.12698	1.4
299.28091	0.7
316.05374	0.8
316.08841	0.7
316.28421	32.3
317.06537	5.0
317.10019	1.0
317.13861	1.6
317.21143	0.9
317.28754	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	315.122
Annotation	Ponganone VII
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	1.0
61.28632	0.5
67.05489	2.2
68.99783	4.5
71.11547	0.5
71.59364	0.6
74.40247	0.4
79.05483	4.6
81.03445	0.5
81.07044	5.1
82.02423	0.6
91.04969	0.8
91.05460	4.8
93.07013	1.5
94.04168	0.8
95.04953	4.8
95.08578	0.7
97.06538	0.6
103.05461	2.6
105.07006	1.1
107.04939	2.0
108.05700	0.9
109.05759	0.8
109.06500	12.5
115.05450	2.8
117.07000	4.5
119.04910	3.2
121.06480	3.9
123.04415	39.8
123.08060	3.9
131.04939	0.8
133.06474	0.8
135.08017	2.1
137.05960	100.0
138.06310	1.8
145.06456	15.2
147.04391	4.9
149.05971	11.4
151.07542	7.0
161.05945	2.1
163.07539	10.6
165.05457	56.2
166.05737	0.7
167.03418	0.7
173.05959	8.0
177.09146	0.7
179.07011	26.2
191.07056	4.4
203.03444	0.7
216.04192	1.7
217.08499	0.6
231.06560	0.6
244.03668	0.9
255.02832	1.8
255.06395	0.6
259.05978	0.6
269.07877	0.7
283.05960	0.9
283.09369	0.6
285.03897	1.6
287.05499	1.9
299.05472	1.3
300.02631	1.2
300.06100	1.2
315.04919	6.8
315.08603	8.9
315.12234	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
55.01865	3.9
55.05500	8.6
57.03429	3.4
65.03913	2.9
67.05495	17.8
68.99762	1.9
69.03424	2.3
69.07066	9.5
71.08614	1.9
71.61991	2.5
79.05475	28.0
81.03422	1.9
81.07045	22.8
83.04951	2.7
83.08594	4.4
91.05458	19.8
93.07029	39.6
93.07593	3.2
95.04926	8.3
95.08584	36.6
97.02881	1.7
97.06513	14.2
97.10148	2.8
103.05491	1.8
105.03400	1.8
105.07008	36.2
107.04931	4.8
107.08574	45.9
109.06509	3.8
109.10143	20.6
111.04413	7.6
115.05424	3.8
117.07004	5.6
118.84824	1.7
119.08569	24.1
120.64627	1.4
121.06478	6.3
121.10119	34.4
123.04430	4.9
123.08007	2.8
123.11685	5.0
125.05968	4.7
128.06227	3.1
129.07005	8.2
131.04900	2.7
131.08510	9.6
133.02797	2.3
133.06462	3.6
133.10068	15.2
135.04408	4.9
135.08022	4.1
135.11642	15.6
137.02309	4.7
137.05945	7.1
137.09561	2.4
139.07477	1.8
141.06931	2.7
142.07758	2.4
143.08527	9.5
145.06474	3.7
145.10117	16.0
147.04367	2.1
147.11668	9.6
148.05193	9.6
148.12413	1.8
149.02275	4.7
149.05952	1.9
149.09625	2.4
149.13237	7.1
151.07524	2.3
153.01823	8.2
153.05415	2.0
154.02544	1.5
155.08475	10.3
157.06540	2.0
157.10106	9.9
159.08006	3.7
159.11624	9.1
160.05136	3.4
161.05937	6.7
161.09602	4.6
161.13249	4.3
163.03868	3.6
163.07504	3.1
163.14778	2.0
164.04689	2.7
165.05582	2.6
165.07008	3.7
165.09114	3.3
167.03334	2.7
167.07072	2.8
167.08423	3.3
167.10599	1.7
169.10110	3.7
170.02045	1.7
171.04332	2.0
171.08067	2.2
171.11696	6.5
173.06061	2.4
173.09581	4.8
173.13242	5.7
175.07463	3.5
175.11115	1.9
175.14752	1.8
177.06989	2.5
177.09105	2.4
178.07701	2.4
179.03238	1.7
179.06987	7.8
179.08455	3.7
179.10596	3.0
181.06429	4.8
181.10040	1.9
182.05681	3.4
183.02878	3.1
183.11649	2.8
185.05984	2.9
185.09639	3.8
185.13225	5.1
187.03850	1.9
187.11148	2.8
187.14751	5.4
189.05391	3.4
189.09052	2.5
189.16336	6.0
191.10645	5.7
193.06500	2.6
193.08522	1.9
193.12158	1.9
195.08069	5.2
197.05994	5.3
197.09602	2.7
199.03828	2.4
199.07492	2.0
199.11159	3.8
199.14861	2.7
200.04620	3.1
201.05470	1.6
201.12706	3.3
203.03305	7.3
203.10652	2.1
205.04843	3.0
205.06555	2.7
205.12273	4.0
207.08067	3.4
207.13768	2.8
209.06027	2.1
209.13377	2.1
211.03831	2.2
211.07506	6.9
212.04597	2.3
213.05447	4.2
213.12683	4.6
213.16252	1.6
216.04140	24.5
217.04887	3.4
217.12207	3.8
219.06429	2.4
219.13835	2.5
220.34740	2.0
223.07419	9.0
223.14879	1.9
225.05505	1.8
225.08948	8.8
225.16377	1.9
227.03395	9.2
227.06949	10.8
227.14322	1.9
227.17845	4.6
228.03859	2.7
229.04897	4.4
231.02896	5.0
231.06471	9.1
231.13594	3.4
235.07544	2.2
240.04140	2.1
241.04933	3.9
241.08589	3.1
241.19499	6.1
243.02831	1.7
243.06418	3.8
244.03642	14.9
245.04301	4.4
251.07069	5.4
253.04955	6.7
254.05716	3.7
255.02855	28.1
255.06430	6.6
255.11166	2.5
256.03482	3.7
257.04379	4.7
259.06006	14.4
259.09473	2.2
268.03616	2.4
269.04428	5.1
269.08057	19.4
269.18951	7.9
271.05984	5.6
272.03214	4.5
273.03925	2.6
281.04437	3.6
282.05206	8.1
283.02368	5.2
283.05957	5.8
284.03116	7.7
285.03757	12.0
287.05472	32.8
287.08643	3.7
287.19955	14.2
288.05875	1.7
297.07611	2.7
297.18030	2.7
299.05405	11.9
300.02594	13.3
300.06247	12.0
301.03372	7.7
315.04901	81.2
315.08578	100.0
315.13037	16.9
315.19415	6.7
315.23114	3.6
316.05423	10.7
316.08981	10.9
316.13672	1.7
330.71194	1.6
333.20621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
51.02378	0.9
53.03930	3.0
54.47445	0.5
55.01855	0.8
55.05493	1.0
59.61303	0.5
65.03934	1.0
68.99787	2.5
69.07048	0.6
71.62029	0.7
77.03900	0.7
78.04701	0.8
79.05482	33.7
81.07046	4.2
91.05470	6.8
93.07027	2.0
94.04163	1.1
95.04958	7.0
95.08600	1.1
97.06512	1.7
103.05458	2.6
105.03351	0.9
105.04480	1.1
105.07017	10.8
106.04175	1.0
107.04940	66.2
107.08559	0.6
108.05276	1.1
109.06498	1.6
111.08115	0.6
114.16231	0.6
114.63388	0.5
115.05401	0.9
117.06986	0.6
119.04904	1.3
119.08498	0.7
121.06493	3.9
122.03628	2.3
123.04401	1.6
124.05191	9.5
125.05978	8.3
131.04831	0.5
131.08536	1.1
133.02798	1.0
133.06477	13.1
135.04408	12.9
135.08040	1.2
137.02328	1.6
137.05949	7.4
139.07506	1.4
145.06477	0.7
145.10083	1.2
145.11470	0.6
147.04404	3.7
147.11690	0.6
148.05222	0.8
148.07535	0.8
149.05934	2.9
151.03877	1.0
151.07523	5.2
152.04663	4.4
153.05531	3.1
160.05200	0.5
161.05963	28.5
163.07512	3.8
165.05420	2.3
167.07019	100.0
168.07303	1.3
179.07014	2.0
180.07784	0.7
181.08527	1.7
182.13362	0.6
191.06969	0.9
195.08014	0.7
201.09116	0.8
213.05649	0.5
213.09100	0.8
215.03387	0.7
215.10667	0.7
216.04100	1.4
223.07472	1.7
228.04083	0.7
244.03568	0.7
251.07045	1.3
253.04633	0.6
255.02876	1.7
255.10149	1.7
259.06165	0.6
271.13272	0.7
281.04492	0.7
282.05017	0.5
283.09644	2.7
285.03882	2.6
287.05438	1.4
287.08984	0.9
297.11313	1.2
299.05524	1.3
300.06168	1.4
306.60153	0.6
315.04874	4.9
315.08536	10.7
315.12247	19.3
315.19522	1.8
315.23160	1.7
316.12491	1.2
324.01984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.62994	0.5
68.99458	0.5
68.99792	1.5
70.21592	1.0
70.22004	1.6
87.53159	0.5
92.25156	0.5
98.20811	0.7
104.46249	0.5
107.04916	1.2
120.65110	0.6
121.02837	0.5
121.06168	0.5
137.02315	25.5
149.02321	11.4
153.05428	1.5
164.04668	3.2
184.05153	3.3
187.03929	2.7
189.05449	5.9
201.05444	1.9
212.04652	11.1
213.05368	0.7
215.03355	11.0
216.03819	0.7
227.07050	0.7
229.04964	2.0
239.03391	1.4
240.04140	10.4
241.04871	0.7
249.32063	0.6
255.06490	7.4
257.04416	14.7
258.04712	0.5
267.02847	1.1
268.03632	6.7
269.04382	2.0
283.05933	5.2
285.03900	63.9
286.04077	1.2
287.09030	0.6
300.06256	22.7
315.08572	100.0
316.08728	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	315.0856
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
57.50823	0.4
66.44273	0.4
70.84170	0.8
95.04982	0.4
123.00766	1.3
128.06204	1.4
134.03613	2.1
137.02295	1.9
138.03049	0.5
139.05510	0.6
145.02800	0.5
148.05142	2.0
151.00188	0.9
152.00996	1.5
153.01797	2.3
155.04884	0.6
156.05661	1.1
160.05116	0.4
161.02327	0.4
166.02618	1.3
167.03365	3.9
167.04837	1.1
169.01233	0.9
170.02112	0.6
173.05925	0.8
175.03986	0.5
183.04337	1.2
184.03609	2.5
184.05162	2.0
200.04596	0.6
201.05379	1.7
211.03809	1.0
212.04660	5.1
213.05328	0.8
215.06934	0.5
216.04114	0.9
216.07785	0.9
217.05019	0.5
223.03920	0.6
226.06160	0.9
227.03394	0.7
227.06984	1.3
229.04881	2.5
231.06413	0.5
240.04158	6.6
241.04636	0.9
243.06462	4.3
244.03654	0.9
244.07230	1.9
255.02858	2.2
255.06465	4.1
257.04413	3.0
259.09576	1.3
267.02737	1.8
268.03607	5.4
271.05984	1.7
272.06671	2.2
282.05133	0.7
283.05954	4.3
285.03922	4.2
287.05524	1.3
299.05450	3.2
300.06238	42.0
301.06613	2.0
315.05124	6.6
315.08548	100.0
316.05511	0.8
316.08932	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	315.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.5
55.05501	6.5
56.96559	100.0
57.03428	19.4
59.04976	2.9
59.72149	2.8
60.95835	2.5
61.02914	9.4
67.05485	4.6
69.03420	47.6
69.97325	13.0
70.06584	12.3
70.98112	7.2
71.04977	4.5
73.02902	11.4
74.97639	3.7
75.04438	3.5
77.00888	4.2
77.73055	2.5
80.04998	4.1
81.03415	8.1
81.07021	3.1
82.06580	16.7
84.08154	15.8
84.96011	5.0
85.02899	48.2
86.03189	3.9
86.09685	3.4
87.04467	24.3
88.99171	6.3
91.05467	32.8
94.04215	2.9
97.02883	51.5
98.03208	7.0
98.09732	3.2
98.21400	4.7
98.97574	82.3
99.97945	3.9
101.00883	7.3
103.05433	3.1
105.06979	3.9
108.08121	9.6
109.02883	7.0
110.97546	6.9
115.03918	11.1
116.00217	5.1
116.98608	79.7
117.01847	3.3
117.04016	4.0
118.98286	4.1
119.00149	5.6
119.01913	18.8
119.04951	29.8
121.02832	3.2
121.06522	4.6
122.03652	3.4
126.86237	3.1
127.03921	10.2
128.07056	30.5
128.98590	14.6
129.10225	3.2
130.93221	3.0
131.01900	10.6
131.04837	2.9
133.03473	8.6
133.04948	6.8
133.06467	3.2
134.05988	3.3
134.99649	44.8
136.06169	35.8
136.07573	29.7
137.05893	78.3
137.08153	2.9
138.06339	2.7
140.00243	3.7
140.05005	6.9
141.02246	6.4
142.01903	3.0
143.00165	4.3
144.99806	5.1
145.03479	6.6
145.04869	3.5
146.01233	8.8
146.99661	16.4
147.03339	2.4
147.04373	65.8
149.02939	6.0
152.07047	5.2
153.00652	6.2
153.07480	5.4
154.08577	13.4
155.01910	5.2
158.99643	22.4
159.03273	8.2
159.05051	6.9
161.01186	5.7
161.02942	9.9
163.02773	8.2
164.02264	11.4
164.07056	31.8
165.00670	10.1
165.02007	2.9
167.01645	2.7
170.99588	3.5
171.04976	4.8
172.94279	5.4
172.97562	10.1
173.02917	6.2
174.00664	6.5
174.04417	3.3
175.03984	3.6
177.00706	26.9
177.02269	5.3
177.04218	5.1
177.05765	3.8
179.07051	19.2
181.03613	6.7
182.03387	6.0
185.01189	5.0
185.02986	4.1
185.04749	3.1
186.04390	7.6
187.00937	3.3
187.02736	5.5
189.02504	3.6
189.04820	4.4
190.95389	15.1
190.98604	26.6
191.00204	4.8
192.98730	4.9
193.04053	4.0
195.55721	4.8
197.06577	5.6
199.04446	4.8
201.00719	3.7
202.03853	5.0
202.10698	8.6
203.02249	14.5
204.05490	10.5
205.00258	7.8
205.02060	3.9
205.03877	5.5
208.04918	30.7
208.55077	8.7
208.96475	8.0
208.99701	7.7
211.02808	3.6
217.05429	51.2
217.55669	11.0
218.07031	3.5
218.98111	7.7
218.99942	3.4
219.01793	9.1
221.05104	10.9
223.01187	6.4
228.56287	4.9
229.03839	3.7
232.96434	6.6
232.99736	13.7
235.02745	12.0
236.99132	5.3
237.02765	17.5
237.06224	3.4
241.03757	3.6
243.72189	3.5
245.01341	4.3
247.04863	4.9
248.57043	4.9
250.97292	3.8
251.00754	9.9
253.03816	12.6
255.03987	3.8
258.06693	3.3
261.08374	5.6
271.05032	4.5
275.00674	3.3
276.07550	19.5
277.03949	5.7
279.09274	12.7
282.07489	4.6
282.57373	3.7
285.08179	8.9
290.97028	12.7
295.04807	6.2
297.08121	9.3
297.11075	4.5
297.58261	6.7
315.07397	54.8
315.12476	12.2
315.15723	4.9
316.07962	5.5
316.13821	12.1
333.08603	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	315.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01869	4.0
55.05506	1.3
57.03431	13.8
65.03930	1.1
65.98240	0.9
67.05492	3.4
68.99783	2.2
69.03416	1.9
69.07055	1.4
70.06585	2.4
71.13867	2.3
75.28850	1.0
79.05489	3.2
81.03411	4.0
81.07065	1.3
83.04923	1.1
85.02898	24.2
91.05459	5.6
93.07040	2.7
94.06620	1.2
95.04964	4.7
95.08588	1.4
97.02887	3.9
97.06502	8.2
105.06994	5.1
107.01350	1.4
107.04981	1.2
107.08602	1.5
109.02871	4.4
115.05457	3.5
117.07008	1.1
119.04943	2.1
119.08568	3.2
121.02853	3.8
123.04412	1.9
125.02338	4.6
125.06004	2.1
127.03964	0.9
128.06195	3.0
129.06996	7.6
130.07808	1.5
131.04898	1.5
131.08569	2.7
133.02881	1.4
133.06506	9.1
135.04320	1.2
135.08031	1.4
137.02367	2.9
137.05969	3.0
141.07016	3.2
142.07756	2.3
143.04947	1.7
143.08534	1.8
144.08069	1.7
145.06477	2.4
145.10104	1.5
147.04373	4.8
147.08066	4.7
148.05196	1.5
148.07668	1.7
148.08820	5.4
149.02309	3.6
151.03896	1.3
152.06209	4.1
153.01857	6.8
153.07025	2.8
154.07649	1.7
155.06003	1.2
155.08533	2.0
157.06488	3.4
157.10143	1.9
157.13364	1.2
158.06065	1.7
159.07964	2.3
160.05203	3.3
161.05956	14.5
162.05507	3.4
164.07018	1.5
165.07025	3.1
166.07617	1.8
167.03386	1.6
167.08546	7.4
168.05641	1.3
169.06395	1.4
169.07625	3.8
171.02896	4.1
171.04440	3.6
173.05963	2.8
173.09711	1.2
175.03862	5.5
175.07515	9.5
176.08301	9.0
177.01810	2.2
177.07016	1.5
178.07843	2.2
179.08562	4.8
181.06459	2.4
182.07355	2.4
184.05225	1.6
185.04477	1.3
185.06026	3.2
185.09618	2.1
186.06764	1.7
187.03906	1.7
187.07512	5.0
189.05475	4.1
191.03560	1.3
195.02869	100.0
195.07935	10.8
197.05984	3.2
197.09622	3.6
198.06781	3.0
198.09247	1.2
199.07576	4.7
200.04707	2.1
201.05507	1.9
202.02695	1.5
203.03345	5.1
203.06912	8.9
204.07793	34.2
205.04941	1.3
207.02754	1.1
207.07936	1.7
210.06679	1.9
211.03835	1.6
211.07449	2.5
212.04611	2.0
213.05455	3.9
213.08955	8.6
215.07121	1.5
216.04137	11.7
217.04910	3.2
223.07455	8.7
225.08966	7.6
226.06229	2.1
227.03320	7.6
227.06865	2.0
228.07796	1.7
229.08643	1.1
231.02864	3.4
231.06485	6.1
237.05377	1.2
240.04158	1.8
241.04910	2.7
241.08469	22.8
243.02866	1.5
243.06447	6.1
243.10085	2.4
244.03638	9.0
251.07057	4.8
253.08844	1.5
253.13315	1.7
255.02863	19.6
255.06532	2.2
255.11118	3.4
259.06039	5.2
259.10828	7.7
265.08548	1.6
269.04984	1.5
269.08063	19.0
269.12640	1.5
271.05881	1.5
271.14111	1.4
272.03119	2.2
273.04276	1.3
273.07593	2.5
279.06445	3.1
279.11145	1.7
283.02310	3.1
283.09644	3.1
285.03842	2.6
287.05515	12.0
287.09116	13.6
297.07648	7.7
297.12109	4.5
300.02664	5.9
300.05954	2.1
301.03424	1.7
315.04965	62.5
315.08618	26.8
315.13321	28.3
315.19650	2.2
316.05560	3.3
332.96564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.34969	0.5
56.96548	0.6
65.03914	0.7
67.05473	0.7
71.62008	0.8
75.17783	0.6
79.05461	1.3
81.03429	0.5
86.02076	0.6
91.05466	1.3
91.99404	0.5
93.07017	0.6
95.04931	1.2
95.08605	0.6
97.02847	0.7
97.06504	1.4
98.97578	1.3
105.03344	0.7
105.07017	0.8
107.04905	0.6
116.98534	0.8
119.04955	0.9
120.02150	0.6
121.02885	1.0
121.06486	0.9
123.04408	4.9
124.01522	0.7
130.69328	0.6
133.02820	7.2
133.10014	0.5
137.02338	1.4
137.05948	5.7
139.03891	0.6
145.10013	0.8
147.04457	0.6
148.05162	39.3
149.02345	2.8
149.05656	1.1
152.01012	3.2
153.01782	2.7
153.05383	0.9
153.06873	0.6
161.05928	1.4
163.03853	1.8
164.04614	1.9
167.03349	2.4
167.06987	2.6
167.08443	1.2
168.05667	0.6
170.02074	3.8
175.03851	1.1
177.00574	0.6
177.05443	0.7
178.06213	0.6
179.03394	0.9
179.07025	3.5
188.04581	0.9
189.05324	0.6
193.08540	1.6
197.05872	0.7
199.03757	0.6
203.03284	1.9
211.03893	0.8
212.04572	0.8
213.05421	1.9
215.06885	0.9
216.04185	3.9
217.04819	0.8
223.07506	0.9
227.03297	2.1
227.06990	1.2
229.04845	1.4
231.06490	1.5
240.04099	2.2
241.04723	0.7
241.08685	0.8
243.06474	1.6
244.03568	2.5
253.04898	1.9
254.05710	1.5
255.02829	6.0
255.06441	2.4
255.11113	1.2
256.07156	1.2
257.04416	2.9
259.06073	1.3
259.09576	7.5
268.03607	2.4
269.04251	1.2
269.07959	1.9
271.06024	1.6
272.03174	0.9
272.06616	1.2
281.04501	0.9
282.05139	1.5
283.02341	2.0
283.05927	6.3
283.09650	0.9
284.02988	0.8
285.03952	3.5
287.05411	4.9
287.09021	2.9
299.05399	4.2
300.02637	1.5
300.06183	15.3
301.06512	0.9
303.12204	1.3
315.04919	13.7
315.08508	100.0
316.05521	2.8
316.08884	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	315.0858
Annotation	Coeloginin
Peak:m/z	Relative Intensity
53.90323	0.3
59.62928	0.3
61.11668	0.4
61.46422	0.3
68.99776	0.5
70.21219	0.9
70.73152	0.3
79.05495	0.5
91.05498	0.5
94.04136	0.3
95.08582	0.5
97.06501	0.6
103.05484	0.4
104.91722	0.4
107.04923	0.5
107.08566	0.4
112.19746	0.3
118.04099	0.4
119.04899	0.3
121.02860	0.5
123.04402	1.5
124.01554	0.9
131.04895	0.3
132.05675	0.7
133.02805	0.7
135.04378	0.4
136.34364	0.3
137.02278	0.6
137.05948	1.4
139.03925	0.4
148.05179	5.0
149.02318	1.9
150.03200	0.4
151.60680	0.3
152.01035	1.0
153.01811	4.5
155.04866	0.3
163.07472	0.6
167.08670	0.4
169.06458	0.5
170.02121	1.6
178.02618	2.7
179.03377	0.9
179.07008	0.6
183.02858	2.9
188.04587	0.4
192.04314	0.3
195.53061	0.3
197.05936	0.8
198.06630	0.6
199.07581	0.4
209.05927	0.5
212.04616	0.6
213.05443	1.2
215.07025	1.4
216.04134	0.6
223.07495	0.5
226.06204	2.0
227.03493	0.4
227.07062	0.9
229.04971	1.5
231.06549	0.8
240.04057	0.6
241.04938	1.0
242.05699	0.6
243.06566	1.5
253.04922	14.5
254.05725	6.1
255.02849	1.4
255.06544	1.1
257.04416	2.2
259.09634	1.5
268.03583	1.4
269.04428	1.6
269.08054	0.9
270.05109	0.6
271.05969	11.4
272.06897	0.5
281.04416	6.8
282.05185	19.5
283.05975	3.7
284.03314	0.5
284.06689	1.2
285.03952	2.8
287.05566	0.9
287.09055	0.6
299.05469	16.1
300.02847	0.4
300.06174	6.5
315.08566	100.0
316.08884	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	315.0856
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
63.75098	0.1
64.40625	0.1
69.59483	1.0
79.05481	0.3
82.00539	0.6
86.44780	0.1
91.05437	0.2
103.05419	0.2
105.03358	0.2
105.07002	0.3
109.06495	0.5
118.04123	0.2
121.06516	0.2
123.04401	4.3
124.01543	0.3
127.06665	0.1
133.02820	8.2
134.03220	0.3
135.08041	0.3
137.02304	0.2
137.05948	7.2
138.06284	0.2
148.05157	57.5
149.05475	2.2
151.03912	0.2
152.01035	0.5
153.01801	1.9
153.07011	0.3
161.05986	0.2
163.07539	0.3
165.05437	0.3
165.70967	0.2
170.02072	3.4
179.03323	1.5
179.07001	0.7
184.05222	0.2
187.14464	0.1
193.08456	0.2
211.03918	0.2
212.04677	0.3
213.05420	0.3
213.09126	0.2
215.03439	0.2
216.04117	0.2
226.06229	0.3
227.06911	0.3
229.04936	0.7
240.04166	1.3
241.04890	0.4
241.08591	0.3
243.06552	0.4
253.04855	0.2
255.02802	0.3
255.06451	0.3
256.07104	0.2
257.04404	2.6
259.09625	2.2
260.09778	0.2
268.03604	3.5
269.04358	1.4
269.07672	0.3
270.05179	0.2
270.08478	0.2
271.05899	0.5
272.06702	0.7
282.05148	0.2
283.05957	9.1
284.06317	0.6
285.03912	1.0
285.06754	0.3
287.08990	0.7
299.05423	2.9
300.06210	10.3
301.06525	0.7
315.08548	100.0
316.08908	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	315.086
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
57.03423	0.7
57.44356	0.4
68.99766	0.6
70.16295	2.2
79.05444	0.7
81.07046	0.8
91.05442	0.9
93.06999	0.8
97.02844	0.4
103.05424	0.4
105.06960	0.4
108.19099	0.4
109.06493	0.9
117.06992	0.7
118.04115	1.7
119.04910	1.3
123.04400	2.8
123.08076	0.6
124.52922	0.4
131.08597	0.5
135.04372	0.4
137.02324	4.7
137.05966	7.1
145.06454	1.1
147.04398	0.9
148.05165	1.3
149.02310	4.6
149.05919	0.6
151.07509	0.5
152.06062	0.6
153.01837	2.1
155.04890	0.5
156.05563	0.5
163.07535	0.8
164.03371	0.7
164.04663	6.6
165.05510	2.7
165.06740	0.8
168.05688	1.0
170.02057	1.0
170.07173	0.6
171.08026	1.3
173.05942	1.3
178.02589	1.1
179.07021	2.0
181.06427	1.5
184.05193	3.4
185.05884	1.0
187.03857	1.3
188.04698	0.6
196.05183	1.2
197.05942	8.5
198.06612	0.7
199.03860	0.6
200.04593	1.3
201.05464	1.0
203.03346	1.8
211.03838	1.3
211.07506	1.6
212.04675	7.8
213.05338	1.5
215.03493	0.7
215.07108	0.5
216.04189	2.7
217.04967	0.8
223.07564	0.5
224.04671	0.8
225.05432	7.7
226.06250	11.1
227.03403	1.5
227.06969	5.2
228.04131	0.6
229.04893	1.3
231.02835	1.0
231.06529	1.1
237.05374	1.5
239.03355	3.8
239.06993	0.6
240.04034	3.4
241.04761	0.6
243.06453	1.1
244.03668	2.1
253.04958	5.4
254.05719	12.3
255.02852	4.4
255.06461	10.0
255.10434	0.4
256.07294	0.6
257.04324	0.9
259.06003	1.5
259.09598	1.5
265.04922	0.4
267.02869	0.6
268.03601	1.6
269.04404	1.2
270.05032	0.5
271.06003	3.3
272.06421	0.5
281.04471	2.3
282.05206	11.8
283.02615	0.9
283.05890	5.7
283.09158	0.6
284.03143	0.7
284.06284	0.5
285.03964	2.7
286.04666	0.7
287.05502	3.4
299.05472	7.8
300.02637	1.7
300.06207	8.9
301.06512	0.7
315.04990	11.5
315.08542	100.0
316.05594	5.7
316.08975	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	315.0856
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.27797	0.3
54.40304	0.3
55.05486	0.4
67.05472	0.5
68.12290	0.3
68.99773	0.5
79.05467	0.9
83.08604	0.3
88.64922	0.3
91.05422	0.3
95.04932	0.5
98.20677	0.7
99.08334	0.3
103.05452	0.8
105.06989	1.0
107.04937	0.4
109.06498	0.8
119.04984	0.3
121.06499	0.6
121.58667	0.3
123.04417	5.4
123.19164	0.3
124.01563	0.7
133.02823	6.5
133.06435	0.4
135.08028	1.1
137.05954	10.5
137.07008	0.6
139.03889	0.9
148.05165	40.0
149.02345	2.0
149.05597	1.2
152.01039	0.8
153.01808	3.2
161.05946	0.4
163.03958	0.5
165.05573	0.3
167.07037	0.7
170.02100	0.7
179.03378	3.4
179.63210	0.3
184.05161	0.5
212.04704	0.8
213.05424	0.8
216.04166	0.6
226.06152	0.3
227.06972	0.6
229.04883	2.0
231.06352	0.4
240.04219	1.6
241.04871	0.8
243.06454	0.7
254.05676	0.5
255.02969	0.5
255.06415	0.6
257.04401	3.7
259.09579	3.5
268.03607	4.1
269.04263	1.4
271.06143	1.4
272.06686	1.1
282.05157	2.0
283.05969	10.9
284.03235	0.4
284.06302	0.8
285.03912	1.5
287.06158	0.4
287.09061	2.0
299.05447	6.2
300.06210	14.2
301.06534	0.9
315.08557	100.0
316.08893	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	315.0858
Annotation	5,7-Dihydroxy-3',4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
55.01871	1.6
55.05490	1.6
57.03422	1.5
59.16822	0.8
67.05476	1.6
68.99788	1.9
69.07054	1.6
79.05490	3.0
81.07045	3.0
91.05476	3.5
93.07015	2.1
94.04192	2.1
94.69212	0.9
95.04957	1.9
95.08592	2.1
97.02876	1.0
97.06540	4.1
98.21569	1.5
103.05428	1.9
105.03356	1.7
105.07024	2.0
107.04939	1.5
107.08578	1.3
109.02824	1.9
109.06506	3.9
109.10176	0.9
111.04395	0.9
119.04978	0.9
121.02844	0.9
121.06495	2.8
121.10146	0.9
122.03624	8.0
123.04411	15.5
129.07013	1.1
131.08546	1.1
133.02815	5.1
133.10167	1.1
135.04419	1.7
137.02324	3.4
137.05951	100.0
138.06316	2.5
141.06998	1.2
145.10164	0.9
147.04410	1.1
148.05170	30.7
149.02336	5.1
149.05885	3.0
151.03893	3.1
153.01759	5.1
153.07039	1.0
155.04907	1.1
157.06454	1.4
159.08043	0.9
160.05154	1.6
161.05940	2.1
164.04649	4.8
165.05533	1.0
165.07024	2.5
167.08575	1.8
169.06470	1.3
170.02147	3.3
171.04388	2.8
171.08080	1.3
178.02585	1.8
179.03470	1.1
179.07028	6.0
179.08435	1.1
184.05208	2.7
185.06036	1.6
187.03979	1.4
188.04654	1.7
193.08562	2.8
195.08031	1.6
197.05899	1.4
199.07347	2.1
200.04718	1.4
203.03391	1.7
209.05794	1.0
211.03900	1.2
211.07506	1.6
212.04671	3.5
213.05443	2.4
213.09114	1.1
215.03407	1.2
215.06889	1.4
215.10678	1.0
216.04163	12.2
217.04839	3.3
223.07516	3.5
225.08946	1.5
226.06267	1.2
227.03319	5.5
227.06903	4.3
228.04042	2.1
229.04944	3.3
231.02922	1.3
231.06538	3.4
240.04138	2.3
241.04916	2.3
241.08720	1.4
243.06505	2.7
244.03607	8.0
245.04303	1.3
251.06989	1.3
253.04877	4.3
254.05705	1.1
255.02875	15.3
255.06509	13.3
255.11133	2.7
257.04398	3.9
259.06122	3.8
259.09619	53.6
260.09979	2.6
268.03769	2.8
269.04428	2.1
269.08044	5.6
271.05978	5.2
272.03110	2.0
272.06680	3.3
281.04404	2.1
282.05188	3.1
283.02393	3.5
283.05994	6.7
283.09561	3.0
284.03094	2.4
284.06290	1.3
285.03894	4.3
286.08243	3.9
287.05481	11.1
287.09113	23.6
288.05722	1.1
288.09451	1.2
297.07404	1.7
297.12134	1.9
299.05511	7.9
300.02661	7.0
300.06256	11.1
315.04944	43.4
315.08594	94.0
315.12967	12.4
315.19281	1.9
316.05545	7.2
316.09006	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	315.0857
Annotation	Coeloginin
Peak:m/z	Relative Intensity
55.01865	0.2
57.03421	0.4
68.99757	0.3
70.96812	0.6
70.97182	0.2
72.00961	0.2
82.00554	0.6
91.05423	0.4
92.57809	0.2
93.03400	0.2
95.04951	0.3
105.03360	0.3
107.01305	0.3
107.04882	0.4
108.02072	0.2
114.33546	0.2
115.05389	0.3
119.04936	0.2
121.02857	0.2
122.03646	0.4
123.04404	0.6
124.01546	0.2
129.07004	0.3
131.04938	0.4
133.02812	0.4
135.04373	0.4
137.02290	1.2
137.05931	0.7
143.04852	0.2
144.61687	0.3
145.02826	0.6
145.06485	0.2
146.03555	0.2
147.04370	0.4
148.05173	4.3
149.02341	0.4
150.03014	0.2
152.01007	0.5
152.06172	0.5
153.01814	4.2
155.04880	0.3
160.05171	0.7
161.02304	0.4
161.05914	0.3
163.03920	0.3
163.07545	0.5
165.01834	0.3
168.05595	0.3
169.06441	0.8
170.02107	3.4
170.03488	0.2
171.04419	0.6
178.02582	5.6
179.03273	0.6
181.06526	0.3
182.07159	0.2
183.02870	2.2
183.04337	0.3
184.05229	0.3
185.05968	0.6
187.03949	0.4
188.04660	1.1
189.05481	0.4
197.05948	1.6
198.06731	0.7
199.03864	0.4
200.04738	0.5
201.05278	0.6
202.02644	0.3
203.03343	1.5
203.06953	0.4
205.04955	0.4
211.03877	0.8
212.04663	0.3
213.05437	1.5
214.05676	0.2
215.06963	2.0
216.04143	5.2
216.07283	0.2
217.04961	1.2
225.05414	1.1
226.06209	1.8
227.03394	2.3
227.06984	0.6
228.04135	0.7
228.07671	0.3
229.04942	1.4
230.05595	0.5
231.02866	0.6
231.06474	2.2
237.05423	0.5
240.04178	0.5
241.04971	1.3
241.08553	0.4
242.05620	0.5
243.02747	0.3
243.06517	2.0
244.03629	3.3
244.07343	0.4
245.04146	0.2
253.04910	14.1
254.05676	7.2
255.02866	8.2
255.06313	0.9
256.03259	0.7
256.07248	0.7
257.04456	1.2
258.05188	0.2
259.06006	2.2
259.09616	3.0
268.03653	0.6
269.04364	2.0
270.05215	0.9
271.02966	0.4
271.05975	13.2
272.03110	1.1
272.06430	1.1
281.04404	8.7
282.05176	11.0
283.02362	1.1
283.05923	3.1
284.03091	0.7
284.06558	0.6
285.03958	3.1
286.04379	0.3
287.05499	4.3
288.05539	0.2
297.03897	0.2
297.07376	0.3
299.05450	27.6
300.02576	3.1
300.06140	6.1
315.04962	19.4
315.08563	100.0
316.05249	1.7
316.08929	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	315.0493
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.03947	0.5
55.01852	2.5
55.05494	0.5
57.03412	0.8
68.35139	0.5
68.99785	1.3
69.07050	0.6
70.06542	0.7
70.49799	0.4
71.58205	0.8
79.05470	1.3
81.03399	0.5
81.06996	0.9
85.02900	0.8
86.09687	0.5
91.05464	3.0
92.71716	0.4
93.07055	0.5
95.04967	1.1
97.02884	0.9
97.06521	1.4
103.05464	1.1
105.03358	0.7
105.07047	0.8
106.06483	0.5
106.36816	0.4
107.01312	0.7
107.04966	1.1
107.07298	0.5
107.08545	0.5
108.08054	0.8
109.02881	0.5
115.05448	1.8
116.04982	1.7
117.05724	0.6
118.06508	0.7
120.07999	0.5
121.02842	0.6
123.04356	1.1
123.08020	0.6
125.06032	0.4
125.12133	0.5
127.05418	0.5
129.03310	0.7
130.23822	0.4
131.04904	1.2
132.05675	0.7
134.05986	0.5
134.29399	0.5
135.04399	2.0
135.08049	0.6
137.02325	3.3
137.05956	1.4
139.05272	0.7
140.07030	0.8
141.06961	0.7
143.04883	0.7
144.05591	0.5
145.06467	0.9
146.05946	0.6
147.04416	1.4
147.06828	0.5
148.07579	1.3
149.02257	0.5
151.03932	0.5
153.01773	3.4
153.06897	0.7
155.04851	1.1
157.02844	1.9
160.05185	5.2
161.02332	0.6
161.05949	1.5
163.03873	1.6
164.07004	2.6
165.01816	7.5
165.07054	0.7
167.08620	0.6
169.06512	0.9
170.02057	1.2
170.03535	0.7
171.04387	3.7
171.34996	0.6
174.03036	0.9
175.03920	1.4
175.07573	0.7
177.05463	0.7
177.06966	0.7
179.03407	0.6
179.08568	0.6
181.01335	2.4
183.02873	2.0
183.04385	1.4
184.04996	0.5
185.05998	2.2
187.03885	2.8
188.04688	6.5
189.05467	0.9
193.06422	0.7
195.02896	0.7
195.08022	1.1
197.05923	0.9
199.03827	3.1
199.08653	2.1
200.04692	3.6
202.02586	2.0
203.03368	3.9
203.07001	2.4
210.11440	1.1
211.03874	6.4
211.07333	0.6
213.05463	2.1
215.03371	1.3
215.07140	0.6
216.04153	25.5
217.04814	1.9
219.02733	0.6
222.06839	0.5
223.02342	1.3
223.07545	0.8
225.10429	0.6
225.13884	1.1
227.03349	17.3
227.08246	1.0
228.04018	3.1
228.07623	0.5
229.04915	2.3
231.03021	1.0
231.06487	10.2
241.04874	2.8
241.08672	1.8
241.13127	0.5
243.02850	2.8
243.06635	2.2
244.03645	27.7
245.04121	0.9
251.07176	1.0
253.13388	3.8
255.02843	58.9
255.11308	3.9
256.03363	3.3
257.04428	1.4
259.05978	22.3
260.06238	0.9
265.08530	1.1
269.04868	0.6
269.08054	2.6
269.12790	1.6
271.02402	4.7
271.09604	0.5
271.14456	1.9
272.03134	5.7
273.03577	0.8
279.11169	2.2
283.02313	25.1
283.09262	0.8
284.03110	18.0
285.03748	2.5
287.05463	46.7
288.05801	1.6
297.04013	1.1
297.07571	1.5
297.12332	5.4
300.02600	24.4
301.03171	1.9
315.04962	100.0
315.08389	5.3
315.13150	18.8
316.05298	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0499
Annotation	Tenuifone
Peak:m/z	Relative Intensity
53.03926	1.1
55.01854	3.4
60.91050	0.7
65.03906	0.9
67.05480	0.8
68.50686	0.8
68.99782	5.7
69.07050	1.0
70.92323	2.8
79.05466	3.9
80.92016	0.8
81.03374	1.4
81.07041	1.7
86.09707	0.8
87.04389	0.8
91.05462	2.0
92.47671	0.8
95.04929	3.0
97.06508	3.1
103.05477	1.0
105.03352	1.6
105.07004	1.9
107.04927	2.3
109.02930	0.9
109.06449	1.7
115.05460	2.6
117.07005	1.8
119.04841	1.0
121.02846	1.2
123.04395	3.0
124.73553	1.0
127.64227	0.9
129.06987	1.1
131.04863	2.3
131.08501	1.0
132.05710	1.1
135.04399	12.1
136.04701	1.1
137.02325	2.8
137.05981	7.2
142.04088	0.9
144.05669	1.2
145.02779	1.0
145.06439	2.3
147.04428	1.6
148.05193	4.6
149.02293	6.8
149.06001	1.3
153.01816	17.0
157.06497	1.3
159.04385	1.7
160.05202	9.8
161.02243	1.1
161.05916	2.4
163.03873	6.1
163.07463	1.3
164.04649	3.9
165.05455	3.6
167.08412	0.9
170.02043	3.9
171.04402	3.5
172.05193	3.1
175.03897	2.0
175.07416	0.9
177.05403	1.3
178.02579	2.0
179.06978	3.7
180.05522	0.9
183.02771	1.2
187.03874	4.2
188.04692	4.8
189.05339	1.7
191.03369	0.9
197.05907	1.5
199.03838	0.9
200.04665	3.6
201.05246	1.4
202.02576	3.5
203.03391	12.8
203.07069	1.3
204.03708	1.9
205.04927	1.9
209.05969	1.0
211.03925	1.9
212.04550	1.7
213.05380	2.6
215.03380	3.6
215.06946	1.1
216.04147	41.1
217.04865	5.7
223.02362	1.0
223.07478	1.6
225.08971	1.3
227.03355	24.5
227.06866	1.4
228.03983	4.6
229.04932	10.8
230.05289	0.9
231.02965	4.4
231.06499	11.6
239.03523	1.4
240.03682	4.2
241.04964	2.0
243.02841	1.5
243.06532	5.6
244.03651	31.2
244.06282	1.3
245.04324	4.0
253.04865	4.8
254.05624	3.4
255.02875	39.8
256.03381	2.1
257.04398	10.5
259.05984	39.4
260.06339	1.6
268.03552	2.5
269.04352	6.4
269.08051	2.3
271.02829	1.3
271.05981	5.8
271.08600	0.9
272.03015	3.3
272.06253	2.3
273.03888	5.4
281.04492	2.8
282.05194	3.4
283.02292	9.1
283.05789	3.0
283.09537	3.0
284.03098	23.3
284.06253	1.8
285.03860	18.1
287.05417	86.9
288.05783	3.8
299.05447	12.6
300.02570	10.2
300.06049	15.8
301.03360	8.1
303.46243	1.0
315.04904	100.0
315.08548	74.1
315.12549	5.3
316.05582	12.6
316.08871	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	315.0493
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.00310	0.2
55.01836	0.5
57.03429	2.6
58.01110	0.2
61.97606	0.2
67.05453	0.2
68.99772	1.0
69.83177	0.2
71.60176	0.2
77.03885	0.2
79.01851	0.3
79.05497	0.8
81.03386	0.3
85.02872	0.5
91.05447	0.4
92.02589	0.2
95.04927	0.6
97.02825	0.3
97.06480	0.2
97.10099	0.2
103.05450	0.4
104.12885	0.2
105.03372	0.9
107.01271	0.6
107.04958	1.2
108.02046	0.2
115.05424	1.0
117.74764	0.2
118.96635	0.2
119.04949	0.2
121.02821	0.2
123.04471	0.2
124.05216	0.3
125.02303	0.3
127.05428	0.5
128.06184	0.3
129.03323	0.5
129.06993	0.4
131.04904	0.2
132.05664	0.2
133.02777	0.2
133.06496	0.2
135.04405	1.4
137.02304	1.8
137.05939	0.4
139.05426	0.3
141.06927	0.3
143.04922	0.3
145.06424	0.4
147.04372	0.7
148.05148	0.4
149.02298	0.5
150.03084	0.7
153.01801	3.1
155.04861	0.9
157.02856	1.4
157.06387	0.5
159.04375	0.2
160.05180	3.2
161.02328	0.7
161.05930	0.9
162.03085	0.2
163.03874	0.8
164.04645	0.5
167.04845	0.2
169.06531	0.4
170.02066	1.0
170.03595	0.4
171.04422	2.0
173.05939	0.7
174.03166	0.4
175.03894	0.8
176.04555	0.3
178.02583	0.3
179.03349	0.5
179.08421	0.2
183.04391	0.6
185.02319	0.2
185.05927	1.3
187.03877	1.6
188.02982	0.3
188.04659	5.5
189.05373	1.1
191.03250	0.2
191.07079	0.3
192.04082	0.4
195.04497	0.2
197.05957	0.4
199.03856	1.6
200.04642	3.0
201.05446	0.4
202.02551	1.2
203.03355	8.2
203.06946	1.4
205.04930	1.8
211.03854	4.1
212.04631	0.2
213.05449	1.7
215.03384	1.1
216.04141	30.0
217.04857	3.1
219.02983	0.2
223.02191	0.4
223.07523	0.5
225.09019	0.3
227.03355	12.4
228.04086	2.7
229.04921	0.8
231.03030	2.0
231.06480	8.8
239.03363	0.2
241.04904	3.3
243.02859	1.8
243.06529	3.1
244.03632	18.7
245.04071	1.0
247.22296	0.2
251.07034	0.4
253.04892	0.2
254.02144	0.3
255.02843	41.4
256.03372	2.5
257.04471	0.6
259.05981	9.0
260.06113	0.4
269.04498	1.5
269.07751	1.0
271.02332	2.2
271.05554	0.3
272.00146	0.2
272.03101	5.2
273.03772	0.3
283.02332	5.2
284.03125	3.3
285.03949	0.5
287.05453	20.6
288.05865	0.8
297.03894	1.0
299.05411	0.4
300.02618	13.9
300.05688	0.5
301.03082	0.5
315.04938	100.0
316.05325	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	315.0489
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.00287	0.2
53.03915	0.2
54.61706	0.1
55.01855	0.6
57.03429	1.7
65.03922	0.2
68.99774	1.1
69.03398	0.1
79.01827	0.4
79.05479	0.4
81.03388	0.2
82.00542	0.1
83.20226	0.1
85.02888	0.5
89.03886	0.2
90.04661	0.1
91.05441	0.3
92.02593	0.2
93.83031	0.1
95.01305	0.1
95.04961	0.4
97.02876	0.4
97.06504	0.1
98.21472	0.2
101.46156	0.1
103.05447	0.2
105.03365	0.9
105.04482	0.1
105.07011	0.1
107.01294	0.8
107.04923	0.8
108.02095	0.2
109.02836	0.1
115.05430	1.1
117.06963	0.2
118.04111	0.2
119.01317	0.1
119.04878	0.3
120.02045	0.1
121.02804	0.3
123.04404	0.2
125.02348	0.4
126.90539	0.1
127.05422	0.2
128.06186	0.2
129.03325	0.3
129.06961	0.3
131.01207	0.1
131.04869	0.3
132.05672	0.2
133.02824	0.2
133.06453	0.3
134.03635	0.2
135.04385	1.4
136.01430	0.1
137.02324	1.8
137.03798	0.1
139.03793	0.1
139.05376	0.4
141.06946	0.3
142.04137	0.2
143.04900	0.6
144.05667	0.2
145.02902	0.1
145.06425	0.4
146.03574	0.3
147.04402	0.7
147.67851	0.1
148.01509	0.1
148.05161	0.2
149.02296	0.4
150.03078	0.5
151.03816	0.2
153.01805	3.6
154.02647	0.1
154.03973	0.1
155.04861	0.8
155.06038	0.2
157.02814	1.1
157.06465	0.5
159.04359	0.2
160.05176	3.0
161.02325	1.2
161.04958	0.1
161.05975	1.1
162.03157	0.2
163.03871	1.0
164.04588	0.2
165.01749	0.1
167.04825	0.1
167.08481	0.1
169.06458	0.4
170.02043	1.0
170.03593	0.3
171.04370	2.2
172.05090	0.2
173.05940	0.5
174.03090	0.7
175.02356	0.1
175.03845	0.9
175.07472	0.2
176.04619	0.3
177.05406	0.1
178.02629	0.4
179.03452	0.4
181.02869	0.1
183.04391	0.6
185.02376	0.1
185.05956	1.5
187.02248	0.1
187.03848	1.3
187.07455	0.1
188.04659	4.3
189.01770	0.1
189.05408	1.2
191.03333	0.3
191.06969	0.2
192.04173	0.3
195.02774	0.2
195.04305	0.2
195.08084	0.1
197.05937	0.5
198.03067	0.2
199.03862	1.6
199.08638	0.1
200.04652	3.1
201.05392	0.6
202.02589	1.0
203.03365	7.1
203.06958	1.4
204.03722	0.2
205.04889	1.0
209.02461	0.1
209.04433	0.2
210.02916	0.2
211.03865	3.6
212.04649	0.1
213.05429	1.6
215.03351	1.0
215.06985	0.1
216.04141	23.5
217.04886	3.9
218.05287	0.1
219.02771	0.2
223.02185	0.5
223.07501	0.2
225.05466	0.1
226.02623	0.2
227.03349	10.9
228.04085	2.6
229.04897	1.0
231.02971	2.6
231.06471	8.4
232.03493	0.2
232.06836	0.2
240.04053	0.1
241.04907	3.4
241.08537	0.1
242.05301	0.1
243.00752	0.1
243.02856	1.7
243.06490	2.7
244.03636	15.6
245.04269	1.2
248.03185	0.3
251.03510	0.1
251.06783	0.1
254.02061	0.3
255.02843	35.4
255.11258	0.5
256.03433	1.9
257.04355	0.5
259.05984	8.5
260.06354	0.2
269.04434	2.0
269.07877	0.2
270.99484	0.1
271.02335	1.8
271.05887	0.5
272.03122	4.2
273.03778	0.3
279.06476	0.1
282.01407	0.2
283.02374	4.7
284.03079	2.4
285.03836	0.6
287.05450	19.4
288.05759	0.7
297.03973	1.2
297.07373	0.2
298.04492	0.1
299.05264	0.2
300.02643	12.0
301.03030	0.7
315.04935	100.0
316.05264	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.049
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.00290	0.2
55.01845	0.5
57.03430	1.9
68.99778	1.0
69.07006	0.2
69.70187	1.0
70.09835	0.2
77.90904	0.2
79.01817	0.3
79.05444	0.5
85.02861	0.5
89.03883	0.4
91.05476	0.4
92.02592	0.2
95.04926	0.4
97.02851	0.4
97.06485	0.6
103.05437	0.2
105.03333	0.7
105.07009	0.2
107.01270	0.7
107.04946	1.0
108.02084	0.2
115.05458	1.0
117.06992	0.1
118.04144	0.2
120.02016	0.2
121.02796	0.2
124.05062	0.2
125.02330	0.5
127.05366	0.3
129.03317	0.4
129.06978	0.3
131.04860	0.3
132.05675	0.3
133.02846	0.2
133.06418	0.4
134.03627	0.3
135.04404	1.2
137.02325	1.4
137.05936	0.3
139.05368	0.5
139.88542	0.2
141.06943	0.2
143.04878	0.5
145.06396	0.3
147.04364	0.7
148.05144	0.5
149.02280	0.7
150.03090	0.3
153.01811	3.9
155.04938	1.0
155.05963	0.2
157.02827	1.2
157.06444	0.4
160.05176	2.5
161.02354	1.0
161.05981	1.0
162.03139	0.2
162.05418	0.4
163.03873	1.1
164.04617	0.6
165.01871	0.2
169.06453	0.4
170.02028	0.8
170.03487	0.3
171.04382	2.3
173.05887	0.3
174.03036	0.4
175.03902	0.8
176.04617	0.2
177.01736	0.2
178.02560	0.3
179.03346	0.4
183.04387	0.7
185.05956	1.6
187.03851	1.5
188.04672	4.3
189.01743	0.2
189.05428	1.2
191.03357	0.4
191.06943	0.4
192.04248	0.3
197.05923	0.4
199.03874	1.5
200.04678	2.6
201.05412	0.5
202.02579	0.9
203.03358	7.1
203.06941	1.5
204.03891	0.2
205.04898	1.3
208.05148	0.5
211.03865	3.2
213.05414	1.5
215.03381	0.9
216.04144	24.2
217.04877	3.0
219.02876	0.2
223.02321	0.3
223.07512	0.2
225.05511	0.2
227.03352	10.3
228.04124	2.4
229.04916	1.1
231.02989	2.5
231.06477	7.9
232.06827	0.2
239.03334	0.2
241.04915	2.9
242.05626	0.2
243.02847	1.8
243.06496	2.8
244.03635	15.6
245.04202	0.8
254.01930	0.2
255.02843	34.9
256.03320	2.0
257.04257	0.3
259.05984	8.4
269.04407	1.7
269.08011	0.5
271.02307	1.7
271.05923	0.6
272.03149	3.6
273.03656	0.4
283.02335	4.7
284.03128	2.6
285.03943	0.6
287.05457	19.2
288.05795	0.5
297.03876	1.3
297.07098	0.3
299.05408	0.4
300.02609	12.1
301.03055	0.6
315.04941	100.0
315.08173	3.5
316.05267	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	315.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03926	0.2
55.01852	0.4
57.03433	1.9
64.66911	0.1
65.13236	0.1
68.99783	1.1
69.33440	0.1
69.92017	0.3
69.92418	0.5
75.02353	0.2
77.03903	0.2
79.01833	0.4
79.05464	0.4
81.03384	0.2
85.02906	0.7
89.03886	0.2
89.04793	0.1
91.05452	0.4
92.02593	0.3
95.04949	0.3
97.02882	0.3
103.01791	0.1
103.05450	0.4
105.03387	1.1
105.07062	0.1
107.01286	0.8
107.04933	1.2
108.02077	0.3
110.03593	0.2
115.04739	0.1
115.05470	1.1
116.06232	0.2
117.06956	0.2
118.04214	0.2
119.04926	0.3
121.02872	0.2
123.04446	0.3
125.02318	0.3
126.04692	0.3
127.05440	0.2
128.06313	0.2
129.03342	0.3
129.07030	0.3
131.04918	0.5
133.02887	0.2
133.06482	0.3
134.03619	0.3
135.04396	1.6
137.02322	1.8
137.03842	0.2
139.05373	0.5
141.06952	0.5
143.04955	0.7
143.12917	0.2
144.05658	0.2
145.06508	0.4
146.03543	0.4
147.04376	0.8
149.02286	0.4
150.03076	0.8
150.53802	0.1
152.01028	0.2
153.01808	4.3
155.04880	0.9
155.06055	0.2
157.02852	1.3
157.06464	0.5
159.04373	0.3
160.05186	2.8
161.02338	1.5
161.05933	1.2
163.03874	1.2
164.04663	0.2
165.01819	0.2
167.04868	0.2
169.06436	0.6
170.02069	0.9
170.03624	0.3
171.04401	2.2
172.05145	0.3
173.05972	0.3
174.03088	0.6
175.03900	0.6
175.07532	0.3
176.04626	0.3
178.02557	0.3
179.03383	0.4
183.04425	0.6
185.02319	0.2
185.05974	2.0
187.03871	1.7
188.02959	0.3
188.04669	5.1
189.01830	0.3
189.05423	1.4
191.03325	0.3
191.06985	0.2
192.04077	0.2
195.04417	0.2
197.05936	0.4
198.03148	0.2
199.03870	2.0
200.04652	3.0
201.05386	0.5
202.02640	1.1
203.03375	7.5
203.06941	1.3
205.04893	1.3
210.03114	0.1
211.01920	0.3
211.03870	4.1
213.05417	1.7
215.03355	1.2
216.04152	26.1
217.04904	5.1
223.02351	0.5
225.05418	0.2
226.02673	0.3
227.03366	11.6
228.04114	2.7
229.04924	1.2
231.02986	2.8
231.06488	9.2
232.06776	0.1
239.03302	0.3
240.04053	0.2
241.02579	0.3
241.04926	3.7
243.02892	1.9
243.06543	2.9
244.03644	17.0
245.04317	1.0
248.03058	0.2
254.02055	0.4
255.02856	38.9
256.03409	2.3
257.04376	0.5
259.05988	9.5
260.06268	0.2
269.04443	2.3
271.02335	2.0
271.05957	0.6
272.03143	4.1
273.03711	0.4
283.02362	5.7
284.03101	3.3
285.03809	0.5
287.05466	21.6
288.05847	0.6
297.03888	1.5
300.02612	12.9
301.03006	0.6
315.04941	100.0
316.05286	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	315.0476
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.00290	0.2
53.03939	0.2
55.01847	0.4
57.03431	1.7
65.03911	0.2
66.70577	0.1
68.99780	1.0
69.92256	0.6
77.03865	0.1
79.01831	0.5
79.05451	0.4
84.64150	0.1
85.02912	0.5
90.04665	0.2
91.05434	0.4
92.02591	0.4
95.04945	0.4
97.02856	0.2
102.49078	0.1
103.05422	0.3
104.06213	0.1
105.03360	0.9
105.06997	0.2
107.01286	0.7
107.04926	0.8
108.02042	0.3
115.05428	1.3
118.04135	0.3
119.04884	0.3
120.02021	0.2
121.02836	0.2
121.06447	0.1
123.04394	0.2
125.02302	0.5
126.04578	0.2
127.05412	0.3
129.03293	0.3
129.06946	0.5
131.01242	0.2
131.04910	0.4
132.05626	0.3
133.02858	0.2
133.06427	0.3
134.03609	0.3
135.04395	1.5
136.01515	0.1
137.02325	2.1
139.05363	0.4
141.06941	0.3
142.04150	0.2
143.04883	0.6
144.05638	0.2
145.02795	0.2
145.06462	0.4
146.03566	0.3
147.04349	0.8
147.07967	0.1
149.02263	0.5
150.03075	0.5
151.03812	0.2
153.01807	3.9
155.04877	1.0
155.05966	0.2
157.02802	1.3
157.06474	0.6
159.04358	0.3
160.03860	0.2
160.05176	3.2
160.72057	0.1
161.02351	1.4
161.05925	1.2
162.03076	0.1
162.05412	0.2
163.03906	1.1
164.04572	0.2
165.01781	0.1
167.04855	0.2
168.05646	0.1
169.06509	0.6
170.02046	0.8
170.03589	0.4
171.04385	2.4
173.05901	0.5
174.03082	0.4
175.03888	0.8
175.07504	0.3
176.04660	0.3
178.02512	0.3
179.03329	0.4
183.04401	0.7
184.05125	0.2
185.02364	0.2
185.05956	2.0
187.03844	1.6
187.07535	0.2
188.04665	4.9
189.01767	0.3
189.05428	1.3
191.03421	0.3
191.07008	0.2
192.04120	0.5
195.04352	0.1
197.05919	0.7
198.03056	0.2
199.03873	2.1
200.04646	3.3
201.05374	0.7
202.02580	0.7
203.03362	7.9
203.06941	1.5
204.03864	0.3
205.04932	1.3
209.04413	0.3
211.03853	3.8
212.04655	0.3
213.03600	0.2
213.05423	2.0
215.03352	1.1
216.04144	26.4
217.04883	4.4
219.02681	0.1
220.03677	0.1
223.02245	0.5
225.05415	0.4
226.02580	0.3
226.06218	0.4
227.03357	12.3
228.04092	2.6
229.04907	1.0
230.01913	0.1
231.02975	2.7
231.06479	9.5
232.06805	0.3
234.77620	0.1
239.03250	0.3
240.04128	0.2
241.02603	0.2
241.04927	3.4
242.05234	0.2
243.02829	2.1
243.06491	3.0
244.03633	17.7
245.04211	1.3
248.03113	0.3
253.04942	0.1
254.02075	0.3
254.05705	0.2
255.02841	38.0
256.03317	2.0
257.04309	0.5
258.05191	0.1
259.05978	9.2
260.06287	0.3
269.04398	2.2
271.02322	2.0
271.05890	0.7
272.03116	4.3
272.05869	0.2
273.03659	0.5
282.01538	0.3
282.05151	0.2
283.02341	5.7
283.05331	0.2
284.03073	2.7
285.03851	0.8
287.05444	20.7
288.05814	0.9
297.03928	1.3
298.04257	0.1
299.05270	0.2
300.02603	12.7
301.03061	0.6
315.04932	100.0
315.08203	3.8
316.05289	4.2
316.08948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35494	0.4
57.03357	1.0
58.90144	0.5
70.53568	1.8
101.96158	0.4
107.04921	2.1
116.02616	0.4
121.02807	0.8
126.58747	0.4
131.04645	0.6
134.03580	0.8
135.04387	2.2
136.92902	0.4
137.02289	4.3
137.05957	1.0
139.05365	0.7
141.06911	0.5
144.05540	0.6
147.04292	0.6
155.04851	0.8
161.02301	0.7
162.03064	0.9
163.03857	2.3
167.03380	0.5
171.04300	0.6
172.05081	0.9
173.05853	0.6
177.05339	0.7
178.06218	3.7
181.06454	0.6
184.05067	1.6
187.03830	3.2
187.07410	1.8
189.05371	0.9
195.04381	2.9
197.05855	1.6
200.04637	15.7
201.05273	1.5
211.03848	5.9
212.04593	2.5
213.05353	1.0
215.03310	1.6
215.06906	0.9
225.05472	3.2
226.05763	0.8
227.03366	1.0
227.06969	3.3
228.04105	11.8
229.04794	1.6
237.05818	0.4
239.03348	37.0
240.03819	2.1
241.04575	0.6
243.06479	12.3
253.04886	5.9
254.05219	0.6
255.02818	1.7
255.06326	1.1
256.03491	3.1
257.08121	0.5
258.08380	0.5
265.04828	0.8
267.02826	5.6
267.06354	0.8
268.03427	3.7
268.07224	0.6
270.04733	0.5
271.05963	21.4
272.06177	0.7
281.04431	2.2
282.04721	0.6
283.05701	2.7
284.03149	11.0
284.06219	1.5
284.39682	0.6
285.03720	1.1
285.07388	0.8
286.07855	2.3
295.05908	0.9
296.06726	2.3
297.07437	2.2
299.05438	100.0
300.05811	3.5
313.06851	1.0
314.07748	61.2
314.10562	2.4
315.04947	1.7
315.08380	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.0
55.05499	8.6
57.03163	1.5
57.03429	20.5
57.07069	70.2
58.07404	1.2
66.51517	0.7
67.05495	14.5
69.07057	11.4
70.88906	1.8
71.08621	44.0
75.04454	0.9
79.05479	2.1
81.06610	1.2
81.07047	16.3
83.08604	13.6
85.06493	1.1
85.10169	20.9
89.06009	4.1
93.07011	1.4
95.08592	27.2
97.10153	7.4
99.11716	2.3
103.07565	3.1
105.58577	0.8
107.08556	1.3
109.10145	11.1
111.11700	1.8
113.13230	1.0
117.09169	0.9
120.60194	0.9
123.11725	4.4
132.29448	0.7
137.13214	1.4
140.09445	0.7
151.14696	0.9
162.33835	0.8
239.23671	5.8
257.24753	7.2
287.34760	0.8
313.27322	100.0
314.27744	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1066
Annotation	67858-30-4
Peak:m/z	Relative Intensity
51.29539	0.5
57.03440	0.7
63.33651	0.5
68.99792	0.8
70.05974	2.4
76.90056	0.6
91.05461	0.8
97.06564	1.6
98.21457	0.7
105.06991	0.6
107.04938	4.9
121.10165	0.6
135.04428	1.8
147.04410	7.4
148.05080	0.5
151.03831	0.7
151.07559	1.8
153.07007	0.7
160.05244	0.7
167.07063	1.3
171.04478	1.7
175.03914	0.6
179.07095	0.7
181.06461	1.0
184.05232	1.0
185.05957	1.4
187.03943	0.8
191.07008	5.4
198.58891	0.6
199.07565	4.6
209.06003	0.7
210.22282	0.6
212.04718	0.7
213.05453	1.5
217.04871	0.5
223.10373	0.5
225.05392	0.8
227.07016	2.2
237.05447	0.9
239.06969	0.8
240.04141	1.8
243.02856	0.7
253.04907	3.7
254.05702	1.6
255.06517	11.7
267.06506	1.5
269.05322	0.6
269.08093	3.4
270.05322	1.0
272.07291	0.5
281.04507	1.6
281.08044	1.3
282.05225	1.2
283.05972	87.7
284.06314	4.9
285.07422	1.3
297.07507	9.9
298.04654	3.1
298.08292	11.6
299.05447	0.8
299.08624	0.6
313.07169	6.7
313.10629	100.0
314.04138	1.6
314.07574	1.0
314.10910	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	313.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.5
68.05018	0.2
70.06227	0.3
70.06582	5.8
70.79862	0.7
74.59148	0.2
85.02875	0.2
85.06499	0.2
90.44506	0.2
96.08115	11.2
97.02837	0.3
97.06548	0.2
114.09151	8.0
121.02834	0.4
129.61891	0.2
135.04414	0.3
142.08612	100.0
143.08957	2.4
151.03908	0.3
158.45844	0.2
161.05949	0.4
279.36084	0.2
313.07440	0.2
313.17535	7.9
313.27396	0.5
314.17853	0.4
334.15680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05020	0.2
69.03407	0.2
70.06580	6.0
71.10613	0.4
71.10984	0.4
79.05482	0.2
81.91163	0.2
84.22529	0.2
85.02885	0.2
94.06603	0.2
95.04958	0.2
96.08118	10.3
114.09152	7.9
115.09483	0.2
139.63551	0.2
142.08614	100.0
143.08961	2.2
163.03873	0.2
281.51260	0.2
313.17542	8.4
314.17889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	18.5
55.05503	36.4
57.03428	21.7
57.07067	46.0
67.05489	44.1
69.07062	46.1
71.04972	14.7
71.08621	26.5
71.58198	12.2
71.58591	12.5
79.05482	52.8
81.07040	79.3
83.04964	14.1
83.08614	18.4
85.06525	18.4
85.10168	10.2
91.05470	62.6
93.07033	57.8
95.04951	43.3
95.08604	69.2
97.06514	40.1
97.10169	14.6
103.05497	12.8
105.07011	63.3
107.04878	10.4
107.08548	45.0
109.06519	13.8
109.10157	28.8
111.11709	12.3
113.09582	11.1
117.06992	17.9
119.08569	45.8
121.06496	24.5
121.10123	31.1
123.11648	10.1
128.06157	11.6
129.07011	13.2
130.07733	9.4
131.08540	39.9
133.10124	43.0
135.08014	16.3
135.11655	18.1
135.34451	10.0
142.07727	15.8
143.08525	47.9
144.09409	10.0
145.06523	11.0
145.10104	87.5
147.11681	19.2
148.05106	10.0
155.08566	16.5
156.09398	12.1
157.10124	58.1
159.11716	25.2
161.06001	11.0
161.09680	13.2
161.13307	11.2
165.06854	10.1
167.08582	13.1
169.10143	17.1
171.11667	45.3
173.09605	28.2
173.11899	8.8
173.13289	32.7
175.11111	14.1
175.14847	11.9
179.08571	21.8
181.10173	11.8
183.11710	20.0
185.13281	23.2
187.03970	10.3
194.10870	17.1
195.11613	9.7
197.13260	20.3
199.14777	16.9
209.13261	37.8
211.14725	19.7
213.12781	9.4
225.16202	10.0
227.14351	25.2
229.15825	18.5
231.17499	14.9
241.12238	16.2
295.20416	26.2
299.11499	11.3
313.07104	26.1
313.10690	19.8
313.14288	19.1
313.18118	16.4
313.21606	100.0
313.27286	43.4
314.13840	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	312.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
57.03411	6.7
61.02925	12.2
67.64064	1.8
69.03428	16.6
69.07072	8.7
69.77982	5.9
69.78412	5.0
70.94887	2.0
73.02906	4.4
81.03394	6.8
84.08124	2.1
85.02889	100.0
86.03266	1.8
87.08098	17.9
87.08572	3.4
91.03922	5.9
97.02866	24.6
98.21457	4.2
99.04453	4.5
109.02860	7.4
127.03903	24.8
129.58922	1.7
133.08588	4.9
145.03836	3.8
145.04932	43.4
145.06065	2.4
151.03827	1.9
163.05984	10.6
224.10725	3.0
230.44992	1.8
250.10625	2.4
313.03186	2.3
313.06604	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	312.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.15208	0.3
55.05522	2.0
57.03424	1.2
58.29404	0.4
65.03931	1.1
67.04245	4.2
67.05489	1.6
68.04993	0.6
69.03427	5.0
70.06581	0.5
70.48634	1.5
71.04987	0.8
72.08143	0.6
74.67146	0.3
75.04473	1.4
79.05494	4.1
80.05014	1.6
80.89952	0.4
81.03424	0.4
81.07057	3.4
82.06573	100.0
83.06898	1.2
83.07356	1.2
85.50774	0.4
87.04482	0.6
88.03986	2.9
91.05473	5.7
93.07034	28.1
94.07371	0.6
95.04997	2.2
95.08604	1.8
95.63396	0.4
97.02897	1.3
97.06516	0.9
98.06055	0.6
100.07610	21.9
101.07934	0.5
102.15737	0.3
103.05459	0.7
105.07021	3.5
107.04965	0.5
107.08576	2.6
109.06537	0.6
109.10100	0.5
111.08067	2.1
116.06287	0.4
116.30583	0.4
118.06559	0.5
119.08519	0.5
121.06501	1.3
121.10133	20.2
123.04443	2.3
123.08086	0.6
123.11724	1.1
125.05977	0.7
126.05510	8.5
128.07066	68.4
129.07381	1.2
131.08566	2.3
133.06516	0.8
137.05995	1.4
139.11156	1.5
145.06494	0.5
146.06021	0.7
146.08121	4.5
149.05989	1.5
149.09624	3.0
151.03897	1.4
151.11172	0.6
160.87709	0.4
163.07597	0.5
188.07051	0.5
241.04958	0.5
252.69493	0.3
269.04398	0.5
294.16989	10.2
312.18048	29.8
313.06976	1.5
313.10434	0.6
313.15073	0.4
313.18311	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	313.0701
Annotation	5252-40-4
Peak:m/z	Relative Intensity
51.34345	0.1
55.01871	0.2
55.05499	0.2
57.07056	0.2
62.45951	0.1
67.05502	0.4
68.99806	0.2
69.07054	0.3
70.41973	0.6
71.08618	0.2
78.04697	2.1
79.05480	0.2
81.07047	0.6
89.03907	0.4
91.05476	0.2
93.07034	0.2
95.08590	0.4
97.06516	0.2
97.10141	0.2
99.08089	0.2
103.05424	0.2
105.03384	0.7
105.07024	0.2
106.04163	2.6
109.02902	0.2
109.10147	0.2
111.04317	0.1
119.08515	0.2
121.06464	0.2
123.11655	0.2
129.06956	0.3
131.04924	0.2
133.02821	0.8
134.03622	8.7
137.02351	0.5
138.54831	0.2
141.01814	0.6
141.06952	0.2
143.08557	0.1
147.04335	0.3
149.02338	0.3
149.05971	0.2
151.03903	0.6
157.06480	0.3
158.07246	0.3
165.01807	2.5
166.02492	0.2
167.03439	0.2
168.05754	0.2
169.06514	0.2
171.04375	0.3
172.05101	0.3
175.03909	0.2
183.02887	1.4
185.05972	0.7
186.03067	0.2
186.06715	1.1
187.03864	0.2
196.05135	0.2
197.05920	0.7
200.04640	0.3
213.05452	3.3
213.97136	0.1
214.06172	2.6
216.04138	0.2
224.04535	0.2
225.05396	0.8
227.03455	0.3
228.04105	0.4
229.04967	0.2
241.04918	13.2
242.05675	3.8
243.02885	0.5
253.05014	0.9
254.05798	0.2
269.04413	2.4
270.05203	9.1
271.05389	0.3
281.04456	0.5
285.07434	0.4
295.06085	0.4
297.03873	1.9
298.04681	61.8
299.05038	2.1
313.07010	100.0
314.07355	2.5
324.59882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0702
Annotation	Wairol
Peak:m/z	Relative Intensity
65.92439	0.3
66.02567	0.2
67.05477	0.3
67.98993	0.3
69.07047	0.4
70.48651	0.6
70.49042	0.5
81.07045	0.3
91.05450	0.3
95.08589	0.4
97.06509	0.7
107.04932	1.0
114.47879	0.3
127.38647	0.2
137.02310	1.1
151.03880	1.1
161.02328	4.4
162.03098	53.3
163.03477	1.5
168.05632	0.4
179.71368	0.3
184.05167	3.3
185.05853	0.3
187.03915	0.8
189.01816	0.7
189.05443	0.3
195.04370	0.4
196.05174	0.6
197.05957	0.3
199.03944	0.3
200.04720	1.8
201.05612	0.3
211.03886	0.8
212.04659	12.7
213.05309	1.2
215.03438	0.5
223.03908	0.9
224.04646	4.8
225.05319	1.0
227.06932	0.7
228.04144	1.2
239.03381	0.4
240.04149	9.0
241.04767	1.1
251.03214	0.3
252.03963	0.4
253.04921	0.6
254.05647	0.3
255.06480	8.0
256.06937	0.3
257.07980	0.3
267.02798	0.9
268.03604	4.6
269.04355	1.7
270.05093	1.0
274.63382	0.3
281.04407	24.1
282.04828	1.1
283.03207	0.4
283.05994	4.3
285.07599	0.4
294.12076	0.2
297.03937	3.6
298.04672	49.9
299.04962	2.0
313.07010	100.0
314.07358	4.0
316.43158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03932	2.9
55.01862	4.6
55.05508	29.5
57.03420	3.4
57.07069	18.2
65.03920	2.3
67.05146	2.3
67.05495	37.9
69.03421	2.5
69.07057	52.9
70.10669	2.6
70.11057	3.4
71.04986	3.8
71.08615	6.0
73.06562	1.4
79.05481	22.1
81.03365	1.4
81.07045	100.0
81.16779	1.4
83.04971	3.5
83.08608	31.9
85.06521	15.1
85.10166	3.9
87.04492	1.6
91.05441	11.0
93.07038	28.3
95.04993	3.0
95.08595	92.1
97.06519	27.7
97.10150	22.1
98.06868	1.6
99.08086	26.2
105.06984	4.3
107.08582	21.1
109.06499	1.6
109.09418	3.0
109.10140	47.2
110.10458	1.8
111.08066	17.8
111.11694	11.9
113.09652	2.4
115.05475	1.5
119.08571	2.6
121.06513	4.4
121.10133	18.0
123.11700	22.2
125.09570	7.0
125.13269	2.7
131.08607	2.1
133.10100	2.7
135.11694	15.4
137.05952	5.6
137.13228	11.8
139.07538	1.8
139.11157	2.6
140.93472	1.4
145.06511	3.2
146.03214	1.6
147.03323	2.1
147.04396	18.7
147.11629	1.5
149.13258	21.0
151.07529	11.1
151.14806	4.0
153.12733	2.2
155.14311	2.7
157.10101	3.5
163.14870	9.0
165.06953	2.3
165.16383	3.5
167.08553	2.6
167.14291	2.6
169.10059	3.0
169.15823	1.7
172.99536	1.6
173.05962	2.6
177.09033	2.1
177.16299	2.9
179.17834	1.8
181.06482	2.1
181.10100	1.9
183.17468	1.5
187.07555	2.0
191.08510	2.9
195.08003	2.3
197.09647	1.6
200.08385	4.0
205.19530	3.5
215.10654	9.6
219.07997	2.7
219.21185	3.0
225.09074	3.8
233.22507	1.6
249.25763	5.1
251.10721	3.2
259.46313	1.4
267.13980	3.7
268.14108	1.3
275.19958	2.6
275.27274	14.2
276.93768	1.6
279.10150	2.0
293.28406	15.2
311.05670	2.4
311.09036	5.9
311.12723	7.6
311.16373	24.2
311.19733	2.1
311.26099	2.5
311.29410	26.1
312.16669	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	311.294
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03928	3.6
55.01858	4.1
55.05243	1.9
55.05505	32.7
55.18262	1.4
57.03433	1.7
57.07069	21.5
59.04995	1.6
59.72623	1.3
65.03898	2.1
67.05498	39.8
67.50711	1.2
69.03435	2.5
69.07059	70.1
69.43979	12.9
71.04967	4.0
71.08607	7.5
79.05485	22.0
81.07047	100.0
82.07375	2.3
83.08612	35.0
85.06534	22.6
85.10168	3.3
91.05462	10.6
93.07034	27.3
95.04948	3.8
95.08592	98.1
95.27547	1.3
96.08944	1.4
97.06515	23.7
97.10154	22.0
99.08082	29.9
105.07011	5.9
106.02869	1.2
107.08575	22.4
109.10146	52.5
111.08064	16.9
111.11697	16.0
111.12395	2.1
113.09658	2.5
119.08562	3.5
121.06493	2.2
121.10134	15.3
123.08096	1.7
123.11694	26.3
125.09631	4.8
125.13260	5.3
131.08537	2.8
133.10156	2.7
135.11679	15.3
137.05965	5.6
137.13277	12.6
139.07581	1.5
139.11203	2.7
142.07664	1.4
143.08591	2.0
145.06445	1.3
147.04396	20.0
148.18633	1.2
149.13243	24.0
151.07539	8.2
151.14786	4.8
153.12701	2.2
155.14299	4.6
157.10175	2.5
159.08078	1.6
160.29164	1.4
163.14827	10.2
165.16360	5.1
167.14267	4.5
169.10156	2.5
169.15875	3.3
173.05939	1.5
177.09105	2.3
177.16411	2.5
179.17899	2.0
183.17525	1.5
185.05959	1.8
191.08501	2.1
191.17986	3.0
193.19490	3.3
195.08009	3.1
196.08638	1.6
197.09633	1.8
200.08299	4.3
205.19403	3.0
215.10617	7.4
219.07985	1.6
219.21075	3.7
225.09134	2.7
247.07384	1.6
249.25763	5.8
267.13702	2.8
271.30832	1.4
275.27328	17.4
281.28271	1.4
293.28342	16.5
311.09091	5.0
311.12781	5.5
311.16373	19.8
311.19858	2.0
311.26227	1.9
311.29443	30.7
312.16638	2.7
312.29645	2.8
313.02524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2939
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03917	1.8
54.97696	1.7
55.01862	3.3
55.05499	31.2
57.07071	16.9
58.02785	1.7
64.30504	1.6
67.05493	40.9
69.07058	66.7
71.04957	4.0
71.08607	7.4
79.05477	17.4
81.07045	100.0
83.08609	30.4
83.50511	1.7
85.06530	18.1
85.10151	3.7
85.30679	1.8
91.05473	4.7
93.07033	25.3
95.04955	2.0
95.08593	99.7
97.06513	6.8
97.10160	28.8
99.08076	29.3
105.07034	4.2
107.08578	24.2
109.06499	2.3
109.10141	54.3
111.08058	13.0
111.11716	15.1
113.09634	2.9
119.08497	1.8
121.10125	14.8
123.11684	27.4
125.09616	5.3
125.13252	5.0
133.10152	1.6
134.32726	2.0
135.11671	15.0
137.05910	2.6
137.13214	11.4
139.11179	2.7
139.14809	1.7
142.19402	1.6
149.05952	1.7
149.13228	27.9
149.14339	3.0
151.14798	6.5
153.12747	2.4
155.14265	3.9
163.14838	8.7
165.16350	4.9
167.14278	6.5
169.15967	2.1
171.08026	1.8
177.16292	2.5
179.17957	3.9
191.18036	2.6
205.19437	2.6
219.21071	5.3
249.25734	7.3
275.27325	20.2
293.28311	20.0
311.05325	3.0
311.29422	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	311.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.36950	1.8
55.01855	2.5
55.05504	35.9
57.03404	1.6
57.07069	13.9
67.05494	34.3
69.03413	2.0
69.07058	68.1
70.07373	1.8
70.94749	1.6
71.04994	1.9
71.08620	6.5
71.58587	3.5
79.05483	18.6
81.07046	92.5
83.04977	2.2
83.08609	33.1
85.06524	20.3
85.10166	2.2
91.05472	6.1
93.07034	15.9
95.04971	5.7
95.08595	100.0
97.02882	2.8
97.06514	34.9
97.10155	26.3
99.08077	12.3
100.11243	4.2
105.07009	6.6
107.04913	2.2
107.08585	18.5
109.10141	56.9
111.08068	4.2
111.11699	17.2
119.08565	3.4
121.10120	12.1
123.11684	28.2
125.13266	6.9
127.11154	3.6
131.08536	1.7
133.10083	2.0
135.08058	3.1
135.11649	10.1
137.05969	7.8
137.13255	13.4
139.14798	3.0
141.06981	2.1
143.08542	3.5
145.10168	2.9
147.11743	1.8
149.09654	2.5
149.13228	18.1
151.14813	14.0
153.07008	2.8
155.08554	2.5
157.10110	4.8
159.08018	3.3
159.11734	2.8
163.14804	10.3
165.07030	2.2
165.16403	6.6
167.08591	4.1
169.06464	3.4
169.10124	5.1
171.11740	2.1
177.16437	2.2
179.08588	2.2
179.17917	2.9
181.06456	2.2
181.09998	2.0
182.07280	2.0
183.07977	2.1
185.06047	2.5
187.07420	2.8
191.08495	2.0
191.17892	3.6
193.19543	2.5
195.08028	4.0
195.11481	2.9
197.09691	2.2
197.13188	1.7
200.08257	9.1
205.19444	3.6
208.09007	1.8
215.06931	3.5
215.10629	9.0
219.08034	4.3
225.05550	2.9
225.09087	4.5
225.12700	3.1
227.10327	1.8
237.08960	1.9
239.10626	2.8
241.08888	1.8
247.07469	2.8
249.25836	2.4
251.10707	6.5
251.18242	2.0
267.10193	2.6
267.13669	3.9
275.27234	5.2
279.10083	5.2
293.19022	3.3
293.28339	7.9
311.05692	3.6
311.09109	6.2
311.12717	12.5
311.16348	23.0
311.20013	7.8
311.29510	20.0
312.16907	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	311.294
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
53.03931	3.8
55.01859	5.8
55.05509	28.7
57.03436	3.0
57.07068	17.7
65.03924	2.4
66.07099	1.6
67.05495	41.6
69.06703	4.2
69.07061	65.3
71.04982	3.2
71.08627	14.6
71.40533	3.1
73.31790	1.9
76.03557	2.0
79.05481	13.2
80.05840	2.1
81.07048	92.7
83.04965	5.6
83.08123	3.0
83.08609	36.6
85.06541	18.0
85.10142	2.1
91.05471	7.8
93.07041	20.2
95.04937	4.2
95.08599	100.0
96.08971	2.4
97.02849	2.5
97.06528	9.4
97.10160	22.4
99.08061	12.2
105.07014	4.2
107.08569	15.2
109.06567	2.6
109.10150	54.6
111.08069	6.8
111.11696	16.3
113.09618	3.2
119.08560	3.0
121.10135	9.1
123.11689	28.5
125.09627	3.7
125.13251	4.9
127.11192	2.2
131.08566	3.2
135.11679	9.0
137.06018	2.7
137.13266	16.1
139.11208	4.1
149.13242	19.4
151.11198	2.6
151.14789	15.8
159.11621	2.4
163.14799	11.5
165.16391	5.8
171.58640	1.9
173.11769	2.4
177.16296	2.2
179.17931	3.4
191.17894	2.9
193.19391	2.6
200.08345	3.0
215.10631	4.0
219.20908	3.6
249.25806	2.8
275.20053	4.1
275.27405	5.6
279.10242	2.9
293.21051	7.9
293.28180	9.9
296.74863	2.4
311.05374	4.5
311.09113	4.9
311.12756	5.6
311.16357	5.2
311.29431	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	311.2941
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
53.03930	2.5
54.14833	0.8
55.01856	2.7
55.05242	1.8
55.05504	34.5
57.03421	2.9
57.07069	41.7
59.04997	0.9
62.08352	0.8
65.03929	1.8
67.05495	45.2
68.05836	0.8
69.03389	1.4
69.07058	59.9
70.07367	1.0
70.20345	0.8
70.72061	2.8
71.04989	2.5
71.08624	8.1
79.05482	14.9
81.03395	1.4
81.07045	100.0
82.07380	2.1
83.04956	2.2
83.08605	33.7
85.06529	48.9
85.10175	1.7
91.05452	4.5
93.07033	17.3
95.04967	1.6
95.08593	82.2
96.08910	1.4
97.06505	5.1
97.10154	24.2
98.59651	0.9
99.08076	32.5
99.11736	1.2
105.07010	2.9
107.04974	0.9
107.08572	14.2
109.06484	1.3
109.10142	44.4
111.08087	6.2
111.11713	9.6
113.09612	2.6
117.06957	1.2
119.08572	2.7
121.06494	1.2
121.10119	9.6
123.11688	26.3
125.09641	3.2
125.13242	2.9
126.85766	1.0
127.11106	1.3
131.08551	1.6
133.10121	2.4
135.11664	10.5
137.05969	3.4
137.13234	10.4
139.11172	3.0
141.12717	0.8
143.08585	1.2
145.10078	1.5
147.11584	1.4
149.13242	8.9
151.14789	5.1
153.07033	1.0
153.12743	1.9
155.08537	0.9
155.14279	2.0
157.10147	1.8
159.08089	1.3
159.11604	1.6
163.14755	4.5
165.16409	2.9
176.17107	0.9
177.16389	2.7
179.17961	2.1
191.08571	1.0
191.17921	2.2
195.11760	1.1
205.19577	1.6
209.13275	1.2
215.10664	1.7
219.21118	1.6
220.86807	1.0
251.10602	1.9
275.19986	1.8
275.27313	2.5
279.10019	1.0
293.21170	2.4
293.24945	1.8
293.28235	6.4
311.05435	2.0
311.09183	1.2
311.12701	3.4
311.16336	3.9
311.19943	3.1
311.29413	33.7
312.29633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.8
53.03937	2.2
54.16313	0.7
55.01853	2.2
55.05502	57.5
55.38542	0.8
57.03169	1.7
57.03428	24.3
57.07067	27.6
61.18142	0.7
67.05502	8.9
67.96857	0.8
69.07058	64.8
69.58736	6.9
71.08252	1.2
71.08624	18.2
73.02892	1.5
79.05481	5.4
81.07040	11.0
83.04955	1.5
83.08607	52.4
84.08936	0.8
85.10162	7.2
91.05447	1.2
93.07036	5.6
95.08598	8.1
97.06520	5.6
97.10156	40.3
104.16682	0.9
107.08567	5.6
109.10133	3.3
110.64430	0.9
111.08048	3.1
111.11703	11.6
115.85443	0.8
121.10128	7.6
123.11693	1.8
125.09618	2.5
125.13244	2.8
129.05493	0.9
135.11670	5.6
137.13229	0.9
139.11192	1.2
139.14825	0.8
139.27296	0.8
140.82715	0.7
149.13231	2.2
153.12717	1.0
163.14790	1.4
166.07761	0.8
182.16650	1.0
209.11668	1.7
218.24548	0.7
219.20953	1.7
237.11172	1.0
237.22150	0.9
311.25763	100.0
312.26086	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	1.1
55.01855	2.2
55.05507	59.1
57.03175	1.2
57.03434	22.2
57.07071	29.2
67.05207	0.7
67.05503	10.0
69.07060	63.2
69.31753	7.2
71.08624	15.4
73.02894	1.8
79.05483	6.0
81.06612	1.3
81.07045	9.9
83.04951	1.7
83.08614	52.1
85.10174	7.1
91.05482	0.8
93.07039	7.8
95.08601	7.6
97.06541	3.8
97.10161	37.0
98.10535	0.8
101.43679	0.8
102.16644	0.8
104.59011	0.7
107.08587	4.6
109.10134	2.7
111.08054	2.1
111.11716	12.5
113.09635	0.8
115.07586	1.0
121.10144	7.3
123.11714	1.4
125.09594	2.2
125.13242	2.7
129.05412	0.8
135.11664	3.6
137.13275	1.7
137.41232	0.7
139.11179	1.1
147.05020	0.8
149.13232	2.2
167.14191	0.8
173.73759	0.8
211.24825	0.8
219.21069	2.0
311.25778	100.0
312.26138	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00313	1.0
53.03932	1.8
55.01850	1.4
55.05507	61.7
56.05825	1.1
57.03174	1.6
57.03431	24.1
57.07069	31.7
61.76049	0.7
67.05499	9.7
69.07059	71.8
70.75404	0.9
70.75733	2.0
71.08261	1.4
71.08622	17.5
77.83273	0.8
79.05483	5.6
81.07047	11.6
83.04964	1.8
83.08611	58.4
84.08928	1.2
85.10167	7.2
89.65114	0.9
93.07050	8.6
95.08588	9.7
97.06518	7.3
97.10162	43.3
98.10529	0.9
107.08604	5.2
109.10141	3.5
111.08060	2.9
111.11709	11.0
121.10125	8.3
123.11687	2.3
125.09626	3.0
125.13239	3.1
135.11650	5.9
137.13210	1.8
139.11169	2.2
149.13251	3.0
163.14778	1.1
177.16534	0.9
209.11696	2.0
219.21017	1.7
231.37573	0.8
237.11160	0.9
237.22151	1.8
311.25769	100.0
312.26035	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	311.2366
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03947	6.2
53.59065	4.2
55.01876	4.2
55.05505	41.2
57.03429	10.4
57.07059	12.5
67.05500	44.2
69.03431	4.4
69.07064	82.9
70.25595	14.8
71.04948	4.3
71.08614	5.2
79.05480	29.5
81.07050	59.3
83.04951	4.7
83.08622	28.3
87.66919	4.1
91.05471	47.0
93.07036	100.0
95.04955	64.5
95.08594	90.1
97.06512	28.0
97.10175	21.0
105.07023	89.7
107.08590	58.4
109.06506	19.2
109.10136	41.6
117.07015	19.4
117.93392	4.7
119.08569	76.5
121.06477	23.6
121.10137	52.8
123.08060	17.9
123.11689	16.3
128.06261	5.8
129.06941	10.2
131.08542	25.0
133.10115	36.4
135.08031	15.0
135.11649	19.0
137.09648	4.8
137.13200	8.6
142.07767	11.2
143.08533	16.7
144.09361	4.5
145.10103	49.2
147.11658	21.8
149.13232	7.1
155.08574	5.1
157.10144	34.0
159.08115	5.1
159.11678	50.6
161.09653	13.6
161.13266	15.2
163.11281	5.1
169.10149	13.9
171.11659	19.7
173.13210	13.6
175.14810	18.3
177.16373	18.7
183.11691	10.9
185.13264	11.6
187.11169	7.0
189.16359	11.3
193.09943	5.2
197.13234	7.5
199.14827	7.7
201.16370	13.9
203.17877	5.5
209.13316	5.2
211.14810	8.0
213.16414	6.3
215.17978	9.6
218.58821	5.3
223.14954	7.7
237.11198	5.4
237.16125	5.8
255.21115	9.5
256.03305	4.8
262.00769	4.2
267.21133	4.6
293.22479	10.7
298.47995	4.9
311.23026	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	311.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.05499	39.5
57.03423	9.8
57.07066	15.1
57.87572	4.3
58.23847	4.7
62.42600	4.6
67.05492	53.3
69.07060	70.8
69.98825	4.5
71.04974	6.8
79.05483	34.7
81.03387	8.7
81.07039	46.4
83.08601	20.3
91.05464	46.8
93.07030	97.3
95.04959	65.4
95.08022	6.9
95.08593	100.0
97.06503	32.9
97.10150	16.9
98.21510	10.3
105.07012	73.5
105.07656	7.2
107.08572	51.9
109.06480	19.1
109.10147	40.3
111.11708	6.1
115.05464	6.1
115.29939	5.0
117.07012	21.3
119.08567	83.7
121.02555	5.0
121.06508	23.9
121.10126	63.4
123.08090	23.1
123.11675	19.7
130.66872	4.5
131.08533	27.0
133.10141	35.7
135.04410	6.2
135.08032	13.1
135.11671	25.4
137.09592	6.8
137.13234	8.3
142.07750	8.2
143.08574	14.4
145.10110	36.6
147.11646	27.0
149.13297	4.9
155.08536	8.4
156.09308	5.8
157.10095	28.5
159.11659	51.8
161.09618	16.3
161.13208	12.5
169.10068	13.3
171.11711	10.7
173.13260	11.8
175.14790	15.5
177.16316	23.0
181.08557	12.1
183.11632	6.4
185.13216	13.4
187.14742	9.2
189.16362	14.4
195.11668	10.7
197.13123	7.4
199.14789	8.2
201.16389	19.6
203.17992	6.8
209.11681	9.3
211.14705	10.4
215.17961	8.6
219.17474	7.8
223.14801	10.5
229.71486	7.5
237.16129	6.4
255.21091	6.4
293.22784	5.6
311.23264	46.8
332.02359	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03934	3.4
55.01861	20.5
55.05243	4.3
55.05507	79.4
57.03435	7.2
57.07070	5.7
65.03944	3.0
67.05498	46.7
69.03423	10.7
69.07065	30.8
70.07426	3.1
71.04984	9.2
71.06259	1.9
71.08620	22.2
71.59502	3.7
79.05489	36.9
81.03414	23.8
81.07050	62.1
82.07392	2.9
83.04971	23.6
83.08610	50.3
85.06542	5.6
91.05468	26.9
93.07040	34.6
95.04958	42.5
95.08601	23.9
97.02888	2.6
97.06521	13.7
97.10162	40.6
99.08076	26.6
105.07017	16.4
106.07362	2.3
107.04949	10.4
107.08579	33.5
109.06523	11.1
109.10133	20.1
111.04453	14.7
111.08068	17.3
115.05470	3.5
117.07016	7.7
119.08576	15.6
121.06506	4.7
121.10139	14.9
123.08094	6.0
123.11704	5.2
125.05955	2.8
125.09621	31.4
129.06993	6.8
131.08562	11.9
133.06509	3.6
133.10129	12.7
135.08035	5.1
135.11667	13.6
137.05966	6.0
139.11197	6.2
141.07068	2.8
143.08559	7.5
145.10109	18.5
147.11674	12.5
149.09616	13.9
149.13229	4.1
151.11194	3.7
153.09123	6.1
157.10132	8.2
158.07199	2.5
159.11739	7.1
161.13280	4.5
163.11169	59.0
165.12746	5.3
167.10704	5.1
169.10144	4.4
169.12175	2.4
171.11668	2.5
173.13268	3.0
175.11238	3.3
177.05466	3.0
177.12773	6.7
181.12201	5.8
187.11244	3.8
187.14900	2.6
189.11145	13.8
191.10683	3.3
193.12225	15.3
195.13791	18.5
197.09691	2.7
200.08391	3.0
201.16394	2.6
205.12108	3.2
209.11726	3.2
211.13235	12.3
214.09879	3.3
215.10690	4.1
223.11397	2.6
223.13234	13.0
247.20551	7.4
257.18964	7.2
265.21799	3.4
269.08087	2.7
275.20065	33.3
279.10233	4.0
293.21109	100.0
294.21622	3.8
311.05600	3.7
311.09198	4.9
311.12717	8.6
311.16339	4.8
311.19763	6.7
311.22610	6.7
311.27020	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03900	6.8
55.01865	12.2
55.05508	42.4
57.03428	9.3
57.07065	28.7
67.05503	62.0
69.07066	48.5
69.46260	56.7
71.05000	8.7
74.03384	5.8
75.85406	7.9
78.65652	6.3
79.05489	64.1
81.07047	100.0
83.04973	17.5
83.08604	23.7
85.02841	9.6
91.05469	44.5
93.07039	56.8
95.04958	17.1
95.08599	67.4
97.06529	18.2
97.10177	12.0
105.07024	47.5
107.07941	7.7
107.08562	43.3
109.06502	19.5
109.10171	34.7
111.04443	23.0
111.08115	12.6
117.06965	7.8
119.08543	38.5
121.10130	32.3
123.08071	10.1
123.11657	6.2
125.09605	9.6
125.15548	6.8
131.08574	29.3
133.10097	37.3
135.08005	12.1
135.11687	21.7
137.09584	15.0
143.08563	7.6
145.10149	18.0
147.11699	22.3
149.09619	12.1
151.11185	9.7
153.05457	14.4
155.08546	8.3
157.10106	12.2
159.11667	11.0
163.11162	12.4
171.11664	7.1
173.13220	11.1
181.12151	8.8
183.11699	8.0
191.10658	13.6
193.04971	13.5
197.13220	9.8
209.11699	90.3
223.13167	15.0
237.11162	64.6
255.12395	11.6
257.19058	13.1
275.20044	85.9
276.19901	7.7
293.20938	46.0
311.13144	6.4
311.20142	13.4
311.25632	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2209
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01855	3.4
55.05503	9.1
57.07065	8.5
62.19642	1.5
63.42973	1.3
67.05488	10.5
69.07058	6.7
71.08621	11.0
71.60632	1.9
72.35934	1.2
79.05466	7.5
81.07038	10.3
83.04941	2.2
83.08604	5.3
91.05459	5.7
93.07010	5.5
95.04943	3.0
95.08589	6.0
97.06512	2.2
97.10138	4.6
99.08079	8.1
105.07002	6.1
107.04955	3.1
107.08562	4.8
109.02848	1.4
109.06503	3.0
109.10140	2.9
111.04412	3.8
111.08038	2.8
117.07034	1.6
119.08556	3.7
121.06489	4.5
121.10137	3.9
123.11739	2.2
125.09608	2.7
131.08488	2.3
133.10104	3.1
135.11659	1.7
142.80179	1.3
149.09654	1.4
153.05440	4.3
157.09999	1.4
159.11662	1.6
160.68164	1.6
165.12715	3.6
181.12128	1.6
191.10611	3.1
195.13831	2.1
209.11684	23.3
236.14052	1.6
237.11180	17.5
255.12234	4.2
265.21375	1.7
269.88483	1.3
275.19992	5.9
293.21042	100.0
294.21384	6.1
310.05185	1.5
311.20059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.69886	3.7
52.70132	3.7
53.03939	8.6
53.36911	3.7
55.01851	13.9
55.05502	48.6
57.03418	7.5
57.07060	9.7
57.33042	4.1
59.62569	3.6
61.54274	4.2
67.05148	6.2
67.05498	100.0
69.03431	9.6
69.07060	52.6
71.04976	8.9
73.54034	4.0
79.05472	52.7
81.03383	6.3
81.07043	99.1
82.07362	4.3
83.04958	12.6
83.08611	34.6
83.77394	3.8
85.06523	10.8
91.05464	35.2
93.07040	49.2
95.04958	18.2
95.08591	65.5
97.02898	7.2
97.06527	55.6
97.10153	35.1
99.08056	6.1
105.07005	43.5
107.04953	7.9
107.08587	46.8
109.06497	11.4
109.10141	58.9
111.08075	7.7
117.06998	15.1
119.08559	33.9
121.06452	9.6
121.10096	28.0
123.08038	11.5
123.11687	13.4
125.09605	25.7
129.07007	7.4
131.08534	19.8
133.10071	30.0
135.08058	7.9
135.11668	13.0
137.05983	18.3
137.09612	10.4
139.11127	5.5
140.06284	4.6
141.06995	6.4
143.08583	6.9
145.10118	18.6
147.07962	6.5
147.11668	21.0
149.09633	14.1
149.13258	8.3
151.11185	5.7
157.10100	8.0
159.08131	5.3
159.11658	15.2
163.11131	4.5
165.07109	4.1
165.08928	4.4
167.08632	5.9
167.10648	5.1
169.10141	6.4
171.11642	9.9
173.11716	10.4
173.13162	10.1
177.05464	4.8
177.12610	5.3
178.05841	4.7
181.12189	5.4
182.06993	4.1
183.11632	7.0
187.07651	4.7
187.11079	4.5
187.48553	4.4
189.11218	14.5
195.08167	4.2
197.05894	4.8
200.08351	9.0
209.15427	4.8
213.09236	4.2
215.06993	5.9
215.10660	19.2
219.07957	17.7
225.05586	5.4
225.09033	5.7
229.19438	6.2
239.10533	7.6
247.07602	5.9
247.20453	6.4
251.10606	13.2
257.18954	12.1
267.13867	6.3
275.19998	66.4
279.10117	14.1
280.10733	5.9
281.08102	5.1
293.21069	30.6
311.05392	11.3
311.09064	19.2
311.12738	31.9
311.16339	42.2
311.19702	8.5
311.29395	6.2
312.13049	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	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.05495	12.5
57.03413	3.1
57.07059	7.4
63.35847	3.2
64.14929	3.0
67.05496	20.0
67.05789	3.7
67.80685	2.6
69.07069	16.4
69.91618	2.8
79.05482	14.3
81.07048	22.5
83.04961	8.5
83.08620	7.6
91.05469	14.4
93.07039	17.9
95.04925	5.5
95.08585	12.5
98.20760	8.0
105.07023	20.3
107.04929	4.0
107.08569	11.4
109.06503	8.2
109.10143	9.3
117.07003	5.8
119.08575	8.6
121.06448	8.2
121.10123	6.2
123.08166	2.9
123.11700	3.8
125.09600	3.3
125.21046	2.6
131.08556	8.7
133.10120	9.2
145.10094	11.7
147.11688	9.8
149.09590	4.0
149.13199	3.1
151.11116	5.6
156.02077	3.1
157.10078	4.0
158.01817	4.1
159.11714	4.9
161.13229	4.4
163.11174	5.9
173.13188	5.6
177.12842	3.1
207.13718	4.1
209.11737	14.2
219.13744	3.0
229.19548	3.3
237.11143	13.5
239.17990	3.1
255.12045	4.9
257.18921	10.1
275.17188	6.1
275.20044	100.0
293.21118	27.5
306.15424	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	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.91356	0.5
55.01854	2.1
55.05504	14.5
57.07072	2.7
58.47526	0.5
67.05184	0.8
67.05493	7.2
69.03410	1.0
69.07057	3.6
69.86566	3.8
70.33699	0.5
70.43052	0.5
71.08248	0.8
71.08622	10.7
79.05475	6.1
81.03390	1.0
81.07048	7.6
83.04959	2.4
83.08605	7.2
91.05453	2.1
93.07024	3.9
95.04948	2.4
95.08583	3.8
97.06517	1.3
97.10150	8.7
99.08083	6.2
105.07002	2.2
107.04929	1.9
107.08578	4.2
108.05726	1.3
109.06503	1.4
109.10142	2.0
111.04452	1.6
119.08540	0.8
121.06491	5.7
121.10117	1.5
123.08020	0.8
125.09630	6.1
131.08522	1.3
133.10072	0.9
135.08041	0.9
135.11676	1.0
143.08511	0.6
145.10083	1.4
149.09517	0.6
149.13264	0.6
151.11197	1.4
153.05441	1.0
157.10106	0.7
163.11142	1.1
164.11884	0.9
165.12718	1.0
177.12711	2.6
189.11209	3.1
197.13188	0.7
209.11667	4.7
237.11191	5.7
237.14915	0.7
255.12387	1.0
257.19070	1.1
265.21707	0.6
274.63342	0.6
275.19958	6.3
293.21060	100.0
294.21509	3.6
311.16129	0.6
311.20184	0.8
311.23703	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.221
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.08761	5.1
53.03946	9.1
55.01858	16.1
55.05499	45.2
57.03416	9.1
57.07073	37.6
67.05491	71.9
69.07057	51.5
70.06587	5.4
71.04971	9.5
71.61617	4.7
78.36419	4.5
79.05483	51.0
80.25167	5.3
81.03401	8.1
81.07045	85.0
83.04958	21.3
83.08596	27.2
85.06520	7.6
91.05478	44.0
93.07020	49.7
95.04939	22.3
95.08591	66.2
97.06503	18.9
97.10142	12.3
99.04437	4.8
105.07021	39.3
107.04955	12.9
107.08575	45.7
109.06482	12.8
109.10124	37.6
111.04435	24.9
111.08060	16.2
117.06958	13.0
119.01476	5.2
119.08573	31.2
121.06466	7.0
121.10114	25.4
123.08040	12.4
123.11660	9.5
125.05974	9.5
125.09613	12.7
131.08536	21.2
133.10080	36.2
135.04381	5.4
135.08093	6.8
135.11658	16.1
137.09586	14.5
139.11110	11.6
145.10083	23.4
147.11646	14.4
149.02278	10.6
149.09589	19.6
149.13242	6.3
151.11182	8.9
153.05411	12.0
153.12717	9.2
157.10133	12.7
159.11697	12.6
161.13245	6.2
163.11115	12.9
164.11337	5.7
171.11629	5.9
173.13261	6.7
181.04851	6.5
181.12187	16.1
191.10590	12.4
193.04974	12.6
203.12631	6.5
209.11691	100.0
223.13297	9.7
224.65453	5.9
235.16824	6.2
237.11174	83.8
247.20607	7.6
255.12193	20.1
257.18948	14.3
275.20026	80.7
289.05176	6.3
289.10651	5.2
292.48837	5.0
293.17831	9.0
293.20813	39.6
300.01208	5.9
311.05286	5.3
311.25217	46.2
311.74503	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	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01865	6.0
55.05276	1.0
55.05506	11.7
57.03416	1.1
57.07067	30.3
59.04977	0.8
65.03925	0.7
67.05495	10.3
68.99766	2.1
69.03420	1.8
69.07061	6.2
69.84351	1.6
69.84769	3.4
71.01331	2.7
71.04985	1.3
71.08620	0.9
77.06532	0.6
79.05487	10.2
81.03392	2.9
81.06624	0.8
81.07050	10.7
83.04517	0.9
83.04973	11.8
83.08601	6.3
85.02877	2.4
85.06549	1.2
91.05479	6.2
93.07036	10.7
95.04395	1.0
95.04955	11.3
95.08598	6.1
97.06514	5.2
97.10165	3.8
99.04452	1.8
99.08075	1.5
101.02367	1.3
103.16425	0.6
105.07025	4.6
107.04931	4.5
107.07923	0.7
107.08585	9.6
109.02872	4.6
109.06487	1.9
109.10137	4.3
111.04427	25.0
111.08044	4.0
117.06982	1.6
119.08568	5.5
121.06489	1.9
121.10128	7.5
123.08033	1.2
123.11655	1.0
125.05972	7.8
125.09602	4.4
127.07536	1.6
129.06949	1.0
131.08516	3.1
133.10107	3.2
135.04408	4.1
135.08012	1.8
135.11688	3.7
137.05959	1.1
137.09598	1.3
139.11174	1.0
141.09132	1.0
142.07677	0.8
143.08516	1.0
145.06516	0.7
145.10100	4.6
147.08029	1.1
147.11684	2.0
149.08403	1.0
149.09589	7.8
153.05457	21.2
153.09085	1.0
153.12726	1.5
157.10149	1.2
159.11650	2.6
161.09558	0.9
161.13335	0.8
163.03896	1.2
163.11165	10.2
164.52296	0.6
165.09084	1.6
167.10655	0.8
169.10127	1.2
173.09492	0.8
173.13255	0.8
175.07550	1.2
177.09065	0.9
181.04915	4.6
181.06277	0.7
181.10580	1.0
181.12183	9.4
182.12582	0.7
185.13239	0.9
189.11253	3.7
189.12662	0.7
191.10641	14.6
193.08531	1.3
197.13232	0.7
200.08258	0.8
205.12280	1.1
209.11703	100.0
210.12064	5.1
219.10170	1.8
223.13260	10.0
224.13693	0.6
237.11183	80.2
238.11510	3.9
239.10570	1.2
239.17831	1.1
239.79813	0.7
247.20584	0.9
255.12260	16.3
257.18988	2.0
275.20016	14.0
293.17477	5.3
293.21057	10.7
294.21216	0.7
311.05740	1.4
311.09125	3.6
311.12460	1.0
311.18674	2.9
311.22223	2.2
312.18958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03928	8.5
53.56261	2.8
55.01859	11.2
55.05494	15.3
57.07065	32.7
59.04969	2.7
59.50547	2.4
67.05493	33.7
68.99792	2.6
69.03398	4.2
69.07061	16.2
70.06573	4.3
71.04978	5.3
71.07178	4.8
71.07490	4.3
71.08614	5.7
74.03007	2.7
77.38615	2.7
79.05486	25.7
81.03409	19.2
81.06563	3.7
81.07046	60.3
82.07358	3.6
83.04980	13.9
83.08603	8.2
91.05489	14.0
93.07034	21.6
93.26904	2.9
95.04953	20.6
95.08585	29.4
97.06513	16.9
97.10194	3.1
98.20757	2.6
99.08084	4.8
100.12542	2.9
103.87054	2.5
105.07020	18.1
105.41777	2.9
107.04935	12.8
107.08562	15.4
109.02835	6.1
109.06508	22.6
109.10145	7.6
111.04418	23.1
111.08067	6.5
117.07011	9.6
119.08577	14.2
121.06519	5.6
121.10132	9.5
123.08048	11.0
125.05996	5.9
125.09566	4.1
129.07034	3.7
131.08542	8.4
133.10109	13.3
135.04422	3.8
135.08028	3.8
135.11678	10.5
139.11221	2.8
143.08583	3.9
145.06439	3.0
145.10092	8.8
147.11671	7.0
149.02332	6.6
149.09590	6.0
149.13219	3.2
151.11163	3.2
153.05452	17.6
155.10643	4.6
157.10075	5.7
159.11705	8.4
161.05904	3.5
163.11200	14.2
169.10123	6.8
171.11644	2.9
177.12712	6.8
179.14268	8.7
181.04984	7.5
181.12187	8.8
187.11281	4.4
191.10616	12.4
193.04936	9.7
195.13850	3.7
203.38530	3.3
205.12134	3.3
209.11707	100.0
215.74561	2.9
221.15347	7.7
223.13278	10.3
237.11189	79.4
241.14323	5.7
255.12323	17.6
275.20041	32.3
293.17651	4.6
293.20831	27.7
311.20682	4.7
311.24667	30.0
311.74802	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	311.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01865	7.4
55.05493	3.3
56.05017	2.8
56.09652	1.9
56.96548	7.2
57.03439	14.5
59.82874	2.0
61.02899	6.2
63.03072	2.0
67.72524	2.2
68.99769	1.8
69.03425	53.4
70.03761	1.9
70.06577	7.7
70.25725	4.9
70.26115	4.2
71.01332	2.5
71.04978	6.4
73.00737	1.8
73.02901	11.2
79.05470	7.4
81.03403	22.3
81.07027	3.2
82.06564	3.2
83.04951	6.0
84.04485	2.5
84.08113	3.2
85.02895	34.9
91.05457	9.8
93.14416	1.9
95.04952	7.0
97.02881	44.8
98.20775	2.7
98.21302	3.8
98.97569	12.4
99.04440	6.3
103.03919	5.7
103.05473	12.7
105.07042	4.3
107.04940	10.4
109.02846	6.3
111.04382	3.8
115.03902	9.8
115.05458	8.3
116.98595	11.1
117.06974	3.8
119.04951	18.6
121.06486	8.5
122.03632	6.1
123.04417	6.5
127.03898	24.7
128.98578	3.0
129.05447	5.9
131.04929	21.6
133.02821	5.0
133.06491	4.9
133.07550	4.1
134.99698	4.9
135.04399	5.7
136.07593	5.0
137.05960	100.0
141.06981	9.6
143.04854	3.5
144.05666	3.2
145.04955	5.2
145.06496	9.8
146.03677	2.7
147.04401	24.0
149.05965	30.6
151.03883	13.0
151.06407	2.4
151.07494	12.6
157.06451	4.7
159.01184	2.1
159.04398	9.1
160.05168	7.4
161.01253	3.1
161.05919	5.7
161.07092	14.7
163.07474	13.8
164.04707	4.2
165.05510	4.5
167.07034	12.5
169.05153	2.9
169.06406	12.8
173.05940	3.3
175.07483	9.9
176.04695	5.0
177.00662	2.6
177.05450	36.1
177.08934	3.3
179.06976	15.7
179.08302	2.1
180.08870	5.0
182.08182	2.3
183.04460	3.8
186.06804	2.7
187.07504	9.1
188.04657	3.2
189.05460	6.4
191.06975	46.2
193.04483	4.3
195.11218	2.3
197.05974	8.6
200.04504	2.9
201.05527	4.0
201.09099	5.9
203.06967	15.3
205.08633	2.9
207.06468	4.6
211.22481	2.1
214.06224	2.5
215.07028	13.6
217.08595	3.4
219.06612	2.3
221.08083	9.6
223.04208	5.4
229.08493	16.9
233.08098	10.0
245.09026	2.9
247.09575	3.5
257.07861	11.0
269.05530	2.8
275.09256	8.0
287.04532	2.7
293.05466	4.5
293.10492	9.3
293.14893	8.5
311.06519	10.9
311.11551	9.0
311.15921	28.4
312.16202	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0646
Annotation	Aplysinol
Peak:m/z	Relative Intensity
54.49986	1.4
56.96303	2.7
56.96559	34.9
57.03413	6.1
58.61578	1.4
69.03421	7.2
69.07063	1.7
70.06576	2.6
70.35164	3.5
70.35558	3.1
70.98101	2.0
71.95237	2.3
73.02913	2.6
74.02351	1.6
74.97603	2.5
81.03392	5.2
84.08144	3.8
84.96036	12.3
85.02899	7.7
86.09663	1.9
87.04459	2.9
91.05453	2.7
97.02890	9.3
97.96788	6.2
98.20761	1.9
98.97565	71.9
102.97013	2.1
110.97557	4.7
112.99097	2.1
116.98609	53.0
117.01966	1.6
119.01863	3.3
119.04968	1.8
121.06534	1.9
124.99137	2.4
128.98608	6.8
131.00154	5.3
134.99620	20.2
136.06200	8.3
136.07590	2.6
137.05949	3.5
140.22383	1.5
140.98570	1.9
141.99324	3.0
143.00139	17.2
145.01674	2.1
146.99669	3.5
149.01236	4.6
155.00224	3.2
157.01714	4.1
158.99629	6.5
161.01225	11.2
170.06606	6.0
170.99574	1.7
173.01251	8.2
173.13098	1.6
175.02795	2.5
177.00752	10.4
177.04147	2.7
182.99629	2.1
188.07576	1.7
191.02301	7.2
192.04602	2.6
201.00668	4.1
202.04848	2.9
205.00218	2.3
207.05234	2.1
208.05003	2.9
214.05951	2.0
215.02449	1.7
215.43794	1.8
216.98798	2.7
219.01846	7.5
223.06483	2.9
229.00523	2.7
233.03322	6.5
234.99754	4.8
237.02817	5.3
242.04300	1.7
251.04388	12.6
256.95795	1.9
269.05371	31.8
287.06430	7.3
293.05371	27.4
311.06470	100.0
311.09601	5.2
312.06818	3.0
329.07562	5.7
329.15430	3.5
334.08090	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	309.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65245	4.1
55.05505	50.4
57.07069	45.9
63.20960	4.4
67.05499	43.7
69.07058	95.3
70.92405	8.7
70.92794	10.8
71.08620	31.8
77.92209	4.0
79.05472	4.6
79.22353	4.5
81.07047	92.4
82.12215	4.4
83.08612	63.7
85.06516	13.8
85.10152	12.7
93.07028	5.1
95.08018	6.6
95.08591	100.0
97.10168	38.4
99.08094	12.3
109.10150	48.8
111.11707	30.2
123.11671	28.4
125.13263	15.6
137.13274	6.0
137.36156	4.6
151.14868	5.7
156.74364	4.2
165.16391	5.2
181.31708	4.2
244.26944	4.7
290.81848	5.5
291.30444	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	310.1467
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.05505	6.0
57.03419	1.4
58.99575	3.5
60.04499	1.2
63.50410	1.0
67.01807	1.1
67.05508	2.0
68.05009	1.2
69.03417	3.8
69.04840	1.0
69.07067	1.7
70.02934	4.3
70.06578	2.6
76.02235	1.4
79.05471	3.3
81.03391	2.4
81.07044	3.1
82.06547	1.2
83.04968	11.0
84.04493	1.4
84.08124	2.4
85.01169	1.1
85.02924	1.6
86.09700	2.0
86.99039	1.8
88.03985	35.7
91.05475	5.7
93.07027	4.9
94.06551	1.0
95.04922	2.0
95.08613	2.1
96.04501	1.3
97.01125	1.1
97.02879	8.1
98.03211	1.4
99.02634	1.5
105.07017	21.8
107.04928	1.4
107.08592	10.7
108.08117	3.3
109.02838	1.3
109.06467	1.1
111.02645	4.7
117.03344	2.9
117.06979	1.3
118.03694	1.4
119.04910	1.6
119.08557	11.7
120.01156	1.6
120.05278	2.1
120.08088	1.9
121.06418	1.2
121.10133	5.2
122.02694	1.3
122.09653	2.1
124.07590	2.9
125.04223	6.4
126.03747	1.3
131.04924	2.7
131.08530	1.8
133.06462	1.9
133.10104	6.0
136.07564	2.6
137.02374	8.4
137.04184	27.2
137.05882	2.2
138.05469	3.1
139.05756	18.2
140.05193	1.8
141.01836	1.4
144.09331	1.6
145.02783	5.4
145.10074	5.9
146.03159	4.4
147.04408	7.3
147.07980	1.8
147.11673	17.9
148.04712	7.9
149.04163	1.7
149.06003	2.0
149.13434	1.2
150.09125	1.5
151.05750	2.6
159.11676	10.2
161.06023	1.2
161.09572	3.0
161.13231	14.6
161.46628	1.1
163.05736	1.7
165.07318	2.5
165.12820	1.3
166.06847	4.4
167.05206	3.0
171.11697	1.4
173.09581	2.2
174.10468	1.9
175.35307	1.1
177.05434	9.7
177.06918	1.5
178.05798	12.0
179.08934	6.2
180.08405	1.9
181.10454	9.9
187.11154	7.5
189.12730	24.1
191.14276	5.3
193.10493	5.8
194.08868	1.1
194.58887	1.5
205.14645	3.2
206.09795	1.2
206.15442	1.2
208.07933	2.6
209.06218	2.2
212.07408	9.8
221.09941	14.7
223.11469	31.8
226.08894	7.0
251.10892	3.1
252.10542	4.1
254.08470	2.3
264.14249	2.6
292.09000	2.3
292.13669	1.8
293.12012	3.7
296.34860	1.0
310.03949	2.2
310.09695	5.3
310.14673	100.0
311.05627	1.6
311.09058	2.0
311.15100	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	310.2524
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03933	0.9
55.05511	3.6
57.07051	1.8
65.28963	0.5
67.05500	5.6
69.07054	3.7
70.06585	6.8
72.12764	0.5
79.05483	7.4
80.05009	0.9
80.05821	0.8
81.07047	7.0
83.07352	1.7
83.08607	0.9
91.05474	7.8
93.07036	8.9
94.06525	0.7
95.04950	1.1
95.08588	3.5
96.08126	2.5
97.02834	0.6
97.06522	0.9
97.10158	0.9
98.09669	0.6
101.26130	0.6
105.07011	8.3
107.08568	4.2
108.08116	1.3
109.06476	0.6
109.10136	1.4
112.11139	0.5
113.05984	0.6
116.06209	0.8
117.07006	3.5
118.06527	0.8
119.08569	7.1
120.08067	1.9
121.06537	0.6
121.10107	1.6
122.09643	5.9
128.06264	1.0
129.06990	7.7
130.47482	0.6
131.08560	9.9
133.10121	2.9
134.09579	1.0
136.06126	0.5
136.11192	1.4
137.11966	1.5
141.07018	0.7
142.07790	1.3
142.37003	0.6
143.08566	5.5
144.09265	1.7
145.10095	5.5
146.09610	3.3
147.11671	1.5
148.11171	0.9
149.13239	1.4
150.12766	1.1
153.05461	0.7
155.08557	1.0
157.08868	1.0
157.10083	6.6
158.09651	1.0
159.11667	1.6
160.11176	1.9
161.13228	2.1
162.12708	1.0
163.11107	0.7
169.10117	0.8
170.09615	1.2
171.10349	0.9
171.11679	2.7
172.11165	1.0
173.13255	7.4
174.12752	4.6
175.14812	1.0
183.11743	0.6
184.11256	1.2
185.13306	1.5
186.12738	9.2
188.10010	0.5
188.14343	2.0
190.15881	0.9
198.12732	2.1
199.14894	1.1
200.14433	1.3
204.17326	0.5
209.11656	2.8
211.13481	0.6
212.14362	3.8
224.14365	1.3
226.15866	3.8
228.17476	2.2
237.11115	3.8
238.15886	1.9
240.15123	0.8
240.17448	5.3
241.18109	1.5
242.18948	0.8
252.17429	3.9
253.18086	0.8
254.18886	3.0
255.12138	0.9
266.19046	1.7
275.19955	1.3
280.20648	3.2
281.21234	1.1
292.19769	1.2
292.22729	2.2
308.23694	1.5
310.25259	100.0
311.25473	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	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03933	3.7
55.01862	5.3
55.05506	36.2
55.53067	1.6
57.03426	4.8
57.07074	20.3
58.49597	1.9
59.05004	1.7
65.03906	1.5
66.74265	1.5
67.05494	50.3
69.03413	5.4
69.07059	48.7
71.04974	5.5
71.08621	10.6
71.42661	2.4
71.43008	2.0
79.05482	38.2
81.03419	4.1
81.07045	100.0
83.04961	10.2
83.08605	37.0
85.06535	5.5
85.10168	4.2
89.03907	3.2
90.83045	1.7
91.05470	31.0
93.07033	47.7
95.04961	14.6
95.08595	88.9
96.08930	2.3
97.02886	17.7
97.06523	13.6
97.10155	25.9
99.08078	3.0
105.07018	32.4
107.04939	2.0
107.08587	29.1
109.06510	9.9
109.10143	44.2
111.08073	6.0
111.11710	7.7
113.05988	1.9
117.03384	9.3
117.06993	4.0
119.04927	3.3
119.08577	25.2
121.06521	2.8
121.10130	25.2
122.10419	1.8
123.08054	26.3
123.11685	21.9
125.09589	9.4
131.08546	2.8
133.10110	23.6
135.08037	2.2
135.11682	18.5
137.09595	12.1
137.13211	9.5
141.09109	2.1
145.02817	26.9
145.10080	2.2
146.03154	2.2
147.04359	14.8
147.11673	22.7
149.06017	4.1
149.13232	14.1
151.11194	4.0
151.14848	3.8
155.10643	2.2
157.90196	1.9
161.13232	13.9
163.11133	3.8
163.14780	8.8
165.09108	2.3
165.12755	5.6
165.16333	3.3
167.08557	2.4
169.12233	1.8
175.11147	1.7
175.14847	6.4
177.05453	47.5
177.16307	3.0
178.05856	2.0
178.07660	2.3
179.14360	3.2
179.17982	1.9
189.11157	2.9
189.16399	4.4
191.17975	3.6
203.17975	4.2
217.16003	1.8
217.19504	5.5
245.18898	2.4
263.20065	1.9
267.06442	4.4
273.15707	1.8
273.18460	9.4
273.25748	22.0
291.08875	2.1
291.19565	12.4
291.26773	15.2
309.07483	8.1
309.11069	7.4
309.20425	5.3
309.27835	22.0
310.27945	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	309.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01860	3.2
55.05505	30.0
56.42248	1.6
57.03430	8.1
57.07077	14.7
57.98494	1.8
65.03922	2.8
67.05498	43.9
69.03429	9.3
69.07063	38.2
71.04977	8.9
71.08612	8.3
73.02892	2.0
79.05487	32.8
81.03400	7.2
81.07047	74.3
82.03745	1.6
83.04977	15.3
83.08618	25.6
85.02885	3.2
85.06536	6.6
85.10160	2.8
88.49155	1.9
89.03907	8.1
89.25401	1.8
90.02402	1.6
91.05472	24.3
92.64175	1.8
92.97275	2.1
93.07036	44.8
95.04948	23.5
95.08597	66.3
95.09203	3.7
97.02876	48.0
97.06516	20.5
97.10149	16.6
99.08092	5.4
104.16823	1.7
105.07019	24.4
107.04935	4.7
107.08580	28.7
107.09261	3.1
109.02838	1.9
109.06487	10.4
109.10155	32.5
111.04407	1.8
111.08063	6.7
111.11718	8.1
113.05977	6.8
115.03943	2.0
117.03377	18.1
117.06995	4.7
119.04939	6.1
119.08575	17.5
121.06499	2.3
121.10127	22.0
123.04398	6.8
123.08083	10.8
123.11701	15.1
125.09611	4.3
127.07542	2.5
131.04884	2.0
131.08560	6.8
133.10117	16.4
134.03609	2.3
135.04402	2.5
135.08043	4.2
135.11659	16.6
137.06026	2.5
137.09615	9.4
137.13213	6.8
139.11201	2.7
141.06953	1.7
143.08516	3.6
143.96286	1.8
145.02829	52.9
145.06451	1.9
145.10138	4.5
146.03217	3.0
147.04387	34.5
147.11649	13.7
149.02397	1.7
149.05942	7.5
149.13237	10.2
151.11130	2.0
151.14784	3.1
152.06172	2.3
155.08562	2.4
157.10077	3.3
159.11592	2.9
161.13235	8.8
163.11250	2.8
163.14795	6.2
165.07019	3.6
165.12776	2.6
167.08424	2.3
171.11641	2.7
175.11089	2.7
175.14796	3.3
177.05453	100.0
177.16348	2.9
178.05809	6.4
178.07768	4.0
179.08536	2.9
189.11266	2.4
189.12784	3.2
189.16339	3.4
195.08139	3.8
203.17940	2.7
205.34251	1.8
206.07237	1.7
207.13719	2.8
209.09592	2.5
211.07498	2.5
213.09053	6.1
217.15956	3.3
217.19536	4.3
227.06778	3.0
235.13313	5.0
237.08984	4.3
255.06436	1.8
263.06720	2.2
267.06503	13.5
273.18509	4.0
273.25769	15.5
277.08484	3.0
281.11557	3.0
291.19498	8.2
291.26801	12.4
309.07132	12.0
309.10925	10.9
309.14603	3.8
309.17450	3.3
309.20651	5.0
309.27911	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03941	3.1
55.01856	3.5
55.05501	32.6
57.03425	6.3
57.07066	20.4
59.04985	1.5
65.03916	1.1
67.05495	42.7
67.05858	2.1
69.07057	43.9
70.20579	5.8
71.04974	7.6
71.08616	12.2
79.05478	29.4
81.03412	2.4
81.07043	100.0
83.04977	6.2
83.08605	26.4
83.09087	1.6
85.06542	4.3
85.10167	5.4
87.93974	1.1
91.05458	19.6
93.07030	42.6
95.04961	8.9
95.08591	82.7
97.02904	3.1
97.06509	7.3
97.10150	19.1
98.20804	1.7
99.08066	2.0
103.05392	1.4
105.07010	29.8
107.04947	5.2
107.08577	28.7
107.09270	2.4
109.06488	8.5
109.10135	38.5
111.08064	4.0
111.11713	9.3
117.03405	1.6
117.07001	6.0
119.08558	25.9
121.06495	2.2
121.10130	21.3
123.08022	10.8
123.11698	16.7
125.09611	6.2
125.13221	1.3
129.06998	2.5
129.12773	1.3
131.08539	4.0
133.06552	1.3
133.10115	17.2
135.08014	1.4
135.11652	14.8
137.09607	10.5
137.13243	8.6
139.11171	3.1
141.09109	1.2
145.02815	3.9
145.10100	4.8
147.04413	1.9
147.08037	4.8
147.11667	20.1
149.13240	12.2
151.11159	3.8
151.14775	4.9
157.10028	1.6
159.11717	2.0
161.13255	12.5
163.14827	7.0
165.12753	7.3
165.16341	3.0
175.11227	1.4
175.14807	6.9
177.05406	6.3
177.16376	4.3
179.17856	2.0
189.11276	2.4
189.16350	5.7
191.17990	2.1
201.12648	1.6
203.17906	4.1
217.19514	5.0
219.13779	1.6
222.64319	1.1
247.24200	2.1
273.18506	10.3
273.25714	25.7
276.01724	1.1
283.80673	1.4
285.41800	1.2
291.19531	12.9
291.26730	16.3
292.19836	2.0
292.27286	1.3
309.27805	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2207
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03928	3.8
55.01863	6.8
55.05502	17.4
57.03416	4.0
57.07059	5.1
67.05505	41.7
69.07048	25.5
69.97130	15.9
69.97551	5.4
79.05486	32.1
81.03402	3.9
81.07040	46.2
83.04935	3.7
83.08595	9.3
91.05466	41.9
91.18691	3.8
93.07039	64.5
95.04954	52.7
95.08599	38.3
97.06505	16.2
103.05456	4.2
105.06344	5.2
105.07020	76.1
107.08582	39.8
109.06511	14.2
109.10152	25.9
117.07000	18.6
119.08556	57.9
121.06476	8.6
121.10126	85.3
122.10442	4.7
123.08055	9.4
123.11632	7.1
128.06184	10.1
129.06970	15.3
130.07805	7.0
131.08565	29.4
133.10107	40.1
133.77863	3.8
135.08009	7.2
135.11665	13.8
141.06995	4.4
142.07753	13.3
143.08539	29.1
144.09297	8.7
145.06442	5.3
145.10104	52.8
147.08063	5.1
147.11644	15.3
149.09549	4.5
149.13173	4.6
155.08510	12.8
156.09264	10.7
157.10091	35.4
157.68910	3.6
158.10834	5.4
159.11681	35.2
161.09627	7.4
161.13284	5.5
165.06999	4.9
167.08498	7.8
168.09351	5.3
169.10106	15.7
170.10783	5.7
171.11688	21.6
172.12379	5.7
173.13211	17.5
175.14856	4.3
179.08600	6.2
180.09239	6.6
181.10139	4.5
182.10901	5.3
183.11644	19.9
185.13213	13.6
187.11188	10.9
187.14780	14.8
189.12740	4.9
189.16382	5.5
193.10088	5.8
195.11681	10.3
196.12384	4.4
197.13214	14.1
199.14751	12.9
201.16261	4.2
207.11696	6.9
209.13248	10.8
211.14793	10.8
225.16443	6.3
229.15700	7.0
233.13046	4.1
235.14789	9.3
239.18092	4.2
249.16400	6.5
252.69583	3.9
253.15849	7.5
259.19727	4.1
265.19495	7.7
277.21320	5.1
281.22580	7.6
291.21014	15.7
305.37219	3.5
309.18478	5.0
309.22058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01858	6.6
55.05488	16.8
57.03418	8.8
57.07077	4.3
61.52872	3.7
63.93624	3.6
67.05491	40.0
67.77984	3.8
69.07051	24.6
70.76851	8.5
70.77184	5.6
71.68633	3.7
78.55076	3.8
79.05056	5.9
79.05465	30.4
81.07043	40.3
83.08621	7.1
85.74554	3.8
91.05460	47.3
93.07032	70.6
95.04953	54.0
95.08593	36.1
97.06491	24.4
105.07015	79.3
107.04897	5.1
107.08566	32.3
109.06490	8.5
109.10120	22.9
115.05415	7.3
117.07024	13.8
119.08561	63.2
121.06480	8.6
121.10119	100.0
123.08031	10.9
123.11673	7.0
128.06172	7.2
129.07005	10.7
130.07761	8.3
131.08539	33.7
133.07674	4.6
133.10095	41.5
135.11629	10.5
141.06932	5.0
142.07785	20.3
143.08528	31.7
144.09425	5.3
145.10109	53.3
147.07964	6.0
147.11687	10.8
155.08543	13.1
156.09311	16.5
157.10098	38.3
159.11659	41.5
161.09607	7.8
161.13162	8.0
167.08545	4.7
168.09294	5.1
169.10072	17.9
170.10851	4.3
171.11674	17.7
173.13251	14.6
175.14774	7.9
181.10059	13.0
182.10948	5.4
183.11649	15.3
185.13283	6.2
187.11159	13.4
187.14813	13.6
189.12688	5.1
193.10181	5.6
195.11652	7.2
196.12384	6.9
197.13164	8.6
199.14796	10.3
201.12717	5.6
207.11693	8.2
209.13261	13.5
210.13997	5.4
211.14696	7.5
213.16386	5.4
235.14810	4.7
239.14256	4.7
239.17908	5.0
249.16397	4.3
253.15767	7.3
262.17029	4.7
265.19443	5.5
273.06992	4.4
277.21356	8.9
281.22580	8.1
291.21048	8.1
309.22086	86.9
310.22412	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	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03943	20.8
55.01849	12.0
55.05505	22.2
57.03422	23.6
57.07052	3.1
67.05495	57.0
69.03403	8.9
69.07059	18.0
69.91387	14.7
71.04985	13.5
79.05482	57.8
79.27574	2.7
81.03406	33.2
81.07043	100.0
82.07404	2.8
83.04963	17.8
83.08596	12.0
85.06512	6.9
91.05470	35.3
93.07029	52.3
95.04949	21.5
95.08593	46.9
97.02859	12.0
97.06516	27.9
97.10133	4.0
99.08067	11.2
105.07018	34.1
107.04952	21.2
107.08581	26.1
107.19667	2.6
109.06506	62.8
109.10143	17.6
111.04432	17.1
111.08061	8.4
113.05962	3.2
117.03348	7.4
117.07008	19.5
119.04976	3.9
119.08568	19.9
121.06483	12.3
121.10152	13.4
123.08072	19.8
123.11603	3.3
123.16932	3.0
125.09626	6.3
127.07527	6.3
129.06952	7.9
131.04955	3.1
131.08560	19.9
133.10095	25.2
135.07994	20.4
135.11664	13.3
137.09550	6.0
141.06938	5.3
143.08560	4.4
145.02826	11.4
145.06477	8.8
145.10117	14.2
147.04352	9.4
147.08000	6.8
147.11650	5.8
149.09569	12.3
149.13243	5.4
151.11168	4.3
157.10132	6.2
159.11748	16.5
161.09593	7.7
161.10895	2.9
161.13206	3.0
169.10121	6.5
171.11603	8.3
173.13219	3.7
175.11186	3.3
177.05452	26.1
177.12764	8.2
185.13260	4.5
187.11095	10.1
195.13773	5.9
199.14755	6.4
217.15906	15.2
219.13786	4.7
221.15352	3.2
233.15239	5.9
245.19037	3.1
253.49359	2.8
255.17340	5.7
263.20020	3.0
273.18454	27.0
290.99338	2.6
291.19501	65.2
292.19827	3.2
306.37631	2.5
309.07275	3.3
309.20529	16.6
310.93219	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01856	5.6
55.05494	5.4
56.33025	1.9
57.03170	3.1
57.03426	39.9
63.00093	2.0
67.05492	26.0
69.80210	12.4
70.78880	2.0
71.04984	3.8
77.47574	2.2
79.05476	12.2
81.03429	1.9
81.07030	9.0
83.08602	2.4
85.06536	31.9
91.05461	12.1
93.07014	12.0
95.04943	37.2
95.08596	6.0
105.07012	10.0
107.04935	3.6
107.08570	8.6
109.06501	35.2
113.05989	100.0
114.06289	2.0
117.06984	5.8
119.08578	4.2
121.10166	4.8
129.06921	2.3
131.08528	8.8
133.10043	2.8
133.84186	1.8
135.08012	39.3
135.11703	2.8
143.08516	3.4
145.10056	3.7
145.93799	1.9
149.09569	3.6
157.10114	2.8
161.09581	5.0
177.12801	2.2
199.14806	3.3
213.12648	2.2
215.07928	1.9
217.15884	9.3
226.40337	2.1
273.18463	13.7
291.19507	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03925	5.3
53.11523	1.6
55.01865	18.3
55.05504	36.7
57.03432	4.2
57.07059	3.2
59.04983	2.4
65.03925	4.7
67.05495	78.7
69.03403	5.9
69.07063	30.0
70.65571	3.1
70.65939	3.3
71.04984	9.5
79.05032	2.6
79.05481	48.5
81.03410	8.9
81.07045	94.3
83.01328	5.1
83.04977	20.4
83.08605	13.4
85.02904	3.1
85.06515	8.8
90.38374	1.6
91.05467	54.9
93.07032	58.0
95.04951	17.1
95.08588	33.2
97.06512	7.1
97.10140	6.3
99.04438	4.7
99.08095	1.7
105.07017	53.6
106.07322	1.9
107.04964	8.7
107.08581	50.3
108.08911	2.1
109.06521	15.3
109.10142	85.3
111.04425	5.1
111.08067	9.6
113.05977	5.3
115.05419	2.4
117.03358	1.7
117.06970	9.2
119.04942	1.8
119.08556	22.8
121.06495	11.7
121.10109	16.7
123.04442	3.2
123.08051	6.8
123.11697	10.1
125.05983	2.6
125.09574	4.9
127.07546	2.0
128.06221	2.8
129.06958	5.8
131.08549	15.3
132.08791	1.8
133.06448	8.5
133.10110	100.0
134.10394	2.7
135.08041	7.7
135.11624	9.1
137.05963	5.3
137.09596	4.9
139.07567	8.2
139.11203	2.6
140.20052	1.8
143.08540	6.8
145.02971	1.7
145.06429	3.6
145.10121	14.0
147.04370	2.7
147.08022	11.7
147.11662	9.5
148.20085	1.7
149.09581	7.1
149.13264	2.5
151.11153	55.2
155.08449	2.3
157.10086	5.5
159.08012	5.0
159.11713	3.0
159.49782	1.6
161.09595	13.5
161.13231	5.4
163.11163	4.5
165.09093	2.9
165.12733	3.0
169.10127	2.5
169.12238	12.6
171.11671	8.0
173.09547	2.2
173.13208	2.3
175.11153	5.3
175.14728	1.7
177.05429	3.0
177.09102	2.0
177.12685	2.3
179.10654	4.0
179.14293	2.8
181.08578	4.0
181.12222	2.0
189.12706	3.7
193.12230	2.2
195.11667	2.6
197.13217	2.2
199.11163	3.2
199.14821	3.0
207.13724	3.4
215.12753	5.3
217.12238	2.8
227.17993	2.2
231.17409	2.1
245.18977	14.4
255.17323	4.2
263.20013	12.6
273.18439	29.8
274.18936	2.5
291.19510	69.8
292.19891	3.5
309.20599	24.7
309.24216	3.9
332.01331	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.98147	1.9
53.03925	3.0
55.01856	7.0
55.05244	3.2
55.05505	44.2
56.65406	2.4
57.03427	6.1
57.07060	3.3
59.89069	2.0
62.53597	2.1
67.05497	26.8
68.07776	1.8
69.03434	4.9
69.07050	16.4
70.88036	6.3
74.36141	2.3
75.79156	2.0
79.05489	28.0
81.03410	5.0
81.07043	34.9
83.04961	7.1
83.08601	20.6
91.05459	20.2
93.07028	21.8
94.99815	2.2
95.04950	12.1
95.08598	17.7
95.73207	1.9
97.02856	3.9
97.06501	3.3
97.10158	32.2
105.07005	14.1
107.04947	24.1
107.08573	21.4
109.06503	4.8
109.10137	13.3
111.04435	4.2
111.08057	4.1
117.06999	5.8
119.04926	2.2
119.08567	18.4
121.06463	2.3
121.10124	9.6
123.08087	15.9
125.09598	24.9
129.06972	3.9
131.08542	7.5
133.06512	3.8
133.10123	8.8
135.08031	11.9
135.11699	2.6
137.09613	5.2
143.08522	4.7
145.02838	3.2
145.10112	6.9
147.08054	6.2
147.11702	7.2
149.09657	5.8
153.09117	2.5
157.10089	3.9
159.11739	3.9
161.09596	2.5
165.09126	6.5
171.11621	3.6
175.11160	3.5
175.14745	3.4
177.05472	7.2
178.68327	2.1
185.13132	2.1
189.11220	19.7
199.14818	3.1
211.13242	2.7
223.13174	6.1
245.19002	3.1
273.18442	21.3
291.19507	100.0
292.19876	6.6
309.20630	13.3
309.25842	3.5
310.25293	4.2
328.98599	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	2.5
55.01862	7.0
55.05504	31.6
57.03428	1.7
57.07063	1.4
59.04980	0.9
66.84295	0.7
67.05138	1.3
67.05494	22.5
69.03428	3.3
69.07063	14.7
70.19135	2.9
70.19535	1.4
70.58595	0.6
71.01338	0.9
71.04980	2.6
71.05337	0.6
79.05484	19.7
81.03395	2.7
81.07046	24.7
83.04967	5.7
83.08603	16.7
85.02850	1.1
85.06512	1.2
85.86548	0.7
91.05465	14.3
93.07030	15.3
95.01324	1.1
95.04961	8.6
95.08590	10.9
97.02869	1.6
97.06521	3.3
97.10156	22.7
99.08070	1.2
101.09647	0.8
101.57680	0.8
105.03375	0.7
105.07017	12.2
107.04922	4.1
107.08576	15.0
109.02840	1.4
109.06508	3.8
109.10139	7.0
111.04435	3.1
111.08047	4.5
113.05984	1.4
117.03302	0.9
117.07021	3.4
119.04921	1.2
119.08569	9.0
121.06506	3.6
121.10139	6.7
123.04381	0.9
123.08059	9.0
123.11671	1.9
125.09614	15.7
128.06161	0.8
129.06979	1.9
131.08572	5.7
133.06502	3.7
133.10123	8.2
134.07286	0.8
135.08047	4.2
135.11674	3.6
137.06001	1.0
137.09604	3.2
139.07477	1.2
143.08546	2.5
143.10686	1.2
145.02844	1.2
145.06358	0.8
145.10117	5.3
146.10497	0.7
147.04362	1.2
147.08028	4.4
147.11700	4.6
149.09604	1.6
149.13223	1.0
151.11171	2.9
153.09053	1.6
153.12738	0.8
157.10106	2.4
159.08034	0.8
159.11658	2.3
161.09605	3.3
161.13199	1.0
162.10304	1.3
163.11171	3.3
165.09126	5.1
169.18326	0.8
171.10204	0.9
171.11658	2.0
173.09612	1.2
173.13182	0.8
175.11197	3.3
177.05464	1.2
177.12639	0.7
181.10132	0.6
181.12134	1.2
184.72072	0.7
185.09604	0.7
185.13095	0.8
189.11212	10.4
189.12766	1.4
191.10678	1.2
193.12260	1.6
199.11131	1.1
209.13405	0.8
223.13199	3.7
227.12724	1.1
227.17905	1.1
237.16389	0.8
245.19031	1.8
247.16801	0.7
249.14801	2.4
255.17329	1.7
263.19937	1.3
273.18448	14.2
277.21561	0.7
291.19501	100.0
292.19757	6.3
309.20676	6.7
309.24167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.98217	4.6
53.03922	8.0
55.01871	8.7
55.05506	48.6
57.03426	37.4
57.07053	8.2
67.05497	44.1
69.07064	35.8
70.71218	11.0
70.71552	6.0
71.04977	8.5
71.08611	4.8
72.61687	4.7
79.05484	63.1
81.06623	7.7
81.07055	100.0
83.04967	7.0
83.08620	31.3
85.06559	10.8
91.05468	41.8
93.07041	42.2
95.04940	11.8
95.08590	52.6
97.02855	5.2
97.06498	5.9
97.10156	26.2
105.07014	33.0
107.04918	24.6
107.08577	35.6
109.06528	33.1
109.10124	25.8
111.08041	6.8
117.07040	24.2
119.08576	55.3
121.06438	11.0
121.10121	17.6
123.08066	10.5
123.11703	5.6
125.09628	27.0
129.07001	10.9
130.02605	5.4
131.08572	12.3
133.10118	14.4
135.08037	11.9
135.11679	12.1
137.09549	7.9
137.13252	7.1
143.08531	8.0
145.10092	20.0
147.08063	23.9
147.11635	16.7
149.09578	6.6
149.13301	5.2
151.11214	6.9
157.10068	9.4
159.08023	7.2
159.11769	7.3
161.09612	9.2
161.61626	5.1
165.12778	6.0
173.13298	7.7
177.05399	7.4
189.11247	7.7
217.15843	10.6
219.13780	14.3
249.14890	7.8
273.18466	39.5
273.25650	16.9
291.19504	77.7
291.26767	8.7
309.27832	15.2
325.05273	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	309.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
63.02356	0.8
65.03922	1.1
67.05511	0.8
69.03423	2.5
69.07071	1.5
69.85780	4.0
70.31953	0.6
79.05450	0.8
81.07044	2.8
85.06526	1.2
89.03906	9.4
91.05471	5.9
92.76856	0.6
93.03381	0.8
93.07036	1.3
95.08598	2.0
97.02879	88.5
97.06474	0.6
98.03211	1.2
98.97569	0.7
101.73582	0.7
104.32496	0.6
109.10125	0.8
116.98671	0.8
117.03363	26.9
119.04919	3.4
119.52229	0.5
121.10110	0.5
123.11681	1.0
129.07021	0.8
134.03592	2.3
135.04387	1.9
145.02826	59.6
146.03137	1.3
147.01628	0.6
147.04398	11.6
149.05948	8.9
163.03889	0.7
163.69400	0.6
167.03415	1.9
177.05447	100.0
178.05769	2.9
186.05550	1.4
189.09079	1.5
190.39279	0.6
195.06549	0.8
199.07489	0.8
217.08614	1.5
227.07123	1.5
245.08052	2.3
264.91068	0.6
291.08466	1.4
309.09708	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87129	0.5
69.03400	1.4
70.29543	1.7
89.03905	7.1
91.05472	1.8
97.02880	65.2
98.03214	0.6
103.05492	1.0
117.03365	25.0
119.04916	1.6
121.50636	0.6
123.04422	0.6
124.81799	0.5
129.06972	1.6
134.03586	2.1
135.04369	1.9
145.02827	59.3
146.03214	0.8
147.04398	7.4
149.05965	8.6
167.03400	1.3
175.07526	2.3
177.05444	100.0
178.05844	2.9
186.05440	1.7
189.09045	0.8
193.05019	1.0
193.08519	1.7
195.06433	1.3
199.07512	1.0
217.08511	1.1
227.07001	0.9
229.08620	1.8
245.08095	2.1
263.09210	1.4
273.07516	1.6
277.08621	0.8
281.11835	0.6
285.87521	0.6
291.08557	1.9
309.09683	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	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58892	0.6
54.33015	0.6
55.01847	0.8
55.05496	2.5
57.03415	2.4
65.03918	0.6
65.49136	0.6
67.05494	4.0
69.03424	3.5
69.07068	3.7
70.73706	1.9
71.04959	0.9
79.05482	3.8
81.03398	2.7
81.07043	7.6
83.08581	1.4
85.02883	2.2
85.06517	1.7
89.03902	5.1
91.05025	0.7
91.05488	7.1
93.07046	3.3
95.04941	1.2
95.08601	3.8
97.02876	24.0
97.06498	0.8
97.10154	1.1
99.08083	4.3
105.06995	2.3
107.04990	0.7
107.08578	2.3
109.02895	1.2
109.06504	1.4
109.10113	2.4
115.03851	0.7
117.03361	20.3
117.04198	1.1
119.04920	11.1
119.08556	0.9
121.10131	2.3
123.11679	1.3
127.07535	1.1
131.08565	0.9
133.10112	1.1
134.03571	1.7
135.04376	1.1
137.05911	0.7
145.02824	51.2
146.03169	0.8
147.04388	45.1
147.11626	1.2
148.04799	0.7
149.05980	6.0
149.13252	1.1
159.11533	0.6
165.05426	1.3
167.03308	1.0
177.05444	100.0
178.05783	1.7
186.05527	1.0
195.06473	2.0
220.29843	0.6
235.07703	0.7
238.51852	0.6
248.79008	0.7
253.08611	0.8
273.07449	2.7
273.18500	1.1
277.08475	0.9
281.11728	0.6
291.08499	3.5
291.19342	2.9
309.09695	3.9
309.14896	0.7
309.20526	0.8
309.27792	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	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47945	0.7
62.82851	0.6
65.03939	1.3
67.05513	0.7
69.03395	2.9
70.46860	2.5
81.03405	0.9
81.07034	1.1
89.03897	8.8
91.05476	2.6
95.04959	1.8
97.02879	81.8
98.03251	1.2
106.89762	0.6
107.08649	0.8
109.02862	0.9
109.06493	0.7
117.03362	29.0
119.04945	3.7
123.04391	0.8
129.07047	0.8
131.04875	0.7
134.03619	1.8
135.04405	1.4
145.02826	57.9
146.03143	1.3
147.04399	13.9
149.04881	0.8
149.05972	8.9
149.13788	0.6
157.06364	0.7
163.03914	0.7
167.03349	2.0
177.05446	100.0
178.05856	3.0
186.05470	1.0
189.05499	0.7
189.09122	0.9
189.79234	0.6
199.26909	0.6
212.27641	0.7
217.08588	1.2
227.07251	0.8
235.13060	0.9
245.08072	2.8
273.07523	1.1
277.08661	1.1
291.08380	1.4
309.09976	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	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72406	0.6
57.03413	1.2
60.50600	0.5
61.02909	0.7
63.21861	0.5
65.03922	0.7
67.05456	0.9
69.03419	6.7
69.07040	1.5
70.79744	1.5
71.04978	0.6
79.34486	0.5
81.03400	2.5
81.07035	2.1
83.08589	0.8
85.02387	1.1
85.02892	17.9
85.03400	1.2
89.03897	5.9
91.05461	5.8
93.07043	1.3
95.08575	1.3
97.02879	46.2
98.03250	0.7
99.08054	0.6
105.07018	0.8
107.08611	0.9
109.02884	3.1
109.10152	1.3
117.03364	21.7
117.45610	0.6
118.03699	0.9
119.04934	13.9
121.10103	0.9
127.03878	1.0
129.07059	0.6
133.10043	0.6
134.03578	1.4
135.04401	1.5
135.11674	0.8
137.05930	0.7
145.02826	57.4
146.03241	0.6
147.04387	54.3
149.05977	6.5
149.13257	0.7
157.06490	0.6
159.90158	0.5
163.03955	0.7
163.14833	0.6
165.05426	2.2
171.73785	0.5
172.40117	0.5
177.05444	100.0
178.05803	2.2
186.05501	1.5
195.06445	1.3
199.07574	0.6
245.08052	0.9
249.09331	0.7
273.07550	2.3
291.08649	2.2
309.09653	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	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11354	0.6
63.02383	0.7
65.03922	0.9
69.03408	2.5
69.07042	1.3
69.63079	0.9
69.63486	3.7
71.15926	0.6
78.04703	0.7
81.03401	0.8
81.07048	1.2
85.02889	1.2
89.03904	7.5
91.05463	4.6
95.08582	1.4
97.02882	54.8
109.10134	0.7
117.03369	21.4
119.04926	12.2
134.03615	1.4
135.04398	1.5
145.02826	57.1
146.03163	1.2
147.04388	49.3
148.04710	1.1
149.02330	1.2
149.05965	7.5
149.13266	0.7
157.06516	1.1
159.20657	0.6
163.03894	1.2
165.05377	1.0
167.03355	1.2
177.05447	100.0
178.05869	1.6
186.05421	1.4
189.08777	0.8
195.06487	1.3
199.07455	0.7
218.13203	0.5
227.06967	1.2
234.06654	0.8
245.08044	1.1
245.42833	0.7
249.09064	0.9
273.07654	1.7
277.08609	2.1
291.08527	1.7
309.09479	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11818	0.6
55.01862	1.4
55.05507	3.2
57.03420	1.1
57.07064	1.3
64.87730	0.5
67.05498	5.4
69.03428	4.3
69.07066	4.7
71.01363	0.9
71.04997	0.9
71.08601	0.7
71.63534	0.9
73.18212	0.5
79.05470	3.6
81.03400	0.7
81.07045	10.1
83.04959	1.8
83.08595	1.8
85.02889	0.7
85.06523	2.4
89.03905	7.5
91.05468	4.6
93.07030	5.3
95.04969	1.2
95.08589	8.0
96.05421	0.6
97.02882	49.0
97.06512	2.5
97.10144	1.6
103.05472	0.7
105.07031	3.4
107.08554	3.4
109.06512	0.7
109.10122	4.3
111.08066	3.9
115.03880	0.6
115.05411	0.7
117.03368	25.2
117.04192	1.4
117.07021	1.4
118.03667	0.6
119.04909	2.9
119.08547	2.5
121.10114	1.5
123.08018	1.4
123.11660	1.8
125.09588	1.0
129.06989	1.1
133.10101	1.7
134.03615	1.6
135.04364	1.6
135.11653	1.3
137.05914	1.1
137.09557	0.6
145.02832	56.9
145.10117	1.9
146.03125	0.7
147.04382	12.4
147.07982	0.7
147.11656	1.3
149.05972	9.2
149.13242	1.7
151.11455	0.5
157.06479	0.8
157.10139	0.9
161.09627	0.8
161.13240	0.9
163.03903	0.9
163.11194	0.8
163.14774	0.8
167.03418	1.2
171.11562	0.8
175.07497	0.6
177.05452	100.0
178.05795	2.4
186.05450	1.6
189.09081	0.8
195.06500	1.4
217.08476	1.1
227.07124	0.8
234.06642	0.8
244.14917	0.5
245.08197	0.9
249.09074	1.0
267.06479	1.6
273.07541	1.6
273.18555	1.3
273.25504	0.9
277.08594	2.1
283.92761	0.6
291.08682	1.6
291.19519	1.6
291.26749	1.4
309.06985	1.0
309.10443	3.1
309.14688	1.3
309.27881	2.0
329.79706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02792	0.3
66.84245	0.3
69.03417	3.6
77.71064	0.3
85.02892	0.5
87.29000	0.4
89.03901	5.3
91.05460	0.6
96.77978	0.3
97.02879	17.7
98.20675	0.7
99.64770	0.4
106.04131	0.4
117.03362	20.5
118.03729	0.4
119.04926	1.1
121.06468	0.3
131.04942	0.4
134.03601	1.3
135.04422	1.1
137.05952	1.1
145.02823	52.5
146.03128	1.1
147.04388	5.0
149.05951	7.3
156.73027	0.4
163.03882	0.4
172.48984	0.4
175.07552	1.1
177.05440	100.0
178.05782	2.3
186.05518	0.9
189.05516	0.5
195.06477	2.5
209.78362	0.4
227.07056	0.7
229.08421	0.6
245.07977	0.8
273.07590	3.5
291.08621	2.4
309.09772	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
58.17323	0.6
61.90432	0.6
65.03930	0.9
67.05482	2.2
69.03416	1.5
69.07049	2.0
69.47706	0.6
69.51920	2.1
69.52355	3.0
78.04713	0.6
79.05475	2.4
81.07056	4.9
83.04957	1.3
83.08596	1.8
83.93056	0.6
89.03900	6.1
91.05467	3.8
92.81606	0.6
93.07014	2.2
95.04944	1.3
95.08588	4.8
97.02881	73.1
97.10181	0.9
98.03233	0.9
105.07004	1.6
106.04195	0.7
107.04923	1.1
107.08581	1.4
109.10134	1.8
111.08066	0.7
115.03873	0.8
115.05463	0.6
116.27732	0.8
117.03362	25.5
119.04930	2.4
119.08606	1.5
121.10106	1.1
123.11691	0.9
129.06989	0.9
133.10078	1.5
134.03609	2.6
135.04398	1.5
141.06921	0.6
145.02829	58.0
146.03191	0.7
147.04373	9.7
147.11581	0.7
149.05978	8.4
163.03896	1.1
163.07545	0.6
167.03467	1.0
177.05447	100.0
178.05853	1.4
186.05431	1.0
195.06636	0.7
199.07468	0.6
217.08641	0.7
227.07091	1.1
245.08200	1.7
255.17526	0.8
273.07510	2.2
273.18433	1.1
273.25610	0.9
277.08533	1.0
281.11414	0.9
291.08557	1.3
291.19861	0.8
291.26749	0.9
309.10370	2.3
309.14600	0.7
309.27820	1.6
334.74179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.5
56.03214	0.6
57.03422	1.3
57.07064	1.0
59.80741	0.7
65.03925	0.8
67.05182	0.7
67.05493	4.8
69.03423	7.7
69.07044	3.9
69.54822	3.0
69.55247	2.2
71.78953	0.6
79.05484	3.5
81.03397	2.8
81.03842	0.7
81.07050	7.7
82.07396	0.7
83.04947	1.1
83.08589	2.1
85.02882	2.4
85.06519	0.8
86.68636	0.7
89.03892	6.9
91.05465	7.8
93.07037	2.5
94.37376	0.7
95.04950	2.3
95.08590	5.8
97.02879	58.1
97.06512	1.5
98.03202	1.4
98.98487	0.9
103.05434	0.8
105.07027	3.6
107.04939	2.1
107.08594	3.5
109.02827	0.9
109.06509	1.4
109.10135	3.2
115.03970	1.1
117.03365	26.8
117.04196	1.4
119.04929	10.0
119.08564	2.1
120.81983	0.7
121.06476	1.1
121.10132	2.0
123.08050	1.0
123.11694	1.2
127.03887	1.2
129.06992	1.2
131.08516	1.2
133.10139	1.4
134.03596	1.8
135.04420	1.7
135.11705	1.5
145.02826	56.4
145.10158	0.9
146.03168	1.4
147.04388	47.6
147.11682	0.9
148.04790	0.9
148.32153	0.7
149.05957	8.8
149.09560	0.9
149.13208	1.2
157.06467	1.2
157.10223	0.8
163.03798	0.9
163.14845	1.0
165.05429	1.4
167.03427	0.9
171.11659	0.8
177.05444	100.0
178.05826	2.2
180.47552	0.7
186.05440	1.7
189.09105	0.9
195.06482	1.1
199.07437	0.9
217.08675	0.8
227.06874	0.8
234.06633	1.0
249.09009	1.0
267.06625	0.7
271.37988	0.7
273.07602	1.9
273.18478	2.4
277.08615	2.1
279.06470	0.8
281.11453	0.9
291.08627	2.3
291.19363	3.5
309.11005	3.5
309.20572	2.1
309.27911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03935	3.5
55.01864	3.2
55.05505	22.1
57.03429	3.4
57.07079	7.2
59.04994	1.9
62.49047	1.2
65.03933	2.1
67.05492	42.9
68.99783	1.6
69.03405	1.6
69.07055	34.3
69.48920	4.4
69.49352	7.2
70.88122	1.2
71.04984	4.9
71.08612	2.9
72.53247	1.3
73.06536	2.5
77.05666	1.2
77.78978	1.2
79.05479	28.7
79.87433	1.2
81.03390	2.6
81.07045	100.0
83.04974	10.6
83.08608	16.6
85.06512	8.4
91.05468	16.7
93.07028	42.0
95.04953	7.7
95.08591	94.3
97.02920	1.7
97.06519	27.6
97.10155	7.8
99.08079	6.1
103.05424	2.5
105.07019	26.8
107.08576	38.2
109.06479	7.8
109.10135	51.2
109.10889	2.6
111.08073	9.0
111.08716	1.4
111.11710	6.3
113.09622	2.0
117.07017	2.7
119.08549	23.9
121.06490	5.7
121.10112	29.5
123.04424	4.9
123.08054	6.8
123.11691	26.5
125.09617	5.0
125.13285	1.4
127.11124	1.5
131.08562	9.7
133.10107	14.9
135.07983	1.7
135.11673	24.7
137.09555	7.3
137.13235	8.4
139.11156	3.9
145.10133	12.2
147.04422	2.2
147.11671	16.3
149.05954	11.4
149.13228	18.7
151.11238	2.1
151.14838	4.0
153.12706	2.0
159.11693	8.2
161.13246	10.6
163.11188	1.5
163.14792	8.4
165.12737	4.6
165.16316	1.7
173.13264	5.8
175.14771	10.2
177.05489	4.8
177.16379	4.2
179.14291	2.1
187.14810	5.5
189.16344	7.5
191.17950	3.7
193.05020	3.0
193.15927	1.5
201.09105	1.5
201.16411	4.7
203.03427	7.7
207.17476	1.8
209.19035	2.6
215.17967	4.9
219.10104	8.4
221.80988	1.5
245.08116	6.3
245.22679	2.1
249.05452	1.7
264.07831	1.9
271.24164	15.8
275.06921	2.1
289.07742	2.7
289.10666	19.1
289.25195	24.6
292.07260	5.3
307.09323	7.4
307.26270	33.0
308.06488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03957	3.3
55.01868	3.9
55.05499	21.5
57.03416	3.2
57.07069	5.3
67.05497	33.2
69.03427	4.9
69.07057	46.0
69.99673	9.3
71.05007	4.1
71.08610	4.2
79.05486	27.9
81.03423	3.7
81.07046	100.0
83.04987	3.2
83.08611	13.3
85.06538	15.7
91.05450	14.0
93.07030	45.2
95.04957	7.9
95.08593	77.7
96.08969	2.3
97.06520	28.4
97.10162	13.6
97.10698	2.5
99.08089	6.1
104.40723	1.9
105.07014	25.4
107.08574	40.0
109.06512	7.7
109.10143	51.1
111.08060	5.5
111.11710	9.0
117.07008	5.0
117.36354	1.7
119.08563	22.2
121.06479	2.9
121.10133	31.5
123.04403	4.0
123.08051	5.3
123.11691	21.3
125.09623	6.7
125.13238	2.7
127.11156	3.0
131.08563	5.3
133.10115	15.0
135.08051	5.4
135.11665	20.5
137.08501	1.7
137.09601	8.6
137.13239	6.7
139.11147	6.0
145.10077	8.6
147.11665	15.7
149.13226	21.6
151.11209	3.3
151.14825	4.3
159.11714	9.7
161.13255	16.1
163.11198	2.5
163.14796	13.3
165.12743	6.0
173.13234	3.9
175.14798	9.5
177.05470	2.1
177.16357	2.6
179.14351	3.6
187.14804	3.9
189.16386	5.3
191.17883	3.7
201.16408	4.2
203.03310	7.1
206.19327	1.9
215.17877	8.9
219.10175	5.6
229.19756	2.4
233.19028	2.9
245.08083	6.5
271.24216	16.6
289.10718	19.3
289.17831	2.9
289.25223	28.8
292.07022	3.0
307.09607	5.6
307.26233	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	307.2626
Annotation	Crinitol
Peak:m/z	Relative Intensity
50.51794	2.2
50.86752	2.6
52.83731	2.1
55.01863	28.5
55.05285	2.3
55.05505	24.2
57.03425	4.4
57.07065	10.9
60.22000	2.1
67.01849	2.3
67.05499	47.0
69.07056	56.3
69.45942	16.4
69.46351	5.8
71.04986	4.2
71.08575	2.4
73.06544	2.1
79.05481	31.7
81.07046	100.0
83.08611	17.0
83.12707	2.1
85.06530	12.4
91.05455	20.7
93.07028	45.4
95.04957	8.5
95.08591	91.0
97.02874	8.0
97.06516	26.0
97.10152	10.4
99.08060	6.9
100.28103	2.2
105.07018	29.2
107.04963	2.5
107.08578	42.3
109.10139	52.2
111.08057	9.3
111.11723	12.8
113.09651	4.4
115.03926	3.7
119.08554	27.6
121.06485	3.0
121.10136	32.9
123.04398	4.6
123.08025	5.3
123.11683	24.6
131.08556	5.9
133.06575	3.0
133.10129	18.4
135.08090	3.1
135.11682	34.8
137.09590	7.9
137.13249	9.3
139.11177	8.0
145.10110	13.3
147.11673	16.4
149.13243	19.7
151.11151	2.8
151.14821	3.2
154.00060	2.5
159.11662	10.1
161.13248	14.8
163.11188	4.6
163.14806	13.0
165.12711	5.3
173.13254	4.2
175.07497	3.0
175.14809	12.2
177.05467	5.2
177.16386	6.9
179.14334	2.6
179.17935	3.7
187.14789	5.0
189.05370	2.9
189.16342	6.9
190.06219	3.1
191.06970	3.4
191.17914	2.9
192.07881	2.8
193.05052	2.6
201.16396	4.6
203.03424	6.3
203.06976	4.9
204.07852	6.4
205.04849	4.6
205.08609	5.6
215.06990	4.4
215.17937	7.2
218.09364	3.4
219.10126	7.8
219.17422	2.4
220.23260	2.5
231.06499	9.7
245.08081	3.9
245.22661	3.3
246.08922	4.8
247.09477	2.8
257.07813	2.3
259.05972	5.5
261.06070	2.1
261.11243	11.0
271.24182	19.1
274.08319	21.6
275.08490	2.6
276.16129	2.1
289.07449	4.8
289.10675	99.1
289.25229	39.6
290.10956	9.6
300.30353	2.4
307.08209	6.2
307.11667	11.4
307.26239	52.6
308.26709	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.9
53.03939	16.2
55.01865	27.0
55.05238	3.7
55.05501	64.6
56.05802	2.1
57.03425	26.1
57.07051	3.1
65.03915	6.6
67.05493	78.5
69.03411	13.3
69.06695	1.9
69.07059	30.9
70.64698	6.9
71.02518	1.8
71.04977	8.4
73.06549	2.5
79.05480	77.8
80.05816	1.9
81.03400	24.9
81.07041	95.0
82.07362	2.1
83.04451	2.0
83.04967	42.1
83.08607	32.3
85.06513	5.2
91.05463	62.0
93.07029	65.5
95.01274	2.3
95.04954	29.6
95.08591	47.5
96.08964	2.1
97.06522	30.3
97.10146	22.5
99.04451	3.2
99.08063	2.3
103.05432	6.5
105.07014	53.4
107.04937	43.0
107.08575	75.4
109.02869	2.3
109.06502	26.5
109.10143	22.4
111.04419	27.4
111.08051	9.4
113.06003	3.1
115.05434	5.3
117.07001	25.6
119.08561	43.4
120.08852	1.9
121.02821	1.8
121.06481	25.4
121.10117	26.3
123.04391	6.0
123.08046	15.0
123.11682	7.9
125.05965	3.8
125.09614	28.7
128.06239	3.5
129.06949	9.9
131.04903	16.8
131.08539	27.8
133.06509	9.4
133.10109	30.2
135.08037	25.1
135.11642	18.4
137.05920	3.9
137.09607	10.3
139.07466	2.5
139.11205	2.8
141.06973	5.4
143.08557	6.8
145.06461	6.3
145.10101	26.7
147.08043	7.8
147.11636	21.8
149.05960	5.2
149.09599	29.6
149.13193	9.9
149.98756	1.6
150.09836	1.8
151.07547	5.3
151.10083	1.9
151.11128	11.3
153.05540	2.1
153.09052	7.1
155.08511	4.6
157.10056	5.1
157.12196	2.2
159.08006	8.3
159.11652	20.3
161.09573	6.7
161.13263	8.8
163.07521	20.3
163.11145	19.2
163.14806	3.2
165.09087	7.1
165.12717	5.2
169.10114	6.2
171.10306	1.8
171.11652	7.9
173.09612	7.7
173.13200	12.4
175.11172	5.3
175.14764	2.6
177.09038	5.7
177.12679	17.1
179.06950	3.6
179.10570	1.7
179.14307	2.3
183.11737	4.2
187.11191	9.6
187.14725	4.1
189.12743	3.1
191.10681	2.6
191.14339	3.6
193.12206	2.5
195.13786	3.0
197.13206	4.5
201.12712	4.2
201.16328	1.7
203.12723	14.9
205.12141	3.3
205.15869	4.2
207.13765	1.9
211.14665	2.2
215.14220	5.1
215.17876	3.6
219.13829	10.1
223.13295	2.2
229.15884	1.8
229.19452	7.5
233.15317	14.5
237.14793	2.9
239.17998	5.3
241.14336	6.1
243.17348	5.3
247.20587	9.5
253.15791	4.3
257.18964	18.7
261.18472	9.6
271.16846	10.2
275.19995	100.0
276.20328	3.9
289.17960	78.4
289.21524	7.6
290.18323	5.2
307.09610	2.4
307.18961	28.0
307.22635	28.5
308.19229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	1.4
55.01856	3.7
55.05242	1.2
55.05505	23.0
57.03411	2.4
57.07061	3.6
59.04988	4.4
65.03928	2.2
67.05491	30.0
69.03425	1.6
69.06696	1.0
69.07058	16.7
69.69585	7.3
71.04987	10.5
71.08598	1.0
73.06532	3.3
79.05481	31.3
81.03407	1.5
81.07041	39.4
82.07384	1.0
83.04945	2.9
83.08605	9.7
85.06511	3.8
86.92712	0.9
87.04441	1.8
87.08092	2.0
91.05465	39.0
92.82618	0.8
93.07032	38.3
94.04163	1.0
95.01309	0.9
95.04957	8.7
95.08592	29.8
96.08900	0.9
97.06509	11.6
97.10175	5.8
98.98474	1.0
99.08058	2.0
100.07650	0.8
105.07015	47.3
106.07313	0.8
107.04929	3.0
107.08575	27.0
109.05744	1.2
109.06496	23.4
109.10141	17.0
110.07316	1.4
111.08057	5.4
115.86116	0.9
117.07006	14.5
119.08563	34.3
121.02837	3.3
121.06480	9.0
121.10132	17.7
123.08044	12.6
123.11691	5.3
125.09634	4.5
127.07505	0.9
129.06998	3.8
130.07819	1.2
131.08545	16.3
133.06461	1.1
133.10107	23.7
135.08022	9.7
135.11673	9.0
136.08792	1.0
137.09589	16.2
137.13286	1.0
139.11171	1.4
141.06964	1.4
143.08521	3.4
145.06471	1.2
145.10112	12.4
147.07990	2.3
147.11662	21.3
148.12013	1.2
149.05930	1.3
149.09595	14.4
149.13228	3.5
151.11162	19.7
155.08542	3.8
157.10085	3.8
158.14880	0.8
159.08058	2.1
159.11676	9.2
161.09621	1.3
161.13269	5.3
163.07564	1.4
163.11153	12.3
163.14854	0.9
165.09050	1.0
165.12746	11.7
169.10110	3.3
171.11626	3.1
173.13277	6.1
175.11147	1.6
175.14897	1.0
177.12698	4.3
179.14325	4.2
183.11661	3.2
185.13275	1.5
187.11153	1.3
187.14774	3.3
189.12750	1.7
189.16341	1.2
191.14264	2.0
197.13232	4.3
201.12749	1.7
201.16367	1.1
205.15880	1.3
215.14290	1.1
215.17827	1.4
219.13770	1.2
229.12209	1.4
229.19458	6.7
233.15372	2.6
233.18846	1.1
237.14955	1.2
239.17981	9.2
247.20599	6.3
249.18562	2.8
257.18985	11.8
265.18057	1.5
271.17032	1.2
275.20020	50.6
276.20300	3.4
277.21353	1.2
289.17987	3.7
289.21655	1.7
289.25201	2.3
292.07358	1.3
307.10287	4.4
307.19504	3.5
307.22629	100.0
307.26239	28.7
308.23172	4.3
308.26221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46198	4.7
53.03937	6.7
55.01855	14.1
55.05503	39.5
57.03421	5.8
57.07059	8.5
59.35379	4.3
65.43819	4.6
67.05499	100.0
69.03397	7.4
69.07057	24.5
69.41241	42.8
69.41644	10.1
71.04931	4.2
75.45541	4.1
79.05486	55.3
81.03392	19.7
81.06605	7.6
81.07051	82.0
83.04954	14.9
83.08603	15.8
85.06531	7.7
85.38009	4.2
91.05473	61.9
93.07028	49.8
94.63922	4.5
95.04966	24.5
95.08612	57.3
97.06514	12.5
97.10152	8.7
105.07021	69.5
107.04919	10.8
107.08601	31.8
109.06499	12.8
109.10162	39.7
111.08042	8.2
117.07010	20.3
119.08548	44.6
121.06464	8.6
121.08203	5.3
121.10133	26.7
123.08046	16.4
123.11710	9.8
125.09637	12.5
127.11355	5.8
131.08534	26.6
133.10141	49.0
135.08073	6.6
135.11694	13.2
137.09587	32.2
145.10100	17.7
147.11638	25.3
149.09587	19.5
151.11092	12.0
155.08569	5.9
159.11638	14.3
161.13228	7.1
163.11189	10.2
165.08971	5.5
169.10091	6.3
173.13248	12.3
185.15248	4.9
197.13251	8.7
239.17833	5.8
247.20525	16.8
257.18948	12.7
275.20016	89.5
281.69910	4.6
289.21735	5.1
307.22681	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.4
55.01637	3.3
55.01868	32.9
55.05249	3.5
55.05506	58.6
57.03430	17.2
57.07059	5.5
58.05611	2.5
59.04978	2.8
65.03918	4.8
67.05496	81.2
69.03418	8.9
69.07065	27.7
69.64189	16.5
71.04980	10.3
73.06544	5.1
79.05035	5.0
79.05484	82.5
81.03407	23.6
81.07047	88.7
81.10537	2.4
83.04980	29.8
83.08602	31.5
85.06528	7.0
91.05469	63.4
93.06444	3.8
93.07036	71.0
95.04947	30.1
95.08597	49.9
97.06521	32.3
97.10165	23.5
100.97916	2.2
103.05450	3.2
105.07018	53.9
107.04939	40.0
107.08576	70.0
109.06511	35.4
109.10162	24.2
111.04441	17.0
111.08076	8.7
113.06032	3.1
115.05441	2.9
117.07018	28.3
119.04888	3.5
119.08575	34.9
121.06491	29.4
121.10133	23.7
123.04427	4.5
123.08060	13.7
123.11691	6.3
125.09602	24.6
129.07010	8.5
131.04933	4.7
131.08556	27.4
133.06479	7.0
133.10118	28.0
135.08038	18.5
135.11682	14.4
137.09644	10.8
139.11127	3.6
143.08601	4.0
145.06468	4.4
145.10095	33.8
147.08035	8.9
147.11644	15.7
149.05980	3.2
149.09607	28.1
149.13263	7.2
151.07527	3.0
151.11147	11.8
153.09090	5.6
155.08502	5.7
157.10091	7.7
159.08037	7.1
159.11635	19.8
161.09633	6.2
161.13231	7.8
163.07510	26.3
163.11194	19.9
163.14775	2.5
165.09100	10.1
165.12759	4.7
169.10114	8.5
171.10245	2.7
171.11690	5.8
173.09578	4.7
173.13257	12.2
175.11220	7.1
177.09106	4.3
177.12718	7.2
179.10558	3.0
183.11641	3.5
187.11185	5.6
187.14801	5.1
189.12755	2.9
191.10699	4.6
191.14272	4.7
193.12155	2.7
197.13322	5.2
201.12778	5.8
203.12729	12.3
205.12299	5.3
215.14398	3.1
215.17998	2.8
219.13805	20.5
227.77994	2.3
229.19501	8.0
233.15428	7.9
237.14758	5.4
239.17958	6.9
247.20567	11.7
257.18991	15.3
261.18500	9.4
271.16861	8.2
275.20041	100.0
276.20389	4.9
289.17966	58.3
289.21274	5.7
290.18347	3.7
307.10645	2.6
307.19040	29.7
307.22678	31.6
307.26251	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	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.74113	1.3
53.03924	2.2
55.01856	5.0
55.05280	1.6
55.05506	19.1
57.02225	1.2
57.03430	1.6
57.07044	3.0
62.18637	1.1
67.05492	32.3
68.19033	1.1
69.03422	2.1
69.07059	24.3
69.34025	13.6
71.04961	2.0
79.05479	23.0
81.03418	1.6
81.07045	35.1
83.04955	8.7
83.08591	7.2
85.06522	3.7
91.04926	2.3
91.05460	25.3
93.07029	27.7
95.04951	13.0
95.08585	24.2
97.06512	5.1
97.10135	2.2
105.07010	33.1
107.04921	9.6
107.08572	19.0
109.06502	11.3
109.10124	10.8
111.08080	2.1
117.06996	7.4
119.08561	15.8
119.55303	1.0
121.06480	12.5
121.10123	13.1
123.08035	6.3
123.11681	5.5
125.09621	2.5
129.06966	2.4
131.08554	19.1
133.06439	3.5
133.09152	2.2
133.10092	19.7
133.11024	1.7
135.08044	4.8
135.11668	5.0
137.06004	1.6
137.09607	4.2
143.08562	3.2
145.06516	1.5
145.10107	15.7
147.08034	3.9
147.11658	14.1
149.09595	5.9
149.13223	3.4
150.97684	1.2
151.11159	8.6
155.08591	1.2
157.10123	3.8
159.08031	1.7
159.11673	8.1
161.09641	2.9
161.13260	3.8
163.11118	7.8
163.14700	1.3
165.09062	1.1
169.10042	2.2
171.11711	3.5
173.09627	3.1
173.13228	8.3
175.11192	2.0
177.12735	2.3
179.98909	1.3
183.11673	3.6
186.16083	1.7
187.11166	2.1
191.14310	3.3
197.13254	2.2
201.12773	3.5
207.13788	3.7
215.14285	1.8
215.17876	2.0
219.13826	6.3
229.19481	2.9
233.15515	1.9
239.17935	4.2
247.20546	5.3
249.18507	1.5
257.18954	14.6
275.20026	100.0
276.20309	7.1
289.21671	4.2
307.22668	43.0
308.23068	3.4
308.29437	5.8
316.17792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03922	4.3
55.01863	24.8
55.05281	3.1
55.05507	39.5
57.03430	13.6
57.07061	8.9
65.03924	3.8
67.05495	51.6
69.03421	6.3
69.07057	29.1
71.04975	5.7
71.08610	4.8
79.05485	62.0
81.03407	4.3
81.04307	2.7
81.07046	64.6
83.04961	10.1
83.08602	15.2
85.06519	5.4
91.05470	50.3
93.07031	57.4
95.04969	29.7
95.08595	42.6
97.06523	31.6
97.10164	22.9
99.08091	6.5
105.07017	43.6
107.04934	14.1
107.08576	70.9
109.06508	49.2
109.10151	15.7
110.35020	2.8
110.63548	2.7
111.08063	3.9
111.13184	2.6
117.07006	17.3
119.08579	34.2
121.06485	12.2
121.10129	24.9
123.08056	9.7
123.11694	4.6
125.09627	20.8
129.06975	5.5
131.08591	19.7
133.10117	28.0
135.08034	13.6
135.11678	8.5
137.05930	4.2
137.09602	10.2
139.11084	4.1
141.06943	3.7
143.08525	6.1
145.10101	20.2
147.11670	17.9
149.09579	32.1
149.13193	4.9
151.11194	10.0
153.09079	4.0
157.10086	7.3
159.11716	20.2
161.13249	9.2
163.11153	14.2
163.14804	3.2
165.09088	4.5
165.12738	99.6
169.10165	3.4
171.11581	3.6
173.09624	2.6
173.13242	10.8
175.11148	2.8
175.14778	4.6
177.12770	8.1
179.14333	3.5
183.11617	5.0
185.13231	7.2
191.14378	6.5
197.13216	5.4
201.16478	3.4
203.12785	11.9
203.14456	4.7
219.17485	14.2
229.19431	6.4
235.16879	2.9
239.18042	5.8
247.20529	7.4
251.16438	6.9
257.18936	12.7
261.22073	4.3
275.20023	100.0
275.23050	4.8
276.20288	6.0
289.21567	37.0
307.19299	5.8
307.22653	91.8
307.28293	8.6
308.22919	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15417	1.3
52.94939	1.2
52.95218	1.1
53.03933	3.5
55.01867	12.9
55.05504	30.0
57.02168	1.3
57.03429	1.9
57.07077	1.2
65.03925	1.6
67.05492	26.4
69.03400	1.6
69.07056	12.0
69.41389	4.8
69.41809	7.4
71.05004	1.8
71.60932	1.2
79.05022	3.1
79.05483	50.0
81.03401	2.2
81.07050	24.4
83.04974	4.6
83.08604	13.5
85.06523	2.2
91.05473	28.1
93.07036	27.0
95.04977	5.6
95.08591	14.9
96.98507	1.6
97.06532	9.8
97.10159	23.4
105.07018	27.6
107.04957	14.4
107.08580	100.0
108.08932	2.1
109.06525	6.7
109.10147	9.5
111.08056	3.6
117.07004	6.2
119.07266	1.5
119.08559	15.9
121.06481	3.6
121.10134	8.6
123.08038	1.4
125.09615	34.4
129.06978	1.4
131.08562	11.5
133.10107	17.4
135.08009	9.9
135.11690	5.7
137.09598	2.6
143.08568	2.2
143.28790	1.3
145.10086	14.4
147.07979	1.9
147.11716	10.3
149.09595	22.9
151.11147	3.1
153.09096	7.6
157.10182	1.6
157.12238	4.0
159.11659	8.5
161.13239	3.5
163.11147	3.1
165.09016	1.4
169.10081	1.3
171.11678	3.2
173.11705	2.6
173.13271	4.2
181.12140	1.9
187.11134	1.6
197.13188	1.5
203.12738	25.2
213.48526	1.3
229.19531	3.2
233.15340	2.7
239.17978	5.9
244.44252	1.3
247.20535	1.9
254.54457	1.5
257.18994	11.5
275.20035	59.7
275.23062	2.9
276.20398	3.1
289.21597	10.7
307.22617	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	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03926	6.1
55.01868	13.1
55.05505	34.3
57.03423	4.3
57.07058	2.6
65.03931	4.9
67.05494	72.6
69.03416	2.6
69.07053	27.5
71.04977	5.8
79.05479	58.1
79.81735	1.9
81.03396	5.9
81.07043	100.0
83.04976	8.3
83.08600	13.3
84.74589	1.8
85.06530	7.0
91.05463	54.8
93.07030	50.1
95.04951	30.6
95.08588	49.7
97.06525	18.3
97.10125	4.8
105.07011	57.9
107.04936	10.7
107.08581	34.5
109.06507	23.3
109.10145	29.8
111.08058	5.4
115.05441	2.9
117.07002	15.8
119.08566	48.2
121.06490	6.9
121.10123	23.5
121.88998	2.0
123.08041	15.0
123.11678	9.8
125.09579	5.3
129.07042	6.1
131.08562	23.3
133.06499	2.8
133.10101	40.7
135.08022	12.2
135.11687	12.0
137.09596	18.0
143.08525	4.9
145.10101	18.3
147.11665	17.3
149.09573	12.4
149.13243	5.3
151.11159	14.1
157.10100	4.8
159.11676	13.3
161.09605	3.1
161.13214	5.1
163.11147	10.5
165.12773	6.0
169.10132	4.7
171.11690	4.6
173.13260	9.8
175.11165	4.2
177.12646	3.8
183.11664	3.2
187.14911	2.6
191.14304	4.2
193.12218	2.2
201.12730	3.7
229.19615	4.0
239.17908	6.9
247.20561	11.4
247.59360	2.0
257.18933	14.1
275.20029	91.4
276.20413	5.2
289.21637	8.9
307.22604	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01863	12.5
55.05502	30.7
57.03440	5.9
57.07066	3.1
65.03928	4.8
67.05495	61.2
69.03430	3.5
69.07056	27.7
69.11910	2.3
69.37798	25.3
69.38138	2.8
71.04978	4.7
79.05482	44.4
81.03391	5.5
81.07046	88.0
83.04977	7.0
83.08612	16.5
85.06546	4.8
91.05470	37.1
93.07033	37.8
95.04952	36.8
95.08589	39.6
97.06519	16.2
97.10165	6.0
97.69468	2.5
104.82353	2.6
105.07020	50.4
107.04935	10.4
107.08587	34.8
109.06499	22.2
109.10139	23.8
111.08049	6.0
117.07008	12.4
119.08562	42.3
120.08958	2.9
121.06498	6.7
121.10118	20.5
123.08064	22.4
123.11697	5.9
125.09629	8.3
131.08543	24.7
133.10118	35.3
135.08022	7.7
135.11691	11.6
135.13293	2.3
137.09624	11.7
143.08554	3.1
145.10117	17.8
147.11646	20.7
149.09579	13.8
149.13237	4.7
151.11133	7.0
157.10141	4.8
159.11696	13.6
161.13269	9.9
163.11143	9.0
165.12737	4.8
171.11722	3.8
173.13275	9.6
175.11171	5.8
177.12750	4.4
183.11613	3.7
187.14857	3.4
197.13336	3.8
201.12769	4.9
229.19498	6.6
239.17853	6.2
247.20552	12.3
251.16309	2.2
257.18918	16.4
275.20026	100.0
276.20395	6.9
289.21521	12.3
307.22678	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57928	1.9
53.03935	5.1
55.01866	25.9
55.05506	31.8
57.03415	2.6
57.07065	3.8
65.03943	2.4
66.00105	1.8
67.05497	44.0
69.03407	3.1
69.07060	24.5
70.51289	9.1
71.04978	3.8
71.49793	1.9
79.05482	51.3
81.03419	8.8
81.07041	57.7
83.04969	8.9
83.08605	12.2
84.63698	2.2
85.06542	3.3
87.04489	2.1
91.05460	32.2
93.07035	48.2
94.91393	2.1
95.04942	16.1
95.08589	32.5
96.08949	2.2
97.06514	38.4
97.10152	19.9
101.05994	2.8
101.88388	2.4
102.44468	1.9
105.07011	45.0
107.04953	16.3
107.08577	71.4
109.06505	14.9
109.10138	19.1
111.08062	4.4
112.39322	1.7
117.07003	11.5
119.08561	24.2
121.02834	4.6
121.06512	10.6
121.10118	19.6
123.08036	10.7
123.11697	3.8
125.09612	18.1
129.06996	6.5
131.08545	16.8
133.10094	28.1
135.08034	13.3
135.11676	10.7
137.05954	13.8
137.09619	6.6
137.13252	2.3
138.06310	9.0
141.06946	3.9
142.07756	2.0
143.08582	5.6
145.06535	3.1
145.10130	17.1
147.08028	2.4
147.11670	17.4
149.09604	27.1
149.13272	5.0
151.11172	7.0
153.09082	3.6
157.10100	6.7
159.11662	15.2
161.09657	3.2
161.13271	8.2
163.11163	8.0
165.09044	4.1
165.12741	3.6
169.10085	5.0
171.11661	4.8
173.13208	12.5
175.11118	2.1
175.14886	2.2
177.12766	6.9
177.33426	1.9
179.14432	3.5
181.10141	2.9
183.11595	3.3
187.11203	5.6
187.14861	2.7
195.11752	2.2
197.13242	2.4
201.12708	3.8
203.12714	10.4
219.17378	2.3
222.14101	2.2
223.14845	2.2
229.19446	6.0
239.17941	9.1
247.18207	2.2
247.20586	8.7
249.16460	4.0
251.14284	2.5
257.18967	16.6
275.20026	100.0
276.20435	2.3
289.18051	5.8
289.21677	6.1
307.19763	4.9
307.23114	25.0
320.94708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.205
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
52.46593	1.9
53.03923	2.8
53.33467	1.8
55.01845	3.9
55.05494	8.8
57.03428	4.3
65.03932	2.4
67.05494	16.3
69.03413	5.2
69.07068	10.3
71.04954	2.5
71.63605	3.4
79.05472	18.6
81.03395	2.5
81.07045	22.1
81.71646	1.8
83.04956	5.4
83.08596	2.4
85.06487	1.8
91.05452	24.2
93.06516	2.4
93.07021	15.5
95.04957	22.8
95.08595	12.8
97.06514	16.6
97.10139	3.3
105.07013	34.5
107.04914	3.6
107.08582	11.0
109.06481	8.9
109.10149	4.8
111.68796	1.8
115.05415	3.8
117.07002	9.3
119.08553	36.6
121.06496	7.1
121.10126	9.0
123.08037	2.6
128.06219	9.6
129.06970	14.2
130.07755	7.5
131.08557	17.5
133.06573	1.8
133.09172	3.8
133.10106	48.6
135.08060	2.8
135.11671	2.2
141.06950	9.2
142.07756	13.3
143.08540	32.4
144.09311	3.9
145.06483	5.1
145.10112	25.7
147.07999	8.0
147.11652	6.2
149.09579	5.4
153.07013	3.0
154.07761	5.9
155.08542	11.8
156.09344	9.1
157.10097	26.8
158.10826	5.2
159.08047	4.7
159.11658	19.5
161.09599	7.7
163.11195	3.3
165.06989	4.2
166.07732	3.4
167.08478	11.3
168.09273	2.8
169.10118	21.7
170.10843	4.7
171.11670	16.7
173.09627	3.1
173.13211	13.6
179.08524	7.7
180.09424	3.4
181.10062	11.4
182.10898	14.4
183.11694	15.6
184.12373	3.5
185.13330	5.6
187.11192	6.0
192.09303	4.3
193.10088	10.2
194.10909	9.3
195.11685	13.9
196.12424	5.8
197.13197	17.1
198.13991	4.0
199.11168	2.3
199.14787	6.3
201.69203	1.9
203.08707	2.3
205.10089	5.2
206.10889	8.1
207.11674	18.0
208.12360	6.5
209.13216	15.0
211.14828	10.0
217.10124	2.6
218.10858	4.6
219.11652	8.8
220.12471	9.2
221.13184	17.3
222.13957	4.0
223.14767	14.7
224.15520	2.8
225.16594	2.2
229.10049	4.1
231.11717	4.8
232.12489	6.8
233.13274	12.4
234.13924	6.4
235.07503	3.2
235.14789	5.5
237.12822	3.0
237.16412	8.7
239.18088	2.6
244.12364	3.4
245.13243	4.4
246.14058	3.6
247.14758	7.3
248.15515	6.1
249.16447	10.3
251.14238	9.3
251.17964	4.8
259.14758	7.6
260.15488	2.1
261.16464	3.0
263.17950	19.8
265.15768	3.8
265.19653	2.6
274.17087	6.1
275.19946	4.4
279.21017	7.5
289.19653	17.9
307.20517	100.0
308.20834	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.8
55.01864	48.3
55.05503	40.6
56.16422	3.3
57.03420	5.1
59.04983	5.1
67.05496	71.5
69.07055	48.9
69.28084	35.1
69.28498	8.8
71.04964	4.9
79.05475	58.4
81.03400	32.2
81.07042	100.0
83.04961	14.6
83.08602	14.5
85.06523	8.3
91.05462	54.9
93.07027	65.0
95.04967	23.8
95.08582	56.3
97.06516	79.1
97.10132	8.8
105.07014	70.5
107.04942	24.5
107.08565	33.0
107.28211	3.9
109.06501	13.1
109.10145	20.3
111.08070	8.0
117.07014	21.9
119.08564	29.9
121.06490	9.8
121.10121	18.1
123.08068	11.0
123.11702	6.6
125.09611	14.4
129.07004	6.8
131.08545	31.8
133.10100	38.1
135.08032	13.6
135.11653	20.3
138.06245	6.0
145.06473	3.8
145.10077	19.7
147.11673	18.7
149.09596	22.1
149.13275	8.4
151.11189	8.0
153.09143	6.7
157.10184	5.1
159.11714	24.3
161.13261	5.8
163.11168	11.9
169.10085	7.5
171.11685	4.6
177.12738	17.9
179.14296	13.0
183.11702	6.6
187.11176	7.4
203.12788	4.8
205.12183	4.1
239.17937	4.2
257.19009	11.2
275.20026	90.3
276.20392	5.8
307.19360	6.5
307.22702	88.1
307.26251	8.7
308.22968	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Corrin
Peak:m/z	Relative Intensity
50.48869	3.5
52.43571	4.0
52.90223	3.3
53.03933	5.6
53.10208	3.9
53.91855	3.7
55.01858	32.0
55.05506	35.7
57.03428	49.8
57.07069	4.3
67.05201	5.5
67.05499	69.2
68.65399	3.5
69.07057	30.7
71.04970	6.9
72.17686	4.1
73.06533	15.0
79.05478	69.5
81.03396	8.0
81.06603	7.4
81.07043	69.6
83.04965	42.8
83.08593	17.7
85.06506	5.9
91.05466	68.2
93.07033	57.0
95.04958	23.6
95.08595	45.4
96.08998	3.6
97.06513	31.3
97.10145	22.2
98.20609	5.9
99.04426	3.7
99.08018	4.3
103.05419	4.0
105.07024	47.1
107.04933	47.4
107.08575	69.9
109.06504	32.4
109.10151	19.0
111.04453	25.5
111.08073	7.2
115.05423	16.2
117.06998	77.1
119.08580	41.7
121.06484	19.3
121.10117	27.7
123.08051	18.3
123.11681	6.2
125.09606	19.1
128.06187	5.2
129.06972	11.0
131.08559	25.7
132.66489	4.1
133.06444	5.6
133.10101	39.3
135.08034	17.0
135.10693	4.5
135.11630	19.0
137.05951	43.2
137.09583	15.9
138.06287	37.3
141.07010	4.8
143.08527	8.7
145.06438	10.3
145.10118	28.8
147.08008	9.7
147.11629	20.1
149.05975	5.8
149.09567	22.7
149.13246	6.5
151.07506	6.3
151.11140	9.1
155.08537	4.3
157.10109	6.5
159.08014	10.3
159.11647	17.4
161.09616	8.0
161.13274	6.5
163.11124	21.5
165.09157	7.2
165.12758	5.1
166.13028	9.6
169.10129	9.7
171.11699	7.1
173.13205	9.0
175.11255	8.6
177.12711	14.0
183.11633	5.9
187.11142	6.4
187.14836	8.9
197.13147	7.5
201.12599	5.2
203.06963	4.8
203.12701	7.8
205.15836	12.1
215.14322	8.2
233.15352	15.6
243.17346	6.9
247.20583	11.7
257.19028	15.1
261.18497	12.6
271.16846	20.2
275.20038	100.0
285.72311	4.1
289.17938	36.4
289.21307	8.9
290.21814	6.9
300.76947	3.9
307.10461	5.5
307.13501	5.7
307.19431	5.6
307.22540	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03926	11.1
55.01853	8.7
55.05499	37.8
57.03432	21.1
57.07062	3.5
65.03931	3.3
67.05490	47.9
68.99763	3.0
69.03400	8.3
69.07056	25.4
69.74813	18.4
69.90331	2.2
71.04961	5.5
79.05473	48.6
81.03403	14.9
81.07040	78.9
83.04981	14.5
83.08597	14.7
85.02884	4.5
85.06519	4.4
91.04930	4.4
91.05468	69.5
93.07028	100.0
95.04962	33.4
95.08591	68.1
97.02805	3.0
97.06502	10.8
97.10157	15.4
99.04410	3.5
103.03899	5.7
103.05452	15.0
105.04508	3.1
105.07016	38.3
107.04945	23.4
107.08571	28.7
108.36913	2.3
109.02874	4.2
109.06505	14.1
109.10126	35.3
111.08049	10.4
111.11732	4.6
115.05402	4.3
117.07008	19.0
119.08568	23.1
120.05451	2.5
121.02838	42.8
121.06488	72.9
121.10110	18.9
123.04407	5.0
123.08067	6.7
123.11656	11.1
125.09590	10.6
127.03943	6.1
128.06183	3.7
129.06972	7.6
129.08965	2.4
131.04887	7.3
131.08548	20.4
133.06468	15.4
133.10068	13.2
135.04370	5.1
135.07999	22.0
135.11667	7.4
137.06023	4.1
137.09604	14.0
137.13297	3.0
139.07539	3.2
140.74535	3.0
141.06937	3.6
143.08521	5.8
145.06474	3.7
145.10094	10.5
147.08026	8.5
147.11705	5.5
149.05986	8.1
149.09593	12.8
151.07500	5.8
151.11125	3.1
151.14818	3.8
153.09105	3.8
155.08467	3.8
155.10736	2.5
157.10101	5.6
159.08052	11.8
159.11658	8.0
161.09615	6.6
163.07524	34.9
163.11171	5.1
167.10663	8.0
169.10040	4.2
171.11673	4.8
173.09619	7.0
177.09082	5.7
183.11673	3.1
187.11148	6.3
187.14827	3.8
189.11215	7.7
191.10558	5.4
195.10092	3.9
215.14305	3.4
217.12199	5.4
219.13788	3.1
233.15366	10.1
243.17424	4.5
253.15854	4.7
261.18481	12.6
271.16904	13.7
271.24051	2.5
289.17929	81.7
289.24930	6.7
290.18265	3.3
307.10138	3.1
307.13245	7.2
307.18903	29.5
307.26273	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	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03935	4.7
55.01858	11.9
55.05502	52.4
57.03429	45.7
59.50103	3.7
64.12424	3.6
67.05499	39.0
69.03423	6.9
69.07048	7.6
70.57687	13.8
79.05480	44.3
81.07043	30.0
83.04977	8.4
83.08620	20.0
86.82079	4.0
91.05460	32.0
93.07030	25.9
95.04935	8.6
95.08594	13.2
97.10152	35.3
98.86951	4.5
105.07021	21.6
107.04934	20.5
107.08572	36.4
109.06498	12.1
109.10146	17.1
117.07019	20.1
119.08569	22.6
121.06483	13.1
121.10123	5.3
125.09608	34.6
131.08591	6.4
135.08003	24.9
137.09595	7.3
143.08481	7.9
145.06470	6.2
145.10065	7.5
147.08067	11.7
153.09102	8.8
157.10155	4.9
159.08026	48.8
160.08788	3.9
160.63350	4.0
163.07487	11.4
171.11670	5.2
173.09544	7.7
183.11731	6.3
185.09627	8.7
187.14796	11.5
189.11212	15.8
213.52718	4.2
215.14272	9.5
225.12445	4.2
233.15363	17.8
243.17358	7.7
247.04214	4.7
253.15930	6.4
261.18268	5.3
271.16919	30.0
289.17938	100.0
307.20364	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95776	0.7
55.01880	0.8
55.05516	0.8
56.05025	2.6
57.03391	0.6
58.06588	4.4
61.01149	1.2
65.99146	0.6
67.05502	0.8
69.03425	0.9
70.06596	1.2
71.33595	1.4
81.07049	1.4
84.04496	26.4
84.05001	1.3
84.08133	100.0
85.02881	1.0
85.08442	0.8
86.06062	7.5
86.09698	7.0
88.03994	3.6
93.07014	0.6
97.02875	0.8
98.09691	0.7
98.98478	1.0
105.07012	1.3
107.04932	0.8
108.04415	0.7
112.26773	0.7
117.07036	0.9
123.04443	1.2
127.03925	0.9
129.07068	0.7
130.06505	5.4
130.08665	2.0
131.04955	0.7
131.08543	1.1
132.04491	1.2
132.08426	3.8
133.06479	1.3
135.08061	0.8
139.03954	0.7
141.13850	7.9
144.10149	1.6
146.06013	1.9
147.04390	1.5
149.05989	0.8
150.96909	1.0
151.07555	0.8
155.01042	0.9
157.07600	4.6
158.06027	5.8
161.05963	1.9
163.03888	0.9
169.13347	10.6
173.05902	1.1
175.08704	2.9
177.05484	0.8
189.05530	2.6
191.03380	1.0
201.05608	1.1
201.12756	1.3
215.13890	42.4
216.14194	1.0
229.12183	0.7
239.00084	0.8
243.17021	43.7
244.17326	1.2
261.08884	1.8
261.16293	0.9
262.11038	3.0
289.07544	0.8
289.11786	1.4
307.10620	3.3
307.16711	13.6
307.20132	1.0
308.17126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01854	7.2
55.05242	1.2
55.05500	20.5
57.03429	7.2
57.07060	1.2
59.04980	1.5
61.31599	0.9
67.05489	17.0
69.03407	3.2
69.07053	9.2
70.06527	1.0
70.36842	0.9
71.04968	2.1
71.61943	1.5
73.06539	0.9
74.14687	0.9
79.05477	15.9
81.03397	2.5
81.07040	19.5
83.04949	2.6
83.08604	11.6
85.06510	1.3
91.05466	17.0
92.05757	0.9
93.07031	9.8
95.04944	8.3
95.08592	11.1
96.89449	1.0
97.05957	1.3
97.06525	13.6
97.10158	13.2
99.08068	1.4
103.05453	2.7
105.04485	1.0
105.07001	7.9
107.04971	5.6
107.08582	10.6
109.06514	10.9
109.10151	9.2
111.04420	1.0
111.08057	2.9
111.11636	1.0
115.05382	1.8
117.06993	3.9
119.08538	5.5
121.06483	100.0
121.10136	4.6
122.06736	1.2
123.04402	2.4
123.08028	3.8
123.11642	2.5
125.05888	0.9
125.09578	6.6
129.06989	2.2
131.08517	4.3
133.06416	1.7
133.10098	3.7
135.08029	8.2
137.09601	4.7
137.13269	1.1
141.06970	1.1
143.08542	2.1
145.10106	3.6
147.08020	4.7
147.11658	1.7
149.05948	2.8
149.09587	2.9
149.13214	1.4
151.07503	1.8
152.81447	0.9
153.09088	1.1
159.08028	32.7
159.11676	2.8
161.09567	3.4
163.07555	2.4
163.11139	1.4
165.06880	1.5
169.10074	2.0
171.11661	1.7
173.09566	2.4
173.13188	1.6
175.07509	1.3
175.11201	2.1
177.08949	1.2
183.08018	1.1
185.09552	3.6
187.11156	1.3
189.11189	2.2
193.12277	2.4
197.09541	2.3
197.13240	1.8
199.11253	1.9
205.12129	1.6
211.07477	1.1
211.11304	2.1
215.14240	2.5
221.05893	6.7
224.58379	0.9
225.16194	1.3
229.12253	1.8
233.15312	2.1
235.07668	1.1
243.17465	1.8
247.07639	1.6
249.05412	10.5
250.05899	1.1
253.15857	5.9
259.51062	1.3
261.18469	1.1
263.16571	1.2
264.07773	5.7
271.16913	7.0
272.17154	1.1
277.04816	4.9
278.05307	1.3
279.10327	1.0
287.97559	1.0
289.17908	25.2
289.25208	1.9
292.07217	26.7
293.07559	2.0
307.09616	36.8
307.13025	2.3
307.18756	5.4
307.26257	3.1
308.09982	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	307.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
67.05480	1.6
67.79787	0.9
70.75690	2.5
79.05467	1.3
81.07024	0.9
91.05481	1.2
94.06532	1.2
98.06042	1.0
98.26231	0.9
105.07035	1.3
107.08599	1.3
108.04415	1.0
109.51787	0.9
116.82317	0.9
117.07043	1.1
122.06011	1.5
123.08034	1.1
129.06973	1.1
131.04832	1.0
135.08026	2.1
136.07553	1.7
139.02707	0.8
140.07045	1.1
142.36229	0.9
144.08122	1.0
145.06477	0.9
146.09642	1.5
149.05981	2.0
155.08537	1.1
160.07538	1.7
161.05978	2.0
164.07124	1.0
168.06593	2.6
169.10132	0.9
173.05920	1.5
174.09137	2.4
175.03873	2.0
177.10210	1.3
178.08629	12.2
179.08568	1.1
182.08156	0.9
183.08009	0.9
184.07582	1.0
185.08400	1.0
187.07404	1.6
188.07043	2.1
197.09511	1.0
198.09201	1.4
199.07442	1.2
201.08878	1.8
201.10463	2.1
202.08562	5.1
205.04869	1.3
205.09790	4.4
206.08092	2.4
211.07613	1.8
212.07111	1.1
216.10226	2.8
219.11404	4.2
225.09042	2.2
226.08626	2.1
229.09634	3.9
230.08063	2.7
243.10133	1.2
244.09683	4.2
247.06152	1.5
247.10811	11.1
248.09142	1.5
261.07645	1.0
262.10764	1.3
265.11829	13.6
271.10599	1.9
272.09207	2.2
289.11813	15.3
290.09988	1.1
292.07242	1.6
307.05566	6.3
307.12842	100.0
308.13153	2.6
316.78922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
56.29793	0.3
63.95940	0.3
67.01835	1.8
69.07051	0.4
70.53103	0.8
79.05475	0.8
81.07011	0.4
82.24037	0.3
89.27869	0.3
94.06548	0.8
96.04473	0.6
97.02911	0.5
98.06039	1.4
103.05460	0.5
105.07012	0.5
106.02925	0.4
106.06526	0.5
107.08574	1.5
108.04446	1.4
110.06090	0.4
117.07036	0.5
120.04444	0.4
121.06449	0.3
122.06005	2.3
123.04397	0.8
129.06955	0.5
130.06531	0.6
131.08519	0.7
132.08112	0.5
134.05942	0.4
135.08009	2.0
136.07556	1.4
138.05461	0.4
140.07042	2.0
145.06479	0.5
146.05984	0.7
147.07993	0.4
148.07513	0.5
149.05968	0.5
149.07085	0.4
150.05482	0.6
150.09116	0.5
156.08032	0.8
158.09657	0.4
159.08029	0.4
159.09235	0.6
160.07596	2.0
163.08647	1.8
164.07074	0.4
168.06543	2.1
170.05986	0.3
170.09641	0.6
172.07526	0.7
173.10794	0.6
174.09125	3.1
176.07056	0.7
176.10738	0.3
177.10217	1.3
178.08606	13.3
182.08037	0.7
184.06160	0.5
184.07576	2.3
186.07771	0.6
186.09212	0.6
187.03893	0.4
187.07304	0.7
187.08650	1.4
188.07050	4.4
189.10249	0.5
190.08743	0.4
191.08144	0.8
196.09738	0.6
198.09059	2.1
200.07396	0.4
201.06644	1.0
201.10266	2.8
202.08624	5.0
204.10237	0.6
205.09738	3.8
206.08141	2.6
211.08635	0.6
212.07034	0.8
215.08217	0.5
215.11865	0.4
216.10318	2.6
219.07674	1.4
219.11256	6.1
220.09720	2.5
223.05945	0.4
226.08641	1.9
229.05003	0.4
229.09698	4.7
230.08054	3.5
233.08023	0.7
243.11282	2.3
244.09610	4.0
247.10751	11.8
248.09137	1.4
249.05461	0.4
261.12292	1.3
262.10809	1.6
265.11810	12.9
265.14648	0.7
271.10733	2.1
272.09076	2.1
289.11798	15.2
290.10007	0.9
292.07117	0.8
307.12842	100.0
308.13275	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	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01864	2.0
61.02977	0.3
67.01828	1.0
69.07048	0.4
70.86849	0.9
79.05453	0.8
91.05493	0.3
91.65449	0.3
93.07023	0.6
94.06526	0.6
95.04988	0.5
97.06474	0.4
98.06042	0.8
106.50478	0.3
107.08564	0.7
108.04472	1.1
117.06995	0.4
118.06547	0.5
120.04444	0.4
122.06028	2.0
123.04403	0.4
124.07539	0.7
130.06508	0.5
132.08090	0.6
135.08025	2.3
136.07542	0.9
138.05542	0.5
140.07037	2.2
143.08582	0.4
146.05952	0.5
146.09628	0.9
148.07552	0.4
150.09090	0.6
156.08080	0.9
159.09151	0.7
160.07611	1.9
163.08659	1.4
164.54305	0.4
166.08554	0.4
168.06567	2.3
170.09709	0.5
173.10745	0.6
174.05492	0.4
174.09151	1.7
176.07080	0.5
176.10660	0.6
177.10242	1.6
178.08614	15.4
180.08209	0.4
181.06473	0.4
182.08095	0.9
184.07484	2.1
186.09299	0.6
187.08792	1.8
188.07051	3.6
188.10732	0.6
189.10237	0.5
190.08809	0.5
191.08208	0.7
198.09145	1.4
200.06995	0.4
201.06613	0.6
201.10313	3.5
202.08646	5.4
204.10188	0.5
205.09755	3.0
206.08084	3.0
212.07033	0.7
215.11804	0.9
216.10318	3.3
217.09767	0.8
219.07716	0.9
219.11310	4.8
220.09712	2.5
226.08644	2.3
228.10071	0.5
229.09785	5.4
230.08118	4.0
237.12288	0.5
243.11263	1.6
244.09676	4.4
247.10785	12.8
248.09087	0.8
253.09691	0.4
254.08206	0.8
254.17917	0.4
261.12320	1.4
262.10715	2.4
265.11807	14.9
266.12146	0.6
271.10706	1.9
272.09152	1.9
289.11795	17.7
290.10092	0.7
307.12854	100.0
308.13171	3.0
309.42960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15953	3.4
65.69292	4.7
69.98100	19.0
82.06563	7.7
82.99853	3.5
83.30780	3.8
85.02893	4.3
91.80197	3.2
94.06547	10.0
98.21320	5.1
101.00851	4.8
103.02423	7.4
103.54189	3.9
103.95799	3.7
115.02457	6.2
115.03318	3.4
119.01895	25.4
121.03506	4.4
131.01961	4.1
133.03456	33.0
143.01921	6.9
143.08189	5.9
145.03419	7.1
151.04488	12.1
157.03468	4.8
161.02940	12.6
163.04372	5.5
169.03368	3.9
175.04501	18.8
185.02940	4.1
187.00864	4.0
187.02950	5.2
187.04550	14.9
196.04662	6.5
197.04593	4.2
217.05553	54.4
229.01994	5.5
247.02942	11.0
265.07718	20.3
307.07840	100.0
316.86523	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	307.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83730	0.8
56.96549	1.5
57.03416	1.1
58.99846	1.1
61.02911	3.1
64.08975	0.7
65.58427	0.8
69.03406	2.7
69.79639	3.7
69.80071	2.2
70.06585	0.8
70.99845	0.8
77.00887	1.3
81.03404	1.1
81.04520	1.3
82.99857	1.6
85.01435	1.0
85.02895	2.5
97.02877	1.2
98.09671	1.9
98.97559	1.5
99.09972	1.4
101.00860	23.1
102.91264	0.8
103.02419	2.2
106.94967	0.8
110.38120	0.8
113.00869	1.0
115.02417	13.2
119.01904	100.0
120.01987	1.9
121.01643	1.3
121.03472	1.8
125.07090	0.9
127.03850	1.0
129.03934	4.3
131.01894	6.8
133.01845	1.1
133.02499	1.7
133.03448	29.1
135.05005	1.7
137.02933	24.0
142.03502	2.3
143.01884	8.0
143.08121	3.6
144.10175	1.2
144.99791	2.5
145.03462	5.4
145.08641	1.0
147.01405	1.4
147.05043	6.6
151.04472	6.1
155.01888	2.5
157.03427	4.5
159.01361	3.9
159.05017	0.9
161.02933	22.5
163.02614	1.3
163.04480	1.4
168.99777	10.0
169.03479	1.7
171.01326	1.6
171.05003	1.5
172.99312	1.7
173.02956	6.2
175.04529	8.3
177.02405	12.8
179.03957	1.4
184.04512	1.4
185.02870	2.8
186.99234	1.7
187.00868	25.3
187.04486	6.4
189.02412	2.5
189.06123	1.2
191.03984	4.9
196.99284	5.3
197.02989	0.9
199.00813	1.1
199.04442	1.9
201.02382	2.6
203.03947	2.2
205.01907	12.6
207.03499	1.1
212.16850	0.8
215.00337	35.2
216.00589	0.9
217.01964	2.8
217.05560	24.7
219.03474	9.3
221.05182	1.2
229.01909	12.6
233.01369	3.5
235.06578	2.1
237.04572	1.6
238.01851	1.8
247.02968	59.8
248.03262	1.9
253.07530	1.9
265.04001	12.2
265.07657	7.3
267.09381	1.9
270.04572	3.2
277.07596	3.6
283.04950	2.0
289.04025	7.5
295.08704	2.9
307.05020	6.5
307.08743	5.1
307.15820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.01862	1.0
56.96558	3.5
57.03434	3.0
59.02345	1.0
61.02927	5.0
68.15015	0.8
69.03426	5.4
70.06588	1.1
71.04965	1.0
71.60097	1.7
77.00906	2.8
79.51744	0.9
81.03409	3.1
81.04535	2.0
82.06548	3.1
82.99883	1.8
84.08145	1.9
85.02898	7.8
94.06553	1.8
95.06071	1.6
97.01405	0.9
97.02871	4.9
98.09695	1.3
98.97573	1.5
99.04426	1.6
99.10052	1.2
100.07591	0.9
101.00874	18.2
103.02430	2.5
109.02895	2.3
113.00828	1.3
115.02423	12.0
116.98596	2.2
117.05540	1.0
119.01911	100.0
120.02019	4.7
121.01658	2.9
121.03468	2.2
122.47540	1.0
125.07127	2.5
127.03916	3.2
127.32254	0.9
128.06970	0.9
129.03975	5.1
130.06496	2.3
131.01897	6.3
133.03458	28.4
134.03568	1.7
134.99652	1.5
135.05040	1.8
137.02946	31.8
139.02434	1.0
142.03490	3.3
143.01889	10.4
143.08138	7.4
144.08472	3.1
144.99823	3.7
145.03461	8.0
145.08635	2.5
146.08087	1.9
147.01399	1.8
147.03226	1.2
147.05074	6.0
149.02994	1.8
151.02591	1.3
151.04529	9.4
155.01900	3.6
156.05081	1.5
157.03473	7.3
157.07617	1.5
158.05989	1.3
159.01445	2.0
159.05057	2.7
161.02957	22.9
162.03107	1.7
163.02646	1.2
163.04559	2.4
164.02283	1.3
168.99805	10.4
169.01944	1.1
169.03384	2.4
171.01457	1.1
171.05026	1.6
173.02917	9.8
174.03049	1.2
175.03078	1.3
175.04530	9.1
177.02400	10.2
177.05862	1.4
181.03493	2.7
182.03543	1.3
185.02960	3.9
187.00874	20.6
187.02667	1.2
187.04478	7.1
189.02461	3.1
191.00536	1.0
191.03976	3.6
196.99350	4.7
197.02957	2.5
199.04526	3.5
201.02470	2.2
203.04073	3.1
205.01926	10.6
205.05614	1.1
215.00351	31.6
216.00525	1.9
217.01987	2.4
217.05559	25.6
219.03522	8.8
221.05180	1.5
229.01906	12.0
233.01421	4.0
235.06612	4.0
238.02008	3.3
239.00066	1.0
245.05147	1.2
247.02972	51.8
247.06888	2.1
248.03204	3.8
253.07590	5.6
258.07947	1.0
265.04074	10.7
265.07700	7.5
267.09467	1.4
270.04630	3.8
271.05029	1.0
276.07404	2.3
277.07727	12.6
289.04077	4.0
295.08829	9.6
307.04904	6.0
307.08258	12.2
307.15924	1.5
308.13324	2.8
326.14163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.05014	0.3
57.06806	0.5
57.07068	5.9
58.06599	2.3
67.05479	0.3
68.05009	0.3
69.07050	0.8
69.84685	1.2
69.85105	0.6
70.06580	23.7
71.08620	3.6
72.08153	2.1
79.05455	0.5
81.07048	0.8
84.08131	2.8
86.09692	2.8
87.04421	0.4
87.34547	0.3
88.07614	13.5
89.06003	0.9
91.05437	0.3
93.07060	0.4
95.08581	0.5
97.06506	1.1
102.09164	7.6
106.69983	0.3
109.10130	0.4
114.09158	0.4
115.44012	0.3
122.84628	0.3
132.10184	6.4
146.11739	6.9
147.19676	0.3
156.17441	3.0
168.78014	0.2
179.06993	0.3
182.18991	0.7
186.80566	0.3
190.14233	0.3
200.20062	27.9
201.20383	0.6
203.03334	0.4
218.21057	0.3
227.88017	0.3
244.22687	32.5
245.07988	0.4
245.23045	0.7
250.85378	0.3
288.25311	2.2
289.10602	1.3
306.26334	100.0
307.09692	0.4
307.26633	2.9
320.82870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	2.9
56.05033	3.9
57.03421	1.0
57.07065	4.8
58.06327	0.6
58.06593	7.3
60.04499	1.5
67.05481	2.1
68.05002	0.5
69.07051	1.7
70.06563	1.2
71.08620	1.5
71.58568	1.0
72.08140	2.5
74.06071	4.7
79.05484	2.6
81.07027	2.5
83.04948	0.6
83.08595	1.2
85.10170	0.7
86.06051	4.8
88.07620	32.9
89.06035	0.5
91.05469	2.7
93.07008	2.5
94.03902	0.4
95.04918	1.3
95.08612	0.8
97.06502	1.0
97.10153	1.1
100.07632	1.1
102.09153	0.7
104.07104	3.4
105.06998	1.1
107.04932	1.0
107.08563	1.1
109.06544	0.6
109.10146	0.8
117.06975	0.7
118.08614	1.2
119.08572	1.9
121.06497	2.2
125.09634	1.3
129.06969	0.6
131.04913	0.5
131.08524	0.9
132.10190	8.9
133.10181	0.5
135.04404	0.5
135.08032	0.9
137.05920	0.8
145.10136	0.5
151.07500	0.8
162.11215	2.1
166.10709	2.7
179.06926	0.8
180.07286	1.4
189.11281	0.6
207.06050	0.7
214.21628	33.9
215.14169	0.5
215.21927	1.1
226.21770	0.6
250.55006	0.5
258.24237	11.9
276.05701	0.8
288.25397	1.0
289.17957	2.7
306.10486	4.4
306.26349	100.0
307.18939	1.8
307.26624	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48835	0.4
66.04708	0.4
69.07038	1.3
69.86606	2.4
69.87017	1.0
79.05475	0.5
81.07041	1.2
91.05453	0.6
94.04175	2.5
100.07659	0.4
109.06467	0.5
109.10086	0.4
114.09171	0.6
122.03641	6.7
122.04450	0.8
133.10037	0.6
135.11656	1.1
137.05957	100.0
138.06293	1.0
153.12727	1.2
170.15359	2.2
182.15407	2.1
198.01625	0.5
217.00981	0.4
226.31071	0.4
284.55075	0.4
306.20627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01864	2.3
55.05505	13.6
57.03421	2.6
59.04998	1.7
63.95999	1.1
65.03904	1.2
67.01862	2.7
67.05194	1.3
67.05502	15.2
69.03407	2.0
69.07052	6.4
71.01317	2.6
71.04943	1.0
71.37322	2.1
79.05488	21.4
81.07047	20.7
83.01302	1.3
83.04942	2.3
83.08598	4.3
85.06527	4.7
91.04920	1.8
91.05466	23.1
93.07033	20.9
95.04971	5.3
95.08595	12.5
97.06527	2.6
97.10155	4.5
103.05459	1.5
105.04478	1.1
105.07018	20.5
107.04948	7.3
107.08567	10.1
109.06508	6.8
109.10124	3.2
111.08083	1.7
113.06004	1.9
115.05423	2.3
117.07004	11.8
117.75150	0.9
119.08571	11.1
121.06493	5.6
121.10126	8.3
123.08066	2.5
125.09608	4.9
128.06215	3.1
129.06972	4.9
130.07750	2.5
131.04868	1.2
131.08542	16.9
133.06461	2.9
133.10107	6.1
135.04460	4.9
135.08040	8.5
135.11668	2.1
136.05124	1.9
137.05951	12.7
139.03860	3.6
139.07526	1.2
139.11182	2.2
141.06996	1.9
142.07767	1.3
143.08542	12.6
145.06422	1.8
145.10121	18.4
147.08018	6.3
147.11673	2.4
149.06000	2.1
149.09615	2.8
151.07536	10.3
153.09129	1.1
155.08524	1.4
157.10097	5.9
159.07986	2.4
159.11656	4.6
161.09627	5.2
161.13184	1.3
163.03894	5.9
163.11156	2.0
167.07048	2.1
169.10063	2.8
171.11650	5.6
173.05942	1.8
175.07465	2.5
175.11061	1.5
177.05524	2.4
177.09122	1.4
178.06236	8.0
179.07018	44.7
181.10080	1.9
183.11658	1.7
185.13249	1.7
187.03848	1.3
187.11172	1.6
191.03365	12.1
191.06999	1.4
195.11646	2.6
201.05412	1.7
201.12517	1.0
203.12752	1.5
205.04866	2.0
206.05728	13.2
211.14883	1.2
217.15948	2.1
219.06496	2.4
229.04980	3.4
237.16383	2.9
244.07224	8.6
245.18893	1.4
247.05971	3.6
255.17505	2.6
257.04401	2.0
259.05872	1.3
261.07501	1.8
262.08243	1.3
273.18503	10.7
275.05521	8.7
287.16449	1.4
287.19940	1.9
290.07816	13.0
305.10159	100.0
305.21112	9.6
305.31314	7.5
306.10571	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	305.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01852	4.0
55.05273	1.8
55.05505	21.1
57.03431	8.4
59.04984	2.0
67.01854	2.9
67.05497	20.3
69.03421	4.2
69.07059	8.4
69.54446	12.2
71.01347	3.0
71.04971	3.8
79.05481	22.5
81.03384	2.7
81.06546	1.7
81.07040	23.0
83.01321	1.4
83.04945	3.9
83.08598	9.6
85.02882	3.0
85.06525	2.5
91.05468	28.8
91.65485	1.3
93.07043	15.8
95.04947	5.1
95.08208	1.0
95.08612	10.7
95.48139	1.2
97.06490	2.1
97.10163	12.3
98.06009	2.8
103.05438	1.3
105.07025	15.8
107.04904	6.9
107.08580	16.8
109.06500	10.8
109.10133	15.4
111.08093	1.6
113.93783	1.3
115.05459	2.5
117.07017	13.8
119.08567	25.7
121.06501	3.0
121.10160	6.4
123.08022	4.7
123.11621	1.3
125.09620	17.4
127.11147	1.6
129.06993	6.9
130.07758	1.7
131.08534	13.1
133.06473	2.6
133.10121	7.2
135.04405	4.8
135.08031	11.4
135.11626	2.4
137.05962	17.8
139.03912	2.0
139.07446	1.9
141.06963	2.1
143.08580	6.1
145.06514	1.6
145.10104	14.4
147.08040	14.7
147.11647	3.0
148.05191	1.8
149.09624	2.7
149.13242	1.7
151.07523	12.7
151.11116	2.0
153.09093	3.4
157.10130	5.0
157.12222	1.8
159.11685	6.0
161.05997	1.7
161.09610	4.6
161.13211	2.0
162.06743	2.1
163.03889	6.8
165.09094	3.0
167.06943	3.0
167.08296	1.4
171.11690	2.8
173.13263	2.8
175.03975	1.9
175.07509	2.5
175.11111	2.6
176.08347	1.6
177.09123	1.4
178.06195	7.6
179.07007	44.3
179.10529	1.2
180.07381	2.0
183.11673	2.2
187.03807	1.3
189.09161	1.7
191.03394	12.9
191.06973	1.8
195.06491	2.6
195.11670	1.4
199.14664	1.6
201.05499	3.1
201.12721	1.6
203.11058	2.0
203.12674	9.3
203.14374	1.8
204.04274	1.2
206.05728	19.2
217.15880	3.6
219.06528	2.0
229.04971	3.1
237.16444	2.2
244.07207	7.9
245.18912	2.9
247.05885	2.7
255.17378	3.8
257.04285	2.2
263.16415	2.9
269.19003	1.5
273.18484	34.5
275.05490	9.3
287.16415	4.9
287.19879	1.8
290.07855	10.7
305.10162	100.0
305.17432	6.8
305.21072	10.7
305.26770	15.0
305.31351	9.3
306.10464	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	305.2107
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03922	1.0
55.01867	3.0
55.05505	10.6
59.04979	0.9
65.03918	0.5
67.05496	6.5
69.03402	1.3
69.07069	3.2
71.04975	0.5
79.05486	11.2
81.03398	1.2
81.06571	0.5
81.07045	10.4
83.04944	1.1
83.08607	4.3
85.06498	0.7
86.78808	0.4
91.04942	0.6
91.05468	9.1
93.07030	7.7
95.04953	3.7
95.08603	3.9
97.06525	1.0
97.10155	4.8
98.20669	0.8
103.05455	0.7
105.04468	0.4
105.07015	9.0
107.04925	3.7
107.08579	5.2
109.06501	1.3
109.10137	1.4
111.08075	0.5
117.06997	4.4
119.04938	2.0
119.07759	0.5
119.08556	7.7
119.09328	0.7
120.05672	0.6
121.06496	3.1
121.10098	2.1
123.08056	1.0
125.09587	3.4
129.06996	1.5
131.08537	4.8
133.06468	3.2
133.10101	1.9
134.07240	1.0
135.04384	0.7
135.07999	2.3
135.11676	1.7
143.08531	1.8
145.06410	0.8
145.10098	4.8
147.08023	5.1
147.11678	0.6
149.09583	1.6
149.13266	0.5
150.06628	0.4
151.07474	1.0
153.09091	0.8
157.10132	1.6
159.08026	0.6
159.11639	1.3
161.09630	2.0
162.10368	1.0
163.03848	0.6
163.11176	1.4
167.06894	0.4
169.10138	0.5
171.11639	1.0
173.09624	0.5
175.11176	1.2
178.06236	0.6
179.07016	3.8
182.74062	0.4
188.20563	0.4
191.03331	1.3
203.12703	1.4
206.05685	1.8
237.14696	0.5
244.07268	0.8
245.18846	0.5
255.17401	0.9
263.16367	1.0
273.18451	5.8
290.07837	0.8
305.10159	8.8
305.21069	100.0
306.10300	0.4
306.21362	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	305.2107
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03926	1.4
55.01865	3.6
55.05504	13.2
57.03431	0.8
59.04995	2.3
61.56637	0.5
65.03930	0.7
67.05497	9.1
69.03407	1.8
69.07061	4.8
70.16277	0.4
71.04969	1.2
73.06544	0.7
75.84327	0.4
79.05484	13.9
81.03399	0.9
81.07048	14.1
83.04958	1.9
83.08609	5.4
85.02934	0.5
85.06524	1.3
87.01060	0.4
91.04926	0.7
91.05472	13.7
93.07035	9.2
95.04946	4.7
95.08591	4.9
97.06512	1.3
97.10162	6.2
102.46526	0.4
103.05451	0.9
105.03387	0.5
105.07017	10.1
107.04961	5.2
107.08578	7.5
108.05709	0.7
109.06489	1.9
109.10132	2.0
111.08093	0.7
113.28658	0.5
115.05452	1.2
116.06195	1.1
117.07019	6.4
119.04949	2.1
119.08566	13.0
119.09412	0.7
121.06474	4.1
121.10120	3.4
123.08051	2.0
125.09616	6.5
128.06242	1.0
129.06999	3.3
130.07735	1.1
131.08548	7.1
133.06477	5.1
133.10117	2.4
134.07231	0.8
135.04375	0.9
135.08015	3.6
135.11670	1.1
137.05959	0.6
142.07722	0.6
143.08553	3.0
145.06461	1.0
145.10117	5.7
147.08023	7.3
147.11697	1.3
149.09572	2.7
150.10344	0.9
151.07529	1.3
151.11186	0.9
153.09065	1.1
155.08502	0.7
155.10539	0.5
157.10091	2.0
157.12172	0.5
159.08081	0.8
159.11673	1.8
161.09619	2.6
162.10349	1.4
163.03789	0.7
163.11157	1.6
165.09142	0.7
167.10570	0.6
169.10155	0.6
171.10187	0.6
171.11649	1.7
173.09517	0.7
173.13393	0.6
175.11153	1.7
178.06187	1.3
179.07018	4.9
185.13327	0.7
189.12746	1.0
191.03398	1.5
191.07043	0.6
195.11662	0.7
199.11150	0.8
201.05453	0.5
203.12738	3.8
205.12196	0.6
206.05692	1.8
213.12677	0.5
213.16455	0.5
219.17291	0.6
222.14029	0.5
224.58342	0.4
229.04944	0.7
229.69345	0.6
231.84050	0.5
234.28575	0.5
237.14642	0.9
244.07179	0.7
245.19019	0.7
247.05861	0.6
255.17494	1.6
263.16406	0.8
273.18469	9.1
275.05490	1.0
287.20044	1.9
290.07928	0.9
305.10147	11.6
305.21075	100.0
306.10565	1.2
306.21414	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	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
51.79086	0.6
53.03930	2.3
55.01865	10.6
55.05504	12.3
55.09304	0.7
57.03432	8.1
65.03941	5.9
67.05495	57.2
69.03429	1.4
69.07053	6.9
70.63734	0.7
70.64098	2.6
71.04965	0.9
72.19456	0.7
73.06558	0.8
79.05485	25.8
79.05945	1.6
81.03409	2.7
81.07047	21.1
83.04962	1.7
83.08601	2.9
85.06523	2.1
91.05041	0.4
91.05465	22.6
93.07034	23.6
94.04198	0.9
95.04957	100.0
95.08597	10.7
97.06520	6.0
97.10178	0.9
105.04489	0.9
105.07015	20.1
107.04945	13.1
107.08578	15.8
109.02917	0.9
109.06506	28.7
109.10168	2.9
111.08067	2.6
115.05450	2.2
116.06203	1.4
117.06993	7.7
119.04941	1.0
119.08567	7.6
121.06484	8.2
121.10126	5.5
123.08054	3.0
123.11674	1.0
125.09663	0.9
128.06204	1.7
129.06956	5.5
130.07773	1.8
131.08560	14.3
131.53416	0.7
133.06461	5.7
133.10112	6.3
135.04431	1.4
135.08038	30.7
135.11668	6.3
137.05951	3.3
137.09558	1.5
141.06979	1.2
143.08569	6.0
145.06468	1.4
145.10091	7.4
147.08000	5.3
147.11664	2.7
148.05109	0.7
149.09586	4.8
149.13251	3.3
151.07513	2.2
155.08539	1.2
157.10059	3.9
159.08029	2.2
159.11702	5.4
161.09601	4.5
161.13255	1.2
163.03894	1.3
163.07431	0.7
163.11156	3.4
169.10214	1.2
171.11678	3.3
173.09566	0.9
173.13281	1.5
175.11192	2.2
177.12750	4.1
178.06194	1.3
179.07016	7.7
181.10060	0.8
183.11711	1.4
185.13295	2.1
187.11174	1.5
189.12686	0.8
191.03423	3.6
195.11684	1.2
199.14886	1.5
201.05382	0.9
201.12749	2.1
205.12245	1.3
206.05701	3.5
209.13260	0.8
213.12657	1.1
217.15863	6.2
227.17938	2.8
233.15289	1.7
237.16370	1.1
244.07324	1.5
245.19048	2.9
255.17468	2.8
273.18445	27.7
274.18951	1.0
275.05447	1.6
290.07898	2.6
305.10159	17.9
305.21057	12.9
306.10590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
54.84617	1.3
55.01857	4.1
55.05494	4.7
57.03439	9.5
59.04990	2.2
61.02912	2.5
65.03936	1.8
67.01869	2.7
67.05487	5.8
69.03416	8.7
70.64626	2.5
70.65023	3.1
71.01355	10.7
71.04985	13.0
73.02903	7.5
75.04475	7.1
79.05476	4.8
80.72312	1.2
81.03406	3.3
81.07043	3.1
83.01319	4.6
83.04969	20.6
85.02896	70.8
87.04450	3.2
93.07005	2.8
95.01322	3.4
95.04966	7.5
95.08565	1.9
97.02896	7.6
97.06521	2.6
99.00826	2.0
99.04436	3.0
101.02385	3.0
101.06005	3.4
103.03941	3.7
105.07053	2.7
105.66413	1.4
106.75423	1.3
107.04927	4.5
109.02850	4.1
109.06500	2.8
109.10143	1.8
111.04440	15.0
113.02346	2.7
113.05988	4.2
119.08555	1.5
119.49388	1.6
121.02809	2.7
121.06445	2.5
125.02381	3.9
125.05914	1.6
127.03949	2.9
129.05473	10.7
131.03439	2.1
131.08495	1.5
133.10115	1.7
135.04404	6.3
137.02316	3.8
139.03900	3.6
141.01802	4.2
147.04398	1.8
147.06505	4.8
151.03900	2.8
151.07547	11.4
155.03319	1.9
157.01343	1.8
157.04953	7.9
159.02864	3.6
163.03888	7.1
165.01828	5.7
167.07077	3.2
167.37492	1.4
173.08157	2.0
177.05429	2.9
178.06279	7.5
179.07014	41.6
183.02831	6.5
187.02374	3.8
191.03395	12.5
201.03894	5.8
201.05574	1.7
203.07097	2.3
205.04861	2.8
206.05711	15.0
213.07587	2.4
215.03499	1.9
219.06543	2.4
229.04953	2.7
231.06483	1.5
241.07088	3.8
244.07318	6.3
247.06020	3.9
257.04468	2.1
259.08200	3.2
261.07718	1.5
262.08411	1.8
269.06610	4.7
275.05380	8.2
287.07657	3.0
287.16620	1.5
290.07788	12.5
305.10187	100.0
306.10623	3.3
321.01440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
56.96558	14.5
57.03431	2.4
61.02904	1.4
69.03089	0.5
69.03422	4.7
69.04539	0.4
69.86302	2.1
70.98116	4.5
71.01370	0.3
71.95235	1.0
72.96044	0.4
73.02892	1.3
76.48893	0.3
81.03425	1.0
81.04533	22.9
82.05304	0.8
83.06075	0.5
84.96017	1.2
85.02892	7.8
85.06511	0.5
87.04435	1.3
88.99149	2.1
95.06081	15.1
97.02881	3.8
98.09676	1.5
98.97571	16.5
99.04459	0.6
100.99133	0.3
101.00854	0.9
104.88868	0.3
109.02869	0.6
110.97556	2.2
112.05070	1.1
112.99111	0.8
113.03471	1.4
115.02429	0.6
115.03896	1.1
116.98614	8.8
118.96893	0.3
119.01911	2.9
121.01657	0.4
121.03561	0.3
123.05577	0.3
124.95445	1.7
125.07099	22.4
127.03909	0.6
128.98582	2.6
131.00183	1.4
131.01886	1.6
131.05540	2.0
131.20131	0.3
132.02655	0.3
133.01701	0.6
133.03435	1.9
133.04948	0.9
134.99638	3.2
135.03142	0.4
140.98560	0.6
142.96515	1.9
143.00136	1.4
143.01909	1.0
143.08139	100.0
144.08487	1.0
144.10152	0.6
144.98091	0.8
145.01680	0.7
145.03436	0.9
145.04932	0.4
146.02303	0.4
146.99622	2.6
147.03194	0.7
147.04941	0.4
149.01263	0.5
149.02815	0.4
149.06607	1.7
152.98567	0.4
155.01840	1.0
156.97969	0.5
157.03444	0.6
158.99600	1.8
159.05040	0.4
160.97546	1.4
161.01205	1.4
161.02934	1.4
161.06569	1.2
165.00696	1.1
170.95920	0.8
170.99666	1.0
171.01212	0.4
172.97627	1.4
173.01353	0.6
173.02983	1.5
173.06598	0.9
174.99167	1.1
175.04553	0.6
177.00670	3.2
179.07097	1.1
183.04150	2.1
184.97563	0.7
185.03032	0.9
185.06575	1.2
186.99126	0.9
187.08214	0.4
188.97034	4.1
189.00647	2.2
190.98593	2.5
191.02246	1.1
192.04663	8.6
192.54810	1.0
193.00189	2.2
195.01779	0.8
197.06667	0.5
201.00693	0.8
201.05219	0.8
202.98624	2.9
203.04034	1.1
203.07646	2.6
203.55435	0.9
205.00211	1.4
206.05688	0.6
206.98085	2.8
207.01799	1.1
208.04961	0.7
208.99649	0.8
209.06592	0.5
211.01202	0.5
212.97150	0.4
214.98607	1.0
215.07657	3.4
217.00238	0.5
217.09212	0.9
219.01703	2.0
220.99652	2.5
221.05064	1.9
223.01230	1.0
230.98100	3.7
232.99641	2.4
233.03209	0.5
235.01236	1.1
237.02792	1.7
239.00722	0.8
239.05452	1.0
239.07671	0.6
244.99722	0.9
245.05069	0.6
245.08743	0.5
248.99184	2.3
251.00731	0.5
251.04349	4.6
263.00748	3.6
269.05408	1.3
275.09637	0.8
281.01691	3.4
287.09860	0.4
299.02744	0.4
301.07172	0.6
305.10825	9.1
305.13535	3.7
306.15466	0.9
323.06369	0.4
323.11719	0.4
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
51.65416	1.1
55.01852	2.3
55.05498	1.4
56.47424	1.1
57.03409	1.9
57.23661	0.9
65.03928	2.6
67.05501	2.0
67.09943	1.1
68.99776	5.0
69.03415	1.7
70.03037	0.9
70.30307	2.6
70.30708	2.0
71.90858	1.0
74.50479	1.0
76.25494	1.2
79.05458	1.7
82.06526	1.4
84.08118	2.3
85.02869	2.2
89.03923	2.0
91.05482	1.5
95.01307	6.5
95.04984	2.6
97.02857	2.0
103.05466	2.0
105.03385	2.2
105.07011	1.6
107.04926	2.5
111.00739	1.3
111.04397	1.5
111.56313	1.0
115.05401	3.0
117.06997	1.7
119.08552	1.1
121.02876	7.7
122.06020	2.5
123.00780	9.6
123.04418	21.9
125.02322	2.2
127.03911	3.7
128.06125	1.6
129.06955	2.1
131.04878	3.2
133.06465	4.0
135.04408	2.6
136.07544	1.7
137.02361	1.6
137.05960	1.7
139.03871	1.7
141.01808	15.5
141.06958	1.8
143.04854	1.5
143.10611	1.4
145.06480	1.4
147.04391	6.8
149.02327	63.6
150.02705	1.9
153.01804	19.4
157.06482	5.9
160.05183	1.1
161.02292	2.1
161.05968	5.8
163.03920	1.8
167.03526	1.3
169.06467	1.5
171.02805	2.3
171.07977	1.7
173.92892	1.1
175.03873	3.0
175.07483	3.2
181.04970	3.7
185.05971	9.1
189.05440	4.7
189.09169	1.7
197.05988	2.1
203.03340	8.6
203.06969	2.7
213.05463	12.2
213.09071	1.6
216.04367	1.4
217.04959	2.0
217.08545	2.7
226.06172	1.7
231.06494	61.4
232.06815	1.9
241.04942	9.6
241.08568	12.1
245.04387	1.3
245.08031	2.0
259.05994	100.0
260.06430	2.8
269.04520	3.7
269.07886	1.2
287.05502	32.9
287.08954	3.5
287.13962	1.5
299.11859	1.2
305.05466	2.5
305.11066	1.6
305.15173	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	305.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99706	1.8
56.96555	8.5
57.03413	2.1
58.29625	1.9
61.02895	2.2
69.03397	5.4
70.98080	2.3
71.63995	3.1
73.02882	2.7
81.03417	2.3
81.04530	28.3
85.02886	9.8
86.17542	2.0
95.06079	17.7
97.02882	3.8
98.97580	4.9
101.00878	1.8
109.02811	2.3
114.05482	3.4
115.63393	2.1
116.98563	3.6
119.01879	5.1
125.07090	27.7
127.03846	3.6
128.98605	2.8
129.10077	1.7
133.79930	1.6
143.01814	2.3
143.08134	100.0
145.03458	2.4
161.02849	2.7
173.02808	2.8
185.02884	2.9
185.09218	3.9
186.09404	2.9
193.00111	2.0
207.05118	2.5
230.98167	1.8
245.05199	4.5
246.47049	2.0
287.14240	5.4
305.00662	3.8
305.13333	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	305.018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
57.03426	1.8
61.02924	1.6
69.03438	6.6
69.91784	8.4
70.06586	1.6
70.97742	2.7
70.98112	29.7
71.95249	5.4
72.96039	3.5
73.02903	2.5
74.97593	3.8
75.11539	1.4
79.72781	1.6
81.04526	22.7
84.96013	5.2
85.02888	10.5
88.99139	11.8
95.06080	13.5
97.02871	5.9
98.97571	74.0
101.00838	2.0
101.21214	1.3
107.00172	2.8
107.04948	1.3
109.02856	2.2
110.97559	6.8
112.99105	2.9
115.00644	2.4
115.03924	2.7
116.98607	48.2
119.01911	5.9
124.95461	11.1
125.07097	20.1
126.96992	1.7
128.98611	9.0
131.00159	5.6
131.01906	2.5
133.01704	3.3
133.03421	2.2
134.99649	19.8
136.06091	1.8
140.00206	1.5
140.98563	5.1
141.06473	1.5
142.96501	13.1
143.00124	3.5
143.01834	2.1
143.08141	77.9
144.98064	3.4
145.01662	4.8
146.99655	10.6
147.04346	1.7
149.01186	3.4
151.07549	1.5
152.94850	1.8
153.00749	1.8
154.96469	2.2
158.01273	1.7
158.99655	12.7
160.97534	11.6
161.01192	6.0
161.02882	2.7
162.99158	2.6
165.00720	5.4
170.96005	5.5
170.99606	3.2
172.97575	17.7
173.01207	5.3
173.02890	3.2
174.99130	9.7
177.00700	12.3
178.06244	1.4
178.98665	1.9
179.07008	5.7
184.97618	3.9
185.02922	2.1
185.06543	1.9
186.99136	4.4
188.97044	28.3
189.00679	9.1
190.98616	41.4
191.02254	5.2
191.03694	1.8
192.04660	8.5
193.00201	8.9
201.00703	5.5
201.05280	1.9
202.98604	14.1
203.02260	2.5
203.04021	1.7
203.07573	3.2
205.00166	11.3
206.05705	3.8
206.98105	14.5
207.01678	7.1
208.04903	2.4
208.99673	8.1
211.01172	2.1
212.97043	2.9
214.98613	10.4
215.07628	2.4
217.00240	1.8
219.01755	5.7
220.99661	14.3
223.01230	4.2
230.98073	19.3
232.96283	1.7
232.99652	23.7
235.01230	5.8
237.02629	3.0
239.00604	2.9
244.99652	5.9
245.05009	2.3
248.99158	13.1
250.36426	1.5
251.00748	2.5
251.04352	4.4
263.00684	18.6
269.05203	1.8
275.05402	2.9
281.01776	28.2
281.90549	1.5
287.16028	1.7
290.07742	2.3
299.02814	6.3
305.10077	21.8
323.03012	1.5
323.06409	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	303.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05502	0.6
60.04332	0.4
65.03928	5.3
69.03420	0.4
69.07046	1.1
69.46605	4.3
73.06528	0.4
74.56464	0.4
79.05461	1.0
81.07053	0.8
91.05460	0.5
92.04991	5.5
93.07030	1.2
94.06547	0.9
95.04964	0.6
95.08571	0.5
97.02870	3.4
103.05414	0.9
105.07004	1.3
107.08568	0.9
109.02864	0.6
111.00764	0.5
119.08547	1.3
120.04443	0.5
121.02851	1.1
121.06456	0.4
123.04424	0.9
124.07554	0.6
124.11088	0.5
130.06488	0.5
133.06459	0.6
137.02332	2.3
138.05478	31.9
138.09111	11.8
139.79955	0.4
141.06938	0.6
144.08041	0.7
145.02843	0.5
147.11647	0.7
148.03860	0.8
148.05066	0.6
150.09131	1.8
153.01778	2.7
156.08080	0.6
159.07988	0.5
159.11623	0.5
162.05338	0.5
163.03856	0.6
163.05000	1.0
165.01788	1.2
166.04970	49.6
167.05217	0.6
167.07034	0.6
168.10626	0.5
169.08809	1.1
170.09723	0.6
173.05956	1.0
174.09114	0.6
176.04581	0.5
177.05438	0.9
184.11188	1.5
186.12764	0.7
191.06979	0.5
194.09615	0.9
196.09917	1.9
197.08383	0.8
198.09048	1.2
199.08519	0.6
200.09337	1.0
201.05481	1.9
201.10181	0.9
201.13818	0.5
205.06152	0.7
207.46794	0.4
211.12354	2.9
212.09021	0.5
212.10738	5.0
214.08910	0.5
214.12358	4.8
219.06493	10.1
220.06918	0.5
223.88638	0.4
224.09175	0.6
228.08894	0.8
229.04892	3.0
229.09688	1.6
229.13327	3.1
230.11748	3.5
232.13303	4.2
235.06912	0.8
239.11728	2.7
240.10106	1.8
241.13455	0.8
242.11806	3.9
243.11284	1.4
247.06097	0.4
256.08475	3.4
257.04327	1.2
257.09131	2.0
257.12805	14.2
258.10980	0.8
258.13400	0.8
259.11960	1.6
260.12860	4.0
267.11200	2.0
268.09573	0.7
272.11496	17.4
274.09412	11.4
275.05429	0.5
275.10205	1.8
275.13858	8.3
279.78940	0.5
285.03885	0.6
285.12283	22.6
286.10385	1.1
303.05048	25.0
303.13333	100.0
304.05249	2.3
304.13641	4.8
313.44498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50137	0.2
53.03926	0.3
55.05490	0.6
57.03407	0.2
62.87911	0.2
67.05476	0.7
69.03402	1.1
69.07053	0.4
70.06563	0.5
71.28052	0.6
72.08119	0.2
73.06544	1.5
81.03393	0.6
81.07024	0.4
83.04922	0.3
84.08113	0.5
85.02870	0.6
86.09686	0.4
87.04408	0.2
88.03966	0.3
91.05479	0.6
91.49664	0.3
94.06528	0.3
95.04931	0.6
96.05254	0.4
97.02856	0.7
97.06502	1.1
99.04427	0.3
101.06004	0.8
105.03369	0.8
108.08095	0.3
110.09616	0.5
118.06494	2.1
123.04416	0.7
124.07395	0.3
127.03921	0.6
131.04875	0.4
137.02333	0.6
137.05943	0.8
140.06990	0.3
141.07384	0.4
143.03404	0.4
145.06410	0.4
145.07535	0.4
153.01810	1.0
159.09138	1.5
161.05998	0.4
165.01764	0.4
167.06958	0.7
169.06482	0.4
171.09077	0.3
172.11177	0.7
173.07135	1.6
174.07947	0.3
181.09732	1.9
185.10707	7.8
187.03806	0.3
188.04840	0.3
196.09955	1.1
197.10593	0.3
201.05405	0.4
206.08334	1.6
211.12277	0.9
213.13760	1.2
215.03377	0.3
220.09985	0.3
221.10677	0.8
223.08739	0.5
224.09384	0.4
224.22722	0.3
229.04970	0.9
229.09692	9.4
229.13235	0.5
234.98672	0.3
238.10962	0.5
239.06969	0.5
239.11734	1.5
257.04272	0.4
257.08133	0.7
257.12796	9.0
258.13605	0.5
267.11249	3.5
275.13782	1.5
285.04089	0.4
285.07376	0.5
285.12241	3.6
303.05222	7.5
303.13339	100.0
304.05246	0.6
304.13681	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.03930	1.1
55.01859	0.4
55.05492	0.4
58.23508	0.2
65.03935	0.7
66.04707	0.4
67.05492	2.2
68.99776	1.0
71.33811	0.3
72.62141	0.2
77.03916	0.4
78.04705	0.5
79.05483	4.4
80.06254	0.3
81.03423	0.2
81.07047	1.8
83.04956	0.2
88.53487	0.2
91.05463	6.7
93.07025	1.8
94.04196	1.1
95.04953	3.8
95.08574	0.4
96.05737	0.3
103.05420	0.9
105.03394	0.4
105.04520	0.5
105.07011	1.0
107.04936	1.0
108.05720	5.9
109.02806	0.2
109.06506	8.5
111.08063	0.7
118.04164	0.2
121.06490	3.7
122.07236	0.7
123.04411	49.4
123.08041	0.7
124.04699	0.6
124.05176	0.8
125.05983	1.7
133.06494	0.5
135.04401	3.9
135.08063	0.4
135.11615	0.2
137.02339	0.4
137.05952	12.5
138.06731	2.2
139.07523	6.8
140.07892	0.2
145.10062	0.2
149.05957	7.7
150.06587	0.3
151.07489	0.9
152.04579	0.3
152.62975	0.2
152.73026	0.2
153.01776	0.6
153.05441	0.2
153.07843	0.3
153.09084	6.0
155.07001	3.3
161.06033	0.3
163.03934	0.2
165.01814	0.2
165.09087	1.6
166.06213	0.4
167.07011	100.0
168.07361	2.7
181.08569	29.1
182.08920	1.0
185.07932	0.2
193.08580	4.9
219.06616	0.2
221.82022	0.2
229.04929	0.2
257.04559	0.2
303.04971	5.6
303.12219	17.8
304.05264	0.5
304.12585	1.0
322.57724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	Odoratol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01852	1.6
65.03900	1.1
67.05504	3.4
68.99792	3.2
69.03423	0.8
69.07043	0.7
69.48874	5.3
72.17646	0.7
77.03925	0.7
79.05485	13.4
81.03395	1.8
81.07051	2.9
83.04986	0.8
91.05466	4.8
93.07024	2.4
94.04193	0.8
95.04961	7.7
97.02889	1.6
98.06882	1.1
98.21498	1.2
103.05460	3.5
105.03451	0.6
105.04514	0.8
105.07018	15.3
107.04945	23.2
107.08573	0.9
107.67930	0.6
109.02871	1.1
109.06477	3.2
115.05437	3.8
117.07036	0.8
118.04127	2.1
119.08568	1.2
121.06480	11.5
122.03629	1.2
123.04417	100.0
124.05188	2.3
125.05980	6.2
127.03899	9.4
131.04965	1.2
133.06470	14.4
133.10100	0.8
135.08049	1.0
135.11609	0.9
137.02333	2.2
137.05959	25.4
138.06313	0.8
143.05983	0.9
144.09233	0.7
149.02304	2.4
149.05963	18.2
150.06740	1.1
151.03886	28.6
152.04597	2.2
153.01808	7.7
153.05457	5.6
155.03363	0.9
161.05965	14.5
163.03923	1.0
163.07571	1.1
165.01840	1.1
167.07019	49.4
168.07385	1.4
169.06488	0.9
173.05925	1.1
177.05437	12.9
179.03372	23.0
181.08522	1.7
186.06844	0.7
187.07570	0.8
188.48685	0.7
191.07051	1.2
193.08594	4.1
196.05103	0.8
197.05981	2.1
200.04776	1.0
201.05458	4.7
205.04985	0.6
211.07581	1.2
213.05380	1.3
214.06273	3.4
215.07083	2.8
219.06430	3.7
225.05498	1.0
228.04277	0.8
229.04958	1.6
229.08513	4.7
241.37772	0.8
242.05724	3.7
243.06514	2.5
254.05643	1.1
257.04404	1.1
257.08115	4.1
270.05228	2.9
275.09088	4.7
285.04407	1.5
285.07538	39.2
286.07928	2.5
303.04965	23.2
303.08636	29.9
303.12106	0.9
304.05460	1.5
304.09009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1221
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.03947	0.9
53.04146	0.2
55.01852	0.8
55.05490	0.2
56.50077	0.2
65.03922	1.0
66.04699	0.5
67.01852	0.2
67.05487	2.2
68.99772	2.4
69.73734	0.3
69.74137	1.2
77.03912	0.5
79.05482	5.0
79.88709	0.2
80.06258	0.2
81.03406	0.3
81.07043	3.6
91.04925	0.4
91.05463	5.4
93.07040	2.1
94.04165	0.9
94.72561	0.2
95.04952	4.6
95.08589	0.5
96.05738	0.3
97.02875	0.4
97.06531	0.3
103.05451	1.7
105.03363	0.5
105.04503	0.4
105.07020	1.5
107.04926	1.3
107.08551	0.3
108.05029	0.3
108.05726	4.2
109.02831	0.4
109.06501	11.2
111.00800	0.3
111.04431	0.3
111.08050	0.7
116.18188	0.2
117.06947	0.2
119.04915	0.4
119.08588	0.4
121.06484	5.9
121.10124	0.2
122.07256	0.8
123.04407	60.5
123.08044	0.5
124.04736	0.8
124.05208	0.6
125.05977	1.2
125.09613	0.2
131.04903	0.4
133.06465	0.7
135.04388	2.6
135.08028	0.5
137.02341	0.8
137.05951	14.1
138.06790	1.5
139.07521	5.0
140.07930	0.2
145.10147	0.4
148.05186	0.3
149.05952	14.9
150.06453	0.4
151.03915	0.2
151.07513	0.7
152.04785	0.4
153.01773	1.2
153.05374	0.3
153.09064	4.9
155.06996	4.2
156.07376	0.2
159.11671	0.3
161.06033	0.3
163.07393	0.2
165.01759	0.4
165.09102	1.8
166.06171	0.4
167.07007	100.0
168.07320	2.6
177.05518	0.3
178.06212	0.3
181.08562	28.9
182.08961	0.9
183.02841	0.2
193.08571	5.3
197.05864	0.2
201.05412	0.4
219.06459	0.9
225.05632	0.2
229.04947	0.9
247.05591	0.2
257.04413	0.6
257.08047	0.3
268.67313	0.2
285.03976	0.3
285.07565	0.7
303.04962	10.0
303.08493	0.8
303.12195	15.5
303.23260	0.4
304.05356	0.7
304.12546	0.9
306.47864	0.2
315.31393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.96709	0.5
55.01865	1.2
55.05491	1.4
65.03922	1.1
67.01843	0.9
67.05504	4.4
68.99778	2.6
69.03414	0.9
69.07064	1.2
69.55586	2.3
69.56013	2.7
78.04688	1.4
79.05492	3.6
79.63441	0.6
81.03427	0.9
81.07043	3.6
81.07446	0.6
83.05000	0.6
89.03908	0.7
91.05446	3.4
93.07016	2.3
95.04955	6.4
95.08603	3.7
97.02860	1.7
97.06538	0.7
98.20708	0.8
103.05449	2.3
103.95512	0.6
105.03355	1.5
105.07024	6.6
106.04194	2.9
107.04938	1.8
107.08570	2.2
109.02864	0.9
109.06494	1.2
109.10146	1.9
111.00777	1.7
111.04387	0.7
112.28364	0.6
115.05433	1.2
117.07018	0.8
118.04157	4.9
119.08556	1.3
121.02896	0.7
121.06513	3.2
121.10107	1.2
123.04415	100.0
124.04665	1.6
129.07008	0.8
131.04901	1.5
131.08585	1.5
133.06476	30.0
133.10138	1.8
134.03624	5.2
135.04408	1.0
135.11722	1.0
137.02316	5.2
137.05960	2.5
139.07501	1.0
143.08594	0.6
145.06445	1.5
145.10068	1.1
147.04340	0.9
147.08041	1.0
147.11655	0.9
149.02290	0.7
149.05977	7.1
151.03864	0.7
151.07527	0.7
152.04659	6.3
153.01813	7.6
153.09109	0.9
155.04927	1.5
155.06956	0.7
159.07948	0.7
161.05972	11.4
161.09509	0.9
161.13277	0.8
162.06703	1.1
163.03839	1.1
165.01859	2.6
165.09077	1.0
166.06128	1.0
167.07022	75.5
168.07405	1.7
173.05960	2.0
175.14908	0.6
177.05478	0.9
177.09155	0.7
179.03265	0.7
179.07013	1.3
179.08568	0.7
181.08545	5.8
182.16370	0.7
183.02890	1.1
183.04396	1.0
193.08571	6.9
201.05449	2.7
201.16463	0.8
210.65897	0.6
219.06509	3.0
221.19708	0.7
229.04977	6.1
257.04428	3.3
274.04630	0.8
274.09900	0.8
285.03912	1.6
285.07556	0.7
285.22217	0.7
303.04965	68.0
303.08307	3.8
303.12573	2.2
303.19510	1.6
303.23151	3.0
304.05289	4.1
324.17520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01859	0.3
59.91439	0.2
65.03926	0.8
67.01843	0.6
67.05476	0.8
68.99780	2.8
69.03419	0.4
69.07058	0.3
70.60387	0.6
75.08344	0.2
79.05489	0.5
81.03394	0.8
81.07029	0.9
91.05459	0.6
93.03419	0.5
93.07017	0.4
95.04955	1.1
95.08581	0.5
97.02872	1.2
97.06537	0.4
103.05485	0.4
105.07006	1.1
107.04912	0.5
107.08595	0.6
109.02876	1.5
109.10089	0.3
110.96191	0.2
111.00790	2.0
111.04410	0.2
115.05427	0.4
117.07021	0.6
119.08556	0.7
121.02869	2.2
121.10130	0.4
123.04433	1.0
127.03862	0.6
129.06990	0.2
131.04939	0.6
131.08588	0.4
132.88460	0.2
133.02878	0.3
133.06438	0.6
133.10136	0.4
135.04399	0.7
137.02332	8.3
137.03354	0.6
137.05946	1.0
143.04889	0.3
144.10518	0.2
145.02863	0.3
145.06470	1.4
145.10065	0.2
147.04402	0.4
147.11661	0.4
149.02341	1.1
149.05922	0.4
151.03868	0.5
151.07454	0.3
153.01805	10.9
155.04933	1.5
159.04356	0.5
159.11618	0.3
161.05998	1.2
163.03894	1.1
165.01836	4.2
165.06952	0.3
166.02611	0.6
167.03290	0.2
167.06999	0.9
171.02884	0.2
173.05991	1.8
173.13147	0.3
176.04654	0.2
177.05476	0.9
179.03371	0.6
181.08560	0.3
183.02858	1.4
183.04404	1.1
185.05939	0.3
187.03894	1.2
191.03380	0.6
191.06998	0.6
195.02863	0.7
197.13351	0.2
201.05458	5.3
202.05957	0.2
204.04108	0.3
205.04799	0.4
211.03906	0.5
211.07559	0.3
213.05261	0.3
219.02921	0.3
219.06505	3.7
228.04184	0.7
229.04927	10.5
230.05396	0.4
232.03714	0.2
239.03500	0.4
245.04436	0.3
247.06007	1.6
257.04422	5.8
258.04935	0.3
271.09814	0.3
274.04764	1.4
275.05563	0.4
285.03943	2.7
285.12137	0.4
285.22238	0.3
303.04959	100.0
303.23166	0.7
304.05338	4.6
317.21820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.01855	0.4
55.05491	0.4
55.21675	0.2
64.82572	0.2
65.03923	0.5
67.01846	0.3
67.05481	0.6
68.99777	2.4
69.03401	0.3
69.07040	0.5
69.60618	2.2
79.05480	0.5
81.03387	0.8
81.07016	0.7
90.70676	0.3
91.05460	0.9
93.03388	0.5
93.07014	0.9
95.04945	1.0
95.08598	1.0
97.02873	0.8
97.06497	0.7
103.05511	0.3
105.03418	0.3
105.07015	0.8
107.04922	0.4
107.08579	0.6
109.02853	0.9
109.06511	0.4
111.00778	2.0
111.04433	0.3
115.05485	0.3
117.07008	0.5
119.08546	0.5
121.02836	2.5
123.04404	2.9
123.11723	0.3
127.03883	0.5
129.14108	0.3
131.04897	0.8
131.08545	0.3
132.85721	0.2
133.10123	0.3
135.04378	0.7
135.11667	0.5
137.02325	8.2
137.05940	0.9
144.92169	0.3
145.02840	0.3
145.06461	0.9
149.02333	1.0
149.05991	0.4
151.07550	0.3
153.01807	10.7
155.04889	1.1
159.04417	0.5
159.11606	0.3
161.05936	0.9
163.03911	1.0
165.01799	3.7
166.02579	0.5
167.06992	2.9
173.05939	1.6
176.04532	0.3
179.03365	0.6
181.08521	0.7
183.02856	1.5
183.04408	1.0
185.05983	0.3
187.03847	0.8
191.03352	0.6
191.06981	0.4
195.02859	0.4
201.05424	4.1
205.04953	0.6
207.02798	0.3
211.03886	0.3
213.05453	0.6
215.03459	0.3
219.03078	0.3
219.06494	2.2
228.04181	0.7
229.04922	9.0
239.69243	0.3
243.11276	0.5
247.06009	1.1
257.04419	4.9
258.05029	0.3
274.04773	1.5
275.05234	0.4
285.03821	2.6
285.12317	0.9
303.04947	100.0
303.23120	0.8
304.05286	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	303.0859
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
51.02362	1.1
53.03930	1.3
55.01856	1.8
65.03919	2.7
67.01846	0.9
67.05491	4.7
68.99783	7.0
69.03410	1.3
69.07054	1.7
69.52084	5.8
71.31248	0.7
73.47952	0.8
79.05484	10.1
81.03392	3.3
81.07039	3.9
83.04953	2.0
91.05469	6.1
93.03391	0.9
93.07018	2.9
94.04157	0.8
95.04957	10.8
95.08593	1.5
97.02881	1.4
97.06520	4.7
98.06818	1.7
103.05447	3.1
105.03333	1.2
105.04490	0.7
105.07015	10.6
106.04166	1.0
107.04948	12.4
107.08601	2.2
109.02859	1.7
109.06504	6.7
109.10098	1.0
110.03612	1.4
111.00774	2.6
111.04403	1.7
115.05436	3.6
117.07004	1.3
118.04140	2.2
119.04874	0.9
119.08549	1.3
121.02842	1.6
121.05612	1.5
121.06492	27.2
121.10107	2.2
123.04411	84.6
124.05164	2.3
125.05969	9.7
127.03895	25.3
128.06271	0.7
129.06970	1.1
129.15100	0.7
131.04846	1.7
131.08539	1.6
133.02859	0.8
133.06482	11.9
133.10149	1.0
135.04372	1.0
135.08055	1.5
137.02414	3.9
137.05957	68.9
138.06320	1.4
141.06937	1.2
144.05745	1.1
145.06430	1.5
147.07979	0.8
147.11749	0.7
148.05252	0.8
149.02327	5.1
149.05952	35.5
149.09592	1.4
150.06749	2.3
151.03882	72.9
152.04427	1.7
153.01813	20.6
153.05438	17.2
155.03334	2.1
155.04831	1.1
159.08012	1.6
161.05969	7.4
161.09680	0.8
161.13289	0.8
163.03851	2.6
163.07494	1.8
165.01794	2.4
167.07025	25.4
167.08452	0.9
168.05655	1.1
169.06471	2.1
171.07996	0.9
173.05963	2.7
174.06747	1.3
175.03983	0.7
175.07404	1.0
176.04590	0.9
177.05440	37.2
179.03368	59.9
180.03618	1.1
181.08519	2.0
183.08121	0.8
184.05180	0.9
185.05916	0.9
186.06749	1.1
187.07495	5.4
189.09056	1.8
191.06960	3.2
193.08612	1.7
197.05949	4.7
198.06590	1.2
200.04677	1.7
201.05411	9.5
201.09056	0.8
205.12196	0.8
211.07558	2.6
213.05446	5.8
214.06258	5.9
215.07025	8.3
217.08591	1.3
219.06447	3.7
225.05376	2.8
226.06250	1.3
229.05049	3.8
229.08543	12.4
233.08023	1.0
239.07005	1.4
241.04965	1.4
242.05727	9.7
243.06488	5.4
246.05704	0.9
253.04936	2.5
254.05594	1.9
257.04364	2.1
257.08020	8.6
269.04349	1.0
270.05167	9.0
274.04758	1.0
275.09070	10.5
285.07529	100.0
286.07870	3.4
303.04947	43.6
303.08591	86.0
303.22946	1.4
304.05280	1.8
304.08890	2.4
324.40463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03946	0.4
55.05498	0.4
57.07054	1.5
65.03912	0.8
65.59393	0.3
67.01859	0.4
67.05479	0.9
68.99773	2.8
69.07056	0.4
70.06575	1.5
71.08610	0.8
79.05474	0.8
81.03393	0.7
88.07647	2.2
91.05481	0.9
93.03380	0.7
93.07034	0.8
95.04959	1.9
95.08591	1.2
102.09141	0.4
103.41734	0.3
105.06996	1.2
106.08664	1.3
107.08595	0.6
109.02859	1.5
109.06519	0.4
111.00817	2.1
111.04406	0.4
117.07010	0.4
119.08543	0.8
121.02830	2.1
121.06519	0.5
121.10115	0.6
123.04416	4.2
123.08086	0.5
127.03965	0.4
131.04900	0.4
133.06477	0.6
133.10112	0.7
135.04370	0.4
135.08000	0.4
136.05089	0.4
137.02328	8.2
137.03372	0.6
137.05919	0.5
139.07523	0.4
145.06464	1.0
145.10092	0.6
149.02330	0.8
149.05948	0.7
151.07561	0.5
153.01814	9.7
155.04901	0.9
159.11716	0.4
161.05988	1.1
163.03857	1.2
165.01836	3.6
166.02570	0.9
167.07036	4.8
173.05927	1.9
177.05385	0.5
181.08571	1.2
183.02873	1.4
183.04317	0.7
187.03885	1.3
195.02875	0.4
201.05458	4.5
205.05009	0.6
207.02823	0.4
213.05641	0.3
219.06427	0.7
228.04143	0.8
229.04958	10.2
247.06058	1.3
257.04413	5.8
274.04700	1.4
275.05319	0.4
284.29422	0.8
285.03876	2.4
285.29550	0.5
302.30511	9.2
303.04959	100.0
303.19659	0.9
303.23175	0.8
303.27368	0.7
303.30792	8.0
304.05276	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03920	0.2
53.15848	0.2
55.01867	0.4
64.80944	0.1
65.03928	0.5
67.01841	0.4
67.05476	0.5
68.99416	0.2
68.99780	2.8
69.03406	0.3
70.26070	0.2
71.06623	0.3
72.96311	0.2
81.03398	0.8
83.01315	0.3
91.05467	0.3
93.03377	0.7
95.04946	0.9
95.08575	0.3
95.88928	0.2
105.03391	0.3
105.07022	0.4
107.04919	0.3
109.02865	1.2
111.00799	2.2
111.04398	0.3
112.62862	0.2
115.05423	0.2
117.07005	0.3
119.04895	0.2
121.02851	1.8
123.04378	1.1
127.03900	0.5
131.04916	0.5
133.02766	0.2
133.06488	0.2
135.04362	0.4
137.02325	8.9
137.03337	0.5
137.05943	0.2
143.04875	0.2
145.02771	0.3
145.06480	1.0
149.02394	0.9
149.05914	0.2
153.01807	11.6
155.04910	1.2
159.04382	0.2
161.05923	0.7
163.03883	1.5
165.01822	4.4
166.02618	0.5
167.06999	0.4
171.03006	0.2
173.05952	1.6
177.01807	0.3
177.05420	0.2
179.03380	0.4
183.02863	1.9
183.04419	1.1
187.03877	1.0
191.03365	0.4
191.06915	0.3
195.02884	0.3
201.03674	0.4
201.05443	4.7
205.04953	0.6
211.03856	0.6
213.05515	0.2
215.03317	0.3
219.02931	0.2
219.06465	0.7
228.04178	0.7
229.04921	10.6
230.05238	0.4
239.03397	0.5
247.05998	1.2
257.04416	5.9
267.58362	0.2
274.04639	1.6
275.05347	0.4
279.16977	0.2
285.03925	2.6
293.82269	0.2
302.30472	0.2
303.04941	100.0
304.05267	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03932	0.3
55.01859	0.4
55.05471	0.1
57.03402	0.1
61.86429	0.1
65.03919	0.7
65.32641	0.1
67.01844	0.5
67.05488	0.4
68.99779	2.8
69.03400	0.3
69.64542	0.7
70.06561	0.2
71.01331	0.2
73.06534	0.1
81.03405	1.0
83.58199	0.1
85.02892	0.2
87.04424	0.2
91.05450	0.2
92.02583	0.1
93.03396	0.7
93.07002	0.1
95.04942	1.0
97.02886	0.4
98.20712	0.3
100.61246	0.1
101.05968	0.2
103.05414	0.2
105.03355	0.3
105.07007	0.3
107.04936	0.5
109.02862	1.3
110.03648	0.2
111.00790	2.4
111.04427	0.2
115.05424	0.3
116.53253	0.1
117.06983	0.5
119.04868	0.2
121.02846	2.5
123.04391	1.0
127.03887	1.0
128.06184	0.1
129.06993	0.2
131.04901	0.6
133.02832	0.3
133.06465	0.2
135.04378	0.6
137.02322	10.2
137.03357	0.5
137.05952	0.4
138.02611	0.1
145.02844	0.2
145.06494	0.8
147.04372	0.3
149.02335	1.1
149.05975	0.3
150.63806	0.1
153.01804	11.2
154.02138	0.1
155.04887	1.1
155.06001	0.2
157.06480	0.3
159.04414	0.2
161.05968	0.8
163.03874	1.5
165.01817	4.3
165.03214	0.3
166.02574	0.5
167.03468	0.2
167.07027	2.0
171.02931	0.2
171.04341	0.2
173.05954	1.7
177.01805	0.2
177.05492	0.4
179.03340	0.4
183.02853	1.6
183.04407	1.1
185.05911	0.2
187.03880	1.3
191.03413	0.5
191.06921	0.1
195.02881	0.3
196.09802	0.2
200.04599	0.2
201.05435	4.8
203.03430	0.1
205.04919	0.6
206.08398	0.6
207.02859	0.3
211.03935	0.5
211.07481	0.2
211.12268	0.2
212.10738	0.2
213.05472	0.3
215.03369	0.4
217.04924	0.2
219.02898	0.3
219.06595	0.6
220.46581	0.1
223.08592	0.2
224.09561	0.2
228.04219	0.6
229.04927	10.9
230.05281	0.4
232.03740	0.2
233.04559	0.1
239.03537	0.3
239.11760	0.3
243.02742	0.1
246.05281	0.2
247.06006	1.4
257.04422	6.0
258.04779	0.2
267.11255	1.3
274.04730	1.4
275.05356	0.5
285.03906	2.5
285.12344	1.3
286.04559	0.1
303.04944	100.0
304.05270	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	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.40569	0.2
58.00241	0.2
64.58899	0.2
65.03927	0.9
67.01849	0.3
67.05486	0.3
68.99784	1.9
71.03380	0.4
72.02593	0.2
78.59374	0.2
81.03404	0.7
89.81672	0.2
91.29927	0.2
93.03397	0.6
95.04961	0.7
97.02875	0.3
109.02856	1.0
111.00809	1.7
115.05417	0.2
117.06982	0.3
121.02837	2.3
123.04410	0.8
127.03887	0.4
128.40831	0.2
131.04898	0.5
135.04402	0.5
137.02321	7.3
137.03337	0.3
145.02840	0.3
145.06445	0.6
149.02315	0.9
153.01804	9.4
155.04834	1.2
155.05981	0.2
159.04410	0.3
161.05919	0.7
163.03859	1.2
165.01836	3.6
166.02592	0.4
173.05972	1.7
177.05559	0.3
179.03413	0.5
179.55504	0.2
183.02870	1.6
183.04420	0.8
185.05963	0.2
187.03891	0.7
191.03381	0.4
191.06865	0.2
195.02867	0.4
201.05443	4.0
205.05029	0.3
207.02924	0.3
211.04048	0.4
217.04936	0.2
219.06482	0.9
228.04114	0.5
229.04913	9.1
230.05269	0.3
239.03406	0.5
247.06017	1.4
257.04419	5.1
274.04718	1.2
275.05420	0.4
285.03931	2.2
303.04947	100.0
304.05283	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01857	0.5
65.03911	0.6
67.01837	0.5
67.05480	0.5
67.21251	0.2
68.99783	2.9
69.03419	0.4
69.33143	2.2
81.03392	0.8
81.23665	0.2
91.05447	0.3
93.03394	0.8
95.04964	1.1
97.02834	0.3
103.05449	0.4
105.03370	0.5
107.01284	0.2
107.04928	0.3
107.61849	0.2
109.02850	1.2
111.00796	2.2
111.04430	0.3
115.05487	0.3
117.06963	0.5
119.04912	0.2
119.08584	0.3
121.02845	2.6
123.04439	1.0
127.03879	0.8
131.04897	0.4
133.06430	0.3
135.04402	0.5
137.02324	8.9
137.03326	0.3
137.05910	0.2
145.02863	0.4
145.06461	1.3
149.02301	0.7
153.01808	11.6
154.02090	0.5
155.04887	0.9
157.06442	0.3
158.08415	0.2
159.04376	0.2
161.05971	0.7
163.03864	1.7
165.00462	0.3
165.01826	4.5
166.02531	0.7
168.28563	0.2
171.02948	0.2
173.05957	1.8
177.01791	0.2
177.05466	0.4
179.03394	0.3
183.02847	1.6
183.04404	0.9
187.03873	1.4
191.03386	0.4
195.02840	0.4
201.05443	5.9
205.04883	0.5
207.02824	0.2
211.03870	0.6
213.05482	0.3
217.05025	0.3
219.06502	1.3
228.04121	0.8
229.04926	10.4
230.05382	0.4
232.03658	0.2
239.03345	0.5
246.05356	0.2
246.91191	0.2
247.05991	1.4
257.04422	5.6
258.05139	0.3
274.04575	1.4
275.05319	0.6
285.03937	2.4
303.04953	100.0
304.05304	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.00291	0.2
53.03917	0.3
55.01857	0.5
55.05497	0.2
57.03421	0.3
65.03941	0.7
67.01860	0.5
67.05479	0.5
68.99777	2.0
69.03415	0.3
69.07076	0.2
69.32426	1.4
71.01345	0.3
79.05473	0.2
80.86504	0.1
81.03407	0.8
81.07033	0.4
91.05466	0.4
93.03381	0.6
93.07001	0.3
95.04963	1.1
95.08574	0.3
97.02869	1.1
97.06525	0.2
97.58995	0.1
98.21445	0.4
101.00274	0.2
103.05442	0.5
105.03378	0.2
105.07008	0.4
107.04993	0.2
107.08590	0.4
107.36131	0.1
109.02874	1.2
110.03667	0.1
111.00790	1.7
111.04379	0.3
115.05425	0.4
117.06998	0.4
119.08574	0.4
120.08079	0.2
121.02843	2.5
121.10146	0.2
122.16340	0.1
123.04388	1.3
127.03892	0.6
127.05419	0.2
127.89215	0.1
128.06227	0.2
129.06931	0.3
131.04848	0.9
133.02859	0.4
133.06413	0.3
133.10104	0.3
135.04382	0.5
135.07983	0.2
137.02322	7.6
137.03413	0.4
137.05925	0.6
139.05469	0.2
145.02795	0.4
145.06479	0.9
145.10080	0.2
147.04369	0.2
147.11627	0.2
149.02312	0.9
149.05948	0.5
151.03853	0.5
153.01805	10.8
153.05350	0.3
154.15851	0.2
155.04904	1.4
157.06459	0.2
159.04446	0.3
161.05956	0.8
163.03883	1.5
165.01819	3.6
165.06960	0.2
166.02597	0.6
169.06468	0.2
171.02820	0.2
171.04436	0.1
171.11618	0.1
173.05975	1.9
176.04561	0.3
177.01880	0.2
177.05450	1.1
179.03351	0.7
183.02859	1.3
183.04411	0.9
183.08003	0.2
185.05959	0.2
187.03848	1.7
191.03365	0.7
191.06990	0.3
192.03888	0.2
195.01224	0.1
195.02882	0.6
197.06075	0.1
200.04651	0.2
201.05426	4.4
202.05891	0.2
203.03331	0.3
204.04187	0.2
205.04956	0.5
207.02905	0.3
209.04468	0.6
211.03935	0.4
211.07513	0.3
213.05464	0.4
214.02660	0.2
214.06026	0.2
215.03310	1.4
216.04141	0.5
217.05066	0.2
218.02095	0.3
219.02843	0.5
219.06490	3.5
219.08499	0.3
223.02356	0.5
228.04079	0.6
229.04933	8.9
229.13423	0.2
230.05098	0.2
232.03503	0.4
233.04462	0.3
239.03276	0.5
242.02106	0.3
243.02852	0.9
243.10075	0.2
245.04352	0.2
247.06004	2.0
253.01288	0.4
257.04388	4.9
257.12784	0.5
258.05014	0.3
259.06033	0.4
260.03189	0.3
270.01416	0.2
271.09631	0.4
274.04703	1.2
275.05411	1.1
285.03925	3.4
285.07422	0.5
285.12195	0.7
286.04544	0.2
303.04944	100.0
303.23187	0.6
304.05276	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
53.78354	0.3
55.01868	0.6
55.05482	0.3
55.75624	0.3
65.03925	0.7
65.32550	0.3
67.05482	0.8
68.99777	2.6
69.03415	0.5
69.07026	0.3
70.87353	0.4
70.87686	0.5
81.03397	0.7
81.07031	0.7
85.55555	0.3
91.05451	0.6
93.03367	0.4
93.07005	0.4
95.04961	0.6
97.02879	2.9
103.05446	0.5
105.07003	0.4
107.01318	0.3
107.04951	0.3
107.08582	0.3
109.02837	0.6
111.00781	1.9
111.04400	0.3
115.05409	0.4
117.07020	0.5
121.02858	2.0
123.04386	0.5
129.40781	0.3
131.04906	0.4
131.08603	0.3
135.04398	0.4
137.01303	0.6
137.02328	8.2
137.03354	0.4
137.05878	0.4
141.11293	0.3
145.02834	0.3
145.06490	1.2
149.02345	1.1
151.03906	0.3
153.01808	10.8
155.04877	1.2
159.04509	0.3
161.05994	0.7
163.03822	1.4
165.01793	3.2
166.02554	0.5
167.07047	0.4
173.05978	2.0
179.03378	0.6
183.02892	1.3
183.04373	1.1
185.07413	0.3
187.03886	1.2
191.03331	0.4
191.07019	0.5
201.05437	4.8
204.04172	0.5
205.05037	0.5
211.03810	0.5
213.05336	0.3
219.06502	9.2
228.04202	0.6
229.04922	10.1
232.03682	0.4
239.03447	0.5
245.04243	0.3
247.06081	1.3
247.08823	0.3
257.04462	4.7
274.04825	1.6
275.05319	0.6
285.03903	2.2
303.04962	100.0
304.05322	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01856	0.3
65.03922	0.4
67.01845	0.4
67.05489	0.3
68.99781	2.2
69.03398	0.2
70.99428	0.3
81.03410	0.7
91.05473	0.1
92.61372	0.1
93.03389	0.8
95.04958	0.9
97.02850	0.2
101.06169	0.1
103.05444	0.1
105.03384	0.2
107.04916	0.2
109.02878	1.3
111.00790	1.8
115.05441	0.3
117.07014	0.2
121.02852	2.5
123.04400	0.7
127.03875	0.5
128.06183	0.1
129.07018	0.1
131.04887	0.5
133.02965	0.1
133.06358	0.1
135.04410	0.5
137.02324	7.5
137.03366	0.4
138.02716	0.2
145.02818	0.3
145.06447	0.7
149.02319	0.9
153.01802	10.3
153.29388	0.1
154.02316	0.1
155.04933	1.2
155.06056	0.2
159.04375	0.4
161.05972	0.6
163.03906	1.1
165.01808	4.0
166.02655	0.6
173.02307	0.2
173.05948	1.6
177.01738	0.2
177.05406	0.2
179.03365	0.3
183.02861	1.6
183.04398	1.1
187.03876	1.0
191.03400	0.2
191.06923	0.1
193.51842	0.1
195.02887	0.5
201.05443	4.6
202.05859	0.1
203.03514	0.2
205.04924	0.5
207.02831	0.3
211.03876	0.4
213.05457	0.3
215.03423	0.2
219.02907	0.3
219.06509	0.6
228.04172	0.6
229.04930	9.7
230.05312	0.2
232.03729	0.2
239.03391	0.5
245.04507	0.1
246.05299	0.2
247.06000	1.2
257.04425	5.4
258.04904	0.3
274.04645	1.4
275.05325	0.3
285.00766	0.1
285.03894	2.5
286.04514	0.2
303.04944	100.0
304.05289	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	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.17610	0.2
55.01865	0.3
57.01785	0.3
65.03925	0.3
67.01853	0.4
68.99780	2.7
70.65187	0.7
81.03391	1.2
82.50561	0.3
93.03394	0.6
95.04941	1.0
109.02853	1.1
111.00805	2.0
114.06961	0.3
117.06984	0.3
121.02855	2.4
123.04404	0.6
127.03898	0.8
129.07039	0.4
131.04892	0.5
133.06445	0.3
135.04369	0.5
137.02327	8.4
137.03363	0.7
145.02864	0.4
145.06522	0.7
149.02281	0.8
153.01807	10.8
154.02147	0.3
155.04944	1.2
155.06003	0.3
157.06583	0.3
159.04413	0.4
161.05948	1.1
163.03893	1.5
165.01845	3.0
166.02596	0.7
173.05919	1.7
177.05449	0.4
179.03368	0.5
183.02885	1.6
183.04404	0.9
187.03885	0.8
191.03409	0.5
201.05444	4.9
201.07137	0.5
205.04910	0.4
207.02876	0.3
219.06409	0.6
228.04126	0.3
229.04942	9.5
230.05246	0.4
239.03258	0.4
247.05994	1.5
257.04404	5.1
258.04944	0.4
274.04648	1.1
285.03986	2.0
303.04947	100.0
304.05237	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	303.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.9
69.76789	3.4
85.32214	0.5
98.97549	2.1
101.00897	0.7
116.98593	1.5
119.01900	8.6
120.01998	0.7
134.99663	1.7
137.02934	3.2
153.00870	0.6
158.99821	0.9
167.06934	0.5
177.00931	14.4
178.01045	3.7
179.00684	2.2
180.00821	0.8
182.99904	0.6
185.64560	0.5
201.00937	1.7
203.00580	0.6
217.04018	2.6
218.03781	1.9
219.01981	26.3
219.03575	1.0
220.02068	6.6
221.01738	8.6
222.01897	2.1
223.34911	0.6
225.00955	1.9
226.01096	0.9
235.00153	0.5
242.03564	0.6
243.01915	8.0
243.04099	0.7
244.02151	2.3
261.03021	100.0
262.03156	29.2
263.02853	5.0
279.00534	1.1
279.06110	0.8
284.04562	5.1
284.99829	2.5
285.04581	2.2
301.01022	1.5
303.00839	3.2
303.05649	6.7
304.00528	0.7
320.98035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
61.31039	0.3
62.29455	0.2
65.03921	0.4
67.01840	0.2
67.05482	0.3
68.99784	2.2
69.76585	1.5
81.03421	0.5
87.62828	0.2
91.05470	0.3
93.03394	0.6
95.04944	0.7
96.71329	0.2
97.02863	0.5
103.67225	0.2
105.07030	0.3
109.02843	0.8
111.00783	1.9
115.05419	0.4
117.06976	0.4
121.02850	1.5
123.04401	0.7
123.20739	0.2
127.03891	0.6
131.04906	0.3
135.04391	0.4
137.02328	7.2
137.03352	0.4
145.02791	0.4
145.06444	0.7
149.02315	0.7
153.01802	9.3
154.02144	0.2
155.04863	1.1
159.04306	0.3
161.05968	0.7
163.03922	1.1
165.01819	3.6
166.02551	0.6
173.05986	1.3
177.02025	0.2
179.03328	0.3
183.02864	1.9
183.04457	0.7
187.03848	0.5
191.03433	0.5
191.06961	0.3
195.02837	0.5
201.05449	4.1
205.04860	0.4
211.03857	0.5
219.06543	1.6
228.04225	0.9
229.04932	9.0
230.05251	0.3
239.03568	0.5
246.05193	0.4
247.05917	0.9
257.04422	5.1
257.12827	0.6
274.04626	1.4
275.05405	0.4
285.03876	2.2
285.07135	0.4
285.12317	0.3
286.04547	0.2
303.04944	100.0
304.05264	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01852	1.2
55.05496	1.7
56.05019	0.8
57.03404	1.8
58.06613	0.7
61.02911	1.4
65.03920	0.8
66.63247	0.8
67.01865	1.1
67.05488	3.4
68.99781	2.6
69.03426	5.2
70.06567	2.6
71.59800	0.8
71.60255	1.5
72.08153	6.7
73.02904	1.2
79.05470	2.7
81.03392	3.6
81.07062	3.8
84.08104	1.1
85.02893	29.8
86.03175	0.8
86.09670	3.0
91.05466	2.3
93.03404	1.0
93.07014	0.9
94.06558	1.2
95.01342	0.8
95.04955	3.3
97.02882	14.7
97.06517	1.1
98.06079	0.8
99.04427	1.0
103.03919	2.4
103.05462	1.1
105.07010	1.1
107.04945	2.1
108.08112	4.8
109.02860	7.1
110.06031	1.1
111.00792	1.1
111.03667	0.8
113.97093	0.8
121.02847	3.0
121.06482	1.1
122.02363	1.3
122.06021	2.1
123.04403	1.6
125.05990	2.7
126.05488	2.2
126.09132	1.3
127.03879	7.1
133.02834	1.3
136.07547	6.9
137.02298	7.8
137.05945	1.8
138.06342	1.0
140.03403	3.1
140.06032	1.3
140.07056	17.0
141.06956	0.9
143.11806	2.9
145.04948	3.4
145.06509	0.9
147.04373	2.4
149.02325	1.4
149.05952	1.3
150.06308	0.9
150.09090	1.8
152.07004	7.0
153.01828	11.2
154.08591	2.2
155.04930	1.0
161.05971	1.7
162.05418	1.7
163.03871	1.5
164.07051	6.5
165.01794	4.2
165.07104	0.8
166.02499	0.9
167.06978	1.4
171.11314	1.3
173.05974	2.5
177.05424	1.8
178.08578	5.3
182.08107	29.4
183.02992	1.4
183.04414	1.8
187.03941	0.9
201.05417	5.1
206.08107	14.0
211.03932	0.9
213.05299	0.9
214.05826	1.1
215.07050	1.5
218.08052	1.4
219.06523	2.1
225.88405	0.8
228.04155	1.2
229.04953	8.9
229.08653	1.3
236.09154	0.9
242.05309	0.9
247.05933	1.5
248.09116	3.0
257.04324	5.8
257.08075	2.0
257.12827	0.8
258.11139	1.0
267.11301	1.3
270.04715	0.9
274.04535	2.3
284.09985	1.4
285.03873	3.5
285.12244	2.9
287.04797	1.2
302.04257	1.9
302.07428	5.0
302.10651	1.4
303.04962	100.0
303.13419	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01855	1.7
57.03417	1.9
65.03915	0.6
67.05487	1.0
69.03413	0.7
69.07040	0.6
70.06566	1.2
71.65945	0.9
78.04687	2.0
79.05480	2.3
79.30001	0.5
80.46240	0.5
81.03384	0.6
81.07047	1.0
84.08158	0.5
84.13216	0.5
85.02889	0.6
86.09691	1.7
89.03888	1.1
91.05476	6.8
92.05758	0.4
93.07021	3.7
94.04168	0.4
95.04955	2.5
95.08587	1.2
97.02905	0.5
103.05453	6.3
105.03365	0.5
105.06991	1.4
106.04169	1.2
107.04942	4.3
109.02815	0.6
109.06486	1.1
109.10148	0.5
115.05432	1.5
117.03374	1.7
117.06957	1.0
118.04114	0.5
119.04926	1.8
121.06489	14.1
122.03587	0.7
123.04411	4.8
124.05197	2.2
128.06197	0.7
129.07042	1.1
131.04903	6.8
133.02847	1.5
134.03587	1.6
135.04399	2.3
136.85460	0.5
137.02344	1.2
137.05940	9.9
138.81868	0.4
139.05461	0.6
139.07518	0.9
140.03654	0.4
140.04662	2.8
141.01762	0.4
141.06975	1.8
143.04916	1.9
143.08501	0.6
145.02838	1.0
145.06459	1.1
147.04372	2.0
148.05167	5.2
149.05952	15.9
150.06398	0.5
151.03862	1.8
152.04663	1.5
152.06169	1.6
153.05435	4.1
153.06903	1.4
155.07030	2.7
157.06487	2.2
159.04385	5.5
159.11755	0.7
161.05943	6.8
162.03076	0.8
162.06657	0.8
163.03876	1.2
163.07423	0.6
165.01831	2.0
165.05440	1.4
165.06981	1.8
166.06398	1.0
166.07777	1.8
167.07019	100.0
168.06020	0.5
168.07259	2.5
169.06474	3.1
170.33742	0.5
173.05925	2.9
175.07561	3.5
176.04736	0.5
177.05447	38.4
178.05733	1.3
178.07805	0.6
180.05670	0.5
181.06508	1.8
181.08540	1.0
181.10114	4.0
182.05730	1.5
183.02869	2.5
183.06294	0.5
183.07906	0.8
185.06000	3.6
187.03879	0.7
187.07526	2.7
188.16321	0.5
189.05399	0.7
190.09860	9.2
191.06987	2.0
191.08557	2.1
191.10080	0.5
194.05708	1.3
194.07272	0.9
195.04536	0.8
195.06580	0.8
195.08049	4.2
196.05093	0.6
197.05975	2.2
198.06633	1.0
199.07489	1.2
200.08244	0.8
201.05438	1.0
201.08983	1.1
209.05981	1.0
209.08066	20.6
209.09662	5.2
211.07471	1.1
211.11093	0.7
212.08266	1.0
213.05461	5.3
213.08975	5.1
214.09677	0.8
215.03468	2.3
215.07056	1.0
215.10655	2.3
217.04945	1.2
219.08014	2.3
223.03876	4.0
223.07492	1.3
225.07428	2.5
226.06244	1.3
227.09076	14.2
227.10721	11.2
229.04967	1.1
229.12212	1.6
231.06441	0.7
233.04402	1.0
237.05478	0.8
237.09085	5.9
237.11305	0.8
240.07573	0.6
241.04935	6.3
241.08501	3.6
255.06686	1.1
255.10153	7.7
256.10828	0.6
258.05338	0.7
259.06015	6.7
259.09689	1.0
265.08539	5.4
273.04010	0.6
273.11218	2.3
283.09583	14.0
286.04749	0.7
301.03656	0.8
301.07047	6.5
301.10773	6.1
302.07336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01860	1.8
57.03418	2.0
65.03931	0.8
66.17456	0.5
66.82075	0.5
67.05483	0.8
68.99784	0.9
69.03422	1.2
70.06584	0.8
71.60110	0.7
71.60486	0.6
72.08126	0.7
73.02905	0.5
77.03914	0.5
78.04699	1.6
79.05494	2.4
79.35167	0.5
81.03407	0.5
81.07041	1.1
81.45299	0.4
84.04482	0.5
85.60056	0.5
86.09692	1.2
87.25613	0.4
89.03900	1.3
91.05463	7.3
93.07041	3.3
95.04944	3.2
95.08580	0.8
97.02876	0.8
103.05450	7.7
105.03412	0.7
105.07001	0.7
106.04142	2.1
107.04960	3.4
109.02851	0.5
109.06499	1.6
110.66112	0.5
115.05447	1.3
117.03354	1.5
117.06978	0.9
119.04929	1.7
119.08671	0.4
121.06488	13.5
122.03682	0.8
123.04440	5.1
124.05208	2.3
128.06133	0.7
129.06995	0.9
130.04160	0.7
131.04926	7.1
133.02835	1.8
133.06477	0.9
134.03630	2.5
135.04381	1.4
136.05217	0.5
137.02310	1.3
137.05954	9.3
139.05344	0.7
139.85129	0.5
140.04672	3.2
141.06984	1.8
143.04858	2.6
145.02826	1.3
145.06425	1.2
147.04376	2.0
148.05154	5.7
149.05965	16.3
150.06291	0.5
151.03920	2.4
151.11104	0.5
152.04700	1.4
152.06172	1.1
153.01845	0.9
153.05446	3.1
153.06973	1.6
155.06996	3.3
157.06494	1.9
159.04378	4.7
161.05965	6.2
162.03064	0.5
163.03903	1.3
163.07558	1.5
165.01834	3.0
165.05467	1.9
165.06976	1.8
166.06194	1.0
166.07719	1.5
167.07027	100.0
168.05948	0.5
168.07346	2.4
169.06447	2.3
173.05972	2.8
175.07547	3.5
176.04678	1.3
177.05452	39.8
178.05867	1.1
178.07774	0.8
179.03511	0.6
179.07031	0.7
181.06383	2.4
181.08615	0.9
181.10039	3.4
182.05722	2.2
183.02832	2.8
183.07970	0.7
185.05963	3.9
185.09470	0.7
186.06715	0.7
186.41881	0.5
187.03819	0.7
187.07516	2.9
190.09886	9.8
191.06989	1.5
191.08521	1.9
193.04938	0.6
194.05727	1.1
194.07295	0.8
195.04796	0.5
195.06462	1.2
195.08054	3.6
197.05994	1.7
198.06679	0.9
199.07516	1.4
200.08342	1.2
201.09151	1.0
203.03185	0.6
209.05966	1.3
209.07986	23.2
209.09653	4.1
210.08392	0.8
211.07547	1.4
212.08278	0.8
213.05548	4.1
213.09062	5.0
215.03363	2.4
215.06932	0.9
215.10701	3.4
217.04996	0.9
219.08099	1.4
223.03918	3.7
223.07458	1.3
225.07550	2.0
226.06126	1.0
227.07021	1.1
227.09084	15.0
227.10727	11.3
229.04916	1.1
229.12234	1.6
231.06534	1.2
233.04480	1.0
237.05475	0.7
237.09087	5.1
238.09523	0.9
239.07118	0.7
239.10657	0.6
241.04938	6.9
241.08591	4.3
254.05621	0.9
255.06261	0.7
255.10075	8.5
258.05319	0.9
259.05969	6.2
259.08932	0.7
259.09714	0.6
265.08640	5.6
266.08780	0.8
269.04535	0.9
273.03992	0.5
273.11124	3.6
283.09595	15.5
284.09872	0.9
286.04654	1.6
301.03525	1.4
301.07059	10.8
301.10797	7.1
301.21500	0.8
302.07419	0.8
302.10785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan
Peak:m/z	Relative Intensity
51.25592	0.2
51.31270	0.2
53.03941	0.3
55.01871	0.7
56.88572	0.2
62.01825	0.2
65.03936	0.6
66.04705	0.2
67.05499	4.2
68.99780	0.2
69.76443	0.7
69.76863	0.5
71.88590	0.2
74.90214	0.2
79.05486	0.8
81.07053	0.5
90.38627	0.2
91.05441	0.9
95.04958	7.3
95.08563	0.2
98.20781	0.3
105.07037	0.4
107.04955	0.5
109.06506	2.5
119.04915	0.5
121.06480	0.6
123.04414	100.0
124.04740	1.3
135.04424	0.6
135.08044	0.5
135.70221	0.2
137.05969	1.5
139.07559	0.5
141.13252	0.2
147.04391	11.7
148.04839	0.3
151.07489	1.0
153.01828	0.4
153.05420	0.4
155.07001	2.0
161.05971	0.4
163.03882	0.9
163.07552	0.2
167.07024	16.8
168.07404	0.2
171.11581	0.2
179.07025	4.0
191.06990	1.2
192.07680	0.3
201.16682	0.2
207.06479	0.5
241.08682	0.2
269.08047	0.5
273.11258	0.6
286.04785	0.4
301.07056	1.6
301.10617	11.2
302.10931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67315	1.0
54.37303	0.9
55.01850	2.6
57.03415	2.4
67.05478	1.2
68.99764	1.8
69.03419	2.0
69.07042	1.1
70.06573	1.4
70.23526	3.7
79.05465	3.6
80.95234	1.1
81.07030	1.3
83.04936	1.2
84.08128	1.4
86.09692	1.4
91.05457	5.7
93.07024	2.9
95.04939	1.4
97.06476	1.1
102.04665	1.0
103.05459	5.4
103.79401	1.0
105.06993	3.0
107.04929	3.2
107.08583	1.5
115.05432	7.6
117.06969	4.1
119.04883	1.0
121.02859	1.2
121.06498	8.1
121.10059	1.4
123.04409	3.5
125.02349	1.1
128.06174	2.9
129.06973	7.4
130.04103	3.6
131.04898	6.4
131.08577	2.0
133.06482	1.2
134.03630	1.2
137.02319	1.1
137.05937	6.6
139.05373	2.4
139.07492	1.1
140.04634	2.3
141.06970	10.4
143.04906	13.1
143.08572	2.0
144.05641	1.5
145.06483	5.6
147.04265	2.4
148.05161	23.6
149.05957	9.2
151.03830	1.9
152.06190	7.3
153.05554	1.9
153.06947	9.2
155.07068	1.2
157.06493	10.3
159.04408	4.5
159.07983	2.9
161.05954	35.9
162.06798	5.3
165.01825	2.4
165.05585	2.0
165.06937	10.8
166.07741	10.2
167.04987	5.3
167.06998	51.4
167.08513	16.0
168.09283	1.3
169.06459	13.8
169.10159	1.3
170.07092	1.5
171.04416	1.3
171.07980	2.5
172.08830	1.9
173.05972	14.6
175.07520	22.9
176.06206	1.4
177.05457	22.2
177.06961	2.3
178.07658	1.9
179.08559	1.4
180.05624	3.1
181.06454	11.1
181.10057	20.7
182.07239	2.0
183.02809	1.2
183.08002	2.6
184.05142	1.2
185.05945	21.6
185.09547	1.7
186.06721	4.7
187.03845	4.6
187.07507	16.8
188.08319	1.3
189.05460	3.9
189.08757	1.2
190.08032	2.3
190.09851	69.7
191.06912	1.3
191.08540	13.0
191.10196	2.2
193.06438	2.3
193.10098	3.2
194.05730	1.1
194.07260	7.4
195.04346	4.6
195.08044	23.8
197.05978	11.4
197.09546	1.5
198.06689	4.6
199.07494	8.4
199.11151	2.2
200.08301	6.4
201.05495	2.9
201.09055	6.3
205.04788	1.3
205.06485	3.4
208.05173	1.8
209.05919	1.9
209.07964	8.3
209.09590	38.0
210.06689	2.2
210.09976	2.1
211.07457	6.2
211.11208	2.7
212.08287	4.6
213.05475	28.7
213.09029	36.8
214.06097	1.9
214.09769	3.7
215.03397	15.0
215.06921	5.5
215.10617	17.1
217.04929	5.9
218.07294	1.4
219.08026	13.0
221.05920	1.5
221.09618	2.6
222.06691	2.3
223.03867	28.3
223.07404	8.8
224.08302	2.7
225.05388	2.0
225.07329	1.9
226.06197	7.7
227.06964	4.3
227.10686	97.1
228.10991	2.9
229.04968	6.8
229.12213	9.3
231.06450	6.8
233.04370	8.4
236.04715	2.6
237.05502	1.9
237.09064	40.0
238.09700	3.7
239.07040	4.2
239.10521	3.3
240.07799	2.1
241.04904	40.9
241.08562	26.9
242.05385	1.7
245.08046	1.6
247.07524	2.6
250.06233	1.4
255.06461	2.3
255.10109	54.2
256.10580	1.5
259.05972	44.9
259.09573	5.4
265.08557	37.2
268.07376	1.3
273.08099	2.2
273.11145	21.2
283.09598	100.0
284.09927	4.3
286.04688	1.9
301.03366	2.9
301.07022	10.5
301.10703	30.7
301.16064	1.2
301.21490	1.6
302.11014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
55.05492	0.4
57.03430	0.3
64.83371	0.2
65.03920	1.0
67.05490	0.5
68.99765	0.3
69.64522	1.1
69.64941	0.7
77.03927	0.3
79.05480	0.6
81.03392	0.8
81.07020	0.3
83.04939	0.2
91.05441	0.8
91.51740	0.3
92.02618	2.0
93.03390	3.6
93.07021	0.7
95.04958	0.5
96.71673	0.2
98.21465	0.4
105.03381	0.4
107.04939	0.7
110.03629	0.6
111.04417	0.5
115.05489	0.4
121.02853	2.3
121.10110	0.4
123.04411	0.6
128.06187	0.3
129.06956	0.3
131.04910	0.5
133.02821	0.6
135.04399	0.5
137.02315	23.8
138.02638	0.3
141.06932	0.4
145.06511	0.3
145.10130	0.3
147.04381	0.6
149.02315	0.7
150.03096	1.8
151.03868	0.7
153.01698	0.3
154.48341	0.3
157.05235	0.3
157.06461	2.2
160.05144	0.3
163.03882	0.4
163.11099	0.6
169.06487	0.4
171.04372	0.4
173.05965	0.5
181.06479	0.3
184.05199	0.6
185.05951	2.3
187.03893	3.0
188.04686	1.3
189.05438	2.2
191.03358	0.3
193.04924	0.3
197.05992	1.6
199.03914	0.6
201.05426	3.0
202.06233	1.4
203.03334	1.0
212.04640	2.9
213.05434	15.6
214.05861	0.7
215.03342	1.2
216.04179	0.7
217.04944	0.8
221.14403	0.3
225.05580	0.5
227.07040	0.5
229.04906	4.2
230.05702	5.5
231.02809	0.3
231.06181	0.6
240.04173	0.4
241.04910	8.2
242.05380	0.3
244.03656	1.0
245.04379	0.5
245.08017	0.7
255.06471	0.5
257.04391	2.6
258.05200	6.8
268.03653	1.6
269.04398	6.8
273.03818	0.5
273.07666	0.4
283.05905	0.3
285.03860	1.0
286.04675	24.4
287.05072	0.7
301.07016	100.0
302.07349	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	301.0701
Annotation	Koparin
Peak:m/z	Relative Intensity
52.08558	0.3
60.67344	0.3
65.03926	0.9
67.05489	0.3
70.82791	0.6
79.05475	0.5
81.03389	0.5
91.05461	0.4
92.02607	1.6
93.03402	2.5
93.07016	0.4
107.04931	0.5
111.04364	0.4
116.85285	0.2
121.02839	2.2
121.10151	0.5
123.04377	0.5
125.06014	0.3
128.06175	0.3
133.02832	0.5
135.04341	0.4
136.09959	0.3
137.02322	21.2
139.03838	0.4
141.06963	0.4
145.10109	0.3
147.04448	0.4
149.02321	1.3
150.03122	1.2
151.03880	0.9
153.01790	0.4
157.06474	1.7
162.03214	0.3
163.03891	0.5
167.03505	0.4
171.04492	0.4
173.05940	0.4
174.06750	0.3
178.61641	0.3
184.05193	0.5
185.05942	1.9
187.03899	2.3
188.04585	0.8
189.05452	1.8
191.10707	0.3
193.04962	0.4
197.05969	1.2
199.03790	0.4
201.05417	2.1
202.06171	0.9
203.03349	1.1
212.04672	2.2
213.05441	11.6
214.05852	0.5
215.03378	0.6
216.04196	0.4
217.04967	1.0
225.05388	0.5
226.20352	0.3
227.07074	0.4
229.04878	3.3
230.05692	4.4
231.02859	0.6
231.06366	0.4
240.04243	0.5
241.04918	7.5
244.03665	1.1
245.04388	0.4
245.08078	1.4
255.06514	0.9
257.04391	2.5
258.05197	6.8
268.03513	1.3
269.04416	6.2
273.03879	0.8
283.05905	0.4
285.03824	0.9
286.04675	23.1
287.05060	0.7
301.07022	100.0
302.04074	0.5
302.07333	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	301.0702
Annotation	Koparin
Peak:m/z	Relative Intensity
70.31025	0.3
89.03912	0.6
93.06996	0.5
96.78548	0.4
98.20663	0.6
107.08566	0.4
123.00774	1.0
124.01537	1.8
128.06195	0.7
129.06987	2.4
134.03615	4.5
137.02298	1.5
139.05394	1.2
147.04436	0.4
149.05977	0.4
152.01025	12.6
153.01813	8.8
156.05753	0.3
157.06485	1.9
167.03641	0.4
167.04935	1.2
170.02069	4.8
174.06750	0.9
175.03938	0.9
184.05188	2.1
185.05939	4.1
195.04364	0.8
201.05464	0.6
202.06209	2.6
212.04631	3.1
213.05466	4.4
223.03833	0.7
227.07054	0.8
229.04924	6.5
230.05695	4.9
240.04134	1.2
241.04924	12.7
242.05338	1.0
245.08084	3.5
255.06538	0.8
256.67249	0.3
257.04291	0.4
258.05139	1.8
269.04434	8.8
270.04666	0.6
273.04120	0.3
285.03918	3.7
286.01389	0.6
286.04681	21.8
301.07025	100.0
302.07285	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	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.30670	0.4
55.01874	0.5
55.05501	0.6
65.03925	0.8
67.05476	1.3
68.99780	1.8
69.03406	0.8
69.07052	1.2
78.04686	0.4
79.05481	1.9
81.03386	0.5
81.07043	1.7
84.08118	0.6
91.05459	2.5
93.07020	1.1
95.04964	1.2
95.08573	1.1
97.02909	0.8
97.06512	1.9
105.03381	0.9
105.07002	1.8
107.04939	1.8
107.08582	1.1
109.10128	1.4
111.04403	0.4
115.05463	0.9
117.07030	0.7
119.04932	1.6
119.08556	1.5
121.02869	3.2
121.06499	4.1
123.04423	5.4
123.11636	0.4
127.03945	0.4
128.06204	1.0
129.06976	0.6
131.04900	0.7
131.08542	0.8
131.71886	0.4
133.02820	0.8
133.10097	1.4
134.03600	1.6
135.04257	0.8
137.02322	4.1
137.05971	2.6
141.06937	0.7
143.04849	0.5
145.06433	1.4
145.10100	1.4
145.64320	0.4
147.04385	1.4
147.11653	0.8
148.05133	0.9
149.02312	8.3
149.05927	1.3
151.03886	1.9
153.01807	18.3
153.06985	0.5
154.02278	0.5
155.08536	0.5
157.06464	3.0
159.08054	0.7
159.11693	0.9
160.04968	0.5
161.02391	0.4
161.05968	1.0
163.03902	1.8
163.11185	0.5
164.04613	0.7
165.01857	0.8
165.05527	0.5
165.06985	0.7
167.03387	2.7
167.07092	0.7
168.32993	0.4
171.04369	1.4
171.07991	0.8
173.05899	0.6
173.09543	0.5
173.13243	0.8
175.03909	3.1
175.07518	0.9
176.04659	0.6
177.05475	1.2
179.03386	0.8
181.06464	0.6
184.05197	2.8
185.05972	4.3
187.03868	1.6
189.05405	2.0
189.09065	0.5
191.03447	0.6
197.05931	1.0
198.06734	0.5
199.03860	0.7
201.05423	1.2
201.16348	0.4
202.06174	0.8
203.03427	0.6
203.06955	2.0
212.04636	3.1
213.05431	9.9
214.06075	0.5
216.04198	1.1
217.04929	1.3
217.08600	0.7
226.06189	0.6
227.07045	1.5
229.04953	3.9
230.05714	2.5
231.06468	3.7
240.04155	1.3
241.04919	21.5
241.08615	0.8
242.05426	1.0
243.02794	0.6
245.08070	24.3
246.08418	0.8
252.04175	0.6
255.06390	1.2
257.04413	1.4
258.05106	3.8
268.03659	2.7
269.04337	4.8
269.07333	0.6
272.06732	1.7
273.04446	0.4
273.07495	11.1
283.05899	2.2
283.13510	0.5
283.17111	0.5
283.20413	0.9
284.06284	1.5
286.04663	5.5
301.07016	100.0
301.10095	4.0
301.21710	3.0
302.07300	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	301.0703
Annotation	Koparin
Peak:m/z	Relative Intensity
51.34513	0.3
55.01842	0.6
58.01155	0.3
67.05502	2.1
68.99770	1.4
69.03485	0.4
69.07050	0.9
70.03424	0.7
70.03834	1.8
74.35178	0.4
76.84930	0.4
79.05480	1.3
81.07037	1.5
82.14189	0.4
83.04976	0.4
91.05463	1.7
93.07017	1.7
94.56926	0.3
95.04927	1.2
95.08598	0.8
96.24095	0.4
97.06507	2.5
102.14280	0.5
103.05428	0.5
105.03392	0.5
105.06994	1.1
107.04953	0.9
107.08549	1.1
109.06522	0.6
109.10101	0.8
110.75987	0.5
115.05376	0.6
117.07011	0.7
119.04929	0.9
119.08587	0.8
121.02842	0.7
121.06501	2.0
121.10131	0.5
123.04408	17.3
123.27214	0.3
124.01575	1.4
128.06223	0.7
129.06932	0.4
131.08534	1.0
133.10147	0.9
134.03609	19.5
135.03922	0.4
137.02310	0.8
137.05988	1.0
138.03171	0.4
139.03867	1.0
141.06969	0.4
143.08568	0.5
144.05431	0.4
145.06505	0.7
145.10092	0.8
147.04370	1.7
147.11626	0.5
149.02318	3.8
149.05969	1.2
151.03859	1.4
152.01016	0.5
152.06212	0.5
153.01801	23.2
153.06985	0.7
157.06433	0.9
159.11687	0.6
161.05959	0.9
163.03885	1.0
163.11134	0.5
165.06982	0.5
167.07072	1.8
170.02051	1.5
171.04381	0.6
175.03894	1.0
175.07550	1.0
177.05432	0.6
179.03378	2.8
179.10680	0.6
181.04993	0.5
181.06458	0.9
184.05154	0.4
185.05968	0.8
189.05402	0.8
190.09785	0.6
190.29823	0.4
191.07002	0.6
197.05843	0.5
198.06558	0.6
199.07588	0.5
201.05402	0.5
203.03392	1.3
205.04932	0.9
205.08412	0.5
207.06375	0.4
209.05951	0.4
209.09669	0.4
211.07452	0.5
213.05440	2.2
217.04912	2.6
217.15739	0.4
226.06284	0.5
229.04912	1.6
230.05614	0.6
231.02931	0.7
231.06639	0.5
240.04198	1.0
241.04951	5.7
241.08591	0.8
245.04407	0.7
245.08087	3.7
255.06586	0.9
257.04437	0.6
257.08081	1.2
258.05228	1.5
259.05902	0.6
268.03683	1.9
269.04443	8.2
269.07690	0.7
270.04520	0.4
273.04202	0.7
273.07568	1.7
283.06039	0.7
285.03864	5.0
286.04681	9.5
286.07864	0.8
301.07013	100.0
301.21625	1.3
302.07230	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	301.0702
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
53.03951	0.3
55.23760	0.2
55.46008	0.2
57.03423	0.6
68.99770	0.7
74.46684	0.2
81.03405	1.1
81.07063	0.2
95.08595	0.4
98.21465	0.6
103.05457	0.3
105.03413	1.2
105.07015	0.2
111.04440	0.6
115.05425	0.7
119.04897	0.3
121.02870	0.7
123.04427	0.6
128.06218	0.7
129.06984	0.7
132.06859	0.2
133.02852	1.1
134.03624	1.8
135.04385	1.0
137.02319	20.9
137.05882	0.3
138.02664	0.6
139.03891	0.7
139.05411	0.6
141.06987	1.1
145.06508	0.4
147.04362	1.6
149.02316	1.4
150.03099	3.5
151.03864	0.3
153.01820	2.8
157.05156	0.4
157.06468	5.7
160.05183	0.5
163.03889	0.4
164.04668	0.4
164.33258	0.2
169.06444	0.7
171.04350	1.2
173.05968	0.3
175.03879	0.8
176.04553	0.3
181.06531	0.3
184.05293	0.4
185.05966	2.7
187.03893	4.5
188.04643	3.9
189.05444	6.5
191.03392	1.0
192.04108	0.2
193.04951	1.4
194.02081	0.5
197.05937	5.0
199.03830	1.7
200.04578	0.5
201.05435	0.7
202.06223	0.3
203.03387	1.0
205.05006	0.5
211.07437	0.2
212.04625	1.4
213.05441	33.2
214.05888	1.3
215.03349	1.8
216.04053	0.6
217.04962	2.4
220.03743	0.4
225.05460	1.3
227.03377	0.5
227.06941	0.6
229.04913	0.9
229.53146	0.3
230.05684	0.6
231.02939	1.1
231.06461	1.5
240.04163	0.7
241.04924	22.9
242.05316	0.9
245.04398	0.4
245.08073	2.3
253.04951	0.6
255.06548	1.4
257.04401	0.5
258.05164	0.9
259.59756	0.3
264.44135	0.2
268.03638	2.9
268.35251	0.3
269.04413	9.3
270.04858	0.7
273.03903	1.0
273.07553	1.5
283.05893	0.7
285.03833	0.6
286.04672	15.2
287.05124	0.6
301.07010	100.0
302.04095	0.5
302.07364	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	301.0702
Annotation	Koparin
Peak:m/z	Relative Intensity
64.31256	0.6
67.13265	0.4
68.99750	0.6
71.33540	1.1
89.03897	1.2
117.03365	0.7
123.00771	1.1
124.01550	1.3
131.04874	0.8
134.03606	7.4
135.09755	0.5
140.01752	0.5
149.02281	1.0
152.00992	1.2
153.01804	14.1
157.06429	1.5
170.02069	1.8
171.04333	0.6
185.06038	1.2
199.03862	1.5
201.05420	1.4
202.06139	1.4
203.62065	0.5
213.05438	5.4
214.05904	0.6
229.04933	15.6
230.05696	5.0
241.04913	17.8
245.08072	1.7
257.04422	0.9
258.05200	1.9
268.03683	0.5
269.04428	21.1
270.04825	1.4
285.03967	3.6
286.04675	25.0
287.05206	0.9
301.07022	100.0
302.07394	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	301.0702
Annotation	Koparin
Peak:m/z	Relative Intensity
53.73843	0.1
55.01875	0.2
67.01833	0.2
68.99783	1.0
69.69012	0.8
81.07033	0.2
83.78698	0.1
89.03895	0.7
90.74001	0.1
91.05477	0.2
95.01285	0.3
95.04924	0.2
95.73938	0.1
97.06467	0.2
103.05432	0.4
105.03374	0.1
111.00796	0.4
115.05410	0.4
117.03349	0.3
117.06980	0.3
121.02854	0.2
121.06509	0.3
123.00779	1.3
123.04396	0.4
124.00752	0.2
124.01559	1.6
128.06174	0.3
129.06958	0.6
131.04919	1.1
133.02821	0.2
134.03616	6.8
135.04312	0.2
137.02319	0.2
137.47598	0.1
141.06985	0.4
143.04872	0.2
145.06441	0.6
147.04393	0.3
147.41978	0.2
149.02348	1.1
149.05942	0.2
152.01035	1.6
153.01811	16.3
154.02158	0.3
155.04922	0.3
157.02866	0.3
157.06474	1.2
159.04402	0.2
159.11691	0.2
161.02298	0.5
161.06017	0.1
169.06461	0.2
170.02089	2.0
171.04353	0.7
173.05965	0.3
174.06798	0.4
175.03929	0.8
184.05110	0.2
185.05937	1.1
187.03902	0.7
197.06007	0.7
199.03868	1.5
201.05452	0.9
202.06216	1.7
203.03351	0.3
212.04649	0.5
213.05443	4.9
214.05803	0.2
217.04973	0.2
227.03432	0.2
229.04935	15.0
230.05692	5.9
231.06270	0.2
240.04195	0.3
241.04929	19.1
242.05344	0.7
244.03743	0.2
245.08075	1.5
257.04337	0.7
258.05194	1.9
268.03641	0.3
269.04416	16.4
270.04865	0.6
273.07626	0.9
283.05832	0.2
285.03897	2.8
286.04688	25.7
287.05112	1.1
294.96881	0.1
301.07025	100.0
302.07367	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	301.0702
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.98572	0.2
53.16303	0.2
57.84042	0.2
65.03918	1.0
68.97707	0.2
70.74639	0.7
71.09395	0.2
79.05461	0.3
81.03402	0.4
81.07011	0.2
91.05455	0.4
92.02602	2.3
93.03392	3.4
94.04185	0.2
107.08512	0.2
107.11505	0.2
107.55801	0.2
110.03577	0.5
121.02839	3.4
122.03608	0.3
123.04382	1.1
129.06996	0.4
135.04369	0.3
137.02319	21.2
148.05209	0.4
149.02298	1.1
150.03053	0.4
151.03859	0.8
156.08102	0.2
157.06461	1.1
158.09653	0.6
161.05943	0.7
163.03889	0.6
168.08054	0.5
169.06287	0.2
171.04353	0.2
173.06013	0.4
173.07896	0.2
174.06778	0.3
175.07524	0.3
176.04660	0.2
181.10117	0.2
184.05144	0.3
185.05934	1.9
187.03877	2.0
188.04630	0.5
189.05424	0.3
190.09839	0.6
197.06018	0.5
201.05470	3.1
202.06187	1.8
203.03339	0.9
209.09598	0.2
212.04663	3.2
213.05441	7.3
213.08798	0.3
214.05916	0.3
215.03378	0.7
216.04105	0.5
217.04951	0.4
223.03864	0.3
227.07056	0.4
227.10559	0.6
229.02783	0.4
229.04939	4.6
230.05698	5.8
231.02879	0.3
231.06337	0.3
240.04106	0.4
241.04921	4.6
241.08636	0.4
242.05362	0.3
244.03653	1.1
245.04385	0.3
245.07997	0.6
255.06537	0.3
255.10150	0.5
257.04449	2.9
258.05209	8.8
259.05820	0.7
268.03613	1.3
269.04413	8.3
270.05029	0.3
271.02319	0.4
283.09735	0.6
285.03848	1.0
286.04675	26.4
287.05014	0.9
301.07022	100.0
302.07364	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	301.0701
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
58.27169	0.5
68.99789	2.5
69.26062	5.1
70.06621	0.4
70.81895	0.4
72.44997	0.4
82.00529	0.5
86.72481	0.4
95.50705	0.4
105.03384	0.6
107.01267	0.6
107.04893	0.7
115.05428	0.6
119.04859	0.5
121.02827	1.8
123.04395	0.5
126.09587	0.4
134.03607	4.1
137.02283	1.7
139.05406	0.9
147.04338	1.3
149.02322	6.1
150.03052	1.2
152.00995	0.8
153.01805	22.3
157.06447	0.8
167.04868	0.6
167.06989	0.5
170.02068	5.9
171.04379	1.4
173.05830	0.4
174.06781	0.6
175.03868	0.9
184.05132	1.1
185.05893	1.0
187.03926	0.6
189.05379	0.5
201.05412	1.7
202.06119	1.9
203.03345	8.3
205.04927	4.5
212.04617	1.2
213.05432	3.6
217.04927	2.4
229.04927	6.1
230.05705	5.1
231.02855	7.8
241.04941	9.0
245.04329	1.2
245.08165	2.2
255.06375	0.6
257.04205	0.7
258.05154	1.5
269.04385	12.5
270.04688	0.9
273.03867	5.7
274.03973	0.6
283.02399	0.7
285.03864	5.1
286.04666	28.7
287.05011	0.6
301.03363	21.6
301.06934	100.0
302.03677	1.3
302.07297	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	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03917	0.3
59.91048	0.2
67.01839	0.9
67.05475	0.5
68.99779	1.2
69.03400	0.5
70.76925	0.7
79.05470	0.4
81.07040	0.3
89.03897	0.9
91.05465	1.4
93.07033	0.5
95.04936	1.0
95.08549	0.3
97.02834	0.3
97.06490	0.6
101.26865	0.3
105.07035	0.3
107.08581	0.3
108.08044	0.2
109.06528	0.3
111.00783	0.4
115.05444	0.4
117.06978	0.4
119.04932	2.2
119.08567	0.3
121.06486	6.6
121.10148	0.2
123.00732	0.3
123.04414	1.7
124.01558	0.3
129.07013	0.3
131.04947	0.3
132.06537	0.3
134.03603	1.5
135.04462	0.4
137.02332	0.5
137.05879	0.3
139.03822	0.5
143.04922	0.3
145.06439	0.7
145.10037	0.3
147.04388	0.7
148.05154	1.0
149.02333	2.1
149.05952	1.7
151.03850	1.1
152.01041	0.3
153.01805	28.4
154.02164	0.4
157.06461	0.7
161.05980	1.2
163.03860	0.5
165.01878	1.1
169.06432	0.3
170.02133	0.3
171.02917	0.6
171.04332	0.5
173.05965	0.3
174.06613	0.2
175.03877	4.6
176.04576	1.1
177.05446	0.4
178.02652	0.2
179.03392	0.4
184.05220	0.8
185.05957	0.8
187.03819	0.6
189.05455	2.8
191.03305	0.4
199.03856	0.3
199.07550	0.4
201.05444	0.3
202.06239	0.7
203.03436	0.3
203.07056	0.6
212.04614	1.3
213.05446	3.1
214.06038	0.3
216.04118	0.9
217.04892	1.8
217.08539	0.4
222.91737	0.2
226.05952	0.2
227.07028	1.2
227.18173	0.3
229.04933	2.8
230.05704	1.9
231.06369	0.3
240.04111	2.0
241.04918	21.0
242.05457	1.2
243.02808	0.7
243.06531	0.4
245.08076	5.7
245.10587	0.3
255.06462	0.9
257.04401	0.4
257.07928	0.8
258.05212	1.4
268.03607	4.2
269.04282	2.1
273.07550	3.9
283.05957	4.1
285.03833	0.6
286.04703	2.4
301.07022	100.0
302.07346	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	301.0337
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.01857	1.1
55.05502	0.7
57.03431	0.6
65.03931	2.0
67.01875	0.6
67.05482	2.0
68.99783	11.9
69.03400	1.0
69.07044	0.6
71.60378	0.7
79.05485	2.1
81.07046	2.2
83.04969	0.7
91.05452	2.2
93.07020	1.9
95.04950	0.8
95.08589	1.4
97.02877	0.9
97.06528	2.2
103.05447	0.9
105.07011	2.2
107.04980	1.2
107.08590	0.8
109.06493	1.0
109.10159	1.0
115.05450	0.7
117.07021	0.8
119.08560	1.4
121.02847	14.9
121.06453	1.1
121.10123	1.1
123.04413	2.5
131.04892	0.6
131.08542	1.1
133.06436	0.7
133.10126	1.5
134.03561	0.5
135.04454	0.6
135.11679	0.7
137.02306	0.9
137.05940	0.9
145.10091	1.8
147.04337	2.1
147.11642	0.7
149.02318	47.1
149.05943	1.2
150.02695	0.7
153.01804	100.0
154.02144	1.5
155.04959	0.4
157.10136	0.6
159.11725	1.5
161.02309	0.5
161.05940	1.4
161.09622	0.6
162.94511	0.4
163.03894	0.8
163.11162	0.5
165.09125	0.5
167.06937	0.6
171.04387	1.1
173.09573	0.7
173.13235	0.5
175.03851	0.6
177.05432	0.9
181.06523	0.6
185.09550	0.5
187.03831	0.8
187.07452	0.4
189.01808	0.5
189.05341	1.0
198.06589	0.5
199.03929	0.6
203.03366	26.7
205.04926	10.4
213.05417	0.9
215.07037	0.7
217.04922	8.1
227.03395	1.2
229.04803	2.1
230.05754	0.9
231.02847	21.1
232.03265	0.6
241.05005	2.3
241.08542	0.9
245.04413	5.5
255.02873	2.6
258.05325	0.5
269.04401	2.0
271.02341	1.2
273.03906	12.2
273.06830	0.7
283.02359	1.6
286.04639	2.9
301.03369	66.6
301.06976	17.8
301.10724	3.5
301.21548	2.6
302.03748	2.2
302.06903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.033
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
50.58690	0.6
57.09724	0.5
65.03939	1.2
68.99780	10.1
70.61372	0.6
79.01855	0.9
91.05469	1.5
94.00869	0.5
97.02896	1.6
103.05441	2.1
107.01308	2.5
107.04972	0.5
111.04362	0.7
112.01572	0.7
115.05451	3.1
119.04922	0.8
121.02859	8.7
125.02319	0.9
131.04909	2.4
134.03622	3.0
137.02289	1.6
143.04900	1.1
147.04411	2.6
149.02325	33.7
153.01807	78.2
154.02135	1.1
155.04781	0.6
157.06468	1.1
159.04393	1.4
161.05951	1.3
165.39107	0.6
170.02127	2.2
171.04382	2.0
175.03838	2.2
177.05469	0.9
185.02551	0.6
185.05917	0.6
187.03787	1.8
189.05457	2.1
199.03859	1.7
202.06248	0.8
203.03365	41.4
204.03761	1.4
204.76862	0.6
205.04935	24.9
206.05199	0.7
211.03865	0.7
213.05450	3.6
217.04951	12.9
227.03322	1.6
229.04935	5.8
229.27525	0.9
230.05693	2.4
231.02856	42.8
232.03146	1.0
241.04941	6.8
245.04434	7.5
245.08070	1.4
255.02888	4.5
258.05145	1.1
269.04453	6.8
271.02252	0.7
273.03900	27.2
274.04282	1.2
283.02365	2.7
285.03854	1.8
286.04672	11.7
301.03375	100.0
301.07016	50.3
301.10495	2.4
302.03714	3.8
302.07074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97496	0.2
53.03929	0.6
57.03423	0.6
58.98588	0.3
59.04952	0.2
65.11837	0.2
67.05504	0.3
68.03191	0.2
69.03421	2.4
69.07045	0.4
70.06580	7.0
70.41959	0.8
71.04967	0.3
73.02925	0.3
78.03436	2.0
79.27241	0.3
80.05013	2.6
81.03401	2.1
84.04490	0.6
84.08129	0.5
85.02894	3.7
86.09691	3.0
92.89837	0.2
94.00426	0.2
95.04967	0.3
95.08619	0.3
96.04482	3.2
97.02874	1.6
97.06528	0.3
99.04439	0.8
103.05482	0.3
105.07031	0.3
106.02175	0.6
106.02900	12.1
107.04961	1.4
109.02848	2.3
114.05549	0.2
116.07071	4.4
119.04977	0.3
123.04448	0.5
124.03935	100.0
125.04295	1.0
126.05488	0.4
127.03886	2.0
131.04913	0.8
133.06470	0.8
134.05960	0.3
137.05881	0.3
138.05475	1.5
140.07008	0.3
141.10242	0.6
145.04906	0.3
145.06487	0.3
147.04391	0.8
149.05933	0.7
149.08359	0.6
153.71951	0.3
157.13309	1.8
161.05962	0.8
166.04953	0.3
169.09682	1.1
174.25105	0.3
175.07483	0.4
177.05457	0.7
185.12820	0.6
187.03934	0.3
192.10197	0.6
197.06021	0.3
200.04596	0.3
205.04955	0.5
210.10017	0.4
213.05577	0.5
219.06538	0.9
241.04977	0.5
245.04489	0.3
250.07074	7.0
254.09131	0.4
255.09975	0.4
268.08118	4.4
282.09601	0.8
283.09418	0.3
300.10739	19.6
301.03345	0.7
301.07025	1.8
301.10950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88058	1.1
56.96545	6.1
63.68642	1.2
67.03136	1.1
69.48848	1.1
70.13987	5.4
79.94616	1.2
81.03397	1.5
98.97569	32.6
101.92105	1.2
114.53273	1.1
116.98604	36.0
119.01916	4.6
120.01972	2.1
122.03146	1.3
132.05060	2.1
134.10391	1.2
134.99643	29.2
137.02933	2.5
138.03064	1.8
140.00169	1.8
150.06120	1.7
153.00691	7.0
155.07014	1.9
156.07318	1.9
158.01318	1.2
158.99866	2.2
164.04684	1.4
176.08206	1.8
177.00922	27.0
178.00989	5.9
179.00658	10.8
182.99872	2.2
188.08368	1.5
190.06122	2.6
200.02614	1.9
201.00955	5.6
204.07806	1.3
205.02327	2.5
210.95761	3.4
214.04147	1.5
214.06187	2.0
214.09668	1.5
218.03674	2.6
218.50546	1.2
219.01974	100.0
220.02100	15.3
221.01747	10.4
222.01984	2.5
223.01566	1.5
225.00153	1.2
232.05128	1.5
234.99690	2.5
235.99960	1.2
236.99609	1.5
240.98732	2.2
242.03598	4.2
248.63080	1.2
251.97650	1.2
252.97076	4.3
256.05151	4.6
258.02994	14.9
258.99594	26.2
259.99951	1.7
260.02527	1.9
261.03085	3.2
262.03094	3.7
263.02844	14.5
274.06210	4.3
275.97717	3.2
276.04160	13.5
276.97046	5.3
277.00467	39.3
278.01010	1.9
281.04565	2.2
282.03110	1.6
283.00015	1.6
294.98059	4.8
299.97882	3.9
300.04230	20.1
300.09879	22.0
300.13187	3.6
301.00873	2.3
317.98773	8.6
318.05112	4.0
318.11130	1.4
318.98639	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	299.2001
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
53.03917	1.9
55.01850	2.6
55.05497	8.8
57.07049	3.9
65.03925	2.3
67.05508	9.3
69.03403	8.0
69.07050	6.2
70.30373	3.7
70.30783	5.2
71.04975	4.5
79.05478	11.0
79.76469	1.8
81.07036	10.6
83.04975	4.2
83.08606	10.5
85.06499	4.2
91.05469	15.2
93.07037	9.4
95.04948	25.8
95.08607	10.2
97.06506	8.4
103.05423	2.6
105.07009	33.9
106.07325	1.8
107.08576	21.1
109.06497	14.7
109.10136	7.6
109.43293	1.8
111.08084	2.3
113.09647	3.9
115.05429	2.7
117.06989	12.5
119.08561	68.6
121.05611	3.0
121.06487	51.0
121.10096	8.9
123.11692	2.5
125.09576	4.7
128.06206	5.6
129.06993	6.6
130.07755	6.6
131.08560	11.3
133.10112	13.3
135.08023	13.6
135.11679	3.9
137.05933	2.0
137.09604	7.1
141.06946	3.6
142.07755	6.8
143.08548	18.0
145.06432	2.3
145.10103	71.4
147.07999	5.1
147.11633	3.0
149.09592	2.9
151.07521	2.6
155.08549	9.8
156.09351	6.0
157.10106	16.0
158.07253	10.4
159.08049	7.5
159.11688	13.8
161.05946	2.7
161.09605	7.7
161.13188	2.9
165.06914	2.6
167.08537	3.6
169.10136	9.1
170.10895	3.4
171.11641	13.6
173.09598	21.3
173.13284	7.0
175.11121	3.0
179.08521	2.6
181.10124	5.3
182.10857	3.8
183.11638	9.3
185.13232	5.6
187.11134	5.1
187.14784	2.8
189.12718	7.6
193.10118	3.9
195.11612	9.6
197.13248	14.0
199.11107	5.5
199.14825	11.6
201.12740	4.0
203.14278	4.0
207.11575	3.9
208.12486	2.5
211.11319	2.6
211.14719	6.4
213.12740	8.0
213.16385	5.2
215.14294	5.6
223.14806	13.1
225.12709	6.7
231.02844	2.9
233.13268	2.4
239.14240	3.1
239.17874	3.3
241.15813	13.6
243.10159	14.3
243.13808	7.1
251.14366	1.9
253.19496	2.6
255.06410	2.5
257.18954	23.5
263.17834	2.4
271.09543	10.1
271.20599	4.6
281.19009	18.6
283.05850	2.4
284.06653	3.4
299.05920	3.1
299.09064	16.7
299.12555	3.4
299.20020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2001
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03932	2.8
55.01855	2.9
55.05493	7.8
57.03431	3.2
57.07068	3.5
59.04990	1.8
65.03920	1.6
67.05492	12.4
69.03410	6.9
69.07060	7.4
69.70650	1.4
71.04972	4.0
71.60328	2.4
79.05464	13.6
80.46188	1.5
81.03400	1.8
81.07048	15.1
83.04961	3.2
83.08614	7.4
85.06512	2.8
91.05470	16.7
93.07021	18.9
95.04948	37.9
95.08595	10.8
97.06508	5.9
99.79420	1.4
103.05426	1.9
105.07014	24.7
107.04944	3.0
107.08578	20.4
109.06494	17.0
109.10134	8.3
111.08027	3.1
113.09627	1.7
117.07002	7.7
119.04916	2.7
119.08561	44.0
121.06487	7.4
121.10132	10.8
123.08010	3.1
123.11703	1.8
125.09586	3.9
128.06201	3.5
129.06979	6.3
130.07768	5.0
131.08546	16.4
133.06451	1.7
133.10092	16.5
135.08015	11.3
135.11659	5.6
136.08772	2.6
137.05975	1.9
137.09572	6.8
139.11147	1.7
139.24345	1.4
141.06940	2.3
142.07764	6.5
143.08533	18.4
144.09235	1.5
145.06490	2.4
145.10106	42.1
147.04353	4.8
147.07971	3.1
147.11639	5.9
149.09625	3.6
151.07524	3.0
155.08537	6.6
156.09311	7.0
157.06493	1.7
157.10094	16.3
158.07195	7.4
158.10880	2.2
159.08060	5.1
159.11673	13.9
161.05962	3.5
161.09605	10.4
161.13266	2.3
163.11139	5.5
165.06967	3.6
166.07733	1.7
167.08525	3.2
168.09415	2.1
169.10115	7.7
170.10881	2.7
171.11688	11.8
173.09595	12.2
173.13235	9.5
175.11148	2.0
177.09178	2.2
179.08569	3.5
179.10606	2.1
181.10118	5.6
182.07127	1.6
182.10805	2.9
183.08060	1.9
183.11606	8.0
184.12433	2.3
185.09645	3.4
185.13147	7.7
187.11171	3.4
187.14828	2.8
188.08257	1.7
189.09076	2.0
189.12677	5.2
191.10580	1.8
193.10083	2.8
195.08057	2.7
195.11716	3.5
196.12508	2.7
197.09584	2.9
197.13217	11.5
199.11168	6.7
199.14819	12.0
201.12715	4.1
207.11601	2.7
208.12459	3.5
209.13249	2.0
210.10329	1.5
211.11131	3.8
211.14722	5.2
213.12692	4.2
213.16312	2.5
215.14281	5.9
217.15804	2.9
221.13100	1.7
223.14806	6.3
225.09096	2.4
225.12784	9.4
233.13083	1.7
237.12891	1.5
237.16388	1.6
239.14185	2.5
239.17909	3.4
241.15825	6.4
243.13800	7.3
248.15712	2.5
253.12244	2.2
253.19492	10.0
257.15179	1.4
257.16635	1.6
257.18930	9.9
263.17844	2.9
271.20667	3.7
281.18954	18.7
283.06018	10.2
284.06711	5.0
299.05588	5.4
299.09106	33.9
299.12769	5.7
299.20010	100.0
300.09396	1.8
300.20508	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	18.5
53.03937	7.1
55.01867	12.1
55.05248	3.6
55.05503	51.9
57.03167	2.9
57.03428	36.5
57.07061	3.7
59.04987	5.9
64.87036	2.0
67.05497	35.5
69.03429	4.0
69.07047	3.8
70.94284	1.9
71.01324	5.1
71.04980	3.1
71.98100	1.7
75.00098	1.9
79.05484	28.9
81.03404	11.5
81.07043	52.9
83.04962	6.5
83.08609	33.7
83.78566	1.8
85.58350	1.9
91.05466	53.8
93.07029	43.3
95.04972	14.5
95.08586	12.5
97.02864	11.6
97.06535	10.3
97.10136	4.9
97.15479	1.8
98.20647	2.7
99.00162	4.0
99.00805	70.3
99.04456	3.2
103.05458	4.7
105.07023	45.3
107.04937	14.4
107.08591	18.7
109.02863	25.2
109.06495	7.1
109.10136	18.0
111.04381	5.0
111.08060	9.1
113.05926	2.6
115.03943	7.7
117.07012	8.6
119.04933	2.6
119.08573	26.8
121.06485	18.9
123.04424	5.1
123.08043	3.9
123.11709	9.6
127.03870	9.6
128.06207	5.6
129.06953	2.5
131.08571	7.1
133.06483	2.9
133.10115	100.0
134.10483	2.6
135.08076	5.4
135.11668	5.2
137.05956	4.3
137.09550	2.9
139.07573	10.8
143.08556	12.6
145.06508	2.6
145.10094	4.8
147.04384	3.3
147.08072	3.1
147.11649	2.3
151.11166	34.5
161.05956	3.5
161.09610	61.1
163.11177	3.0
165.09070	4.3
171.08038	13.3
171.11726	2.4
179.10658	33.4
189.09102	33.6
197.11740	12.8
207.10101	14.2
225.11171	37.5
243.12259	6.9
284.06387	2.2
299.05734	4.4
299.09189	9.2
299.14893	78.5
299.20203	4.9
299.23605	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
60.91209	0.3
68.99769	0.3
70.05040	1.3
79.05479	0.3
82.04721	0.2
95.04934	0.4
98.21382	0.3
105.07012	0.4
107.04932	4.9
108.02077	0.3
109.06500	0.3
123.04420	0.8
133.02823	5.4
135.04369	0.3
135.07985	0.4
137.02333	2.4
137.05957	7.4
147.04387	0.6
148.05171	31.4
149.05507	0.7
151.03891	0.3
163.03886	2.0
165.07043	0.2
168.05566	0.3
188.08408	0.4
196.05153	0.6
197.05972	0.8
211.07518	0.6
213.05408	2.6
224.04616	2.0
225.05440	0.4
225.09018	0.3
227.07016	1.0
239.06903	0.4
240.07788	0.5
241.04941	5.2
242.05070	0.3
243.07733	0.4
243.10052	2.4
252.04141	5.0
253.04985	1.7
253.08812	0.3
255.06540	1.6
256.07303	1.5
267.06485	22.0
268.06958	0.9
269.04462	1.8
269.07294	0.3
269.07800	0.3
271.09647	1.3
283.05981	8.9
283.08936	0.5
284.06747	20.6
285.07117	1.0
299.09103	100.0
300.09460	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	299.0907
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.44963	0.2
52.03157	0.5
55.64462	0.2
62.80264	0.2
68.99788	0.4
76.92218	0.2
79.05487	0.3
91.05480	0.4
97.02854	0.2
97.06511	0.4
107.04945	0.5
108.02098	0.4
108.35671	0.2
118.04142	0.4
121.02849	0.4
123.04426	0.2
132.05690	0.4
133.02818	0.4
133.10132	0.3
134.03642	0.5
137.02315	4.8
137.05954	0.8
147.04384	0.5
147.25468	0.2
148.05173	1.9
149.02388	0.3
154.02615	0.4
157.06483	0.2
161.05986	0.3
162.03084	1.6
163.03906	0.6
163.07492	0.3
165.06950	0.2
167.03380	5.0
169.06473	0.3
171.07997	0.2
173.05948	0.3
177.05537	0.2
181.06461	0.9
183.08069	0.3
184.55293	0.2
185.05971	0.4
188.08334	0.5
195.06451	0.2
197.05925	1.4
199.07532	2.2
200.04674	0.3
209.05904	0.6
209.09352	0.2
210.06717	2.3
211.07542	0.7
213.05507	1.8
213.09131	0.2
214.06187	0.3
224.04520	0.4
225.05428	0.7
225.09065	0.5
226.06226	0.6
227.07043	1.4
228.04167	0.4
228.07726	0.4
237.05438	16.4
238.06209	6.3
239.06921	0.9
240.07654	0.5
241.04961	1.9
242.05644	0.5
243.10159	2.4
252.04179	0.6
253.04892	1.9
253.08670	0.2
254.05647	0.6
255.06500	12.9
256.07065	0.7
265.04947	10.4
265.07233	0.2
266.05701	12.8
267.06476	3.6
268.07254	0.7
269.04431	3.1
269.07645	0.3
270.04990	0.3
271.05890	0.5
281.04767	0.2
281.08301	0.2
283.05975	25.4
284.06702	6.3
285.06995	0.3
299.09094	100.0
300.06122	0.5
300.09412	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	299.091
Annotation	Trichoflectin
Peak:m/z	Relative Intensity
53.03939	0.7
55.01841	1.8
57.03427	0.9
61.60964	0.7
69.03396	1.1
70.80318	2.6
71.01332	0.9
74.47495	0.9
79.05476	4.2
81.03400	0.8
81.07037	1.4
91.05466	1.1
93.03371	0.9
93.07016	2.7
95.04914	0.8
95.08548	0.9
103.05455	1.2
105.03373	1.0
105.07020	1.4
107.04935	1.7
109.06548	0.8
109.10121	1.2
115.05430	1.9
117.06959	1.9
119.08494	1.1
121.10160	1.3
123.04404	2.2
128.06209	1.4
129.06984	1.4
131.04924	1.2
133.10095	0.9
137.02304	1.9
139.05431	1.3
141.06955	5.5
142.07750	3.1
143.08542	1.1
145.06470	1.1
147.04358	3.0
152.06168	7.3
153.06969	6.0
154.07744	1.5
155.04826	1.2
155.08524	5.4
157.06409	1.5
157.10132	0.8
159.04391	0.9
159.07997	2.4
160.05130	2.4
161.05922	1.6
161.09619	0.9
165.06970	12.3
166.07794	8.1
167.08524	16.4
168.05661	1.8
169.06470	3.2
169.10107	1.7
170.07211	2.8
171.07985	1.5
173.05954	10.2
175.03909	0.8
177.05566	1.1
178.07761	7.0
179.08537	34.3
180.05637	1.4
180.08995	0.9
181.06488	6.0
181.10103	10.2
182.07220	3.2
183.08029	7.7
184.05026	1.0
185.05899	2.7
185.09624	1.2
186.06631	0.7
187.07555	5.7
188.08304	33.6
189.06969	3.1
189.08632	1.5
190.07672	1.1
191.03287	1.9
191.08521	1.9
193.06456	4.6
194.07266	6.6
195.08026	18.5
197.05968	7.9
197.09564	5.8
198.06667	4.1
199.07491	3.6
200.04547	1.4
201.09102	1.2
203.07034	1.2
207.08011	26.6
208.08632	1.9
209.06245	0.9
209.09569	16.0
210.06731	22.6
211.04123	1.2
211.07516	25.0
212.08284	11.0
213.05466	2.0
213.09073	20.3
214.09436	0.9
215.03432	0.9
215.06975	0.9
219.02855	1.8
219.08092	1.0
221.05849	1.9
224.08257	0.9
225.05409	3.0
225.09067	100.0
226.09425	3.2
227.07028	1.8
227.10663	12.5
228.04117	2.3
229.04872	1.0
229.08577	2.5
233.04422	1.2
235.07516	12.5
236.08060	1.3
237.09036	3.4
238.06177	1.8
239.03250	2.0
239.07011	16.3
241.04695	0.8
243.06363	0.9
243.10136	1.6
244.03815	0.8
253.08557	32.6
254.09183	3.3
255.10097	2.1
256.03793	1.0
257.05063	1.1
257.08044	16.0
263.06970	3.9
271.06171	1.3
271.09637	13.2
281.08044	23.9
284.03238	1.5
299.02179	1.4
299.05615	5.3
299.09073	43.4
299.12704	2.0
299.20090	1.1
300.09470	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	299.0911
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
79.05466	0.6
91.05441	0.4
95.04903	0.3
97.06495	0.4
105.07054	1.2
107.04893	0.5
118.04086	0.3
119.04860	0.7
121.02779	0.3
121.06389	0.3
123.00745	1.2
124.01550	0.4
129.06970	0.4
131.04866	0.5
132.05644	0.7
133.06525	1.5
134.07191	0.9
135.04370	0.5
137.02327	1.5
137.05878	0.3
140.06137	0.3
141.06908	0.8
147.04346	0.7
148.05150	0.5
151.00180	1.0
151.99870	0.4
152.01019	3.0
152.06174	0.3
153.01746	0.9
153.06937	0.6
157.06410	1.0
161.04739	0.3
161.05954	4.3
165.06902	0.3
168.05679	1.3
169.01247	0.9
169.06409	0.4
170.02051	1.0
172.08797	0.5
173.05870	0.4
178.02547	0.4
182.07185	0.9
183.08043	1.3
183.09369	0.3
185.05983	1.6
187.07471	0.3
188.08246	1.1
196.05124	1.0
197.05888	1.2
199.07550	0.3
200.08313	0.5
207.08000	0.3
210.06679	0.9
211.07462	1.7
213.05411	2.4
224.04668	0.9
225.05402	0.8
225.09064	0.6
227.07027	1.3
228.07722	0.9
229.24635	0.3
238.06053	0.5
239.07013	3.9
240.55634	0.3
241.04933	4.1
243.06444	0.6
243.10191	1.8
252.04149	0.6
253.04944	1.8
253.08476	0.6
255.06578	2.2
256.07269	7.1
267.06491	0.7
268.03748	0.4
269.04425	2.7
271.06335	0.4
281.08023	0.7
283.06009	1.6
284.06754	70.0
285.07050	2.2
297.07303	0.3
299.09106	100.0
300.09442	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0527
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.27304	0.4
51.45103	0.3
53.03910	0.7
55.01808	0.4
55.05470	0.4
57.03436	1.7
67.05466	0.5
68.99750	0.5
69.07014	0.4
71.61855	0.5
79.05429	1.1
79.61031	0.4
81.03388	0.6
81.07002	0.7
85.02903	0.5
89.03842	0.3
91.05412	1.0
95.04906	0.6
97.01330	0.3
97.06500	0.4
104.52217	0.3
105.03355	0.4
105.06961	1.0
107.04883	1.5
107.08520	0.5
115.05414	1.0
117.06996	0.5
119.08498	0.4
121.02805	0.9
128.06140	0.9
131.04865	0.9
133.10007	0.5
134.03575	1.1
135.04359	1.3
137.01288	0.5
137.02295	5.9
139.05417	2.4
141.06926	1.1
144.05675	3.3
145.06401	1.2
146.03496	0.4
147.04333	1.1
149.02272	0.5
155.04904	2.2
155.08359	0.4
156.05624	0.6
157.06419	1.0
158.03593	0.4
159.04337	0.8
159.08008	0.7
160.05109	0.5
161.02344	0.4
161.05898	1.1
161.09554	0.3
162.03142	0.6
163.03818	1.0
167.04860	0.9
169.06416	0.6
171.04338	1.3
172.05125	3.5
173.05943	1.7
175.03874	1.0
175.07448	0.6
177.05403	0.4
179.08524	0.5
181.06415	0.9
183.04330	1.1
184.05165	3.7
185.05930	1.5
186.03064	1.1
187.03873	8.1
187.07504	3.7
188.08243	1.2
189.05400	1.4
195.04384	8.3
196.05203	0.3
197.05923	2.5
199.03862	1.2
199.07503	0.6
200.04643	25.5
201.05406	3.5
210.06686	0.7
211.03864	10.9
211.07217	0.4
212.04588	2.8
213.05420	3.1
215.03384	3.3
215.06996	2.4
225.05460	2.7
225.09062	1.0
227.03407	1.7
227.06949	3.0
228.04129	22.2
229.04884	2.3
235.07394	0.4
238.06126	1.4
239.03339	48.6
240.03958	2.2
241.04863	1.9
243.06485	15.9
252.07790	0.6
253.04951	1.9
253.08629	0.7
253.12096	0.4
255.02887	3.0
255.06360	1.0
256.03592	4.8
257.04245	0.9
266.05731	0.5
267.02853	6.2
267.10059	1.0
268.03488	2.7
269.04379	1.0
271.05966	24.8
281.04459	1.2
281.07956	0.7
283.05908	1.6
284.03098	13.2
284.06622	1.1
285.03772	1.4
299.05460	100.0
299.08884	7.6
299.12662	2.6
300.05838	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	299.091
Annotation	Puerol A
Peak:m/z	Relative Intensity
51.85023	0.9
55.01843	1.6
55.05503	2.1
57.03411	1.7
62.21819	1.1
67.05490	3.0
68.27249	1.1
68.49889	0.9
68.52900	1.1
68.99796	1.6
69.03389	1.2
69.07043	1.3
69.34702	8.8
69.35117	2.1
71.04970	1.2
71.14536	1.2
79.05470	4.5
81.03413	1.4
81.07027	3.7
83.04960	1.3
83.08588	1.6
91.05466	3.6
93.07022	2.3
95.04966	1.4
95.08588	3.1
96.37523	0.9
97.02855	2.0
97.06528	1.7
99.00812	1.7
101.32817	1.0
103.05465	1.2
105.06991	2.6
107.04922	2.3
107.08567	1.8
109.10175	2.4
117.07002	3.3
119.08582	2.6
121.02846	1.3
121.06560	1.2
121.10089	1.2
121.81208	0.9
123.04401	1.8
128.06197	2.0
129.07014	2.4
131.04892	1.7
133.10118	1.4
137.02350	8.9
137.05971	1.7
139.05431	1.4
141.06923	3.7
142.07692	1.3
143.08562	2.5
145.06477	1.4
147.04411	2.8
149.02299	2.1
152.06177	5.0
153.06952	4.3
154.07727	1.6
155.04875	1.3
155.08499	4.4
157.06480	1.2
159.04402	1.5
159.08012	1.6
160.05177	1.5
161.05890	1.6
161.09521	1.5
165.06960	11.9
166.07780	8.5
167.08551	15.2
168.05661	4.2
169.06505	2.1
169.10083	3.7
170.07280	1.2
171.07999	1.2
173.05971	8.7
173.13138	1.1
175.07509	1.4
178.07755	6.7
179.08543	27.0
180.05663	1.2
180.09155	1.7
181.06488	6.8
181.07954	0.9
181.08498	1.5
181.10063	10.9
182.07211	4.0
183.08038	7.0
184.05164	3.6
185.05960	5.0
185.09521	2.8
187.03877	2.8
187.07468	5.5
188.08301	26.2
189.05414	1.3
189.06927	2.4
189.08656	1.0
190.07733	1.2
191.08482	3.6
193.04906	1.1
193.06395	5.1
194.07272	8.4
195.08032	15.6
196.05202	2.5
197.05969	9.8
197.09602	7.7
198.06712	3.7
199.07497	10.8
201.05357	2.3
201.09059	1.4
203.07033	1.5
207.08025	24.4
208.08624	2.3
209.06013	1.4
209.09584	22.4
210.06735	18.8
211.04080	1.9
211.07516	30.4
212.08220	9.6
213.05435	2.8
213.09071	16.7
215.03319	4.7
219.02794	1.1
219.07875	1.2
221.05965	2.9
225.05444	7.7
225.09074	100.0
226.06125	2.0
226.09474	4.4
227.07039	1.9
227.10620	10.2
228.04105	2.6
228.07722	1.2
228.10995	1.0
229.04993	1.3
229.08536	7.5
233.04286	1.5
235.07500	12.1
236.08337	2.2
237.05367	2.3
237.09076	9.0
238.06204	5.4
239.03358	2.9
239.04503	1.2
239.06966	16.0
240.07454	1.6
241.04883	1.5
243.10086	1.4
252.04289	1.4
253.08574	55.2
254.09250	12.9
255.06499	1.8
255.09956	5.5
257.04498	5.2
257.08035	18.6
263.07047	3.0
267.02847	2.1
271.06024	2.9
271.09619	12.7
281.08041	41.6
282.08292	2.3
284.03088	1.6
285.03851	10.8
299.05502	7.6
299.09076	58.1
299.12750	4.8
300.06171	7.0
300.09293	2.4
313.65921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
62.59960	0.3
66.09139	0.3
68.99799	0.4
69.03410	0.4
69.07040	0.4
70.60502	1.2
79.05466	1.2
81.07043	0.9
91.05448	1.0
95.04998	0.5
98.21460	0.4
103.05435	0.4
105.06965	0.6
107.04935	2.8
109.06498	0.6
119.04948	0.4
121.06464	0.5
125.02274	0.4
131.04881	0.7
134.03648	0.5
135.04393	1.1
137.05969	2.4
145.06369	0.4
146.03595	0.5
147.04376	4.4
148.05157	0.4
153.05493	0.6
157.06454	1.3
159.04402	1.2
160.05151	1.0
161.05980	2.1
165.05446	0.9
165.06900	0.5
169.06453	0.8
173.05933	1.2
175.07541	1.0
177.05446	3.6
179.08527	0.3
181.06451	0.7
185.05963	7.5
188.08330	0.7
190.06241	0.4
197.05962	1.4
198.06706	0.6
199.07483	0.4
200.04514	0.3
207.08069	0.7
209.09711	0.4
210.06885	0.5
211.07544	0.6
213.05415	0.9
213.08975	0.4
215.07047	0.3
224.08374	0.7
225.09154	0.8
227.10608	3.2
228.07867	0.4
229.04872	0.5
231.02870	1.0
236.08249	0.7
237.09161	0.4
238.06218	0.4
239.10628	0.4
241.04892	2.2
242.05861	0.4
252.07669	0.5
253.08583	1.3
255.06322	0.6
255.10170	0.5
256.07254	1.9
257.04446	4.6
267.06519	1.6
267.10120	3.4
268.03653	2.5
269.04208	1.7
271.06033	0.6
281.08096	0.9
283.05978	54.9
284.06674	12.3
284.09900	0.5
299.09109	100.0
300.09436	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	299.0524
Annotation	3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
Peak:m/z	Relative Intensity
53.39606	0.3
57.03420	1.4
67.05464	0.4
68.19233	0.4
68.65125	0.3
68.99762	0.5
69.89857	1.4
69.90266	0.8
79.05491	0.9
81.03397	0.8
91.05465	0.6
92.02628	0.6
95.04913	0.4
97.06490	0.5
98.21438	0.5
105.03397	0.6
105.07031	0.4
107.04935	1.6
115.05392	0.5
119.08575	0.4
121.02853	0.8
128.06236	0.8
131.04918	0.5
131.08636	0.4
133.02789	0.5
134.03629	0.8
135.04388	1.6
137.02319	6.6
139.05403	2.5
141.06972	0.6
144.05673	2.9
145.06465	0.8
147.04375	1.1
149.02289	0.5
152.06166	0.4
153.07010	0.6
155.04909	2.9
156.05682	0.4
157.06465	1.2
159.08046	0.6
161.02354	0.5
161.05962	0.9
163.03879	1.0
167.04892	0.7
169.06477	0.8
171.04395	1.3
172.05180	3.5
173.05959	1.7
181.06531	1.0
183.04379	1.2
184.05150	4.4
185.05933	0.9
186.03123	1.1
187.03880	8.4
187.07513	3.9
188.08257	1.5
189.05492	1.2
195.04370	7.3
197.05956	1.6
198.06587	0.4
199.03796	0.7
199.07518	0.4
200.04654	25.8
201.05345	4.2
202.64021	0.4
203.07071	0.4
207.02927	0.8
210.06708	1.0
211.03864	10.1
212.04688	2.8
213.05400	2.6
215.03348	2.7
215.06865	1.8
223.03821	0.7
225.05502	2.5
225.09052	1.0
227.03494	2.1
227.07008	3.2
227.10559	0.5
228.04140	19.8
229.04947	2.0
238.06160	1.0
239.03360	46.2
240.03903	2.8
241.04936	1.4
243.06502	14.5
253.04895	2.1
253.08640	0.6
255.02847	2.6
255.06483	0.9
256.03577	4.4
257.04419	1.0
266.05667	0.6
267.02875	6.2
267.10028	0.5
268.03552	3.1
269.04352	1.0
271.05972	24.8
272.06311	0.7
281.04575	1.1
283.05875	0.9
284.03122	14.7
284.06271	0.9
285.03726	1.2
299.05475	100.0
299.08865	7.4
300.05765	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	298.2738
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03944	1.4
55.05507	13.7
56.05025	7.5
57.07066	3.6
57.07518	1.0
58.02946	2.4
60.04505	3.1
65.95514	0.9
66.62179	0.8
67.05496	20.1
68.05014	2.8
69.07062	14.6
69.26933	11.0
71.08601	1.7
72.04507	1.2
75.95433	0.9
79.05484	12.2
80.05005	1.8
81.07051	15.9
82.06583	9.9
83.04980	1.1
83.08614	7.8
85.10224	1.0
86.06070	2.0
91.05465	8.8
93.07025	9.1
94.06559	5.0
95.04982	1.5
95.08601	11.6
96.08135	1.6
97.06549	1.1
97.10149	3.0
98.06062	1.4
100.07593	2.7
102.57034	1.1
105.07008	5.7
107.08585	3.4
108.08088	1.7
109.10138	6.0
114.09122	1.1
119.08562	3.6
121.10144	3.7
122.09632	1.1
123.11689	1.4
133.10114	2.9
135.11649	3.0
158.23575	1.0
159.11615	1.0
191.18005	1.2
234.21819	0.9
245.22762	1.3
250.25240	9.3
262.25311	5.0
280.26324	100.0
281.26614	1.9
299.09109	2.9
299.20044	1.2
302.40268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06141	0.6
50.47001	0.6
51.20062	0.7
53.03923	0.9
55.05506	12.2
56.04801	0.7
56.05030	7.5
57.07074	3.0
58.02942	2.7
58.43679	0.7
60.04509	1.9
65.03934	1.0
67.05148	1.0
67.05495	19.6
67.32511	0.6
68.05031	3.6
69.07056	11.0
69.12777	0.6
70.20679	1.1
70.21066	1.4
71.08595	1.3
72.04494	1.0
74.06097	0.8
76.05870	0.6
79.05483	12.3
80.04994	2.8
81.05816	0.6
81.07048	16.5
82.06570	9.3
83.04957	1.8
83.08607	5.0
84.08166	0.8
86.06045	2.3
91.05472	8.2
93.07029	8.5
94.06557	3.7
95.04940	1.7
95.07341	1.3
95.08596	12.4
96.08102	1.8
97.06518	1.0
97.10138	2.9
98.06019	1.5
99.20718	0.6
100.07603	1.4
105.07024	3.5
107.08571	2.8
108.08074	0.7
109.10141	3.8
112.07560	1.0
119.08575	3.6
121.10145	3.5
122.09666	1.5
123.11700	1.7
127.25733	0.6
133.10095	3.3
135.11649	1.9
151.14786	0.7
191.17854	0.7
212.71445	0.7
239.10025	0.8
250.25284	9.5
260.23367	0.8
262.25290	4.3
270.13303	0.8
280.26318	100.0
281.26633	2.8
286.93350	0.8
298.26291	0.8
299.09009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74034	0.3
51.39083	0.3
53.03935	0.6
56.96312	0.4
56.96564	4.8
57.03419	0.8
61.01133	0.5
61.02913	0.7
69.03403	2.5
69.97588	2.1
70.68791	0.4
70.98122	0.4
71.04993	0.4
71.95242	0.4
73.02905	1.3
78.03450	0.4
80.05016	3.0
81.03399	1.4
82.06596	0.8
83.04929	0.3
84.08125	0.7
84.96035	0.6
85.02897	3.1
87.04420	0.6
91.05008	0.3
91.05480	2.5
95.06063	0.4
96.04499	1.9
97.02879	3.4
98.20860	0.5
98.97569	14.7
99.04405	0.4
107.04929	0.5
109.02874	0.9
110.97541	0.6
116.98604	12.4
119.01892	0.8
119.04939	2.3
120.01971	0.5
121.01646	0.4
122.07010	0.4
123.04372	0.5
124.03937	100.0
125.04286	1.3
127.03903	0.9
128.07077	0.9
128.98601	1.4
129.06572	0.5
130.93286	0.4
134.06015	1.9
134.99640	6.2
136.06175	12.0
136.07359	0.7
136.07568	0.6
137.05951	6.2
138.06299	0.9
140.09296	0.3
143.00192	0.6
145.03334	0.6
146.99626	1.5
147.04387	5.4
148.04791	1.1
152.07060	3.0
153.00714	1.0
158.99622	1.5
161.01157	0.8
165.00713	0.5
166.07243	1.0
166.09761	0.4
166.53642	0.4
169.09718	1.2
172.94283	0.4
177.00668	2.4
179.07037	1.3
180.05009	0.3
189.00735	0.5
190.95387	1.2
191.03902	0.8
193.10844	1.3
199.04445	0.4
206.07501	0.4
208.04874	2.6
208.55159	0.6
208.96480	0.7
217.05431	3.6
217.55544	0.5
219.01799	0.9
219.05161	0.6
232.96436	1.2
233.01485	0.6
235.02745	1.1
237.02780	0.8
237.06145	0.4
238.05969	0.4
239.11250	1.7
250.39052	0.3
252.14128	0.8
253.03760	0.9
256.96460	0.9
274.97461	7.6
280.07001	1.5
289.07535	1.1
292.98523	6.2
295.08389	0.4
297.99213	0.5
298.09183	14.2
298.14682	0.9
298.18188	0.6
299.06161	0.5
299.09436	0.7
315.99893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
59.28924	0.1
61.01145	4.9
64.99776	0.1
69.03409	0.6
69.98657	0.8
69.98950	0.2
70.06578	0.2
71.01304	0.2
72.08115	0.1
75.02695	2.7
84.08134	0.2
91.05489	0.1
92.02484	0.2
93.07015	0.1
94.04044	0.3
95.16978	0.1
97.02884	1.5
98.21439	0.2
101.25364	0.1
103.02179	0.4
107.04939	0.3
119.03542	0.6
123.04367	0.1
135.04367	0.2
136.06169	100.0
137.04559	0.6
137.06650	1.1
142.27547	0.1
145.03156	1.2
163.04234	1.1
179.03456	0.1
179.08476	0.2
188.08345	0.2
211.07457	0.2
225.09166	0.2
235.07611	0.2
248.12766	0.2
253.08438	0.2
254.55482	0.1
254.68060	0.1
266.13788	0.1
281.08185	0.2
298.09705	2.5
298.16364	0.2
299.05655	0.3
299.09344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1143
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03918	0.6
55.01862	1.4
56.96563	6.2
57.03413	1.3
61.02905	1.6
62.93493	0.5
68.04994	0.6
69.03417	3.5
69.07030	0.7
70.06558	3.1
70.56546	1.1
70.56941	1.0
71.04971	0.7
72.08147	0.9
73.02892	1.0
75.02693	0.7
77.03145	0.7
79.05463	0.8
80.05001	1.5
81.03401	1.4
83.06067	0.6
84.04498	0.7
84.08111	1.4
84.96040	1.0
85.02883	5.5
87.04424	0.6
95.04942	0.7
95.99986	0.6
96.04443	1.7
97.02876	4.7
98.97572	5.0
106.06487	0.6
107.04943	0.6
109.02865	1.5
109.05136	1.1
110.97578	0.8
116.07077	0.7
116.98591	4.7
119.04895	1.3
121.06492	0.9
124.03931	54.6
124.07597	0.7
127.03844	1.8
128.04477	1.0
128.98587	1.7
129.06703	0.8
133.02771	1.4
133.06529	0.8
134.06012	3.4
134.99631	2.7
136.06163	18.8
136.07364	1.0
136.07574	0.8
137.02336	0.7
137.05943	2.1
143.00052	0.7
146.99603	2.3
147.04395	1.6
149.01289	0.8
149.04596	3.1
149.05794	0.8
151.08655	0.7
152.05646	2.0
152.07036	5.4
153.04080	2.4
158.99521	1.0
163.08673	1.0
164.09047	1.0
165.05476	0.6
166.07217	100.0
167.05629	8.4
167.06981	1.1
169.09660	1.7
177.00714	1.3
178.09763	0.7
181.04991	0.6
182.03261	0.6
189.00667	0.7
191.03839	1.4
193.04405	2.9
193.10815	2.0
195.06445	0.7
201.04243	0.7
202.04875	1.1
219.01791	1.4
237.02855	1.0
239.11412	4.0
241.03833	1.3
265.03918	1.2
265.06476	2.4
274.07010	4.2
280.12924	0.7
292.98441	0.9
298.09167	13.0
298.14804	2.6
298.17899	1.0
298.67490	0.7
299.06033	0.9
299.09207	0.8
300.06201	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	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	28.0
57.03427	3.2
61.01139	3.9
61.02911	2.0
69.03400	5.2
70.06416	7.2
70.98136	1.5
71.95245	4.1
73.02876	1.3
75.02675	1.9
81.03387	2.1
82.06566	1.5
83.06079	3.1
83.97639	1.3
84.08128	4.3
84.96041	1.7
85.02875	6.1
87.04426	1.4
93.76452	1.1
94.98008	1.3
97.02876	6.5
98.20886	2.1
98.21414	1.5
98.97566	100.0
99.04449	1.5
102.96858	1.5
110.07100	1.3
115.02378	1.3
116.98603	90.2
119.01884	3.6
119.04931	1.4
121.06438	1.2
124.03937	19.3
127.03906	1.8
128.07036	2.8
129.06499	3.0
130.08592	1.7
130.93304	2.7
131.01917	1.3
133.03482	1.2
134.05983	11.5
134.99635	53.1
136.06165	98.0
137.05949	5.2
137.15858	1.2
140.00171	2.5
145.03238	1.6
146.99608	2.0
147.04329	1.8
147.11270	2.4
148.08630	2.2
148.94316	1.7
151.08624	1.9
152.07054	20.5
153.00677	7.0
158.01241	2.8
158.06647	1.8
166.07288	3.5
166.09743	3.3
168.95670	1.7
169.09671	3.1
172.94304	5.6
173.60513	1.1
176.07738	1.3
177.00836	2.2
178.09758	2.3
186.96754	9.1
188.07674	2.7
190.95343	7.8
193.10826	5.5
204.56238	1.8
204.97861	4.1
208.96368	4.6
214.95384	1.9
216.98697	1.9
219.01979	1.7
232.96423	12.7
233.01355	3.0
234.99696	2.7
238.05972	1.5
239.11247	7.7
250.97418	7.2
251.02385	8.0
256.96356	12.8
261.02887	3.1
263.10223	1.4
266.29358	1.3
268.07062	2.0
274.97461	80.7
280.13013	2.2
292.98514	57.3
293.03305	7.3
297.98874	3.5
298.09363	5.2
298.18182	2.2
298.94128	2.4
316.00165	4.2
316.95441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03939	5.3
54.50294	3.7
55.01871	8.8
55.05504	60.9
57.03437	7.9
57.07075	18.3
59.12555	3.8
67.05499	100.0
69.07063	51.0
69.45666	34.7
71.04979	7.3
71.08629	31.0
79.05493	42.6
81.07044	76.4
83.04974	5.0
83.08615	34.8
85.06544	6.2
88.19271	3.3
91.05448	19.5
93.07036	38.8
95.08594	67.5
95.09140	6.4
97.06513	8.2
97.10168	31.3
98.20720	8.7
99.08076	20.4
105.07029	11.6
107.08588	33.4
109.06532	5.0
109.10147	41.3
117.06984	4.8
119.08589	14.7
121.10168	14.3
123.11713	21.9
125.09623	27.2
131.08539	8.3
133.10109	6.7
135.08014	5.4
135.11681	21.7
135.34418	3.8
137.13301	7.0
145.10150	7.2
147.11682	12.9
151.07541	4.3
151.14793	3.6
153.12764	7.6
155.13187	4.5
157.10162	4.1
161.09521	3.9
161.13281	4.3
163.11110	4.7
163.14818	5.9
165.12772	5.3
169.15968	5.8
173.11884	5.7
173.13257	8.9
181.15843	4.2
183.13783	33.4
189.11247	16.3
209.15404	4.0
243.21231	6.3
251.23628	9.3
261.22162	19.5
279.23190	59.3
297.18689	6.5
297.21933	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	296.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.2
60.04502	1.7
68.04996	1.1
68.99763	1.8
69.03401	1.8
69.07041	1.1
70.02943	2.9
70.06567	1.2
71.38814	1.4
71.39155	1.5
72.04500	4.3
73.02885	3.3
79.05460	3.5
81.07027	1.3
84.08147	0.9
85.02892	1.7
86.09689	1.5
87.00837	4.5
87.04461	9.2
88.03957	2.8
89.02381	47.9
91.05464	14.8
93.07011	2.5
97.02885	2.3
98.97579	1.8
100.03959	2.0
101.04771	4.8
103.04829	1.5
103.05457	15.0
105.07015	12.5
107.04932	5.0
113.02328	2.8
115.05391	1.6
116.98573	0.9
117.05739	3.8
117.07005	15.7
118.06528	7.3
119.07282	2.1
119.08547	2.7
120.08087	16.1
121.06487	1.1
123.59091	1.1
128.06197	3.6
129.06992	11.5
130.06453	1.0
131.03389	43.3
131.04851	8.3
131.07289	3.4
135.04391	1.0
144.08086	2.2
144.51628	0.8
146.09633	62.9
149.05942	1.2
164.10692	34.7
164.12073	1.7
166.08612	3.3
174.09177	4.8
192.10175	100.0
193.10562	1.3
210.11232	5.1
232.09695	2.0
250.10739	35.6
251.11221	1.1
265.12180	2.1
267.00079	1.2
278.10028	1.4
296.11249	31.6
296.16229	1.4
299.06094	2.2
318.61987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03939	4.6
55.01862	0.7
55.05500	1.2
57.03413	0.5
58.26844	0.6
62.69840	0.6
65.03932	0.7
67.05493	3.5
69.03416	2.2
69.07076	0.8
70.05907	2.4
70.06573	1.4
74.82362	0.6
76.54738	0.5
77.03893	1.1
78.32932	0.5
79.05479	5.1
80.05006	10.7
81.03408	1.8
81.07032	1.4
83.04969	6.0
83.38277	0.5
84.08146	0.7
85.02876	1.8
91.05845	0.8
93.03382	2.2
93.07035	1.0
95.04955	11.8
95.08601	1.1
97.02875	2.1
98.06049	1.7
98.21413	0.6
105.03379	100.0
105.06996	0.7
106.03696	1.7
107.04948	2.6
107.84511	0.6
111.04423	6.9
119.08569	0.9
121.02839	1.4
123.04413	4.9
124.07573	2.0
125.06021	0.7
127.03920	0.7
129.05466	4.9
131.04922	0.8
135.04419	2.9
136.06154	1.6
139.03903	4.1
144.06543	0.9
146.06017	2.1
146.45450	0.6
147.04367	0.9
147.06483	1.3
149.05956	1.3
150.07835	0.9
150.09064	1.0
154.08633	1.8
157.04987	2.7
163.03862	3.5
166.08597	1.4
175.06032	1.0
182.40453	0.7
188.10788	1.2
190.08627	11.4
191.03423	1.1
191.06958	0.8
195.08047	1.0
207.08058	0.9
208.09839	0.7
211.03867	0.6
215.11772	7.9
216.10236	1.3
223.07553	0.9
233.12790	3.8
234.11330	1.3
237.05371	0.9
237.09103	1.0
241.08612	0.9
251.07111	1.1
251.13924	2.7
252.12335	0.9
254.05365	0.6
261.12292	6.3
262.10608	0.7
265.08664	2.2
267.00018	1.5
269.08066	2.5
279.06213	1.0
279.08737	2.7
279.13333	6.9
283.02911	0.8
297.07727	5.2
297.11179	2.4
297.14484	16.0
299.06198	3.1
300.06427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91906	0.7
53.03934	0.7
55.01865	0.7
67.05492	1.5
68.05009	2.2
68.81283	0.6
69.71864	5.6
70.06565	2.2
79.05484	2.2
79.42396	0.7
80.05008	85.7
81.07029	2.3
84.04489	2.4
91.05466	0.9
93.07024	1.2
95.08579	1.1
97.87976	0.7
98.06052	10.3
106.06539	1.6
110.06061	1.1
114.05473	0.9
118.06509	1.5
120.08089	1.2
121.06471	1.8
124.07584	12.5
132.08038	1.2
134.05965	2.3
135.04465	0.9
135.49178	0.9
136.07552	1.2
137.06009	0.9
138.09140	3.1
144.06546	5.4
147.08022	1.5
148.07533	1.7
149.05983	4.2
150.09091	2.8
154.08614	15.2
166.08636	7.8
170.09642	1.7
174.98466	0.7
185.01947	0.8
188.10728	6.1
190.08611	74.6
191.07103	1.3
191.08936	1.5
206.11830	4.2
214.88814	0.8
215.11775	67.8
216.10156	10.5
216.12071	1.6
225.09045	1.1
233.12831	27.1
234.11218	13.4
234.13293	1.4
241.08545	1.6
251.13922	14.5
252.12221	5.7
261.12323	51.6
262.10669	2.7
269.08145	1.5
279.13364	52.5
297.07541	5.4
297.14426	100.0
298.14639	1.9
299.06079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	7.7
55.01870	46.7
55.05283	4.3
55.05508	53.4
57.03423	7.8
57.07051	17.2
67.05493	83.9
69.03412	6.6
69.07058	42.8
71.04980	9.5
71.08624	24.6
71.36086	7.4
76.88953	3.5
79.05478	66.5
81.03403	24.4
81.07041	83.5
81.33176	3.4
83.04982	20.4
83.08607	32.1
85.10165	8.9
88.60069	4.1
89.43980	3.7
90.06039	3.7
91.05472	39.8
92.41891	3.7
93.07035	57.9
95.04967	21.8
95.08598	59.9
97.06520	32.5
97.10142	16.7
99.08077	25.3
105.07022	36.4
107.04935	6.1
107.08580	35.1
107.80138	3.6
107.83287	4.4
109.06487	13.5
109.10131	31.0
111.08068	34.2
113.09616	13.0
117.07006	9.0
119.08598	21.9
121.10132	25.1
123.08070	9.8
123.11685	11.8
125.09593	14.6
129.06978	5.7
131.08554	12.2
133.10133	24.2
135.08083	4.7
135.11649	26.3
135.12524	4.3
137.09584	15.1
137.13220	4.4
139.11165	11.6
143.08556	5.0
145.10109	11.6
147.11650	28.0
149.02292	8.0
149.09615	7.3
149.13242	15.7
151.11185	29.1
153.12639	6.1
157.10124	6.6
161.13249	15.7
163.11159	8.4
163.14757	5.2
165.12752	25.6
167.14391	5.0
171.11713	6.1
173.13371	5.3
175.14709	5.1
178.07692	5.6
179.14281	16.2
194.07381	4.2
221.15385	4.8
231.21086	5.0
235.07471	4.5
241.19609	7.7
249.21957	10.0
259.20575	14.0
277.18680	7.9
277.21588	100.0
295.06125	6.4
295.09586	19.9
295.13159	9.1
295.22662	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.87913	3.7
51.40660	3.8
53.03930	6.5
55.01640	5.2
55.01864	68.0
55.05505	36.5
57.07057	13.7
60.03513	4.3
67.05502	51.1
69.07065	28.1
70.86825	8.9
71.04968	4.4
71.08611	16.3
79.05481	39.6
81.03396	18.1
81.07047	71.8
83.04992	20.4
83.08609	29.7
85.10162	16.0
91.05453	32.5
93.07041	40.6
95.04949	17.3
95.08592	38.3
97.06526	23.3
97.10157	6.4
99.08079	16.6
102.18584	4.1
105.07026	33.9
107.04925	4.8
107.08582	24.7
109.10130	12.8
111.08067	77.8
113.09648	20.5
119.08547	13.2
121.10111	17.7
123.08035	6.9
123.11687	7.2
125.09624	6.4
131.08531	4.7
133.10101	32.1
135.11685	10.2
139.11145	6.9
143.08481	6.4
145.10097	6.5
147.11626	18.0
149.09605	9.1
149.13231	11.8
151.11162	23.0
153.12657	5.0
157.10046	7.6
161.13257	8.6
163.11186	10.3
165.12721	26.6
175.11201	4.1
175.14795	6.5
179.14311	11.5
186.24763	4.7
231.20996	6.7
241.19444	5.5
249.22073	5.5
259.20471	13.4
277.21594	100.0
295.22635	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.41152	0.9
53.03937	2.4
55.01871	2.7
55.05503	14.4
57.03430	1.8
57.07071	4.8
59.35598	1.0
65.03938	1.7
67.05501	30.4
69.03419	1.6
69.06702	1.6
69.07060	21.4
70.71061	2.6
70.71462	2.4
71.04967	2.8
77.44743	1.0
78.26392	1.1
79.05489	24.2
81.07050	39.6
83.04945	7.3
83.08623	7.5
85.06538	3.4
91.05472	14.7
93.07038	36.7
95.04957	3.9
95.08595	30.2
97.06524	12.5
97.10146	5.2
99.08070	1.4
105.07018	18.5
107.04938	1.7
107.08585	28.7
109.06517	6.6
109.10149	14.3
111.08101	2.7
117.07005	4.8
119.08559	10.7
121.06517	2.9
121.10133	17.4
123.08070	4.7
123.11712	3.4
125.09644	1.8
129.07001	2.7
131.08549	8.4
133.10130	9.3
135.08127	1.9
135.11679	31.3
137.09596	4.0
143.08504	3.6
145.10124	7.2
147.11650	10.4
149.13242	13.0
151.11214	3.2
157.10109	3.0
159.11703	4.9
161.13298	5.5
163.11176	3.6
163.14833	2.3
165.12799	2.0
171.11736	2.6
173.13290	4.1
175.14857	4.7
177.12744	2.7
185.13252	4.3
187.14893	1.4
189.12730	2.2
195.13785	1.8
199.14815	3.1
203.14346	3.5
207.13751	3.2
209.15404	1.6
210.63499	1.4
213.16466	1.3
215.17815	1.3
221.15375	7.8
235.17009	1.4
239.16432	2.0
241.19484	6.9
249.22026	1.2
259.20563	22.3
277.21594	100.0
278.21945	3.3
295.22736	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	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03923	10.6
55.01865	51.3
55.05503	68.2
55.19580	3.6
57.03420	9.4
57.07060	11.6
59.04964	3.4
65.03928	4.3
65.81186	3.3
67.05495	99.4
69.03423	5.3
69.07057	46.8
69.89288	7.5
69.89709	16.0
71.04993	8.4
71.08613	19.1
76.01770	3.7
79.05481	67.5
81.03394	15.0
81.07044	100.0
83.04958	27.0
83.08614	43.8
85.06522	8.8
85.10165	8.4
91.05470	57.3
93.07030	84.7
95.04966	26.2
95.08591	59.9
97.06542	18.6
97.10155	20.2
99.08088	18.8
105.07027	40.4
107.08593	47.4
109.06479	11.9
109.10134	28.2
111.08066	57.4
113.09649	6.9
116.32996	3.4
117.07030	9.0
119.08549	25.5
119.09289	3.3
121.10115	14.9
123.08035	12.0
123.11662	14.4
123.25898	3.1
125.09586	16.6
129.06995	9.5
131.08551	12.4
133.10112	28.3
135.08025	4.1
135.11670	24.7
137.09595	5.1
139.11099	6.7
143.08586	5.4
145.10147	9.8
147.11687	22.5
149.09613	7.9
149.13249	17.2
151.11189	19.3
153.09018	3.4
157.10158	6.7
159.11626	7.9
161.13228	14.4
163.11169	7.0
163.14838	6.7
165.12718	15.2
166.12920	3.3
171.11674	5.5
175.14851	8.6
179.14273	4.9
185.13268	4.6
189.11171	7.2
193.12198	4.6
195.13791	5.4
201.16331	3.3
207.13747	3.6
221.15302	4.2
231.21017	5.5
241.19496	5.2
249.22115	6.8
259.20636	12.9
277.21588	93.6
287.29620	3.6
295.22745	67.7
296.22610	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03937	26.3
53.98024	3.5
55.01857	8.6
55.05505	28.9
57.07046	8.3
60.08547	2.6
67.05145	5.1
67.05493	81.3
69.03396	4.0
69.07056	51.1
69.33698	20.4
69.34120	12.3
71.04969	4.0
71.08611	5.7
71.19638	3.3
75.18890	2.9
79.05479	43.3
81.02952	5.0
81.03406	81.5
81.07046	79.7
83.04960	22.3
83.08598	12.4
85.06506	3.6
85.10160	3.3
91.05472	29.9
93.07034	45.0
95.04952	52.1
95.08590	32.6
97.10149	9.6
98.20741	7.2
99.08049	5.6
105.07017	33.1
106.86110	2.8
107.08576	29.7
109.06495	11.5
109.10151	26.0
111.08058	6.4
113.09660	3.5
117.06975	7.1
119.08575	16.9
121.10114	11.8
123.08000	3.1
123.11664	9.6
125.09618	12.0
129.07028	3.0
131.08531	4.2
133.10100	25.6
135.07997	4.1
135.11670	11.0
143.08611	3.5
145.10172	4.4
147.07971	4.7
147.11681	17.0
149.13150	7.5
151.10060	5.1
151.11162	61.6
153.09142	5.2
161.13232	18.2
163.14810	7.1
165.12747	16.0
171.11732	3.9
175.11086	4.4
175.14822	4.6
179.14259	3.4
189.12781	5.9
193.12204	3.6
207.13844	6.8
217.19411	4.2
231.21028	9.0
241.19415	6.8
249.22044	7.1
259.20438	6.7
277.21585	100.0
294.58014	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03918	6.0
55.01853	4.3
55.05512	23.6
67.05492	70.4
69.07040	15.1
70.74492	11.1
70.74818	5.0
71.08629	38.4
74.05307	5.0
79.05479	51.5
81.03406	7.6
81.07039	53.8
83.04951	14.9
83.08591	15.0
91.05460	33.9
93.07025	53.6
95.04957	15.5
95.08596	36.7
97.06553	6.0
97.10161	10.5
99.08054	24.8
105.07014	21.6
107.08566	26.6
109.06509	6.2
109.10132	17.6
113.89203	4.4
117.07024	8.1
119.08564	14.3
121.10120	33.9
131.08554	6.2
133.10104	9.2
135.11668	30.2
139.11223	5.9
143.08540	4.3
145.10121	7.3
147.11682	7.4
149.13321	11.9
151.11124	12.0
159.11731	4.8
161.13155	9.3
163.11082	5.0
177.12764	6.3
179.14290	100.0
235.16869	4.9
250.20441	5.0
277.21542	32.3
295.22882	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	295.226
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	5.0
55.01858	4.3
55.05504	28.2
57.07040	4.8
65.03956	2.1
67.05499	43.3
69.03416	1.7
69.07068	14.4
69.55853	14.6
71.04978	2.1
71.08613	3.3
72.33369	1.7
79.05486	25.0
80.05799	3.2
81.03420	8.8
81.07047	30.6
82.07349	2.4
83.04951	4.1
83.08610	11.8
85.06493	3.0
90.52985	1.7
91.05452	11.9
92.05802	2.9
93.07037	19.1
94.04181	2.6
94.07347	1.8
95.04956	6.6
95.05526	2.1
95.08600	17.0
96.08924	2.5
97.06483	5.1
97.10159	16.3
98.20728	3.5
99.08085	2.0
105.07028	10.4
107.08573	20.6
108.08887	4.7
109.06486	5.3
109.09451	2.4
109.10144	14.6
111.08043	2.8
115.90993	1.5
117.07008	2.1
119.08553	8.6
119.62474	2.0
121.10107	8.3
122.03613	6.1
123.03960	4.8
123.11719	2.9
125.09637	11.8
129.06964	3.6
131.08540	4.4
133.10089	8.0
135.08047	2.7
135.11673	7.8
137.05965	100.0
137.09518	3.0
138.06297	87.6
141.12674	2.5
142.13034	3.6
143.08501	2.0
145.10118	3.7
147.11639	6.4
149.13257	4.5
151.11176	5.7
159.11653	2.6
161.13252	6.0
163.11134	2.0
163.14775	2.9
165.12683	2.6
171.11580	2.7
177.12650	1.7
185.13135	1.7
189.11241	9.8
193.12344	1.9
231.21082	2.8
241.19348	3.0
249.21558	1.7
259.20544	4.0
265.12146	3.1
275.19998	2.1
277.21536	32.4
295.22537	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.34696	2.2
53.03933	5.3
55.01855	10.1
55.05495	23.5
57.03430	34.7
57.07067	8.1
57.47984	2.3
65.03932	2.8
67.05497	63.4
69.03419	2.2
69.07061	23.0
70.17568	4.1
70.17962	5.2
71.04975	3.9
71.08630	4.5
79.05484	45.9
81.03394	5.6
81.07043	100.0
83.04974	7.4
83.08603	18.6
85.06530	7.5
85.10213	2.7
91.05460	28.1
93.07037	53.5
93.85602	2.1
95.04967	6.1
95.08594	82.3
97.06522	12.6
97.10167	7.7
99.08080	6.8
105.07030	21.4
107.08581	35.3
109.06516	5.6
109.10144	32.7
111.08072	7.6
113.09624	2.9
117.06990	9.5
119.08549	18.0
121.10125	38.8
123.08066	9.7
123.11713	9.2
125.09625	4.3
129.07028	2.5
131.08543	15.6
133.10126	25.5
135.11668	24.3
137.09630	4.9
139.11134	2.8
143.08537	4.6
145.10118	13.5
147.11684	15.2
149.09610	4.7
149.13196	13.4
149.78386	2.4
151.11203	7.0
159.11681	9.9
161.13200	5.6
163.11217	3.5
163.14731	3.4
165.07117	2.2
165.12744	7.8
171.11687	3.7
175.14804	5.4
185.13171	2.6
187.14781	18.1
199.14851	2.8
203.17989	6.1
205.15923	10.3
221.15544	3.3
221.18944	6.4
223.16962	7.8
241.19484	3.6
259.20551	13.2
277.21594	50.0
295.22690	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	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01868	1.7
56.04997	0.8
56.96563	1.0
57.03431	4.4
59.04999	0.8
61.02927	5.5
67.05482	1.4
69.03421	11.6
69.07068	6.9
69.73900	4.8
70.06557	0.9
71.04988	1.8
73.02901	2.0
77.25655	0.7
79.05476	2.2
81.03400	5.8
81.07034	1.9
83.04951	1.5
84.04474	4.6
84.08134	1.1
85.02895	56.5
86.09678	2.1
87.04447	1.8
87.08099	8.1
88.03948	0.9
91.03938	3.6
91.05474	3.1
93.07051	1.0
94.04038	2.8
94.22256	0.7
95.04969	1.6
95.08591	1.3
96.05625	0.6
97.02261	0.9
97.02883	14.4
98.21475	1.0
99.04427	2.3
101.02448	0.8
103.03941	0.7
103.05465	1.4
104.04928	0.7
105.07018	1.2
106.06593	0.7
107.04923	6.5
109.02895	4.5
109.10121	0.8
110.06052	0.9
112.05056	0.7
115.03850	1.0
115.05447	0.8
117.06973	1.2
119.04927	1.0
120.08090	4.8
121.02831	2.4
121.06494	1.1
121.09999	0.7
123.06643	2.3
124.07516	1.0
127.03893	11.2
130.04982	1.6
131.04904	2.7
133.06552	0.9
134.06027	3.1
135.04404	1.5
136.07559	4.0
137.05971	1.4
145.04950	11.4
145.06204	1.3
147.04393	1.9
147.08052	1.1
148.03876	1.3
149.05943	3.2
150.07735	100.0
151.03897	0.7
151.07588	1.3
152.07048	1.7
157.06384	0.8
161.05969	1.9
163.03925	4.7
163.05960	1.1
166.08627	2.0
175.03897	2.3
175.07500	2.4
177.05486	1.1
179.07014	3.0
180.06573	1.8
181.04961	1.4
193.04984	2.7
193.08661	0.8
194.05525	0.7
203.07053	0.8
205.04845	1.5
205.08522	1.7
207.06430	1.5
235.09586	0.9
249.07440	3.3
249.12355	0.9
253.13312	1.1
254.79874	0.8
259.05954	0.8
263.07043	0.9
295.08545	2.4
295.12833	1.9
295.16461	1.4
295.19678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20320	7.3
55.01869	12.7
57.03438	46.2
60.47998	7.9
64.40410	7.2
67.05479	8.4
69.03423	100.0
69.07059	11.8
71.65904	11.4
79.05489	14.8
81.03435	11.3
81.07037	14.7
85.02905	65.2
87.04456	67.5
91.05482	22.1
93.07043	11.1
95.08600	14.5
97.02876	88.1
99.04438	11.4
103.05457	50.6
105.07036	34.0
107.08595	14.1
109.06514	10.6
115.03918	66.1
115.05366	9.5
121.06493	17.7
124.07607	23.1
127.03869	8.8
131.04918	42.2
133.04945	77.7
133.06461	72.6
135.04387	9.1
135.08020	44.3
137.05951	20.5
145.06459	23.9
151.07536	26.1
161.05994	13.0
163.03922	28.2
163.07504	92.6
175.03923	23.3
177.05467	25.7
179.06961	60.9
193.04953	35.0
203.07053	19.1
205.08559	13.5
207.06522	31.2
235.07568	9.7
249.07558	89.0
295.08069	82.3
295.12915	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	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01868	1.7
56.04997	0.8
56.96563	1.0
57.03431	4.4
59.04999	0.8
61.02927	5.5
67.05482	1.4
69.03421	11.6
69.07068	6.9
69.73900	4.8
70.06557	0.9
71.04988	1.8
73.02901	2.0
77.25655	0.7
79.05476	2.2
81.03400	5.8
81.07034	1.9
83.04951	1.5
84.04474	4.6
84.08134	1.1
85.02895	56.5
86.09678	2.1
87.04447	1.8
87.08099	8.1
88.03948	0.9
91.03938	3.6
91.05474	3.1
93.07051	1.0
94.04038	2.8
94.22256	0.7
95.04969	1.6
95.08591	1.3
96.05625	0.6
97.02261	0.9
97.02883	14.4
98.21475	1.0
99.04427	2.3
101.02448	0.8
103.03941	0.7
103.05465	1.4
104.04928	0.7
105.07018	1.2
106.06593	0.7
107.04923	6.5
109.02895	4.5
109.10121	0.8
110.06052	0.9
112.05056	0.7
115.03850	1.0
115.05447	0.8
117.06973	1.2
119.04927	1.0
120.08090	4.8
121.02831	2.4
121.06494	1.1
121.09999	0.7
123.06643	2.3
124.07516	1.0
127.03893	11.2
130.04982	1.6
131.04904	2.7
133.06552	0.9
134.06027	3.1
135.04404	1.5
136.07559	4.0
137.05971	1.4
145.04950	11.4
145.06204	1.3
147.04393	1.9
147.08052	1.1
148.03876	1.3
149.05943	3.2
150.07735	100.0
151.03897	0.7
151.07588	1.3
152.07048	1.7
157.06384	0.8
161.05969	1.9
163.03925	4.7
163.05960	1.1
166.08627	2.0
175.03897	2.3
175.07500	2.4
177.05486	1.1
179.07014	3.0
180.06573	1.8
181.04961	1.4
193.04984	2.7
193.08661	0.8
194.05525	0.7
203.07053	0.8
205.04845	1.5
205.08522	1.7
207.06430	1.5
235.09586	0.9
249.07440	3.3
249.12355	0.9
253.13312	1.1
254.79874	0.8
259.05954	0.8
263.07043	0.9
295.08545	2.4
295.12833	1.9
295.16461	1.4
295.19678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.081
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
56.99372	1.0
57.03168	2.0
57.03429	26.2
67.05496	2.0
69.03409	4.1
71.04975	1.4
71.58102	1.3
71.58488	1.9
72.50725	1.0
79.05450	1.4
81.07030	2.7
84.08143	1.7
87.04415	1.2
91.05463	1.9
93.07038	1.6
95.04961	1.7
95.08583	1.4
96.02968	1.2
97.02885	6.6
97.06514	1.2
103.03941	1.1
103.05424	5.1
105.07007	4.5
107.04917	2.0
107.08601	1.4
110.06076	2.4
115.03890	1.8
115.05447	1.8
117.03315	1.7
117.06966	2.1
117.08544	1.1
119.04919	1.8
119.08586	1.7
120.08060	1.7
121.06514	1.7
123.04402	9.9
127.36825	1.3
128.06265	2.0
128.32568	1.0
129.06982	1.8
130.06639	1.0
131.04912	8.0
133.04900	1.9
133.06476	3.6
135.04366	2.5
136.07590	1.7
141.06978	2.4
143.04941	2.6
145.02763	1.6
145.06464	3.7
146.05994	1.9
147.04414	7.5
147.08029	1.6
149.05940	3.3
151.03937	1.5
151.07500	6.8
157.06429	2.7
159.08028	1.2
160.05197	2.1
161.05945	9.3
163.03886	9.2
163.07521	2.6
169.06390	1.2
173.05954	2.0
175.03894	32.2
175.07515	3.2
175.14507	1.0
176.04596	4.2
177.05440	23.2
179.03500	3.2
179.07014	77.1
180.07303	1.1
182.68846	1.0
185.05861	1.3
188.46761	1.1
189.05464	3.3
189.08949	1.2
190.06145	1.9
191.06999	3.5
193.04950	53.8
194.03290	1.2
194.05251	2.0
203.03358	5.1
203.07002	21.3
204.07819	6.4
205.08585	15.3
207.06508	39.3
221.04332	4.1
231.06563	2.2
234.05312	1.5
235.06036	3.8
249.07556	89.0
250.07834	2.0
277.06909	9.8
277.15140	1.0
295.08081	100.0
296.08456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03934	2.1
55.01857	0.9
55.05236	1.5
55.05499	19.2
57.07069	8.6
63.11950	0.7
65.03921	1.2
67.05495	39.6
69.03409	0.8
69.07056	30.2
69.41481	4.8
69.41911	1.9
71.04980	1.2
71.08607	3.3
79.05479	13.5
81.03407	1.2
81.07044	100.0
82.07385	1.6
83.04977	1.4
83.08602	18.7
85.02889	0.9
85.06535	6.4
85.10165	1.8
91.05482	4.6
93.07024	17.1
95.04973	2.0
95.08591	96.5
96.08959	0.9
97.06535	1.8
97.10157	10.5
98.97579	0.8
99.08076	3.4
103.05412	0.8
105.07007	4.1
107.04927	1.6
107.08584	15.0
107.84695	0.8
109.06552	1.0
109.10139	59.1
111.08064	1.7
111.11710	6.7
113.09657	1.0
117.06985	0.9
119.08602	2.3
121.10110	8.7
123.08125	0.9
123.10800	1.3
123.11691	26.4
125.09628	1.2
125.13256	1.6
127.11225	1.1
129.06934	1.0
129.09358	1.0
131.04965	1.6
133.10144	2.7
135.08127	1.1
135.11653	7.1
137.09570	1.1
137.13234	11.6
145.10149	1.7
147.11688	1.4
149.09581	1.1
149.13245	8.6
151.14789	8.2
161.13318	1.0
163.11328	1.0
163.14795	4.1
165.12683	0.7
165.16376	3.4
167.08583	0.9
173.13251	1.2
177.16396	1.7
179.17937	1.6
191.17964	1.7
206.69702	0.7
219.21107	1.7
269.17587	0.8
275.20129	4.5
275.27353	3.4
293.08224	2.1
293.21304	1.7
293.28336	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03931	2.4
55.01850	2.9
55.05250	1.6
55.05505	23.7
57.03420	1.4
57.07068	9.7
59.04979	1.0
65.03902	1.9
67.05495	40.6
67.05854	2.0
69.03399	1.2
69.06697	1.8
69.07059	30.0
69.34362	1.9
69.34769	8.8
71.04987	1.2
71.08604	3.6
77.24727	1.0
79.05482	22.1
81.03397	1.8
81.07047	100.0
82.07366	1.7
83.04970	1.9
83.08606	20.0
85.06538	6.3
89.84991	0.9
91.05465	10.6
93.07030	18.3
95.04948	3.4
95.08593	95.0
96.08896	1.4
97.06506	3.9
97.10155	13.7
98.41729	0.9
99.08075	4.1
105.07012	11.5
107.04929	2.8
107.08578	31.4
108.03664	0.9
109.06510	3.4
109.10143	50.7
111.08026	1.7
111.11703	6.8
113.09641	1.1
117.07004	1.4
119.08554	4.9
121.06509	1.4
121.10117	10.7
123.08067	2.5
123.11695	23.7
125.09618	4.0
125.13286	1.4
131.04938	0.9
131.08546	3.4
133.10115	7.0
135.08054	2.3
135.11682	7.6
137.13232	9.7
139.11131	0.9
143.08502	1.1
145.10101	4.0
147.11653	4.0
149.09613	5.4
149.13245	7.2
151.11153	1.9
151.14832	7.0
151.30327	0.9
153.12805	1.1
159.11685	3.1
161.13271	1.1
163.11177	2.6
163.14816	2.8
165.12772	1.2
165.16458	1.9
173.13278	1.7
189.11200	3.0
191.17896	1.3
219.17496	1.8
239.17833	1.7
257.19034	2.8
275.20047	25.7
275.27283	2.8
276.20340	1.2
293.15231	1.4
293.21228	5.3
293.25131	1.9
293.28323	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	293.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.3
55.01854	3.3
55.05505	32.9
57.03408	1.6
57.07066	22.0
59.04982	1.3
65.03942	2.2
67.05495	50.3
69.03412	1.6
69.07056	51.5
71.04993	2.8
71.08620	9.5
71.63643	2.2
74.03971	1.0
79.05473	18.7
81.07044	96.1
83.04977	2.2
83.08607	35.8
84.48752	1.2
85.06532	16.5
85.10143	3.6
91.05467	9.3
93.07034	34.7
95.04940	5.4
95.08591	100.0
96.08916	1.6
97.06516	5.8
97.09580	1.6
97.10155	19.3
99.08089	10.9
103.05491	2.5
105.07000	6.8
107.04922	1.6
107.08575	35.8
108.08930	1.4
109.06565	2.8
109.10138	68.6
110.10443	1.1
111.08073	9.8
111.11704	11.0
112.96380	1.1
113.09614	5.3
117.07008	2.0
119.08547	3.8
121.06493	1.7
121.10123	19.0
123.08038	1.6
123.11694	35.4
125.09600	7.4
125.13240	4.8
131.04900	4.6
133.10086	3.5
135.11674	14.2
137.13255	10.7
139.11165	3.6
147.11650	2.4
149.13231	22.6
151.11139	1.5
151.14853	5.9
153.12697	4.5
153.13872	1.2
163.14828	9.8
165.16397	3.7
167.14354	2.1
177.16443	2.4
179.17894	4.7
191.17923	2.3
193.19559	3.7
205.19421	1.6
219.21069	2.0
237.22163	2.1
247.24120	1.5
249.25781	4.1
275.20001	3.6
275.27246	7.5
286.33902	1.2
293.08011	1.9
293.15015	1.4
293.21033	5.0
293.28290	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	293.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61880	1.0
53.03929	1.4
55.01859	2.7
55.05239	2.3
55.05501	34.4
55.20105	1.1
57.03426	3.4
57.07066	19.9
59.04985	1.7
65.03903	1.2
67.05495	41.9
69.03418	3.9
69.07058	68.5
69.11841	1.2
70.86539	1.0
71.04974	3.0
71.08617	4.8
71.22989	2.5
79.05482	22.0
81.03384	2.1
81.07044	90.9
82.07413	1.2
83.04964	3.3
83.08608	34.4
85.06530	4.5
85.10164	3.0
91.05455	10.7
93.07033	37.4
95.04943	5.6
95.08593	100.0
96.08923	1.7
97.06503	5.2
97.09570	1.9
97.10155	19.5
98.32110	1.0
99.08099	3.4
103.05424	1.7
105.07024	10.1
107.04996	1.5
107.08578	34.1
109.06487	5.0
109.10139	54.5
111.08082	7.6
111.11703	9.4
117.07016	2.4
119.08558	4.7
121.10120	21.4
123.08098	2.1
123.11693	25.1
125.09612	6.0
125.13261	4.1
129.06912	1.2
131.04956	2.6
131.08540	2.7
133.10104	5.1
135.07967	1.6
135.11678	18.3
137.09570	1.4
137.13245	9.5
139.11162	1.5
145.10135	3.0
147.11682	4.3
149.09607	2.7
149.13229	22.9
151.11212	2.5
151.14748	5.8
153.12746	2.1
155.14250	2.6
157.10132	1.4
159.11665	3.2
161.13173	1.5
163.11137	1.8
163.14799	6.7
165.16475	2.4
167.14290	1.8
169.15865	2.4
173.13295	1.3
177.16393	4.1
179.17953	1.7
189.11095	2.4
191.17982	2.5
193.19510	1.6
195.17467	2.4
205.19496	3.2
219.21024	3.7
249.25763	1.9
257.18979	1.6
275.20004	12.1
275.27310	11.2
276.20071	1.2
293.07755	1.7
293.21198	8.5
293.28305	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01873	2.9
55.05499	10.9
57.03433	17.2
57.07069	2.0
67.05498	23.6
69.07052	7.5
71.66860	1.5
79.05482	21.9
81.03407	2.1
81.07051	27.1
81.13555	1.7
83.04987	2.9
83.08598	5.2
83.88342	1.8
85.06524	4.3
91.05470	26.4
93.07032	24.7
95.04949	9.8
95.08596	18.9
97.06483	3.1
97.10124	2.2
99.04454	2.3
105.07010	16.0
107.04938	4.8
107.08590	15.5
109.06519	8.6
109.10136	6.1
111.04479	2.7
111.08085	2.1
117.06982	10.0
119.08549	12.7
121.06488	4.8
121.10126	9.5
123.08066	2.9
123.11652	2.5
131.08543	11.0
133.10132	10.4
135.11684	4.6
137.09599	7.2
143.08521	2.6
143.84152	1.7
145.10091	8.4
147.11682	5.3
149.09581	5.7
149.13266	2.3
159.11647	6.7
161.13220	3.4
163.11180	3.3
173.13280	3.2
185.13240	3.3
201.16354	5.0
203.14345	5.6
219.17412	100.0
220.17680	3.6
221.15367	3.8
247.20566	4.5
257.19089	3.1
275.20023	23.0
293.10114	2.1
293.21063	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	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03942	1.1
55.01861	0.8
55.05505	10.3
57.03436	0.5
57.07066	1.9
57.36253	0.5
59.79640	0.5
65.03930	2.8
67.05496	97.2
69.03428	0.7
69.07061	10.8
71.04989	0.8
71.08630	0.7
73.06549	1.0
79.05483	17.1
81.07046	100.0
82.07335	0.7
83.04969	1.3
83.08618	5.4
85.06531	3.1
88.85914	0.5
89.34892	0.4
91.05475	6.5
93.07034	16.3
94.07346	0.6
94.07909	0.5
95.04951	2.2
95.08595	78.7
96.08900	0.9
97.06503	2.1
97.10159	3.0
98.21567	0.9
99.08091	1.1
101.05981	0.5
102.68559	0.5
105.07021	5.5
107.04957	0.9
107.08578	11.0
109.06513	2.1
109.10140	31.2
111.08059	0.9
115.07520	0.5
117.06971	2.8
119.08554	5.0
121.06485	0.5
121.09270	0.6
121.10133	9.9
123.08042	1.9
123.11694	14.7
125.09576	1.1
129.09070	0.6
131.08563	7.0
133.10149	3.7
135.08026	1.2
135.11685	7.4
137.09605	1.8
137.13239	8.7
145.10104	4.7
147.11649	3.5
149.09653	2.8
149.13263	4.8
151.11151	1.5
151.14795	3.2
153.12804	0.6
155.10570	0.5
157.12225	0.5
159.11682	4.4
161.13223	3.2
163.11166	2.6
163.14799	2.5
163.43549	0.5
165.12723	1.7
165.16289	0.8
173.13268	5.7
175.14799	0.9
177.12762	2.7
177.16365	2.1
179.14261	1.4
187.14789	3.2
191.14230	1.9
193.15831	0.5
195.13646	0.5
201.16257	1.0
205.15837	0.9
209.15245	0.6
217.19495	0.9
219.21033	1.7
223.16878	1.2
233.22609	0.6
237.18460	0.8
243.21095	5.7
257.18814	0.6
261.22101	5.8
275.20123	2.4
293.21481	1.1
293.24713	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	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03930	1.8
55.05281	0.9
55.05504	10.1
57.07059	2.2
65.03917	2.0
67.05497	88.2
69.07063	9.6
71.50170	1.7
79.05051	0.7
79.05489	13.0
81.07049	100.0
82.96198	0.7
83.04959	1.2
83.08617	5.2
85.06522	2.1
91.05476	4.9
91.81924	0.9
93.07027	12.2
95.04950	1.0
95.08597	66.9
97.06520	1.8
97.10129	2.2
97.38148	0.9
105.06994	3.5
107.08566	7.4
109.06478	1.3
109.10143	33.5
117.06992	1.0
119.08569	3.7
121.10136	7.7
123.08022	0.8
123.11699	23.3
125.09612	1.3
131.08543	3.6
133.10097	3.2
135.11673	6.2
137.09601	1.4
137.13237	7.7
145.10172	3.8
147.11668	2.1
149.09608	1.1
149.13217	4.3
151.11171	1.4
151.14777	3.2
159.11659	2.5
161.13231	2.7
163.11111	2.4
163.14792	1.1
165.12706	1.3
173.13255	3.7
177.12775	1.3
177.16324	2.2
185.46667	0.7
187.14792	2.4
191.14275	1.8
223.16901	1.3
243.21077	3.3
249.22324	0.8
261.22101	5.1
293.24725	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	293.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01859	5.1
55.05504	21.7
56.96553	1.7
57.03433	7.3
57.07069	2.6
65.03920	1.9
67.05497	26.4
69.03406	1.8
69.07056	11.2
71.04961	1.4
77.03902	1.2
79.05484	45.0
81.03382	2.2
81.06609	2.0
81.07045	27.4
83.04960	4.4
83.08609	13.9
85.06527	4.8
91.05468	34.3
93.07034	32.6
95.04972	6.0
95.08595	19.1
97.06523	6.2
97.10163	14.1
99.08068	2.9
103.05440	1.3
105.04481	1.2
105.07014	43.8
107.04939	3.9
107.08578	100.0
108.08926	2.0
109.06510	11.1
109.10153	8.0
111.08045	4.0
112.06712	1.1
115.05450	1.3
117.07018	8.2
119.08564	24.6
121.06506	2.7
121.10129	11.4
123.08051	4.1
123.11652	2.7
125.09608	12.2
129.06975	3.1
131.04926	1.4
131.08548	11.0
133.10109	19.0
135.08028	3.9
135.11668	5.6
137.09592	3.1
141.06912	1.3
142.07825	1.4
143.08502	4.0
145.10114	16.6
147.08009	1.4
147.11673	17.5
148.20651	1.1
149.01144	1.3
149.09596	11.8
149.13205	2.1
151.07610	1.3
151.11183	1.8
153.09105	1.4
155.08525	2.1
157.10106	3.9
159.11679	12.7
161.09641	2.1
161.13269	7.3
163.11174	3.9
169.10117	2.2
171.11649	2.5
173.13203	7.0
175.11201	1.3
175.14818	1.6
181.12143	2.3
183.11646	2.4
185.13242	12.2
189.11220	9.2
189.16463	1.3
197.13297	2.7
201.16293	2.7
203.14337	7.9
209.74562	1.1
219.17412	13.2
221.15413	8.1
233.15482	1.3
239.17949	7.2
244.09572	1.6
257.18954	12.3
275.20029	83.9
276.20358	3.6
293.11774	1.3
293.14969	1.3
293.21045	12.5
293.24350	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	3.4
53.39159	1.6
55.01872	8.6
55.05505	32.7
57.03418	4.7
57.07067	9.6
62.72921	1.6
65.03944	2.8
67.05154	3.2
67.05496	52.2
69.03407	2.3
69.07056	43.2
69.13462	1.4
71.04972	4.4
71.08613	4.1
71.58561	2.5
72.74911	1.3
75.24129	1.4
79.05485	39.2
80.05827	1.8
81.03402	6.6
81.07048	100.0
82.07362	2.3
83.04974	7.2
83.08609	22.9
83.19392	1.6
85.06512	8.1
87.80294	1.6
88.98499	1.7
91.05467	28.7
93.07036	41.5
94.07347	2.0
95.04960	17.6
95.08592	64.6
97.06528	11.6
97.10165	14.5
99.08083	5.3
103.05417	3.3
105.07010	25.3
107.04942	8.8
107.08582	32.5
108.08920	3.0
109.06503	23.2
109.10139	35.7
111.08048	5.2
111.11656	3.7
117.06973	9.2
119.08564	21.8
121.06470	4.6
121.10122	21.4
123.08062	9.2
123.11686	17.2
125.09610	8.9
125.13232	1.7
129.07013	5.1
131.04950	2.9
131.08530	11.8
133.10104	20.7
134.10359	1.5
135.07956	3.6
135.11676	12.0
137.09584	6.5
137.13239	6.5
139.11237	2.0
143.08516	3.4
145.06526	1.8
145.10146	9.7
147.07933	2.0
147.11652	12.4
149.09613	9.1
149.13248	10.5
151.07521	1.7
151.11151	6.9
151.14783	3.1
155.08527	2.8
157.10139	3.6
159.11684	6.7
161.09612	1.6
161.13226	6.6
163.11139	9.0
163.14804	4.5
165.12798	3.2
165.16374	1.6
169.10062	3.1
171.11594	2.7
173.13222	5.0
175.11145	2.1
175.14771	1.9
177.12640	1.8
181.08548	3.3
183.11595	2.2
185.13243	2.8
187.11205	2.4
189.11191	2.5
191.14307	1.5
193.12177	2.5
197.13293	2.2
199.14706	1.6
201.16429	2.0
215.14352	1.9
219.17381	4.5
221.15315	1.9
223.13251	1.9
233.15228	2.2
239.17911	4.6
247.20592	5.9
257.18939	10.0
275.20032	61.0
275.26978	2.5
293.07715	2.0
293.15530	2.0
293.21036	28.8
293.28165	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	0.3
55.01858	1.1
55.05500	3.2
57.03428	0.4
57.07066	1.5
65.03921	0.6
66.20254	0.2
67.05495	4.5
69.03400	0.5
69.07053	2.0
69.83858	0.5
69.84267	1.3
71.04980	0.4
71.08636	1.9
71.46645	0.3
72.77982	0.3
79.05100	0.4
79.05484	4.4
81.03407	1.4
81.07047	5.0
83.04947	1.0
83.08630	1.6
85.06516	0.4
89.43264	0.3
91.05472	3.6
93.07030	3.4
95.04951	6.2
95.08589	2.9
97.06503	1.0
97.10151	1.1
98.20686	0.3
99.08083	0.9
105.07022	2.8
107.04945	4.1
107.08588	2.6
108.05730	2.1
109.06500	2.7
109.10139	0.9
111.04431	0.4
111.08109	0.4
117.06967	1.0
119.08582	1.4
121.06493	7.1
121.10107	1.4
123.08019	0.6
125.09574	1.1
129.06956	0.4
131.08533	1.4
133.10149	1.3
135.08017	1.1
135.11678	0.5
137.09555	0.4
145.10086	0.8
147.11664	0.7
149.09637	1.5
151.11133	1.6
153.05391	0.4
159.11674	0.5
163.11174	0.8
164.11925	0.7
165.12721	4.1
177.12714	1.6
181.04948	0.7
191.10704	0.5
191.14299	0.5
209.11726	1.2
223.13258	1.5
229.19611	0.3
237.11220	2.0
237.14824	0.7
257.19083	0.5
268.89746	0.3
275.20078	4.7
293.21072	100.0
294.21429	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.71777	2.3
52.89974	2.1
53.03924	5.0
53.69788	2.2
55.01860	7.1
55.05254	3.6
55.05505	61.0
56.00455	2.4
57.03413	3.6
65.03902	3.4
67.05495	38.5
69.03411	4.5
69.07050	11.1
70.11958	6.5
70.12359	4.7
71.05005	5.4
75.24376	2.6
76.08718	2.9
79.05484	85.2
81.07047	30.2
83.04969	12.5
83.08616	17.6
85.06521	2.8
91.05465	28.8
91.32178	2.3
93.07032	38.6
95.04935	7.8
95.08585	11.0
97.06553	3.1
97.10163	33.3
105.07014	33.1
107.04943	46.3
107.08582	65.6
109.06523	4.0
109.10124	16.7
110.00038	2.5
111.08022	4.0
117.06983	8.7
119.08569	25.0
121.06508	2.4
121.10139	20.5
123.08008	2.5
123.11677	7.9
125.09617	36.1
131.08563	15.1
131.96278	3.0
133.10114	24.2
135.08041	6.6
135.11703	4.5
137.09575	3.3
145.10094	7.2
147.11662	10.0
149.09598	100.0
150.09901	2.7
153.09084	6.3
159.11658	7.1
161.13214	3.3
163.11284	3.1
169.12155	4.3
171.10175	2.6
171.11615	3.8
173.11740	4.0
173.13229	4.6
187.13318	4.9
189.11150	26.4
215.17946	4.3
229.19478	8.6
236.00970	2.3
239.17911	4.8
247.20535	3.3
257.19028	24.1
275.20041	96.8
276.20251	4.7
293.21082	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	3.7
55.01852	16.8
55.05501	35.7
57.03411	4.7
67.05495	52.6
69.07051	21.9
70.22093	16.3
71.04973	4.2
79.05489	42.7
81.03396	12.7
81.07047	79.8
83.04990	7.2
83.08617	19.1
91.05463	38.8
93.07034	35.9
95.04954	19.2
95.08598	39.6
97.06540	16.7
97.10138	15.1
100.94351	3.3
102.29395	3.8
104.80034	3.1
105.07023	39.8
107.04931	16.1
107.08578	42.0
109.06501	13.5
109.10159	19.3
111.08065	5.0
117.06995	13.5
119.08565	28.8
121.06469	4.8
121.10127	20.1
123.08038	13.4
123.11679	9.0
124.86407	3.3
125.09582	11.0
129.06984	4.1
131.04927	5.0
131.08516	13.5
133.10129	25.1
135.08060	8.2
135.11658	8.6
137.09550	7.0
145.10097	11.5
147.11650	18.0
149.09595	18.7
149.13261	6.5
151.11145	5.5
153.69936	3.2
157.10106	5.3
159.11664	12.3
161.13199	6.5
163.11148	12.5
165.09090	4.1
165.12773	4.9
173.13184	9.5
175.11255	4.4
183.11713	3.7
189.11177	13.8
201.12569	3.0
207.46373	3.5
239.17947	10.0
247.20576	9.1
257.18927	14.5
275.17154	7.0
275.20004	100.0
276.20401	4.9
293.21118	35.8
293.24271	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.62928	1.6
53.03936	4.1
53.56742	1.4
55.01868	11.7
55.05503	26.0
57.03425	4.8
57.07053	4.2
65.03903	2.0
67.05151	3.0
67.05497	39.2
69.03403	2.5
69.07057	19.0
69.84211	7.6
71.04963	3.3
75.44234	1.6
79.05482	48.2
81.03391	6.2
81.07047	56.7
83.04958	6.4
83.08609	15.7
85.06517	3.9
91.05467	32.9
93.07027	30.0
95.04942	10.9
95.08590	45.0
97.06519	10.4
97.10157	12.5
98.20676	1.9
105.07017	33.5
107.04932	5.5
107.08578	91.6
109.06522	11.2
109.10139	20.5
111.08017	2.8
111.11720	3.2
117.06985	6.9
119.08571	20.8
121.06425	2.9
121.10123	14.8
123.08026	6.0
123.11695	8.8
123.39555	1.7
125.09584	15.7
129.07004	2.1
131.08568	15.4
133.10110	24.1
135.08023	6.7
135.11678	7.8
137.09608	2.6
137.13231	2.9
143.08485	2.8
145.10106	16.3
147.08014	2.0
147.11655	17.1
149.09601	18.3
149.13182	5.2
151.11185	8.1
151.14769	2.7
155.08577	2.2
155.62781	1.6
157.10124	1.8
159.11641	11.3
161.13229	8.7
163.11177	4.2
165.09114	3.5
165.12718	2.0
171.11664	4.5
173.13232	5.8
177.12749	3.8
181.08446	1.9
181.12216	2.2
183.11682	3.8
185.13155	4.8
187.11040	1.9
189.11209	7.5
189.12715	1.7
191.14352	1.5
197.13274	3.0
201.16281	2.0
203.14297	3.7
207.13747	1.7
219.17386	9.1
221.15349	4.3
229.19504	4.0
239.17952	7.2
247.20438	4.0
257.18970	11.4
262.91547	1.8
275.20038	100.0
276.20389	4.0
293.21103	16.6
310.05197	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	8.6
55.01878	9.2
55.05506	20.9
57.03422	1.9
57.07060	2.1
65.03936	2.4
66.66521	1.3
67.05497	36.3
69.07061	19.0
69.83150	3.6
69.83559	7.4
71.04980	3.8
76.44476	1.6
79.05486	37.3
79.05942	2.1
81.03410	8.8
81.07049	100.0
83.04962	7.2
83.08608	13.0
83.38044	1.4
91.05474	23.4
93.07030	23.1
95.04960	17.3
95.08592	22.2
96.33727	1.4
97.06525	9.3
97.10146	2.8
98.21368	2.8
100.42262	1.4
105.07022	23.8
107.04942	11.8
107.08584	17.1
109.05766	2.6
109.06508	43.0
109.07234	3.4
109.10149	8.9
111.08078	6.0
117.07030	8.6
119.08559	16.4
120.92815	1.4
121.06496	6.0
121.10143	11.6
123.08026	9.8
123.11683	4.8
125.09644	1.7
129.06946	2.0
131.08566	12.1
133.10130	17.6
135.08038	3.9
135.11684	6.2
137.09604	5.2
139.11177	1.8
143.08534	1.4
145.06520	1.6
145.10114	11.7
147.11671	14.0
149.09595	10.8
149.13237	5.1
151.11218	3.3
155.08624	1.8
157.10072	2.9
157.80933	1.5
159.11661	5.7
161.13266	1.5
163.11140	10.1
165.12740	4.7
171.11679	2.2
173.09534	3.4
173.13240	4.9
175.11188	4.3
177.12770	3.1
183.11743	2.4
187.11162	1.6
187.14775	1.6
193.12239	3.4
205.12286	1.5
221.51047	1.5
223.13339	1.8
239.17867	3.7
247.20610	4.8
257.18973	6.3
275.20044	60.7
275.49179	1.4
276.20261	2.2
293.21060	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.47838	1.2
53.03933	1.3
53.07528	1.0
55.01863	4.4
55.05511	13.0
57.03425	1.5
57.07060	2.6
60.58998	1.0
65.03917	1.5
67.05497	27.0
69.07057	22.7
70.35338	1.0
70.83360	2.2
70.83733	2.1
71.04970	2.2
79.05482	17.8
81.07048	30.4
83.04974	8.2
83.08604	4.3
91.05470	19.0
91.37955	1.0
93.07034	22.7
95.04948	7.1
95.08598	17.2
96.83791	1.2
97.06522	2.9
97.10114	1.5
105.07013	24.4
107.04948	5.7
107.08585	12.2
109.06510	10.4
109.10156	7.4
117.07042	7.8
119.08566	13.3
121.06499	8.0
121.10143	6.2
123.08058	3.9
123.11742	2.5
125.09633	2.3
129.06966	2.6
131.08554	12.8
133.06477	1.6
133.10114	16.1
135.08038	3.3
135.11667	4.1
137.09593	1.9
143.08586	2.4
145.10107	10.6
147.08025	2.6
147.11673	13.1
149.09627	2.4
149.13193	1.8
151.11169	7.4
155.08452	1.2
157.10155	2.8
159.08083	1.8
159.11682	5.8
161.09599	3.2
161.13191	2.5
163.11183	4.4
169.10118	2.1
171.11653	1.9
173.09573	1.6
173.13268	3.1
175.11197	1.9
177.12726	1.2
183.11736	3.2
187.11237	1.4
191.14357	2.4
201.12794	2.5
207.13728	2.5
215.17966	1.8
219.13698	5.5
229.19481	2.8
231.17622	1.5
233.19200	1.2
239.17978	3.4
247.20633	2.7
257.19016	14.2
270.17252	1.1
275.20032	100.0
276.20340	2.2
293.21066	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.3
53.74454	1.4
53.96265	1.5
55.01865	8.6
55.05503	22.6
57.03425	3.5
57.07071	4.0
61.51307	1.8
63.49020	1.8
65.03940	2.4
67.05495	46.8
67.06240	1.6
69.03391	1.9
69.07061	22.1
69.64224	12.1
71.04987	7.2
76.22327	1.6
79.05485	41.7
81.03395	5.6
81.07047	100.0
83.04967	5.6
83.08607	11.0
85.06535	3.7
91.05468	31.2
93.07030	31.0
94.32310	1.5
95.04960	17.6
95.08591	32.3
97.06513	6.7
97.10154	6.5
103.05431	1.8
105.07018	39.4
107.04917	8.5
107.08573	29.7
107.09274	2.4
109.06505	25.8
109.10145	19.5
111.08072	5.1
117.07013	9.4
119.08557	41.8
121.06518	3.8
121.10120	13.7
123.08076	11.4
123.11703	6.0
123.12533	1.6
125.09622	4.7
129.07013	2.4
131.08530	12.7
133.06511	1.8
133.10098	24.9
135.08037	8.5
135.11671	6.7
137.09610	11.5
137.13171	1.6
140.03401	1.6
145.10098	14.6
147.11661	15.9
149.09593	12.1
149.13283	4.0
151.11174	8.2
155.08574	2.3
157.10020	2.3
159.11655	9.3
161.09628	2.4
161.13268	4.7
163.11197	6.5
165.12697	4.3
169.10089	2.7
171.11694	3.4
173.13306	5.4
175.11176	3.1
177.12817	2.8
183.11667	3.0
229.19664	2.6
239.18025	3.8
247.20564	7.8
257.18994	9.5
275.20038	63.8
275.23071	3.6
276.20358	4.5
293.21051	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	6.0
55.01866	26.3
55.05503	33.9
57.03422	5.0
57.07071	5.1
65.03916	3.0
67.05499	39.4
69.03434	2.8
69.07065	15.8
70.64058	4.8
71.04993	4.9
79.05480	50.8
81.03402	8.7
81.07048	36.2
83.04969	5.6
83.08611	16.2
91.05467	35.9
93.07029	32.7
95.04954	13.6
95.08596	23.7
97.06524	33.9
97.10165	22.3
105.07018	35.7
107.04955	12.8
107.08580	81.4
109.06509	9.3
109.10132	13.7
110.46072	2.1
117.06998	9.7
119.08564	22.4
119.38982	2.3
121.06542	4.6
121.10127	15.6
123.08033	5.8
123.11687	3.8
124.28098	2.5
125.09592	16.9
131.08549	15.5
133.10120	20.0
135.08047	6.9
135.11667	12.3
137.05956	9.5
137.09605	4.1
143.08549	2.3
145.10098	16.6
147.11652	16.0
149.09587	29.4
149.13197	2.6
151.11197	8.6
157.10112	4.9
159.11592	12.7
161.13245	4.9
163.11160	8.1
165.09108	8.2
169.10162	2.7
171.11699	4.3
173.13254	4.7
181.12236	4.4
187.11179	4.6
189.11186	11.4
191.10625	2.6
209.11751	2.8
223.13266	6.4
229.19463	4.7
239.17906	4.7
247.20515	6.4
257.18906	13.1
275.20029	100.0
293.20999	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	7.9
53.69025	3.1
55.01856	8.9
55.05505	62.9
57.03424	8.8
60.05109	2.6
60.56453	2.8
65.03914	5.1
66.03957	3.2
66.83581	2.7
67.05497	63.7
67.53938	3.0
69.03421	6.6
69.07060	31.5
70.45937	7.9
70.46342	6.0
73.64226	2.8
79.05485	63.1
81.03417	5.9
81.07047	50.3
83.04989	9.7
83.08623	29.9
89.12984	2.9
91.05476	46.0
93.07033	43.8
95.04971	31.7
95.08596	34.7
97.06556	18.6
97.10161	29.1
105.07016	38.0
107.04946	12.3
107.08582	100.0
109.06481	9.8
109.10165	23.1
111.08118	4.0
117.07005	15.4
119.08582	30.7
121.06458	3.3
121.10146	25.6
123.08057	7.2
125.09630	21.9
131.08540	15.8
133.06453	3.5
133.10107	22.3
135.11693	5.8
137.09601	21.6
139.11162	5.8
145.10092	17.4
147.11673	13.7
149.09599	25.7
149.13203	3.6
151.11212	5.3
152.55565	3.4
159.11684	10.9
161.13269	7.4
163.11111	7.5
173.13295	7.1
189.11208	18.1
205.12305	3.4
229.19435	4.0
239.17874	6.2
247.20441	5.0
257.19000	9.8
275.20035	88.1
293.21082	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	4.0
55.01873	9.0
55.05278	2.0
55.05500	21.2
57.03418	2.7
65.03937	2.3
67.05496	43.6
69.03424	1.9
69.07056	20.2
71.03071	3.3
71.04970	5.1
79.04726	1.5
79.05050	2.0
79.05481	47.0
81.03397	7.8
81.07047	100.0
83.04956	4.6
83.08614	12.8
85.06520	2.7
85.95398	1.7
91.04945	2.5
91.05471	31.9
93.07025	33.0
95.04947	21.0
95.08587	30.5
97.06493	9.3
97.10133	6.6
104.49416	1.8
105.07014	34.7
107.04924	10.5
107.08577	23.1
109.06506	26.1
109.10139	18.2
111.08054	5.2
117.07001	10.2
119.08562	30.7
121.06473	6.6
121.10114	16.0
123.08013	12.3
123.11675	7.1
125.09577	5.6
129.06955	1.8
131.08536	13.9
133.09192	2.6
133.10114	26.8
135.08028	7.8
135.11642	7.9
137.09566	10.1
143.08594	1.8
145.06506	2.1
145.10101	12.9
147.07982	1.9
147.11650	22.1
147.37126	1.9
149.09598	11.8
149.13184	3.1
151.11140	5.5
155.08531	2.6
155.71992	1.7
157.10136	3.4
159.08055	2.0
159.11641	8.8
161.13239	5.5
163.11174	11.1
165.09073	2.0
165.12706	3.9
169.10152	2.0
171.11676	3.1
173.09508	2.7
173.13249	6.6
175.11154	3.2
175.14871	1.9
178.10062	1.7
183.11662	2.8
193.12233	2.5
219.13698	2.8
221.15439	1.8
229.19362	3.3
239.17960	5.2
247.20587	5.2
257.19040	9.0
275.20029	70.7
276.20538	2.3
293.21051	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.04781	1.7
53.03949	2.7
55.01853	8.6
55.05502	33.5
65.03946	2.0
67.05492	21.9
69.03408	1.6
69.07055	8.4
70.00111	8.8
74.96292	1.6
79.05481	51.5
79.05938	3.0
81.03401	3.4
81.07047	21.5
83.04942	3.8
83.08611	13.3
91.05462	29.7
93.07035	21.3
95.04970	3.8
95.08591	14.4
97.06534	6.4
97.10149	21.5
105.07008	32.8
107.04944	7.1
107.08577	100.0
109.06497	6.2
109.10120	5.1
117.07002	6.1
119.08549	13.5
121.06502	1.7
121.10118	9.0
123.08044	2.7
123.11661	3.2
125.09604	18.0
129.06978	3.3
131.08533	7.7
133.10101	17.3
135.08060	5.8
135.11684	3.5
145.10095	15.0
147.11665	13.1
149.09598	20.2
151.11194	3.4
153.09105	1.9
154.34329	1.7
157.10106	3.5
159.11674	6.8
161.09581	2.2
161.13217	4.5
163.11229	2.7
165.09138	2.7
169.10173	2.0
171.10216	2.0
171.11592	3.1
173.05988	1.7
173.13135	1.8
177.71109	1.7
189.11147	15.1
201.05449	1.9
229.19467	2.9
239.17966	3.9
257.19003	8.9
275.20010	64.1
276.20227	3.6
293.21133	8.0
310.15405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	7.0
55.01852	11.9
55.05502	24.4
57.03421	11.8
58.95769	2.9
67.05498	38.2
69.03413	2.6
69.07055	25.3
71.04948	2.7
71.81712	3.4
73.68786	3.1
79.05482	45.1
81.03387	6.5
81.07040	34.0
83.04960	7.7
83.08611	11.3
85.06517	5.5
91.05471	39.3
93.07029	47.3
95.04955	19.7
95.08584	27.1
97.06518	20.0
97.10149	10.1
105.07011	39.7
107.04918	10.4
107.08585	67.5
109.06509	13.2
109.10142	10.0
117.07007	10.0
119.08565	26.1
121.06500	3.4
121.10156	16.0
123.08025	5.2
125.09583	8.8
129.06926	4.0
131.08522	16.5
133.10114	22.6
135.08038	8.2
135.11629	6.7
137.09590	4.2
140.18242	3.0
143.08565	4.9
145.10114	13.2
146.19635	3.3
147.11685	13.5
149.09615	17.7
149.13287	3.3
159.11684	18.2
161.09634	4.0
161.13257	5.2
163.11186	7.6
173.13251	7.6
175.11111	4.1
175.14713	3.0
177.12802	2.9
183.11609	3.3
185.13206	9.9
189.11246	6.5
201.16315	3.0
203.14404	8.8
219.17378	28.4
221.15286	14.1
229.19427	4.1
237.14890	4.3
239.17957	6.7
247.20587	4.9
257.18945	11.9
275.20004	100.0
276.20386	3.1
293.21088	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01866	4.2
55.05495	7.3
56.53972	2.9
56.96556	20.5
57.03414	7.2
57.07051	12.4
59.04969	3.6
60.26049	3.5
61.02901	8.7
67.05502	43.0
69.03421	24.7
69.07060	9.3
69.51251	25.5
69.64565	3.4
70.06549	4.3
71.04973	7.7
73.02883	6.0
79.05469	9.9
81.03404	9.7
81.07053	31.8
84.04422	4.3
84.96018	5.7
85.02396	5.6
85.02895	81.7
85.06524	7.5
87.04446	5.0
91.03962	5.5
91.05457	7.4
93.07011	8.1
95.04974	26.9
95.08589	23.4
97.02880	22.5
97.06487	4.2
97.96804	3.6
98.97585	28.0
99.04454	3.7
105.07025	8.3
107.08586	4.4
109.02834	8.3
109.10132	14.4
113.05984	44.0
115.03898	5.0
116.98619	25.2
119.04932	4.3
120.08028	3.8
121.06443	4.8
123.11691	8.5
127.03943	17.4
131.07019	100.0
134.99654	18.9
137.06021	5.1
138.09111	3.1
138.68857	3.3
143.00102	6.0
145.04938	15.1
146.99609	4.9
147.04404	10.7
149.05899	3.1
153.00742	3.6
158.99626	5.2
160.05209	5.0
161.01202	11.3
173.01126	4.2
177.00734	6.4
181.08565	13.9
219.01649	4.4
251.04387	5.7
269.05450	15.6
275.09348	3.9
275.20181	6.6
293.05533	9.3
293.10141	14.8
293.21017	8.8
293.24661	8.1
295.18408	3.7
311.06564	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.01467	2.0
53.03935	6.7
55.01866	11.3
55.05500	26.7
56.96552	6.3
57.03420	4.0
57.07065	6.7
65.03932	2.9
67.05494	56.2
68.52428	2.1
69.03407	4.1
69.07054	38.0
69.90067	13.6
70.06599	1.9
71.04990	4.4
71.08615	5.0
79.05480	38.2
81.03397	5.8
81.07043	100.0
83.04962	5.9
83.08603	21.1
84.08120	2.3
85.06544	8.4
85.10200	2.2
91.05461	22.7
93.07031	38.6
95.04948	14.2
95.08591	54.0
97.02888	3.2
97.06544	13.7
97.10157	15.0
98.21434	4.0
99.08064	4.9
103.05447	5.0
105.07019	26.8
107.04960	8.0
107.08571	32.3
107.09246	2.6
108.23794	2.0
109.06498	22.4
109.10133	31.5
111.08060	7.8
111.11715	2.4
115.05470	2.2
117.06966	10.8
119.08548	18.2
120.11647	1.9
121.02848	2.2
121.06482	5.6
121.10114	19.9
123.08054	10.7
123.11678	14.3
125.09630	10.1
129.06973	3.9
131.04936	10.3
131.05807	2.0
131.08569	10.6
133.10103	20.4
135.08037	9.3
135.11696	13.6
137.09602	7.3
137.13248	4.1
143.08583	3.1
145.10091	12.1
147.07993	2.5
147.11636	17.4
149.09630	13.4
149.13246	6.0
151.07524	3.5
151.11160	6.5
157.10136	4.9
159.11671	8.4
161.09694	2.2
161.13196	5.4
163.11176	8.4
163.14754	4.1
165.12735	4.6
169.10133	4.5
171.11717	2.8
173.09628	3.1
173.13283	4.8
177.12744	4.9
181.08656	2.5
181.12160	3.0
183.11687	3.7
187.14784	2.4
189.11176	3.4
201.12679	2.6
215.17982	2.5
229.19632	3.3
239.18025	3.7
247.20638	5.3
250.06226	3.3
253.11118	4.9
257.18799	10.1
259.12390	3.9
271.12201	6.4
275.20029	57.2
275.27356	2.3
276.20425	2.4
278.05484	3.5
293.08102	8.6
293.15549	3.7
293.21091	26.0
293.24463	2.8
293.24988	3.2
293.28018	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03922	2.1
55.01859	5.1
55.05504	21.7
56.96553	1.7
57.03433	7.3
57.07069	2.6
65.03920	1.9
67.05497	26.4
69.03406	1.8
69.07056	11.2
71.04961	1.4
77.03902	1.2
79.05484	45.0
81.03382	2.2
81.06609	2.0
81.07045	27.4
83.04960	4.4
83.08609	13.9
85.06527	4.8
91.05468	34.3
93.07034	32.6
95.04972	6.0
95.08595	19.1
97.06523	6.2
97.10163	14.1
99.08068	2.9
103.05440	1.3
105.04481	1.2
105.07014	43.8
107.04939	3.9
107.08578	100.0
108.08926	2.0
109.06510	11.1
109.10153	8.0
111.08045	4.0
112.06712	1.1
115.05450	1.3
117.07018	8.2
119.08564	24.6
121.06506	2.7
121.10129	11.4
123.08051	4.1
123.11652	2.7
125.09608	12.2
129.06975	3.1
131.04926	1.4
131.08548	11.0
133.10109	19.0
135.08028	3.9
135.11668	5.6
137.09592	3.1
141.06912	1.3
142.07825	1.4
143.08502	4.0
145.10114	16.6
147.08009	1.4
147.11673	17.5
148.20651	1.1
149.01144	1.3
149.09596	11.8
149.13205	2.1
151.07610	1.3
151.11183	1.8
153.09105	1.4
155.08525	2.1
157.10106	3.9
159.11679	12.7
161.09641	2.1
161.13269	7.3
163.11174	3.9
169.10117	2.2
171.11649	2.5
173.13203	7.0
175.11201	1.3
175.14818	1.6
181.12143	2.3
183.11646	2.4
185.13242	12.2
189.11220	9.2
189.16463	1.3
197.13297	2.7
201.16293	2.7
203.14337	7.9
209.74562	1.1
219.17412	13.2
221.15413	8.1
233.15482	1.3
239.17949	7.2
244.09572	1.6
257.18954	12.3
275.20029	83.9
276.20358	3.6
293.11774	1.3
293.14969	1.3
293.21045	12.5
293.24350	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	292.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
55.05487	3.0
56.96549	15.4
57.03424	5.2
61.02918	2.4
61.93670	1.8
67.05496	41.0
69.03423	11.7
69.03742	2.3
69.07053	21.4
69.90063	2.4
70.06570	5.9
71.50515	3.7
81.03413	6.5
81.07033	3.5
83.04951	2.1
84.08126	14.7
84.96012	4.9
85.02895	21.1
85.06527	13.6
86.06052	2.1
87.04453	3.4
91.05463	3.7
94.06595	2.8
95.04949	12.9
97.02892	11.2
98.97565	16.3
107.08568	2.7
109.02882	3.0
112.02188	4.0
112.07588	100.0
113.06001	17.5
115.97797	2.7
116.98597	16.2
121.49898	2.1
127.03884	3.3
130.06494	1.9
130.08617	28.5
131.07027	9.2
134.99640	14.0
143.00131	5.1
146.01245	3.1
146.99626	2.9
147.04405	3.4
149.01192	2.8
161.01170	8.9
164.02350	5.0
172.09740	2.2
173.01251	2.6
175.02827	2.0
177.00740	4.7
181.08559	5.1
182.03288	2.7
182.69144	2.0
191.02251	3.3
195.06010	2.6
195.55734	3.2
204.56235	5.8
232.06093	2.2
233.03577	2.2
237.02852	3.6
251.04309	6.0
269.05392	13.3
276.07498	4.8
283.93381	2.1
287.06421	4.0
289.98059	2.1
292.08838	6.0
293.05353	3.2
311.06451	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	293.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10816	0.6
56.96557	47.7
57.03436	1.3
69.03411	2.5
69.88893	4.2
70.06593	0.7
70.98109	3.1
71.95252	3.4
73.02914	1.6
73.40427	0.6
74.97585	1.3
81.03394	1.2
84.96024	21.1
85.02898	2.4
87.04465	1.2
88.99155	1.1
91.66702	0.6
95.08568	0.7
97.02875	1.6
97.96785	7.0
98.21474	1.0
98.97569	100.0
101.43108	0.6
102.97044	2.6
107.15820	0.7
110.97564	7.0
112.99133	2.3
115.03962	0.7
115.97839	2.9
116.98607	66.2
121.01656	0.8
124.99079	5.9
127.00714	0.8
127.03951	0.8
128.98598	8.9
131.00163	9.6
134.99648	24.8
136.99109	0.9
139.00641	1.2
140.00166	1.8
140.98604	2.5
141.99347	3.7
143.00154	24.3
145.01706	1.3
146.99615	4.1
149.01204	5.2
150.99152	0.7
152.98608	1.2
153.00693	3.5
155.00101	4.2
157.01712	5.8
158.01231	1.2
158.99620	7.3
160.00467	3.2
160.03093	0.7
161.01218	18.5
161.02625	0.7
170.99629	2.1
172.97632	1.4
173.01184	9.2
173.98354	1.3
174.99171	1.1
175.02776	5.0
177.00682	9.0
179.02316	1.6
181.41270	0.7
181.99037	0.6
182.99622	2.0
185.01234	0.9
189.00703	1.6
189.02315	0.7
190.98654	3.6
191.02264	9.9
191.03932	1.3
193.03882	0.8
195.01778	1.2
199.99989	0.9
201.00732	4.2
203.02304	1.5
205.00330	0.8
208.99715	0.8
209.03352	1.7
215.02313	1.2
219.01686	7.9
232.99620	2.1
233.03267	8.4
237.02765	8.9
251.00833	2.0
251.04340	23.2
269.05405	52.7
270.05573	1.0
276.07294	0.9
287.06454	14.3
292.07047	2.6
293.05399	24.8
293.11023	1.0
311.06454	95.1
312.06891	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00710	12.8
81.30786	5.0
87.37446	5.0
90.36111	4.9
98.21412	6.3
104.36120	4.3
106.23582	5.0
116.98610	6.9
127.20283	4.1
129.53236	4.3
161.99503	4.9
191.60706	5.4
224.86818	4.9
293.06268	100.0
313.68680	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	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03932	3.2
55.01856	4.2
55.05264	4.0
55.05500	25.4
57.07043	5.6
65.03926	12.1
67.05500	39.4
69.07056	40.7
71.04988	3.0
71.60249	3.3
74.69606	1.9
78.75254	2.3
79.05475	24.4
81.03416	2.7
81.07045	100.0
83.04945	3.9
83.08612	17.4
84.04517	2.3
85.06525	18.2
91.05461	15.2
91.16463	2.2
93.03384	13.2
93.06455	2.5
93.07034	48.8
93.07600	4.2
95.04970	7.0
95.08590	84.2
97.02889	8.6
97.06540	5.1
97.10162	8.5
99.08092	13.5
103.05521	2.9
105.07008	18.1
107.08579	65.4
107.76634	2.4
108.08960	2.4
109.02866	3.3
109.06550	3.2
109.10136	48.0
110.03624	4.6
111.04395	3.5
111.08070	3.0
111.11716	3.5
113.09589	2.6
115.05437	4.9
119.04951	2.7
119.08558	17.0
121.10121	37.3
123.11691	28.8
124.05213	6.3
125.06016	5.7
125.09643	5.0
128.06187	10.1
129.07014	36.9
130.07352	2.9
131.08549	2.6
133.10139	14.1
135.11687	29.9
137.05978	4.2
137.13246	6.5
139.03906	4.7
139.05396	7.3
141.06963	12.7
143.08514	3.5
145.02826	4.8
145.06429	3.6
147.04384	7.2
147.11649	8.3
149.02357	2.6
149.13229	50.0
151.03914	16.0
152.18933	2.2
156.05588	2.4
157.06480	42.7
158.06918	3.1
160.05048	3.4
161.05974	5.7
161.13272	7.6
162.75626	2.3
163.07539	2.8
163.14795	32.4
167.03532	3.8
167.04787	11.2
169.06465	13.6
173.43607	2.1
174.06738	3.5
175.07507	3.1
175.14850	2.6
177.05470	4.4
177.16367	16.0
181.15784	3.3
184.05298	4.4
185.05937	17.2
187.07404	6.1
188.08319	8.8
189.09087	31.1
190.09361	3.8
191.17929	3.3
199.07527	22.9
200.04666	4.2
201.09128	3.3
203.07031	4.0
209.18878	2.8
213.05479	7.6
214.06079	3.1
215.06989	10.1
217.08568	30.6
217.19563	4.5
218.08983	3.1
221.18980	5.0
227.06979	25.3
228.07220	2.7
230.15398	5.3
231.21452	2.6
235.20555	4.3
245.08058	75.8
246.08453	7.2
249.03963	3.1
273.07544	9.0
273.25839	4.4
291.05551	5.0
291.08554	57.7
291.19516	3.0
291.26779	47.8
292.09015	3.9
292.16019	3.2
292.19040	21.5
294.41272	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92437	2.2
52.48947	2.1
53.03947	4.4
55.01881	2.8
55.05499	26.7
57.07063	6.6
65.03925	10.7
67.05494	45.8
69.07058	41.1
71.08614	3.0
71.58618	4.5
77.03958	2.5
79.05477	23.4
79.42167	2.6
79.72429	2.3
81.07044	100.0
81.65064	2.0
83.04942	3.7
83.08603	18.9
85.06536	21.0
91.05470	16.7
93.03391	10.0
93.07033	49.3
95.01315	2.6
95.04964	5.7
95.08591	88.8
97.02879	6.3
97.06525	4.5
97.10167	11.8
99.08080	12.2
103.05471	3.2
105.07026	19.4
107.08570	57.5
109.02865	5.3
109.06477	2.7
109.10150	49.0
110.03660	3.4
111.04417	3.0
111.08090	3.9
111.11690	4.9
113.09628	4.6
115.05470	3.9
115.17092	2.6
117.03335	2.5
119.08594	13.7
119.09308	2.7
121.02843	3.2
121.10130	43.7
123.11689	25.7
124.05196	5.0
125.06022	4.3
125.09624	3.6
128.06203	12.6
129.06992	37.0
131.04912	2.8
131.08560	3.3
133.06497	2.9
133.10150	11.7
135.11658	29.8
137.13232	6.9
139.03865	4.0
139.05431	4.7
141.06975	7.0
143.08485	3.4
145.02827	5.7
145.06491	2.9
147.04381	7.0
147.11659	10.3
149.13231	53.9
151.03868	12.2
151.14769	2.6
156.05711	4.6
157.06474	35.0
158.06898	2.4
161.05989	5.0
161.13271	7.7
162.09125	2.5
163.14793	29.9
167.03473	4.0
167.04938	7.0
169.06485	10.0
174.06778	4.0
175.07507	3.7
175.14828	4.4
177.05373	5.3
177.16347	16.1
178.16849	2.2
181.69246	2.5
184.05244	2.9
185.05978	16.4
187.07555	8.0
188.08301	10.5
189.09068	25.3
189.16460	3.6
191.17952	7.3
195.04320	4.2
199.07536	18.2
201.67389	2.2
201.91829	2.8
202.06296	2.7
203.06906	2.6
203.17863	3.6
213.05461	6.1
215.07083	8.5
217.08578	24.8
217.19545	6.2
221.18962	3.2
227.06996	18.3
228.07491	2.7
230.15408	5.4
235.20506	3.3
245.08049	62.9
246.08444	10.1
258.73532	2.3
273.07568	8.0
273.25757	8.2
291.08508	53.8
291.19586	4.1
291.26736	55.5
292.09134	3.4
292.19086	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.92437	2.2
52.48947	2.1
53.03947	4.4
55.01881	2.8
55.05499	26.7
57.07063	6.6
65.03925	10.7
67.05494	45.8
69.07058	41.1
71.08614	3.0
71.58618	4.5
77.03958	2.5
79.05477	23.4
79.42167	2.6
79.72429	2.3
81.07044	100.0
81.65064	2.0
83.04942	3.7
83.08603	18.9
85.06536	21.0
91.05470	16.7
93.03391	10.0
93.07033	49.3
95.01315	2.6
95.04964	5.7
95.08591	88.8
97.02879	6.3
97.06525	4.5
97.10167	11.8
99.08080	12.2
103.05471	3.2
105.07026	19.4
107.08570	57.5
109.02865	5.3
109.06477	2.7
109.10150	49.0
110.03660	3.4
111.04417	3.0
111.08090	3.9
111.11690	4.9
113.09628	4.6
115.05470	3.9
115.17092	2.6
117.03335	2.5
119.08594	13.7
119.09308	2.7
121.02843	3.2
121.10130	43.7
123.11689	25.7
124.05196	5.0
125.06022	4.3
125.09624	3.6
128.06203	12.6
129.06992	37.0
131.04912	2.8
131.08560	3.3
133.06497	2.9
133.10150	11.7
135.11658	29.8
137.13232	6.9
139.03865	4.0
139.05431	4.7
141.06975	7.0
143.08485	3.4
145.02827	5.7
145.06491	2.9
147.04381	7.0
147.11659	10.3
149.13231	53.9
151.03868	12.2
151.14769	2.6
156.05711	4.6
157.06474	35.0
158.06898	2.4
161.05989	5.0
161.13271	7.7
162.09125	2.5
163.14793	29.9
167.03473	4.0
167.04938	7.0
169.06485	10.0
174.06778	4.0
175.07507	3.7
175.14828	4.4
177.05373	5.3
177.16347	16.1
178.16849	2.2
181.69246	2.5
184.05244	2.9
185.05978	16.4
187.07555	8.0
188.08301	10.5
189.09068	25.3
189.16460	3.6
191.17952	7.3
195.04320	4.2
199.07536	18.2
201.67389	2.2
201.91829	2.8
202.06296	2.7
203.06906	2.6
203.17863	3.6
213.05461	6.1
215.07083	8.5
217.08578	24.8
217.19545	6.2
221.18962	3.2
227.06996	18.3
228.07491	2.7
230.15408	5.4
235.20506	3.3
245.08049	62.9
246.08444	10.1
258.73532	2.3
273.07568	8.0
273.25757	8.2
291.08508	53.8
291.19586	4.1
291.26736	55.5
292.09134	3.4
292.19086	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02363	1.9
53.03934	6.1
55.01864	10.1
55.05502	43.1
57.03417	8.6
57.06839	1.7
57.07069	17.8
59.04976	5.1
59.74027	1.6
65.03923	11.6
67.05141	3.8
67.05497	57.8
69.03410	7.1
69.07060	47.5
70.07381	1.9
71.04974	5.6
71.08622	10.0
71.63684	2.7
79.05482	53.0
81.03410	10.0
81.07043	100.0
83.04973	10.3
83.05370	1.8
83.08612	20.9
85.06539	10.0
85.10152	2.3
91.04919	4.1
91.05466	48.8
93.03371	8.2
93.07033	75.2
94.07350	2.2
95.04950	25.0
95.08593	81.8
96.08875	2.4
97.02876	5.7
97.06499	6.3
97.10170	15.7
99.08089	1.9
100.93267	1.8
103.05439	4.3
105.03392	5.0
105.07012	49.8
107.04946	22.9
107.08583	63.3
107.15989	1.7
109.02834	3.0
109.06504	11.6
109.10142	46.2
110.03676	2.4
111.08055	6.5
111.11716	3.4
115.05439	9.4
117.06996	15.6
119.04939	5.1
119.07728	3.5
119.08566	49.8
120.08927	2.3
121.02857	2.4
121.06500	12.6
121.10133	44.7
123.04388	4.1
123.08044	12.0
123.11698	19.3
124.05143	4.2
125.05948	4.7
125.09600	6.5
128.06223	11.5
129.06993	45.7
130.07265	2.0
131.04900	4.3
131.08554	15.8
133.06490	4.7
133.10107	24.8
135.08035	22.1
135.11671	30.7
137.05942	5.4
137.09584	6.0
137.13231	5.4
139.03896	6.1
139.05426	4.3
141.06972	12.0
143.08543	8.1
145.06448	5.0
145.10046	12.8
147.04356	11.2
147.08000	12.8
147.11667	23.5
149.02400	3.0
149.09624	11.0
149.13243	38.7
151.03914	9.1
151.07541	5.3
151.11247	2.3
151.14810	3.6
155.04878	3.0
156.05673	3.6
157.06459	39.0
157.10109	7.2
159.08018	3.8
159.11673	7.5
161.05928	6.4
161.09596	12.2
161.13254	14.3
163.07579	3.8
163.11201	5.8
163.14828	14.6
165.09052	2.9
165.12758	5.1
165.16277	2.7
166.50819	1.8
167.03459	2.7
167.04886	6.9
167.08575	1.9
169.06447	9.5
171.04309	2.3
171.08032	2.1
171.11710	5.3
173.09578	2.9
173.13243	3.8
174.06737	3.7
175.07570	3.2
175.11119	4.4
175.14828	4.9
177.05504	4.5
177.16357	6.3
179.06906	2.3
184.05186	4.6
185.05925	13.2
185.13232	3.7
187.07515	8.7
188.08290	7.3
189.05463	3.9
189.09067	24.8
189.11011	2.9
189.12737	3.3
189.16364	6.9
191.10866	2.3
191.17917	2.5
195.04387	3.3
199.07526	20.3
199.11230	2.8
203.06999	3.2
203.17921	3.7
204.07808	7.5
205.08583	6.9
207.06448	2.2
207.13757	2.1
212.04605	2.2
213.05479	5.0
215.06956	5.9
217.08560	26.0
217.15837	3.1
217.19475	5.2
218.08955	2.4
223.13097	2.4
227.07042	20.4
231.10188	2.4
233.22647	2.6
245.08073	63.4
245.18987	5.6
246.08434	5.0
247.05856	2.2
247.24327	2.8
249.03943	2.5
249.14838	3.6
255.06424	3.1
255.17314	5.2
263.09079	2.7
273.07516	7.1
273.18430	34.8
273.25708	22.1
274.18823	4.6
291.08646	49.8
291.12366	8.6
291.19519	63.5
291.23053	4.4
291.26773	51.6
292.19852	4.7
292.26956	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2312
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.05649	1.8
53.03927	3.6
55.05496	20.4
67.05492	34.4
68.25661	2.2
69.07060	18.2
71.10649	5.6
79.05479	80.7
81.07039	52.9
83.08605	9.4
85.06526	4.5
91.05458	31.0
93.07028	100.0
95.04953	6.7
95.08588	32.5
97.06456	2.8
97.10123	3.4
105.07001	17.6
107.07824	3.3
107.08567	58.1
109.06503	2.6
109.10146	17.8
117.06963	3.5
119.08565	13.6
121.10121	44.9
123.08017	1.9
123.11679	4.6
131.08539	5.0
133.10121	17.9
135.07979	2.7
135.11664	62.6
143.08620	2.5
145.10051	4.3
147.11650	9.9
149.09637	4.6
149.13231	40.1
159.11540	4.1
161.13239	9.0
163.11124	2.9
163.14746	11.3
171.11678	4.1
173.13168	3.2
175.14816	4.4
177.12633	2.2
185.13293	3.7
189.12611	2.1
195.13805	2.8
213.16324	2.0
241.19414	3.3
259.20544	9.3
291.23135	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03949	2.8
55.01865	4.4
55.05504	25.4
57.03442	4.2
57.07058	8.2
63.75964	1.7
65.03931	12.2
66.61022	1.9
67.05493	48.8
69.03409	5.9
69.07056	35.6
71.04969	2.3
71.08618	3.2
71.58681	3.0
78.64926	1.6
79.05482	34.9
81.03418	4.2
81.07045	100.0
83.04963	3.3
83.08598	14.8
85.06532	17.5
91.05456	22.1
93.03381	12.0
93.07028	54.1
94.02771	1.7
95.04961	8.2
95.08591	78.1
97.02896	8.5
97.06519	8.4
97.10151	9.0
98.06866	2.5
99.08077	8.1
103.05452	3.7
105.07025	18.7
107.04948	3.8
107.08580	49.4
107.09267	3.8
109.02857	3.9
109.06511	8.4
109.10143	47.8
110.03670	2.2
111.04468	2.6
111.08096	2.3
115.05428	6.4
117.06995	5.5
119.04930	6.5
119.08549	15.4
121.02808	2.7
121.06495	1.9
121.10127	28.3
123.11681	28.9
124.05201	4.3
125.05971	4.4
125.09614	5.8
127.03851	4.4
128.06197	12.4
129.06995	32.1
131.04898	3.7
131.08575	6.3
133.06471	2.9
133.10092	13.5
135.08090	9.5
135.11671	30.7
136.06097	1.9
137.05954	2.8
137.13242	5.9
139.03868	4.9
139.05415	6.8
141.06940	9.8
143.08533	4.3
145.02806	4.8
145.06448	6.2
145.10112	6.1
147.04388	18.5
147.08128	2.9
147.11661	12.6
149.02341	3.7
149.09608	2.3
149.13232	37.1
149.14336	3.4
151.03899	12.6
151.14844	2.3
157.06450	32.4
158.07133	2.8
159.08026	2.3
160.05171	1.9
161.05936	5.9
161.09627	2.8
161.13234	5.3
163.14804	16.5
167.03502	1.8
167.04916	9.1
169.06450	8.5
171.08040	3.8
173.05980	4.5
173.13269	2.4
174.06725	4.4
175.07532	4.8
175.14748	2.9
177.05418	4.5
177.16331	9.3
181.06471	1.8
184.05179	4.9
185.05899	13.9
187.07527	8.4
188.08284	6.4
189.05467	3.1
189.09081	30.1
189.16408	5.7
190.09373	2.6
191.17964	6.7
195.04362	4.0
199.07545	22.8
200.04684	4.7
201.09129	6.5
203.06990	3.9
203.08748	2.1
203.17970	4.3
213.05444	7.9
215.07043	7.9
217.08589	24.5
217.15906	2.8
217.19481	4.5
221.19029	3.0
227.07002	27.5
228.07289	2.4
229.08575	23.3
231.06357	2.7
235.20625	3.6
245.08061	84.3
246.08446	6.7
248.08369	2.4
255.06483	4.7
273.07486	18.9
273.18484	6.1
273.25760	7.1
280.09778	2.0
291.08514	51.1
291.19696	12.9
291.26801	52.3
292.08844	5.7
292.26978	1.9
294.97513	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	291.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33047	1.5
51.02361	1.8
53.02240	1.4
53.03939	3.9
55.01853	6.3
55.05505	29.5
57.03421	2.0
57.07055	2.3
67.05141	2.6
67.05498	46.7
69.03406	2.6
69.07066	18.7
70.14584	5.5
71.04983	2.5
71.08643	1.7
73.06516	1.9
78.24605	1.4
79.05481	71.7
80.05810	2.0
81.03390	2.2
81.07046	57.1
83.04972	3.0
83.08607	13.0
85.06521	3.9
91.05468	39.9
93.07033	100.0
95.04974	10.8
95.08009	2.4
95.08595	38.6
97.06508	4.4
97.10148	7.1
98.20854	2.0
105.04510	2.8
105.07014	27.3
107.04938	6.0
107.08578	54.7
109.06470	7.4
109.10133	16.1
111.08033	5.9
117.07015	8.7
119.04969	2.1
119.08568	20.4
121.06518	4.7
121.10128	48.9
123.04436	2.0
123.07241	1.7
123.08038	9.1
123.11685	5.3
125.09635	4.2
129.07036	4.0
131.08549	9.9
133.06465	4.3
133.10123	15.1
135.08002	10.9
135.11674	55.8
137.09602	1.9
139.03902	2.1
141.06880	1.8
142.07677	1.8
143.08521	4.5
145.10107	8.9
147.08054	8.5
147.11623	14.3
149.09575	6.9
149.13245	29.4
151.07547	8.5
157.10127	5.3
159.11661	9.7
161.09569	1.8
161.13229	9.0
163.11189	4.8
163.14836	9.6
164.04626	1.8
171.11694	5.1
173.13239	4.9
175.11168	3.4
175.14792	4.9
177.12761	3.5
178.00157	1.7
179.06960	2.0
185.13263	4.5
189.12685	5.6
195.06619	1.7
199.14804	3.3
203.14183	2.1
207.11897	2.7
207.13686	7.7
213.16388	2.2
217.08315	1.8
217.15894	2.2
217.19341	2.6
233.15428	2.5
235.17038	2.3
241.19473	7.1
247.05945	2.9
249.14862	2.7
249.18510	3.8
259.20563	7.9
273.18430	7.2
277.69336	1.9
291.08499	8.8
291.19522	91.4
291.23135	50.2
291.26373	2.2
292.19867	4.6
292.23331	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	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02366	1.7
53.03927	3.3
55.01845	4.5
55.05282	2.2
55.05506	24.2
55.38385	1.6
57.07057	3.7
57.73395	1.4
65.03925	2.6
67.05155	2.6
67.05499	44.5
69.06749	1.9
69.07061	21.5
70.30614	6.1
79.05484	69.9
81.07047	60.3
83.04967	2.6
83.08622	11.0
85.06512	4.2
91.04935	2.2
91.05472	32.0
93.07032	100.0
95.04950	11.3
95.08595	42.1
97.06505	3.8
97.10135	7.1
99.08045	2.1
100.33160	1.5
105.07028	21.7
107.08578	64.0
109.06509	14.0
109.10136	17.4
111.08059	3.2
117.06982	6.7
119.08566	23.4
121.06444	2.2
121.09261	3.0
121.10131	56.4
123.08019	4.6
123.11668	4.8
125.09584	2.1
129.06989	4.5
131.08527	9.0
133.10112	18.3
135.08029	4.5
135.11674	51.7
137.09605	3.8
139.03793	2.0
139.11151	1.9
143.08539	5.2
145.10114	9.0
147.08087	2.0
147.11674	15.2
149.09572	5.7
149.13242	41.0
151.07542	2.7
157.10088	3.0
159.11691	7.5
161.09668	1.7
161.13203	8.0
163.11143	3.0
163.14799	14.7
165.12727	7.5
170.87727	1.7
171.11723	2.0
173.13255	3.4
175.11168	2.2
175.14804	5.4
177.12860	2.2
177.16394	1.6
179.07080	1.6
185.13219	5.6
189.12730	2.6
191.14409	1.8
199.14812	2.4
207.13689	2.4
213.16470	1.9
217.19392	3.9
221.15225	1.8
235.16858	4.4
241.19505	7.4
249.18529	3.7
259.20615	9.2
273.18451	2.8
291.08572	6.5
291.19623	9.0
291.23126	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03924	3.1
55.01851	10.0
55.05499	26.9
57.03428	100.0
57.03714	5.1
57.07064	4.3
65.03925	7.7
65.86824	2.5
67.05491	72.6
69.03417	5.5
69.07055	21.0
71.04984	4.6
71.08241	4.2
71.08594	6.0
79.05481	50.8
81.07044	55.1
83.04977	5.9
83.08601	17.0
85.06534	20.4
91.05469	80.1
91.85358	2.7
93.07030	47.2
95.04963	11.1
95.08584	30.3
97.06503	7.3
99.04426	3.1
99.08010	3.4
103.05407	3.1
105.03415	3.6
105.07018	56.2
107.04929	21.3
107.08569	25.4
109.06500	44.2
109.10139	12.7
111.08035	7.1
115.05398	8.2
117.07001	48.6
119.08559	30.7
121.06470	7.5
121.10160	16.3
123.07986	4.4
125.09657	4.0
128.06189	3.1
129.06967	26.6
129.32686	2.8
130.07768	2.8
131.07640	4.9
131.08539	47.3
133.06444	9.1
133.10120	18.5
135.08034	37.6
135.11703	6.3
137.09573	4.7
141.06958	8.9
143.08560	21.4
145.10095	39.0
145.26086	3.2
147.08041	30.0
147.11633	6.3
149.09569	15.2
149.13228	4.9
151.07494	3.5
155.08530	4.7
157.10095	25.8
159.07994	6.3
159.11620	15.2
161.09550	20.3
163.11198	6.8
169.10101	5.3
170.89188	2.8
171.11600	14.8
173.13197	8.0
175.11176	11.7
183.11667	6.9
189.12782	4.0
199.14836	17.2
201.12706	13.3
217.15836	59.2
219.13744	8.8
228.90247	3.0
233.15343	4.2
237.16406	3.9
245.07997	5.6
255.17430	8.9
273.18469	64.0
291.08401	4.3
291.19470	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	8.1
53.12651	2.6
55.01868	16.2
55.05501	56.2
57.03419	8.1
67.05500	41.3
67.98087	3.6
69.03408	10.0
69.07069	14.0
70.10588	17.0
71.04975	5.4
77.03934	4.0
79.05477	65.1
81.03410	6.7
81.07046	71.1
83.04980	10.1
83.08600	17.7
83.09019	2.6
91.05470	70.7
93.07037	31.0
95.04943	17.1
95.08585	17.3
97.06507	3.6
97.10149	23.0
103.05506	2.8
105.03397	4.4
105.07021	26.1
107.04954	17.2
107.08573	21.4
109.06516	7.2
109.10128	7.2
111.08072	2.9
115.05458	4.2
116.06237	4.2
117.07006	34.9
119.04910	5.6
119.08563	81.6
119.09415	4.2
121.06483	17.7
121.10140	8.6
123.08041	7.5
125.09616	27.5
129.06985	14.5
130.07788	3.3
131.08542	29.7
132.05695	3.8
133.06464	7.4
133.10138	8.9
135.08009	16.6
143.08569	20.2
145.10080	33.5
147.08025	56.9
149.09592	7.5
153.09109	5.2
157.10066	9.2
159.08052	5.7
159.11694	12.3
161.09605	8.4
163.11079	5.8
168.25278	3.2
171.11626	7.8
173.13211	3.6
177.09106	3.2
185.13225	5.6
189.11156	14.0
223.13219	3.2
227.17967	9.2
237.16383	5.0
245.18942	5.5
249.14783	14.6
255.17432	11.8
273.18451	100.0
274.18799	5.1
291.16342	5.8
291.19531	83.0
291.22781	4.9
292.19858	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03927	0.8
55.01869	2.1
55.05247	0.4
55.05504	7.6
57.03422	0.5
57.07067	0.2
59.04992	0.4
59.13767	0.2
65.03915	0.5
67.05499	4.2
69.03417	1.3
69.07063	3.3
69.58866	1.6
71.04975	0.7
79.05027	0.3
79.05486	6.3
81.03413	1.0
81.07048	6.0
81.15042	0.2
83.04971	1.2
83.08607	3.5
85.06527	0.5
91.04925	0.4
91.05469	6.3
93.07034	5.9
93.23817	0.2
94.04172	0.3
95.04945	2.8
95.08595	2.5
97.06485	0.5
97.10151	3.0
103.05421	0.5
105.03408	0.5
105.07022	6.1
107.04942	3.0
107.08572	2.8
108.05725	0.4
109.02855	0.3
109.06499	0.8
109.10146	0.7
115.05436	0.6
116.06251	0.4
117.07000	2.3
119.04938	1.6
119.08575	4.3
120.05704	0.6
121.06509	1.8
121.10135	1.2
123.08045	1.2
125.09605	1.4
128.06181	0.4
129.06982	1.4
130.07765	0.8
131.04929	0.2
131.08549	2.8
133.06482	3.6
133.10120	1.2
134.07234	1.1
135.08052	1.1
135.11650	0.6
137.09564	0.3
142.07773	0.2
143.08522	1.4
144.09160	0.3
145.06473	0.5
145.10115	1.8
147.08020	3.7
147.11658	0.4
148.08734	0.3
149.09575	1.0
149.13281	0.2
151.07591	0.3
151.11069	0.2
153.09123	0.2
157.10077	1.0
159.08061	0.2
159.11710	0.6
161.09608	1.1
162.10376	1.4
163.11140	0.7
165.09100	0.3
171.11638	0.4
175.11198	1.0
184.12544	0.2
185.13260	0.3
220.37891	0.2
221.11703	0.2
223.13164	1.1
247.05835	0.2
249.14900	2.2
255.17465	0.3
261.14911	0.4
262.15482	0.3
263.16400	0.4
273.18530	2.5
291.19504	100.0
292.19873	2.2
301.08902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03925	1.1
55.01863	2.3
55.05503	8.2
57.03421	0.5
57.07059	0.5
59.04965	0.5
65.03941	0.4
66.68279	0.3
67.05495	5.3
69.03429	1.5
69.07059	2.9
71.04984	0.4
71.22937	0.7
79.05480	8.4
81.03394	1.2
81.07043	7.5
83.04964	0.9
83.08604	3.6
85.06509	0.3
86.30652	0.3
89.06021	0.4
89.35374	0.3
91.05461	6.8
93.03431	0.3
93.07031	6.8
94.04176	0.6
95.04958	3.9
95.08590	3.8
97.06538	0.6
97.10142	2.8
103.05431	0.3
105.03361	0.6
105.06337	0.6
105.07008	7.9
107.04935	3.2
107.08570	4.2
108.05692	0.4
109.06503	1.3
109.10154	1.3
111.08042	0.7
115.05416	0.6
116.06207	0.5
116.29988	0.3
117.07008	3.2
119.04893	2.2
119.08566	5.5
120.05697	0.6
121.06484	2.4
121.10123	2.2
123.08068	2.1
125.09602	1.9
128.06166	0.5
129.06993	1.9
130.07730	0.6
131.04924	0.4
131.08563	3.1
133.06453	3.0
133.10072	1.4
134.07242	1.1
135.08034	2.1
135.11656	1.0
137.09610	0.3
142.07762	0.6
143.08577	1.5
145.06480	0.4
145.10065	2.1
147.08032	4.3
147.11626	0.6
149.09569	1.3
149.13268	0.5
150.50121	0.3
151.07550	1.5
157.10095	0.9
159.11662	0.8
161.09598	1.5
162.10358	1.0
163.11162	1.0
165.09126	0.4
169.10269	0.3
171.11676	0.9
173.13295	0.3
175.11151	1.0
189.12692	0.6
203.06754	0.4
205.12186	0.3
207.13776	0.8
223.13342	1.8
231.17264	0.3
245.18919	0.7
249.14816	3.3
255.17453	0.6
261.14832	0.7
273.18451	4.3
291.19489	100.0
292.19754	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	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.72391	0.8
53.03932	2.2
53.90293	1.0
55.01867	18.8
55.05509	9.0
57.03158	1.2
57.03431	17.0
57.07080	1.0
65.03924	2.5
67.05495	17.6
69.03419	2.0
69.07050	3.7
69.09178	0.7
70.12883	4.5
71.04980	1.7
71.49753	1.1
76.42661	0.8
78.04691	0.9
79.05485	40.7
81.07050	16.0
83.04973	2.7
83.08602	2.4
85.06527	3.2
86.76223	0.9
91.05470	28.6
93.07032	21.1
93.46032	0.8
95.04959	5.5
95.08589	7.2
97.06524	2.0
97.10133	1.0
105.07020	16.4
107.04957	10.2
107.08582	24.1
109.06506	65.6
109.10146	2.1
110.06832	1.0
113.06033	0.9
113.71532	0.9
115.05449	3.0
116.06245	1.4
117.07000	12.7
119.04854	1.0
119.06049	1.7
119.08579	6.3
120.91856	0.9
121.06494	4.2
121.10132	3.2
123.08074	2.8
128.06184	1.6
129.06967	6.0
131.08545	16.0
133.06464	2.7
133.10141	5.1
135.08038	100.0
135.11667	3.2
136.08415	1.6
137.09669	1.2
141.06967	1.8
142.07779	1.0
143.08559	6.5
145.10114	8.8
147.08041	4.0
147.11586	1.1
149.09575	6.4
149.13301	1.8
155.08540	1.2
157.10130	5.7
159.07980	1.5
159.11682	4.0
161.09601	7.1
163.11169	1.7
171.11697	2.4
173.13245	2.6
175.11235	2.1
177.12741	2.1
180.58476	1.1
183.11690	2.5
185.13202	1.9
187.11172	1.3
195.11676	1.2
199.11252	1.5
199.14729	4.1
199.56053	0.9
201.12755	2.3
210.77965	0.9
217.15868	17.0
217.53111	0.9
219.13789	1.2
228.03632	1.2
237.16479	1.0
245.19019	2.1
255.17464	2.3
273.18466	19.2
274.18802	1.6
291.19525	38.9
292.19836	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.76127	1.9
53.03930	4.9
55.01867	26.9
55.05503	23.5
57.03439	17.3
57.07055	2.6
65.03928	6.6
67.05140	4.2
67.05494	77.6
68.45878	2.3
69.03408	6.0
69.07047	10.7
70.84118	6.3
71.04969	3.6
79.05482	62.6
81.03375	3.5
81.07043	60.3
83.04957	6.3
83.08601	7.1
85.06532	4.4
90.23015	2.0
91.05467	51.0
93.07033	39.7
95.04953	100.0
95.08593	21.5
97.06522	6.8
97.10117	5.2
105.07014	33.3
107.04936	29.5
107.08577	29.7
109.06504	87.4
109.10123	5.0
111.08083	5.5
115.05434	4.3
116.98305	1.9
117.07002	21.5
119.08550	18.4
121.06467	13.5
121.10099	7.3
123.08043	3.6
129.06973	9.4
131.08553	23.5
133.06497	9.2
133.10097	8.6
135.08034	93.6
135.11642	7.0
137.05962	3.0
143.08553	10.0
145.10063	14.5
147.08017	13.5
147.11644	3.9
149.09627	7.6
149.13303	4.1
151.07523	4.6
157.10121	7.7
159.07968	2.7
159.11681	6.4
161.09627	10.8
163.11134	6.2
169.10118	4.1
171.11693	6.2
173.09525	3.0
175.11163	5.2
177.12761	3.0
185.13303	3.0
187.11230	2.8
199.11105	3.1
199.14838	5.5
217.15828	15.5
237.16402	2.4
245.18944	3.0
255.17293	2.8
273.18439	38.2
291.08566	3.4
291.19534	54.7
292.19827	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	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03928	0.9
54.02958	0.4
55.01870	2.8
55.05253	0.7
55.05505	10.5
57.03419	1.3
57.07034	0.4
59.04985	0.5
63.02051	0.4
65.03915	0.6
65.97082	0.4
67.05492	5.9
69.03413	1.4
69.07059	4.4
69.76829	2.8
71.04986	0.7
79.05482	9.4
81.03410	1.5
81.07047	10.7
83.04962	2.0
83.08599	3.9
85.06519	0.5
91.05476	9.7
93.07039	7.3
95.04957	5.1
95.08610	4.6
97.02956	0.5
97.06527	0.5
97.10165	4.6
103.05453	0.9
105.03398	0.6
105.07019	7.6
107.04946	4.5
107.08578	4.4
109.06501	2.0
109.10138	1.0
111.08098	0.8
115.05421	0.6
116.06231	0.5
117.07009	3.9
119.04947	2.3
119.08560	6.6
120.05705	0.5
121.06500	3.1
121.10120	2.2
123.08037	1.9
125.09618	2.7
128.06209	0.8
129.06999	2.4
131.08560	4.2
132.05675	0.4
133.06473	3.5
133.10117	1.7
134.07254	1.2
135.08089	2.3
135.11685	1.0
137.09575	1.2
143.08546	2.1
145.10101	4.2
147.08035	5.5
147.11713	0.9
149.09619	1.3
151.07495	0.7
157.10106	1.3
159.08049	0.8
159.11726	1.1
161.09590	2.0
162.10394	1.4
163.11157	1.5
165.09120	0.8
171.11610	0.6
175.11232	1.1
189.11212	1.3
189.12726	0.5
200.95084	0.4
223.13268	2.0
245.08061	0.5
245.18933	0.7
247.06055	0.8
249.14859	2.5
255.17471	0.9
258.98032	0.5
262.15494	0.6
273.18488	6.7
275.01059	0.5
291.08615	1.2
291.19504	100.0
292.19852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03913	1.5
53.84174	1.0
55.01856	2.6
55.05499	8.8
57.07047	2.8
59.04988	2.8
67.05490	4.6
69.03407	2.0
69.07043	2.2
70.83534	2.6
70.83865	1.2
71.04978	4.7
79.05470	10.1
81.07040	7.6
83.04957	2.9
83.08598	8.1
85.06513	2.5
86.23211	1.1
91.05474	6.2
93.07025	11.3
95.04950	4.6
95.08598	15.1
97.06517	4.8
105.07020	9.7
107.04944	13.2
107.08567	10.3
109.06486	8.8
109.10124	3.3
111.08068	43.7
113.09634	1.3
116.96119	1.2
117.06963	1.4
119.08564	9.1
121.06508	3.0
121.10136	7.2
122.07262	2.3
123.07167	2.4
123.08055	41.0
125.09618	2.0
129.06981	2.0
131.08536	5.4
133.06476	2.9
133.10143	6.1
135.08043	5.5
135.11650	2.3
137.09581	2.2
143.08545	2.3
145.10103	4.4
147.08041	3.1
147.11679	6.2
149.09628	7.9
149.52661	1.2
151.07523	100.0
155.10661	2.5
156.09377	2.4
157.10114	3.1
159.07994	2.5
159.11694	1.9
161.09596	2.7
163.11160	4.5
171.11714	2.7
173.13293	6.0
175.11185	4.5
177.09081	1.7
179.10628	4.9
181.12222	2.2
185.13293	1.7
189.12717	23.7
191.14252	11.4
192.11461	4.4
197.11720	14.1
197.13292	1.5
207.13785	62.0
213.16417	1.4
215.14253	3.2
217.12300	3.6
231.17383	2.4
233.15326	37.6
235.13329	2.0
249.18422	1.5
255.17265	2.3
273.18442	5.6
291.08566	1.5
291.19522	50.5
296.43567	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	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	1.1
53.42258	1.0
55.05492	4.0
57.07049	1.4
59.04973	2.7
67.05495	5.9
69.03412	1.4
69.07060	2.3
70.23517	5.4
71.04968	3.6
79.05490	6.4
81.07039	6.9
83.04949	3.0
83.08586	3.4
85.06499	2.9
87.98441	1.2
90.68678	1.1
91.05450	4.0
93.07021	9.7
95.04932	3.7
95.08607	12.6
97.06501	3.0
105.07021	10.1
107.04984	4.8
107.08585	6.5
108.05752	1.0
109.06494	7.3
109.10143	3.3
110.16805	1.0
111.08069	24.1
113.09711	1.0
117.06980	1.9
119.08583	8.6
121.06473	2.3
121.09352	1.1
121.10132	4.9
122.07245	2.8
123.07141	1.9
123.08046	34.9
123.11639	1.1
125.09727	1.1
129.06911	1.5
131.08556	5.1
133.06459	3.5
133.10117	7.2
135.08057	6.1
135.11667	2.8
137.09592	3.7
139.97240	0.9
143.08527	2.6
145.10110	10.4
147.07968	1.7
147.11681	5.7
149.09576	6.1
151.07515	100.0
153.59296	1.1
156.09309	2.0
157.10080	4.2
159.08040	2.4
159.11700	2.9
161.09584	4.1
161.13193	1.6
163.11154	3.8
171.11650	2.8
173.13206	3.9
174.10414	1.3
175.11143	3.7
177.09082	1.8
177.12737	2.0
179.10606	5.4
182.10936	1.0
187.11159	2.4
187.14864	1.3
189.12714	28.1
191.14238	4.4
192.11449	5.3
197.11716	13.1
197.13268	1.8
203.14275	1.8
207.13771	67.7
208.14104	1.3
213.16397	2.1
215.14272	3.4
217.12399	2.4
231.17433	1.4
233.15320	13.0
255.17374	2.5
273.18472	6.3
291.19482	37.0
291.27631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	Gerfelin
Peak:m/z	Relative Intensity
55.01861	2.5
59.04979	2.1
65.03928	13.1
67.05496	7.4
69.03413	1.3
70.01775	6.5
73.99380	1.3
81.03395	2.1
93.03399	13.2
95.01313	2.4
95.04949	5.1
97.02866	9.6
103.05439	2.4
105.07021	1.6
107.04942	1.8
109.02859	3.5
110.03628	4.1
111.04420	4.3
115.05470	5.6
121.02808	5.2
123.04424	3.1
124.05195	7.4
125.06029	6.9
128.06207	13.5
129.06993	42.3
131.04903	3.3
131.08533	1.5
133.06407	1.3
137.05943	5.2
139.03879	4.9
139.05397	5.6
141.06964	13.3
143.04865	1.8
145.02736	2.2
145.06464	5.1
147.04396	2.1
149.02303	2.6
149.05925	1.3
151.03885	17.4
155.04880	1.9
155.06041	1.7
156.05653	2.6
157.06477	49.9
160.05154	2.3
161.05977	8.1
161.09483	1.5
163.07497	2.0
164.07565	1.1
167.03392	5.4
167.04906	13.4
168.05606	2.3
169.06450	12.9
171.04381	2.1
171.07996	1.6
172.05273	2.0
173.05988	3.2
174.06757	6.3
175.07503	3.8
177.05450	5.7
184.05153	4.8
185.05975	23.3
187.07532	10.3
188.08305	10.0
189.09085	37.1
195.04405	3.3
197.05933	2.6
199.07512	27.1
200.04646	2.8
201.09016	2.9
202.06261	2.2
203.07001	5.3
207.06557	1.9
212.04633	2.1
213.05505	9.2
215.07005	8.1
217.08575	35.8
227.07005	25.9
229.08575	1.7
231.06418	1.5
245.08067	100.0
246.08424	3.5
255.06532	2.4
259.05960	1.7
273.07565	12.5
291.08594	60.6
292.08835	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	291.0858
Annotation	Altenusin
Peak:m/z	Relative Intensity
51.62150	1.5
55.01847	4.0
65.03932	14.3
67.05489	5.1
69.03408	4.0
79.05509	2.0
81.03384	4.9
83.04989	2.3
89.03887	5.6
91.05486	1.7
92.15899	1.6
93.03384	10.2
95.04944	5.6
97.02869	11.7
97.22743	1.7
103.05476	2.2
105.06995	2.4
109.02827	3.9
109.46333	1.8
110.03658	4.6
111.04383	3.8
115.05453	8.7
117.03390	11.8
119.08557	1.9
121.02816	3.6
123.04430	2.0
124.05195	5.9
125.05955	5.6
128.06187	16.5
129.06978	47.3
131.04886	4.8
132.44344	1.9
136.41232	1.7
137.05905	3.1
139.03842	4.7
139.05411	8.7
141.06963	14.5
141.24275	1.6
142.25023	1.8
144.05627	2.0
145.02815	25.3
145.06465	9.9
147.04388	7.2
149.05927	5.1
151.03870	16.2
151.46033	1.6
153.06934	2.1
155.04886	2.0
155.06029	3.6
155.08508	2.5
156.05653	3.8
157.06476	51.1
158.07278	1.8
160.05177	4.3
161.05943	5.8
163.07549	4.2
167.03477	3.6
167.04913	11.7
169.06464	13.7
171.08069	2.8
172.05110	1.9
173.05962	6.5
174.06732	6.8
175.07516	3.5
177.05434	31.6
184.05243	6.1
185.05911	18.3
186.06779	2.4
187.07597	8.4
188.08292	9.0
189.09085	32.4
191.73590	1.7
195.04407	4.8
197.05940	2.1
199.07509	27.7
200.04675	3.0
201.05441	2.5
201.09091	6.5
202.06250	3.2
203.06973	4.3
211.07526	1.9
212.04655	3.1
213.05429	8.4
214.06160	3.0
215.07001	10.9
217.08568	32.7
227.06975	25.9
229.08545	10.1
231.06485	3.3
241.04889	2.0
245.08058	100.0
249.14137	1.8
255.06319	3.9
273.07489	14.6
276.13382	1.9
291.08591	68.7
305.32153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	Altenusin
Peak:m/z	Relative Intensity
53.03926	1.7
55.01846	4.2
55.05497	5.7
57.03423	1.9
57.07057	2.6
59.04975	1.1
65.03923	14.3
67.05493	15.5
68.99794	2.1
69.03416	2.5
69.07043	6.2
69.93353	6.5
71.04964	1.1
79.05474	8.7
81.03398	2.8
81.07037	15.1
82.97834	0.9
83.04948	2.6
83.05415	1.1
83.08580	2.2
85.06516	2.2
91.05463	9.2
93.03390	15.7
93.07021	13.8
95.04951	6.1
95.08596	11.5
97.02865	11.9
97.06498	1.2
97.10143	2.4
98.21093	3.0
103.05427	3.4
105.07007	8.9
107.04910	1.9
107.08578	10.1
109.02825	2.5
109.06500	6.2
109.10135	7.1
110.03616	4.3
111.04409	3.9
115.05420	6.1
117.03362	2.2
117.06982	3.3
119.08554	6.4
121.02845	4.7
121.06460	1.3
121.10162	8.8
123.04401	2.1
123.08056	1.2
123.11672	4.5
124.05220	6.3
125.05995	6.2
127.05347	1.2
128.06198	17.2
129.06984	48.6
130.80093	1.2
131.04924	3.4
131.08554	4.9
133.10107	4.9
135.08041	7.0
135.11685	6.5
137.05907	5.1
137.09573	1.3
139.03848	4.8
139.05403	9.8
141.06955	16.5
143.04895	2.2
143.08527	2.4
144.05663	2.1
145.02815	3.3
145.06439	4.2
145.10048	2.8
147.04395	5.5
147.07950	1.8
147.11688	2.0
149.02295	4.5
149.05954	1.5
149.09586	1.3
149.13211	6.3
151.03880	14.9
151.07433	1.3
153.05368	1.2
155.04907	3.2
155.06068	1.6
156.05663	4.4
157.06465	60.2
157.10069	2.2
158.06950	1.9
159.08081	1.0
159.11647	1.2
160.05116	1.7
161.05951	4.8
161.09593	2.4
161.13303	1.4
163.07501	2.5
163.11165	1.2
163.14778	3.0
167.03459	2.7
167.04860	16.4
168.05673	1.6
169.06464	15.7
171.07980	2.2
172.05121	2.1
173.05957	4.2
174.06723	7.1
175.03822	1.3
175.07483	4.4
177.05460	7.3
179.07063	1.3
183.04404	2.1
184.05161	4.5
185.05943	18.0
186.06613	1.1
187.07462	10.4
187.66965	1.0
188.08295	13.5
189.05493	2.6
189.09074	46.2
195.04411	3.6
197.05971	2.3
199.07512	32.9
200.04587	4.3
201.09024	3.0
202.06175	1.8
203.06978	3.5
205.04915	1.2
207.06461	1.8
212.04639	3.3
213.05434	9.6
214.06175	2.9
215.07002	9.5
217.08551	38.3
223.03857	1.3
223.37556	1.0
227.06975	32.9
229.08598	2.0
231.06445	2.1
233.08092	1.4
245.08051	100.0
245.18994	1.7
246.08394	2.7
247.05951	1.9
247.09563	1.1
255.06555	2.3
259.05905	1.4
273.07535	11.5
273.18518	5.5
273.25696	1.4
291.08563	75.6
291.19461	8.6
291.26672	6.5
292.08826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Altenusin
Peak:m/z	Relative Intensity
55.01859	2.9
55.05482	2.6
65.03928	12.3
66.18810	1.0
67.05498	6.1
69.03390	3.5
69.07042	1.6
70.06569	1.4
71.62360	1.9
75.68973	1.2
79.05479	2.2
81.03382	1.7
83.04946	1.6
84.04473	1.8
91.05444	4.4
93.03387	12.4
93.07000	2.2
95.04931	5.2
97.02881	7.5
103.05440	3.2
105.06989	3.8
107.04932	2.4
107.08575	1.7
109.02843	4.3
109.30228	1.7
110.03621	4.0
111.04410	3.5
115.05445	8.9
116.06210	2.7
116.30614	1.2
117.03304	1.5
117.06978	3.7
117.46757	1.2
118.06515	1.5
119.08541	1.3
121.02834	4.9
121.10104	1.7
123.04404	4.2
124.05177	6.1
125.05959	4.4
127.03889	2.7
128.06203	14.7
129.06990	41.8
130.06505	15.6
131.04883	2.8
131.08553	3.5
132.08040	4.8
133.06445	3.2
137.05920	3.4
139.03883	6.3
139.05377	5.7
141.06972	14.7
142.06499	2.6
143.04893	2.9
143.08464	2.5
144.05649	3.6
145.02821	8.6
145.06459	5.8
145.10146	1.4
146.06001	2.8
147.04390	7.0
147.08049	1.5
149.02321	3.2
151.03883	12.6
151.04962	2.2
151.07472	1.5
153.05356	1.1
153.05786	1.0
153.06967	9.0
155.04854	2.4
155.06012	1.9
155.08519	5.4
157.06471	46.4
159.08025	1.7
159.09164	11.8
160.05183	5.7
160.07538	2.3
161.05951	13.0
161.09595	1.7
162.06732	6.7
163.07475	1.9
167.03397	3.8
167.04878	13.1
168.05574	2.3
169.06451	15.3
170.05971	4.8
171.04341	2.6
171.07993	3.5
172.05179	1.5
173.05983	14.0
173.09657	1.1
174.06746	5.9
175.03859	2.3
175.07463	7.5
177.05435	5.9
181.06418	6.4
183.04353	2.4
183.07983	3.9
184.05180	4.3
184.07524	3.0
185.05829	18.5
185.07137	3.6
186.06648	4.1
187.03918	6.5
187.07507	23.9
188.06981	4.8
188.08485	7.2
189.05531	9.3
189.07303	2.1
189.09074	37.0
191.06915	1.9
195.04393	3.4
197.05968	2.8
199.03809	3.3
199.07501	41.9
200.04665	4.8
200.07999	1.4
201.05423	6.7
201.08990	21.0
201.10558	1.5
202.06215	1.5
203.03383	14.0
203.06996	4.9
203.10599	5.1
205.04895	1.4
209.05975	2.0
211.07437	2.3
212.04643	3.2
213.05408	10.7
213.09065	1.6
214.06134	2.7
215.06979	7.7
216.04085	1.6
217.04944	4.1
217.08559	34.6
221.04288	5.6
227.06879	32.4
227.10625	2.8
228.07396	1.3
229.04886	1.9
229.08510	8.8
231.02866	22.2
231.06480	4.8
244.12099	1.5
245.08000	100.0
246.08401	3.0
247.09616	1.5
255.06429	5.9
273.04214	1.9
273.07544	21.5
273.12064	6.4
291.05029	8.1
291.08539	67.7
291.13385	2.6
291.19614	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	Altenusin
Peak:m/z	Relative Intensity
51.14903	0.9
55.01856	2.1
55.05490	4.6
57.03411	1.1
65.03936	10.4
67.05491	9.8
69.03410	3.5
69.07046	3.1
69.88011	1.8
69.88416	4.7
79.05489	5.8
81.03397	2.6
81.07053	10.5
83.04960	3.5
83.08596	4.0
85.06519	2.0
86.34598	1.0
91.05474	6.0
93.03389	10.3
93.07034	7.0
95.01318	1.8
95.04952	7.0
95.08591	8.7
97.02874	10.6
97.06517	1.2
97.10139	1.7
98.21456	1.3
103.05451	2.8
104.12193	1.0
105.07032	5.4
107.04945	1.3
107.08583	7.2
109.02850	2.6
109.06494	1.8
109.10142	3.6
110.03650	3.6
111.04421	3.7
111.11757	1.3
115.05437	5.0
117.03329	1.3
117.06990	2.5
118.96974	1.3
119.04893	2.6
119.08568	4.1
121.02859	6.2
121.06512	1.9
121.10117	4.8
123.04376	3.5
123.08056	1.9
124.05199	6.6
125.05981	6.2
127.03873	2.4
127.40173	1.0
128.06192	11.7
129.06987	38.3
131.04903	3.2
131.08525	3.0
133.06430	1.8
133.10117	1.6
135.08035	1.3
135.11664	3.6
137.05966	4.8
137.87775	1.3
139.03928	5.5
139.05418	7.5
141.06963	11.2
143.04900	2.9
143.08554	1.5
144.05664	1.4
145.02847	3.0
145.06425	4.3
145.10109	2.6
147.04382	10.8
147.08034	1.7
147.11644	2.0
149.02289	1.6
149.09572	2.6
149.13245	3.4
151.03885	13.9
155.04883	2.0
155.06032	1.7
156.05693	2.7
157.06471	46.4
157.10120	2.1
158.07120	1.3
161.05957	6.9
161.09610	1.3
163.07500	1.9
163.11179	2.9
163.14758	1.9
167.03340	4.4
167.04898	11.8
168.05635	1.1
169.06467	11.1
171.04419	1.3
171.11726	1.2
172.05226	1.8
173.05942	2.7
174.06721	6.1
175.07535	3.9
177.05420	7.3
183.04344	1.7
184.05161	4.1
185.05960	20.2
186.06645	1.4
187.07480	7.4
187.92380	1.0
188.08266	7.7
189.05505	2.5
189.09070	31.2
195.04376	2.8
197.05948	2.4
199.03807	1.9
199.07515	24.0
200.04742	1.9
201.09119	2.5
202.06232	2.8
203.06978	6.8
207.06436	2.6
212.04657	3.4
213.05428	8.8
214.06174	2.9
215.06981	6.1
217.08582	33.2
217.10596	2.2
219.06659	1.1
227.06999	24.5
229.08487	1.3
231.06377	2.4
233.15329	1.7
245.08063	100.0
246.08450	1.9
255.06561	2.1
259.05988	1.7
273.07516	9.9
273.18420	4.4
291.08582	72.6
291.15845	2.8
291.19229	6.8
291.22385	1.0
291.26733	2.8
292.08911	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.19515	1.2
53.03930	2.8
54.02988	1.3
55.01855	6.7
55.05501	15.2
55.14566	1.3
55.37672	1.2
57.03411	4.6
57.07055	4.3
59.26882	1.1
62.10333	1.2
65.03923	2.0
67.05497	32.4
69.03425	4.1
69.06690	2.0
69.07058	36.2
69.51852	12.2
79.05483	34.9
81.07046	64.0
83.04974	2.2
83.08607	7.9
85.02884	2.1
85.06532	18.7
91.05463	21.0
93.07030	37.5
95.04957	5.4
95.08591	59.4
97.06518	100.0
97.10149	5.8
98.06869	2.9
98.21429	1.9
99.08077	11.4
105.07024	33.4
107.04945	2.1
107.08584	36.6
109.06467	3.3
109.10142	33.5
111.08081	5.2
111.11703	2.5
111.84938	1.3
113.09624	4.8
117.06997	3.2
119.04892	1.7
119.08566	31.5
119.09411	2.2
121.06492	2.4
121.10137	25.3
123.04424	19.1
123.11690	15.1
123.93313	1.5
125.09615	5.6
127.03896	24.9
131.04926	2.4
131.08537	9.6
133.10110	24.5
135.04451	2.5
135.11688	22.0
137.13228	5.0
139.11171	3.3
145.10115	16.0
147.04395	14.5
147.11685	26.3
149.05969	1.7
149.13225	15.6
153.05435	10.2
159.11661	15.4
161.06001	2.0
161.13228	26.2
163.03868	7.3
163.14833	10.4
165.05424	14.4
165.12788	1.7
173.13260	11.9
175.03864	8.1
175.14809	14.7
177.05338	1.5
177.16373	3.5
179.14218	2.0
187.14806	7.1
189.05469	5.2
189.16359	13.5
191.03410	5.9
191.17918	2.9
192.04059	2.3
193.04935	16.3
193.15851	2.3
201.08934	1.9
201.16399	6.2
203.03357	45.2
203.17912	3.7
204.03677	1.6
207.17349	2.9
215.07008	1.4
215.17946	8.2
216.04211	2.1
217.08612	5.0
217.19441	2.5
219.10141	4.0
229.19537	3.3
231.21065	2.1
233.15038	1.4
233.19063	2.6
245.08052	41.4
246.08453	3.0
261.11139	10.9
271.24170	18.2
289.05804	3.1
289.10675	89.2
289.25220	88.8
290.11047	5.7
290.25446	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	290.1748
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.60562	0.4
55.05490	1.1
56.05036	0.8
57.07064	1.3
58.06596	0.8
58.90203	0.4
65.03920	1.8
67.05495	7.1
69.07055	4.2
69.83330	0.8
69.83744	1.5
74.06065	1.3
76.62217	0.4
79.05496	2.7
81.07052	1.8
82.06582	2.6
83.04959	0.6
83.08613	0.7
88.07616	5.1
91.05463	0.9
93.03381	1.5
93.07041	3.2
95.04978	0.6
95.08595	1.2
97.06519	2.4
105.07010	0.8
107.04965	0.4
107.08574	1.9
109.06490	0.6
109.10143	1.0
110.06030	25.7
111.04432	11.5
111.08076	0.6
117.07005	0.7
118.08630	0.6
119.08574	0.8
122.08100	1.1
123.04391	2.1
131.08510	0.5
133.10158	0.8
135.08047	1.0
135.11674	3.0
138.05482	100.0
139.03893	0.5
139.05806	1.4
145.06496	0.9
155.08595	0.4
157.06435	0.6
163.07510	2.4
168.13797	0.6
175.07530	0.5
226.11140	0.8
228.23375	0.5
242.24791	5.2
273.18695	0.6
290.17465	5.3
290.26834	13.7
290.29507	0.6
291.08563	0.8
291.19412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
57.07066	8.6
58.06595	1.9
70.06580	18.0
70.75024	0.4
71.08631	1.5
71.08952	0.4
72.08141	0.6
75.57613	0.3
84.08125	0.6
85.10161	1.8
86.09669	0.5
88.07616	25.7
102.09160	15.3
132.10129	0.9
146.11722	1.3
150.11240	0.5
184.20607	1.0
228.23193	44.0
229.23529	1.6
272.25882	2.9
290.26843	100.0
291.27109	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	84.4
61.02917	1.4
69.03377	1.1
71.58305	1.6
71.95246	2.7
74.97594	1.5
77.00867	1.2
81.03408	1.5
84.04489	1.5
84.08119	3.7
84.96032	7.9
91.02431	1.6
97.02845	2.0
98.97565	40.2
101.00856	19.8
101.01454	1.7
102.97020	1.1
103.02435	2.0
110.97621	1.2
111.04433	1.2
112.99097	2.6
113.00825	3.5
115.02409	10.7
116.98610	28.4
118.01100	2.3
119.01900	58.0
119.12523	1.0
119.16098	1.0
120.01978	1.4
124.99095	17.4
124.99936	1.8
127.00649	3.6
128.98621	1.9
129.03992	1.0
131.00139	4.0
131.01880	11.4
133.03452	55.9
134.03561	1.1
134.99655	12.9
137.02966	15.3
139.00627	1.5
141.00356	1.3
141.02216	1.7
142.01080	4.0
142.03445	1.7
143.00136	49.5
143.01814	10.1
145.01697	2.4
145.03438	11.5
145.10378	1.2
146.99722	1.2
147.05019	3.2
149.01195	2.6
149.02954	1.9
151.00699	1.3
151.04494	15.6
152.98605	4.5
153.00723	2.2
155.01868	5.0
156.05029	2.0
157.01691	2.1
157.03455	6.4
158.99644	2.3
159.01376	3.5
159.03232	4.8
160.02156	5.4
161.01205	49.0
161.02922	24.4
162.99161	1.7
163.04503	1.6
163.67572	1.0
166.55350	1.1
167.00150	3.4
169.01727	6.3
169.02985	1.0
170.98277	2.2
170.99643	20.6
173.01266	3.3
173.02953	17.5
174.99046	1.3
175.03183	1.6
175.04451	8.3
177.00710	3.6
177.02431	5.2
177.04260	1.5
179.02277	5.4
179.03838	1.3
185.01218	18.9
185.02914	3.2
186.99120	4.0
187.02766	6.9
187.04364	2.2
189.00684	39.1
189.02238	2.2
189.05954	1.1
191.02292	1.7
191.03963	16.4
194.99733	2.0
197.02972	3.3
201.00648	2.4
201.02388	33.2
203.00508	1.8
203.02235	13.8
203.04028	6.0
205.00189	5.9
207.01813	5.2
209.05000	6.1
213.00685	14.5
215.03940	1.5
217.02046	1.4
219.01884	3.6
219.03479	100.0
220.03665	3.3
221.03252	1.9
221.05049	14.2
223.01253	4.9
227.98247	1.5
231.01649	23.5
231.03505	2.8
235.02975	3.2
237.04623	5.5
242.05048	5.8
245.02852	1.8
245.05083	29.4
246.05347	1.3
247.01375	2.1
248.99025	1.6
248.99777	1.4
249.02551	25.5
249.04620	5.0
261.04572	3.8
263.06253	15.7
267.00107	3.0
267.03668	18.6
269.38190	1.1
273.02579	7.6
285.04855	9.9
291.03903	22.1
309.04758	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	289.2158
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03935	1.1
55.01851	1.2
55.05503	14.8
57.03431	0.9
57.07047	1.6
59.04977	1.7
65.03905	1.7
67.05143	1.1
67.05494	18.2
69.03397	1.1
69.07061	12.5
71.04975	1.3
71.63544	0.6
71.63985	0.7
73.06535	2.3
79.05480	17.5
79.11849	0.7
81.07043	22.5
82.19398	0.5
83.04958	1.1
83.08609	6.8
85.06541	4.0
87.08074	0.7
88.29165	0.6
91.05465	46.6
91.95284	0.6
93.07027	15.4
95.04936	1.8
95.08595	15.4
97.06513	2.3
97.10143	2.0
99.08031	0.9
103.05434	1.7
105.07017	63.2
106.07312	0.7
107.05012	0.7
107.08575	12.5
109.06499	2.0
109.10129	5.8
111.08041	1.1
115.05406	1.5
115.07545	0.9
117.07008	15.7
119.08562	50.6
120.08903	0.9
120.77049	0.7
121.10136	5.3
123.08030	1.5
123.11667	1.4
125.09618	0.7
127.03852	1.0
128.06149	1.4
129.06982	3.8
130.07741	0.7
131.08554	20.3
132.09311	0.8
133.06432	1.1
133.10107	39.3
135.08012	1.9
135.11693	3.1
137.09583	1.3
141.06956	2.8
142.07719	0.8
143.08562	4.2
144.09271	1.2
145.06441	1.5
145.10101	16.8
146.10832	0.9
147.07988	2.0
147.11664	25.0
149.09627	1.7
149.13225	1.2
151.11172	0.8
153.06981	1.0
155.08475	3.7
157.06566	0.8
157.10101	7.2
159.08009	1.5
159.11670	16.7
160.12244	0.6
161.09608	1.3
161.13226	12.7
163.11154	1.4
163.14729	0.7
168.09259	1.0
169.10086	3.5
171.11646	5.5
173.09618	1.6
173.13237	11.9
175.07457	0.6
175.11131	1.5
175.14789	2.7
183.11674	6.8
185.13223	1.4
187.11165	1.9
187.14699	1.5
189.12761	0.8
193.10237	0.6
197.13214	4.4
199.14745	0.8
201.12811	3.0
203.10736	0.7
207.13808	1.0
211.14778	1.5
213.16397	1.3
215.14310	1.3
215.17928	3.0
229.12227	2.8
229.15916	1.6
229.19478	1.5
233.15219	0.9
239.17880	7.1
257.18964	12.9
271.17001	0.9
289.21570	100.0
290.21960	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	289.2521
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03926	3.3
55.01855	3.0
55.05507	12.6
57.03412	2.1
57.07045	5.9
57.07289	1.3
65.03951	1.8
67.05496	32.8
68.10651	1.2
68.11018	1.3
69.03400	2.5
69.06695	1.7
69.07059	32.8
69.41200	12.3
71.04972	1.9
79.05486	28.4
81.07043	66.7
82.07364	1.6
83.08610	8.3
85.02872	1.5
85.06044	1.4
85.06532	18.8
91.05473	14.2
93.07030	36.6
93.92807	1.6
95.04945	3.1
95.08590	61.2
95.09200	3.1
97.06518	72.9
97.10136	6.2
98.06820	1.5
98.20743	2.9
99.08073	10.7
105.06345	2.2
105.07018	33.3
107.08576	37.1
109.06452	1.9
109.10140	35.8
111.08073	3.3
111.11744	1.3
113.09621	4.3
117.06991	4.0
119.08574	29.6
121.10120	26.8
123.04411	8.8
123.08076	2.2
123.11677	13.3
125.09599	6.0
127.03890	22.5
131.04868	3.2
131.08528	10.5
133.09193	1.9
133.10118	24.8
133.63477	1.5
135.11665	23.5
137.13240	3.7
137.60284	1.4
139.11143	4.0
141.18219	1.4
145.10085	15.8
147.04341	5.0
147.11659	27.2
147.12730	2.2
149.13242	16.4
151.11171	2.1
159.11679	16.3
161.13243	23.4
162.13628	2.6
163.03891	4.9
163.14818	11.1
165.05467	8.6
173.13252	9.7
175.03893	4.5
175.14795	17.8
177.16368	5.1
179.14287	2.3
181.15779	1.5
187.14836	6.7
188.30316	1.3
189.05289	2.4
189.16353	12.9
191.03317	2.3
191.17928	2.9
193.04936	12.6
193.15875	2.4
199.61401	1.3
201.09027	4.2
201.16353	8.3
203.03369	32.6
203.17802	2.8
204.03624	1.9
205.15741	1.9
207.17456	1.8
210.27084	1.6
215.17906	9.3
216.04044	2.4
217.08583	2.6
217.19417	2.0
219.17358	2.2
229.19490	3.3
231.21057	2.4
233.19011	4.6
245.08075	29.1
246.08598	2.0
253.88672	1.5
261.11139	6.2
271.24158	17.0
289.06024	4.7
289.10663	59.6
289.25201	100.0
290.10947	6.2
290.25467	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
51.98635	2.5
53.03926	2.6
55.05510	19.0
57.03408	3.2
57.07050	7.0
67.05498	23.1
69.03419	3.7
69.07055	53.8
69.29369	34.1
71.04974	4.2
71.08630	2.7
79.05494	15.9
79.31553	2.6
81.07048	34.3
81.30649	3.1
83.04977	19.4
83.08599	8.2
85.06538	3.5
91.05448	33.3
93.07039	30.9
93.49984	2.4
95.04945	9.7
95.08585	41.5
97.06507	13.1
101.06014	7.0
105.07018	42.5
107.08571	21.3
107.13350	2.6
109.06478	6.5
109.10145	21.6
111.25320	2.8
115.07543	4.9
117.06996	11.1
119.07756	3.7
119.08568	61.4
121.06470	2.7
121.10146	21.0
121.28757	2.8
123.08051	6.4
123.11700	30.2
127.03880	4.4
128.06163	3.1
129.06947	6.2
131.08563	26.8
133.10121	33.6
135.08031	2.8
135.11667	11.3
137.09570	5.5
137.13181	3.4
142.07756	5.4
143.08493	14.6
144.09259	3.0
145.10098	42.8
147.08035	6.6
147.11661	23.3
149.09598	4.0
152.20381	2.6
155.08487	6.3
156.09259	2.9
157.10098	20.2
158.10822	4.2
159.07979	4.9
159.11678	36.3
161.09550	4.6
161.13246	31.6
165.09035	4.9
168.09294	5.9
169.10069	4.5
171.11661	15.0
173.09625	5.0
173.13220	23.3
174.14032	2.8
174.43265	2.6
175.11127	4.4
175.14799	48.5
176.15318	4.4
177.16333	3.4
183.11650	11.9
185.13158	5.6
187.11212	5.3
187.14789	11.9
189.12813	5.5
189.16420	5.3
197.13286	7.3
199.14784	3.0
201.12660	9.4
201.16385	16.3
213.16321	7.3
215.14386	4.3
215.17911	17.7
227.17860	7.4
229.12225	6.7
243.21007	23.1
245.19026	3.8
253.19589	4.7
271.20532	27.7
289.18219	7.6
289.21579	100.0
290.21890	4.5
290.24716	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	289.2157
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03919	1.8
55.01870	1.2
55.05250	1.2
55.05503	16.7
59.04992	1.4
65.03934	1.5
67.05500	20.4
69.03406	1.7
69.07060	13.1
69.78169	6.1
73.06522	1.2
79.05481	17.9
81.07045	23.0
83.04950	1.6
83.08617	6.7
85.06521	4.1
91.05471	52.3
93.07035	17.6
95.04940	3.0
95.08014	1.5
95.08592	16.7
97.06515	2.8
97.10176	1.9
101.05986	1.6
103.05460	2.1
103.87682	1.0
105.07016	66.4
106.07305	1.9
107.08582	13.9
109.06503	1.9
109.10140	7.3
111.08044	1.3
115.05424	1.8
117.07011	14.6
119.08567	49.0
120.08858	1.1
121.10146	6.6
123.08050	2.1
123.11656	1.5
125.09543	1.2
127.03905	1.8
128.06198	1.5
128.87210	0.9
129.07002	2.5
131.08540	20.1
133.10114	49.8
135.08037	2.6
135.11658	4.0
137.09665	1.0
137.62016	1.0
141.06958	1.2
142.07782	1.1
143.08551	4.3
145.10115	17.8
147.11673	24.8
149.09520	1.4
149.13190	1.9
151.11043	1.2
155.08508	2.7
157.10080	4.6
159.08049	1.3
159.11678	14.5
161.13263	10.1
168.09322	1.5
169.10057	3.2
171.11655	3.7
173.09605	1.5
173.13240	14.9
175.11192	1.1
175.14786	2.7
183.11635	6.9
185.13188	1.2
187.11154	2.6
187.14767	2.1
197.13252	2.6
201.12753	3.4
211.14729	1.4
213.16286	1.1
215.14243	2.3
215.17894	3.3
229.12228	2.0
229.15753	1.4
229.19426	3.4
239.17928	6.5
247.16975	1.2
257.18979	13.9
289.21588	100.0
289.24768	3.5
290.21875	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	289.2157
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.63803	0.9
53.03932	2.5
53.23685	1.0
55.01847	1.8
55.05501	21.0
59.04979	2.9
65.03927	1.5
67.05492	15.7
69.03431	1.1
69.07054	10.6
70.25567	3.6
71.04957	1.2
79.05478	15.8
79.62315	0.9
81.07045	20.8
83.04950	2.6
83.08599	9.1
85.06512	2.6
91.05463	47.1
93.07024	14.6
95.04927	1.7
95.08586	10.7
97.06507	2.5
97.10146	10.2
103.05417	1.7
105.07010	100.0
106.07343	1.9
107.04921	1.3
107.08566	10.5
109.06514	1.3
109.10133	4.3
115.05520	1.0
117.06999	10.8
119.07757	2.0
119.08562	35.5
121.06462	0.9
121.10133	3.9
123.07994	1.4
125.09612	5.2
127.03880	1.3
128.06274	0.9
129.06952	2.0
131.08530	19.4
131.56665	1.1
133.10106	49.7
134.10416	1.0
135.11671	3.2
141.06969	2.2
142.07841	1.0
143.08548	6.5
145.10094	49.4
146.10469	0.9
147.11661	55.3
149.09602	1.2
155.08463	2.6
157.10092	4.0
159.07938	1.2
159.11620	10.3
161.09515	1.4
161.13177	4.2
163.11150	1.1
168.09444	1.0
169.10063	2.3
171.11678	10.2
173.09660	1.3
173.13277	4.5
174.19931	0.9
175.11160	2.1
183.11647	7.7
185.13191	1.5
187.14798	1.5
197.13214	4.6
199.14801	1.2
211.14740	1.9
215.17851	1.3
229.12285	2.2
229.15884	1.2
239.17903	11.5
257.18954	38.8
258.19284	1.5
289.18427	2.7
289.21555	70.9
290.21848	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	289.2157
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03933	2.2
55.01849	2.4
55.05506	25.2
55.62465	1.0
57.03428	1.7
57.07054	1.2
59.04983	1.8
67.05148	1.5
67.05494	19.6
69.03408	2.6
69.06752	1.3
69.07059	13.9
69.38277	4.0
69.38706	7.0
73.06528	2.4
74.19186	1.1
79.05041	1.4
79.05483	22.8
81.03377	1.3
81.07047	27.3
83.04958	2.8
83.08622	8.3
85.06507	4.7
91.05470	49.7
92.13495	1.2
93.07028	21.8
95.04943	4.8
95.08598	18.4
97.06486	3.1
97.10143	7.7
103.05460	1.7
105.07018	77.0
106.07374	1.9
107.05000	1.7
107.08579	19.7
109.06500	5.1
109.10137	7.9
111.08025	2.1
115.05466	1.7
117.07020	10.8
118.07756	1.9
119.08566	45.8
121.06506	8.4
121.10120	8.5
122.07247	1.6
123.08039	3.5
125.09597	3.8
127.03882	2.8
129.06970	4.7
131.08539	21.5
132.09302	1.3
133.10110	43.4
135.08028	5.0
135.11674	5.1
141.06953	1.7
143.08536	6.2
145.10101	29.3
147.07983	3.2
147.11662	35.8
149.09555	1.7
149.13232	3.6
151.11124	1.7
153.06979	1.3
155.08513	4.9
157.10080	7.1
159.07979	3.3
159.11671	16.6
161.09575	2.2
161.13272	11.5
163.11128	4.9
168.09311	2.9
169.10040	3.7
171.11652	5.4
173.09599	2.4
173.13239	12.7
175.11105	1.8
175.14781	4.2
177.12709	6.4
183.11664	8.6
185.13219	3.1
187.11113	1.9
187.14758	1.8
189.12666	1.9
191.14270	2.0
197.13234	3.9
201.12721	3.3
207.13853	1.5
215.14302	2.0
215.17899	2.2
218.54175	1.1
219.13736	1.2
229.12244	3.3
229.15814	1.9
239.17938	9.4
249.30090	1.2
257.19000	23.1
261.22086	6.0
271.20517	2.5
289.03470	1.3
289.06714	1.7
289.18143	8.1
289.21561	100.0
290.21826	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2157
Annotation	Prasterona
Peak:m/z	Relative Intensity
55.05496	35.4
57.07069	5.4
59.04990	75.3
67.05493	15.7
69.07069	11.8
71.60584	5.9
79.05470	13.7
79.96854	4.5
81.07037	17.9
83.04926	4.8
85.06036	7.0
85.06531	100.0
85.16504	5.5
91.05464	31.2
93.07036	40.2
95.04948	7.3
95.08592	32.4
95.32823	4.6
99.08088	18.6
105.07001	26.4
105.07643	5.4
107.08569	20.4
109.06502	7.1
109.10144	12.2
111.08071	8.8
117.06981	9.6
119.08546	32.2
121.10117	5.0
125.09604	28.2
125.10420	4.7
128.06212	6.1
130.61345	4.9
131.08549	29.0
133.10077	22.5
134.75360	5.0
135.07974	6.1
141.06940	5.0
141.15756	4.9
142.07771	13.0
143.08562	12.4
145.06415	5.8
145.10066	19.1
147.11639	12.0
153.07048	6.4
155.08571	15.1
156.09306	6.1
157.10124	35.1
158.10860	10.6
159.08002	6.3
159.11653	20.2
165.12718	5.3
168.09309	12.9
169.10100	14.2
171.11668	15.0
173.13264	44.5
175.10983	4.3
177.12735	6.4
182.10817	5.7
183.11681	54.2
183.76314	4.2
189.12741	9.0
195.11624	5.0
197.13220	18.1
199.14804	11.7
201.12796	16.1
211.14786	6.2
213.16354	6.4
215.14438	7.3
224.15326	5.0
228.73145	5.4
229.12274	6.6
233.15427	5.1
239.17905	25.2
257.18887	15.7
259.16870	6.6
271.17099	6.0
271.20547	14.6
287.23242	4.6
289.18637	5.9
289.21646	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
51.02365	1.1
53.03934	4.0
55.01869	11.1
55.05507	20.4
57.03431	29.7
59.04992	2.2
62.82800	1.2
65.03927	3.1
67.05494	33.8
69.03413	4.7
69.07066	12.1
71.04975	2.8
71.58495	2.2
73.06559	1.2
79.05485	29.6
81.03384	3.9
81.07045	33.2
83.04473	1.2
83.04972	44.0
83.08610	6.8
85.06525	4.5
91.05470	45.6
93.07037	29.9
95.04971	9.9
95.08594	23.1
97.06526	5.5
97.10147	2.5
99.04454	9.8
102.97683	1.2
103.05425	2.3
105.04520	2.0
105.07019	38.5
107.04948	24.9
107.08582	17.5
109.06503	19.8
109.10130	7.9
111.04413	13.2
111.08057	4.6
112.28985	1.1
113.06005	1.8
115.05441	2.6
116.06221	1.4
117.06992	17.3
119.04927	2.0
119.08562	27.2
121.06496	7.6
121.10126	7.9
123.04419	3.8
123.08048	4.8
123.11663	2.2
125.05991	9.4
125.09638	2.3
127.03898	4.6
128.06157	6.1
129.06989	10.0
130.07768	1.3
131.04878	2.8
131.08549	23.1
132.05745	1.6
133.06496	13.5
133.10117	18.3
135.04294	1.4
135.08026	14.7
135.11665	6.4
137.05969	5.7
137.09583	3.3
139.07579	1.4
141.06952	6.2
142.07747	2.8
143.08530	10.2
144.09303	1.4
145.06444	7.5
145.10107	16.8
146.07205	2.3
147.08031	12.6
147.11688	9.5
149.05966	5.1
149.09595	5.0
149.13248	3.5
151.07550	4.5
151.11198	1.6
153.09105	2.5
155.08537	8.5
157.06493	1.5
157.10132	7.3
157.12059	1.1
159.08051	15.9
159.11662	12.2
160.08794	2.7
161.09625	14.5
161.13234	4.5
163.07527	4.2
163.11168	7.4
165.09145	2.0
168.09355	1.5
169.10106	5.1
171.08052	1.3
171.11688	8.0
173.09610	9.7
173.13249	7.2
175.07600	1.5
175.11234	5.2
175.14783	2.7
177.09087	4.1
177.12686	10.9
178.13528	2.1
179.06966	1.6
179.08629	1.2
179.10590	1.1
179.14255	1.4
181.10089	2.0
182.49008	1.1
183.11702	8.0
185.09657	2.7
185.13269	2.0
187.07526	1.2
187.11180	5.1
187.14825	4.8
189.12766	2.1
197.09557	1.2
197.13229	4.3
199.11229	2.5
201.09138	1.7
201.12697	2.9
201.16321	1.2
205.12238	1.3
205.15848	6.9
211.11270	1.4
211.14807	1.9
215.14325	7.8
215.17857	3.1
217.12277	2.7
225.12657	1.4
225.16397	3.7
229.12292	4.2
233.15337	23.7
243.17384	8.8
253.15843	4.4
257.18939	1.6
261.18475	22.0
271.16919	18.3
289.03375	1.5
289.06815	2.4
289.17969	100.0
289.21481	11.1
289.25119	4.9
290.01846	1.3
290.18256	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03933	4.5
55.01861	12.0
55.05249	1.9
55.05503	29.4
56.15154	1.0
57.03429	33.0
57.07051	1.7
59.04959	1.7
65.03921	4.4
67.05495	41.2
69.03404	4.8
69.07056	15.5
69.84326	7.4
71.04964	1.7
79.05037	2.3
79.05484	40.2
81.03397	4.3
81.07047	35.9
83.04970	53.7
83.08613	7.9
85.02928	2.1
85.06526	4.1
91.05470	58.1
93.06447	1.8
93.07031	34.8
95.04950	12.2
95.08018	2.1
95.08585	26.5
97.06516	7.1
97.10146	2.7
99.04444	14.1
99.08077	1.3
99.45877	1.2
103.05463	3.7
105.03345	1.8
105.04520	1.9
105.07012	55.2
107.04263	2.2
107.04940	27.4
107.08572	20.2
109.06507	21.8
109.10145	7.7
111.04431	17.0
111.08038	3.7
111.85999	1.1
113.05947	2.5
115.05428	4.1
117.07011	22.4
119.08565	37.8
121.06491	9.3
121.10116	13.8
123.04422	3.4
123.08078	6.0
123.11694	1.5
125.05981	12.0
125.09610	3.2
127.03902	4.5
128.06201	5.0
129.07001	10.0
130.07730	1.4
131.04936	1.5
131.08548	30.5
132.05708	1.8
133.06493	11.2
133.10109	25.5
135.08037	14.7
135.11676	7.1
137.05942	5.7
137.09578	3.8
141.06993	7.1
142.07782	2.1
143.08549	7.0
145.06422	9.9
145.10097	23.0
147.08031	15.9
147.11656	13.3
149.05923	6.2
149.09607	5.8
149.13219	2.8
151.07549	6.1
153.07082	1.2
153.09056	1.6
155.08528	7.8
157.10106	8.1
159.08040	19.5
159.11681	9.6
161.05933	1.9
161.09593	15.8
161.13318	6.0
163.07503	4.3
163.11156	6.1
165.09125	2.6
167.08475	1.6
168.09341	1.7
169.10074	4.3
171.11591	6.9
173.09564	9.7
173.13275	7.5
175.11157	5.4
177.09117	3.9
177.12712	15.1
178.13411	1.8
179.10719	1.4
179.14281	1.6
183.11658	9.1
185.13196	2.7
187.11154	4.6
187.14787	4.8
189.09143	1.6
189.12683	3.6
191.10710	1.5
197.13220	5.3
199.11075	1.8
199.14781	1.6
201.09137	1.9
201.12730	2.6
205.15865	7.8
211.11166	2.0
215.14314	8.8
215.17926	2.5
217.12212	3.4
225.16322	3.0
229.12180	2.5
229.19437	1.4
233.15318	23.3
233.19022	2.1
243.17442	7.3
253.15863	4.4
257.18988	3.3
261.18484	21.0
271.16888	18.6
289.06165	2.1
289.17938	100.0
289.21515	29.1
289.24902	2.9
289.29306	4.7
290.18195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1792
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03927	1.1
54.27829	0.5
55.01858	2.1
55.05290	0.6
55.05506	7.6
56.05022	1.1
57.03430	2.6
57.07055	1.5
58.06577	1.3
59.05002	0.7
59.06119	0.8
65.03928	0.6
67.05197	0.7
67.05498	6.9
69.03413	0.6
69.07064	4.8
69.31653	5.8
70.08492	0.5
71.04966	0.6
79.05485	8.2
81.03412	1.0
81.07040	6.4
83.04958	1.5
83.08595	3.5
84.04477	0.8
85.06532	1.2
88.07608	1.8
89.07126	1.9
91.05469	16.4
93.07027	5.7
95.04944	2.1
95.08593	5.1
97.06520	5.1
97.10136	1.2
99.08113	0.6
103.05412	1.5
103.08681	1.2
104.06275	0.6
105.06351	1.0
105.07020	13.5
107.04935	2.0
107.08570	6.7
109.06525	1.6
109.10143	1.9
109.56925	0.5
115.05464	1.4
117.06995	7.0
119.04900	1.1
119.08566	23.1
121.06503	1.9
121.09640	3.9
123.04410	1.7
123.08041	1.1
125.09595	0.6
125.71642	0.5
127.03897	4.9
128.06169	1.2
129.07001	2.4
131.04913	2.5
131.08549	5.5
132.05702	1.3
133.06453	3.4
133.10103	5.9
135.04378	0.6
135.08015	4.5
135.11729	0.9
137.02306	0.8
137.05981	0.9
137.09569	0.9
141.06987	1.7
142.07741	1.3
143.08546	2.4
144.05696	1.0
145.06487	3.9
145.10091	4.5
146.07281	0.6
147.04369	0.9
147.08000	4.7
147.11665	3.9
149.05984	0.9
149.09618	1.2
149.13312	0.9
153.05502	0.8
153.06970	0.8
153.09073	1.7
155.08534	1.9
157.10144	1.8
159.08046	11.0
159.11638	2.8
160.08824	4.8
161.09590	5.5
161.13293	1.3
163.07526	4.4
163.11165	0.9
165.05501	0.8
169.10074	1.7
171.11673	1.4
173.06024	1.0
173.09697	2.5
173.13275	2.4
175.11188	1.1
177.09108	1.0
179.10735	0.7
183.11716	3.4
185.09598	0.9
187.11182	1.5
191.03464	0.6
193.04988	1.6
197.13216	0.6
201.09099	0.8
201.12730	1.2
203.03337	1.5
203.17966	0.7
208.42683	0.6
211.11111	0.9
215.17918	0.7
229.12221	2.3
233.15317	1.5
239.17926	0.9
242.24825	1.3
243.17412	1.2
245.08113	1.6
245.25897	1.0
247.16769	0.6
253.15784	1.6
257.18896	1.3
261.14786	1.5
271.09778	0.7
271.16913	5.9
271.24246	0.6
289.06665	2.7
289.11182	3.8
289.17960	100.0
289.21478	8.1
289.25079	2.1
289.28836	14.3
290.18387	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.61217	1.9
53.03938	3.8
55.01863	11.3
55.05252	3.0
55.05505	52.0
57.03427	13.7
57.07060	2.9
59.04991	4.6
67.05500	32.4
69.03421	5.8
69.07063	13.5
69.89734	9.4
70.06570	2.4
71.04984	2.8
76.18278	2.0
79.05484	40.5
81.03421	2.0
81.07053	36.1
83.04958	6.6
83.08613	18.6
85.06548	5.0
88.07635	3.3
91.05475	28.9
93.07039	19.0
95.04926	4.9
95.08594	14.5
96.36070	1.9
97.06512	7.0
97.10158	23.8
105.07014	21.4
106.08648	5.0
107.04919	4.2
107.08570	22.0
109.06509	5.6
109.10158	12.1
115.05444	20.3
117.07011	91.1
119.08562	25.7
121.06451	3.2
121.10141	4.0
123.04413	2.1
125.09619	17.7
127.03915	12.1
128.06166	5.0
129.06973	9.2
131.08565	21.0
133.06491	2.4
133.10106	8.7
135.08051	14.0
135.11678	2.2
141.06976	6.2
142.07773	6.0
143.08568	20.9
145.06470	74.3
145.07613	4.1
145.10130	12.7
147.08041	8.5
147.11665	5.4
149.05928	3.2
149.09689	3.2
153.06953	3.4
153.09094	5.6
155.08556	12.1
157.10129	15.5
159.08012	10.0
159.11700	7.0
161.09599	5.4
161.13197	2.8
163.07507	4.2
167.08490	3.1
168.09348	6.8
169.10030	10.2
171.11707	4.2
173.09619	4.7
173.13284	6.2
183.11728	14.5
185.09628	3.2
185.13248	3.0
187.11153	2.5
187.14655	3.4
189.11198	9.9
197.13167	5.3
199.14903	2.6
201.12685	3.4
211.11136	4.5
215.14291	10.6
217.10060	3.4
225.16371	13.1
229.12215	7.1
233.15341	3.2
235.14687	4.6
243.17403	10.9
253.15839	11.0
271.16919	100.0
289.06598	3.8
289.10934	3.3
289.18002	29.4
289.21649	12.0
289.29132	4.9
312.82379	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	289.1793
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03916	1.1
54.30397	0.6
55.01859	3.6
55.05504	13.5
56.05021	1.1
57.03428	19.1
57.07056	2.3
58.33595	0.6
67.05492	9.4
69.03406	1.2
69.07078	3.5
70.24989	3.1
71.04971	1.0
74.06043	1.6
75.06396	0.8
79.05483	13.3
81.03398	5.9
81.07046	7.9
83.04967	1.3
83.08590	2.4
85.06538	1.2
88.07631	5.9
89.07956	1.2
91.05464	16.4
93.07036	5.6
95.04942	2.9
95.08583	2.7
97.06493	1.2
97.10157	3.7
99.04417	0.7
103.05441	1.2
105.03403	0.9
105.07024	8.1
107.04955	7.2
107.08580	6.1
109.06470	3.2
109.10151	3.4
111.08054	1.0
115.05472	1.2
117.07003	7.3
119.04965	1.0
119.08561	14.9
121.06504	6.3
121.10138	2.1
123.04408	2.2
123.08018	1.6
125.09586	2.1
128.06180	2.1
129.06973	2.5
130.07703	0.8
131.04906	3.1
131.08551	5.8
133.06480	2.3
133.10098	2.8
135.08031	8.8
135.11705	1.0
137.05931	0.9
137.09589	1.6
141.06949	1.9
142.07634	0.8
143.08572	3.5
144.05730	1.2
145.06445	5.9
145.10104	3.0
146.07326	1.0
147.08032	7.7
147.17445	0.7
149.09581	1.7
153.09073	1.4
155.08521	2.0
157.10098	1.7
159.08031	33.4
159.11685	1.3
160.08833	7.4
161.09567	4.1
163.07526	2.5
163.11195	1.1
165.09163	0.8
169.10027	1.2
171.11722	1.7
173.09616	4.2
175.11133	1.1
177.09053	2.4
181.10115	1.0
183.11658	1.1
185.09622	2.7
187.11110	1.4
187.14743	2.1
191.90683	0.7
193.12206	1.0
194.23016	0.7
205.15910	0.9
211.11140	1.1
215.14293	3.9
218.35861	0.7
225.16267	0.8
233.15324	10.9
242.24757	2.0
243.17435	3.0
243.25098	2.3
253.15826	5.2
261.18420	1.4
271.16879	21.1
289.17938	100.0
289.25348	8.2
290.18225	3.0
290.26923	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1541
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03935	0.9
55.01862	0.5
55.05501	1.5
57.03415	0.8
65.03901	0.7
67.05479	1.9
69.03407	1.2
69.07047	2.2
79.05497	2.6
79.25311	0.5
81.03407	0.9
81.07047	4.8
83.08595	0.7
84.04500	0.5
85.02895	0.8
91.05476	6.4
92.06224	1.0
93.07040	3.1
94.06506	1.2
95.04958	1.2
95.08597	3.9
96.08112	2.3
97.02889	0.6
97.06538	3.5
97.10143	0.7
98.20698	1.2
103.05453	0.6
105.07027	3.1
106.06534	1.8
107.04920	1.1
107.08568	2.3
108.08104	0.8
109.06493	0.9
109.10146	1.3
110.91340	0.5
114.12598	0.6
116.04982	1.0
117.05733	1.4
117.06970	1.1
118.06496	6.3
119.08571	3.7
120.08091	11.7
120.08910	1.2
121.10130	1.7
121.16547	0.7
122.09647	0.7
123.04402	3.2
123.11717	0.9
124.07578	10.9
126.09100	1.0
127.03892	8.9
131.08505	1.1
133.10101	1.5
134.06015	5.9
135.07996	1.0
135.11713	0.7
136.07549	6.9
137.06001	0.6
137.13176	0.6
138.05466	2.3
143.08568	0.9
145.06517	0.7
145.10117	1.1
146.05949	5.1
147.04372	0.8
147.06718	2.8
147.07947	1.1
147.11668	0.9
148.07559	10.9
150.09106	0.8
152.07027	1.6
153.05443	1.5
155.08571	0.8
157.10124	1.0
158.59288	0.5
159.07996	1.1
159.11702	1.1
161.13266	0.9
164.07047	100.0
165.07411	2.5
166.08620	3.6
167.06982	1.1
173.09642	1.0
183.11719	0.6
189.05406	0.8
193.04970	1.0
200.10698	0.7
215.15433	1.7
216.10115	2.6
229.12566	0.5
229.15825	0.7
243.14948	5.0
245.08046	0.8
245.16394	2.3
253.13342	1.3
254.11710	0.7
271.14383	20.6
271.16928	1.4
271.24323	0.6
289.06305	4.0
289.10297	2.1
289.15408	67.8
289.17899	2.7
289.24966	3.5
290.15677	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	289.1543
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03940	0.6
55.01878	0.5
55.05504	2.1
67.05496	1.7
69.03419	1.0
69.07055	1.1
70.06563	0.9
70.93430	0.4
70.93741	0.8
79.05487	3.3
80.04993	0.5
81.07050	3.1
83.04979	0.5
83.08624	1.1
84.04491	0.5
88.07619	0.8
91.05467	5.9
93.07056	2.7
94.06577	1.4
95.04952	1.0
95.08585	2.6
96.08112	1.7
97.06516	5.3
103.05458	0.6
105.05730	0.6
105.07018	2.6
106.06563	2.4
107.04945	0.7
107.08588	1.8
108.08076	0.8
109.06512	0.9
109.10146	1.1
116.04962	1.0
117.05770	1.2
117.07004	0.6
118.06520	5.8
119.07330	0.5
119.08607	2.2
120.08086	13.6
121.06502	0.7
121.10095	1.0
122.09619	0.7
123.04430	1.1
123.11626	0.5
124.07570	11.4
125.09576	0.5
126.09116	1.4
127.03902	5.7
129.06967	0.8
131.08548	1.0
133.05191	0.8
133.10097	1.2
134.06021	5.7
135.08032	1.3
135.11679	0.7
136.07552	6.3
138.05495	2.2
145.10075	0.8
146.05952	5.1
147.04381	1.2
147.06812	2.6
147.07872	0.7
147.11656	0.6
148.07547	10.4
149.06003	0.8
150.09077	1.1
152.07002	0.7
152.94334	0.5
153.05458	1.3
157.10185	0.6
159.08064	1.4
159.11673	1.2
160.08786	0.5
161.09650	0.9
164.07047	100.0
165.05496	0.5
165.07495	2.4
165.09027	0.8
166.08635	2.7
167.06923	0.6
171.11717	0.7
173.09631	0.8
174.12566	0.5
175.03851	0.8
183.11661	1.1
193.04895	0.8
200.10649	1.1
201.08922	0.6
203.03346	1.1
214.10960	0.9
215.15446	1.7
215.17694	0.5
216.10159	2.4
226.12276	0.6
228.10202	0.6
228.23178	1.1
229.13516	1.0
243.14929	4.8
245.07973	1.1
245.16451	2.4
253.13245	1.0
254.11768	0.8
271.14380	23.0
271.16748	0.9
272.14789	0.8
289.06497	1.2
289.10397	2.1
289.15381	68.5
289.17981	5.9
289.25143	1.2
290.15741	4.0
290.26791	1.5
303.47922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	5.2
55.05497	2.8
57.03431	1.3
61.02912	1.3
65.03931	0.8
66.08470	0.6
67.05488	5.2
68.99777	1.0
69.03402	2.8
69.07058	14.6
71.04993	0.8
71.08628	0.7
75.45389	0.7
79.05487	14.7
80.02420	0.7
81.03411	1.9
81.07054	7.1
83.04982	0.9
84.04479	3.7
85.02885	4.7
85.06516	1.5
91.05478	3.9
93.07043	4.6
95.04948	1.9
95.08604	6.0
97.02898	2.1
97.06522	75.5
98.06851	1.3
103.05451	1.2
105.07008	3.7
107.04951	1.7
107.08596	3.9
109.02861	1.6
109.10132	2.5
117.07024	1.1
119.04871	1.5
119.08549	3.1
121.02872	1.2
121.06487	1.0
121.10133	2.2
121.45810	0.7
123.04417	11.4
123.11690	1.6
127.03901	100.0
128.04228	1.6
129.07050	1.5
131.04887	3.6
131.08534	1.2
133.10130	2.3
135.04428	1.7
135.11674	2.0
137.02370	1.4
137.05907	0.9
138.93088	0.8
141.06993	1.3
143.08513	1.1
145.04993	0.7
145.06389	0.9
145.10077	2.1
147.04395	11.4
147.11667	3.2
149.02379	0.7
149.05962	0.8
149.13235	1.9
153.01790	1.2
153.05460	1.0
154.02184	0.8
155.02322	1.0
155.08553	1.0
157.10081	1.0
159.08020	1.0
159.11673	1.2
161.05954	1.6
161.13231	2.4
163.03889	6.1
163.14799	1.6
165.04214	1.3
165.05478	8.9
169.06740	0.7
170.30583	0.7
173.05943	1.1
173.13274	1.3
175.03867	4.6
175.14789	0.9
176.04674	1.3
187.07556	1.5
189.05396	4.9
189.16290	1.0
191.03374	4.3
192.04189	1.4
193.04942	15.9
196.34108	0.7
199.07413	0.9
201.09067	1.4
201.16637	0.8
203.03375	41.5
204.03786	1.6
205.05072	0.9
215.07047	1.0
215.40587	0.7
216.04169	2.4
217.04921	1.1
217.08446	3.6
219.10114	2.6
229.05037	1.1
245.08066	30.9
246.08347	1.5
261.11169	6.2
271.09647	0.9
271.24243	1.5
289.06076	14.9
289.10703	66.2
289.25150	6.3
290.05893	0.9
290.11084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03945	1.0
55.01845	1.0
55.05499	0.5
56.08743	0.3
57.03424	0.7
61.02913	0.8
67.05479	0.8
68.84897	0.4
68.99765	0.5
69.03419	1.7
69.07056	0.5
70.07792	1.0
70.08208	0.9
71.04993	0.4
72.83731	0.4
73.02882	0.3
75.91795	0.3
79.05472	0.8
81.03404	1.2
81.07043	1.3
83.04946	0.4
85.02891	5.0
91.05472	1.0
93.07030	0.5
95.04911	0.4
95.08573	0.9
97.02875	1.9
97.06519	2.6
105.07003	0.8
107.08552	0.7
109.02881	1.2
109.10175	0.5
115.05485	0.4
117.07041	0.4
123.04396	0.7
127.03899	100.0
128.04227	1.2
129.06975	0.8
131.08565	0.4
133.06464	0.5
133.10123	0.5
141.06927	0.5
143.08531	0.4
145.04912	0.8
145.06450	0.8
145.10066	0.5
147.04401	0.8
153.01694	0.3
153.05443	0.4
153.06871	0.3
155.04930	0.4
155.08548	1.3
157.10034	0.5
159.08008	1.0
161.05943	1.0
163.03860	0.8
164.07085	0.7
165.05504	0.4
173.05960	3.1
173.09570	0.6
175.07549	1.0
176.04645	0.4
177.05301	0.3
177.09319	0.4
179.08592	0.7
181.06456	0.4
182.07350	0.4
183.04385	0.5
183.07983	1.0
183.11716	0.5
185.05951	0.4
185.09546	0.5
187.04105	0.4
187.07503	2.8
189.05463	1.0
189.09073	0.6
191.03323	0.4
193.04898	1.0
197.05923	0.5
197.09587	0.9
199.07430	0.7
201.05435	4.8
201.09085	5.8
203.03372	1.3
205.04965	0.9
207.08095	0.9
210.06772	0.4
211.07503	2.2
215.07068	0.4
215.10724	0.4
216.04114	1.0
217.08701	0.4
225.09094	4.4
227.10631	0.6
229.05023	1.7
229.08597	1.5
229.12157	0.6
243.10130	6.8
245.08046	4.4
253.08669	1.1
261.04047	0.4
271.09576	3.3
289.05991	5.3
289.10730	4.7
289.15240	0.8
289.25208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0912
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	1.2
54.46400	0.5
55.01861	1.6
55.05499	0.9
57.03442	1.1
61.02921	0.7
61.21378	0.4
65.70211	0.5
67.05494	2.4
69.03417	2.4
69.07066	4.2
71.10184	0.6
71.10524	1.1
71.45957	0.5
73.02917	0.5
79.05485	4.6
81.03404	1.1
81.07035	2.3
84.04501	1.5
85.02898	5.5
91.05453	1.3
93.07042	1.1
95.04987	0.8
95.08584	1.6
97.02882	1.4
97.06521	30.8
105.06992	1.4
107.08568	1.3
109.02851	1.0
109.10175	1.2
117.06955	0.5
119.04942	0.6
119.08561	1.0
121.10135	1.1
123.04414	3.6
127.03901	100.0
128.04237	1.0
131.04910	1.5
131.08548	0.9
133.10107	0.9
135.04405	0.8
135.11728	0.6
137.02225	0.5
145.06503	0.7
147.04411	4.6
147.11662	0.9
149.05910	0.5
149.13258	0.5
158.93871	0.5
160.05156	0.5
161.05974	0.8
161.13174	0.5
163.03915	2.7
165.05481	4.2
175.03909	2.6
176.04649	0.7
189.05447	1.7
191.03384	2.1
193.04971	5.9
201.09151	0.6
203.03369	15.4
216.04181	1.3
217.08591	1.2
219.10185	0.7
221.91405	0.4
245.08076	12.5
245.10606	0.7
261.11206	2.2
289.05850	1.3
289.10687	25.3
289.17755	0.7
289.25076	2.4
290.11093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03935	0.5
55.01863	0.3
57.03414	0.4
59.04988	0.2
61.02906	0.5
69.03410	1.7
71.04984	0.4
71.45585	0.3
71.45929	0.3
73.02904	0.4
76.86452	0.2
78.56631	0.2
81.03394	0.9
81.04568	0.2
83.01347	0.3
85.02387	0.3
85.02887	4.3
87.04407	0.2
91.03951	0.3
97.02878	2.2
109.02862	0.9
127.03896	100.0
127.16348	0.2
128.04227	1.3
145.04941	0.7
160.28302	0.2
163.03830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01864	1.5
55.05489	0.9
65.03922	1.6
67.01841	1.5
67.05506	1.0
68.99781	4.5
69.03422	2.0
69.57667	6.4
79.05491	1.5
81.03397	1.5
83.04976	1.4
84.08133	1.1
85.02892	1.8
91.05466	5.6
93.06996	1.3
95.04945	2.2
97.02872	2.6
98.20702	1.5
105.06995	1.4
107.04255	1.1
107.04948	19.7
111.04436	1.1
117.06985	1.1
119.04160	0.8
119.04913	3.9
119.08530	0.9
121.02850	10.3
123.04414	1.4
127.03903	29.2
129.06976	1.8
131.04948	1.3
131.08574	1.0
133.02785	1.0
135.04428	1.2
137.02303	1.9
139.02844	1.0
139.03900	1.6
141.06973	5.5
145.02798	1.5
145.06479	1.9
145.10095	0.9
147.04411	2.2
147.08047	2.3
148.17091	0.8
149.02325	62.1
151.03912	1.0
153.01808	18.9
155.04944	0.9
159.04384	2.2
159.08025	2.4
163.03819	1.6
167.03403	2.3
169.06450	5.8
169.07697	1.0
171.02904	2.3
173.05974	3.4
177.05426	1.1
183.11668	1.0
185.05956	1.3
187.03917	1.7
187.07515	3.0
197.05968	7.9
200.04712	0.9
201.09038	1.0
205.04915	1.4
213.05402	1.7
215.07022	68.7
223.06001	2.9
225.05469	2.4
227.07033	0.9
229.04922	2.4
243.06508	100.0
244.06911	1.1
245.08095	1.0
253.04881	2.0
256.07361	1.4
261.12213	1.1
265.54941	0.8
271.05966	36.4
271.09576	6.9
271.13965	0.9
289.06247	9.9
289.10818	2.6
289.15594	1.5
289.18427	1.1
307.05023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03945	0.8
55.01858	2.6
55.05490	0.6
57.03433	0.8
61.02937	0.6
67.05493	2.2
69.03418	3.2
69.07053	5.5
69.08983	0.4
69.25001	1.8
69.25431	3.7
71.04971	0.4
79.05483	5.7
81.03397	1.0
81.07044	3.2
83.35284	0.5
85.02899	4.7
85.86502	0.4
91.05474	1.6
93.07027	2.3
95.08596	2.9
97.02879	2.1
97.06521	26.7
105.07015	1.6
107.08591	2.2
109.02877	0.7
109.10155	1.2
117.05447	0.6
117.06984	0.5
119.04899	0.9
119.08554	1.9
121.06514	0.5
121.10135	1.1
123.04424	4.9
123.11710	0.6
124.36202	0.5
127.03900	100.0
128.04245	1.7
131.04962	0.8
131.08560	0.8
133.10147	1.3
135.04419	1.2
135.11670	0.9
137.02356	0.6
137.05959	0.7
139.03865	0.9
143.08580	0.5
145.04889	0.5
145.10141	0.8
147.04372	3.5
147.11685	0.9
149.13260	0.9
153.01807	0.9
153.05423	1.4
159.11720	0.7
161.13274	0.7
163.03868	2.8
165.05438	3.5
173.13232	0.7
175.03839	2.9
175.14793	0.9
176.04601	0.5
177.05513	0.8
183.11659	0.9
189.05469	2.2
191.03392	1.2
193.04965	2.6
203.03372	13.3
204.03790	0.7
216.04185	0.9
217.08630	1.4
219.10178	1.0
244.65804	0.5
245.08064	11.6
246.08578	0.5
261.11191	4.9
263.56226	0.6
271.09625	1.0
271.24149	0.6
289.06357	1.6
289.10690	25.7
289.25241	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25489	0.8
55.01873	1.0
56.96267	0.9
56.96545	2.6
57.03417	3.6
58.99842	1.4
61.02911	2.3
69.03414	6.8
70.06568	4.5
70.46943	3.5
70.99847	1.1
71.06894	1.0
72.08136	1.6
73.02919	2.3
75.04439	1.4
77.00890	1.7
79.29123	0.8
81.03381	2.4
81.04498	4.6
82.99842	2.3
84.08151	5.2
85.02903	7.9
86.09693	2.0
87.04455	2.8
94.06542	1.3
95.06078	1.2
97.02876	6.7
98.03190	1.1
98.20678	1.1
98.97559	3.6
99.04412	1.0
101.00228	1.6
101.00869	29.9
101.01532	1.9
103.02387	2.4
105.00396	1.0
108.13715	1.1
109.07632	3.5
112.99124	1.3
113.00861	2.7
115.02426	13.3
116.07027	1.1
116.98626	2.7
117.03999	1.9
119.01904	100.0
120.02007	3.0
121.01608	1.7
121.03442	1.6
125.07094	2.2
127.03923	2.3
127.05005	2.6
127.08665	5.1
128.29382	1.1
128.98625	1.2
129.03996	2.6
131.00180	1.4
131.01880	13.2
133.02487	2.1
133.03452	29.6
133.04967	1.8
135.03195	1.4
135.04988	1.7
137.02939	23.8
138.05415	1.2
142.03497	1.6
142.50975	1.1
143.01901	13.5
143.08170	4.6
144.99786	3.4
145.03429	4.9
146.99559	3.0
147.01332	2.4
147.03154	1.7
147.05038	6.5
149.01109	1.3
149.02968	4.7
151.04497	6.5
155.01863	3.1
157.03452	3.6
158.99570	1.7
159.01372	2.0
161.02930	45.4
162.03136	1.7
162.63797	0.9
163.02675	1.1
163.04512	1.9
168.99815	6.9
169.54536	1.1
171.01337	7.7
172.99268	1.0
173.02945	13.2
175.00838	2.9
175.04507	3.0
176.47742	1.0
176.56158	1.1
177.02332	1.5
178.04884	3.3
178.55037	1.5
179.02277	1.0
179.03969	3.7
185.02945	4.5
187.00864	19.3
187.04442	2.2
189.02396	13.2
191.02257	1.6
191.03935	8.9
192.04614	1.0
194.04405	1.2
196.99300	2.4
199.00888	8.7
199.04572	1.2
201.02304	2.1
203.03976	2.2
205.01970	8.0
207.03540	5.1
215.00336	21.9
215.03859	1.5
217.00055	1.7
217.01923	18.4
219.03459	6.2
221.05064	2.4
227.03943	1.6
229.01881	6.0
229.15588	1.5
231.03406	1.5
233.01364	4.2
235.02998	1.7
237.02713	1.1
238.01863	1.4
247.02979	18.2
257.01517	2.2
259.03073	1.3
265.03912	4.8
265.06583	1.0
277.04056	2.9
289.03967	5.2
289.07690	6.6
289.11618	2.9
289.14505	1.4
289.17587	3.3
289.20575	1.6
290.12280	1.1
299.53839	1.1
307.05035	4.9
307.08582	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	289.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46417	2.7
55.05492	3.6
56.96548	4.0
59.04972	2.7
67.05493	4.5
69.03406	5.4
70.06583	3.8
71.04974	4.2
71.63213	3.3
73.75594	2.6
79.05465	4.5
81.03387	4.3
81.07037	6.6
83.04947	9.3
84.08091	3.4
85.02885	4.4
91.05473	5.6
95.04956	3.7
97.02867	23.1
98.97538	3.3
99.04449	2.9
100.11226	3.9
103.05432	2.8
105.07024	5.9
111.04430	2.9
115.05436	3.6
117.06996	2.9
123.04417	4.6
127.03902	34.4
129.06982	4.2
131.08525	6.6
137.02306	5.3
137.05934	3.6
141.07010	3.3
143.08539	7.5
145.10188	4.3
147.04422	3.1
149.05951	3.4
153.06969	4.1
155.08493	6.0
157.05005	3.4
157.10078	3.5
159.08075	3.3
161.05899	3.1
167.08815	2.6
168.09306	4.4
173.09619	3.4
183.11670	11.2
185.02071	13.7
187.07419	2.9
197.05893	3.6
200.09320	2.8
201.08960	5.0
201.12689	4.0
213.01451	5.7
215.07025	3.1
229.01065	100.0
229.12231	11.9
243.06543	6.0
257.00555	27.7
270.63531	2.7
271.05984	5.7
275.01614	6.7
289.03186	69.7
289.06885	8.3
289.11490	6.1
289.17862	3.3
289.21216	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	287.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01122	0.5
55.01856	1.3
55.05497	2.7
55.80007	0.5
57.07061	1.7
59.04984	1.1
65.03920	1.9
66.04701	0.5
67.05489	4.4
68.99778	2.9
69.03398	1.8
69.07060	3.7
71.04989	0.9
71.65947	1.0
79.05479	5.1
81.03402	1.3
81.07039	6.4
82.77280	0.5
83.04951	1.5
83.08598	1.4
85.06551	1.1
88.19308	0.6
91.05457	5.1
93.03394	1.5
93.07043	6.2
95.04952	7.4
95.08591	4.8
97.06506	3.7
97.10146	0.6
98.98456	1.1
103.05473	1.1
105.03410	0.8
105.07020	8.8
105.63634	0.5
107.04938	2.3
107.08578	8.4
108.02077	0.7
109.02898	0.6
109.06506	3.6
109.10140	4.4
111.00786	1.3
111.04431	3.2
116.06223	0.7
116.98585	0.5
117.06993	3.9
119.08573	9.0
121.02850	44.4
121.06473	3.0
121.10113	6.8
122.03140	1.4
123.04410	1.5
123.08020	1.3
123.11678	1.0
125.09567	0.7
128.06189	1.9
129.07005	3.4
131.08531	6.7
133.02831	1.2
133.06448	1.1
133.10110	6.0
135.04422	1.0
135.08031	2.3
135.11658	1.7
137.02318	5.6
137.05957	7.9
137.09566	0.9
139.03847	1.9
141.06956	1.7
142.07735	2.9
143.08530	5.9
144.09286	1.9
145.02788	1.0
145.06477	1.4
145.10101	6.0
147.04341	1.7
147.08022	1.8
147.11659	2.0
149.05943	2.8
149.09595	2.6
149.13228	1.0
151.03885	30.8
151.11119	0.7
152.04240	1.1
153.01807	10.1
153.05515	1.0
155.08582	1.7
156.09317	3.4
157.06454	2.0
157.10104	6.8
158.10875	2.7
159.08083	0.6
159.11679	7.0
161.05960	1.7
161.09595	2.1
161.13235	1.9
163.03870	2.4
163.07533	1.3
163.11121	0.9
165.01814	2.5
165.06953	1.6
168.09204	0.7
169.06494	0.8
169.10109	2.2
170.10878	2.5
171.04401	1.0
171.11671	7.4
172.12448	1.0
173.09636	0.7
173.13216	9.2
174.14084	0.8
175.07527	0.6
175.11156	1.3
175.14772	1.4
177.05426	1.4
179.08528	0.6
180.09256	0.7
181.03113	0.7
181.53723	0.6
183.02843	1.2
183.11693	1.7
184.12372	1.0
185.05971	1.8
185.13220	4.9
186.13991	2.0
187.11172	2.4
187.14824	3.8
189.05440	0.9
189.12755	1.6
189.16467	0.7
191.06967	1.3
191.14253	1.4
195.08026	0.7
195.11630	3.2
196.12526	0.5
197.05928	1.3
197.13223	1.1
198.10352	0.8
199.11124	1.3
199.14824	1.5
201.12749	0.6
201.16309	0.7
203.14282	1.9
209.13213	1.2
211.11217	0.7
211.14838	1.9
213.05438	3.6
213.12747	5.2
213.16383	1.2
216.04204	1.7
224.22032	0.6
227.03398	0.9
227.14305	1.8
229.15872	2.0
231.06494	2.0
231.13742	4.5
241.04904	2.4
241.08607	1.5
241.15759	0.8
241.19572	1.4
243.13974	0.6
244.03641	1.1
245.04422	0.7
251.17831	1.3
255.02849	1.6
258.05243	1.9
259.05975	2.0
259.20352	0.8
269.04480	1.1
269.08139	2.1
269.19006	13.5
269.22183	0.8
287.05487	100.0
287.08939	11.1
287.16461	1.8
287.20001	24.3
287.23532	2.4
288.05679	8.8
288.09000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
53.00080	2.8
55.05498	6.2
55.14684	2.7
55.85272	2.5
57.07032	3.1
67.05484	11.8
69.07057	34.0
69.41968	24.6
69.42373	4.7
79.05484	4.2
81.07054	16.9
83.08604	5.0
91.05444	7.5
93.07024	4.5
95.04948	6.0
95.08580	15.4
97.06497	3.4
98.20747	5.2
98.39644	3.0
98.42318	3.3
99.04427	4.2
105.07029	19.1
107.08574	12.6
109.10136	18.2
111.04437	6.6
113.05974	9.4
117.06963	5.9
119.08572	34.4
121.10117	11.1
123.11686	20.4
130.07722	3.5
131.08542	11.6
133.10121	20.9
135.08009	5.2
135.11688	5.5
143.08525	5.6
144.09328	3.2
145.10098	20.5
147.07990	3.9
147.11653	13.3
149.13287	3.0
153.01811	4.5
157.10121	11.4
159.11653	13.5
160.58095	3.1
161.09509	3.7
161.13213	22.9
163.11154	6.6
171.11691	10.6
173.09641	3.5
173.13208	11.5
175.11084	3.5
175.14793	24.1
181.93628	3.5
185.13268	6.6
188.15509	4.5
189.16394	9.7
191.10635	7.0
195.11739	3.8
199.11064	5.9
199.14908	3.8
201.16447	15.2
205.12135	5.3
211.14636	3.0
213.12779	5.8
213.16228	3.5
217.12283	4.1
227.17918	7.2
231.13799	11.7
241.19528	6.7
245.19014	5.0
259.20578	3.4
269.18994	10.1
287.05441	24.7
287.20044	100.0
287.23419	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	287.2002
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.05493	4.3
57.07051	3.0
63.00034	2.2
63.27015	1.2
67.05487	7.3
68.99789	2.8
69.03410	3.0
69.07043	6.0
69.51655	3.2
69.52074	9.1
71.05009	1.6
79.05481	7.3
79.59464	1.5
79.95652	1.4
81.07045	6.9
83.04970	2.4
83.08608	1.9
91.05482	8.1
93.07030	11.6
95.04965	8.1
95.08596	9.8
97.06528	4.4
98.20732	2.3
98.98422	1.7
103.05421	1.8
103.87518	1.4
105.07028	9.9
107.08588	12.8
109.06501	4.7
109.10144	3.8
110.41002	1.2
111.00740	1.7
111.04391	1.7
111.08070	1.2
117.06998	5.3
119.08582	12.6
121.02859	5.2
121.06503	2.6
121.10143	10.4
123.04431	1.6
123.08063	2.0
123.11708	2.1
128.06306	2.1
129.06987	4.7
130.07822	2.1
131.08540	7.6
133.10132	9.2
135.08041	3.5
135.11650	2.0
137.02328	3.3
137.05945	2.1
141.06937	1.6
142.07765	1.9
143.08562	7.4
144.09396	2.6
145.10088	10.9
147.04437	1.4
147.08057	4.1
147.11670	4.9
149.02269	1.6
149.09596	9.8
151.11160	2.3
153.01790	9.9
155.08537	3.0
156.09309	3.4
157.06470	2.3
157.10124	9.1
158.10902	2.3
159.11684	8.7
161.09663	2.1
161.13214	2.5
163.03784	1.6
163.07579	2.2
165.01845	3.3
169.10091	3.6
170.10817	2.2
171.11690	7.1
173.09596	1.6
173.13219	10.4
175.11134	2.8
175.14912	2.1
181.10045	2.0
183.11641	3.1
184.12306	1.8
185.09692	1.7
185.13261	7.5
186.14034	2.5
187.14787	4.6
189.12764	3.2
191.14246	3.6
195.11719	3.4
196.12410	1.8
197.09546	1.5
199.11134	2.5
199.14977	1.9
203.14211	3.0
209.13217	1.7
213.05469	4.3
213.12689	7.6
213.16354	1.6
227.14278	2.6
231.06525	2.3
231.13707	4.3
241.05075	1.7
241.19518	3.5
245.18811	1.9
251.18175	1.7
258.05292	1.7
259.06091	2.3
269.18961	17.3
270.27994	1.5
287.05484	100.0
287.16779	2.2
287.20087	35.0
287.23309	2.3
288.05722	6.5
288.28918	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	287.2004
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
53.03923	1.6
55.01859	1.2
55.05501	6.2
56.81134	0.7
57.03414	1.6
57.07070	1.7
65.03936	1.0
66.55689	0.7
67.01850	0.9
67.05495	10.2
68.99765	2.1
69.03396	1.6
69.07056	7.9
69.62525	3.2
69.62933	1.7
77.99582	0.7
79.05480	9.9
81.03402	1.9
81.06568	1.0
81.07047	17.2
81.07520	0.6
83.04936	1.6
83.08605	2.3
85.06535	0.8
91.05462	11.8
93.07030	18.2
95.04937	3.2
95.08591	21.7
97.06511	3.0
97.10143	2.0
98.98406	1.2
103.05426	1.3
105.03416	1.2
105.06358	1.4
105.07023	20.7
105.07730	1.3
107.04930	3.4
107.08572	15.1
109.02875	1.0
109.06494	1.2
109.10127	10.5
110.10564	0.8
111.00793	1.9
111.04429	1.6
111.08073	1.0
115.05441	2.4
117.07000	6.9
119.04920	1.2
119.08564	19.5
121.02847	8.8
121.06474	3.4
121.10116	12.1
123.04404	1.9
123.08039	1.9
123.11674	4.3
125.05981	1.2
128.06204	3.4
129.06972	7.4
130.07787	1.1
131.04927	1.4
131.08566	11.1
133.06535	1.9
133.10103	11.1
135.04398	1.2
135.08061	1.9
135.11668	6.4
137.02336	6.3
137.05986	3.2
139.07497	2.3
141.06966	1.8
142.07788	4.0
143.08531	13.3
143.09526	1.5
144.09302	1.4
145.06456	2.2
145.10085	15.5
147.04364	2.9
147.08012	2.9
147.11656	8.5
149.02281	0.8
149.05948	3.2
149.09625	1.3
149.13222	6.5
151.07524	1.6
153.01791	7.4
155.08511	2.1
155.64035	0.7
156.09337	2.6
157.06470	4.0
157.10095	13.8
158.10928	0.9
159.08034	2.4
159.11658	10.7
161.05901	1.6
161.09546	2.5
161.13184	5.0
163.03868	1.4
163.07515	4.7
163.14767	2.2
165.01833	2.7
165.09062	1.9
167.08551	1.4
169.06335	0.9
169.10112	2.7
170.10837	1.5
171.04398	1.2
171.08043	2.3
171.11658	14.5
173.09584	3.3
173.13232	8.1
175.07520	1.9
175.11118	2.1
175.14812	3.8
177.05521	0.9
177.09129	2.8
179.10667	1.3
183.02875	1.6
183.11705	2.2
185.05911	2.2
185.09601	3.0
185.13211	12.6
186.13966	1.1
187.11156	2.1
187.14812	5.3
189.05475	2.7
189.09071	2.4
189.12863	1.1
191.10648	4.2
193.12219	1.2
195.11563	1.4
197.05956	1.4
199.07547	1.1
199.11139	4.2
199.14807	7.0
201.12798	0.8
201.16354	2.6
203.10680	3.9
205.12231	3.8
209.13092	1.1
211.14758	0.9
212.15704	0.7
213.05475	5.8
213.08954	1.3
213.12679	2.1
213.16386	2.4
216.04169	1.1
217.12227	8.0
219.13873	0.9
223.94360	0.8
225.16451	1.8
227.14342	1.8
227.17859	9.0
229.04842	1.0
231.06490	2.4
231.13715	4.7
236.31561	0.8
241.04945	3.5
241.08702	1.6
241.15880	1.5
241.19455	19.8
245.15298	1.5
251.18005	2.4
258.05298	2.5
259.05988	2.3
259.09604	0.9
259.13226	0.9
269.04422	1.5
269.18961	16.8
269.22131	1.6
287.05463	100.0
287.20035	54.8
287.23486	3.6
288.05814	7.7
288.20316	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	287.2002
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
53.03925	1.4
55.01858	0.9
55.05496	2.8
57.03415	0.8
57.07067	3.5
59.04991	0.9
65.03925	2.1
67.05497	8.2
68.99773	2.5
69.03412	2.7
69.07063	4.8
70.98525	1.9
71.04984	1.1
78.91788	0.6
79.05492	7.3
81.03371	1.2
81.07049	9.6
83.04963	2.0
83.08591	1.8
85.06521	2.4
91.05475	7.2
93.07042	9.1
95.04955	9.1
95.08025	0.9
95.08594	9.5
97.06525	4.9
98.98465	0.7
99.04433	0.7
101.19009	0.6
103.05474	1.1
105.03380	1.3
105.07016	12.3
105.07659	1.3
107.04933	2.5
107.07931	1.0
107.08587	13.2
109.02838	0.9
109.06510	4.0
109.10149	5.7
111.00794	1.3
111.04419	1.0
111.08041	1.7
115.05404	1.9
117.07004	4.1
117.07729	0.8
119.08571	13.0
121.02855	8.5
121.06490	2.7
121.10124	10.0
123.04421	1.3
123.08058	1.0
123.11655	1.6
125.09636	0.6
128.06171	3.0
129.07004	3.2
130.07750	0.8
131.08549	10.9
133.10114	8.9
134.10854	1.2
135.04442	1.5
135.07991	3.2
135.11693	2.6
137.02341	4.4
137.05962	1.8
137.09612	1.4
141.06972	2.2
142.07765	4.2
143.08519	8.8
144.09337	2.9
145.06447	1.4
145.10106	12.5
147.04398	1.3
147.08060	2.1
147.11649	5.5
149.02333	0.9
149.09622	3.8
149.13242	1.2
151.03862	1.2
151.11201	1.8
152.13089	0.6
153.01810	10.5
153.05415	1.1
153.06833	1.0
155.08530	2.6
156.09308	3.3
157.06499	2.6
157.10118	12.5
158.10913	3.3
159.08017	1.1
159.11682	10.8
160.12422	1.2
161.05966	1.2
161.09593	2.4
161.13277	3.1
163.03900	1.3
163.11166	0.8
165.01909	3.1
165.06973	2.5
167.08499	1.1
169.06471	1.6
169.10080	3.1
170.10907	4.2
171.04411	1.2
171.08005	1.5
171.11679	10.2
172.12448	2.2
173.06059	0.8
173.09613	1.5
173.13242	14.2
175.07591	0.8
175.11147	2.4
175.14790	2.4
177.05411	0.9
177.12718	1.1
179.08554	1.3
181.10185	1.6
183.02823	1.0
183.08055	1.0
183.11658	2.6
184.12407	1.3
185.05951	1.3
185.09636	1.6
185.13222	8.4
186.13989	2.2
187.11208	3.6
187.14780	6.0
189.05441	1.1
189.12737	2.8
191.03468	1.2
191.06958	1.1
191.14351	1.8
195.11655	3.5
196.12523	1.3
197.13243	1.8
198.10376	1.3
199.07475	1.3
199.11180	2.5
199.14761	3.1
201.12662	1.5
201.16437	1.0
203.14287	2.5
209.13248	1.8
211.14796	3.3
213.05479	4.1
213.09084	0.9
213.12717	9.6
213.16333	1.6
216.04192	3.2
217.04851	0.9
221.13206	1.0
225.16373	1.4
227.03377	3.0
227.14282	3.1
227.17935	0.8
229.15887	2.6
231.06467	2.1
231.13712	5.6
241.04956	2.0
241.08614	1.5
241.19444	3.3
244.03799	1.2
245.04471	1.7
251.17889	1.5
255.02940	2.0
258.05267	1.8
259.06027	4.6
259.20554	1.1
269.04410	1.1
269.08203	1.2
269.18988	21.2
287.05481	100.0
287.08844	6.9
287.16534	1.6
287.20023	34.5
287.23489	3.1
288.05820	9.0
288.20248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.19047	0.3
55.01862	0.4
55.05500	0.2
65.03922	1.6
67.05494	1.4
68.05018	0.4
68.99792	1.0
69.07058	3.7
69.11040	0.3
70.06572	0.3
70.54083	0.5
70.54469	0.5
78.04723	0.3
79.05470	1.5
80.05010	0.8
81.03409	1.5
84.08138	0.3
91.05466	2.7
92.04976	0.4
92.06248	0.3
93.03391	1.4
93.05772	0.9
93.07061	0.4
94.06550	4.4
95.04961	1.8
97.06521	1.1
103.05455	0.5
104.04990	1.4
105.03348	0.3
105.05689	0.3
105.07050	0.4
106.06546	0.5
107.04936	1.3
108.04462	0.3
109.02885	0.8
110.06063	1.8
111.04422	0.9
112.07561	0.7
115.05451	0.6
116.04969	0.8
117.05749	0.4
117.06997	0.4
118.06529	32.4
119.07323	5.5
120.08083	3.0
121.01977	0.3
121.02850	6.9
122.06015	7.5
123.04395	1.9
124.07570	0.8
125.99016	0.3
127.03919	0.4
128.06226	0.5
128.07082	1.1
129.06999	1.1
130.06549	0.4
131.04938	0.5
131.08539	0.3
134.05995	0.4
135.04396	1.0
137.02325	19.3
137.05959	0.9
138.02676	0.6
139.05412	0.7
140.07050	6.3
140.10739	0.3
141.06944	0.7
142.08591	0.9
143.05005	0.3
143.07335	0.5
143.08496	0.5
144.08044	0.6
145.02856	0.3
145.06415	0.5
145.10150	0.3
146.05989	10.8
147.04378	0.4
147.06779	8.6
147.07977	0.6
148.07549	13.2
149.02333	4.9
149.05956	1.9
150.03119	0.4
153.01846	0.6
153.05402	0.5
157.06454	3.3
157.08727	0.3
158.09654	0.7
161.05942	0.6
163.03908	0.9
164.07036	1.9
167.03416	1.0
167.04779	0.3
167.07109	0.4
167.08522	0.4
169.06429	0.6
170.09657	0.9
171.04384	1.0
171.10461	0.7
174.05458	0.4
174.09091	0.9
175.07578	0.5
177.05463	0.9
181.08830	0.6
183.10463	0.5
185.05960	5.8
185.11993	0.3
186.09134	1.0
186.12802	0.5
188.10690	1.1
189.05470	0.9
189.11478	1.6
191.03348	0.5
195.05670	0.4
195.08005	0.5
196.11211	0.9
197.05931	0.5
198.09172	0.6
198.12773	0.8
199.07820	0.3
199.09857	1.5
203.07028	0.6
211.09950	0.3
212.04628	0.6
212.10724	0.4
213.05455	10.8
213.08731	0.4
213.13730	0.4
214.05809	0.4
214.12241	3.9
216.04185	0.5
216.13840	1.1
223.03920	0.6
223.07472	0.5
224.10680	0.9
226.06085	0.6
226.12428	2.5
227.07179	0.4
228.07857	0.6
228.12631	0.3
229.04968	0.4
231.06496	2.5
241.04936	4.5
241.08463	3.4
241.13301	1.6
242.05342	0.5
242.09775	0.2
242.11719	12.1
243.14926	15.6
244.15262	0.3
252.10098	0.6
253.09845	0.3
254.10489	0.4
258.05252	1.5
259.06079	0.8
259.09698	0.4
259.14441	1.2
269.04605	2.0
269.08044	0.8
269.12787	8.1
269.15424	0.6
270.11203	16.7
271.11676	0.4
287.05475	100.0
287.08713	3.9
287.13828	10.0
288.05774	5.6
305.14789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01855	1.1
55.05487	0.4
65.03924	1.2
66.04711	0.4
66.34152	0.4
67.05499	2.3
68.99769	1.3
69.03403	1.0
69.07052	5.1
70.06566	0.6
71.04955	0.7
71.59189	0.6
72.08120	0.6
79.05477	1.8
80.04992	1.2
80.94851	0.3
81.03402	2.1
81.07033	0.7
83.04964	0.8
84.08130	0.6
84.79686	0.3
84.96024	0.4
86.09674	0.4
87.52486	0.3
91.05463	4.0
92.76538	0.4
93.05764	0.9
93.07019	1.2
94.06551	6.1
95.04974	2.3
97.06524	2.4
103.05466	0.9
104.04984	2.0
105.03400	1.5
105.07010	1.1
107.04936	1.2
107.07344	0.4
107.08544	0.3
108.08150	0.6
110.06035	1.4
111.04432	0.7
112.07540	0.9
115.05458	1.0
116.04938	0.5
117.05727	0.5
117.06992	0.7
118.06522	38.5
119.04952	0.6
119.07320	6.4
120.08102	3.3
121.02829	3.1
121.06468	0.4
121.10081	0.5
122.06010	8.9
123.04410	1.5
124.07570	1.3
127.03997	0.4
128.06201	0.6
128.07114	0.4
129.06985	1.1
130.06508	0.5
131.04947	0.5
133.02852	0.6
133.06465	0.7
133.10144	0.5
133.12543	0.4
134.06009	1.0
135.04466	0.4
137.02315	17.3
137.05948	2.7
139.05402	0.9
140.07039	9.5
141.06935	1.1
142.08629	1.1
143.04922	0.6
144.08038	0.8
145.06454	0.7
146.05986	13.7
147.04382	1.8
147.06778	9.3
147.07947	0.7
148.07547	17.5
149.02312	1.6
149.05980	1.0
149.09668	0.4
151.03886	0.5
152.06168	0.4
153.01805	2.6
153.06984	0.5
154.07680	0.6
156.08115	0.5
157.06483	3.9
158.09625	1.1
160.05118	0.4
161.05965	1.1
163.03909	1.5
164.07013	3.1
165.01804	1.1
165.07008	0.4
167.03354	0.5
167.07213	0.5
167.08522	0.6
168.08003	0.4
169.06476	0.7
170.09595	0.9
171.04366	0.8
171.08064	0.4
171.10425	1.3
172.07536	0.5
173.05878	0.4
174.09067	1.2
175.03831	1.2
177.01802	1.2
177.05438	1.0
180.08003	0.4
181.08878	0.8
184.05171	0.7
185.05946	3.5
186.09157	1.4
187.03917	0.7
188.10716	1.2
189.05438	17.9
189.11374	2.2
190.05745	0.9
191.70357	0.5
193.04938	1.6
195.04301	0.4
195.08020	0.8
196.11255	0.5
197.05914	2.8
198.09149	0.7
198.12793	1.2
199.03899	1.1
199.10046	1.9
200.10637	0.4
201.05460	0.4
201.09041	0.5
203.07019	0.8
211.10165	0.6
213.05432	16.5
213.13846	0.8
214.05791	0.8
214.12259	4.0
215.07077	0.7
216.13831	0.8
217.04956	2.2
223.07428	0.6
224.10698	1.6
225.73523	0.5
226.06229	1.1
226.08696	0.5
226.12387	3.4
227.03270	0.4
227.07014	0.8
227.09329	0.6
228.07713	0.4
231.06456	3.4
241.04938	10.0
241.08527	4.9
241.13287	2.7
242.05290	0.8
242.11700	16.0
243.06488	1.1
243.12297	0.9
243.14880	17.8
244.15211	0.6
245.08052	0.7
251.11630	0.5
252.10237	0.5
252.85144	0.4
254.10565	0.6
255.06509	0.6
258.05292	0.7
259.05966	1.6
259.09659	0.7
259.14371	1.5
269.04498	4.6
269.08038	1.2
269.12805	12.5
269.15793	0.6
270.11194	20.4
287.05472	100.0
287.08942	7.3
287.13821	12.9
288.05820	5.7
305.14935	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03931	0.4
53.50660	0.2
55.05494	0.3
65.03924	0.6
65.38628	0.2
67.01842	0.4
67.05489	0.3
68.99778	2.4
69.03405	0.4
69.07052	0.6
71.59244	0.3
78.15534	0.2
79.05503	1.2
81.03398	0.6
81.07022	0.4
91.05468	0.9
93.07013	0.6
94.04142	0.2
95.04950	0.7
95.08586	0.5
97.02894	0.5
97.06506	0.4
98.20979	0.2
103.05449	0.5
105.03378	1.1
105.07008	1.0
107.04918	1.1
107.08550	0.5
109.02851	0.8
109.06512	0.2
109.10150	0.4
109.40617	0.2
111.00774	1.2
111.04420	0.6
115.05448	0.3
117.06982	0.3
119.04933	0.4
119.08558	0.8
121.02856	6.0
121.06486	0.3
121.10098	0.3
123.04424	1.0
125.09602	0.3
126.09166	0.2
127.03863	0.3
128.06242	0.6
129.06044	0.2
129.06987	0.6
131.04907	0.2
131.08574	0.3
133.02853	0.8
133.06522	0.3
133.10088	1.1
135.04350	0.6
135.11681	0.3
137.02322	2.8
137.05954	0.6
141.06989	0.4
143.08531	0.2
145.06450	0.4
145.10121	0.5
147.04407	1.7
147.11639	0.5
149.02257	0.2
151.03865	0.2
153.01807	11.4
155.06044	0.2
157.06448	1.3
157.10110	0.4
158.06963	0.2
159.11681	0.5
160.05130	0.2
161.05943	0.6
161.13274	0.3
163.03906	0.2
163.14713	0.2
164.07082	0.2
165.01793	3.2
165.06970	0.3
169.06418	0.3
171.04364	0.8
171.11589	0.2
173.13289	0.3
175.03932	0.3
175.07477	0.2
175.11209	0.3
177.05394	0.3
183.02847	1.8
185.05931	1.5
185.13239	0.5
188.04773	0.4
189.05431	0.4
191.07092	0.3
195.08015	0.3
197.05998	0.4
197.09506	0.2
199.03731	0.2
199.14781	0.3
201.05453	0.4
201.16463	0.3
203.07072	0.5
212.04587	0.3
213.05435	3.7
213.08797	0.2
216.04047	1.0
227.03392	0.2
227.07085	0.2
229.04929	0.5
231.06480	2.0
241.04913	1.6
241.08549	0.4
243.06479	0.3
244.03781	0.4
245.04596	0.3
258.05212	2.1
259.05945	1.3
269.04413	0.6
269.12784	0.4
269.15469	0.2
269.22522	0.2
287.05460	100.0
287.23660	1.2
288.05829	3.3
305.11209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0906
Annotation	Vestitone
Peak:m/z	Relative Intensity
52.35949	0.6
55.01859	0.8
56.47530	0.6
57.07047	0.7
63.00041	0.6
65.03926	2.2
67.05500	1.6
68.99438	0.8
68.99777	3.5
69.03452	0.9
69.07048	1.2
72.49549	0.7
79.05480	3.2
80.63464	0.7
81.03407	1.2
81.07037	3.0
91.05466	3.3
93.07027	2.1
95.04959	2.5
95.08585	2.4
97.06512	2.0
103.05415	0.9
105.03357	1.2
105.07029	2.4
107.04939	27.6
107.05670	1.4
107.08600	1.6
107.45007	0.7
109.02872	1.6
109.06489	2.4
109.10168	0.8
110.03651	2.1
111.00726	0.7
111.04447	5.8
115.05502	0.9
118.04179	0.7
119.04910	0.7
119.08580	1.1
119.97345	0.7
121.02859	6.3
121.06494	7.8
121.10110	1.3
123.04423	1.3
125.05970	9.4
128.06267	0.7
131.08554	1.0
133.06479	1.9
133.10109	0.9
134.03668	0.8
135.04395	32.0
137.02324	12.2
137.05957	16.4
139.03899	2.0
141.07053	0.9
145.06442	1.3
145.10123	2.1
147.04417	2.1
147.11629	1.7
149.05962	12.0
149.09636	0.7
150.06802	0.8
151.03900	1.6
153.01828	11.1
153.05443	22.6
157.06487	2.1
157.10141	1.2
159.11633	0.8
161.05933	2.0
163.03882	45.9
165.01816	2.8
169.06451	1.2
170.07224	1.2
171.04440	1.1
171.07977	1.1
177.05450	11.0
181.06413	2.5
183.02823	1.5
183.08012	0.7
184.05133	1.3
185.05968	2.0
185.09509	0.9
191.06970	0.9
195.08067	1.3
197.05997	3.1
198.06747	3.0
199.07593	1.5
207.38858	0.7
209.05978	0.9
212.04715	1.6
213.05444	4.1
213.09009	7.0
216.04167	1.8
223.07523	1.2
226.06282	6.5
227.03386	1.3
227.06830	1.1
230.11270	1.0
231.06532	3.1
237.05408	1.2
238.06099	0.9
241.04901	1.7
241.08609	3.7
254.05661	5.6
258.05185	2.2
259.05994	2.0
259.09622	6.5
269.08051	35.4
270.08463	1.1
287.05490	100.0
287.09091	45.9
287.12320	2.7
287.23672	3.1
288.05838	2.9
288.09430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	0.5
55.05496	0.5
65.03922	0.8
67.01869	0.4
67.05488	0.7
68.99786	2.0
69.03408	0.7
69.07057	0.6
71.63585	0.4
73.00605	0.2
79.05483	1.8
81.03403	0.7
81.07050	0.8
83.01328	0.3
91.05484	1.2
92.12226	0.2
93.07034	0.8
94.04198	0.3
95.01302	0.2
95.04951	1.0
95.08598	0.6
97.06510	0.6
98.98449	0.3
103.05480	0.7
105.03381	1.1
105.07008	1.2
107.04941	5.5
107.08588	0.8
109.02865	1.0
109.06510	0.5
109.10148	0.4
110.03664	0.4
111.00793	1.8
111.04418	1.2
115.05450	0.6
117.07026	0.2
119.04952	0.4
119.08554	0.7
120.35591	0.3
121.02853	6.8
121.06487	1.5
121.10159	0.4
123.04415	1.0
123.11661	0.3
125.05958	1.5
128.06161	0.3
129.06976	0.7
131.04877	0.3
131.08536	0.7
133.02803	0.6
133.06479	0.5
133.10138	0.6
135.04391	5.8
135.11642	0.4
137.02318	4.6
137.05957	3.6
138.03038	0.3
139.03911	0.5
143.08513	0.5
145.06468	0.9
145.10117	0.7
147.04350	1.9
147.11678	0.5
149.02269	0.3
149.05971	2.3
151.03923	0.4
151.07483	0.4
153.01808	9.7
153.05449	5.3
153.06750	0.3
157.06432	1.5
157.10052	0.4
159.11681	0.6
160.05325	0.3
161.05884	1.2
161.13182	0.3
163.03889	9.2
165.01816	3.1
169.06384	0.4
171.04378	0.8
171.11679	0.3
172.00877	0.3
173.13287	0.4
175.07518	0.3
175.11115	0.4
176.08296	0.6
177.05508	2.3
181.06451	0.4
182.07286	0.3
183.02863	1.6
185.05946	1.8
185.09602	0.4
189.05432	0.7
191.07004	0.6
195.08029	0.4
197.05995	0.8
198.06723	0.6
199.07465	0.3
200.95250	0.2
201.05666	0.3
203.07031	0.6
209.06033	0.4
213.05403	3.7
213.07054	0.3
213.08801	1.2
216.04088	0.6
217.04927	0.4
226.06244	1.1
227.06914	0.7
229.04988	0.5
231.06458	1.8
241.04904	2.0
241.08562	1.2
254.05779	0.9
258.05267	2.1
259.06070	1.6
259.09412	1.3
269.04556	0.7
269.08044	6.7
269.22556	0.4
287.05484	100.0
287.08951	9.0
287.20044	0.6
287.23633	1.0
288.05795	3.3
300.02567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.45693	0.2
53.03941	0.2
59.04983	0.3
63.00033	0.3
65.03928	0.4
67.01851	0.5
67.05489	0.5
68.99790	2.2
69.07027	0.3
69.28895	0.2
69.95378	1.4
79.05479	0.6
81.03389	0.4
81.07049	0.5
91.05470	1.0
93.07016	0.8
95.04939	0.6
95.08596	0.5
98.98455	0.3
105.03382	0.9
105.07012	1.3
107.04946	0.9
107.08563	0.9
109.02859	0.6
111.00790	1.3
111.04416	0.6
117.07021	0.6
119.08575	0.4
120.89571	0.2
121.02855	6.5
121.03777	0.3
129.06989	0.6
129.35323	0.2
131.08549	0.9
133.02818	0.8
135.04401	0.3
137.02327	2.1
141.06880	0.3
145.06419	0.6
145.10088	0.4
147.04396	1.6
149.84021	0.3
153.01808	10.5
157.06453	1.5
157.10101	0.4
159.11685	0.2
161.05968	0.5
165.01819	3.2
169.06532	0.2
171.04373	0.7
171.11607	0.3
173.13193	0.5
175.03883	0.3
183.02800	1.7
185.05951	1.2
187.14995	0.2
189.05420	0.3
194.02179	0.3
197.06018	0.3
211.14635	0.3
213.05437	3.0
229.04901	0.6
230.24731	0.3
231.06612	1.2
231.31740	0.3
237.16217	0.3
241.04929	1.7
258.05222	2.4
259.05927	0.8
269.04581	0.3
269.18741	0.4
286.30850	1.2
287.05460	100.0
287.19946	2.4
288.05737	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.36663	0.2
53.03918	0.2
53.20349	0.2
55.01851	0.3
63.44904	0.2
65.03938	1.1
66.86790	0.2
67.05493	0.5
68.99770	0.9
69.77896	1.3
79.63811	0.2
79.89064	0.2
81.03403	1.0
90.19263	0.2
93.03419	1.0
95.04942	1.1
98.20818	0.3
107.04923	0.3
109.02843	0.5
111.04411	0.7
115.05414	0.3
118.06518	1.2
119.07264	0.2
121.02848	5.4
123.04379	1.2
127.03880	0.2
128.06197	0.4
129.06978	0.6
133.02823	0.2
137.02327	16.1
137.03313	0.6
139.05396	0.6
141.06950	0.5
145.06430	0.4
146.05992	0.3
147.04366	0.4
147.06778	0.3
148.07527	0.3
149.02318	4.4
150.03079	0.4
157.06462	2.6
160.05176	0.2
161.05971	0.4
163.03859	0.8
167.03377	0.9
167.04802	0.2
167.07030	0.2
171.04366	0.3
175.07520	0.7
179.03380	0.5
185.05949	5.9
185.07600	0.3
189.05441	0.6
195.05649	0.3
195.99191	0.2
197.05940	0.4
203.06990	1.1
212.04642	0.3
213.05435	10.6
216.04181	0.3
217.04921	0.3
223.03879	0.8
229.04890	0.3
230.05620	0.3
231.06465	2.6
241.04924	5.1
241.08661	0.4
242.05600	0.2
242.11671	0.3
243.14935	0.5
258.05249	1.2
259.05936	0.6
269.04419	1.9
269.12689	0.3
270.05057	0.2
270.11270	0.3
287.05450	100.0
288.05759	2.4
294.35147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	0.5
55.05496	0.5
65.03922	0.8
67.01869	0.4
67.05488	0.7
68.99786	2.0
69.03408	0.7
69.07057	0.6
71.63585	0.4
73.00605	0.2
79.05483	1.8
81.03403	0.7
81.07050	0.8
83.01328	0.3
91.05484	1.2
92.12226	0.2
93.07034	0.8
94.04198	0.3
95.01302	0.2
95.04951	1.0
95.08598	0.6
97.06510	0.6
98.98449	0.3
103.05480	0.7
105.03381	1.1
105.07008	1.2
107.04941	5.5
107.08588	0.8
109.02865	1.0
109.06510	0.5
109.10148	0.4
110.03664	0.4
111.00793	1.8
111.04418	1.2
115.05450	0.6
117.07026	0.2
119.04952	0.4
119.08554	0.7
120.35591	0.3
121.02853	6.8
121.06487	1.5
121.10159	0.4
123.04415	1.0
123.11661	0.3
125.05958	1.5
128.06161	0.3
129.06976	0.7
131.04877	0.3
131.08536	0.7
133.02803	0.6
133.06479	0.5
133.10138	0.6
135.04391	5.8
135.11642	0.4
137.02318	4.6
137.05957	3.6
138.03038	0.3
139.03911	0.5
143.08513	0.5
145.06468	0.9
145.10117	0.7
147.04350	1.9
147.11678	0.5
149.02269	0.3
149.05971	2.3
151.03923	0.4
151.07483	0.4
153.01808	9.7
153.05449	5.3
153.06750	0.3
157.06432	1.5
157.10052	0.4
159.11681	0.6
160.05325	0.3
161.05884	1.2
161.13182	0.3
163.03889	9.2
165.01816	3.1
169.06384	0.4
171.04378	0.8
171.11679	0.3
172.00877	0.3
173.13287	0.4
175.07518	0.3
175.11115	0.4
176.08296	0.6
177.05508	2.3
181.06451	0.4
182.07286	0.3
183.02863	1.6
185.05946	1.8
185.09602	0.4
189.05432	0.7
191.07004	0.6
195.08029	0.4
197.05995	0.8
198.06723	0.6
199.07465	0.3
200.95250	0.2
201.05666	0.3
203.07031	0.6
209.06033	0.4
213.05403	3.7
213.07054	0.3
213.08801	1.2
216.04088	0.6
217.04927	0.4
226.06244	1.1
227.06914	0.7
229.04988	0.5
231.06458	1.8
241.04904	2.0
241.08562	1.2
254.05779	0.9
258.05267	2.1
259.06070	1.6
259.09412	1.3
269.04556	0.7
269.08044	6.7
269.22556	0.4
287.05484	100.0
287.08951	9.0
287.20044	0.6
287.23633	1.0
288.05795	3.3
300.02567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03942	0.1
55.01854	0.2
58.68702	0.2
61.31092	0.1
65.03931	0.4
67.01843	0.5
67.05498	0.3
68.17109	0.1
68.99425	0.2
68.99783	2.3
69.03417	0.2
69.76647	1.0
71.04977	0.2
79.05476	0.7
81.03397	0.3
81.07008	0.2
81.85933	0.2
83.91660	0.1
91.05438	0.4
93.07005	0.1
95.04949	0.5
95.08615	0.2
97.06483	0.2
103.05453	0.2
105.03383	0.9
105.07014	0.2
107.04953	1.1
107.08529	0.2
109.02856	0.8
111.00783	1.1
111.04427	0.4
115.05455	0.4
117.06994	0.3
119.04907	0.2
119.08591	0.2
121.02851	6.3
121.10023	0.2
123.04366	0.3
129.06966	0.5
132.98128	0.1
133.02840	0.6
135.04376	0.3
137.02318	2.6
138.02621	0.2
141.06961	0.2
145.06444	0.5
147.04393	1.3
149.02327	0.4
153.01810	10.4
154.02223	0.2
157.06448	1.5
157.10001	0.1
161.05981	0.5
165.01833	3.2
169.06494	0.2
171.04395	0.7
173.05873	0.2
175.03806	0.2
183.02844	1.6
185.05966	1.4
186.23531	0.1
189.05461	0.4
190.66199	0.2
197.05983	0.2
199.92784	0.1
201.49411	0.1
203.03287	0.3
203.07074	0.4
213.05441	3.7
216.04291	0.2
219.06660	0.1
227.06226	0.2
229.04898	0.5
231.06508	1.5
231.08954	0.2
241.04916	1.7
241.08588	0.2
242.05540	0.2
243.06386	0.3
245.04292	0.2
258.05203	2.1
259.06015	1.1
269.04318	0.4
287.05457	100.0
288.05786	3.3
288.08762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Kaempferol
Peak:m/z	Relative Intensity
50.96215	0.2
53.03925	0.2
55.01854	0.5
65.03941	0.3
67.01847	0.3
67.05508	0.2
68.99771	2.1
69.03403	0.2
71.01319	0.2
72.33766	0.2
73.40350	0.2
79.05474	0.3
81.03391	0.3
81.07008	0.2
89.03909	0.3
91.64018	0.2
93.06995	0.3
95.04923	0.3
105.03353	1.1
105.06992	0.3
107.04932	0.9
107.08611	0.2
109.02831	0.4
111.00779	0.8
115.05424	0.2
117.03394	0.2
117.07008	0.3
119.04861	0.2
121.01974	0.2
121.02843	3.8
121.03777	0.3
123.00774	0.2
123.04408	0.4
127.03884	0.3
129.06999	0.6
131.04906	0.4
133.02826	0.6
135.04410	0.6
137.02324	1.8
141.06960	0.4
145.06483	0.5
147.04344	0.9
149.02315	1.6
153.01805	12.1
153.05374	0.4
157.06456	1.3
161.02303	1.3
161.05879	0.5
163.03841	0.3
164.33705	0.2
165.01819	2.1
169.06451	0.3
171.04382	0.7
175.03853	0.4
175.07538	0.3
183.02826	0.9
185.05954	1.6
187.03918	0.3
189.05455	0.4
191.03369	0.5
197.05984	0.8
199.03839	0.7
203.03365	0.5
203.06982	0.9
213.05429	4.1
214.05894	0.2
216.04135	0.5
217.04897	0.6
229.04941	0.3
231.06488	3.2
240.04185	0.2
241.04910	8.1
242.05431	0.3
258.05099	1.1
259.05966	1.1
269.04425	3.1
287.05450	100.0
288.05746	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03942	0.2
55.01853	0.2
63.02730	0.1
65.03935	0.4
67.01848	0.3
67.05495	0.1
67.19120	0.1
68.99780	2.2
69.03410	0.2
69.36916	0.7
71.01314	0.1
79.05482	0.5
81.03409	0.4
81.07064	0.2
91.05463	0.2
94.04173	0.1
95.04948	0.4
97.02879	0.1
103.05444	0.2
105.03374	0.9
105.07005	0.1
107.04932	1.0
109.02862	0.7
111.00786	1.5
111.04427	0.6
115.05445	0.3
117.07037	0.1
119.04906	0.2
121.02848	6.7
121.03893	0.3
122.03166	0.1
123.04407	0.1
123.64559	0.1
127.03906	0.2
128.06212	0.2
129.06984	0.3
130.87030	0.1
131.04897	0.1
133.02835	0.9
133.06494	0.1
135.04393	0.3
136.07524	0.1
137.02310	2.6
137.03355	0.1
139.05403	0.1
141.06985	0.3
142.46854	0.1
143.04906	0.1
145.02730	0.1
145.06483	0.7
147.04381	1.7
148.72624	0.1
149.02333	0.2
151.03923	0.1
153.01805	10.5
154.02104	0.1
157.06454	1.5
161.05963	0.5
163.03857	0.2
164.07011	0.2
165.01826	3.1
165.07210	0.1
166.02606	0.1
167.08458	0.2
169.06459	0.2
171.02905	0.1
171.04362	0.6
173.05902	0.1
175.03877	0.2
175.07539	0.1
183.02861	1.7
184.05167	0.1
185.05946	1.3
189.05447	0.3
194.02115	0.1
195.08000	0.1
197.05957	0.4
199.03857	0.2
201.05414	0.2
203.03461	0.2
203.07011	0.4
212.04596	0.1
213.05437	3.4
214.05904	0.1
216.04140	0.1
217.05002	0.1
223.03951	0.1
229.04877	0.4
231.06502	1.3
241.04897	1.6
241.08559	1.1
242.05452	0.1
243.06432	0.2
245.04364	0.1
258.05222	2.5
259.05942	0.9
269.04367	0.5
269.08026	0.2
287.05450	100.0
288.05795	3.8
288.09064	0.2
297.55615	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01867	0.1
56.34107	0.1
58.96513	0.1
65.03928	0.3
67.01834	0.3
68.99780	2.2
69.03425	0.2
79.05476	0.4
81.03399	0.4
81.07050	0.2
89.03928	0.3
91.05434	0.2
93.07017	0.2
95.01302	0.2
95.04940	0.5
97.02869	0.3
97.06533	0.2
97.74980	0.1
103.05463	0.3
105.03400	0.8
107.04945	1.1
109.02853	0.7
111.00791	1.5
111.04446	0.4
115.05447	0.4
117.06962	0.1
121.02850	5.7
121.03781	0.3
123.00713	0.2
123.04408	0.4
127.03855	0.2
128.06160	0.2
129.06966	0.5
131.04929	0.2
133.02820	0.8
135.04407	0.3
137.02316	2.5
137.05978	0.2
141.06932	0.4
143.04912	0.2
145.06490	0.7
147.04375	1.2
149.02309	0.9
153.01805	10.7
153.05417	0.2
154.02055	0.2
157.06470	1.9
161.02367	0.4
161.05948	0.7
163.03905	0.2
165.01810	2.8
169.06476	0.3
171.04401	0.8
172.27489	0.1
175.03938	0.4
175.07590	0.2
183.02927	1.0
185.05931	1.6
189.05406	0.4
191.03355	0.2
191.06772	0.2
197.05910	0.4
199.03918	0.4
199.07468	0.1
201.05443	0.2
203.03461	0.3
203.07086	0.7
212.04594	0.2
213.05446	4.1
213.08621	0.2
216.04146	0.4
217.04956	0.3
217.08478	0.2
229.04881	0.3
229.20126	0.1
231.06500	2.1
241.04933	3.5
241.07649	0.2
241.08592	0.3
258.05215	2.1
258.09952	0.2
259.05927	1.1
269.04407	1.5
269.07718	0.3
269.12845	0.2
270.05054	0.2
287.05460	100.0
288.05789	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
60.34869	0.3
65.03932	0.4
68.99789	1.1
69.03372	0.4
69.72121	2.2
69.72530	0.6
81.03404	2.2
88.40140	0.3
91.05450	0.6
99.69064	0.3
104.26375	0.3
105.03378	0.7
107.04925	0.4
109.02866	0.5
121.02847	2.4
121.83402	0.3
123.04409	1.1
125.02374	0.4
127.03901	0.4
128.06189	0.6
129.06973	0.8
130.14606	0.3
131.04895	0.3
133.06509	0.5
135.04387	0.4
137.02315	18.8
137.05949	1.2
138.02650	0.4
139.05373	0.4
141.06956	1.1
147.04378	2.4
149.02347	1.7
150.03136	0.5
153.01814	0.5
153.05493	0.4
157.06483	3.6
161.05969	0.9
163.03879	0.9
169.06448	0.8
171.04398	0.8
175.03891	1.5
175.07570	0.3
177.01836	2.2
185.05910	2.1
187.03958	0.5
189.05437	24.1
190.05806	0.5
193.04951	1.8
197.05962	3.7
199.03862	0.8
201.05434	0.5
203.06966	0.8
203.25111	0.4
207.02722	0.5
213.05438	19.1
214.05844	0.6
217.04916	2.1
220.73035	0.3
222.78462	0.3
225.05421	0.8
226.06291	0.3
227.03596	0.4
228.08009	0.4
231.06461	2.8
241.04904	10.5
241.08432	1.5
242.05244	0.4
258.05264	0.4
259.06000	1.2
269.04416	5.9
270.04773	0.4
287.05460	100.0
288.05786	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.21775	0.2
54.63745	0.2
55.01848	0.3
55.19272	0.2
58.79190	0.2
63.80019	0.2
65.03931	1.1
68.99768	0.9
70.20135	0.3
70.67075	0.3
71.17599	0.5
81.03399	1.0
86.21987	0.3
93.03391	1.0
95.04948	0.8
95.73933	0.2
109.02870	0.7
111.04421	0.7
115.43539	0.2
118.21080	0.2
121.02850	5.0
123.04401	0.8
128.06200	0.4
129.06955	0.8
133.48788	0.3
135.07968	0.3
137.02318	14.5
139.05397	0.8
141.06946	0.4
143.04800	0.2
145.06450	0.2
149.02315	4.6
150.03043	0.5
157.06473	2.5
160.05090	0.3
161.05972	0.3
163.03851	0.8
167.03406	0.8
169.06432	0.3
175.07565	0.4
177.01744	0.3
179.03351	0.4
185.05948	5.6
189.05499	0.4
191.03275	0.3
197.05916	0.4
199.03850	0.3
203.06982	0.6
212.04744	0.4
213.05435	9.7
214.05669	0.2
216.03946	0.3
217.04845	0.3
223.03979	0.5
231.06461	2.1
241.04913	4.2
242.05640	0.3
258.05151	1.0
259.05988	0.7
269.04379	1.6
287.05453	100.0
288.05795	3.9
300.43915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03923	0.4
67.01849	0.4
68.99445	0.3
68.99782	2.2
69.30566	1.6
69.30980	0.7
79.05473	0.6
88.33749	0.2
95.04935	0.4
98.20732	0.3
105.03371	1.0
105.45110	0.2
107.04946	1.1
109.02850	0.8
111.00805	1.3
111.04433	0.3
115.05408	0.3
121.02853	5.9
121.03814	0.4
127.03876	0.3
129.07016	0.2
133.02852	1.2
135.04372	0.3
137.02341	1.9
141.06964	0.2
145.06461	0.5
147.04416	1.1
153.01807	8.8
154.02196	0.2
157.06500	1.1
161.05963	0.3
165.01830	3.5
171.04405	0.8
183.02863	1.4
185.05934	1.1
189.05469	0.4
195.01424	0.2
197.05925	0.3
213.05421	2.7
229.04895	0.3
231.06499	1.4
241.04868	1.1
258.05237	1.7
259.06024	0.6
261.54916	0.2
287.05460	100.0
288.05823	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	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13126	0.1
53.03923	0.2
55.01854	0.1
65.03929	0.5
67.01849	0.4
68.99780	3.0
69.03413	0.3
69.32323	0.7
69.32747	0.5
69.67489	0.1
71.01324	0.1
77.03929	0.1
79.05489	0.6
81.03406	0.4
91.05463	0.2
95.04953	0.3
103.05447	0.2
105.03373	1.2
107.04935	1.3
109.02870	1.0
111.00787	1.8
111.04422	0.4
115.05429	0.3
117.07000	0.2
119.04943	0.1
119.08531	0.1
121.02847	8.2
122.03175	0.1
127.03912	0.4
128.06184	0.2
129.06958	0.4
131.04974	0.1
133.02840	1.0
135.04387	0.5
137.02319	2.5
139.05447	0.2
141.06987	0.5
143.04939	0.1
145.02835	0.1
145.06467	0.6
147.04379	1.5
151.03844	0.1
152.93454	0.1
153.01802	12.7
154.02161	0.2
157.06474	1.7
161.05963	0.5
163.03760	0.1
165.01814	3.9
166.02232	0.1
169.06439	0.3
171.02910	0.2
171.04344	0.8
173.05978	0.1
175.03850	0.2
175.07529	0.1
183.02870	1.8
184.05423	0.1
185.05959	1.3
188.04747	0.1
189.05450	0.4
191.03247	0.1
194.02060	0.2
197.05936	0.3
199.03909	0.2
201.05431	0.2
203.03351	0.3
203.07010	0.3
212.04523	0.2
213.05443	3.5
214.05721	0.1
216.04105	0.2
217.04916	0.2
229.04872	0.6
231.06450	1.5
241.04929	1.7
241.08601	0.2
242.05736	0.1
243.06522	0.2
244.03685	0.1
257.04462	0.2
258.05197	2.5
259.05942	1.0
269.04364	0.4
287.05444	100.0
288.05774	3.2
288.09009	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.6
67.01841	0.5
68.99453	0.3
68.99786	2.3
69.97104	0.5
69.97513	0.7
78.55273	0.2
79.05478	0.7
81.03412	0.5
81.07058	0.3
93.29507	0.2
95.04941	0.4
97.02883	0.3
105.03368	0.9
107.04939	0.9
109.02869	0.9
111.00793	1.5
111.04438	0.3
115.05393	0.3
119.04910	0.2
121.02843	6.3
127.03852	0.2
128.06166	0.2
129.07004	0.4
133.02820	0.9
133.10133	0.3
135.04376	0.2
136.02184	0.2
137.02347	2.4
138.24043	0.2
141.06984	0.2
145.06465	0.7
147.04370	1.3
153.01811	10.4
153.03087	0.5
157.06450	1.4
161.02333	0.2
161.05951	0.6
165.01814	3.5
169.06468	0.3
171.03059	0.3
171.04422	0.8
183.02856	1.6
185.05933	1.6
189.05533	0.4
189.07298	0.2
197.05898	0.3
198.22710	0.3
201.05414	0.2
203.03362	0.3
213.05469	3.5
216.04178	0.4
228.07686	0.2
229.04895	0.4
231.06464	1.5
241.04919	1.8
241.08586	1.7
242.70924	0.2
258.05252	1.7
259.06067	1.2
269.04459	0.5
287.05463	100.0
288.05811	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03931	0.3
55.01857	0.2
55.43656	0.1
57.54237	0.2
65.03918	0.5
67.01846	0.5
68.99784	2.7
69.03392	0.2
70.06578	0.2
70.78515	0.4
79.05467	0.5
81.03387	0.3
81.88898	0.2
91.05466	0.3
94.06582	0.2
95.04947	0.4
103.05447	0.5
105.03388	1.0
107.04928	1.4
107.37048	0.1
109.02836	0.7
111.00801	1.6
111.04431	0.5
115.05437	0.3
117.06944	0.2
118.06554	0.3
119.04952	0.2
119.08575	0.2
121.02850	7.7
121.03800	0.3
121.06448	0.2
122.06052	0.2
123.04417	0.2
124.07564	0.3
127.03917	0.5
128.06207	0.2
129.06990	0.3
131.04959	0.2
133.02852	1.0
135.04379	0.6
136.07541	0.2
137.02322	2.4
137.05876	0.2
139.05318	0.2
145.06477	0.7
147.04402	1.6
149.02313	0.7
149.05930	0.2
153.01804	10.5
157.06473	1.7
161.05916	0.4
162.08904	0.2
163.03850	0.3
165.01799	3.4
167.04953	0.2
169.06467	0.3
171.02982	0.2
171.04391	0.6
183.02829	1.8
185.05954	1.5
189.05463	0.6
197.05954	0.5
201.05444	0.2
203.03365	0.4
203.06993	0.3
213.05450	3.7
216.04295	0.2
217.04909	0.2
229.04922	0.5
231.06511	1.9
241.04912	2.0
241.08569	0.3
242.05493	0.2
243.06476	0.3
245.04387	0.2
249.73158	0.2
257.04428	0.2
258.05200	2.4
259.06058	1.4
269.04282	0.4
270.11255	0.2
287.05457	100.0
288.05750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01853	0.2
65.03926	0.5
67.01860	0.4
67.05492	0.2
68.99780	2.6
69.03419	0.3
69.07055	0.2
69.27107	0.4
69.27520	1.7
79.05469	0.7
81.03403	0.2
81.07043	0.3
91.05476	0.4
95.04948	0.6
97.06467	0.2
103.05470	0.2
105.03386	1.2
105.06992	0.2
107.04934	1.7
107.08586	0.2
109.02849	0.7
111.00792	1.6
111.04436	0.6
115.05434	0.3
117.07014	0.3
119.04867	0.3
121.02853	7.5
121.03828	0.2
123.04411	0.3
127.03947	0.4
128.06248	0.2
129.07010	0.6
131.04909	0.2
133.02843	0.9
135.04384	0.5
137.02327	2.9
138.60381	0.2
141.06946	0.3
145.06447	0.8
147.04379	1.7
151.03888	0.3
153.01805	11.6
154.02194	0.3
157.06438	1.5
161.06001	0.6
163.03903	0.4
165.01816	3.5
171.02997	0.3
171.04376	0.7
173.05954	0.2
175.03867	0.3
175.07516	0.2
183.02861	1.9
185.05966	1.4
189.05405	0.3
197.05963	0.4
199.03920	0.3
203.03406	0.2
203.07079	0.2
212.04674	0.2
213.05458	3.5
214.05933	0.2
216.04195	0.2
217.04852	0.2
229.04927	0.5
231.06474	1.5
241.04900	2.0
241.08627	0.3
243.06519	0.2
245.04469	0.2
258.05203	2.3
259.05951	1.1
269.04395	0.5
271.04999	0.3
287.05460	100.0
288.05798	4.2
288.08685	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	286.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05496	4.0
56.05019	2.5
56.96559	25.8
57.03418	6.1
59.05003	3.6
61.02911	5.8
63.00034	1.6
68.05024	2.0
69.03430	13.8
70.06225	3.0
70.06584	53.3
71.04977	6.1
72.08128	5.7
73.02882	4.6
73.32597	1.4
79.05504	2.7
80.04999	2.5
81.03392	6.8
81.07058	11.7
82.05308	1.7
82.06580	1.8
83.04964	2.5
83.06084	10.7
84.04469	3.3
84.08122	6.5
84.96006	2.2
85.02888	16.2
86.06046	2.5
87.04452	4.8
89.74080	1.8
91.05460	5.1
93.04508	6.6
95.06069	15.0
96.04468	3.0
97.02887	12.5
97.96801	1.7
98.06020	2.4
98.20762	4.6
98.21429	2.8
98.97571	13.7
100.03943	3.0
106.02853	1.9
107.04922	4.1
109.02872	5.3
110.07152	100.0
111.05534	2.1
112.07593	32.2
112.08714	3.8
114.05537	2.5
115.03963	2.0
116.07061	6.3
116.98605	11.3
119.01852	3.3
119.04918	6.3
121.07664	2.1
123.04381	2.2
124.03942	51.9
124.07585	8.2
125.04187	6.1
127.03880	5.0
128.98526	3.7
129.06543	1.8
130.08606	3.6
131.00121	1.7
133.06528	2.0
134.99637	4.7
135.04378	1.7
137.05984	9.9
137.06961	2.2
138.05453	2.4
139.03918	1.6
140.00084	1.8
140.07051	17.3
143.00154	2.8
146.99635	5.3
147.04379	17.1
149.01195	3.6
155.99744	1.9
156.03307	1.6
156.07661	16.0
158.01297	1.6
158.99652	3.6
159.01189	1.4
161.01216	4.9
163.12286	42.5
164.08208	3.0
166.06120	2.1
174.04321	7.1
176.05139	1.6
176.07712	1.7
177.00699	5.2
177.04152	1.6
177.05699	1.6
182.05156	1.8
185.09190	21.9
186.04340	10.3
189.00659	2.8
190.13382	7.0
197.12837	1.7
199.07373	2.1
204.05421	9.6
205.03615	1.7
207.05211	1.8
208.14532	8.4
210.08801	2.6
213.05502	5.1
215.02258	1.8
219.01723	4.4
223.07442	2.1
227.06973	2.0
231.06491	5.9
236.13887	6.2
237.02774	4.1
240.10097	1.6
240.17049	8.1
241.08539	1.9
246.08554	1.6
254.14989	17.8
262.08267	7.6
269.05255	2.0
276.07489	3.9
281.00217	1.5
286.09070	6.3
286.14258	6.0
286.17578	58.7
287.05566	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	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
55.05485	0.6
56.96549	1.2
57.03411	0.7
60.38334	0.5
61.02920	0.5
67.05490	0.7
69.03410	2.0
69.07059	0.4
69.18440	0.4
70.06577	2.9
70.46920	1.1
70.47326	1.1
71.04976	0.5
72.08158	2.5
73.02925	0.5
75.04440	0.5
78.03433	1.5
79.05476	0.4
80.04998	4.0
81.03394	1.4
82.06576	0.7
84.08129	0.7
85.02891	4.5
85.77892	0.5
86.09704	1.1
91.05480	0.6
95.04937	0.4
96.04486	3.1
96.08136	0.7
97.02891	1.1
98.21570	0.5
99.04459	1.1
101.05945	0.5
106.02899	14.2
106.07314	0.4
107.04974	0.8
109.02888	2.3
110.93631	0.4
111.04510	0.4
115.99365	0.5
116.07047	3.8
120.86761	0.4
124.03937	100.0
125.04282	0.6
127.03895	2.3
129.06642	0.4
132.78497	0.5
135.04378	1.0
138.05428	0.5
143.11794	0.8
147.04370	1.1
151.04001	0.6
165.05496	0.4
175.04454	1.1
184.04930	0.7
185.09215	2.2
237.02895	0.5
250.07077	4.5
263.06848	0.5
268.08179	2.7
286.09222	35.2
287.05508	0.8
287.09198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60036	0.3
53.03923	0.5
53.57546	0.3
54.25371	0.3
56.05008	0.5
56.96545	1.5
57.03418	0.5
59.04992	0.4
61.02914	0.5
67.05511	0.5
68.05018	0.4
68.56989	0.3
69.03411	2.0
70.06583	4.3
71.04989	0.4
71.29684	0.8
71.30038	0.4
72.08166	0.6
73.02883	0.5
73.85406	0.3
74.97590	0.4
75.04475	0.3
78.03445	1.1
80.05009	3.3
80.25825	0.4
81.03401	1.6
81.13012	0.4
82.06594	0.6
84.04476	0.7
84.08137	2.2
84.10855	0.4
85.02886	3.9
86.09690	1.3
87.04446	0.8
88.03947	0.4
91.05476	0.6
94.02915	1.0
95.04958	0.7
96.04470	2.8
97.02876	1.7
98.97572	1.0
98.98450	0.3
99.04449	0.7
100.07597	0.4
106.02901	6.6
107.04929	0.9
107.70483	0.3
109.02856	1.2
116.07069	1.6
116.98619	0.6
119.04936	0.7
123.04409	0.9
124.03933	100.0
125.04238	0.9
127.03909	1.1
128.07068	0.4
129.46875	0.3
130.08681	0.6
134.80835	0.4
134.99651	0.6
140.03378	0.5
141.10152	0.5
143.00113	0.4
146.99615	0.4
147.04410	1.3
158.99634	0.4
185.09172	3.5
194.12907	0.5
215.13908	0.6
217.03482	0.5
223.07553	0.9
240.10115	0.5
240.13466	0.5
250.06995	2.3
254.08916	0.6
268.07999	0.6
276.07520	0.5
286.09180	28.7
286.18372	0.7
287.09512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
65.03933	3.8
66.04236	0.2
68.99782	0.9
69.80672	0.7
69.81078	0.7
79.05463	0.3
81.03432	0.2
93.03382	1.6
93.07015	0.3
94.57388	0.2
98.03653	0.3
103.05456	1.4
107.04950	0.8
109.02871	0.3
111.00788	0.5
111.04426	0.9
119.02310	0.2
120.08089	38.6
121.02850	100.0
121.08397	0.6
122.03150	1.7
124.03910	0.8
131.04926	0.7
133.02914	0.3
137.02318	2.1
147.04364	0.5
149.02383	0.4
149.06030	0.6
153.01823	2.9
157.06450	0.9
165.01781	0.7
166.08609	15.4
183.02933	0.6
185.05951	0.8
203.07114	0.3
213.05469	2.1
216.04309	0.3
231.06485	0.6
240.10150	3.9
241.04921	0.8
258.05286	1.2
259.05994	0.6
269.04370	0.3
286.07767	0.4
286.10632	0.7
287.05460	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2208
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03941	7.1
55.05492	20.2
65.29596	7.3
67.05491	28.1
67.89314	7.1
69.07060	47.3
70.04998	23.2
70.05417	13.0
74.09961	6.3
79.05466	22.3
81.07058	49.9
83.08602	13.1
91.05480	27.6
93.07040	35.5
95.04950	18.3
95.08602	33.0
97.06505	22.1
105.07016	67.1
106.00671	7.6
107.08575	39.2
109.06498	29.0
109.10143	30.2
111.08064	14.3
111.21965	7.3
115.45591	7.4
117.07011	11.3
119.08586	100.0
121.06468	14.3
121.10118	34.7
123.11705	20.9
131.04875	8.9
131.08580	19.1
133.10114	48.9
135.08096	15.6
135.11607	16.8
137.02338	11.3
143.08470	12.4
145.10089	28.3
146.07240	14.7
147.11656	30.4
155.08473	9.2
157.10089	9.4
159.11673	15.7
161.09579	87.4
161.13245	12.5
171.11659	10.6
173.13277	12.2
175.14793	62.9
177.16295	12.3
181.04907	14.7
185.13281	15.0
187.14703	8.7
193.15852	11.1
197.13284	17.0
211.14717	9.5
225.05489	14.3
253.04819	11.8
270.05286	12.1
285.07538	75.4
285.10764	9.7
285.17505	7.3
285.21991	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	285.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74907	2.5
53.03933	5.0
54.40171	2.6
55.01872	2.6
55.05506	22.3
57.03424	22.6
57.07057	7.7
59.28803	2.6
59.64658	2.8
60.29451	2.8
63.00012	6.9
65.03922	3.7
67.05204	3.0
67.05491	38.5
69.03419	6.0
69.07059	15.5
70.06556	3.7
71.04967	11.9
71.59324	4.8
76.56004	2.7
79.05482	30.5
81.03411	35.8
81.07043	52.6
83.04942	7.9
83.08607	23.8
85.02878	22.2
85.06507	5.3
87.04485	2.8
88.07615	4.2
88.75524	2.6
91.05014	3.8
91.05470	36.2
93.07030	37.8
95.04953	20.3
95.08585	30.5
97.02888	3.2
97.06496	12.1
97.10139	2.8
99.08080	3.4
104.83175	2.8
105.07008	46.5
107.04923	5.9
107.08565	33.6
109.06495	8.7
109.10139	16.8
111.04387	5.8
111.08057	6.5
111.56344	3.6
116.32518	2.6
117.06989	10.4
118.04144	3.4
119.08564	49.7
121.06463	3.2
121.10118	44.4
123.08042	4.8
123.11674	11.3
128.06206	3.2
129.06984	9.3
131.08548	28.3
133.06451	3.1
133.10112	18.5
135.08044	9.5
135.11646	7.7
136.24077	2.8
137.02304	12.8
137.05954	6.7
142.07744	7.9
143.08508	18.6
144.09238	3.5
145.10094	29.6
147.08037	5.4
147.11667	36.3
149.02249	3.5
149.09586	8.2
155.08556	6.6
156.09328	4.9
157.10086	29.2
159.08018	5.6
159.11668	23.5
161.09612	5.3
163.11128	8.2
165.12717	15.6
167.08528	3.7
168.09279	3.2
169.10106	11.2
170.10863	2.9
171.08015	3.6
171.11679	16.2
173.09579	6.5
173.13264	17.5
175.11116	14.0
177.09131	3.4
181.04929	10.6
181.10104	7.1
182.10857	4.5
183.11644	11.6
185.09389	3.1
185.13228	6.2
186.13892	4.6
187.11130	8.6
187.14812	8.4
191.10609	5.2
193.12212	34.7
194.12497	3.6
196.12384	4.4
197.09494	4.3
197.13173	14.0
199.14774	21.8
201.12729	6.7
209.13257	6.0
210.13977	3.2
211.11255	7.2
211.13243	18.5
211.14917	3.1
213.05501	7.3
213.16356	4.2
214.17288	2.9
215.10658	4.7
215.17876	5.2
223.14752	3.9
225.05379	8.9
225.12634	4.4
225.16507	6.4
227.14355	5.9
227.71890	3.3
229.08578	5.7
229.12134	5.7
239.17995	9.3
241.19234	3.0
242.05635	4.6
243.14008	3.5
243.17381	5.5
253.04932	8.8
253.08511	3.4
257.18924	10.2
267.17654	13.7
269.04391	4.5
270.05109	14.0
285.04437	3.6
285.07544	100.0
285.10956	7.9
285.18829	68.1
285.21942	6.9
285.29648	17.3
286.07889	5.7
286.19116	5.3
286.30939	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01863	1.6
55.05508	16.6
57.03431	21.3
65.03954	1.3
67.05500	32.6
69.07061	19.7
71.04989	5.6
79.05488	20.4
81.07047	100.0
83.04950	7.9
83.08614	8.9
85.06522	6.6
91.05467	26.1
93.07033	13.5
95.04974	3.4
95.08601	22.7
97.06522	9.2
99.08068	5.3
105.07029	34.7
107.08584	11.9
109.06509	5.9
111.08086	2.0
113.70945	1.4
119.08557	25.7
121.10133	21.2
123.08060	4.1
123.10876	2.4
123.11706	27.1
127.07513	2.8
129.07011	2.2
131.08539	1.9
133.10136	3.4
137.02322	1.5
137.13257	3.3
141.09151	2.3
141.30013	1.5
145.10129	3.2
147.11665	73.9
151.51482	1.5
157.10130	5.8
165.12744	37.1
175.11157	2.1
181.04932	3.0
183.13794	3.1
191.94008	1.6
193.12347	2.1
213.05400	1.5
229.14352	4.9
267.15997	2.7
270.05298	2.1
285.04553	2.7
285.07578	14.8
285.16824	40.4
285.21603	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05504	13.7
57.03430	19.2
57.07077	1.3
65.71292	1.0
67.05151	1.8
67.05494	30.0
69.03410	1.7
69.07059	17.8
71.04986	5.9
79.05483	17.3
81.03418	1.6
81.07044	100.0
83.04530	1.2
83.04949	8.1
83.08608	8.8
85.06545	5.4
91.05471	25.1
93.07041	13.0
95.04943	2.2
95.08591	20.2
96.22430	1.3
97.06527	5.9
97.10110	1.7
99.08071	4.0
105.07011	34.6
107.08563	10.6
109.06488	5.2
109.10132	2.6
111.08018	2.1
113.06000	2.8
119.08566	28.9
121.10107	20.6
123.08048	4.4
123.11686	27.5
127.07504	3.0
128.06152	1.1
129.06982	1.5
131.08556	1.3
133.06445	1.8
133.10080	3.9
134.35472	1.2
135.04512	1.2
137.02307	2.0
137.09628	1.2
137.13255	2.7
140.42409	1.4
142.07764	1.3
145.10069	1.6
147.11665	71.7
157.10129	4.0
160.30339	1.1
165.12732	38.9
175.11130	3.1
179.15086	1.1
181.04889	2.2
183.13809	3.0
193.12248	3.1
229.14339	5.5
229.39655	1.3
253.04955	3.0
267.15817	3.0
267.70297	1.3
270.05115	2.3
285.07556	18.0
285.16882	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09815	1.7
53.03940	2.7
55.05508	21.0
57.03431	24.3
63.00029	2.6
67.05499	36.4
69.07051	17.3
71.04974	7.7
77.91382	2.2
79.05480	22.0
81.03420	4.3
81.07048	100.0
83.04973	10.1
83.08611	14.6
85.02930	2.9
85.06536	7.3
91.05469	28.5
93.07037	15.0
95.04946	6.8
95.08598	24.6
97.06528	7.3
98.20723	6.3
98.98473	2.2
99.08099	4.7
105.07021	43.5
107.08566	13.4
109.06516	5.3
109.10149	4.2
113.05960	2.4
119.08569	27.4
121.10106	22.1
123.08060	4.5
123.11692	33.4
127.07557	3.3
131.08543	2.8
133.10120	5.5
134.03679	2.0
137.02335	4.5
137.37718	2.1
145.10081	2.4
147.11667	80.4
157.10130	6.3
165.12744	40.4
171.01334	10.8
175.11159	3.8
181.05077	4.1
183.13748	3.9
193.12244	3.7
198.20786	2.3
211.13228	1.9
213.05431	3.8
225.05421	4.0
229.14330	6.2
253.05000	4.6
267.15964	5.0
270.05219	7.7
285.07571	43.7
285.10733	3.6
285.16815	38.8
285.21863	3.0
285.29440	2.4
286.07864	3.7
305.25546	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01864	7.3
55.05509	30.9
57.03430	61.4
57.07057	3.4
59.04982	5.0
59.11816	2.7
67.05489	50.4
69.03421	7.8
69.07064	18.1
71.04982	10.8
71.63682	5.2
75.36776	3.6
79.05484	48.8
81.03404	97.0
81.03879	4.8
81.07052	59.7
81.07524	2.1
83.04981	24.4
83.08613	38.2
85.02888	91.0
85.06536	4.6
87.04336	2.9
91.05462	52.1
93.07027	34.6
95.04959	48.2
95.08585	24.2
97.02873	5.9
97.06509	6.8
97.10165	3.5
98.98489	4.2
105.07022	43.8
107.04922	10.3
107.08578	15.0
109.06503	11.4
109.10126	7.5
111.04436	4.4
111.08054	22.2
113.05984	8.4
117.06968	4.8
119.08559	38.6
121.10126	23.5
123.08061	4.2
123.11698	4.8
125.09586	3.1
129.06967	17.0
131.08546	23.6
133.06477	7.0
133.10133	18.4
134.03584	4.6
135.11661	3.4
137.02348	4.5
142.07748	6.8
145.10095	4.8
147.08028	8.7
147.11676	29.7
149.09567	16.9
157.10069	21.0
165.12717	7.1
171.01324	4.9
175.11159	29.1
179.06003	3.0
181.04950	12.4
193.12224	100.0
194.63237	3.6
211.13264	71.0
213.05466	3.9
225.05478	5.9
242.05745	5.6
253.04901	5.7
270.05188	5.6
271.64688	3.3
285.07608	52.8
285.10916	4.8
285.16837	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01855	1.8
55.05505	15.4
57.03167	1.8
57.03425	21.3
58.59542	0.9
59.03970	1.0
60.30872	1.0
65.03918	1.9
66.80694	0.9
67.05492	34.3
69.03403	2.4
69.07056	19.3
70.52983	1.1
71.04976	5.6
71.61791	2.0
71.62183	1.3
73.67455	1.0
79.05482	20.4
81.03393	3.5
81.07043	100.0
82.07374	1.3
83.04967	7.1
83.08607	12.2
84.58183	1.0
85.02882	2.3
85.06527	7.1
91.04935	1.6
91.05466	28.1
93.07030	12.3
95.04964	5.3
95.08591	19.7
97.06506	17.6
98.06833	4.1
99.08093	4.9
101.05945	1.4
105.07009	38.1
107.04962	2.4
107.08575	14.2
109.06494	4.9
109.10164	2.0
111.08041	2.1
113.05939	2.4
115.05420	1.6
117.07009	1.6
119.07763	1.8
119.08562	29.8
121.06496	1.5
121.10123	23.0
123.08044	4.2
123.11692	31.3
125.09584	1.1
127.07528	2.9
129.06932	3.6
131.08530	2.7
133.10103	3.9
134.03581	2.4
137.02303	5.1
137.13206	2.1
141.06935	1.7
141.09009	1.2
145.10106	2.5
147.11661	73.3
148.11966	1.7
149.09581	1.4
157.10078	5.7
161.05873	1.1
165.06995	1.3
165.11322	2.2
165.12720	36.5
173.05872	2.2
174.06296	1.5
175.11139	4.0
181.04918	1.5
183.13774	2.9
188.08136	2.1
189.08611	5.5
193.06488	1.8
193.12212	4.3
197.05908	2.8
197.09416	1.1
201.05287	1.3
201.35098	1.2
210.06775	1.1
211.13211	1.4
211.18478	1.1
213.05469	1.4
214.06094	1.8
225.05424	3.7
225.09077	3.4
229.04816	1.4
229.08527	2.1
229.14296	5.0
234.81345	0.9
242.05667	2.7
243.11284	3.7
253.04785	2.2
253.08620	4.2
267.15753	3.2
269.04376	3.5
270.05200	8.1
285.03946	5.6
285.07532	37.9
285.11243	4.5
285.14429	3.4
285.16916	39.5
285.21988	2.2
286.07822	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
53.13035	2.0
55.01865	4.0
55.05501	22.9
57.03427	35.3
65.03942	2.7
67.05492	29.5
69.03419	8.6
69.07053	8.4
69.59805	8.2
69.60241	6.3
71.04988	8.2
79.05479	27.7
81.03405	100.0
81.07041	42.9
83.04963	12.7
83.08609	32.9
85.02891	57.9
91.05463	33.3
93.07026	22.5
95.04955	39.6
95.08582	13.2
97.02869	5.1
97.06495	9.5
97.10158	4.9
98.98462	2.6
99.08106	2.3
104.72791	1.9
105.07012	35.2
107.04940	6.3
107.08590	11.7
109.06500	5.3
109.10143	5.4
111.04424	4.4
111.08051	14.6
113.06001	6.9
115.05473	3.5
117.07005	4.5
119.08559	23.1
121.10120	12.0
123.08081	4.6
123.11701	5.4
129.06955	14.3
131.04951	2.1
131.08516	12.4
132.72353	2.3
133.06480	3.8
133.10109	9.6
137.02339	5.0
137.05968	4.2
137.09569	2.9
142.07771	3.9
143.08536	3.0
145.10141	4.4
147.08014	4.7
147.11659	26.5
149.09608	7.4
155.08513	2.5
157.10101	17.4
159.08031	2.1
165.12746	8.0
175.11174	22.4
181.04930	9.3
193.12213	84.1
211.11238	4.4
211.13248	58.4
217.28175	2.1
224.50354	1.8
225.05415	2.1
229.14328	2.3
243.11349	2.3
243.17140	2.0
253.04900	5.1
253.08450	2.9
267.15759	8.8
270.05157	4.7
285.04263	3.0
285.07553	30.9
285.10751	3.3
285.16769	41.6
285.21799	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01866	1.9
55.05505	17.4
57.03171	1.3
57.03431	20.8
57.07067	1.5
63.00032	1.3
65.03928	1.1
67.05499	37.7
69.03382	1.6
69.07057	18.9
70.96387	1.2
71.04983	9.6
71.58322	1.8
71.58695	1.6
74.34104	1.2
79.05482	25.1
81.03398	4.6
81.07047	100.0
83.04969	8.6
83.08618	11.3
85.02873	4.5
85.06522	7.1
86.29449	1.1
91.04948	2.0
91.05472	29.3
93.07040	14.5
95.04969	5.7
95.08038	1.5
95.08596	22.7
97.06519	8.9
97.10086	1.3
98.98438	1.3
99.08073	4.1
101.06004	1.5
103.05466	2.3
105.07021	42.9
107.04928	1.3
107.08587	15.1
109.06502	7.1
109.10138	3.2
111.08041	2.3
117.06976	1.2
119.07757	2.1
119.08562	31.6
121.10126	19.9
123.04306	1.1
123.08031	4.2
123.11701	31.0
127.07525	3.0
128.27446	1.1
129.00423	1.1
129.06999	3.7
131.04912	1.5
131.08528	3.6
133.06444	1.6
133.10100	5.0
134.03497	1.4
135.04346	1.1
135.11671	1.1
137.02315	7.0
137.05933	9.6
137.13206	3.1
141.06973	1.1
142.99153	1.4
145.10095	2.0
147.11674	72.8
149.09531	2.1
157.10117	6.6
159.11652	1.7
161.05937	2.8
165.11339	2.2
165.12732	40.3
175.11165	3.3
181.04962	16.4
181.06488	2.0
183.11885	1.4
183.13747	5.3
184.03551	1.1
184.11087	1.1
193.12259	5.8
197.05974	1.4
211.13234	1.8
213.05515	2.2
225.05437	4.5
225.09111	1.4
229.08559	2.1
229.14290	4.6
242.05623	1.7
253.04984	2.5
253.08673	1.9
267.15875	4.0
270.05133	4.9
273.84830	1.1
285.04300	1.9
285.07513	27.5
285.11166	4.9
285.16916	38.0
285.22043	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01854	4.5
55.05501	22.3
56.96544	1.8
57.03427	36.3
57.07035	3.0
59.04986	2.3
63.00027	4.0
67.05498	36.8
68.99786	3.1
69.03414	5.6
69.07058	13.7
71.04996	10.6
71.59965	2.0
71.60379	2.4
79.05480	26.8
81.03406	100.0
81.06558	2.4
81.07037	43.3
83.04966	18.3
83.08605	31.4
85.02890	59.2
85.06516	2.7
89.40662	2.0
91.05465	33.8
93.07030	25.8
95.04954	40.8
95.08591	21.0
97.02885	7.2
97.06509	17.8
97.10154	4.9
103.05466	2.5
105.07011	35.0
107.04927	8.5
107.08569	12.0
109.06487	7.9
109.10147	6.2
111.04421	4.6
111.08073	19.5
113.05997	4.5
115.05439	2.9
117.06985	5.2
119.08546	29.5
121.06511	4.4
121.10085	16.7
123.04445	4.0
123.08031	3.9
123.11718	4.1
128.06152	3.5
129.07011	12.6
131.03795	1.9
131.08540	18.2
133.06487	4.9
133.10115	13.3
137.02310	9.3
137.05991	5.3
141.06946	5.8
142.07764	4.4
143.08510	5.3
145.06496	3.9
145.10089	7.1
147.07991	4.8
147.11671	25.0
149.02357	4.0
149.09569	8.4
154.07762	2.1
155.08614	3.5
157.10114	22.3
159.11728	4.1
160.08366	3.4
161.06036	5.0
165.07109	2.3
165.12776	10.5
169.06395	3.1
169.10130	2.7
173.09631	2.1
175.11147	25.4
181.04895	9.2
181.06360	3.0
183.11620	2.6
187.07535	4.9
188.07930	7.8
189.08942	3.0
189.98756	2.1
193.06531	3.5
193.12210	90.4
196.05203	2.3
197.05927	6.4
199.07549	3.2
201.08960	2.4
210.06725	4.2
211.13240	59.5
213.05432	5.6
214.06242	4.6
225.05402	7.7
225.09088	5.2
225.16359	3.0
229.04927	3.3
229.08589	3.8
229.14075	3.2
239.07031	2.2
241.12201	3.5
242.05754	4.3
243.11258	2.6
253.04968	5.8
253.08589	8.1
257.04352	4.7
257.08072	3.4
267.06631	2.6
267.16061	7.6
269.04358	4.5
270.05145	15.3
285.03986	13.7
285.07544	93.8
285.11154	9.8
285.14435	3.8
285.16895	44.9
285.22006	4.3
286.07849	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01858	7.4
55.05503	22.5
57.03158	4.0
57.03430	57.4
57.07057	6.2
67.05493	42.4
69.03409	8.1
69.07072	14.2
71.04984	11.7
77.77602	2.1
79.05481	45.5
81.03409	100.0
81.03889	4.9
81.07050	54.8
83.04977	19.9
83.08617	35.4
85.02898	91.8
85.06509	2.7
91.05472	52.3
93.07035	31.2
95.04955	39.0
95.08592	25.4
97.02891	2.7
97.06509	8.7
97.10165	3.3
97.76124	1.8
99.08106	3.8
105.07015	40.5
107.04942	9.0
107.08566	12.6
109.06499	10.2
109.10126	5.7
111.04408	5.5
111.08091	19.1
113.06020	7.3
115.05463	2.3
117.45365	2.2
117.68221	2.2
119.08573	33.8
121.06547	2.8
121.10138	15.5
123.08041	6.9
123.11680	6.2
129.06995	14.2
131.08554	18.0
133.06465	2.8
133.10124	17.9
137.02307	3.7
137.09656	2.4
142.07794	3.9
145.10071	3.5
147.08066	4.5
147.11653	30.0
149.09622	9.8
157.10135	26.1
160.58781	2.6
163.11214	3.1
165.12735	7.7
171.01384	3.1
175.11201	30.9
181.04979	5.7
184.95209	2.0
193.12224	94.5
197.05853	2.3
211.11238	4.3
211.13264	81.1
216.90517	2.4
225.05418	4.0
225.91388	2.1
229.37038	2.2
229.79784	2.1
233.80992	2.5
267.15906	3.2
270.05270	7.0
285.07532	29.4
285.16867	59.7
285.24124	3.5
285.33340	2.7
286.17218	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01860	1.9
55.05247	1.0
55.05500	15.6
57.03162	1.4
57.03428	26.2
57.07043	1.5
62.28091	1.0
64.99728	0.9
65.03920	2.0
65.08987	0.9
67.05494	34.1
67.12847	0.8
69.07056	19.1
69.79810	5.0
71.04990	7.6
79.05478	21.9
81.03394	1.9
81.07043	100.0
83.04979	9.4
83.08607	10.7
85.02884	1.3
85.06533	7.3
91.05465	27.6
93.07034	13.6
95.04950	5.6
95.05484	0.9
95.08584	20.9
95.93386	1.0
97.06516	10.1
97.10078	0.9
98.06850	1.1
99.08086	5.0
101.05974	1.6
105.07016	35.9
107.08578	11.6
109.06535	6.4
109.10117	2.6
111.08086	1.2
113.05994	2.1
115.05508	1.2
117.07027	1.5
119.07751	1.7
119.08566	28.5
121.10124	21.2
123.04413	7.3
123.08055	4.6
123.11688	32.0
127.07521	2.5
129.06979	2.3
131.08508	2.6
133.06447	1.8
133.10100	3.3
137.02260	2.0
137.05893	1.5
137.09604	1.3
137.13232	3.5
141.06982	1.7
141.09047	1.9
145.06453	1.5
145.10071	1.2
145.49982	0.9
147.11665	77.1
157.06453	1.0
157.10117	3.9
161.06044	2.2
163.07510	5.9
165.12735	38.5
169.06371	1.4
171.19737	0.9
175.07449	1.0
175.11084	3.3
183.07953	1.3
183.13750	3.5
186.21848	1.0
188.08250	1.6
189.05424	1.3
189.08673	2.2
193.06480	2.1
193.12134	3.1
197.05966	3.0
203.33679	1.0
211.07570	1.2
213.05405	1.9
214.06105	1.5
215.06975	2.1
221.05997	1.1
225.05360	3.7
225.09041	2.5
229.08704	1.1
229.14211	4.5
242.05821	2.5
243.06456	1.5
253.04874	2.6
253.08551	1.6
257.08112	1.4
267.15808	3.1
270.05176	4.1
285.04324	1.1
285.07510	28.4
285.11127	7.1
285.14026	2.4
285.16916	37.1
285.21964	2.1
286.04932	1.0
286.07980	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
54.51415	3.0
55.01857	5.6
55.05509	27.9
56.26264	3.3
57.03429	54.5
59.38508	3.2
64.68346	3.2
67.05494	47.3
69.07055	16.4
71.04984	9.3
71.18150	8.0
79.05488	44.1
79.60943	3.5
81.03404	100.0
81.07048	58.3
83.04972	20.6
83.08604	40.5
85.02893	88.2
85.06540	4.1
91.05470	45.2
93.07037	33.9
95.04960	42.5
95.08603	23.2
97.02882	4.5
97.06529	8.3
105.07009	41.1
107.04963	10.2
107.08567	14.0
109.06512	7.9
109.10174	5.8
110.41940	4.4
111.04383	5.9
111.08069	14.3
113.05997	8.9
119.08581	33.0
121.06449	4.0
121.10134	16.7
123.11687	4.6
129.07030	11.6
131.08501	19.1
133.06374	4.6
133.10117	16.5
135.11755	3.7
137.02299	5.7
145.10065	4.4
147.08035	4.7
147.11693	27.9
149.09584	11.8
153.37494	3.4
157.10118	27.1
163.11127	3.7
171.01401	10.4
175.11162	28.0
181.04951	8.7
193.12227	94.4
208.04892	3.7
211.13263	73.6
213.05350	4.1
222.96706	4.0
225.05531	6.1
269.04211	4.1
270.05231	13.1
285.04272	5.2
285.07538	71.9
285.10660	7.4
285.16821	52.0
285.21808	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01861	2.9
55.05504	16.3
56.89368	1.2
57.03428	23.3
65.03925	2.1
67.05146	2.1
67.05492	34.3
69.03397	1.6
69.07052	18.6
70.01694	6.8
71.04977	6.8
79.05485	23.4
81.03402	2.3
81.07042	100.0
83.04969	8.1
83.08611	8.2
85.06528	7.3
86.22128	1.1
89.03837	1.3
91.04922	2.2
91.05467	28.2
93.07019	13.6
95.04969	2.9
95.08015	1.6
95.08587	22.2
97.06507	8.8
99.08064	5.3
101.06037	1.5
103.05444	2.3
105.07012	40.8
107.08575	13.8
109.06519	7.0
109.10126	2.7
111.08047	2.2
113.05947	1.1
117.06995	2.7
119.08556	31.2
121.10132	24.1
123.08059	5.8
123.10766	1.8
123.11679	33.1
123.96023	1.1
127.07508	2.8
129.06995	2.8
131.08536	2.2
133.10086	4.7
134.03590	4.2
137.02312	11.2
137.13206	2.3
141.06912	1.4
141.09027	2.0
145.10123	1.7
147.11661	90.6
149.09625	1.3
157.10101	7.2
159.07942	1.2
161.05849	1.7
165.12727	42.6
169.06505	2.5
175.11147	4.6
183.13730	4.9
187.03897	1.9
189.05528	1.9
193.06442	1.3
193.12173	3.4
197.05917	3.8
211.13313	1.9
213.05487	6.2
214.06223	3.4
225.05411	7.7
225.09033	2.6
229.04808	1.6
229.08559	1.7
229.14334	11.2
239.07079	1.7
242.05568	1.8
243.11224	2.8
253.04918	11.5
253.08575	4.2
257.04379	3.2
267.15909	5.0
269.04294	4.5
270.05185	18.3
271.05661	1.5
272.11523	2.1
285.04019	5.4
285.07538	77.4
285.11148	4.1
285.16910	45.9
285.21774	2.2
286.07895	4.1
286.17334	1.6
292.80011	1.3
307.67297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01849	2.2
55.05245	1.0
55.05500	18.6
55.42334	0.7
57.03168	1.4
57.03428	23.1
65.03902	1.2
67.05494	35.1
69.03431	0.9
69.07055	16.3
69.93646	3.4
70.18964	0.8
71.04974	5.8
79.05479	20.6
81.07045	100.0
82.07375	1.2
83.04964	7.3
83.08601	8.9
85.06518	7.7
91.05463	27.9
93.07035	11.2
93.62978	0.8
95.04938	3.0
95.08018	1.6
95.08595	23.0
95.09199	1.3
97.06518	8.3
97.10114	1.1
99.08060	4.8
101.06012	1.7
105.07014	36.8
105.74030	0.8
107.08586	12.2
109.06493	6.1
109.10143	2.1
111.08038	1.1
113.05959	2.1
113.57077	0.8
119.08564	31.3
121.10126	21.4
123.08089	4.0
123.10792	1.5
123.11692	29.2
127.07510	3.1
129.06973	2.5
131.08528	1.8
133.10115	2.8
137.02316	1.9
137.13234	1.5
142.07826	0.8
145.10091	0.9
147.11664	75.5
149.09621	1.0
157.10088	2.7
165.12730	35.5
175.11122	4.3
183.13795	3.5
192.57935	0.8
193.12221	2.6
229.14352	5.7
242.05711	7.6
267.15848	2.4
270.05179	13.2
285.04306	1.8
285.07526	21.9
285.16922	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
54.35483	1.2
55.01856	2.3
55.05504	20.7
57.03175	2.1
57.03430	26.5
57.07070	1.7
62.77909	1.2
65.03930	1.7
67.05494	40.0
69.03403	3.5
69.07060	19.5
70.26202	6.2
70.85310	1.6
71.04971	5.9
75.59083	1.6
76.29460	1.5
76.94142	1.3
79.05479	26.1
81.03408	33.6
81.07046	100.0
83.04975	13.3
83.08603	19.8
85.02888	11.4
85.06509	7.6
87.00565	1.4
91.04939	2.6
91.05468	35.7
93.07037	16.3
95.04967	12.4
95.08582	21.8
97.02872	1.4
97.06537	9.3
99.08076	4.7
101.05979	1.6
105.07017	43.8
105.07732	2.3
107.04929	4.1
107.08603	11.2
109.06474	6.9
109.10152	4.1
111.08070	5.4
113.05982	2.1
119.08569	35.7
121.10120	23.9
123.08026	5.8
123.11687	30.0
127.07575	3.9
129.06996	5.7
131.08568	4.2
133.10077	4.4
137.09619	2.4
137.13293	2.1
142.07712	1.8
145.10098	2.0
147.11662	76.8
148.12070	1.7
149.09592	1.9
151.32426	1.4
157.10071	7.5
165.12735	42.2
175.11177	9.4
183.13750	4.1
193.12201	24.0
197.05914	1.6
211.13243	9.0
229.14337	4.7
253.08586	1.9
267.15881	5.9
270.05228	2.7
285.04129	2.8
285.07584	20.7
285.13953	2.8
285.16925	45.8
292.01364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01857	0.6
55.05501	1.9
57.03424	2.4
58.87844	0.2
65.03922	0.4
67.05490	3.2
68.60521	0.2
68.99770	0.6
69.03411	0.4
69.07053	1.3
71.04970	0.7
71.05336	0.2
71.62257	0.3
77.03912	0.2
79.05479	2.2
81.03403	7.9
81.07042	7.2
83.04974	0.9
83.08612	2.3
85.02901	1.6
85.06505	0.4
89.03902	0.5
91.05464	3.6
93.07037	1.8
95.04389	0.3
95.04955	2.7
95.08584	2.0
97.02876	0.5
97.06494	0.8
99.04465	0.3
99.08071	0.4
101.30109	0.2
104.18482	0.2
105.03368	0.3
105.07014	3.9
105.37631	0.1
106.04135	0.2
107.04951	1.3
107.08565	1.5
109.02848	0.3
109.06498	0.7
109.10107	0.3
111.04400	0.5
111.08060	0.6
113.05997	0.4
115.05450	0.3
117.06963	0.2
119.04926	1.7
119.08560	2.9
121.02850	0.7
121.05614	0.2
121.06483	4.0
121.10110	1.9
123.04420	1.0
123.08041	0.5
123.11684	1.9
124.03905	0.3
127.03873	0.3
128.06204	0.2
129.06964	0.7
131.04939	0.2
131.08528	0.6
133.02803	0.5
133.06430	0.3
133.10104	0.7
134.03624	1.3
135.04321	0.5
137.02315	26.4
138.02646	0.5
141.06978	1.3
142.07750	0.3
144.05678	0.4
145.06448	0.3
145.10101	0.5
147.04372	0.4
147.08051	0.2
147.11653	5.6
148.05170	1.2
149.02327	1.9
149.05966	1.1
149.09651	0.4
151.03880	1.3
153.06982	0.5
154.94246	0.2
155.04819	0.2
155.08536	0.4
157.10132	0.9
158.07195	0.2
159.08072	0.3
161.02238	0.2
161.05952	0.3
163.03856	0.5
165.07027	0.4
165.08856	0.1
165.12708	2.3
168.05681	0.8
169.06421	0.9
169.10051	0.2
171.04378	0.2
172.05193	0.2
173.05928	0.2
175.03860	3.2
175.11159	1.2
176.04741	0.9
181.04996	0.2
181.06458	0.4
182.07178	0.3
183.08057	0.3
183.11691	0.2
183.13736	0.3
185.05905	0.5
186.06741	1.1
187.03883	0.8
187.07460	0.5
189.05458	0.6
193.04910	0.2
193.12216	4.0
195.07866	0.2
196.05142	0.9
197.05951	4.0
198.06554	0.7
199.03865	0.3
199.07489	0.2
199.14787	0.2
200.04616	1.2
200.46936	0.2
201.05487	1.1
201.09032	0.4
209.05925	0.3
210.06604	0.2
211.07515	0.9
211.11354	0.3
211.13210	1.3
213.05438	2.8
213.08910	0.3
214.06213	2.5
215.03368	0.7
215.07094	0.8
221.05991	0.3
224.04671	2.2
225.05428	18.6
225.09055	0.7
226.05832	1.3
227.03345	1.3
227.06958	0.4
228.03929	0.4
229.08568	9.0
229.14316	0.4
230.08870	0.5
238.09364	0.2
239.07013	0.7
239.10663	0.2
241.04840	0.3
241.08592	1.0
242.05721	2.7
242.08313	0.2
243.06364	0.4
252.04155	4.3
253.04900	2.4
253.08549	0.9
253.64589	0.2
257.04361	0.5
257.08023	3.1
257.10919	0.2
257.11920	0.2
267.06470	2.3
267.15784	0.9
267.20972	0.2
267.68747	0.2
269.04388	2.0
270.05176	3.6
271.05432	0.2
285.07523	100.0
285.16644	3.1
286.04620	0.3
286.07837	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86269	1.6
53.03924	5.1
53.68103	1.5
55.01852	5.0
55.05502	25.0
56.44409	1.5
57.03428	47.0
65.03920	2.6
67.05499	45.7
67.06059	1.7
69.03419	4.5
69.07057	11.0
71.04982	11.9
79.05480	41.3
81.03410	100.0
81.07045	48.5
83.04971	21.4
83.08611	33.6
85.02894	73.7
85.06522	2.5
91.04929	3.0
91.05474	50.1
93.07034	28.6
95.04957	44.6
95.08589	16.3
97.02864	5.2
97.06499	6.7
97.10129	3.4
105.06342	2.7
105.07018	38.4
107.04944	7.8
107.08580	12.1
109.06513	7.8
109.10120	6.5
111.04437	2.9
111.08065	21.8
113.05968	6.3
115.05424	2.1
117.06973	4.0
119.04855	1.7
119.08569	32.4
119.09410	2.7
121.06477	2.4
121.10119	13.3
123.08025	4.6
123.11703	3.4
125.09599	2.3
129.06970	13.2
131.08557	17.7
133.06482	2.7
133.10130	15.8
135.08035	1.6
137.02316	1.6
141.07013	1.7
142.07741	4.4
145.10054	2.7
147.04260	2.3
147.08046	4.2
147.11671	30.8
149.09575	10.1
152.06087	1.8
157.10129	22.9
163.11116	2.1
165.06947	1.9
165.12741	6.8
175.11169	26.2
177.01743	1.6
193.12222	87.7
194.12607	1.8
211.13278	53.6
213.05525	1.8
225.05348	2.9
225.09071	4.0
229.20203	1.9
253.04863	3.1
253.08575	5.5
257.04514	1.9
267.15793	4.9
269.04254	1.7
270.05182	4.0
285.04132	3.3
285.07480	16.3
285.11310	4.7
285.16901	64.9
298.54688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01868	3.1
55.05505	8.0
57.03432	12.1
61.34185	0.7
66.37956	0.9
67.05499	16.1
69.03426	3.1
69.07059	3.1
69.88670	1.8
69.89078	4.1
71.04980	2.8
71.64262	0.8
73.99393	0.7
79.05479	14.9
81.03409	100.0
81.07049	17.7
83.04984	6.9
83.08612	21.8
85.02892	10.9
85.06524	1.4
86.49796	1.1
87.35303	0.9
91.05467	16.6
93.07025	8.2
95.04958	27.8
95.08578	4.0
97.02878	5.2
97.06537	2.7
97.10118	1.2
98.09692	1.6
105.07020	13.6
107.04936	6.1
107.08589	4.1
109.06530	2.4
109.10161	1.4
111.04427	3.2
111.08074	11.5
113.05997	1.0
115.05460	2.0
117.07008	1.3
119.04901	0.9
119.08559	12.9
121.06498	1.9
121.10151	6.7
123.04459	1.1
123.08076	1.9
123.11707	1.5
125.09583	1.4
126.09135	2.4
128.06198	1.3
129.06973	8.2
131.08539	8.0
133.06485	3.7
133.10114	5.8
137.02379	1.6
137.09615	1.3
142.07817	2.1
145.06345	1.0
145.10072	1.5
147.08040	2.7
147.11661	9.3
149.09579	4.3
151.07413	0.9
157.10123	9.7
161.05969	1.2
165.07005	1.5
165.12798	2.3
175.11186	12.6
181.04893	1.2
186.55435	0.9
193.12224	48.3
210.06857	1.4
211.07643	1.1
211.13226	12.9
213.05357	1.2
221.06059	1.3
225.05367	1.8
225.09091	2.5
229.05048	1.6
229.08627	1.9
253.08643	2.9
257.08151	1.1
267.15927	10.2
269.04495	1.0
270.05087	4.0
285.04077	2.7
285.07574	13.0
285.11426	3.5
285.16827	7.4
285.21884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01844	0.7
56.96547	0.7
57.03414	1.0
57.07039	0.6
63.00024	0.8
65.03927	1.0
67.05502	0.7
68.99764	0.6
69.03401	1.1
70.06568	1.3
70.07442	1.2
70.07850	1.2
71.04972	0.7
72.08131	0.5
78.04675	1.9
79.05470	1.8
81.03398	1.2
81.07030	0.8
83.04949	0.5
84.08115	1.0
85.02882	0.6
86.09695	1.0
91.05463	10.8
93.07035	11.5
95.04959	4.6
95.08614	0.7
97.02876	0.9
98.20734	0.6
103.05453	10.3
105.07021	3.3
106.04147	1.4
107.04944	1.7
109.02848	1.1
110.07117	1.0
115.05432	1.2
119.04932	1.3
121.02831	0.6
121.05611	1.1
121.06485	20.3
122.06074	0.6
123.04411	6.3
124.05164	1.8
125.07030	0.6
127.03896	0.7
130.04970	0.5
131.04951	0.8
131.05960	1.0
133.06477	2.9
134.03629	1.1
137.02307	1.1
137.05917	1.4
144.12212	0.5
147.04399	0.9
149.05957	32.1
150.00697	0.8
150.05406	0.7
151.03947	2.3
151.07535	0.6
152.04700	1.3
152.07065	0.7
153.05496	0.6
155.08511	0.6
161.05968	4.0
164.07033	0.9
164.89041	0.5
165.05513	0.6
165.06891	1.2
166.06230	8.3
167.07013	100.0
168.07385	1.4
171.01360	0.6
173.07097	1.6
177.05478	0.5
178.06239	1.2
179.06993	1.2
180.07832	1.2
181.05167	2.4
181.08562	50.8
182.08925	0.7
193.06638	0.7
193.08568	1.4
196.09940	1.1
197.05988	0.9
198.05821	0.6
206.08412	1.9
207.10129	1.1
211.07645	1.6
211.09610	40.1
221.06015	0.8
221.10506	0.6
224.09344	0.7
225.05518	0.6
225.09123	0.8
229.04938	1.1
235.00751	2.0
238.10988	0.8
239.06975	0.6
239.11816	1.6
243.06543	0.7
244.01266	0.7
246.51680	0.5
253.08589	1.2
257.08112	1.3
267.06680	0.7
267.11206	4.2
267.13638	0.7
285.04120	1.0
285.07550	4.5
285.12213	6.7
285.17212	1.4
285.29779	0.8
286.07733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Biochanin A
Peak:m/z	Relative Intensity
54.27856	0.1
58.09907	0.1
60.17732	0.1
68.99758	0.3
71.16476	0.4
81.03386	0.3
81.07040	0.2
86.95883	0.1
89.03894	0.7
89.07359	0.1
91.05440	0.3
97.06441	0.2
105.03373	0.2
105.07043	0.2
107.08415	0.1
108.02071	0.3
115.05402	0.2
121.02805	0.2
121.06433	0.3
123.04439	0.2
129.06972	0.3
131.04813	0.1
133.10046	0.1
134.03609	8.2
137.02309	14.9
138.02711	0.2
139.33461	0.2
141.06963	2.3
144.05717	0.1
145.06409	0.2
147.11649	0.2
149.06055	0.2
153.06918	0.2
154.02579	0.5
154.65773	0.2
155.04875	0.6
157.06453	0.5
158.07265	0.7
161.02216	0.2
165.12674	0.2
168.05655	0.5
169.06438	1.9
171.04370	0.2
175.03835	0.3
181.06485	0.7
183.04356	1.1
185.05988	0.9
186.06737	2.4
187.03850	0.3
196.05127	0.6
197.05940	5.3
198.06487	0.2
199.03777	0.2
200.04736	0.2
210.49443	0.1
213.05424	12.7
214.06198	8.3
215.06680	0.4
221.05960	0.1
224.04684	0.5
225.05420	15.3
226.05972	0.5
228.04056	0.2
229.05069	0.2
229.08569	2.3
236.71220	0.1
241.04933	0.6
242.05688	1.7
253.04919	14.1
254.05290	0.4
257.07996	0.7
257.90454	0.1
269.04413	6.1
270.05173	29.7
271.05527	0.7
285.07516	100.0
286.04840	0.1
286.07867	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	285.0753
Annotation	Oxoflaccidin
Peak:m/z	Relative Intensity
51.91893	0.3
53.03947	0.3
55.01871	0.3
57.03415	0.5
68.99777	0.7
69.27694	0.2
69.79978	1.7
79.05463	0.6
81.03416	2.3
81.07043	0.3
85.02859	0.5
85.63978	0.3
89.03902	0.4
91.05447	0.8
93.07016	0.6
95.01295	0.3
95.04938	1.1
107.04961	0.7
111.04430	0.3
115.05455	0.3
119.04953	1.4
121.02834	0.6
121.06481	4.6
123.04416	1.0
134.03621	1.2
137.02324	27.9
138.02670	0.4
141.06949	1.4
147.04416	0.5
147.11673	0.3
148.05182	1.2
149.02356	1.5
149.05919	1.5
151.03865	1.1
152.06198	0.4
159.08089	0.3
163.03845	0.6
168.05710	0.6
169.06482	1.0
172.05173	0.3
175.03882	3.6
176.04692	0.8
185.06059	0.3
186.06723	1.1
187.03865	0.5
187.07524	0.5
193.12262	0.8
196.05124	0.5
197.05984	3.3
198.06647	0.9
199.03867	0.3
200.04643	1.1
201.05434	0.9
201.09058	0.3
211.07498	0.8
211.13277	0.5
213.05432	2.3
214.06200	2.0
215.06943	0.4
224.04636	2.7
225.05435	19.9
226.05989	0.8
227.03442	1.6
228.04015	0.3
229.08568	9.5
230.08882	0.5
239.07114	0.5
241.04922	0.4
241.08681	1.0
242.05710	2.4
252.04153	4.1
253.04916	2.5
257.08087	3.7
260.90897	0.3
267.06494	3.1
269.04373	0.4
270.05188	2.0
285.07544	100.0
286.07883	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
50.44611	0.2
56.94822	0.2
60.10672	0.2
68.99745	0.3
69.91062	1.0
72.92144	0.2
78.04691	0.2
81.03369	0.2
87.05471	0.2
89.03858	0.6
95.04920	0.2
105.03333	0.2
115.05389	0.4
117.03304	0.4
121.02815	0.3
121.06448	0.3
134.03607	8.0
136.01482	0.3
137.02313	14.5
138.02654	0.2
141.06960	2.2
149.02266	0.3
149.05867	0.2
154.02556	0.4
155.04881	0.4
157.06425	0.3
158.07208	0.5
168.05629	0.5
169.06456	1.7
175.03752	0.2
181.06433	0.7
183.04370	0.5
185.05934	0.8
186.06711	2.4
187.03836	0.4
189.05377	0.2
196.05106	0.8
197.05945	6.3
200.04651	0.3
211.07303	0.2
213.05421	10.2
214.06218	6.9
215.03362	0.3
215.06668	0.3
224.04610	0.4
225.05426	14.7
226.05789	0.5
229.04938	0.2
229.08554	2.3
235.03885	0.2
241.04900	0.5
242.05682	1.3
252.04041	0.3
253.04909	23.0
254.05313	0.7
257.04407	0.3
257.08054	0.6
269.04401	5.9
270.05179	34.7
271.05539	1.0
285.07523	100.0
286.07892	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	285.0753
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
56.61357	0.4
62.67574	0.4
63.63435	0.4
68.99769	0.4
71.05067	1.0
71.05429	0.8
72.04980	0.5
91.46671	0.4
103.05427	0.8
105.07012	0.4
107.04890	0.8
111.00768	0.4
118.04134	2.6
123.04436	2.7
123.05157	0.4
124.01537	2.4
133.06465	1.5
141.06941	0.5
149.02321	2.9
152.01012	3.6
153.01820	2.7
158.03630	2.0
169.06601	0.7
170.02071	5.8
179.03346	1.0
186.06746	0.6
197.05925	1.6
213.05396	4.5
214.06161	1.0
225.05382	0.9
229.08577	5.2
241.04904	2.0
242.05705	6.9
243.06105	0.4
252.04030	0.7
253.04956	4.4
268.25195	0.5
269.04404	5.1
270.05161	7.9
285.07538	100.0
286.07907	3.3
300.85342	0.4
308.98602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
50.94250	0.3
53.03939	0.3
55.48835	0.3
61.35332	0.3
66.77554	0.3
67.05472	0.3
67.62736	0.3
68.99770	0.3
69.77393	1.8
79.05470	0.5
81.03403	0.4
81.07051	0.5
82.22384	0.3
83.08614	0.5
91.05495	0.7
92.02614	0.4
95.04968	0.7
98.21359	0.5
105.07019	0.3
107.04951	4.5
121.06488	0.8
123.04417	4.3
134.03619	15.1
137.02322	12.1
141.06895	0.3
147.04430	0.3
149.06001	0.5
163.03935	1.5
169.06531	0.3
193.12343	0.3
197.05928	1.8
200.04733	1.0
201.05476	1.4
213.05420	1.8
214.06311	0.7
225.05402	3.4
229.08630	2.8
239.07132	0.4
241.04979	0.5
241.08650	0.6
242.05710	6.7
245.05293	0.3
253.04930	18.0
257.07990	0.9
269.01700	0.2
269.04407	7.3
270.05203	22.0
271.05661	0.5
285.07544	100.0
286.07861	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	285.0752
Annotation	Biochanin A
Peak:m/z	Relative Intensity
55.05503	0.6
57.03418	0.6
58.03742	0.3
67.05471	0.4
69.72935	0.6
69.73347	1.3
79.05493	0.7
81.03418	0.5
81.07032	0.6
83.08614	0.3
85.02892	0.4
89.03922	0.3
89.31721	0.3
91.05479	0.7
93.07060	0.4
95.04942	0.7
97.02869	0.3
97.06519	1.0
103.05443	0.6
105.07024	1.3
107.04913	0.8
118.04140	0.8
119.08492	0.4
121.06460	0.4
123.00815	1.4
123.04411	2.2
124.01544	0.4
131.04897	0.4
133.06442	0.9
134.03673	0.4
137.02315	1.5
137.06003	0.4
140.06139	0.8
141.06926	0.4
149.02296	0.6
152.01030	7.8
152.06175	0.9
153.01823	1.9
153.06963	1.3
155.04938	0.4
157.06548	0.5
158.07233	0.7
161.05937	0.5
163.07617	0.3
165.07059	0.8
168.05687	5.5
169.06448	0.6
170.02090	4.5
179.03474	0.4
181.04887	0.4
181.06444	0.6
182.07167	0.5
183.08041	8.7
184.08255	0.4
185.05946	0.9
186.06718	1.7
188.08138	0.4
196.05161	3.3
197.06006	1.6
201.09120	0.5
211.07523	6.5
211.10849	0.3
213.05447	2.6
214.06215	1.8
221.06032	0.4
224.04715	0.5
225.05450	1.3
225.09103	0.7
229.05130	0.6
229.08571	13.5
229.10844	0.7
230.09015	0.4
239.06996	3.0
241.04936	1.2
242.05695	3.9
243.06244	0.4
243.11304	0.7
253.04953	3.2
253.08678	0.8
257.04422	0.5
257.07993	0.8
269.04413	3.7
270.05161	5.6
285.07541	100.0
285.21982	0.8
286.07907	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Biochanin A
Peak:m/z	Relative Intensity
55.73726	0.3
60.54491	0.3
68.99786	0.4
69.87392	0.9
69.87788	1.1
81.03413	1.8
84.83727	0.3
85.04966	0.4
89.03886	0.5
91.05460	0.9
98.21427	0.5
105.03376	0.4
107.04921	0.6
111.08068	0.3
118.28158	0.3
119.04923	1.2
121.02855	0.7
121.06477	4.1
123.04403	1.0
123.07026	0.4
127.03915	0.4
127.05707	0.3
134.03603	1.2
137.02319	27.3
138.02676	0.3
141.06967	1.1
144.05681	0.6
148.05154	1.4
149.02277	0.9
149.05942	1.4
151.03877	0.9
163.03864	0.7
168.05663	1.0
169.06470	0.7
170.02066	0.9
175.03914	3.1
176.04608	0.7
183.07991	0.9
185.05995	0.5
186.06711	1.0
196.05225	0.5
197.05931	3.9
200.04684	1.0
201.05482	1.0
211.07510	1.1
213.05434	2.9
214.06230	2.8
215.06978	0.4
224.04637	2.0
225.05424	19.3
226.05939	0.4
227.03299	1.4
227.06895	0.5
228.04150	0.4
229.08575	10.5
239.07034	0.6
241.04890	0.6
241.08493	0.8
242.05698	2.8
246.41019	0.4
252.04120	4.1
253.04955	2.0
257.08112	3.1
267.06433	2.4
269.04388	1.0
270.05197	2.7
285.07538	100.0
286.07855	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	285.0751
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03941	0.2
55.01858	0.5
55.05497	0.4
57.03424	0.3
63.98524	0.2
65.03951	0.3
67.01839	0.3
67.05488	0.7
68.99781	1.7
69.03403	0.3
69.07047	0.4
70.69260	0.6
71.04994	0.2
77.03912	0.3
79.05494	1.2
81.03394	0.6
81.07032	0.6
83.08610	0.2
85.06521	0.2
90.04692	0.3
91.05444	0.8
93.07038	0.3
95.04946	0.8
95.08601	0.5
96.37649	0.2
97.02837	0.3
97.06528	2.5
98.06835	0.9
98.20806	0.2
103.05441	0.8
105.03385	2.4
105.07024	1.4
106.18280	0.2
107.04921	0.8
107.08549	0.3
111.00790	0.4
115.05421	0.7
117.06989	0.7
118.04133	2.5
119.04996	0.2
119.08583	0.5
121.02867	1.5
121.06508	0.4
123.04418	3.3
124.01555	2.2
127.05459	0.2
128.06221	0.4
129.06958	0.4
131.04912	0.7
133.02814	0.8
133.06480	1.4
134.03616	0.5
135.04382	0.6
137.02249	1.0
137.05951	0.6
141.06963	1.0
143.04906	0.2
144.05655	0.9
145.02757	0.3
145.06458	1.4
145.35321	0.2
146.03606	0.3
147.04439	0.2
147.11604	0.8
149.02324	5.0
151.03877	2.0
152.01028	1.9
153.01793	3.9
153.06964	0.3
155.04872	1.1
157.10045	0.4
158.03639	1.4
158.07262	0.5
159.04396	0.5
159.07959	0.8
160.08578	0.2
161.02277	0.4
161.05933	0.8
161.09543	0.2
163.03905	0.4
163.07574	0.3
165.06967	0.3
165.12744	0.3
167.03343	0.3
168.05655	0.8
168.47668	0.2
169.06496	1.0
170.02089	6.1
171.04417	0.3
171.08015	0.3
172.05167	0.7
173.05966	1.1
174.06374	0.3
179.03322	0.9
181.05023	0.4
181.06471	0.6
183.04356	0.6
183.08052	0.5
184.05168	0.4
185.05952	0.8
186.06718	0.9
187.03908	0.3
187.07507	1.8
188.08119	0.6
189.05403	0.6
189.08658	1.2
193.06435	0.3
193.12222	0.3
196.05177	0.6
197.05943	3.0
198.06694	0.5
199.03896	0.3
199.07420	0.3
200.04642	0.9
201.05452	1.1
201.09088	0.8
209.05881	0.3
210.06662	0.3
211.03831	0.3
211.07510	0.7
211.13202	0.2
213.05420	5.2
213.08940	0.4
214.06181	2.2
215.06990	4.6
221.06094	0.3
224.04683	0.6
225.05435	1.7
225.09071	0.5
226.06160	0.5
227.03438	0.3
228.04106	0.5
229.04951	13.7
229.08490	8.1
230.05428	0.4
239.03249	0.3
239.07036	0.5
241.04971	1.9
241.08444	0.3
242.05707	6.5
243.06480	1.2
252.04153	0.8
253.04935	4.9
253.08543	0.7
255.06406	0.2
257.04428	6.2
257.08167	1.2
267.06467	0.5
269.04385	5.1
270.05188	9.4
285.04041	6.8
285.07520	100.0
286.04553	1.4
286.07889	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03936	3.4
55.01852	2.3
55.05499	8.8
57.03423	2.3
57.07055	2.4
57.35323	1.5
59.04989	2.7
65.03925	2.9
67.05496	18.0
69.03404	4.9
69.07071	10.9
69.80118	5.6
69.80528	3.4
71.04959	5.7
79.05483	19.4
81.07042	26.7
81.97845	1.5
83.04958	4.4
83.08607	4.9
86.88874	1.6
91.05471	20.3
93.07036	29.6
95.04950	11.0
95.08596	19.2
97.06506	6.0
97.10156	2.1
98.21349	2.9
103.05393	1.8
105.07014	48.0
107.04995	1.6
107.08588	24.3
108.38117	1.3
109.06504	7.4
109.10145	16.7
111.04451	2.2
111.08067	2.3
111.50631	1.3
115.05448	3.0
117.07027	9.9
119.08558	31.8
121.06488	7.2
121.10133	100.0
123.08068	8.8
123.11673	6.4
125.09653	1.7
128.06213	3.1
129.06955	6.1
130.07848	2.7
131.08548	23.7
133.07626	2.0
133.10120	25.2
135.08038	8.1
135.11687	9.4
137.09579	1.8
142.07755	4.3
143.08554	16.4
144.09335	3.2
145.10106	32.5
146.07254	1.9
147.08035	3.7
147.11638	7.5
149.09645	1.4
149.13263	1.8
153.07031	1.7
153.12718	2.2
155.08548	5.1
156.09338	4.5
157.10106	15.3
158.10881	6.3
159.08069	3.2
159.11696	16.2
161.09595	24.5
161.13228	4.5
163.11237	6.7
163.14847	1.6
165.06955	1.6
167.08548	2.4
169.10091	6.9
170.10878	3.2
171.11667	13.5
173.09610	3.9
173.13240	39.0
175.11154	4.5
175.14835	3.6
179.08562	4.0
181.10106	4.2
183.11639	4.5
185.13312	6.9
187.11168	2.3
187.14830	9.7
189.12764	3.6
191.14279	2.2
193.10179	2.2
194.10870	3.4
195.06573	1.9
195.11714	9.5
197.13261	3.4
199.11127	2.2
199.14813	5.7
201.12674	2.0
201.16359	2.9
206.10268	1.6
209.13258	11.1
210.13979	2.7
210.28531	1.5
213.12708	1.7
213.16367	4.0
213.29361	1.7
221.13303	1.9
222.14072	1.8
223.14694	7.1
225.16330	2.5
227.14319	5.5
238.18675	1.6
239.17886	2.6
241.15836	2.8
241.19554	1.9
255.21002	5.1
264.80963	1.6
265.19482	18.6
283.06012	5.3
283.15689	2.8
283.20532	81.4
284.20847	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.55128	0.2
55.01868	0.2
56.96555	1.4
57.03424	0.3
61.02929	0.3
65.51933	0.2
69.03404	0.6
70.06581	0.4
71.63145	0.4
71.69371	0.2
71.80265	0.2
73.02914	0.4
81.03420	0.2
84.08147	0.3
85.02901	1.1
91.24962	0.2
97.02876	0.6
98.97572	2.4
101.00887	0.3
107.70248	0.2
109.05109	0.2
109.95891	0.3
110.03503	1.9
116.98610	2.3
119.01909	0.8
127.03815	0.2
128.04536	1.4
131.01819	0.2
134.04597	0.2
134.99643	0.9
135.02991	3.8
135.06647	0.3
136.06192	0.6
152.05656	100.0
153.04060	9.0
153.05054	0.2
153.06081	0.6
161.02898	0.3
173.02931	0.2
174.00764	0.3
177.00906	1.0
189.00768	0.2
190.04910	0.3
190.95387	0.3
208.96422	0.2
212.03038	0.3
219.01935	0.9
225.01077	0.2
243.01971	0.4
261.00003	0.4
261.02951	4.4
261.05438	0.3
279.00534	1.0
284.29449	0.3
291.07281	0.2
302.93707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05498	3.7
56.05013	0.7
57.03424	1.1
67.05506	3.1
69.03421	1.7
69.07050	1.3
69.65081	4.9
70.06573	0.8
71.04996	1.1
79.05476	3.0
81.03389	1.5
81.07033	1.6
82.06567	10.1
83.04955	1.5
83.08611	0.7
85.06514	1.1
88.03973	2.7
89.04307	0.6
91.05460	2.3
93.07019	2.6
94.06547	2.7
95.04941	1.5
95.08576	1.0
96.08121	2.0
97.02866	3.0
97.06509	0.8
105.03326	1.2
105.06998	0.9
107.04919	1.7
107.08590	0.9
109.02863	0.7
110.09688	0.8
112.59225	0.6
119.04921	1.9
119.08555	0.9
121.02837	3.8
121.06487	0.9
121.10101	1.1
123.04426	1.1
128.07057	17.1
128.10692	2.2
131.04932	1.5
135.04379	1.4
135.09154	1.0
135.11652	0.6
136.07533	0.7
136.09943	1.3
137.05954	0.8
140.07004	1.0
145.10030	0.9
147.04333	1.8
151.03876	3.3
152.05592	0.7
156.10175	7.3
163.11107	1.4
165.06953	1.2
167.08250	1.7
173.09631	0.9
177.06882	0.8
180.08902	1.9
181.04913	2.1
181.06375	0.9
181.09941	0.7
190.07605	0.9
191.08549	2.1
191.10516	0.9
191.15405	1.0
194.07289	0.9
195.08076	1.1
197.05760	0.9
205.06390	0.7
209.09474	0.8
209.11455	0.8
209.16512	1.3
219.07990	1.9
223.07462	1.2
237.09106	3.4
237.15938	36.8
238.16194	0.7
240.07628	0.7
253.10757	1.8
255.10115	1.7
256.91742	0.7
265.08432	3.9
265.10944	1.0
283.05933	1.9
283.09610	7.9
283.16483	100.0
284.16867	1.9
301.05795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03936	2.9
55.01854	1.8
55.05507	9.3
57.03418	2.1
57.07060	3.8
59.04971	1.1
65.03922	2.7
67.05493	15.6
69.03427	6.7
69.07062	8.8
69.39340	12.6
71.04986	7.7
79.05482	13.7
81.06608	1.7
81.07048	27.8
83.04962	3.9
83.08624	5.7
91.05466	19.1
93.07035	30.9
93.75656	1.1
95.04957	12.4
95.08591	16.5
97.06506	5.8
97.10150	1.6
98.20765	3.0
102.93608	1.1
103.05443	2.5
105.07012	57.2
105.07722	2.9
106.21358	1.3
107.04927	1.6
107.08573	28.3
109.06493	8.7
109.10143	19.9
111.08064	2.6
115.05446	2.8
116.06224	1.5
117.06994	9.2
119.08565	43.4
121.06493	9.1
121.10125	86.5
122.10438	1.5
123.08081	8.1
123.11695	8.1
128.06183	3.2
129.06995	7.0
130.07756	4.6
131.08548	27.5
133.06500	1.9
133.07547	1.3
133.10118	29.7
135.08018	7.2
135.11693	9.9
137.09590	2.5
141.06970	2.1
142.07748	7.6
143.08549	19.0
144.09296	4.1
145.10106	36.6
146.07240	2.7
147.08038	2.9
147.11674	11.7
149.09601	3.0
149.13213	3.1
155.08549	5.3
156.09302	6.4
157.10112	20.6
158.10898	7.4
159.08047	4.0
159.11676	16.4
160.12047	1.6
161.09602	25.2
161.13243	6.9
163.11163	4.0
165.06944	2.7
166.07733	1.9
167.08498	3.2
169.10123	7.2
170.10843	2.3
171.11655	16.8
173.09624	5.6
173.13237	51.9
175.11198	5.5
175.14716	6.6
179.08505	5.1
180.09283	2.0
181.10049	5.3
181.12279	1.3
182.10898	2.6
183.11703	8.8
184.12401	1.4
185.09610	3.7
185.13249	10.2
187.11183	1.9
187.14801	10.1
189.12727	4.3
193.10146	4.2
194.10895	4.8
195.11659	10.1
197.13216	6.9
199.11172	4.3
199.14793	8.3
201.12646	1.8
201.16370	3.7
207.11597	2.0
208.12428	2.6
209.13257	13.4
210.13960	2.3
211.14795	3.3
213.12737	3.7
213.16315	5.8
221.13245	2.7
223.14745	6.7
225.16270	6.0
227.14407	6.1
235.14911	1.7
237.16493	2.1
239.17903	2.8
241.15668	3.0
250.17139	1.8
255.21074	15.6
265.19495	21.0
283.06204	1.5
283.20526	100.0
284.20862	5.2
284.29352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01859	3.1
55.05503	10.8
57.03429	11.8
57.07062	1.7
64.77338	0.9
67.05157	1.2
67.05496	17.8
69.03419	1.8
69.07064	8.0
69.37267	1.0
70.18005	4.4
71.04983	2.4
73.02915	1.6
73.98906	0.9
79.05035	1.9
79.05482	28.3
81.03394	2.8
81.07047	21.7
83.04980	3.5
83.08609	7.2
83.55690	0.9
85.06463	1.1
87.23562	1.0
89.05979	1.2
90.52693	0.9
91.05463	9.8
93.07034	44.1
95.04963	8.7
95.08596	43.5
97.02888	3.9
97.06503	5.7
99.04452	4.3
105.07020	9.8
107.04944	10.8
107.08582	28.4
109.06506	3.2
109.10133	3.6
111.04461	1.8
117.06990	11.1
119.08554	10.3
121.06500	6.8
121.10135	11.9
125.05982	1.9
127.07491	1.2
130.07761	3.7
131.08597	1.1
133.10118	2.6
135.08069	2.4
135.11673	44.6
136.12019	1.5
139.07512	1.9
143.08575	1.5
145.06395	1.4
145.10103	29.2
153.12721	1.6
163.11163	68.3
164.11519	1.3
173.09630	2.1
181.12222	14.4
191.10666	1.0
209.11696	1.2
211.07719	0.9
227.12749	100.0
228.13148	1.7
265.19443	1.4
283.06067	1.8
283.15363	18.6
283.20444	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61448	1.4
53.03936	2.9
54.42040	1.3
55.01859	7.0
55.05287	1.5
55.05504	16.2
57.03430	14.3
57.07049	2.8
67.05498	24.0
68.76221	1.4
69.03413	2.3
69.07050	10.8
70.20246	5.2
70.20673	2.3
71.04998	2.9
79.05482	31.9
81.03396	5.3
81.07049	27.4
82.01070	1.5
83.04970	6.6
83.08600	8.9
84.66517	1.2
85.02919	1.6
91.05468	15.1
93.07034	49.1
95.04967	9.0
95.08596	43.7
95.09213	2.8
97.02885	3.4
97.06499	6.0
99.04433	5.0
105.07020	13.9
107.04942	11.6
107.08587	34.3
109.06508	3.1
109.10149	4.4
111.04441	3.6
111.08074	2.7
115.05473	1.8
117.07010	12.9
119.08577	16.4
119.71156	1.3
121.06494	6.7
121.10134	17.5
123.11739	2.2
125.05958	2.4
129.06992	1.7
130.07716	2.5
131.08516	4.5
133.10112	7.5
135.08087	3.4
135.11674	51.7
136.11949	1.9
139.07478	1.9
143.08498	1.8
145.06451	2.4
145.10104	35.1
149.09528	1.4
155.08501	2.1
163.11162	69.6
164.11548	1.3
165.07011	1.8
173.09637	3.1
181.12190	16.4
183.11728	1.6
191.10692	4.8
209.11621	6.6
211.07440	1.8
227.12749	100.0
228.13126	2.6
261.96307	1.4
279.93381	1.8
283.05963	5.5
283.15335	27.5
283.20541	5.7
284.69263	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01872	23.2
55.05288	3.6
55.05512	45.3
57.03430	36.2
57.07072	4.7
59.04988	3.6
67.05496	44.6
69.07053	15.3
69.37325	5.7
69.37733	21.5
71.04970	7.9
78.23923	2.8
79.05482	58.4
81.03425	14.5
81.07055	48.3
82.07327	3.2
83.01339	21.9
83.04968	29.5
83.08610	25.8
85.02882	5.4
89.06030	15.4
91.05479	41.9
93.07034	70.0
95.04931	18.3
95.08597	49.9
97.02880	8.9
97.06501	10.5
97.10123	3.6
98.20718	5.6
99.04446	7.3
105.07012	22.3
107.04953	16.2
107.08588	37.9
109.06503	13.3
109.10146	7.0
111.04420	11.9
113.49910	3.4
117.07029	20.0
119.08580	21.6
121.06497	12.3
121.10121	26.0
123.08059	12.7
123.11668	3.8
125.05978	4.9
129.06975	4.5
131.04836	3.0
131.08549	10.0
133.05519	2.8
133.08582	6.2
133.10106	9.0
135.08020	6.4
135.11671	56.5
139.07507	2.9
143.08531	4.2
145.10098	46.1
147.08090	4.9
153.12727	6.8
163.11171	100.0
173.09547	8.2
181.12166	17.7
191.10667	10.8
209.11691	16.5
227.12761	85.0
283.15338	52.7
283.20392	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01860	5.7
55.05495	15.3
57.03436	15.0
57.07056	4.1
67.05149	2.3
67.05492	29.5
69.03416	3.0
69.07043	11.5
69.35686	2.2
71.04987	4.1
71.60580	3.7
71.60936	2.3
79.00537	2.3
79.05479	37.7
81.03390	7.4
81.07048	32.1
83.04975	12.0
83.08597	11.7
85.02856	2.4
86.53268	2.0
89.06006	2.9
90.80737	1.9
91.05454	16.6
93.07029	47.1
95.04963	9.9
95.08585	41.6
97.02898	5.2
97.06507	7.0
99.04463	3.0
105.07021	14.6
107.04945	11.3
107.08580	33.3
108.15150	2.3
109.06518	5.3
109.10137	7.0
111.04461	2.4
117.06997	15.4
118.74284	1.9
119.08572	17.9
121.02841	2.1
121.06496	7.9
121.10116	23.4
123.08071	2.8
125.05978	3.7
129.06947	2.3
130.07774	4.5
131.08536	9.2
133.10091	8.9
135.08092	4.2
135.11679	56.2
135.93407	2.2
143.08582	2.5
145.06425	2.4
145.10107	40.9
147.11629	3.0
155.08511	3.0
157.10123	3.3
163.11154	74.6
173.09605	5.7
174.33002	2.2
181.12225	17.4
182.12355	3.1
191.10660	4.6
209.11710	6.4
227.12737	100.0
228.13145	2.7
283.06140	10.5
283.09128	2.0
283.15280	38.7
283.20148	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01854	7.1
55.05502	12.4
57.03432	13.5
57.07053	1.9
57.35145	1.4
64.09098	1.2
65.03925	1.8
67.05495	22.9
67.12173	1.3
67.48979	1.1
69.03399	2.5
69.07059	10.3
69.80091	7.8
71.04997	3.0
71.58059	1.1
79.05485	33.2
81.03402	4.2
81.07047	23.9
83.04977	7.6
83.08611	9.5
85.06538	2.0
91.05456	11.4
93.07032	48.1
94.07419	1.3
95.04961	11.1
95.08596	41.4
97.02872	6.2
97.06516	5.5
97.10115	1.7
99.04435	5.2
103.05476	1.5
105.07028	12.9
107.04922	11.1
107.08575	33.3
109.06498	2.7
109.10138	4.2
111.04434	4.2
111.08044	2.6
113.05973	1.3
117.07034	10.6
119.08559	15.9
121.06480	6.2
121.10117	18.5
123.04402	1.2
125.05962	4.2
130.07755	2.6
131.08557	2.2
133.10139	3.5
135.08051	2.1
135.11673	54.7
139.07535	2.4
145.06494	2.0
145.10106	35.4
149.09683	1.4
153.12714	5.1
155.08524	1.4
157.10115	1.9
163.11160	78.3
164.11525	2.0
173.09618	2.6
181.12202	18.2
209.11646	2.6
227.12743	100.0
228.13153	2.7
283.15347	24.9
283.20383	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01861	7.4
55.05498	15.7
57.03432	13.6
57.07063	2.1
57.20264	1.2
65.03908	1.8
65.29714	1.2
67.05493	27.8
67.61357	1.3
69.03407	3.0
69.07056	10.0
71.04973	4.6
71.97015	1.4
79.05486	35.2
81.03389	4.8
81.07050	28.1
83.01336	1.3
83.04974	6.9
83.08614	10.6
89.06001	3.0
91.05477	14.3
93.07033	49.7
95.04954	12.2
95.08592	50.8
97.02307	1.4
97.02864	7.9
97.06499	7.2
98.21465	3.8
99.04431	7.4
105.07004	11.2
107.04945	11.6
107.08578	34.5
109.06485	4.9
109.10144	3.5
111.04424	4.7
111.08063	3.2
117.07001	16.1
119.08558	11.5
121.06468	6.9
121.10133	15.5
125.05972	4.4
130.07745	2.6
133.10124	3.5
135.08006	2.7
135.11676	58.9
139.07474	1.7
143.08536	1.7
145.10109	34.0
149.09654	1.4
153.12633	3.4
159.11636	1.6
163.11162	82.4
164.11494	1.8
173.09610	2.3
181.12193	20.7
209.11778	2.1
227.12749	100.0
228.13091	2.7
229.56461	2.3
255.15881	2.6
283.05753	2.1
283.15375	27.3
283.20346	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74022	1.3
53.03928	3.2
55.01860	6.4
55.05505	17.0
57.03438	13.5
57.07072	3.8
65.03924	2.6
67.05489	23.8
68.99774	1.4
69.03396	4.1
69.07062	10.8
69.50667	3.6
69.51081	11.3
70.06567	3.8
71.04974	5.2
73.02908	1.9
79.05480	35.3
81.03395	7.6
81.06602	2.7
81.07048	29.0
83.04966	7.9
83.08611	14.7
85.02898	2.1
85.06516	2.4
85.84286	1.4
87.65858	1.6
91.05470	28.1
92.44917	1.3
93.06432	2.2
93.07032	49.1
95.04971	9.4
95.08595	51.5
97.02886	11.6
97.06505	8.2
99.04434	5.2
103.05437	5.1
105.03339	3.7
105.07016	11.8
106.94988	1.3
107.04926	13.5
107.08586	31.6
109.02907	1.4
109.06496	6.0
109.10165	6.0
111.04387	3.5
111.08031	2.4
115.05442	2.1
116.06262	1.7
117.06991	14.1
119.08591	17.2
121.02876	12.9
121.06490	10.9
121.10130	18.0
125.05989	5.5
127.03837	1.8
129.06993	3.0
130.07770	3.3
131.04959	2.7
131.08600	3.5
133.02878	2.1
133.10121	5.3
135.11667	50.9
139.07527	4.2
141.06978	2.8
143.08582	4.2
145.06470	3.2
145.10110	32.8
147.04390	2.2
151.03917	3.8
153.05486	1.6
153.12680	2.9
155.08524	3.2
163.11159	78.8
165.07025	5.5
169.06468	1.6
171.04353	2.5
173.09590	2.2
177.06995	1.7
179.03366	4.3
181.04852	1.6
181.06384	2.9
181.12193	17.9
191.10611	2.8
194.07396	1.7
195.07980	3.1
197.06079	2.2
201.00745	2.4
209.09720	2.2
209.11668	3.2
211.07394	2.1
223.07431	2.2
225.05325	2.0
225.09164	1.7
227.03352	4.5
227.12753	100.0
228.13071	3.0
237.09111	5.2
240.04144	4.7
240.11427	3.0
241.04861	2.9
255.02811	12.3
255.06496	1.8
255.10255	2.3
268.03711	4.8
268.07269	2.2
269.04330	2.1
283.02356	11.7
283.05951	26.1
283.09601	13.7
283.15359	22.5
283.20291	2.7
284.03027	7.0
284.06335	2.3
284.13913	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.3
55.01856	7.4
55.05501	16.2
57.03429	15.7
57.07050	3.6
59.21811	1.7
67.05495	23.4
69.03424	2.8
69.07055	12.8
70.71101	1.8
71.04969	3.9
71.65473	2.0
71.65919	2.8
73.02906	1.9
79.05474	36.9
81.03395	3.1
81.07036	24.8
83.04978	9.8
83.08608	11.6
90.97742	1.5
91.05464	14.3
93.07034	54.1
95.04958	11.8
95.08006	3.5
95.08586	44.5
97.02870	7.7
97.06486	5.9
97.10125	2.1
99.04474	3.1
101.01933	1.6
105.07009	12.0
107.04942	12.3
107.07914	2.8
107.08576	37.1
107.53748	1.6
109.06485	2.9
109.10126	3.4
111.04436	4.1
117.06993	13.7
119.08573	14.1
121.06480	6.4
121.10137	14.0
125.05979	2.2
130.07726	2.4
131.08545	3.5
133.10080	4.2
135.08026	4.0
135.11673	58.6
139.07564	2.6
143.08516	3.8
144.47472	1.6
145.10095	35.6
153.12634	1.9
155.08498	2.2
157.10115	2.4
163.11159	78.0
171.11699	2.1
173.09622	2.4
181.12227	19.4
209.11646	3.4
226.96140	2.0
227.12738	100.0
228.13074	4.3
265.19269	1.9
283.05963	5.3
283.15280	24.4
283.20496	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	281.2471
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.01867	7.6
55.05502	66.8
57.03421	16.9
57.07061	39.3
59.84232	8.4
61.57349	9.0
65.98963	8.6
67.05492	100.0
69.07054	88.7
71.08626	25.0
71.65474	7.1
71.65874	8.4
79.05476	61.9
81.03388	9.4
81.07047	99.5
83.04975	20.3
83.08620	66.7
84.39536	7.9
85.06553	13.2
85.10168	11.8
87.09026	8.3
91.05462	54.9
93.07027	66.7
95.04964	17.3
95.08595	72.9
96.30053	9.8
97.06496	23.6
97.10148	55.4
99.08049	9.3
100.07611	11.0
105.07030	33.5
107.04975	13.0
107.08566	26.8
109.06488	16.8
109.10147	36.8
111.08112	8.7
111.11726	25.0
114.09148	12.9
119.08559	22.9
121.06468	8.9
121.10157	23.1
123.11684	11.5
129.07047	13.4
133.10095	20.9
135.11697	22.4
147.11687	37.2
149.13229	11.9
161.09607	9.5
161.13260	15.3
171.08171	9.6
171.11678	18.1
173.21382	8.3
178.48643	7.8
197.13194	10.4
207.13745	9.5
213.12863	11.7
235.11218	18.0
245.22626	20.9
247.24312	15.0
263.23828	14.2
281.11697	23.1
281.18994	24.7
282.27817	50.0
283.03122	8.9
299.06119	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	282.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27673	0.4
55.01866	0.5
55.98508	0.4
56.05030	0.4
57.03421	0.8
69.07054	3.8
69.91930	2.3
70.06577	0.7
71.04947	0.4
77.34785	0.4
84.08125	0.5
88.03986	0.8
94.04031	1.4
97.02885	1.9
97.06502	2.0
102.05487	0.4
103.05463	2.0
107.04942	1.2
111.04481	0.4
119.03529	1.6
120.08077	1.0
121.02859	0.8
121.08408	1.1
123.04367	0.8
129.09116	0.6
131.04916	1.6
134.09567	0.7
135.04379	0.6
136.06165	100.0
137.02313	0.6
137.04660	2.1
137.05684	0.7
137.06686	2.1
140.07074	0.5
145.06467	0.5
147.04396	0.5
148.07584	0.5
149.05978	1.2
149.08348	0.4
150.07733	1.8
162.04111	0.7
163.03789	3.0
166.08725	0.5
168.06519	0.4
175.03885	1.0
177.05423	1.6
182.01895	0.4
191.03372	3.6
192.10124	0.9
193.04980	0.9
210.10741	0.4
221.04329	0.6
236.11320	0.5
237.03912	1.4
250.12959	22.1
251.13422	0.5
265.03394	1.2
267.99966	0.4
282.09695	2.6
282.15567	43.0
282.22141	1.3
283.15933	0.9
284.03152	0.9
290.59543	0.5
300.06177	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	283.0591
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
64.78977	0.3
68.84739	0.5
79.05474	0.4
80.16203	0.3
81.07042	0.4
88.24007	0.4
109.10112	0.4
115.05435	0.8
121.02850	4.4
128.06242	1.3
129.03406	0.4
131.04956	0.5
152.06203	0.4
153.07028	0.5
155.04872	0.5
156.05708	1.7
157.02802	0.7
171.04440	1.8
181.06429	0.5
184.05174	10.6
187.04086	0.3
199.03873	0.6
211.03896	1.8
212.04651	4.9
213.05505	0.4
227.03358	3.4
237.05371	0.4
239.03346	0.7
240.04114	5.9
241.04887	1.1
255.02853	8.7
255.06563	0.7
256.03287	0.8
267.02933	1.0
268.03629	81.8
269.04114	4.3
283.02460	7.9
283.05960	100.0
284.03036	2.7
284.06354	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0597
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
51.58350	0.2
54.21404	0.2
54.94897	0.2
61.98154	0.2
67.05457	0.3
68.99768	0.5
69.07068	0.2
69.57812	0.8
69.58232	1.0
79.05477	0.4
81.07001	0.2
81.99174	0.2
89.03889	1.6
89.15643	0.2
91.05463	0.2
93.06999	0.4
97.06504	1.2
103.05465	0.3
115.05424	1.0
117.03365	0.3
121.02826	0.5
129.07018	1.1
131.08524	0.2
137.02315	0.3
141.06960	6.5
145.06447	0.2
145.10114	0.2
147.04433	0.2
152.06207	0.3
153.06944	0.3
155.04868	1.4
157.06441	0.7
163.11081	0.2
165.06836	0.2
168.05666	0.2
169.05093	0.4
169.06461	5.5
170.06837	0.2
181.06461	1.0
183.04382	3.4
185.05901	0.3
187.07426	0.4
188.08327	0.4
197.05957	11.4
198.06345	0.4
199.07593	0.4
209.05939	0.3
224.04639	0.9
225.05428	40.7
226.05750	1.4
227.06958	2.5
227.12578	0.2
228.04097	0.3
237.05443	0.3
253.04922	31.0
254.05353	1.3
255.02933	0.4
255.06422	0.5
273.74258	0.2
283.05966	100.0
284.06335	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.32507	2.0
53.03936	10.6
55.01865	2.6
55.05511	33.2
57.03193	3.3
57.03432	31.6
57.07072	5.0
65.03930	3.6
67.05497	80.1
69.07065	17.7
70.90755	7.4
71.04955	3.8
71.08601	2.5
73.06546	3.1
79.05025	5.1
79.05486	100.0
81.03409	14.9
81.06609	4.3
81.07050	67.4
83.04974	34.3
83.08602	12.7
85.06524	2.7
88.19329	2.2
91.05467	68.8
93.06432	3.8
93.07032	68.6
95.04961	31.3
95.08009	3.7
95.08591	43.4
97.06522	7.5
97.10144	7.3
105.07018	56.4
107.04944	5.6
107.08575	21.8
109.06516	12.8
109.10155	10.5
117.07012	8.9
119.08559	31.3
121.06474	3.7
121.10129	8.1
123.08039	8.3
127.07531	2.9
128.06166	3.4
129.06982	22.3
131.08533	4.5
133.10110	10.7
135.11710	4.6
141.06973	3.0
143.08553	8.4
145.10121	12.9
147.08047	3.8
147.11670	41.9
161.09639	5.6
161.13249	16.4
171.11662	31.2
189.12749	7.7
207.13820	12.0
238.88954	2.4
281.14999	3.1
281.17551	35.5
282.28030	2.4
301.69760	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.10382	1.3
53.03947	10.2
55.01855	5.0
55.05506	32.5
57.03434	27.7
57.07053	3.6
65.03922	2.3
67.05499	82.4
69.07067	17.5
69.41448	1.5
71.04984	3.0
71.51879	3.3
79.05486	100.0
81.03405	12.3
81.07049	62.4
83.04973	30.8
83.08623	9.7
85.06531	3.6
91.05466	68.5
92.59286	1.4
93.07037	68.3
95.04957	26.6
95.08011	3.1
95.08595	39.8
97.02866	2.4
97.06514	4.4
97.10170	7.6
99.08085	1.4
105.07018	48.1
106.43472	1.4
107.04961	8.0
107.08593	20.2
109.06495	9.5
109.10166	9.0
109.19625	1.7
114.78867	1.6
117.06999	10.7
119.08566	30.1
121.06497	4.3
121.10097	4.7
123.08057	8.9
127.07507	1.9
128.06248	2.0
129.07004	15.3
131.08533	3.3
133.06474	1.8
133.10103	14.7
137.12253	1.6
143.08548	8.6
145.10129	11.6
147.08017	2.7
147.11681	35.3
161.09575	5.2
161.13219	16.8
171.11670	28.8
189.12741	9.2
193.09953	1.8
207.12102	2.0
207.13719	9.1
215.76015	1.7
235.14932	1.8
281.17435	34.4
299.05954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	10.0
55.01861	4.2
55.05505	35.8
56.16103	1.3
57.03428	29.0
57.07066	5.8
57.22918	1.4
65.03932	2.9
67.05497	88.0
69.07056	22.3
70.05820	3.7
70.06232	6.3
71.04975	2.8
71.08616	4.3
73.06554	1.9
77.03915	1.6
79.05484	100.0
81.03416	14.9
81.07047	67.1
81.07536	2.1
83.04970	37.7
83.08615	10.4
85.06538	4.0
91.05468	69.0
93.07032	71.4
93.90131	1.5
95.04958	27.4
95.05520	2.6
95.08596	43.7
97.06520	7.5
97.10150	6.2
99.08104	2.2
105.07014	49.1
107.04977	8.0
107.08572	24.6
109.06506	9.0
109.10139	10.5
111.08097	1.9
117.06998	12.5
119.08565	35.8
121.06503	4.3
121.10144	5.9
123.08062	8.7
125.09647	2.7
128.06207	4.1
129.06995	18.6
130.07816	1.8
131.08543	4.9
131.95601	1.4
133.10106	15.5
137.07805	1.4
137.09624	1.5
143.08502	10.6
145.10117	10.2
146.39308	1.6
147.08032	2.2
147.11665	37.2
159.11644	2.1
161.09624	5.4
161.13235	15.3
163.11081	2.1
171.11678	27.0
179.08505	2.0
189.12726	8.8
207.08000	2.0
207.13789	12.1
209.09647	2.8
225.09077	4.1
235.07599	1.6
250.91664	2.0
253.08655	6.3
281.08051	8.5
281.12558	1.9
281.17422	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.7
55.01855	6.7
55.05503	41.7
57.03431	28.9
57.07054	2.6
59.04985	1.6
60.10129	1.5
65.03919	5.2
67.05495	95.7
69.03422	2.9
69.07063	21.1
71.04974	4.0
71.61954	2.9
71.67780	1.5
73.06546	2.0
79.05484	100.0
81.03406	15.0
81.07049	76.4
83.04967	36.3
83.08619	10.3
85.02909	2.6
85.06522	4.3
91.05466	72.5
93.07033	74.4
95.04961	31.4
95.08593	53.7
97.02869	3.4
97.06528	9.4
97.10157	7.3
99.08106	2.0
105.04510	2.6
105.07021	59.6
105.07732	3.2
107.04939	9.6
107.08583	29.5
109.06495	9.4
109.10114	11.4
111.08080	1.9
117.07001	11.6
119.08572	34.0
121.06461	3.9
121.10120	6.8
123.08067	9.9
123.11663	3.0
125.09581	2.7
127.07529	3.6
128.06194	4.3
129.06985	23.6
131.08540	6.1
133.10115	19.7
135.08043	1.8
135.11681	4.5
141.06987	2.0
143.08557	13.1
145.10074	13.4
147.04353	2.0
147.08063	4.2
147.11656	39.9
155.08524	2.5
159.11705	3.3
161.09628	7.1
161.13208	17.3
163.11153	2.2
165.06979	2.2
169.10121	4.4
171.11662	26.5
178.07707	2.0
179.08534	2.3
181.09947	1.7
189.12711	10.8
191.08606	1.7
197.09518	1.7
206.11160	2.0
207.11807	3.6
207.13776	13.6
209.09535	2.4
225.09090	4.3
225.12692	1.6
253.08583	10.7
263.17853	2.7
281.04404	6.0
281.08047	9.2
281.11316	3.8
281.14471	3.3
281.17282	37.1
299.06049	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02363	1.8
53.03928	9.0
54.23989	1.4
55.01848	5.5
55.05245	2.0
55.05500	33.3
56.96542	1.2
57.03164	1.9
57.03428	25.6
57.03701	1.1
57.07057	2.0
65.03906	4.1
67.05494	81.6
68.97884	1.2
69.03420	2.4
69.07066	14.2
70.18021	6.2
73.06519	3.1
79.05482	100.0
81.03410	13.9
81.07041	63.4
83.04967	34.0
83.08605	7.9
85.06535	3.3
91.05466	72.8
93.07027	70.1
95.04950	26.9
95.08591	44.6
95.09194	2.1
97.02864	2.9
97.06476	6.1
97.10125	5.8
97.70159	1.5
98.97572	1.6
101.05922	1.8
103.05367	1.8
105.04485	1.9
105.07012	53.4
105.40923	1.2
107.04280	1.9
107.04916	8.3
107.08572	22.8
109.06509	9.4
109.10112	7.6
111.08067	1.8
115.05423	1.4
117.06995	8.1
119.07747	2.1
119.08559	32.4
119.33521	1.3
121.06454	4.1
121.10125	6.4
123.08050	7.9
127.07536	1.6
128.06189	2.8
129.06984	19.8
130.07762	1.4
131.08554	2.1
133.06444	2.7
133.10101	13.1
137.05940	2.3
141.06946	1.9
142.07755	1.7
143.08537	9.9
145.10110	10.5
147.07990	3.5
147.11670	38.2
156.09317	1.9
161.09596	5.3
161.13246	16.4
171.11656	28.3
179.14104	1.5
189.12730	8.6
207.13773	10.5
231.08432	1.4
280.55249	1.5
281.04343	3.6
281.07950	4.6
281.17429	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47958	0.1
55.05499	0.1
56.05025	0.9
57.03418	0.1
57.10336	0.1
60.06123	0.1
67.02934	0.2
67.05453	0.2
69.03401	0.2
69.07051	0.2
69.07433	0.1
71.58802	0.1
73.04726	0.2
74.06070	1.6
74.06461	0.2
79.05459	0.2
81.07031	0.4
84.04483	0.4
84.08120	0.2
91.05417	0.2
94.04063	0.3
95.04937	0.1
95.08585	0.2
102.05534	1.1
103.05403	0.1
105.06998	0.2
107.04923	0.6
109.06499	0.2
111.04420	0.2
117.07021	0.1
119.03526	4.6
119.04879	0.3
120.06560	5.7
120.07960	0.2
123.07943	0.2
131.04865	0.2
133.06425	0.2
135.04379	0.4
136.06160	100.0
137.02293	0.2
137.04558	3.9
137.06644	0.7
147.04381	0.3
148.07535	0.3
149.05922	0.1
149.08337	0.2
150.09102	0.1
152.10640	0.3
162.04080	53.1
163.04436	0.7
175.03876	0.2
179.08546	0.1
192.10146	0.5
203.03294	0.1
205.04991	0.1
225.09036	0.3
235.07733	0.1
253.08636	0.7
263.09039	0.2
266.99829	0.3
267.65741	0.1
268.10458	0.2
281.09918	8.5
282.09708	0.9
283.03088	0.3
299.05951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33580	1.3
53.03934	9.3
53.04183	1.0
53.73978	1.4
53.75160	1.3
54.37564	1.2
55.01857	4.6
55.05240	2.2
55.05502	34.5
55.75662	1.3
55.81221	1.2
56.96546	3.2
57.03163	2.4
57.03428	29.5
57.07060	3.0
59.04979	1.6
62.57234	1.5
63.06593	1.3
65.03918	4.4
67.05494	87.9
69.03413	4.2
69.07053	17.3
70.75164	1.3
71.04980	6.1
71.08647	1.7
73.06531	2.8
76.66305	1.2
79.05478	100.0
81.03400	18.2
81.07043	72.8
83.04968	37.2
83.08597	11.9
84.94567	1.2
85.02882	2.3
85.06522	4.9
91.05460	76.4
93.07029	73.7
95.04960	32.2
95.08010	2.9
95.08591	43.7
97.02876	4.1
97.06512	10.1
97.10152	7.3
103.05439	2.1
105.04552	2.4
105.07012	49.8
107.04961	9.2
107.08582	25.9
109.06502	10.0
109.10152	13.8
111.08095	2.4
115.05446	2.0
117.07005	11.1
119.04885	2.0
119.08564	32.2
119.22778	1.2
121.06466	4.1
121.10152	7.8
121.10901	1.3
123.04409	4.5
123.08065	8.4
123.11700	1.6
127.07426	1.6
128.06204	4.2
129.06985	17.4
131.08540	3.2
133.06487	2.3
133.10095	12.9
135.11636	4.2
137.05960	5.2
137.09543	2.0
143.08530	9.1
145.10080	10.0
147.08011	4.6
147.11665	38.1
149.02310	1.8
153.06912	1.3
161.09557	5.8
161.13255	14.7
165.06920	2.8
165.09070	1.4
171.11662	32.5
178.07555	1.4
179.08577	2.4
179.14323	1.5
181.10115	2.2
189.12714	12.4
191.08473	1.6
197.09491	1.4
200.81834	1.5
207.13785	11.9
225.09137	1.8
229.64584	1.6
235.11237	1.8
253.08482	5.2
266.99957	2.3
274.11667	1.5
281.04874	2.7
281.08005	10.1
281.11642	3.5
281.14536	1.9
281.17444	35.1
299.06213	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	9.1
55.01866	6.6
55.05501	38.0
57.03425	31.0
57.07041	2.5
65.03925	5.2
67.05492	89.8
69.03428	3.1
69.07053	17.8
69.23742	1.3
69.93552	8.6
71.04970	2.7
73.06559	2.2
79.05479	100.0
81.03402	18.0
81.07043	72.7
83.04967	39.6
83.08604	8.0
85.06490	2.9
91.05463	71.0
93.07029	83.9
95.04951	29.9
95.08587	44.4
97.02840	2.1
97.06507	8.5
97.10147	5.3
98.20696	2.2
99.08057	1.6
103.05422	2.0
105.07008	48.5
107.04910	7.9
107.08584	26.3
109.02896	1.6
109.06477	8.0
109.10157	8.6
111.08094	1.4
113.08144	1.7
115.05460	2.2
117.06989	10.8
119.08562	36.4
121.06487	5.1
121.10137	4.9
123.08047	8.5
127.07507	2.1
128.06194	3.0
129.06979	20.2
130.07736	1.8
131.08568	3.8
133.06375	1.9
133.10104	16.3
135.08032	1.8
135.11662	3.2
143.08533	8.9
145.10074	13.6
147.08041	3.1
147.11652	41.6
149.27461	1.8
159.11742	1.8
161.09627	6.0
161.13249	13.3
165.07027	2.1
171.11691	28.0
189.12723	7.5
207.06467	1.7
207.13751	12.0
234.88446	1.6
253.08543	2.0
281.08081	4.6
281.17426	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	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.0
53.08429	0.6
55.05504	7.8
57.07077	1.6
62.79357	0.6
65.03936	2.4
67.05495	100.0
68.05826	1.0
69.07060	7.7
69.73837	0.5
71.04982	1.2
79.05482	11.8
81.07045	96.8
82.07370	1.6
83.04963	0.8
83.08601	5.1
85.06524	1.4
91.05450	3.2
93.07038	11.6
95.04999	0.7
95.08592	75.1
96.08919	1.6
97.06489	1.4
97.10148	2.2
97.57375	0.6
105.06992	3.1
107.08573	7.2
109.10138	25.8
109.10886	1.5
110.10483	0.6
111.11697	0.7
117.06957	1.4
119.08565	2.9
121.06454	0.6
121.10124	6.9
123.08047	1.4
123.11697	15.9
131.08537	4.4
133.10107	2.8
135.08054	1.3
135.11684	4.1
137.09605	0.9
137.13239	9.5
145.10101	2.1
147.11670	2.5
149.02307	2.5
149.09587	2.2
149.13258	3.5
151.11195	0.9
151.14803	4.0
159.11671	2.7
161.13182	1.2
163.11150	1.9
163.14786	1.5
164.36517	0.6
165.12738	0.7
165.16371	1.1
167.10637	0.9
173.13240	6.4
177.12755	1.6
177.16331	0.7
179.14255	0.8
181.12277	1.4
187.14745	2.0
191.14244	2.0
195.13779	2.9
205.15898	0.9
209.15344	2.9
223.16866	2.5
227.00729	0.7
237.18391	0.9
243.20943	2.2
261.21960	1.6
279.20258	0.9
279.23169	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.05500	6.7
55.33395	0.8
57.07052	1.9
65.03920	1.9
67.05495	95.3
69.07057	7.5
69.89021	2.0
69.89435	2.8
79.05480	9.3
81.07045	100.0
82.07359	1.3
83.08610	4.7
83.09012	0.8
84.32343	0.8
90.29993	0.7
91.05447	2.9
93.07031	7.7
95.08591	73.6
96.08929	0.8
97.06505	0.9
97.10147	3.5
105.07005	2.1
107.08578	5.7
109.10138	46.9
111.08059	0.8
111.11668	1.2
119.08547	2.6
121.10121	5.7
123.08076	1.2
123.11688	32.5
131.08530	1.9
133.10109	2.3
135.08005	1.2
135.11661	3.7
137.13219	11.5
141.09023	0.8
145.10080	1.3
147.11655	3.0
149.02299	3.9
149.13226	3.0
151.14778	3.1
153.09084	1.0
159.11671	2.6
161.13246	2.2
163.11154	1.1
163.14742	1.5
165.12785	1.4
173.13258	3.3
177.12733	1.8
177.16280	1.0
179.14273	0.9
181.12262	1.1
184.06151	0.8
187.14818	1.6
191.14352	1.7
195.13747	1.5
209.15285	2.6
223.16867	3.3
237.18480	1.3
243.21049	1.6
261.22079	3.7
279.23154	41.2
280.23523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64937	0.6
53.03943	2.5
54.70684	0.6
55.05504	15.4
55.25653	0.7
57.03427	0.9
57.07063	14.1
65.03932	2.2
66.18246	0.7
67.05495	37.5
68.82188	0.7
69.03441	1.2
69.07059	26.2
69.76544	0.6
70.03239	3.4
71.04987	1.2
71.08629	3.3
79.05478	15.0
81.07045	100.0
82.07381	0.9
83.04966	1.2
83.08607	13.3
85.02878	1.8
85.06525	3.7
91.05473	4.6
93.07033	14.8
95.04969	2.3
95.08592	88.5
96.08910	0.8
97.02887	1.2
97.06532	1.6
97.10156	12.6
99.08083	1.9
105.07025	2.2
107.08582	10.9
108.83080	0.7
109.06460	0.9
109.10142	36.3
110.78808	0.7
111.11698	6.6
119.08583	1.3
121.02856	2.3
121.10107	8.9
123.11687	14.6
125.13225	0.9
131.08549	1.0
133.10121	0.9
135.11678	8.6
137.13237	7.3
145.10124	0.7
147.04411	3.7
149.02321	52.3
149.13242	7.3
150.02667	1.0
151.14833	3.4
152.55353	0.8
153.12779	1.0
159.11823	0.7
163.14784	3.4
165.16365	2.0
167.03452	1.5
167.06963	0.7
167.72412	0.7
177.06972	0.7
177.16354	1.7
191.17995	1.0
201.04755	0.8
202.99620	0.7
205.19489	1.1
219.05717	2.8
241.45825	0.8
261.18457	0.9
261.22137	1.4
261.25809	3.7
279.09149	4.6
279.13571	1.3
279.16266	0.9
279.23572	1.5
279.26752	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.97463	0.8
53.03924	1.6
55.05505	11.3
57.03422	1.2
57.07063	7.2
65.03923	3.7
67.05496	96.9
69.03424	0.8
69.07066	9.9
70.74775	1.8
71.04985	1.6
71.08581	0.8
79.05482	17.4
81.07046	100.0
82.07367	1.1
83.04948	1.2
83.08605	6.4
85.06515	1.9
91.05468	5.3
93.07029	13.9
95.04935	1.2
95.08593	81.3
97.06506	1.6
97.10123	3.0
99.08084	0.8
105.07019	4.9
106.19260	0.7
107.08581	9.6
109.06496	1.1
109.10139	44.9
110.10495	1.1
111.11716	0.8
113.09604	1.6
117.06964	1.2
119.08574	4.4
121.02850	1.8
121.10132	8.4
123.08053	1.8
123.11687	24.4
131.08549	5.1
133.10103	3.2
135.08083	0.8
135.11662	4.8
137.09613	0.9
137.13225	10.2
145.10088	2.5
147.11658	2.8
149.02321	29.0
149.09569	2.0
149.13268	3.7
150.02654	1.2
151.11223	1.5
151.14795	2.3
159.11646	2.9
161.13257	2.5
163.11108	2.1
163.14818	2.5
165.12692	1.2
165.16362	1.0
173.13229	3.1
177.12613	1.7
179.14247	1.4
181.12215	1.5
187.14822	3.7
191.14238	1.7
195.13745	3.1
203.79243	0.9
205.15829	1.4
209.15312	2.4
223.16931	3.0
224.75862	0.7
228.00525	0.7
237.18405	1.6
243.21025	3.2
261.22055	3.9
279.08688	1.2
279.19666	2.9
279.23141	31.2
280.23456	1.2
280.26297	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03923	1.2
55.01863	0.8
55.05500	10.4
57.03421	1.6
57.07067	7.1
62.94437	0.7
63.79967	0.6
65.03922	2.9
67.05492	94.9
69.07057	10.3
69.76678	4.9
71.04980	1.6
71.08624	1.2
71.14274	0.6
75.79321	0.7
76.51056	0.6
79.05476	15.2
80.05811	0.8
81.03416	0.8
81.07042	100.0
82.07380	1.5
83.04979	1.8
83.08617	5.2
83.64705	0.8
83.83780	0.6
85.06524	1.2
86.46490	0.8
91.05452	5.5
93.07027	13.6
95.04953	2.0
95.08589	82.4
97.06523	1.7
97.10137	3.8
98.20825	1.5
99.08103	0.9
105.07014	4.8
107.04919	0.9
107.08581	10.8
108.08889	0.9
109.06511	1.1
109.10136	43.5
110.10512	0.8
111.08060	1.4
111.11684	0.9
117.06999	1.8
119.08559	5.0
121.02839	2.6
121.10115	9.7
123.08042	1.2
123.11686	21.2
131.08559	4.6
133.10088	3.4
135.08017	1.7
135.11653	5.4
137.09645	1.8
137.13220	10.1
139.11128	1.3
141.09042	0.8
145.10094	4.4
147.04347	1.6
147.11667	2.8
149.02315	43.9
149.09599	1.5
149.13257	2.9
150.02589	1.0
151.11087	1.3
151.14838	3.2
153.12679	0.7
157.10146	0.8
158.03290	1.4
159.11659	2.8
161.13261	2.3
163.11198	1.4
163.14816	1.2
165.12749	1.0
167.03484	0.8
167.10724	1.7
169.10059	0.8
173.13275	2.9
173.52495	0.8
175.14854	1.9
177.12749	2.0
177.16396	1.0
179.14316	0.8
181.12207	1.3
185.96191	0.8
187.14772	3.7
191.14291	1.6
195.13792	1.7
201.16444	1.4
205.15839	1.8
209.13321	1.0
209.15331	2.5
219.05658	1.3
219.20949	1.1
223.14822	1.4
223.16910	2.1
226.35912	0.8
237.18533	1.4
243.21062	2.2
261.22150	3.5
278.63879	0.9
279.09207	2.5
279.13388	1.7
279.23212	33.8
280.23514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
53.33979	2.1
55.01856	2.7
55.05489	6.4
57.03430	24.2
57.07070	13.7
57.21614	1.8
59.04981	3.1
61.02906	6.9
64.50716	1.7
65.03938	2.9
66.33514	1.9
67.05493	11.4
69.03413	29.7
69.07035	4.3
70.47159	6.8
71.01353	4.3
71.04974	18.8
73.02907	24.8
75.04454	11.4
79.05466	5.9
81.03397	4.7
81.07037	14.2
83.04962	22.1
85.02895	100.0
85.06506	2.4
87.04429	3.7
91.05510	5.2
93.07019	3.7
95.04962	11.7
95.08592	10.3
97.02883	29.2
97.06488	2.4
99.04462	4.1
105.06999	5.6
107.04881	1.8
107.08569	4.4
109.02901	3.1
109.10128	5.5
111.04448	13.8
113.02366	5.3
113.05991	12.2
115.03911	23.0
119.08569	3.8
121.02823	4.6
123.04379	2.4
129.05455	23.8
131.08597	2.0
133.04880	2.5
139.03894	3.4
145.10138	2.1
146.29347	1.8
147.04402	7.5
147.06470	12.4
149.02322	81.6
149.09586	2.2
155.00688	1.9
157.04970	5.6
171.06523	4.8
189.33490	2.4
191.07130	2.1
213.05585	2.2
219.05717	1.9
225.07489	12.7
243.08681	4.6
261.09702	2.5
279.08527	4.4
279.11163	2.9
279.13593	3.9
279.19611	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	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01874	1.6
55.05505	40.5
57.07071	10.1
58.99575	19.6
61.01129	1.2
67.05502	2.2
67.44725	1.0
68.05016	1.2
69.03415	2.1
69.74151	1.8
69.74566	5.0
70.06628	1.1
73.01115	1.5
76.02217	7.2
76.03991	4.4
79.05482	1.7
81.07040	3.6
83.04985	1.3
83.08105	1.7
83.08606	31.8
85.02895	3.7
86.06067	1.2
86.09686	1.1
86.99037	18.2
88.02212	3.6
91.05467	6.0
93.03422	1.0
93.07033	1.3
95.04943	1.3
95.08603	2.8
97.02882	8.4
99.02630	1.2
101.09672	1.8
103.05501	1.0
105.07053	1.0
107.04973	1.7
109.06571	1.0
109.10130	1.1
111.04442	1.2
115.05730	1.2
116.01660	61.1
119.04935	10.1
120.08120	4.0
121.02892	4.7
124.07673	0.9
129.07309	1.0
133.06487	1.1
144.01128	30.2
145.06496	1.5
147.04385	52.1
149.02321	74.1
150.02791	1.0
152.97592	1.0
159.08344	8.7
161.06004	1.2
162.02176	100.0
162.87877	0.9
165.05496	1.8
167.03358	1.7
173.05951	1.0
175.07521	1.8
186.89632	1.1
187.07582	1.9
189.05429	1.3
201.77356	1.1
205.08522	1.3
215.07219	1.2
219.06404	1.1
227.51305	1.0
251.06812	1.1
261.07510	1.7
262.11047	19.3
279.06250	2.5
279.08954	2.8
279.13574	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	279.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	2.1
57.41042	0.7
58.21240	0.6
65.03924	1.8
67.05478	0.8
69.03394	1.6
71.62270	0.9
73.00170	0.6
79.05473	0.8
84.08164	0.6
85.02889	1.0
86.09695	66.6
91.05470	13.8
93.03384	0.6
93.07035	1.1
95.04948	1.0
95.08602	1.2
97.02882	69.6
98.03191	1.0
98.97631	0.6
103.05449	2.5
105.07013	0.8
107.04967	0.8
117.07021	0.9
119.04933	27.6
120.08092	42.3
121.02840	1.6
141.06953	0.6
147.04393	100.0
148.04762	2.1
149.02332	19.1
149.03212	0.5
159.08046	1.6
161.05988	0.7
162.49998	0.6
163.03874	1.8
165.05530	0.9
166.08636	5.6
167.03378	1.5
169.06430	1.2
171.07983	0.7
177.05411	1.1
187.07516	1.0
191.03395	1.2
197.05972	1.2
209.04399	1.4
215.06989	1.8
219.02838	1.7
233.16508	0.7
243.06435	0.8
247.02362	1.6
261.07620	0.8
279.08817	1.1
279.16953	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	279.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	5.1
65.03920	1.2
67.05491	1.7
69.03407	1.6
71.04970	0.8
71.59146	1.1
78.17380	0.5
79.05483	0.5
81.07028	1.8
85.02892	1.1
91.05467	13.8
93.03388	0.8
93.07025	0.6
95.04965	0.9
95.08596	0.9
97.02882	58.7
101.83698	0.5
105.07011	1.1
109.10175	0.9
110.22406	0.5
119.04929	27.2
121.02824	2.1
131.08556	1.0
137.05934	0.6
139.03883	0.7
141.06967	0.7
145.02864	0.5
147.04388	100.0
148.04739	1.0
149.02327	29.8
159.08061	2.3
165.05550	0.7
167.03333	1.2
177.05399	1.0
185.05980	0.6
187.07396	1.0
189.05458	0.7
197.05930	1.0
209.53496	0.6
215.07047	2.1
219.29454	0.5
243.06543	1.3
261.07611	0.6
279.06274	1.6
279.08920	2.1
279.13019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	4.6
67.05486	1.3
69.03413	0.9
69.37498	8.3
79.05476	0.9
81.07023	2.2
86.09692	100.0
91.05466	7.7
93.07031	1.7
95.08595	1.1
97.02877	43.7
103.05452	2.9
107.04961	1.2
115.03924	0.8
116.01918	1.0
119.04929	16.6
120.08089	49.1
121.02850	1.7
147.04390	68.7
149.02324	25.0
159.08093	2.3
163.03821	2.5
166.08627	10.7
167.03358	1.6
169.06523	1.0
174.19258	0.9
180.25948	0.9
184.02036	1.0
189.08813	0.9
190.62529	0.9
190.99728	0.8
209.04535	2.2
213.33282	1.0
215.06934	1.7
219.02829	4.7
233.16447	1.1
247.02394	3.6
279.08603	1.1
279.17056	2.4
301.47952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01862	2.4
55.05490	1.5
56.96555	39.9
57.03434	6.4
57.07051	3.7
59.77781	0.9
60.95606	0.8
60.95845	9.3
61.02910	5.4
63.58042	0.9
67.05473	2.3
69.03420	13.0
70.06571	3.0
70.98092	2.0
71.04970	4.4
71.65683	0.9
71.66160	1.9
71.95245	2.2
73.02898	5.5
74.97382	3.1
79.05493	1.3
81.03419	8.6
81.07029	1.9
83.04916	1.1
83.08558	1.2
84.08105	3.1
84.96019	5.3
85.02390	1.3
85.02892	19.9
85.82180	0.9
87.04443	4.5
88.99075	2.0
91.03927	1.0
91.05450	2.8
92.98446	2.0
95.08610	1.3
97.02878	13.4
98.03151	2.3
98.21033	1.0
98.97567	100.0
99.04427	3.6
99.08096	1.2
101.00868	2.4
101.02370	1.3
102.96863	4.1
103.00612	6.8
105.96332	5.9
107.00147	1.4
107.04955	3.2
109.02861	8.4
109.10182	1.3
110.03145	1.0
110.07168	1.4
110.97542	19.9
110.99464	1.2
111.00189	0.9
115.00711	1.2
115.02435	1.9
115.03930	1.3
116.07069	3.2
116.98605	84.6
117.02077	1.3
119.01897	10.5
119.04935	2.8
120.00881	1.7
120.02001	4.1
120.97902	2.0
121.01649	37.6
121.04961	0.9
122.03642	1.1
124.99040	1.2
127.03090	1.0
127.03876	5.3
128.02216	1.2
128.04265	1.2
128.98592	32.9
131.00130	2.8
131.01869	4.4
131.03654	1.4
132.97873	1.6
133.01608	4.6
133.03427	3.2
134.03708	1.2
134.05965	2.9
134.99635	46.6
135.03180	7.3
136.06175	1.6
136.07579	2.9
137.02814	2.2
137.05966	8.1
138.03055	1.0
138.98854	1.4
139.02689	12.7
140.00162	3.3
140.98625	1.3
143.00137	6.2
143.01859	2.3
144.01906	1.4
145.01646	3.1
145.03452	2.4
145.04924	1.4
146.99629	26.4
147.03160	7.5
147.04353	4.0
149.01167	5.0
149.02275	33.5
149.04807	2.3
150.98988	2.1
152.07010	3.1
153.00697	7.2
153.04124	1.9
157.03455	2.7
158.01288	1.9
158.02472	1.4
158.03764	0.9
158.99637	31.3
159.00958	1.7
159.03157	15.5
160.06564	2.9
160.56740	1.4
161.01253	6.5
161.02814	5.6
161.04622	2.8
161.06557	2.0
162.01823	1.9
162.03052	1.8
163.02654	19.7
165.00681	8.1
165.04283	2.5
167.02306	1.4
168.05353	1.1
169.00072	2.4
169.01556	1.1
170.01277	1.6
170.05162	17.0
170.99631	13.9
171.03290	1.6
171.04895	1.2
172.97682	1.1
173.02856	1.2
173.04822	2.2
175.02745	2.2
176.96919	2.4
177.00688	76.6
177.04181	19.9
181.03755	2.0
181.55988	2.4
183.03123	1.3
185.02895	2.4
186.01830	1.4
187.01082	1.7
187.02635	8.4
187.04346	1.2
189.00694	37.2
189.04153	7.9
189.05841	1.4
190.56529	1.0
190.98640	2.3
191.02217	3.2
191.03894	2.1
191.05766	3.9
192.04651	2.1
193.00212	1.4
194.97917	11.6
195.01683	8.3
195.05148	3.8
199.56952	1.2
200.02234	4.1
200.04016	1.1
200.06009	3.4
201.00659	5.0
201.02446	1.6
201.04315	3.2
203.02205	1.5
203.04008	2.1
203.05850	2.8
205.00215	1.5
205.03673	7.7
205.05415	1.1
207.01732	24.6
207.03477	1.7
207.04993	1.8
208.99568	2.0
211.02817	1.8
212.98929	3.1
213.00757	1.5
219.01746	11.9
219.05110	9.4
219.95813	1.2
222.97221	2.4
223.01134	1.5
223.04749	1.7
225.04349	2.1
229.03818	2.1
230.03253	1.0
236.98888	4.1
237.02779	24.0
237.06215	4.2
247.04855	2.8
247.95349	1.6
249.02725	1.8
249.06039	2.3
251.02292	1.3
251.04489	2.3
254.99774	2.2
255.01932	1.9
255.03935	15.2
256.03079	1.5
260.04352	2.3
260.95499	1.2
261.02606	1.4
261.06488	2.9
265.00186	1.8
265.05756	1.2
269.05478	2.1
270.06729	1.7
274.04062	1.5
278.96707	3.5
279.03860	9.6
279.07462	25.8
280.07947	1.0
288.05130	1.1
288.55029	1.6
296.97699	2.1
297.05121	5.2
297.08551	53.5
298.08804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05029	4.5
57.07072	4.4
58.06591	7.0
60.04530	2.2
64.67069	0.4
68.05013	1.2
69.03403	1.1
69.07059	1.0
70.06569	0.6
70.12254	1.4
70.12669	0.9
71.08619	2.6
71.14288	0.4
72.04494	0.5
72.08150	2.4
74.06069	4.8
81.07024	1.3
86.06055	4.3
88.07620	30.5
89.06015	1.0
93.06996	0.5
95.04940	0.7
95.08572	0.7
96.04468	1.0
97.02878	7.5
100.07592	1.5
102.09138	0.6
104.07089	4.2
105.03387	9.6
109.10098	0.6
114.05512	1.4
118.08663	0.6
119.04937	0.6
132.10194	7.0
138.05489	5.7
144.36125	0.4
147.04387	2.2
149.02321	3.3
156.06506	0.6
156.48566	0.4
162.11258	2.1
166.10703	3.2
166.68959	0.5
186.18517	38.6
187.18919	0.7
198.18466	0.9
230.21130	12.9
260.22186	1.7
278.10269	6.2
278.23230	100.0
279.09055	0.4
279.23538	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	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03939	20.4
55.01855	5.9
55.05504	26.4
57.07064	12.2
61.49527	2.0
62.01295	2.1
67.05495	67.1
69.07061	34.2
69.93269	13.7
71.04956	3.5
71.08633	11.9
79.05482	57.3
81.03407	57.4
81.07044	64.3
83.04973	13.6
83.08596	9.9
85.10131	2.6
86.54804	2.3
91.05470	40.1
92.02918	2.6
93.07033	74.9
95.04959	44.4
95.08593	26.0
97.06512	3.4
97.10160	4.8
99.08067	8.9
105.07021	31.6
107.08578	41.8
109.06485	9.3
109.10133	17.3
111.08090	3.0
113.09612	2.7
117.07015	6.0
119.08549	22.6
121.06476	2.9
121.10120	22.9
123.08053	4.4
123.11686	7.0
125.09589	7.3
129.07007	5.6
131.08542	6.7
133.10141	23.9
135.07985	5.3
135.11694	21.1
143.08568	3.3
145.10071	6.1
147.08064	4.6
147.11665	16.1
149.09625	2.9
149.13228	15.4
151.11160	42.2
157.10051	5.5
161.13268	13.5
163.14749	8.4
165.12729	16.9
171.10187	2.6
171.11673	5.2
175.11267	2.8
175.14798	5.5
177.12814	2.4
179.10612	5.2
179.14246	8.8
185.13283	3.1
189.12744	2.6
191.14163	2.6
193.12286	3.7
207.13768	6.4
217.19461	3.8
231.21024	10.5
235.16898	15.0
241.19514	7.8
249.22092	3.9
259.20557	12.2
277.18051	11.1
277.21570	100.0
277.24615	4.8
278.21698	2.7
283.27557	2.2
284.90552	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.18556	1.3
52.08465	1.1
52.86904	1.3
53.03928	4.4
54.15852	1.2
55.01860	1.6
55.05502	19.4
57.07048	3.2
58.38333	1.2
61.12685	1.4
62.23446	1.0
62.65514	1.1
63.05722	1.5
63.61058	1.1
67.05495	34.7
69.06758	1.1
69.07065	13.9
69.36932	13.7
71.04973	2.7
79.05478	67.8
81.07040	34.1
83.04940	1.3
83.08597	4.8
85.06511	3.5
85.55505	1.2
86.31513	1.6
91.05463	24.2
93.07030	100.0
95.04926	6.4
95.08592	25.8
97.06528	2.2
97.10141	4.5
98.21400	2.6
105.07014	13.8
107.08573	58.9
109.06447	2.1
109.10136	14.2
113.05967	1.5
117.07015	3.2
119.08579	12.6
121.10124	40.7
123.11687	2.8
125.09557	1.5
131.08562	2.7
133.10107	9.5
135.11670	62.7
143.08556	2.2
145.10101	3.4
147.11633	6.6
149.09575	1.8
149.13231	26.4
157.10069	1.7
159.11626	3.1
161.13237	4.2
163.14816	5.5
171.11734	2.6
173.13197	1.8
175.14804	1.9
185.13330	1.4
195.13818	2.1
207.13640	3.4
213.16382	2.1
221.15300	3.4
235.16899	3.4
259.20349	2.1
277.21591	49.8
278.21854	2.6
296.98303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03933	5.1
53.05130	1.5
55.01862	1.7
55.05501	16.8
57.07060	2.6
59.92065	1.3
65.03932	2.0
67.05147	2.3
67.05495	36.1
69.07064	13.7
69.28393	19.1
71.05011	1.7
71.08627	2.6
79.05479	73.7
81.07040	40.7
83.04916	2.1
83.08617	7.6
85.06523	2.5
91.05463	26.5
93.07030	100.0
95.04939	6.3
95.08588	26.6
97.10133	4.8
98.21404	3.6
105.04588	1.7
105.07005	12.9
107.08576	52.7
109.06446	2.6
109.10136	16.2
111.94509	1.4
117.07020	3.2
119.08551	11.9
121.10126	38.6
123.11671	2.5
129.07021	1.6
131.08559	4.6
133.10132	11.1
135.10640	3.4
135.11670	45.8
143.08525	2.2
145.10080	4.5
147.11647	5.6
149.13222	18.7
154.50887	1.6
157.10112	1.8
159.11679	3.4
161.13182	5.3
163.11099	1.9
163.14828	5.7
171.11668	3.1
172.57072	1.4
173.13234	2.8
175.14809	1.8
177.12758	2.2
185.13329	1.8
195.13722	1.6
221.15282	4.0
235.16980	3.3
241.19490	3.1
246.85062	1.8
259.20602	5.5
262.08398	1.8
277.10797	2.2
277.21585	59.8
278.21848	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	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02382	1.3
53.03949	4.9
55.01867	9.3
55.05500	19.2
56.93200	1.0
57.07062	5.1
62.57732	1.0
65.03941	1.6
67.05492	38.8
69.03409	1.2
69.07059	15.6
69.95042	5.4
71.04980	3.0
71.08620	12.6
79.05479	47.4
81.03394	4.1
81.07043	42.7
83.04948	2.8
83.08596	11.3
85.06525	3.6
86.53812	0.9
91.05463	29.5
93.07028	66.7
95.04952	12.6
95.08591	25.6
97.06499	4.6
97.10146	3.3
98.21397	1.5
99.08084	8.7
101.46783	0.9
105.04493	1.0
105.07016	20.1
107.04960	3.7
107.08578	35.1
109.06508	5.0
109.10138	13.3
109.90096	1.1
111.08044	9.2
117.06996	4.6
119.08553	13.9
121.06453	2.3
121.10117	20.0
123.08023	3.2
123.11679	5.0
125.09576	2.3
129.06984	3.7
131.08568	6.2
133.06442	1.3
133.10117	12.5
135.08018	2.8
135.11688	23.9
137.09604	1.6
137.13252	1.6
139.07510	1.0
139.11148	1.5
141.12700	2.6
143.08528	4.5
145.10141	5.5
147.11661	11.7
149.09583	2.9
149.13239	14.3
151.11183	6.3
157.10097	2.9
159.11665	4.2
161.09599	2.6
161.13248	9.5
163.11169	9.1
163.14836	6.0
165.12726	4.6
171.11600	4.8
173.13240	2.5
175.11060	2.2
175.14777	4.2
177.12761	2.2
179.14250	2.4
181.12180	1.3
185.13194	3.8
189.12737	2.1
193.12204	1.8
193.15857	1.0
195.13797	1.4
199.14813	2.6
203.14304	1.1
207.13795	3.4
217.19420	2.2
221.15314	2.7
231.17365	1.3
231.21017	3.5
235.13255	2.0
235.16853	3.9
241.19484	6.7
247.05959	3.1
259.20544	12.8
262.08282	1.6
277.10669	3.5
277.21582	100.0
278.21866	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	3.6
55.01855	3.2
55.05505	17.4
57.03413	3.5
57.07068	4.9
65.03946	1.4
67.05497	40.1
69.03409	1.2
69.07063	15.8
71.04975	3.0
71.08623	16.8
77.03906	1.0
79.05483	66.4
81.03418	4.6
81.07047	50.8
81.07544	2.0
83.04981	4.5
83.08611	10.7
85.06526	2.6
91.05471	32.1
93.07036	100.0
95.04955	11.1
95.08594	39.0
97.06510	4.5
97.10149	4.3
98.21397	2.2
99.08088	12.8
105.04489	1.9
105.07015	20.9
106.77816	0.9
107.04947	2.3
107.08578	51.3
108.08923	1.4
109.06495	4.2
109.10155	9.5
111.08076	1.4
113.09644	1.2
117.06997	4.2
119.08567	13.2
121.06490	1.1
121.10129	43.6
123.08048	3.6
123.11675	2.6
125.09647	1.3
127.11157	1.0
129.07027	2.3
131.08546	6.2
133.10117	12.4
135.08018	1.0
135.11679	54.2
136.12022	1.1
137.09589	2.8
141.09091	2.1
143.08525	2.4
145.10071	4.9
147.11662	6.2
149.09668	1.9
149.13235	16.1
151.11180	9.2
157.10104	1.7
159.11697	5.2
161.09558	1.6
161.13240	7.2
163.11182	6.0
163.14795	3.3
167.10654	2.5
171.11627	2.9
173.13219	1.3
175.14703	2.3
177.12703	1.9
179.10660	2.7
179.14288	21.3
181.12166	2.0
185.13268	1.9
187.14803	2.8
189.12782	2.1
195.13785	1.7
199.14709	2.3
207.13762	2.3
213.16362	1.1
217.15775	1.2
219.13777	0.9
221.15306	4.5
235.16881	10.0
241.19467	3.0
247.06000	3.0
259.20566	5.4
262.08353	1.3
277.10861	4.8
277.18146	5.2
277.21573	77.5
278.21576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03928	4.3
54.18559	1.1
55.05506	16.4
57.07053	2.9
65.03921	1.6
67.05497	30.0
69.07063	14.5
69.36781	7.6
69.37196	3.6
71.04984	2.1
73.06551	1.1
76.99883	1.1
77.03916	1.1
79.05484	71.9
81.03403	1.5
81.07046	29.1
83.08611	6.8
85.06548	1.9
89.54836	1.2
91.05470	26.8
93.07034	100.0
95.04951	5.9
95.08592	20.9
97.10147	3.5
101.06001	1.0
105.04461	1.4
105.07028	14.9
107.08581	50.1
109.06554	1.2
109.10140	11.7
110.78244	1.2
117.07001	2.1
119.08556	11.0
121.10133	45.2
123.08072	1.7
123.11697	3.3
129.06972	2.5
131.08542	4.8
133.10100	12.3
135.11678	45.5
143.08545	1.9
145.10109	3.3
147.11679	7.7
149.09622	1.6
149.13243	23.6
157.10097	1.2
159.11652	4.8
161.13223	4.5
163.14809	4.3
170.51712	1.0
171.11713	2.0
173.13255	3.1
175.14719	1.3
177.12646	1.1
185.13275	2.0
186.93941	1.2
193.72003	1.1
195.13745	1.5
199.14711	1.4
207.13811	1.3
213.16435	2.0
221.15292	3.4
231.21178	1.2
231.31465	1.1
235.16898	3.5
259.20584	4.8
267.45511	1.2
277.21594	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	4.0
55.01876	4.3
55.05503	31.8
56.96554	4.1
57.03410	3.6
57.07046	14.1
59.05001	4.2
65.03920	3.3
67.05499	39.7
69.03416	18.8
69.07063	33.0
69.30011	9.9
69.30431	27.1
71.04973	12.7
79.05488	35.7
81.03384	9.7
81.07044	74.4
83.04961	20.0
83.08611	17.4
85.06522	21.6
90.02668	3.2
91.05455	21.3
93.07037	80.9
95.04951	13.6
95.08586	45.8
97.02888	4.2
97.06509	13.0
97.10151	5.1
100.35548	3.0
105.07013	39.3
105.97593	2.9
106.94582	2.9
107.04929	5.3
107.08579	58.3
107.17165	3.0
107.53160	3.4
109.06519	25.4
109.10146	54.3
111.08073	12.8
113.09630	20.5
117.07017	5.5
119.08562	37.8
121.06516	5.2
121.10126	70.7
123.04436	3.5
123.08045	10.4
123.11686	27.2
125.09608	11.5
129.06998	3.8
131.08557	7.6
133.10107	40.1
135.08020	7.7
135.11679	45.6
137.09592	33.0
137.13287	3.0
139.11168	12.2
143.08470	4.8
145.10118	14.0
147.11652	15.3
149.02322	60.1
149.09561	14.2
149.13231	16.4
151.11154	52.4
157.10110	7.4
159.11676	9.2
161.09630	7.7
161.13275	19.6
163.11179	4.4
165.12814	4.6
171.11781	4.5
175.11252	6.8
175.14812	27.6
185.13225	8.0
189.12682	7.8
193.15822	7.9
201.16342	18.9
203.14252	13.9
217.04828	3.3
219.17468	5.2
235.16853	6.2
241.19389	10.0
247.05972	19.8
259.20526	17.6
262.08313	7.1
277.10690	19.1
277.18069	10.3
277.21573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	3.8
55.01867	1.7
55.05246	1.1
55.05505	21.3
57.03431	8.4
57.07056	1.4
65.03922	1.3
67.05145	2.2
67.05495	35.5
69.07059	17.3
70.86780	1.3
70.87108	2.2
71.04971	3.1
79.05484	70.1
80.20082	0.9
81.07047	40.5
83.04950	3.2
83.08608	8.6
85.06528	3.8
91.04926	1.9
91.05470	28.6
93.07034	100.0
95.04953	7.0
95.08012	2.2
95.08594	34.6
97.06511	2.4
97.10142	3.9
99.08074	1.9
105.07016	20.4
107.04926	1.4
107.08581	51.4
109.06508	4.7
109.10155	13.2
111.08061	2.1
117.06998	4.9
119.08562	14.2
121.06531	1.2
121.10134	48.0
123.08070	1.9
123.11689	3.2
125.09632	1.5
129.06973	2.5
131.08546	8.2
133.10117	14.3
135.07999	1.6
135.11674	46.6
137.09618	2.5
139.39326	1.0
143.08549	2.4
145.10115	5.7
145.11102	0.9
147.11653	8.2
149.09569	1.4
149.13240	25.1
151.11201	1.8
157.10155	1.8
159.11667	4.4
161.13229	4.7
163.11171	1.6
163.14792	6.6
165.12738	1.8
167.10667	1.5
171.11647	3.4
175.14772	2.8
177.12718	2.4
181.12164	1.3
185.13234	2.6
187.14793	6.9
189.12732	2.2
189.69980	1.0
193.12108	1.3
195.13786	1.8
199.14815	1.3
205.15875	3.7
207.13715	2.1
213.16443	3.0
219.62125	1.0
221.15347	4.7
221.19040	2.2
235.16902	4.2
241.19492	3.7
247.05919	1.2
250.68492	1.2
259.20477	7.8
277.21597	90.4
278.22018	1.9
284.04611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01852	0.8
56.96570	0.9
57.03423	1.5
58.53766	0.6
58.99847	2.0
61.02906	2.8
62.48061	0.6
69.03420	4.2
70.35851	2.9
70.99861	1.0
71.04979	3.0
77.00899	1.7
81.03406	6.0
82.99863	2.6
85.02905	5.1
85.03328	0.8
87.04447	1.4
89.00915	0.8
89.63425	0.7
97.02869	3.2
99.04451	3.3
100.00073	1.4
101.00862	26.9
103.02436	1.3
109.02849	6.8
110.97619	0.7
113.00863	2.3
115.02419	4.1
115.42639	0.7
118.01143	2.9
119.01903	77.6
120.02004	1.6
121.01627	2.0
127.02389	1.9
127.03883	1.3
131.01889	13.6
133.03444	14.3
134.03604	1.1
137.02945	16.4
139.02460	2.1
142.01161	1.4
142.03465	2.1
143.01877	16.1
144.02748	1.0
145.03436	15.3
147.01343	2.1
147.03145	1.3
147.05052	1.4
149.01199	0.8
149.02936	2.5
151.04477	3.1
153.02362	1.3
155.01855	6.3
156.02684	3.4
157.03453	34.0
158.03728	0.8
159.01392	5.4
159.05058	2.4
160.02118	3.9
161.02936	56.3
162.03067	0.9
163.04478	2.5
166.01064	1.0
167.01895	2.8
169.03452	3.0
171.05023	3.4
173.02942	14.3
175.02936	1.6
175.04492	31.4
177.02428	0.8
178.03264	1.1
179.03986	2.8
183.05014	3.3
184.02176	2.3
184.04556	1.7
185.02933	19.0
187.02861	1.2
187.04509	9.5
189.02393	1.5
189.06010	4.2
191.04045	2.5
197.02930	2.3
199.04478	8.1
201.06056	5.8
203.03978	14.5
205.03726	1.9
205.05595	2.8
211.04669	0.9
215.03920	0.9
217.01959	2.4
217.05540	7.5
221.05042	2.2
227.04004	2.6
235.03008	1.3
235.06639	3.3
241.05495	0.9
245.05049	8.7
253.07721	1.9
259.06586	7.1
263.06116	1.8
277.04025	8.2
277.07605	74.7
278.07623	2.0
295.08701	100.0
296.08780	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	277.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
56.96548	1.6
57.03408	2.8
61.02891	2.9
69.03419	4.2
71.03585	0.9
71.03915	2.1
71.04959	3.3
73.02856	0.8
77.00886	1.9
81.03024	0.8
81.03405	8.0
82.99847	2.1
85.02870	3.8
97.02856	3.0
99.04410	2.2
100.00068	2.4
101.00227	1.7
101.00866	29.2
103.00627	1.3
103.02413	1.3
109.02866	8.1
113.00853	3.3
115.02366	3.5
118.01115	3.1
119.01904	94.7
120.02002	2.1
121.01615	2.2
127.02394	2.0
127.03873	2.0
128.07133	0.8
129.03932	1.0
131.01888	15.3
132.01932	1.0
133.02490	1.5
133.03438	15.9
137.02943	19.9
139.02364	2.9
142.01106	1.7
142.03523	1.1
143.01886	15.8
144.02705	1.1
145.03453	16.7
147.01308	1.6
147.03175	1.2
147.05006	1.4
149.02896	2.5
151.04472	5.9
155.01915	5.5
156.02614	3.4
157.02159	1.6
157.03448	37.5
159.01382	5.4
159.04980	3.8
160.02174	5.1
161.02940	59.0
162.03076	1.0
163.04401	3.5
167.01816	3.0
169.03326	2.5
171.04968	3.3
173.02934	12.6
175.00980	1.5
175.04514	32.0
176.04655	1.2
177.02470	1.3
179.03981	2.7
181.03328	1.5
183.04933	3.0
184.02077	1.2
184.04477	1.6
185.02936	20.5
187.00912	1.4
187.02905	1.5
187.04483	8.9
189.02397	2.0
189.06023	3.5
191.03963	2.5
197.03041	1.2
198.06006	1.2
199.04469	7.4
201.06055	6.9
203.03995	16.5
204.04208	1.1
205.03850	2.0
205.05585	2.0
215.04013	1.3
217.01927	4.5
217.05482	7.0
221.05016	4.7
227.03906	1.3
235.02895	1.5
235.06601	3.6
245.05028	8.7
247.03091	1.3
253.07675	2.4
259.06635	7.2
263.06061	2.3
277.03928	10.1
277.07590	61.3
278.07574	2.1
295.08698	100.0
296.08853	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	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.1
57.03406	2.1
57.07064	2.7
60.92641	1.8
67.59364	1.6
69.03426	3.0
69.65328	11.5
81.03394	6.4
84.67407	1.5
85.02911	2.1
87.04482	1.6
88.76549	2.5
95.08570	3.3
98.21379	3.8
98.96902	2.0
98.97573	38.2
99.04422	3.6
101.00866	19.4
109.02895	9.4
113.81701	1.7
115.02411	2.6
116.98612	34.5
118.01142	4.7
119.01900	81.7
121.01611	3.1
127.02377	2.3
127.80535	1.7
131.01897	6.3
133.03482	12.4
134.99646	17.3
137.02940	25.6
139.02402	1.8
140.88171	1.9
142.03455	2.9
143.01892	10.0
144.02676	3.3
144.57585	1.7
145.03461	11.3
151.04501	2.8
153.00681	3.6
156.02655	1.8
157.03453	37.0
159.01363	5.0
159.04984	2.5
161.02943	45.5
163.03758	9.7
167.01880	3.7
173.02992	2.7
175.04500	33.4
177.00916	6.3
178.03253	2.2
179.00688	4.8
179.03918	3.8
183.04965	3.8
185.02913	17.0
187.04521	8.7
189.06049	3.1
199.04495	7.6
201.06007	8.3
203.04004	13.1
209.03036	1.7
217.05542	6.6
219.01973	11.1
220.51637	1.9
221.01805	2.7
221.05109	3.0
235.17055	2.3
236.99440	2.6
240.98557	3.0
245.05086	4.9
250.99146	7.4
251.49319	4.1
256.96820	2.1
258.99692	24.7
259.06671	5.8
261.03003	4.4
262.03171	2.8
263.02957	2.3
263.06030	2.7
276.97379	5.6
277.00726	44.1
277.04745	3.4
277.07678	56.7
277.18069	2.8
278.01202	2.1
292.96091	1.8
295.08725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.7
57.07043	1.2
58.99837	1.3
60.79396	1.1
61.02891	4.5
63.83815	1.2
69.03411	6.7
71.04970	3.4
71.37542	1.1
71.38576	3.3
73.02877	1.6
76.54532	1.2
77.00909	2.8
79.05445	1.3
81.03409	8.3
82.99855	2.0
85.02883	6.8
86.99310	1.6
87.04414	1.4
97.02901	3.0
99.04407	2.5
100.00051	2.5
101.00236	2.3
101.00861	26.7
103.02420	1.9
109.02862	7.9
113.00824	2.3
115.02397	4.6
118.01083	3.9
119.01909	82.5
120.01975	2.1
121.01630	5.2
121.03456	1.5
127.02432	1.3
127.03880	2.3
129.03932	1.6
131.01884	11.1
133.01605	1.2
133.03445	14.0
137.02933	17.9
139.02414	2.9
142.01122	3.6
143.01888	14.4
143.58948	1.3
145.03464	17.7
147.01373	1.6
147.04967	1.4
149.02921	2.3
151.04446	4.5
155.01825	4.9
156.02641	4.2
157.03442	34.3
158.03403	1.4
159.01357	4.6
159.04971	4.3
160.02106	5.5
161.02942	50.5
163.02652	1.2
163.04425	3.1
167.01854	3.8
169.03409	2.8
171.04936	2.8
173.02969	11.7
175.01138	1.5
175.02870	2.5
175.04503	32.9
178.03128	1.4
179.04060	1.5
183.04936	3.5
184.02150	2.4
185.02939	19.7
187.04500	6.8
189.06056	2.7
191.03854	2.3
197.02893	1.3
199.04543	6.2
201.05986	4.0
203.03983	14.5
205.03680	2.2
205.05508	1.6
217.01927	2.8
217.05580	6.7
221.04968	2.4
227.03973	2.0
235.02815	1.5
235.06580	3.3
245.05057	7.5
253.07573	2.5
259.02386	1.6
259.06482	5.9
277.03387	6.3
277.07596	67.4
277.17993	1.5
278.07910	1.4
295.08713	100.0
296.08951	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	277.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61246	35.3
69.61586	8.0
81.03409	4.5
87.53693	5.5
92.33051	3.9
101.00872	27.7
112.81847	4.3
112.93025	4.4
115.02441	5.0
116.92126	4.0
118.01126	5.1
119.01891	58.3
128.00366	4.5
130.37343	4.2
131.01857	12.9
133.03415	9.0
137.02948	13.1
143.01859	15.6
145.03427	16.6
155.01907	8.5
157.03442	37.6
159.01410	7.7
161.02925	53.9
167.01845	5.1
171.05090	8.2
173.02975	12.3
175.04475	36.6
185.02927	18.4
187.04410	8.3
194.06631	4.4
195.82004	4.5
201.06143	5.8
203.03999	13.6
217.05545	7.8
235.06714	7.6
245.05008	5.5
277.03131	36.8
277.07605	58.6
295.08734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.273
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03922	3.0
53.40929	0.8
55.01869	1.1
55.05502	16.3
56.89901	1.1
57.07069	7.9
65.03938	1.6
67.05148	1.7
67.05496	31.0
69.06697	1.8
69.07059	26.9
69.39008	2.1
69.39406	8.8
70.30342	0.9
71.08603	2.9
73.78250	0.9
74.22794	1.0
79.05103	1.1
79.05485	14.4
81.07046	100.0
82.07372	1.4
83.08603	14.8
85.10136	1.2
85.97042	1.0
91.05468	12.1
93.07030	18.6
95.04958	2.3
95.08593	85.3
96.08925	1.6
97.10159	8.2
105.07019	13.7
107.04929	1.9
107.08568	17.6
109.06472	1.7
109.10143	56.0
111.11694	6.0
117.07011	2.6
119.08568	7.5
121.10132	13.2
123.11687	26.6
125.13235	1.4
131.08557	3.4
133.10089	6.7
135.11679	9.4
137.13231	10.4
140.85835	1.0
144.72523	0.9
145.10110	3.5
147.11644	3.8
149.09644	1.4
149.13217	7.8
149.49974	0.9
151.11119	0.9
151.14790	4.9
159.11652	2.9
163.14825	5.9
165.16338	2.3
173.13272	1.8
177.16347	1.2
179.17867	1.2
191.14304	1.4
191.17944	1.8
219.20955	1.8
257.18930	1.8
275.20099	19.5
275.27332	39.3
276.20361	1.6
276.27765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	2.7
55.01642	1.2
55.01864	13.3
55.05244	1.3
55.05501	21.2
55.31468	1.0
57.03410	1.7
60.29704	1.1
62.56219	1.0
65.03928	2.1
67.05494	26.3
69.03419	1.0
69.07053	13.3
71.04966	2.8
71.08717	2.0
77.03938	1.3
78.03594	1.1
79.05480	29.5
81.03403	1.6
81.07047	33.8
83.04955	4.4
83.08610	6.8
85.06548	1.5
90.35020	1.0
91.05467	56.2
92.05751	1.1
93.07034	24.5
95.04947	7.6
95.08008	1.4
95.08593	18.0
97.06517	15.2
97.10133	4.0
103.05449	2.9
105.07015	100.0
107.04930	13.1
107.08572	19.3
109.06498	2.7
109.10120	8.2
111.08076	1.9
115.05477	1.4
117.07007	12.9
119.08554	46.8
121.06485	2.4
121.10107	7.3
123.08070	1.3
123.11682	1.9
125.09595	2.0
129.06992	3.2
131.08553	22.6
132.09302	1.3
133.10112	54.0
135.08035	3.3
135.11688	4.4
137.09579	1.2
141.44896	1.0
143.08505	3.0
145.10100	15.2
145.58902	1.1
146.10881	1.3
147.10571	1.9
147.11673	24.4
149.09599	13.6
149.13286	1.1
151.11113	1.6
155.08511	1.2
157.10147	2.9
159.11681	8.7
161.13245	5.9
162.13560	1.0
163.11151	4.4
165.09132	2.8
169.10161	1.6
171.11676	3.5
173.11824	1.5
173.13254	4.8
175.11101	1.2
177.12769	1.6
179.14279	2.1
183.11700	2.4
187.11041	1.4
203.14456	1.2
215.17966	1.8
217.17265	1.2
219.17412	3.0
229.19472	4.3
239.17880	2.8
247.20520	3.5
257.18973	9.3
275.20029	93.3
276.20334	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	1.5
55.01858	3.2
55.05505	13.7
57.03425	1.9
57.07050	1.2
64.17204	1.1
67.05495	18.7
69.07056	9.5
69.52955	7.9
69.53349	1.8
71.04970	2.1
79.05482	19.5
81.07045	25.9
83.04961	3.1
83.08585	4.9
85.06522	1.6
88.54336	1.0
90.37003	1.0
91.05467	36.6
93.07037	19.2
95.04955	3.6
95.08588	12.7
97.06514	5.0
97.10158	2.0
103.05447	1.3
105.07019	49.6
107.04932	4.8
107.08566	12.9
109.06497	5.5
109.10151	7.1
111.08058	1.2
114.88118	1.0
117.07001	11.5
119.08566	32.7
121.06464	3.4
121.10122	7.4
121.70833	1.3
123.08071	2.9
123.11720	1.7
125.09627	1.2
127.32086	1.2
129.06961	3.2
131.08556	15.0
133.10110	33.5
135.08038	4.3
135.11655	4.3
137.09598	3.5
139.11226	1.3
141.06989	1.9
143.08513	3.0
145.10081	14.5
147.08067	1.6
147.11664	19.1
149.09586	6.5
149.13181	1.8
151.11159	4.2
155.08545	1.6
157.10098	2.6
159.11650	9.2
161.09602	1.8
161.13203	7.5
163.11124	4.7
165.09210	1.5
165.12689	2.0
169.10042	2.2
171.11667	3.1
173.13235	4.8
175.14784	1.8
177.12738	2.4
182.22864	1.2
183.11652	3.2
187.11124	1.2
197.13174	2.6
201.12650	1.8
215.17822	1.1
219.13788	1.1
229.19475	4.2
233.19067	1.5
239.17975	5.8
247.20471	3.4
257.18970	13.1
275.20023	100.0
276.20273	2.7
286.14536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	3.6
55.01873	7.4
55.05505	27.1
57.03421	2.9
59.05021	1.6
65.03934	1.8
67.05147	2.2
67.05499	37.9
67.41328	1.5
69.03394	2.2
69.07050	11.0
70.77146	3.7
71.04982	3.0
74.77650	1.4
79.05486	46.8
81.07049	27.2
83.04958	3.6
83.08583	7.2
91.05466	38.0
93.07040	25.6
95.04958	3.3
95.08606	13.7
97.06480	2.5
97.10152	4.3
105.07020	53.1
107.04948	30.7
107.08583	35.4
109.06503	2.0
109.10143	17.3
111.08093	1.4
115.05428	2.0
117.07012	13.8
119.08564	38.2
121.06497	2.7
121.10126	11.7
123.11687	3.3
125.09615	6.0
128.75801	1.6
129.06967	3.5
131.08562	18.1
133.06509	1.4
133.10107	34.1
135.08052	5.3
135.11624	2.0
137.09598	2.7
141.16042	1.4
143.08592	2.8
145.10106	18.3
147.08057	1.9
147.11664	23.1
149.09602	58.1
155.10762	1.4
157.10062	3.8
158.46040	1.4
159.11703	10.3
161.13206	7.2
163.11150	2.4
169.10046	1.8
169.12213	3.6
171.11700	3.7
173.11786	2.9
173.13234	5.3
177.12494	1.4
183.11751	1.8
186.20416	1.4
187.11140	1.7
187.13319	1.7
187.14810	3.0
193.12202	1.6
197.13229	3.1
215.17935	2.9
229.19501	8.7
233.15262	2.0
239.17903	4.0
242.87056	1.4
247.20563	3.7
257.18948	19.5
257.21408	2.0
275.20032	100.0
276.20209	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.41105	1.0
54.55676	1.1
55.05498	4.6
57.03448	1.4
61.48057	1.2
61.55947	1.0
67.05499	5.5
68.13857	1.1
69.03424	1.4
69.07066	13.0
71.04980	2.8
71.08600	2.7
79.05492	5.5
81.07056	8.9
83.04981	1.9
83.08592	2.4
85.06543	2.1
91.05468	9.9
93.07047	10.0
95.04958	3.4
95.08588	9.3
97.06519	1.7
105.07018	14.8
105.07696	1.1
107.04945	2.6
107.08596	8.6
109.06504	3.9
109.10137	7.0
111.08067	19.3
113.09628	2.7
117.07004	2.0
119.08566	13.8
121.06490	3.3
121.10162	6.0
122.07275	4.7
123.07246	1.6
123.08058	16.4
123.11690	1.7
131.08563	11.4
133.10109	11.0
135.08052	22.5
135.11693	4.5
136.05344	1.1
137.09578	2.0
139.11200	1.3
143.08572	2.3
145.10109	9.3
147.08041	1.4
147.11679	9.0
149.09570	3.9
156.09311	2.5
157.10097	3.3
159.11656	8.0
161.09587	3.3
161.13231	1.4
163.11174	3.0
165.12653	1.9
171.11681	13.4
171.54601	1.1
173.13289	6.5
175.11169	1.6
175.14864	2.1
176.11958	5.6
177.12680	1.1
181.12222	13.0
183.11670	2.3
187.14755	1.5
189.12730	3.3
191.14287	100.0
192.14561	1.3
198.70270	1.1
199.14832	5.7
213.16240	1.6
215.17970	4.3
217.15907	6.2
239.17975	1.3
257.18964	8.4
258.51337	1.2
275.20041	45.0
275.27951	1.6
276.20297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03927	2.4
55.01876	6.1
55.05510	12.5
57.03410	1.9
67.05502	23.3
69.03423	2.0
69.07066	10.8
69.97586	6.9
71.04987	2.0
74.37016	1.1
79.05485	21.3
81.07044	32.4
83.04968	12.3
83.08591	4.4
91.05466	25.9
93.07031	30.0
95.04958	9.5
95.08085	1.5
95.08600	15.5
97.06509	5.1
97.10159	2.6
98.20771	1.8
103.05450	1.7
105.06342	2.0
105.07017	35.5
107.04958	7.1
107.08579	19.7
109.06504	12.1
109.10140	8.6
111.08028	3.8
111.11621	1.4
114.97591	1.2
117.07003	6.9
119.08554	17.6
121.05846	1.2
121.06510	11.6
121.10130	9.3
123.08051	7.8
123.11696	1.6
128.52286	1.2
129.06981	2.9
130.07704	1.4
131.08557	17.2
133.06451	2.7
133.10115	18.6
135.08057	6.8
135.11673	4.0
137.09596	2.9
138.85115	1.2
143.08530	2.0
145.06465	2.9
145.10110	13.2
147.08025	4.9
147.11667	13.3
149.09631	5.7
149.13222	3.5
151.11134	3.0
155.08511	2.5
157.10110	3.5
159.08049	2.5
159.11670	8.2
161.09583	3.2
161.13225	4.2
163.11198	5.8
169.10106	2.5
171.11627	2.9
173.09613	3.9
173.13255	4.4
175.11197	2.0
177.12662	2.9
183.11610	1.6
187.11182	4.1
187.14774	2.5
191.14279	2.7
197.13199	2.4
201.12726	3.3
207.13707	1.9
213.16330	1.6
218.50212	1.4
219.13800	3.3
229.19458	2.8
233.15315	1.9
233.18901	1.6
239.17906	2.6
247.20596	2.8
257.19000	12.1
275.20023	100.0
276.20325	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56985	1.2
53.03942	1.9
55.01854	3.5
55.05503	14.9
57.03415	5.0
57.07056	1.7
64.94678	1.2
67.05147	1.5
67.05496	24.2
69.03398	1.9
69.07061	10.7
69.98419	4.7
71.04971	4.3
71.07833	1.2
77.03896	1.3
79.05485	24.0
81.03406	1.3
81.06609	2.4
81.07049	29.7
83.04970	2.6
83.08595	4.7
83.48539	1.3
85.06541	1.8
91.05466	47.2
93.06509	1.9
93.07040	21.7
95.04942	4.6
95.08592	14.4
97.06516	3.5
97.10167	1.4
98.20705	2.6
103.05466	2.4
105.07018	63.4
107.04929	5.4
107.08580	16.2
109.06487	5.9
109.10142	7.3
111.07995	1.6
115.05434	1.4
117.07004	11.1
119.08564	35.3
121.06486	4.3
121.10126	8.2
123.08075	7.1
123.11704	2.0
125.09591	1.8
126.74416	1.2
129.07001	2.7
131.08551	14.8
133.06447	1.9
133.10110	48.7
135.08018	6.3
135.11670	5.8
135.18806	1.3
137.09564	2.5
141.06987	2.6
143.08531	3.3
145.10106	13.1
147.11661	24.3
149.09595	3.8
150.85080	1.3
155.08574	2.1
157.10051	2.8
159.11749	8.0
161.09592	2.5
161.13243	6.6
163.11157	4.0
169.10112	2.0
171.11636	2.1
173.13284	5.8
175.11232	1.4
183.11720	1.8
185.13242	1.7
197.13304	2.0
201.16406	1.5
203.14243	2.3
239.17926	4.2
247.20511	5.3
247.92337	1.4
257.19022	8.8
275.20032	100.0
276.20483	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.66064	1.2
53.03924	1.6
55.01862	2.2
55.05505	12.8
57.03418	3.8
65.03912	1.9
65.19650	1.1
67.05157	1.1
67.05499	20.4
69.07063	11.2
69.98344	6.1
71.04971	5.0
79.05040	1.3
79.05482	21.0
81.06620	1.8
81.07047	26.0
83.04957	3.0
83.08595	4.7
83.99008	1.2
85.06508	2.5
91.05473	36.8
93.07034	21.3
95.04945	5.1
95.08591	12.8
97.06528	2.7
97.10156	1.4
105.07018	53.1
107.04935	4.8
107.08580	17.3
109.06506	5.7
109.10136	6.5
111.08093	2.3
115.05408	1.4
117.07014	11.7
119.08569	37.5
121.06461	2.1
121.10123	11.4
123.08025	4.7
123.11671	2.7
126.37278	1.2
129.06987	2.8
131.08557	15.9
133.10118	39.3
135.08044	6.8
135.11639	5.7
137.09584	3.5
141.06943	2.2
143.08565	3.3
145.10091	16.8
147.11668	21.5
149.09596	6.8
149.13257	2.1
151.11142	1.3
157.10168	6.3
159.11656	15.8
161.09518	2.0
161.13269	6.2
163.11147	3.6
169.10097	3.5
171.11678	3.8
173.09569	1.4
173.13251	11.2
175.11189	2.9
175.14751	1.5
177.12723	2.2
183.11682	3.3
185.13295	2.5
187.11127	1.7
187.14816	2.3
191.14337	2.0
197.13249	3.5
199.14783	3.3
201.12729	1.9
201.16339	1.2
203.14299	2.0
213.16418	2.8
213.23367	1.0
216.93413	1.1
229.15813	1.8
229.19466	1.5
233.15137	1.0
239.17923	5.6
247.20549	3.8
257.18973	11.8
275.20038	100.0
275.27679	6.3
276.20425	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.5
55.05504	15.1
57.03436	1.0
65.03919	2.1
67.05493	16.6
67.28784	0.9
69.07057	9.2
71.04971	2.0
71.24776	2.8
79.05486	16.5
81.03461	1.3
81.07045	19.6
83.04990	1.4
83.08600	5.0
88.39017	0.9
91.05466	45.0
91.06039	2.3
93.07035	16.7
95.04945	3.0
95.08578	12.7
95.89668	1.0
97.06498	2.1
97.10146	2.1
103.05449	2.5
104.75452	0.9
105.07014	72.4
107.04972	1.3
107.08579	13.1
109.06461	1.2
109.10131	4.0
116.96323	1.0
117.06992	9.9
119.08559	37.3
121.06464	1.8
121.10134	4.9
123.11681	1.9
125.09581	1.2
129.06970	2.3
131.08554	14.7
133.10115	46.8
135.08075	1.6
135.11668	3.9
137.09526	1.3
141.06973	1.2
143.08542	2.9
145.10114	17.5
147.07956	1.5
147.11662	27.6
147.83730	0.9
149.09615	5.2
155.08475	1.8
156.73233	0.9
157.10107	3.3
159.11661	9.5
161.13274	5.3
163.11153	2.8
169.10172	1.3
171.11714	2.4
173.13223	4.5
181.12251	1.0
183.11649	2.1
193.12270	1.1
197.13203	2.6
207.13660	1.1
209.26674	1.1
215.14307	1.4
215.17880	1.4
217.15669	1.0
219.13771	1.1
239.17911	4.3
247.20461	1.2
257.18958	9.4
275.20026	100.0
275.27679	6.1
276.20328	3.6
281.45395	1.1
292.43890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.01854	1.9
55.05275	0.9
55.05505	9.9
57.03432	5.3
57.07056	2.6
59.89178	0.8
59.94484	0.8
65.03918	1.1
67.05495	13.3
69.07063	9.0
70.06573	3.5
70.59743	0.8
70.61201	2.1
70.61569	1.4
71.04980	1.9
73.45146	0.8
79.05481	15.2
79.07011	0.8
81.07046	14.5
83.04970	1.1
83.08600	5.0
85.06515	1.7
88.07628	4.9
91.05463	34.4
92.05794	1.3
93.07030	15.2
95.04946	1.7
95.08594	9.6
97.06525	1.7
97.10127	1.2
105.07016	51.5
106.08645	1.5
107.04942	1.2
107.08564	8.3
109.06473	2.8
109.10155	4.6
115.05428	0.9
117.06982	9.6
119.08564	39.6
120.08929	1.2
121.06479	1.7
121.10105	4.6
123.08007	1.3
128.06281	1.0
129.06956	3.0
130.07788	1.0
131.08551	13.8
133.10112	25.2
135.08057	1.2
135.11662	1.5
143.08536	3.0
145.10100	10.8
147.08025	0.9
147.11662	24.1
149.09651	4.1
157.10106	3.2
159.11676	13.0
161.09598	1.4
161.13210	7.8
163.11134	2.3
165.12627	0.9
169.10062	2.2
171.11623	2.4
173.13185	4.6
175.11092	1.2
175.14772	1.5
183.11658	3.5
185.13213	8.3
187.11226	1.0
197.13234	2.5
199.14767	1.0
201.16322	1.4
203.14340	6.2
219.17380	1.1
239.17984	4.6
257.18985	9.0
257.26602	2.4
275.20029	100.0
275.27701	32.1
276.20438	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.2
55.01864	1.7
55.05282	1.1
55.05508	13.0
57.03420	4.8
57.07055	1.9
59.58632	0.7
65.03926	1.4
65.99103	0.7
66.05029	0.7
67.05496	14.7
69.07056	10.0
69.67726	6.0
70.06577	4.2
71.04960	1.4
71.06887	1.3
71.08614	1.0
79.05486	12.7
81.06612	1.0
81.07049	13.7
83.04946	1.8
83.08598	4.7
85.06516	2.5
88.07619	5.6
89.07942	1.9
91.05470	37.0
93.07037	14.3
95.04919	2.0
95.08597	10.0
97.06518	2.1
97.10137	1.5
102.09158	0.9
103.05433	1.0
105.07019	54.7
106.07309	1.1
106.08624	1.8
107.04949	1.9
107.08553	9.5
109.06493	2.3
109.10143	3.9
111.08039	0.9
115.05444	0.9
117.07002	10.3
119.08567	37.6
121.06469	1.6
121.10124	4.9
123.08037	1.8
123.11675	0.9
129.06969	3.4
130.07759	0.9
131.08548	13.0
133.06389	0.8
133.10112	28.2
135.08026	2.0
135.11705	2.1
137.09560	1.2
141.07021	1.2
143.08546	3.6
145.10107	13.8
147.11665	27.5
149.09613	4.5
155.08534	1.7
157.10127	4.0
159.11661	11.3
161.09659	1.0
161.13237	8.4
163.11154	1.8
169.10135	1.9
171.11676	2.8
173.13210	4.5
174.05563	0.8
175.11200	1.6
175.14819	1.1
183.11699	2.6
185.13239	6.0
189.12663	1.2
191.14326	0.8
197.13281	2.5
201.16290	1.4
203.14288	4.8
205.12288	0.8
219.01695	0.8
219.13835	1.0
219.17346	1.7
229.19508	1.6
239.17896	3.7
247.20569	1.2
257.18973	10.3
257.26620	2.1
275.20032	100.0
275.27722	41.1
276.20425	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.00979	0.6
53.03942	1.2
55.01860	1.8
55.05507	12.0
55.53170	0.8
57.03434	0.8
57.07061	1.0
65.03928	0.7
67.05496	14.1
69.06759	0.7
69.07061	7.9
69.54566	1.1
69.54978	5.1
71.04968	1.8
77.03916	0.9
79.05481	15.1
81.07048	15.9
83.04993	1.1
83.08608	4.4
85.06516	0.9
91.05470	39.2
93.07037	13.9
95.04942	2.4
95.08598	9.9
97.06510	1.7
97.10143	1.8
103.05425	1.5
105.07018	54.2
107.08572	9.9
109.06497	1.5
109.10159	4.1
117.07007	9.6
119.08569	32.5
121.06467	1.5
121.10119	6.0
123.08045	1.6
123.11671	0.8
125.09627	0.8
129.06985	2.0
131.08546	10.5
133.10112	32.4
135.08037	1.8
135.11647	2.7
137.09642	0.8
141.07005	0.9
143.08521	2.2
145.10121	12.5
147.11674	23.1
149.09605	2.7
149.13223	1.3
151.11191	1.0
155.08626	1.1
157.06737	0.9
157.10124	2.3
159.11678	9.7
161.09593	1.4
161.13248	5.8
163.11151	1.2
169.10139	1.9
171.11746	2.0
172.07002	0.8
173.13255	3.8
173.37187	0.7
175.11147	1.4
175.14906	1.6
177.12715	1.0
178.45712	0.8
183.11671	2.6
185.13251	1.0
187.14738	1.0
189.12701	0.8
197.13243	2.0
203.14333	0.9
215.17940	0.9
219.13757	0.9
229.19411	1.3
239.17926	2.9
247.20660	1.4
257.19043	6.0
261.02798	0.7
274.19565	0.7
275.05231	0.8
275.20032	100.0
276.20352	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.39823	0.6
55.01852	1.6
55.05505	13.6
57.03415	1.9
59.05008	0.6
67.05495	12.8
69.07064	8.9
69.21462	0.7
69.45532	0.6
71.04978	1.4
71.15727	0.6
74.07671	0.6
79.05029	0.8
79.05485	14.6
81.07046	14.1
83.04943	1.7
83.08607	5.2
85.06526	1.5
91.05466	39.1
93.07033	14.0
95.04922	1.2
95.08598	11.1
97.06532	1.6
97.10147	1.7
98.20652	1.4
103.05435	2.1
105.07014	61.7
106.07310	0.7
107.04921	0.9
107.08567	11.0
109.06479	2.0
109.10139	4.3
110.68472	0.6
111.08068	1.1
115.05448	1.1
117.07008	10.2
117.58322	0.6
119.08560	34.8
121.06473	1.4
121.10087	2.9
123.08037	0.8
123.11692	1.4
125.09559	0.7
129.06992	2.7
130.07767	0.7
131.07652	1.1
131.08559	14.2
132.09283	0.6
133.10112	33.5
135.08060	0.9
135.11676	2.1
138.59766	0.7
141.06940	0.8
143.08556	4.4
145.10104	15.4
147.11664	29.6
149.09560	3.6
151.11134	0.9
155.08546	0.8
157.10088	2.3
159.11682	11.8
161.09601	1.1
161.13266	6.1
163.11125	2.4
167.05063	0.6
169.10045	1.5
171.11674	1.9
173.13254	3.8
175.11125	0.9
175.14790	1.5
181.12209	0.8
183.11671	2.8
185.13263	5.2
187.11203	1.4
197.13225	1.6
201.12869	1.0
201.16359	1.5
203.14282	4.5
206.47728	0.7
211.14819	0.8
219.17337	1.5
229.19496	1.5
239.17879	3.6
257.18979	9.7
275.20023	100.0
275.27759	2.2
276.20303	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01858	1.7
55.05498	11.5
55.98742	0.9
57.03439	1.2
62.32437	1.0
63.89990	0.9
65.03931	1.4
67.05495	14.0
69.03410	1.4
69.07056	10.9
69.48271	9.4
71.04966	2.3
79.05484	17.1
81.07037	14.8
83.04977	1.9
83.08583	3.4
85.06522	2.5
91.05466	37.8
93.07037	13.3
95.04932	3.6
95.08588	17.8
97.02875	1.7
97.06491	2.1
97.10173	1.6
103.05474	1.9
105.07013	49.6
107.08578	11.9
109.06487	3.1
109.10160	5.7
111.08043	1.8
115.05424	3.0
116.75797	1.0
117.06988	10.1
119.08562	29.5
121.06477	2.0
121.10133	6.6
123.11674	1.5
129.06976	2.3
131.04878	1.6
131.08542	13.1
133.10109	27.3
135.08023	1.9
135.11659	4.5
137.09581	1.7
139.11075	1.1
141.06950	2.8
143.08534	2.7
144.05705	2.3
145.10095	12.3
147.08025	1.3
147.11662	27.5
149.09581	3.5
149.13248	3.7
155.08548	1.8
157.10106	3.0
159.08087	1.7
159.11707	7.6
161.05920	2.1
161.13243	8.7
163.11166	3.4
169.06412	1.4
169.10094	2.0
171.11722	1.5
173.09634	1.3
173.13229	5.0
175.11174	1.9
183.11676	1.9
185.05949	2.3
187.07452	2.6
191.05905	1.6
197.13206	1.9
201.16321	1.1
211.14664	1.2
215.07111	1.4
215.14340	1.3
225.91347	1.2
229.04843	2.1
229.08583	2.1
229.15829	1.3
229.19446	1.2
239.17966	3.9
247.09602	1.6
257.19009	7.4
259.06052	1.2
275.05591	6.1
275.08954	8.8
275.13480	1.9
275.20023	100.0
276.20361	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03918	1.0
55.01859	1.1
55.05505	14.0
57.03418	2.6
67.05496	14.3
69.07058	9.2
71.04958	1.9
71.10907	1.1
71.11221	1.6
79.05481	14.3
81.07044	13.9
83.04951	1.4
83.08614	7.2
85.06550	1.8
91.05466	39.3
91.24243	0.8
93.07030	13.9
95.04939	1.5
95.08588	10.4
97.06505	1.0
97.10137	1.8
103.05463	1.8
105.07014	52.8
106.07313	1.3
107.04967	1.2
107.08569	9.9
109.06498	2.0
109.10152	4.0
111.08083	1.4
117.07000	9.4
119.08566	33.4
119.09415	1.6
120.08933	0.8
121.10136	3.2
123.08102	1.3
123.11691	1.3
125.09623	1.3
129.06981	3.3
131.08539	13.4
133.10114	32.5
135.11705	2.1
137.09532	0.9
143.08498	2.5
145.10101	16.1
147.11668	31.4
148.12009	1.5
149.09584	3.4
155.08536	1.1
157.10132	3.0
159.11688	13.6
161.13242	8.4
163.11156	2.5
166.96098	0.7
169.10069	1.6
171.11678	2.6
173.13219	3.5
183.11629	2.9
185.13242	5.1
197.13269	1.7
201.16389	1.2
203.14290	4.0
219.17545	0.9
229.19438	0.9
234.62294	0.8
239.17931	3.3
257.18982	9.9
275.20029	100.0
276.20383	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.92026	0.7
53.03931	1.9
55.01855	4.6
55.05243	0.8
55.05503	13.6
56.07495	0.6
57.03413	1.5
57.07053	1.0
61.00800	0.5
63.58617	0.6
63.89177	0.6
65.03923	1.0
67.05495	16.4
69.03394	1.2
69.07059	10.1
69.37490	6.7
70.06568	1.1
71.04980	2.3
79.05482	19.0
81.07040	18.2
81.30959	0.6
83.04954	2.7
83.08608	5.4
85.06516	1.2
88.07610	0.9
91.05466	33.1
93.07034	17.7
95.04956	4.8
95.08599	11.4
97.06504	3.0
97.10146	1.8
100.91278	0.7
103.05415	1.1
105.07013	47.8
107.04927	4.6
107.08575	16.6
109.06527	3.4
109.10139	5.9
111.08053	1.6
113.05989	0.8
115.05422	1.0
115.81025	0.6
116.46116	0.7
117.07003	8.1
119.08567	26.8
121.06495	4.0
121.10136	6.8
123.08047	1.8
123.11697	1.6
125.09591	2.3
129.06982	2.2
131.08542	15.0
133.06491	0.7
133.10107	30.6
135.08046	3.4
135.11667	4.3
137.09590	2.0
141.07001	1.1
143.08554	2.5
145.10104	12.9
146.10672	0.8
147.08046	1.8
147.11665	20.4
149.09590	8.3
149.13217	1.2
151.11070	0.6
152.70822	0.7
155.08537	1.2
157.10101	2.7
159.11664	9.1
161.09596	1.8
161.13210	6.1
163.11171	4.2
169.10086	1.7
171.11691	3.0
173.09566	1.1
173.13214	3.6
175.11090	1.3
175.14742	0.9
175.87001	0.6
177.12726	1.2
179.10643	0.9
181.12244	0.6
183.11722	3.6
187.11185	0.8
197.13252	2.3
201.12726	0.9
201.16365	0.7
211.14874	1.0
215.17836	1.0
219.13748	0.9
227.19365	0.7
229.19456	2.6
233.15421	1.0
233.18910	0.9
239.17938	4.3
247.20528	2.6
257.18954	11.1
275.05209	1.0
275.20026	100.0
275.27615	5.1
276.20538	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	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03920	2.2
53.06361	1.1
55.01862	8.3
55.05504	16.1
65.03950	1.5
67.05493	21.3
69.03364	1.1
69.06750	1.1
69.07062	14.5
69.54298	9.6
75.49493	1.0
79.05481	26.0
81.03373	1.4
81.07042	35.5
83.04967	3.3
83.08619	5.9
85.06520	1.5
91.05465	50.3
91.71677	0.9
91.75163	1.1
93.07028	19.7
95.04967	5.8
95.08584	17.0
97.06528	9.9
97.10146	3.1
103.05436	1.9
105.07012	100.0
106.07344	1.3
107.04931	5.5
107.08575	13.7
109.06514	2.0
109.10136	3.6
111.08070	1.3
111.63768	1.0
115.05461	1.8
117.06986	11.3
119.08559	42.2
121.06456	1.7
121.10146	5.7
123.08025	2.5
123.11676	2.0
125.09559	1.8
129.06972	2.2
131.08543	20.1
133.10107	54.4
135.08012	2.7
135.11661	3.8
137.09557	1.3
143.08553	3.0
145.10092	17.3
146.10782	1.3
147.11668	22.4
149.09584	4.5
149.13252	1.7
151.11169	1.5
155.08505	2.2
157.10107	3.8
159.11664	9.6
161.09540	1.1
161.13203	5.5
163.11163	3.2
165.09108	1.5
169.10112	2.5
171.11632	2.7
173.13223	1.2
177.12706	2.0
183.11705	2.8
184.40276	1.4
187.11099	1.4
197.13205	2.4
211.14877	1.1
214.32410	1.0
229.19467	1.9
233.15483	1.1
239.17996	2.0
247.20480	1.9
257.18951	9.3
275.20013	90.0
276.20432	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	275.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38660	0.7
52.74944	0.7
53.11540	0.6
56.96546	2.8
58.99856	1.3
65.03924	1.6
67.05492	2.5
69.03416	1.5
71.36133	0.9
71.36476	0.8
81.51611	0.6
82.99861	2.1
83.04967	2.3
84.08109	0.9
91.92370	0.6
93.03374	1.4
95.04951	3.6
97.02876	1.5
98.97552	4.0
101.00861	26.6
103.02404	2.3
104.64964	0.6
108.89098	0.7
109.01395	1.9
111.04423	1.8
113.00009	0.9
115.02414	1.9
116.98602	2.6
117.03966	2.2
119.01898	100.0
120.01950	3.2
121.02868	5.1
125.04477	0.8
127.02393	9.5
129.03955	1.7
131.01892	2.1
133.03429	3.3
134.99635	0.7
135.04977	2.2
137.02933	27.1
137.03989	1.4
138.02982	1.0
139.02304	1.0
139.03882	1.3
141.03940	1.9
142.03479	2.7
143.01884	6.2
143.05527	1.8
145.03436	64.8
146.03574	2.2
147.01355	2.1
147.04999	1.3
151.02382	1.5
153.03934	1.5
157.03445	12.2
158.99660	0.9
159.05006	11.5
160.02240	0.7
161.02922	13.7
161.06578	1.4
163.04523	7.0
165.02466	0.8
167.01859	1.6
168.04997	0.9
169.03436	47.4
170.03568	1.3
171.01364	3.5
171.04994	9.7
173.02942	1.9
175.04488	4.6
177.00853	1.3
177.06032	4.7
179.03986	0.8
185.02930	23.1
185.06519	2.4
187.04486	78.0
188.04655	2.2
189.02437	5.0
189.06068	2.6
191.04051	0.8
195.04970	4.4
197.02930	12.1
201.02539	0.8
203.03986	10.0
205.05521	12.4
207.03490	2.3
210.06090	2.5
211.04416	4.0
213.02373	2.9
213.06049	2.7
215.03963	17.3
221.02953	3.7
224.99310	0.6
228.98022	2.2
229.05527	32.0
230.05711	1.8
231.03467	6.0
233.01558	1.0
233.04927	1.0
238.05750	0.8
239.03952	3.4
240.34518	0.7
247.06604	22.9
249.04555	2.0
257.04941	3.8
270.08109	1.4
275.06070	75.4
276.06277	3.6
293.03796	1.0
293.07053	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	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03916	1.3
55.01854	2.7
55.05507	14.1
57.03434	2.3
67.05492	17.3
69.07053	8.8
71.04964	1.4
71.10892	3.5
79.05485	20.2
81.07043	24.2
83.04951	2.7
83.08604	5.3
85.06518	1.9
91.05466	49.8
91.06038	2.6
93.07034	16.7
95.04951	2.4
95.08591	11.3
97.06519	2.1
97.10141	2.1
105.07014	68.6
107.04917	2.6
107.08566	13.2
109.06514	2.2
109.10128	5.3
117.06995	10.3
117.93826	1.1
119.07736	2.3
119.08559	36.8
121.06486	2.4
121.10112	5.4
123.08031	2.7
123.11616	1.4
127.07597	1.1
129.07010	2.2
131.03053	1.3
131.08551	16.8
133.10112	45.2
134.10463	1.7
135.08032	2.3
135.11655	4.1
137.09447	1.3
143.08537	3.0
145.10110	13.9
147.11653	23.2
149.09541	6.8
151.11154	1.5
155.08516	1.4
157.10118	3.4
159.11664	10.5
161.13251	5.1
163.11122	2.3
166.72940	1.4
171.11655	4.2
173.13226	5.3
183.11671	3.2
187.11133	1.5
197.13274	3.3
201.12775	1.8
229.15880	1.4
239.17900	3.6
257.19009	9.6
275.20026	100.0
275.27621	5.8
276.20300	5.1
293.55249	1.3
295.45486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81775	14.3
55.01866	21.9
55.05495	18.2
56.96551	26.8
65.21239	16.4
67.05489	25.5
69.03416	29.1
69.07069	18.7
69.78397	17.1
69.78699	100.0
70.06564	16.3
79.05506	28.2
81.07051	18.4
81.28233	15.1
84.08121	39.9
84.96078	14.0
85.02891	21.7
85.06541	14.2
90.18119	15.8
93.07029	16.5
95.05006	16.3
98.97562	68.6
105.07004	43.5
107.04919	17.6
107.08573	19.6
113.00014	67.8
113.05942	18.9
116.98653	77.6
119.08612	21.3
123.04440	20.8
131.08504	22.4
133.10091	25.7
134.99643	41.9
139.22978	15.0
145.10129	18.4
147.11612	15.6
158.21169	17.9
159.33598	13.6
164.93759	15.8
169.06577	15.1
173.05779	16.1
177.00677	41.6
195.01729	54.5
201.05615	20.8
214.05980	16.7
229.08606	23.5
253.02303	14.2
274.27432	25.7
275.05344	42.2
275.08881	38.4
275.20007	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	275.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38660	0.7
52.74944	0.7
53.11540	0.6
56.96546	2.8
58.99856	1.3
65.03924	1.6
67.05492	2.5
69.03416	1.5
71.36133	0.9
71.36476	0.8
81.51611	0.6
82.99861	2.1
83.04967	2.3
84.08109	0.9
91.92370	0.6
93.03374	1.4
95.04951	3.6
97.02876	1.5
98.97552	4.0
101.00861	26.6
103.02404	2.3
104.64964	0.6
108.89098	0.7
109.01395	1.9
111.04423	1.8
113.00009	0.9
115.02414	1.9
116.98602	2.6
117.03966	2.2
119.01898	100.0
120.01950	3.2
121.02868	5.1
125.04477	0.8
127.02393	9.5
129.03955	1.7
131.01892	2.1
133.03429	3.3
134.99635	0.7
135.04977	2.2
137.02933	27.1
137.03989	1.4
138.02982	1.0
139.02304	1.0
139.03882	1.3
141.03940	1.9
142.03479	2.7
143.01884	6.2
143.05527	1.8
145.03436	64.8
146.03574	2.2
147.01355	2.1
147.04999	1.3
151.02382	1.5
153.03934	1.5
157.03445	12.2
158.99660	0.9
159.05006	11.5
160.02240	0.7
161.02922	13.7
161.06578	1.4
163.04523	7.0
165.02466	0.8
167.01859	1.6
168.04997	0.9
169.03436	47.4
170.03568	1.3
171.01364	3.5
171.04994	9.7
173.02942	1.9
175.04488	4.6
177.00853	1.3
177.06032	4.7
179.03986	0.8
185.02930	23.1
185.06519	2.4
187.04486	78.0
188.04655	2.2
189.02437	5.0
189.06068	2.6
191.04051	0.8
195.04970	4.4
197.02930	12.1
201.02539	0.8
203.03986	10.0
205.05521	12.4
207.03490	2.3
210.06090	2.5
211.04416	4.0
213.02373	2.9
213.06049	2.7
215.03963	17.3
221.02953	3.7
224.99310	0.6
228.98022	2.2
229.05527	32.0
230.05711	1.8
231.03467	6.0
233.01558	1.0
233.04927	1.0
238.05750	0.8
239.03952	3.4
240.34518	0.7
247.06604	22.9
249.04555	2.0
257.04941	3.8
270.08109	1.4
275.06070	75.4
276.06277	3.6
293.03796	1.0
293.07053	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	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03922	1.5
54.25490	1.5
55.05505	14.0
57.07061	8.9
61.66287	1.5
63.66494	1.5
67.05502	22.1
69.07063	34.5
79.05487	12.2
81.07047	70.2
83.08617	12.5
88.83302	1.4
90.36420	1.4
91.05468	10.5
93.07029	32.3
95.04959	3.2
95.08595	66.4
95.09208	3.6
97.10149	11.1
105.07013	23.1
107.08580	48.1
107.72987	1.8
109.10143	51.9
111.11696	3.7
119.08562	23.4
121.10122	42.0
123.11693	39.5
133.10100	16.2
135.08086	2.4
135.11676	32.1
137.06035	1.9
137.13219	12.8
145.10168	2.1
147.11673	17.3
149.13245	45.6
149.14467	2.5
151.14799	5.9
159.11696	1.9
161.13243	24.9
163.14801	26.8
164.15228	1.8
165.16386	3.4
175.14803	14.1
177.16379	19.6
189.16354	22.1
191.17911	10.9
203.17926	20.6
217.19476	26.8
231.21120	4.8
273.07678	1.9
273.18442	3.3
273.25735	100.0
274.26065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73154	0.7
54.04062	0.8
56.96559	80.6
57.03422	0.9
69.03418	1.6
70.37064	3.5
70.98112	36.8
70.98515	1.8
71.95250	2.5
73.02868	0.7
74.97582	3.0
75.62466	0.7
75.91486	0.7
84.08124	1.4
84.96005	2.6
85.02869	1.9
87.07878	0.8
88.99150	16.2
97.02876	1.0
97.99165	1.4
98.97569	44.8
101.00882	2.0
107.00219	3.7
110.97549	7.1
116.98606	34.3
119.01920	8.6
124.95473	0.9
125.01221	0.8
125.07063	2.5
126.32978	0.8
128.98610	9.8
131.01813	1.0
133.03448	0.9
134.99637	14.0
137.02953	2.0
140.00113	1.2
142.96460	1.2
145.03453	3.0
146.99628	17.4
153.00702	2.1
154.96434	4.5
157.03427	0.9
158.99646	1.5
159.05057	0.9
161.02953	2.4
162.99022	0.7
165.00713	13.7
169.03549	1.0
170.01193	0.9
170.96088	1.5
172.94417	1.2
172.97560	37.1
173.02928	1.8
174.67120	0.8
174.99146	1.7
177.00662	1.4
177.05908	0.8
183.01768	1.8
185.02890	3.2
186.99109	1.4
187.02858	1.0
187.04471	2.2
188.97066	4.4
189.02432	1.1
190.98613	100.0
191.99046	1.6
193.00208	1.2
195.99120	1.0
200.97011	1.4
202.98676	1.2
203.03995	3.5
205.00203	9.8
205.03793	0.9
206.98056	2.7
208.99661	22.0
214.00198	3.1
214.98596	4.1
215.04010	1.5
218.98077	18.1
220.99635	2.5
223.01151	4.8
231.03506	1.2
232.72685	0.9
232.96400	2.2
232.99657	43.1
234.99644	1.0
236.99176	7.7
250.97977	1.7
251.00703	33.0
256.01285	2.3
256.96442	3.2
269.01749	2.8
274.97464	29.0
275.00476	1.1
275.06091	1.5
292.98538	19.9
293.03622	1.5
297.99097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01863	4.4
55.05511	11.4
57.03417	1.3
57.07071	0.9
59.04971	0.8
62.92179	0.5
65.03915	1.7
65.74115	0.5
67.05501	14.2
68.63402	0.5
69.03418	1.4
69.07058	6.9
69.37663	5.3
71.04983	1.5
73.72420	0.7
79.05489	11.5
81.03391	1.4
81.06618	1.0
81.07050	12.1
83.04958	2.1
83.08601	4.1
85.06528	1.0
91.05472	27.8
93.07037	9.8
95.04964	4.0
95.08597	8.1
97.06511	1.6
97.10168	1.5
98.21445	0.8
99.08092	0.7
103.05458	1.5
105.03363	1.2
105.07020	23.9
107.04947	4.4
107.08580	5.6
109.06512	3.2
109.10152	4.5
111.08051	1.7
115.05416	3.6
116.06202	3.1
117.07007	17.0
119.04927	2.3
119.08572	21.5
119.85049	0.7
121.06513	3.3
121.10168	3.4
123.08041	2.0
125.09633	1.1
128.06219	3.6
129.06985	10.7
130.07779	3.0
131.04884	0.9
131.08554	39.8
132.05716	0.7
133.06470	4.9
133.10143	6.0
133.11064	1.0
135.08035	3.8
137.09639	1.5
141.06979	1.4
142.07742	2.2
143.08539	12.3
144.09309	0.9
145.06479	2.9
145.10104	27.0
146.07275	1.0
147.08038	12.2
147.11656	2.4
149.09583	2.6
151.11021	0.7
155.08566	3.0
157.06451	1.0
157.10121	8.5
159.08049	7.0
159.11647	6.8
161.09605	8.2
161.13203	0.8
163.11160	1.4
167.08543	0.8
169.10112	2.4
171.08029	1.4
171.11697	4.9
173.09560	3.0
173.13268	1.5
175.11163	6.3
177.09155	1.4
177.12694	0.7
181.10120	1.8
183.11650	0.8
185.09581	2.4
185.13231	1.9
187.11166	1.6
189.05511	1.4
189.12679	2.2
191.10736	0.8
195.11687	2.1
199.11162	3.4
199.14789	1.3
203.10664	1.1
205.12233	0.8
209.13179	1.3
211.14694	1.6
213.12759	0.9
215.14297	0.7
217.12224	0.9
227.17854	3.4
231.02869	1.5
237.16322	3.9
245.18974	3.4
255.17369	9.2
273.18472	100.0
273.29919	1.4
274.18900	2.6
274.27441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	2.6
55.01855	5.0
55.05503	16.6
57.03413	4.6
67.05495	17.2
68.99768	1.1
69.03415	2.2
69.07062	10.7
70.65039	4.1
71.04976	2.6
79.05490	19.1
81.03405	1.7
81.06618	1.8
81.07050	22.2
83.04961	3.1
83.08612	6.5
85.06529	1.9
91.05472	36.7
93.07035	15.8
95.04949	4.8
95.08587	13.5
97.02876	2.0
97.06516	2.1
97.10155	2.8
103.05458	3.5
105.06352	2.1
105.07021	31.4
107.04924	3.4
107.08580	11.4
109.06472	5.9
109.10146	6.4
115.05431	5.3
116.06214	4.0
117.07000	30.0
119.04892	3.1
119.06047	1.1
119.08571	23.9
121.06482	5.8
121.10121	4.8
123.04401	18.1
123.08066	3.6
125.09607	1.5
128.06181	7.0
129.06992	17.0
130.07797	6.9
131.04921	2.5
131.08554	39.1
132.05722	1.3
133.06436	5.7
133.10127	9.2
135.08051	5.8
135.11696	2.6
137.02295	2.9
137.05966	16.4
137.09627	2.6
137.90979	1.1
141.06956	3.6
142.07770	4.2
143.08548	19.8
144.05649	1.6
144.09337	2.6
145.06439	5.0
145.10104	48.9
147.08029	15.9
147.11644	5.8
149.05930	8.4
149.09570	4.3
151.07448	1.3
155.08543	2.1
156.09326	2.0
157.06500	1.6
157.10117	18.1
158.10934	1.2
159.04391	8.3
159.08031	6.8
159.11667	15.2
161.06006	2.2
161.09612	7.6
163.07547	2.8
163.11160	3.1
165.09126	1.8
167.08485	1.5
169.10104	3.5
171.11670	9.2
173.09595	3.8
173.13228	4.0
174.03117	1.5
175.11147	6.6
181.10114	3.1
183.11676	2.5
185.09601	1.7
185.13252	2.7
187.11134	2.1
189.05464	14.4
189.12752	2.9
189.16301	1.5
195.11682	4.0
197.05811	1.1
199.07457	1.4
199.11177	4.5
199.14876	3.0
201.09106	3.1
201.12663	1.5
203.03308	1.5
209.13217	1.6
211.14786	1.8
213.12828	1.9
213.16360	1.5
215.07034	1.3
215.14232	1.2
217.12286	1.2
217.15852	4.2
217.19588	1.3
227.07014	1.4
227.17943	4.6
231.02870	12.2
237.16373	5.7
245.08020	2.1
245.18983	3.0
255.06575	1.4
255.17448	12.1
273.07501	9.3
273.18463	100.0
273.25598	5.4
274.18793	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03927	2.1
55.05494	5.8
55.77200	1.9
57.07049	2.1
58.31404	1.7
59.60082	2.4
67.05486	6.9
69.03409	2.4
69.07051	7.0
69.41006	1.8
70.76954	7.1
71.04963	4.8
71.22194	1.8
79.05466	5.8
81.07024	9.0
83.04964	4.3
83.08588	1.8
85.06529	3.4
91.05473	13.6
93.07013	8.6
95.04948	19.3
95.08569	7.5
97.02910	2.6
99.08076	2.7
105.07008	20.4
107.08572	13.6
109.06501	27.6
109.10123	8.9
111.08067	5.6
113.06002	2.1
117.07002	4.6
119.08553	26.1
121.10094	5.1
123.04446	2.9
123.08041	26.2
123.11703	4.2
129.06984	6.3
130.07787	2.6
131.08565	13.8
133.10101	13.0
135.08029	10.2
137.09612	8.3
141.06972	2.4
142.07741	7.4
143.08531	11.9
145.10101	37.3
147.08047	6.5
147.11661	17.6
149.09543	3.1
151.07518	5.2
151.11162	4.7
155.08505	4.0
156.09290	10.4
157.10100	21.4
158.10925	3.4
159.04396	2.9
159.08083	2.7
159.11659	11.7
161.09605	8.3
161.13190	2.6
163.11139	3.8
167.08417	2.4
169.10063	6.8
170.10869	2.4
171.11633	21.2
172.12408	3.5
173.09612	10.8
173.13213	25.6
174.10410	3.1
175.11165	10.6
181.10110	2.6
182.10918	5.6
183.11708	3.7
185.13219	8.4
187.11163	12.3
187.14795	6.9
189.05476	6.5
189.12701	20.3
195.11697	3.4
196.12424	2.1
197.13239	14.4
199.11095	11.9
200.11868	2.5
203.14304	4.1
211.14812	3.3
213.12621	5.0
213.16298	12.4
215.14284	34.8
217.12123	9.3
222.13960	2.4
225.12636	4.6
227.17783	3.9
229.15833	3.3
231.13783	3.3
231.17340	12.7
234.86226	1.9
237.16315	3.9
240.14851	3.5
243.13710	3.5
255.17418	33.9
273.07373	2.2
273.18448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	Neovestitol
Peak:m/z	Relative Intensity
53.03933	1.1
55.01857	2.1
59.12215	0.4
65.03931	0.5
67.05496	3.6
68.99783	7.4
69.03424	1.0
69.07037	0.6
69.73691	2.9
73.94799	0.4
77.03947	0.6
79.05478	4.5
81.03368	0.5
81.07040	9.6
91.05463	3.9
93.07030	3.7
94.04152	0.8
95.04947	5.8
95.08602	0.7
97.02875	11.0
103.05453	5.3
105.03397	0.7
105.07011	2.9
107.04944	2.0
107.08565	0.9
109.06503	5.7
115.05441	1.5
117.06999	0.5
119.04916	0.5
119.08584	0.8
120.33775	0.4
121.06488	11.5
121.10139	0.5
122.06731	0.4
123.04411	93.8
124.04739	1.0
126.55930	0.4
129.06981	0.9
131.04915	1.3
131.08549	0.9
133.06476	1.2
135.08037	2.4
137.05954	100.0
138.06299	0.9
141.06949	1.1
143.04910	1.3
145.10071	0.7
146.03610	2.4
147.04414	0.5
149.05959	40.5
150.06363	0.5
151.07513	4.9
152.06171	0.5
153.06952	0.8
157.06418	1.1
159.04346	1.2
160.05174	0.6
161.05975	3.8
163.07538	5.7
166.92439	0.4
169.06380	0.4
171.04428	0.8
171.11705	0.6
174.03102	7.9
175.07523	1.1
181.06468	1.0
183.04399	0.7
185.05952	0.6
189.05440	56.3
190.05736	0.8
197.05945	0.9
199.07515	1.6
200.04735	0.6
201.05418	0.7
203.07098	0.7
207.06552	2.2
212.04652	0.7
213.09091	0.5
215.06963	4.4
217.08482	0.9
227.07043	2.3
231.02817	1.4
231.06430	0.6
245.08022	0.7
255.06485	5.3
255.17311	0.7
273.07504	10.8
273.11142	6.4
273.18433	1.8
273.21310	0.4
273.25784	0.7
274.08054	0.6
293.94302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1115
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
53.03945	2.0
55.01856	2.3
55.05511	1.2
56.57272	0.6
57.02488	0.7
64.73783	0.8
65.69511	0.6
67.05482	3.6
68.99783	8.0
69.07069	1.3
69.63944	2.7
69.64380	2.7
79.05479	6.8
81.03394	0.9
81.07039	12.1
81.07479	0.8
91.05470	4.7
93.07033	6.0
95.04953	5.5
95.08607	2.8
97.02870	4.0
97.06535	0.9
103.05467	6.2
105.07007	5.5
107.04919	3.4
107.08590	2.6
109.06506	8.2
109.10158	2.1
115.05380	1.4
117.06971	1.1
119.08587	2.2
121.06485	18.8
121.10097	1.8
123.04411	95.8
129.06978	1.5
131.04900	2.6
131.08517	2.1
133.06468	1.0
133.10143	1.4
135.08023	5.3
135.11650	0.7
137.05954	100.0
138.06343	0.8
143.04770	0.7
145.10086	1.0
146.03595	0.9
147.04391	1.1
149.05954	62.5
149.13216	1.5
150.06258	1.4
151.07523	5.2
153.01784	1.8
157.06514	1.2
157.10085	1.1
159.04388	2.9
160.05292	0.8
161.05920	2.1
163.07509	9.4
173.06039	1.1
174.03081	3.3
174.06761	1.0
177.05397	1.0
177.16374	0.9
185.05940	1.3
187.03856	3.0
189.05438	27.5
195.08083	0.8
199.07430	1.7
201.05440	1.5
201.09070	1.0
202.06174	1.6
207.06390	0.9
213.05521	1.2
215.03322	3.2
215.07034	1.6
217.08363	1.1
217.19745	0.9
226.02679	0.8
227.06953	1.7
229.04929	1.5
230.05663	8.4
231.02901	2.7
241.04927	1.3
243.02866	2.2
245.08000	1.1
255.06488	0.8
255.17389	1.0
258.05167	8.7
273.07449	31.6
273.11029	7.2
273.14420	1.1
273.18405	2.7
273.25793	4.0
274.07675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
52.25232	1.0
53.03933	2.1
55.01859	2.8
55.05497	1.2
57.84432	0.8
58.76889	0.8
60.50954	0.8
67.05494	3.8
68.99780	7.5
69.07058	1.1
69.67682	2.1
69.68082	5.4
75.06430	0.9
79.05480	3.8
81.07054	10.0
83.98382	0.8
91.05476	5.8
93.07043	5.9
95.04958	6.5
95.08591	1.8
97.02878	2.8
103.05458	6.3
105.07018	3.9
107.04937	3.6
107.08584	1.2
109.06493	5.9
115.05462	1.6
117.04964	0.9
117.07015	1.0
119.08555	1.3
121.06495	19.6
123.04415	89.7
124.04794	1.0
128.06256	1.0
129.06943	1.1
131.04904	1.9
131.08473	1.0
133.06488	1.0
133.10124	1.8
135.08025	1.9
135.11639	1.2
137.05962	100.0
138.06340	1.1
145.10132	0.9
147.04385	1.8
148.55496	0.9
149.05962	62.9
151.07498	4.1
159.04420	1.4
160.05127	0.9
161.06007	1.3
163.07530	11.1
174.03094	1.6
175.07510	1.0
179.88132	0.9
181.06490	0.9
185.09547	0.9
187.03925	1.3
189.05444	17.6
201.09102	1.4
215.03241	1.1
215.06952	1.8
230.05693	3.4
231.02902	1.5
243.95900	1.0
255.06584	1.1
258.05185	2.7
273.07568	13.6
273.11133	8.3
273.18503	1.9
273.25821	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	273.0753
Annotation	Microminutin
Peak:m/z	Relative Intensity
53.05287	0.4
60.10881	0.5
68.99729	0.4
69.03403	1.1
70.92646	0.9
71.42908	0.4
79.05485	1.0
83.27164	0.5
85.33537	0.4
91.05440	1.2
97.02876	21.4
98.03220	0.5
103.05428	1.7
105.07020	3.0
115.05456	3.1
119.04903	1.3
128.06242	0.7
129.06992	0.8
131.04852	1.4
132.05655	0.6
133.06467	1.6
139.05391	0.8
141.06943	0.6
143.04903	2.2
145.02768	0.7
146.03606	3.4
147.04399	0.9
155.04849	0.8
156.05739	0.5
157.06438	1.4
159.04388	18.9
160.04794	0.6
161.05966	6.0
167.04942	0.5
169.06412	0.5
171.04428	0.7
172.05132	1.0
173.05946	0.7
174.03119	11.4
175.07518	1.6
177.05486	0.7
183.04443	0.6
184.05164	1.0
185.05911	1.4
187.07559	0.6
189.05440	100.0
190.05791	2.5
191.03334	2.4
197.05939	1.0
199.07515	1.9
200.04678	1.7
201.09091	6.0
203.03352	2.3
207.06476	3.1
212.04706	1.2
213.05458	0.9
215.07025	5.9
217.04836	0.4
217.08572	1.2
227.07077	3.1
230.05635	0.6
231.02853	27.5
232.03189	0.9
239.88693	0.5
245.08012	2.3
255.06555	1.9
273.07550	21.0
273.18527	1.0
274.07834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1116
Annotation	Neovestitol
Peak:m/z	Relative Intensity
53.03939	0.8
54.92931	0.4
55.01866	0.8
55.05492	1.0
58.06618	0.4
62.64359	0.4
65.03926	0.7
67.05502	3.2
68.99781	3.5
69.07065	1.1
69.43311	4.4
70.46749	0.4
72.99100	0.5
75.86194	0.5
77.03928	0.5
79.05479	4.6
81.07045	4.0
83.08585	0.5
91.05474	3.7
93.07026	2.3
94.04176	0.6
95.04948	5.2
95.08588	1.9
97.02883	1.2
103.05452	6.1
105.07008	5.7
107.04935	5.8
107.08568	1.2
109.06490	5.9
109.10124	0.8
115.05466	1.1
117.06984	1.6
119.08548	1.7
120.05713	1.0
121.06504	4.2
121.10121	0.9
123.04412	100.0
124.04681	0.7
129.06969	1.0
131.04898	1.5
131.08553	1.3
132.05692	0.7
133.06485	0.8
133.10100	1.2
135.08020	8.2
135.11691	0.5
137.05957	73.6
138.06290	1.1
143.08556	0.6
145.06430	0.9
145.10094	1.3
147.04364	0.6
147.08026	0.5
148.05162	0.8
149.05963	10.8
149.13231	0.5
151.07523	2.1
157.10103	0.5
159.04391	1.2
159.08102	0.8
159.11703	0.7
161.05914	1.0
161.09566	0.5
163.07520	29.9
171.07974	0.6
174.03159	0.6
175.07547	0.6
177.05521	0.6
189.05418	5.1
231.02727	2.2
255.17186	0.6
273.07599	1.3
273.08664	0.6
273.11377	4.1
273.18439	3.9
273.25763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
53.03947	1.4
53.48654	0.5
55.01869	1.4
55.05499	1.0
57.03429	0.6
66.91053	0.5
67.05496	2.7
68.99784	8.1
69.07056	1.0
69.26842	6.1
78.04697	0.6
79.05489	5.6
81.07049	9.1
91.05480	5.7
93.07037	3.6
94.04181	1.3
95.04964	6.0
95.08597	1.5
95.93701	0.5
97.02874	3.6
103.05464	5.1
105.07015	2.7
107.04944	5.3
107.08590	0.8
109.06508	7.1
112.39813	0.4
117.07026	0.8
119.04943	0.9
119.08595	0.9
121.06496	13.0
123.04415	100.0
124.04733	0.8
129.06984	0.6
131.04889	1.0
131.08487	0.7
133.06509	0.9
135.08026	2.3
137.05960	94.1
138.06325	1.4
143.08575	0.7
145.06468	0.7
145.10124	1.3
147.04375	2.6
149.05966	47.9
151.07498	3.9
153.01859	3.0
153.06952	0.6
159.04338	1.2
161.05936	1.0
161.13301	0.6
163.07521	7.0
167.07005	2.3
174.03069	1.5
189.05447	16.1
190.05646	0.6
199.07527	0.6
206.04576	0.5
215.06938	1.2
231.02817	2.1
255.06331	0.8
273.03760	2.5
273.07242	6.1
273.11108	6.6
273.14087	0.8
273.18369	1.8
273.25714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42590	1.2
53.03931	1.6
55.01862	2.8
55.05516	7.2
56.05013	4.2
57.03424	7.6
58.06578	2.6
61.02903	3.8
62.06090	9.4
65.03909	1.5
66.91253	1.3
67.05478	6.1
69.03416	17.0
69.07040	5.2
70.06577	9.4
71.01343	1.6
71.04978	7.8
71.58016	2.1
72.04505	12.3
72.08133	3.8
73.02914	6.9
74.06058	2.3
79.05468	7.6
80.04993	3.3
81.03412	12.2
81.07039	12.2
82.06560	3.8
83.04970	3.7
83.08605	3.3
84.08134	2.4
85.02872	4.1
85.05278	1.4
87.04456	2.6
88.07612	4.7
91.05460	6.4
92.05013	2.5
93.07029	6.7
94.06531	4.2
95.04946	5.8
95.08595	6.6
96.08104	2.5
97.02859	6.2
97.06547	2.2
97.10098	1.5
98.06028	5.6
99.04443	13.4
100.07619	7.3
104.04971	2.0
105.03353	1.9
105.06999	5.0
106.06554	1.8
107.05005	1.5
107.08558	4.2
109.10169	1.5
112.07600	3.3
114.05498	2.0
114.09187	1.5
115.03936	1.9
116.07043	4.8
116.07830	1.3
117.05490	8.3
118.06537	12.1
119.08548	3.3
120.04453	31.3
121.10060	1.6
122.06008	10.0
123.08015	1.8
124.03871	1.3
124.07552	2.3
130.06493	5.0
132.04434	100.0
134.05991	11.4
138.05447	7.8
138.12730	1.6
143.00128	1.4
144.08055	2.7
146.05995	12.2
147.11661	1.8
149.02345	1.8
149.09572	1.8
150.02631	1.7
150.05484	48.5
154.06522	2.7
158.05965	2.8
165.46768	1.3
166.07288	1.6
170.05930	1.8
172.07536	16.2
177.05344	1.4
181.44438	1.4
182.15375	3.0
188.07036	1.8
189.05437	17.0
190.08575	3.5
193.12254	5.4
200.07028	8.9
201.44771	1.6
203.58342	1.6
210.14864	29.0
211.13225	8.1
215.06859	1.7
216.07335	4.2
218.08105	36.0
225.06638	1.5
226.17978	3.3
228.13658	3.2
228.15921	64.9
236.09090	10.6
236.16304	2.3
244.06831	3.5
244.18962	3.4
254.10162	16.0
254.17485	13.1
272.06766	10.6
272.11279	63.5
272.18515	76.3
273.07443	2.6
273.11444	2.2
273.18716	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	272.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01861	0.3
56.96554	1.6
57.03419	0.5
64.72245	0.2
69.03418	0.5
70.06574	0.5
71.50451	0.2
72.08130	0.2
73.02879	0.5
78.03427	0.9
78.04362	0.2
79.04237	0.2
80.05009	3.3
81.03412	0.4
81.07047	0.3
83.06127	0.3
84.96045	0.2
85.02896	1.4
95.06093	0.3
96.04487	2.7
97.02850	0.5
98.97577	0.7
100.30725	0.2
103.03958	0.3
106.02901	4.0
109.02876	0.2
110.06083	0.2
110.07127	1.4
112.03905	0.2
112.07544	0.2
112.41470	0.2
116.07068	0.4
116.98611	0.4
124.03934	100.0
124.99186	0.3
125.04260	1.2
140.03400	0.5
142.08591	0.2
143.00146	0.8
147.04385	0.3
156.07700	0.2
161.01160	1.1
163.12386	0.2
177.00639	0.3
184.04903	0.2
185.01257	0.2
189.00687	0.3
191.03900	0.3
196.06004	0.6
197.09175	0.6
208.14503	0.3
225.13222	0.2
226.07040	0.5
226.15492	0.2
249.02831	0.6
254.06517	0.7
254.14983	0.2
267.03903	0.8
272.07611	22.0
272.15826	1.4
273.07816	0.4
285.04788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81900	0.7
53.03932	1.9
55.01854	4.2
55.05506	3.8
56.05014	2.5
57.03429	6.3
58.06575	0.8
59.04987	1.1
60.04505	2.7
61.02917	3.3
62.06081	6.0
65.03934	2.1
67.05495	6.3
68.99765	0.7
69.03419	17.6
69.07066	4.4
69.87337	3.9
70.06583	7.8
71.01360	0.9
71.04659	0.7
71.04986	6.8
72.04503	10.5
72.08130	1.9
73.02905	8.8
74.06075	1.0
79.05161	0.6
79.05489	6.6
79.30082	0.6
80.04984	2.0
81.03405	11.4
81.07041	9.7
82.06573	4.1
83.04971	2.2
83.08598	2.1
84.08105	1.5
85.02891	3.3
85.05244	0.9
86.06052	2.5
87.04453	1.6
88.07621	3.6
88.17616	0.7
91.05464	4.1
92.04977	0.8
93.07031	5.2
94.06550	5.3
95.04956	2.4
95.08577	4.5
96.08099	1.7
97.02886	6.8
97.06513	2.2
97.10168	0.8
98.06057	5.5
99.04440	11.1
99.08047	0.9
100.07612	7.0
104.04959	2.8
105.03374	2.7
105.07017	4.0
106.06523	2.6
107.04917	1.8
107.08571	2.4
109.10098	0.8
110.06047	1.0
112.07594	1.5
114.05491	1.1
114.09141	0.7
115.03898	1.6
115.05418	1.4
116.07065	3.6
117.05475	7.2
118.06525	11.0
118.07314	1.2
119.03387	1.5
119.08542	2.0
120.04451	28.5
120.08065	0.9
121.02874	0.8
121.10133	2.2
122.06004	11.3
124.07566	2.0
126.09136	0.9
130.06500	3.8
131.08557	1.4
132.04433	100.0
133.04895	1.3
133.10071	1.6
134.05991	10.7
135.11691	0.8
137.05951	0.9
138.05467	7.2
138.12776	2.8
144.08063	2.7
146.05969	11.5
147.11647	1.3
148.03857	1.1
148.07530	0.8
149.02316	2.5
149.09608	1.3
150.02698	2.4
150.05479	51.2
154.06506	2.5
157.10008	1.0
158.05916	3.7
160.07516	0.8
161.05960	1.2
162.05583	1.6
164.07007	1.2
167.10672	0.8
170.06050	2.2
172.07538	15.2
174.03111	2.4
175.11232	1.2
176.07021	1.2
177.05565	0.8
180.06519	1.0
182.15424	3.2
184.08395	0.9
185.05989	0.7
189.05446	17.8
190.08598	2.9
192.13838	1.2
193.12253	3.0
198.06398	1.0
199.07518	0.8
200.07031	10.3
207.06548	1.3
210.14856	24.6
211.13255	6.6
212.16609	0.8
215.06963	1.4
216.07387	5.0
218.08104	31.6
222.48198	0.7
226.17935	3.5
228.15915	51.4
236.09140	8.4
236.16386	1.5
243.06621	0.9
244.06859	4.6
244.19016	3.5
254.10214	15.1
254.17505	8.4
255.06438	1.2
267.03873	0.9
272.06757	8.5
272.11261	48.9
272.18515	50.3
273.07541	2.7
273.11554	0.9
273.18152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03934	3.0
55.01846	3.7
55.05507	10.8
57.03424	3.2
57.07058	2.2
62.12628	1.7
67.05180	2.2
67.05489	20.6
69.03405	2.2
69.07056	36.3
71.04949	2.5
71.46262	3.0
79.05489	13.2
81.03398	3.4
81.06609	1.9
81.07046	22.2
83.04945	2.0
83.08594	6.7
91.05461	19.0
93.07029	18.1
94.26346	1.7
95.04954	18.7
95.08024	1.8
95.08593	33.2
97.06518	11.7
103.05466	2.0
105.07013	30.6
107.08569	18.4
109.06519	12.0
109.10130	23.1
111.08035	2.1
115.05461	2.3
117.06974	6.4
119.08559	39.1
121.06475	5.5
121.10145	15.1
123.08041	3.7
123.11669	6.9
128.06229	2.9
129.06952	5.9
130.07768	1.8
131.08545	19.9
133.10118	26.7
135.08015	6.2
135.11638	7.4
137.09619	2.0
141.06937	1.8
142.07739	4.1
143.08514	11.2
144.09294	3.3
145.06418	2.6
145.10086	27.1
147.08035	4.6
147.11641	18.6
149.09578	5.6
149.13187	3.3
151.11096	1.9
155.08583	5.2
156.09290	4.4
157.10101	14.1
158.10918	4.2
159.08064	3.1
159.11674	19.0
161.09590	5.3
161.13249	14.4
163.11101	3.0
167.08551	3.2
168.09296	2.0
169.10135	7.9
171.11667	9.3
173.09641	3.7
173.13225	14.7
175.11107	8.2
175.14781	19.8
177.12704	2.2
179.14320	2.6
181.10107	2.3
182.10938	4.0
183.11670	11.1
185.09633	2.4
185.13217	5.1
187.11137	6.4
187.14798	11.6
188.15536	2.7
189.12669	11.3
189.16325	7.5
195.11600	1.7
197.13208	10.3
201.12729	10.1
201.16461	2.3
203.14284	2.6
211.11127	2.1
211.14746	3.8
213.16353	5.1
215.14310	16.4
215.17778	1.7
225.16495	1.8
227.17860	2.1
229.15839	4.0
240.11395	3.1
243.21078	7.0
253.15842	3.3
253.19522	7.5
271.06024	13.9
271.08868	2.2
271.10336	1.8
271.13248	5.0
271.17068	9.0
271.20508	100.0
276.64911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
54.53595	2.0
55.05490	7.0
57.03412	2.2
57.07057	10.6
58.02950	3.9
58.07395	2.3
58.86394	1.7
66.89185	1.7
67.05492	16.1
67.23036	1.7
67.78765	1.9
69.03410	3.4
69.07063	15.7
69.60864	15.1
70.03100	1.7
71.04970	4.8
71.08620	2.3
79.05474	10.8
81.06612	2.6
81.07047	30.3
81.16444	1.7
83.04999	2.2
83.08608	2.9
88.07616	2.7
91.05464	23.4
93.07029	22.7
95.04942	8.3
95.08020	3.3
95.08593	49.7
95.25940	1.8
97.06506	2.3
102.09161	5.2
103.09510	4.2
103.13062	1.5
105.06354	2.9
105.07015	36.0
107.08588	31.2
109.06487	5.9
109.10143	17.5
111.08083	4.8
114.52002	1.8
115.05403	1.8
116.06239	2.2
117.06963	4.4
117.11065	1.6
119.08564	35.8
121.06483	4.2
121.10136	44.3
123.08037	7.0
123.11690	30.7
129.06969	3.3
130.07768	2.2
131.08551	52.3
133.10136	23.4
135.08020	8.2
135.11658	7.8
142.07814	4.6
142.94821	2.2
143.08549	7.8
144.09325	2.4
145.10114	19.1
147.11667	22.5
149.09598	28.1
149.13249	3.3
155.08543	4.9
156.09329	3.7
157.10091	19.8
159.08018	3.0
159.11670	16.8
161.09610	3.4
161.13210	5.4
163.11137	2.0
167.08521	3.8
169.10091	8.0
171.11667	9.7
173.09581	3.2
173.13242	8.1
175.11150	4.5
175.14806	14.2
182.10840	4.2
183.11658	4.3
185.13214	2.0
187.11119	3.3
187.14745	11.6
189.16348	2.7
195.11720	2.4
197.13237	12.9
201.12750	3.1
201.16370	2.2
211.14804	4.3
213.16325	3.3
215.14328	8.2
243.21080	2.4
253.19501	6.4
271.06000	11.7
271.20551	30.7
271.28220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1689
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
53.03940	0.8
55.01857	1.2
55.05502	5.0
57.03426	6.2
57.07057	0.5
57.32943	0.4
59.99062	0.3
60.03327	0.4
67.05500	6.1
69.03410	0.8
69.07057	2.1
69.34248	3.7
71.04968	1.2
71.08638	0.3
79.05478	6.6
81.03403	0.8
81.07044	5.0
83.04966	0.8
83.08623	2.0
83.09020	0.4
86.06069	0.8
88.07644	0.4
91.05460	8.4
93.07034	3.9
95.04960	1.1
95.08591	2.9
97.10142	1.0
98.20760	0.9
100.07594	1.1
103.05476	0.7
105.03345	0.5
105.07024	3.8
107.04953	0.7
107.08576	3.8
109.06499	1.0
109.10135	2.3
111.08059	1.4
115.05453	2.6
116.06231	1.1
117.07006	11.5
119.04944	1.1
119.08562	6.8
121.06500	0.9
121.10120	2.2
123.04411	0.4
125.09641	0.7
128.06165	2.6
129.06975	7.3
131.04893	1.7
131.08536	5.3
133.06427	2.0
133.10091	1.7
135.08032	6.0
135.11656	0.7
137.09596	0.7
139.39418	0.4
141.06975	4.3
142.07741	1.5
143.08531	3.8
144.05681	10.7
145.06477	3.9
145.10086	4.4
147.04350	0.4
147.08028	3.2
147.11571	0.6
149.09581	1.1
153.01787	0.5
153.06956	0.8
154.07729	0.7
155.08530	2.6
157.06474	3.8
157.10126	3.3
158.07228	1.3
159.08025	100.0
159.11642	1.7
160.08466	1.6
161.09576	1.5
161.13234	0.9
165.06973	1.1
167.08476	0.7
168.09340	0.5
169.06389	1.0
169.10063	2.7
171.07991	0.8
171.11641	1.1
173.05966	0.5
173.09581	6.7
173.13231	1.1
175.07539	2.8
175.14825	0.5
179.08540	0.7
181.06447	0.9
181.10152	0.5
182.10696	0.4
183.08003	1.1
183.11653	1.1
185.09589	8.0
185.11156	0.8
186.10408	0.6
187.07545	0.9
187.11087	0.9
187.14792	0.8
191.58775	0.4
193.10130	0.7
196.08911	0.6
197.09576	4.0
197.13199	1.0
198.10266	0.6
199.07492	2.8
199.11140	2.8
201.09062	0.5
207.11554	0.4
209.13257	0.4
211.11154	4.3
213.12663	0.6
215.10533	0.4
215.14305	5.0
215.17862	0.5
224.11908	0.5
225.09021	0.6
225.12709	1.9
225.16325	1.3
227.14305	0.7
235.14572	0.4
243.17326	2.2
253.15852	8.5
254.24736	2.3
271.05930	5.4
271.09302	1.2
271.16882	74.5
271.23831	2.4
272.17255	2.4
272.25684	1.2
276.53195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57211	0.6
55.01863	3.8
55.05496	2.5
57.03432	3.9
63.34769	0.8
65.03921	2.6
65.27359	0.6
65.35014	0.7
67.05494	2.2
69.03425	0.8
69.07049	1.2
70.06586	4.6
70.76814	1.7
70.77169	1.3
71.08656	0.8
72.08146	9.7
73.02908	31.4
74.22145	0.8
75.03331	0.7
75.04463	2.9
78.57392	0.8
79.05475	1.8
81.03392	1.3
81.07064	1.1
83.04955	1.4
84.08137	1.1
85.02863	1.0
91.05475	6.7
93.03413	2.3
93.07050	1.8
95.04948	3.7
95.08549	1.0
97.02876	1.6
103.05443	0.7
104.19942	0.6
105.07001	1.2
107.04939	1.4
108.02061	1.4
109.06501	1.2
110.03633	6.0
111.04443	5.8
116.07063	6.1
119.04933	4.6
121.06479	1.1
121.10111	1.3
123.04395	1.4
125.05978	39.8
127.03944	1.2
129.21352	0.8
131.04906	1.2
135.08069	1.0
137.02368	0.8
137.05959	10.7
141.05457	4.5
141.06924	0.9
145.06430	0.8
147.04414	6.1
147.06514	3.5
149.02368	0.9
149.05991	3.3
151.03893	100.0
151.04968	6.5
151.07431	4.9
152.04190	1.2
153.05493	1.5
153.06993	1.6
163.07542	2.6
165.05566	1.0
165.06944	1.3
169.06482	1.4
169.10172	0.9
175.07596	1.0
179.07014	22.3
179.08400	1.3
181.06465	1.2
182.05800	2.1
183.07982	1.8
191.08601	1.2
197.06123	2.0
197.08054	21.2
197.09550	1.3
199.09648	1.0
201.09120	1.0
207.07993	1.1
209.09605	0.7
210.06804	0.7
210.68518	0.7
211.07529	3.3
211.14461	2.4
215.07054	2.0
225.07494	3.1
225.09369	5.5
234.06778	0.8
239.07001	1.1
240.11427	1.8
241.08611	0.8
243.06584	1.8
253.08467	1.3
253.10727	4.1
253.13306	1.4
256.11087	0.9
271.05966	6.8
271.09497	4.2
271.11838	16.6
271.16171	9.1
271.26337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1437
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.01861	0.9
55.05497	1.7
67.05480	3.1
69.03407	1.9
69.07050	2.8
69.78894	3.3
69.79314	2.0
78.32076	0.9
79.05475	2.9
81.07035	4.1
83.08614	1.4
91.05470	3.2
93.07011	2.7
94.06549	1.6
95.04961	1.0
95.08588	3.4
96.08093	2.8
98.21471	1.2
105.07021	3.5
106.06525	2.5
107.08584	3.2
108.08090	10.2
109.10145	2.5
115.05437	1.4
117.06980	1.7
119.08574	3.3
121.06422	0.9
121.10123	2.2
122.09659	1.9
124.07543	0.9
124.84299	0.7
129.06987	1.7
131.04977	0.9
131.08540	2.4
131.28624	0.9
133.10057	2.0
134.06017	1.7
135.11653	1.9
136.07562	1.1
137.05957	1.4
142.07747	1.2
143.08556	1.6
144.08102	1.4
145.06487	0.9
145.10109	3.1
146.09656	1.1
147.11647	1.8
148.07520	1.7
149.13220	1.3
153.06987	1.4
154.06497	0.8
155.08473	1.4
157.10086	2.7
158.09599	0.9
159.08038	7.9
159.09183	1.4
159.11652	1.9
160.05182	1.3
161.13205	1.2
165.06985	1.1
168.08040	5.0
169.08818	4.2
169.10127	1.1
170.09663	2.1
171.11649	1.2
172.07545	2.4
173.09628	1.3
173.13295	1.1
174.09143	2.7
178.07855	0.9
181.10106	1.2
182.09601	2.5
183.10406	6.9
184.07587	1.0
185.10760	1.6
186.11526	1.6
187.14911	0.9
196.07539	4.8
197.08270	8.6
198.09120	2.5
198.12788	9.1
199.07430	4.4
199.08745	5.1
199.12355	1.5
200.12965	1.2
201.16263	1.5
208.11195	2.0
210.09117	3.5
211.07704	1.6
211.09859	15.6
212.09291	2.0
213.10207	14.6
214.10936	3.9
215.15425	5.8
215.17809	1.4
215.67509	0.9
225.09190	1.9
225.11269	1.0
225.13811	1.5
226.12251	32.6
227.08308	1.6
227.11751	22.5
228.12538	29.6
240.08966	1.9
241.09705	2.2
241.13466	1.6
242.10477	2.0
243.14912	28.0
253.08870	1.0
253.13474	5.1
253.15654	1.0
254.11783	2.7
255.11241	26.7
256.12042	33.8
269.12820	1.9
271.06119	11.7
271.09503	3.0
271.14386	100.0
271.16718	4.2
271.24121	6.6
272.14728	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0959
Annotation	Saprionide
Peak:m/z	Relative Intensity
55.01864	1.0
57.03405	0.7
60.59631	0.7
67.05514	0.8
68.99781	2.8
72.06351	0.8
79.05442	0.9
81.03416	1.4
91.05463	1.0
93.07076	0.8
98.21472	2.0
99.30838	0.7
105.03390	1.7
105.05142	0.8
107.04921	0.9
115.05433	2.2
117.07003	3.8
118.06528	2.9
123.04391	1.2
129.06979	1.2
131.04886	1.6
131.08463	1.1
137.02318	17.1
137.05925	1.6
141.06990	4.4
145.06480	5.0
147.04359	2.8
147.06737	1.1
148.07498	1.5
149.02289	1.2
152.06232	2.1
153.06966	5.6
154.07770	1.3
155.06007	1.4
155.08537	6.1
157.06497	0.9
161.02307	2.3
165.06981	9.7
166.07777	4.8
167.08429	1.2
168.05716	2.6
169.06470	3.4
169.10121	3.5
171.08035	1.1
173.05949	13.1
175.41997	0.7
177.05548	0.8
178.07736	4.5
179.08525	21.8
179.10089	1.4
180.05788	0.8
181.05016	1.1
181.06401	5.8
181.10074	5.8
182.07196	2.7
183.08006	11.2
185.05983	2.3
186.06728	2.2
187.03899	1.1
187.07538	5.3
189.05449	1.4
189.07066	1.3
193.06494	3.4
194.07201	2.2
196.05261	1.1
197.05968	11.9
197.09566	5.7
198.06783	2.3
199.07539	3.2
200.04669	2.0
201.05443	38.3
201.09030	11.3
207.08028	19.7
208.08690	1.4
209.06195	0.8
209.09662	7.0
210.06718	14.3
211.07507	82.0
212.08084	4.1
213.05386	1.0
214.06227	2.7
215.03383	1.3
215.06996	12.5
215.10657	1.6
216.07533	0.8
225.05458	2.7
225.09067	63.9
226.09572	1.9
227.07014	2.1
227.10542	4.0
229.04950	5.2
229.08557	1.7
235.07491	4.7
242.05838	1.9
243.06512	3.4
243.10149	12.0
253.04848	1.9
253.08540	15.8
271.05994	100.0
271.09592	50.0
272.06314	3.5
272.09732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0961
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
51.02375	0.4
51.90344	0.3
53.03939	3.1
55.01856	0.5
55.05491	0.4
55.27694	0.3
57.07055	0.3
61.87447	0.4
64.52460	0.3
65.03934	0.7
67.05491	1.1
68.99797	1.6
69.07057	0.4
73.29031	0.3
77.03929	0.8
79.05486	0.6
81.03400	0.7
81.07048	1.0
91.05469	0.6
93.07051	0.7
95.04952	6.6
95.08585	0.6
97.06513	0.3
102.87196	0.3
105.03375	72.5
105.06979	0.6
106.03728	0.8
107.08591	0.5
108.02076	1.8
109.10121	0.3
111.04433	0.8
119.08574	0.5
121.02822	0.5
123.04414	0.5
129.06995	0.4
133.10129	0.4
143.08496	0.4
145.10086	0.5
147.04388	0.6
151.03879	100.0
152.04221	1.1
154.02583	0.9
181.06432	0.4
210.06758	0.4
211.07562	0.5
237.05458	0.3
238.06247	1.4
253.08553	3.4
253.15678	0.3
271.06082	2.8
271.09589	20.0
271.16833	0.6
271.20688	0.7
271.24146	0.9
272.09863	0.3
294.52838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
51.61094	0.3
53.03930	0.7
53.96999	0.3
55.01867	0.7
55.05491	1.0
56.43772	0.4
57.03420	0.8
64.49005	0.3
67.05495	3.3
68.99768	0.8
69.03403	0.7
69.07057	0.4
71.59392	0.5
79.05484	5.9
81.03385	0.5
81.07043	4.2
83.08575	0.4
91.05481	2.6
93.07024	0.9
94.04179	1.4
95.04961	3.2
95.08578	1.3
97.06514	0.6
105.03351	0.7
105.07008	1.5
107.04939	1.5
107.08569	1.2
109.06507	11.4
109.10156	1.8
115.05464	0.6
117.06998	1.1
117.37103	0.4
119.04918	1.0
119.08591	0.8
121.06502	1.2
121.10145	0.6
123.04417	24.7
128.06172	0.6
129.06995	1.0
131.04929	1.6
131.08569	1.1
133.06500	0.7
133.10121	2.2
135.04384	1.0
135.11623	0.4
137.05960	100.0
138.06273	0.7
141.06934	0.7
143.08560	0.7
145.06474	0.9
145.10103	1.1
147.04375	6.2
148.04994	0.4
149.05963	1.7
151.03915	0.4
151.11197	1.2
153.07021	0.5
155.08510	0.8
155.16998	0.3
159.08020	4.3
159.11655	0.5
159.31094	0.3
161.05965	8.6
161.13222	0.5
161.23314	0.4
163.03896	1.5
165.07002	1.3
169.06560	0.4
169.10077	0.6
171.01007	0.4
171.07973	0.5
173.09590	0.7
173.13237	0.5
177.05469	1.2
182.07253	0.7
183.08069	0.8
183.11684	0.4
185.09521	0.6
187.07489	0.4
197.05966	0.4
197.09508	0.6
197.13208	0.4
199.07475	1.3
200.08147	0.4
210.06625	0.4
211.07578	1.5
215.10387	0.4
221.06021	0.6
225.09096	1.5
229.08424	0.4
239.06993	0.6
243.06473	0.4
243.10139	1.6
253.08559	0.9
253.15869	0.6
256.07379	0.5
271.06021	5.2
271.09583	11.1
271.13000	0.7
271.17102	2.6
271.19559	0.5
271.24252	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	271.0597
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.03932	0.2
54.29878	0.2
58.13612	0.2
63.06493	0.2
65.03924	0.5
68.99783	2.2
69.03403	0.4
69.26614	2.2
71.65401	0.2
79.05489	0.3
81.03400	0.8
86.76735	0.2
89.03904	0.5
95.01283	0.5
97.02947	0.2
107.04933	0.3
109.02860	0.7
111.04414	0.7
115.05453	0.2
117.03348	0.6
118.06525	0.2
121.03958	0.2
127.03885	0.2
135.04393	4.1
137.02315	11.4
137.06015	0.2
141.06990	0.9
143.01271	0.2
147.04364	0.2
153.06920	0.2
155.03360	2.7
157.06413	0.5
161.02321	5.5
161.05893	0.3
165.06978	0.4
169.06476	0.6
173.06009	0.4
181.06416	0.3
183.07994	0.2
185.05972	0.7
196.05177	0.2
197.05956	1.0
200.11806	0.2
201.05406	0.3
211.07439	0.2
215.07068	0.4
225.05449	0.9
239.07051	0.3
243.06464	0.5
243.09999	0.2
253.02589	0.2
253.04988	0.8
271.05966	100.0
272.06339	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	271.0597
Annotation	2-(2,4-dihydroxyphenyl)-5,6-methylenedioxybenzofuran
Peak:m/z	Relative Intensity
54.91857	0.5
54.94973	0.5
55.01857	1.5
55.05492	0.7
65.03942	0.8
67.05496	3.6
68.99787	2.2
69.07054	1.9
71.12551	0.6
71.63754	0.9
79.05479	1.8
81.03392	1.9
81.07063	3.1
83.08598	0.7
89.52386	0.6
91.05482	3.5
93.07020	2.4
95.04952	3.3
95.08620	3.3
103.05470	1.0
105.03388	1.0
105.07023	2.5
107.04946	2.5
107.08566	2.2
107.11510	0.6
109.06522	1.1
109.10136	2.0
115.05437	0.8
117.06993	2.0
118.04112	0.7
119.04902	1.3
119.08578	2.3
121.06490	1.5
121.10137	1.3
123.04415	36.1
123.11664	0.7
131.04919	1.0
131.08556	2.9
133.10123	2.4
135.04448	1.7
135.11682	1.0
137.02316	17.6
137.05959	4.9
141.06984	1.4
144.05716	0.7
145.06471	5.1
145.10109	2.5
147.04396	22.9
147.05588	1.1
147.11656	1.2
148.05122	0.6
149.02328	1.1
149.06000	0.9
152.06175	0.8
153.06960	1.7
155.04916	0.6
155.06036	0.9
159.07980	0.9
159.11659	2.5
161.02365	2.7
161.05968	2.4
161.13255	1.2
163.03868	1.8
165.06987	2.2
168.05733	0.8
169.06490	1.8
173.05954	9.6
173.07425	0.6
173.13286	2.3
175.03906	0.8
175.14828	1.2
177.05437	0.8
181.06520	0.9
183.07999	0.9
187.07521	2.1
187.14708	0.6
189.05521	1.0
189.16272	0.9
197.06015	3.4
200.04692	1.7
201.05443	38.1
201.16287	1.2
202.05792	0.7
210.06573	0.9
211.07535	2.7
215.07002	9.9
215.17862	1.2
225.05531	1.1
225.09081	1.6
228.07767	0.7
229.04919	3.9
241.04886	0.7
243.06456	2.9
243.10143	1.8
246.23938	0.6
246.26799	0.6
253.04951	2.9
253.08905	0.7
271.05997	100.0
271.09509	10.7
271.24158	12.3
272.06308	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	271.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05486	0.1
57.24125	0.1
65.03934	0.5
67.05485	0.2
68.54552	0.1
68.99780	2.2
69.03409	0.3
69.07051	0.1
70.75751	0.3
77.03940	0.1
79.05472	0.4
81.03397	1.0
81.07050	0.2
81.27327	0.1
83.33311	0.1
89.03893	0.6
91.05466	0.3
93.07052	0.2
95.01315	0.5
95.04957	0.2
95.08588	0.2
105.07031	0.3
107.04934	0.4
109.02850	0.7
111.04418	0.8
115.05415	0.2
117.03347	0.7
118.06557	0.5
119.04945	0.1
121.02893	0.1
121.03947	0.3
121.06457	0.2
122.54868	0.1
123.04438	0.1
124.07584	0.3
127.03883	0.3
129.06985	0.2
131.04866	0.2
131.08507	0.2
133.06416	0.2
133.09988	0.1
135.04395	4.0
135.11679	0.1
137.02316	10.2
137.05901	0.5
139.05429	0.2
141.06966	0.9
145.06410	0.2
146.05989	0.2
147.04373	0.6
147.06734	0.2
148.07527	0.4
148.08734	0.1
149.02296	0.2
153.01849	0.1
153.06950	0.3
155.03375	2.5
155.04660	0.3
155.08504	0.1
157.06465	0.4
159.08005	0.2
161.02316	5.3
161.05942	0.8
162.02866	0.1
165.06950	0.7
168.05731	0.1
169.06439	0.9
173.05910	0.2
174.73404	0.1
181.06419	0.2
183.04443	0.2
183.08051	0.5
185.05908	0.6
187.07591	0.1
196.05093	0.2
197.05975	1.2
199.07523	0.1
200.04697	0.1
201.05594	0.1
209.09651	0.1
211.07434	0.7
215.06937	0.6
221.05984	0.1
225.05443	1.0
225.09090	0.3
227.06670	0.1
228.04172	0.1
229.04929	0.2
239.06995	0.9
239.44698	0.1
240.07672	0.1
243.06570	0.6
243.10265	0.2
253.04909	0.8
254.05504	0.1
271.05966	100.0
272.06332	2.0
289.15366	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	271.0597
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
52.13245	0.1
53.03922	0.3
55.01853	0.3
65.03922	0.8
67.05473	0.3
68.99770	0.8
69.03432	0.2
69.45283	0.4
69.45700	1.0
79.05475	0.5
81.03405	0.9
81.07015	0.4
83.04982	0.2
83.70285	0.1
91.05464	0.5
93.03387	0.3
93.07008	0.2
95.04939	0.4
95.08569	0.2
97.02834	0.2
97.06526	0.2
103.05477	0.2
105.03379	1.6
105.07010	0.4
107.04949	1.3
107.08572	0.2
109.02779	0.2
109.10093	0.2
111.04426	1.2
115.05445	0.5
116.01635	0.2
117.06941	0.2
117.09756	0.1
119.04939	0.2
119.08543	0.3
121.02851	11.7
121.06438	0.2
121.10088	0.2
123.07980	0.2
127.03837	0.1
128.06166	0.2
131.04915	0.4
131.08557	0.3
133.02834	1.1
135.04382	0.5
137.02319	11.2
137.05959	0.7
138.02635	0.1
141.06966	2.0
144.05669	0.2
145.06470	0.4
147.04399	0.8
147.07962	0.3
149.02325	4.4
151.03851	0.2
152.06229	0.4
153.07011	0.8
154.07732	0.2
155.03392	0.4
155.08492	0.4
157.06447	0.2
159.07968	0.3
161.06006	0.3
165.06953	1.3
166.07706	0.2
167.03418	0.8
167.08339	0.2
168.05820	0.3
169.06451	2.2
169.10114	0.2
171.08040	0.2
173.05983	0.7
173.46690	0.1
178.33293	0.1
179.08543	0.7
181.06465	0.9
181.10139	0.1
182.07204	0.3
183.07980	0.7
185.05948	0.2
187.07561	0.9
193.06314	0.2
196.05113	0.2
197.05952	6.7
197.09619	0.4
198.06660	0.3
200.04645	0.2
201.05356	0.3
201.09064	0.5
207.08095	0.7
209.09616	0.4
210.06738	0.6
211.07529	2.3
212.08311	0.1
213.05440	0.6
215.07001	2.8
225.05505	1.6
225.09056	2.4
226.06177	0.2
227.07011	0.4
229.04787	0.2
238.06122	0.2
239.06989	0.5
242.05676	1.6
243.06389	1.2
243.10127	0.5
253.04967	0.6
253.08447	0.7
270.05405	0.2
271.05975	100.0
272.06342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
52.07314	0.3
55.01864	1.1
66.23686	0.3
67.05480	0.4
67.69730	0.3
68.99767	2.1
69.93760	1.5
81.03411	1.2
91.05483	0.7
95.04933	0.3
102.86695	0.3
103.05426	0.6
104.10962	0.3
105.03371	1.0
107.04955	2.1
115.05428	1.4
117.06982	2.6
123.04441	0.4
128.06201	0.7
129.07001	0.7
131.04897	1.3
131.08562	0.5
133.02817	0.5
135.04364	0.5
137.02319	17.8
137.05969	1.4
140.06143	0.4
141.06958	1.5
144.05681	0.6
145.06467	4.9
147.04372	1.2
149.02324	1.0
152.06209	1.0
153.07007	2.3
154.07712	0.8
155.04865	0.4
155.05983	0.8
155.08519	2.6
157.06433	0.6
159.08028	0.5
161.02327	2.7
163.03864	0.3
165.06967	2.9
166.07785	1.7
167.03340	0.4
167.08589	0.8
168.05687	1.1
169.06471	1.4
169.10130	0.8
172.05151	0.4
173.05959	10.2
178.07750	1.5
179.08524	8.9
181.06468	2.3
181.10080	2.1
182.07280	1.0
183.08015	4.6
184.05191	0.3
185.06007	1.1
186.06749	0.9
187.03879	0.5
187.07510	2.2
189.05414	0.8
193.06482	1.1
194.07239	1.2
195.07933	0.4
196.05188	0.5
197.05939	4.8
197.09590	2.5
198.06715	0.8
199.07495	1.8
199.11174	0.3
200.04671	2.3
201.05446	39.1
201.09068	4.2
202.05768	0.7
203.07001	0.8
205.20734	0.4
207.08018	8.4
208.08730	0.3
209.09598	3.1
210.06737	4.7
211.07510	28.4
212.08301	1.5
213.05479	0.5
214.06172	0.7
215.06999	10.5
215.10551	0.8
225.05423	2.1
225.09076	24.5
226.09666	0.6
227.07011	0.6
227.10580	1.4
229.04924	4.4
229.08470	0.6
235.07516	1.6
242.05702	0.6
243.06514	2.9
243.10121	3.7
253.04872	2.3
253.08603	5.2
271.05975	100.0
271.09528	17.9
272.06369	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	270.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	7.6
56.05024	10.0
56.96103	7.4
56.96553	25.5
57.03412	11.7
59.04987	24.9
61.02917	6.6
67.05476	6.4
69.03417	12.7
69.07049	11.2
70.06567	15.8
70.12630	24.2
72.08132	8.6
73.02910	7.2
75.04463	8.8
84.08136	7.3
85.02881	15.7
87.04453	26.2
91.05467	8.7
95.04973	8.4
97.02864	14.4
98.97556	17.4
103.03939	16.1
105.07088	7.1
105.65712	5.9
110.07156	10.7
116.98618	9.8
119.03521	6.9
120.08090	19.7
124.07616	6.9
131.03362	9.3
132.08073	15.9
134.99654	10.6
138.05513	9.6
150.09100	6.5
161.04431	25.8
165.43359	6.4
167.07016	7.5
177.00742	10.4
191.23799	5.3
206.11707	10.2
217.03423	100.0
224.12682	37.2
235.04410	16.7
237.02756	8.4
270.08493	8.4
270.13370	26.2
270.27875	8.3
279.07138	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	270.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05506	0.6
56.05035	0.4
56.96558	5.9
56.96818	0.4
57.03431	5.0
57.07070	0.3
58.99868	0.6
59.05003	0.6
61.02928	1.8
67.05512	0.5
68.05018	0.6
69.03426	5.0
69.07072	1.2
69.54795	2.5
70.06589	3.4
70.98138	0.5
71.00674	0.4
71.01360	1.1
71.04995	1.3
71.95248	0.4
72.05441	0.3
72.08138	0.3
73.02908	2.9
77.00906	0.5
79.04254	0.3
79.05474	0.4
80.05002	0.4
81.03410	1.0
81.04546	0.4
81.07028	0.5
82.05304	0.4
82.06581	0.8
82.99899	0.4
83.04967	0.3
83.06101	1.2
84.08146	1.3
84.96050	0.6
85.02899	6.0
86.06047	0.4
86.09725	0.5
87.04481	1.0
88.07634	0.3
91.05446	0.5
93.04517	0.7
94.06556	0.5
95.01955	0.4
95.06095	2.5
96.04483	1.0
96.08092	0.3
97.01398	0.3
97.02882	3.9
97.06522	1.0
98.06036	0.4
98.21477	0.4
98.97561	4.3
99.04431	0.4
99.21001	0.3
100.02470	1.3
100.07619	0.7
101.00889	3.3
103.02426	0.6
103.03963	0.5
107.04971	0.7
108.04501	0.6
108.08083	0.4
109.02863	0.8
109.07700	0.4
110.06013	0.6
110.07150	8.4
110.97545	0.5
111.07498	0.3
112.08729	0.6
113.00845	0.6
115.02423	5.5
115.03912	1.7
116.00211	0.5
116.02522	0.4
116.07081	0.4
116.98612	3.7
117.03970	1.0
118.03508	0.9
119.01908	13.4
120.02035	0.6
120.08092	0.4
121.06445	0.5
122.07117	0.5
124.03936	0.5
124.07595	0.4
126.05374	0.4
127.03864	1.0
127.08682	1.0
128.98593	1.0
129.03938	2.5
130.93266	0.6
131.00232	0.4
131.01878	3.9
133.03450	9.1
133.04948	2.3
133.07603	0.7
134.03571	0.3
134.99617	2.5
135.05020	1.0
136.06219	1.6
137.02960	2.6
137.04507	0.4
138.05487	100.0
139.05835	1.0
141.06569	0.5
142.03488	0.9
143.00180	0.4
143.01907	1.8
144.99821	0.6
145.03444	1.7
146.99634	0.4
147.01353	1.0
147.05057	3.1
148.94322	0.3
149.01259	0.5
149.02924	1.0
149.10738	0.9
150.00758	0.5
151.04512	0.8
152.06958	0.3
154.03487	2.7
155.01810	0.4
155.08223	0.6
156.05055	0.7
156.07690	1.1
156.10121	0.4
157.03409	1.0
158.06596	0.6
158.99574	0.4
159.01372	0.9
160.04636	0.4
160.06580	0.5
161.01154	0.4
161.02934	2.7
163.04590	0.5
165.10187	0.6
168.99825	1.5
170.02817	0.8
171.01396	0.6
172.04604	0.4
173.03011	1.8
174.00758	0.3
175.00900	0.5
175.04488	0.4
177.00743	1.1
177.02429	0.9
179.11745	2.2
182.03067	1.0
186.04517	0.3
187.00912	2.9
187.04456	0.6
189.00670	0.5
189.02364	1.2
189.04091	0.7
190.95386	1.5
191.03952	1.4
192.04529	0.7
192.98654	0.6
193.09662	0.7
194.05225	1.3
194.10506	0.5
195.11316	2.0
196.12128	0.4
197.60832	0.4
199.00806	1.0
201.02426	1.3
203.04015	0.7
204.06450	0.3
205.01921	0.9
206.12830	1.3
208.96404	0.8
210.02446	0.5
210.12396	0.4
211.10762	1.6
215.00397	2.1
216.96942	0.5
216.98759	0.4
217.01900	1.6
219.01717	0.9
219.03554	1.5
221.05138	0.7
224.07846	0.5
224.13965	7.0
225.12175	0.4
228.03534	0.5
229.01968	0.5
229.04141	0.4
233.01350	0.4
234.99710	0.7
237.02634	0.6
239.10254	1.4
243.98972	1.0
247.00926	0.6
247.02934	2.3
247.37454	0.4
248.07933	0.6
256.00781	1.4
265.03836	0.7
270.02368	1.8
270.09836	0.6
270.14438	10.4
270.18097	0.6
271.12833	6.0
274.01801	3.8
288.03159	0.7
288.05994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Genistein
Peak:m/z	Relative Intensity
51.29869	0.3
55.01868	0.3
55.05489	1.0
57.03421	0.5
60.81421	0.3
65.03918	0.6
66.62573	0.3
67.01835	0.6
67.05487	1.2
68.99775	1.2
69.03389	0.5
69.07049	1.0
70.28060	0.3
70.90940	0.5
70.91272	0.5
79.05467	0.6
80.57605	0.3
81.07034	1.7
83.08611	0.5
88.40752	0.3
91.05462	6.3
93.07031	0.6
95.08576	1.5
97.06519	0.9
105.03365	0.3
105.07005	0.5
107.04923	0.8
111.00780	0.5
114.31116	0.3
115.05405	0.7
117.06957	0.4
119.04894	1.8
119.08588	0.7
121.02868	1.8
123.04421	0.9
123.48586	0.3
127.03914	0.3
128.06245	0.4
129.06964	0.4
131.00883	0.3
131.04936	0.8
131.08540	0.6
133.02850	0.4
133.10104	0.5
135.04372	0.6
137.02303	0.9
137.05992	0.6
141.07005	1.8
144.05699	0.5
145.02847	2.4
145.06429	0.8
147.04378	0.9
147.08054	0.4
149.02332	4.3
152.06065	0.4
153.01811	12.5
153.06905	0.4
157.10101	0.5
159.04396	1.8
159.08057	2.8
161.13277	0.5
163.03906	0.4
165.01794	1.0
165.06966	0.7
168.05664	0.3
169.06499	2.5
172.05127	0.6
173.05943	0.6
181.06378	0.4
183.08064	0.3
185.09573	0.3
187.03886	0.5
187.07495	1.2
197.05943	2.7
199.07515	0.7
200.04642	2.2
201.05487	0.7
211.03926	0.8
211.07544	0.5
213.05501	0.5
215.07013	8.6
215.09027	0.6
216.07414	0.4
225.05513	0.7
225.09076	0.9
227.06982	0.4
228.04198	1.5
229.08450	0.5
235.14619	0.3
243.06502	7.5
253.04897	3.0
253.08769	0.4
253.15813	0.4
256.03580	0.4
271.05972	100.0
272.06329	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.2
55.01858	3.5
55.05290	1.8
55.05503	23.1
57.03172	2.3
57.03428	32.5
57.07055	3.5
65.03921	2.9
67.05494	78.7
69.06700	2.3
69.07060	33.4
71.04993	6.8
77.35612	1.6
79.05034	2.5
79.05479	43.8
81.03351	1.5
81.04189	1.4
81.07043	100.0
83.04988	9.9
83.08598	18.9
85.06517	8.2
91.04927	2.1
91.05461	23.9
93.07030	72.1
95.04962	7.3
95.08595	29.5
97.06506	16.6
97.10153	1.9
99.08076	3.1
105.07008	14.2
107.04974	2.1
107.08572	33.7
109.06496	2.3
109.10130	5.4
111.08087	7.5
113.05989	1.5
115.05418	1.7
115.99810	1.7
117.07001	11.5
118.04136	4.1
119.08555	4.8
121.06503	2.1
121.10124	21.2
121.76521	1.5
123.11681	3.8
131.08548	13.5
133.10106	14.1
135.08022	2.8
135.11670	12.9
137.02351	1.6
139.08708	1.5
143.08525	2.2
145.10088	1.6
147.11624	1.7
148.82761	1.3
149.09644	1.8
149.13232	44.5
151.11143	2.4
153.09085	1.3
154.02641	3.3
157.06535	2.2
157.10069	3.0
159.11662	24.5
161.13213	1.4
167.08493	2.2
173.06007	1.4
177.12737	12.3
181.06442	3.4
184.16933	1.7
185.13179	1.8
195.07988	4.5
195.12016	2.4
195.13762	16.1
197.05933	6.1
198.06677	3.2
209.09648	2.3
209.88258	1.6
212.16484	1.6
213.09099	8.1
223.07581	4.9
226.06154	7.4
227.06955	2.1
237.05403	6.2
241.04967	2.5
241.08611	2.2
253.04961	7.6
254.05655	9.3
269.08057	96.8
269.11508	5.6
269.14700	3.2
269.17401	47.6
269.22507	6.2
270.05460	1.5
270.08383	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	269.1896
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03918	2.3
55.01861	2.3
55.05498	15.6
57.03429	13.3
57.07067	3.2
62.68988	2.0
65.03923	2.7
67.05491	40.6
69.03422	3.5
69.07050	25.7
70.16515	10.1
71.04996	4.5
74.05375	1.7
79.05482	25.2
81.03410	3.0
81.06609	3.2
81.07047	46.7
83.04942	3.6
83.08600	8.8
83.47081	1.7
87.81301	1.7
89.09733	1.8
91.05469	27.7
93.07027	42.1
95.04955	17.9
95.08589	33.4
97.06506	15.0
103.05456	2.7
105.07013	36.9
107.04939	3.4
107.08583	27.0
109.06508	12.7
109.10141	11.5
111.08047	6.2
113.68890	1.8
115.05459	2.6
116.06222	2.4
117.07005	11.0
118.04143	6.6
119.08559	47.3
121.06523	5.7
121.10118	20.6
123.08057	5.5
123.11673	3.3
125.09560	2.1
128.06183	5.8
129.06979	13.0
130.07788	2.8
131.08554	33.9
133.06548	2.1
133.10115	27.2
135.08012	7.7
135.11664	6.3
137.09586	2.1
139.11212	2.7
141.06953	4.8
142.07709	10.1
143.08539	27.8
144.09314	5.7
144.11566	2.1
145.10095	35.1
147.08034	3.9
147.11642	9.6
149.09645	3.5
149.13263	11.9
153.06992	2.4
154.02588	2.3
154.07759	2.5
155.08498	11.0
156.09270	16.2
157.10094	31.1
158.10873	8.5
159.08057	2.5
159.11662	21.5
160.12338	3.2
161.09602	4.2
161.13176	4.5
163.11137	2.8
165.06952	5.5
167.08545	7.1
168.09303	3.6
169.10098	12.6
170.10896	10.8
171.08057	3.5
171.11656	33.9
172.12367	3.2
173.09409	2.4
173.13252	33.0
175.11157	8.3
177.12793	3.9
179.08571	3.4
181.06522	2.4
181.10109	7.6
182.10933	3.5
183.11678	10.4
185.09695	3.7
185.13226	34.2
186.14005	6.5
187.11139	3.2
187.14789	14.3
194.10913	3.1
195.11691	13.4
195.13815	6.7
196.12456	4.4
197.06018	3.4
197.13217	6.9
198.10402	3.1
199.11172	6.2
199.14832	9.7
199.34628	2.1
207.11714	2.7
209.13271	9.4
211.14732	14.0
213.09082	8.6
213.12650	11.2
214.12186	2.0
221.13260	6.1
223.14777	2.5
225.05508	3.4
225.16327	3.6
226.06244	6.3
227.14284	3.4
227.17992	3.0
236.15453	2.8
237.05406	8.8
241.19461	6.0
251.17886	8.7
253.04866	6.1
254.05727	7.5
269.08047	100.0
269.12732	4.9
269.19098	86.6
269.22467	6.1
270.08368	7.2
270.19531	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01870	2.9
55.05509	21.0
57.03163	2.5
57.03429	37.9
57.07064	7.4
60.03653	1.6
60.32650	1.6
65.03936	3.4
66.15290	1.6
67.05501	88.0
69.03398	2.1
69.07062	27.5
69.98363	3.0
69.98769	6.6
71.04983	8.3
73.02979	1.6
79.05488	46.8
81.03398	2.7
81.07050	100.0
83.04983	10.5
83.08605	21.0
85.06535	4.3
91.05476	29.0
93.07035	76.1
94.07416	1.7
95.04954	9.8
95.08604	27.2
97.06523	16.3
97.10153	5.1
99.08076	4.2
105.07016	16.3
107.04937	4.2
107.07922	2.6
107.08589	36.6
109.06524	3.9
109.10139	6.8
111.08107	9.8
113.09644	1.9
117.07014	14.5
118.04135	5.2
119.08575	6.9
121.06374	1.8
121.10130	21.9
122.57708	2.0
123.11699	4.6
129.07013	2.9
131.08524	12.1
133.10121	14.2
135.11688	11.6
137.02301	3.3
137.09663	2.1
142.07889	2.1
145.10080	2.5
147.11723	2.9
149.13239	41.7
151.11179	2.7
154.02640	2.9
157.10088	3.2
159.11690	26.8
162.43704	1.7
165.06964	2.3
167.14442	2.6
171.11664	2.6
177.12750	11.8
181.06590	2.4
182.65570	1.7
187.14604	1.9
195.13799	13.4
197.05977	5.7
198.06844	2.2
213.09142	8.0
213.12724	2.2
226.06259	5.9
237.05486	6.8
253.04976	6.4
254.05690	5.8
269.08081	76.3
269.17374	48.0
269.22607	7.1
270.08383	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01862	3.1
55.05280	1.6
55.05502	17.0
57.03163	1.9
57.03426	25.3
57.07050	3.6
65.03918	3.0
67.05495	57.2
69.07058	23.7
70.34181	3.5
70.34596	2.4
71.04967	4.8
79.05477	37.8
79.94394	1.4
81.03380	1.8
81.07042	79.5
83.04971	9.0
83.08610	14.5
85.02863	1.5
85.06517	3.6
91.05473	24.1
93.07032	52.5
95.04938	6.3
95.08595	20.3
97.06509	11.2
97.10165	1.5
99.08048	3.0
105.07026	10.4
107.04926	4.4
107.08573	31.2
108.02134	1.6
109.06490	4.7
109.10122	5.6
111.04449	1.9
111.08109	6.4
115.05403	2.1
117.07014	9.8
118.04137	4.6
119.08559	4.1
121.10130	17.4
123.11694	3.6
129.07039	2.1
131.08559	8.5
133.10109	14.9
133.37326	1.3
135.08083	1.4
135.11661	10.0
137.02339	1.5
139.10181	1.2
143.08525	3.0
145.10103	4.6
147.11687	3.1
149.12143	1.5
149.13235	31.2
151.11104	1.3
153.06883	1.8
154.02574	2.5
157.10136	3.8
159.11665	20.3
167.08423	1.5
171.11664	4.1
173.13185	2.8
177.12772	6.8
182.07243	2.0
183.11690	1.7
185.13222	2.6
195.13751	11.1
197.05971	5.5
198.06784	2.5
199.14821	2.8
213.09091	11.0
224.36308	1.4
225.05449	4.8
226.06276	7.2
227.14297	1.5
237.05473	8.7
237.08913	2.2
251.20023	1.4
253.04961	9.0
254.05656	9.4
269.08057	100.0
269.17325	26.4
269.22537	21.5
270.08408	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69616	0.8
53.03921	4.0
55.01853	2.3
55.05503	15.3
57.03429	28.8
57.07063	5.7
65.03935	2.1
67.05493	63.4
69.03407	1.0
69.07057	23.8
70.22794	3.4
71.04995	4.8
79.05029	1.9
79.05481	37.4
81.03397	1.7
81.07042	78.4
83.04963	10.3
83.08163	1.4
83.08605	14.6
85.06516	4.2
91.04930	1.3
91.05466	18.6
93.07029	51.5
95.04955	6.2
95.08585	20.2
97.02864	1.0
97.06516	12.6
97.10147	1.9
99.08080	3.0
103.05462	1.2
105.07027	8.6
107.04912	4.4
107.08576	28.7
109.06470	3.7
109.10133	4.6
111.08041	6.6
113.09641	1.6
115.05410	2.3
117.07005	7.9
118.04155	5.3
119.08544	4.3
121.06477	2.2
121.10128	14.6
123.11685	3.1
125.09634	1.0
128.06194	1.0
129.06958	2.4
131.08554	12.3
133.06430	1.2
133.10103	12.4
135.08028	1.6
135.11667	9.3
137.02330	2.3
139.11198	1.0
143.08476	1.9
144.09267	1.2
145.10101	3.0
147.11679	1.8
149.09592	1.3
149.13225	33.1
151.11107	1.1
152.06210	1.2
154.02614	1.4
157.10107	2.9
159.11661	13.7
167.08592	1.2
169.10136	1.2
171.11618	2.1
173.13206	1.7
177.12727	7.0
181.06470	2.3
182.07181	1.7
185.09612	1.6
185.13348	1.6
194.07286	1.2
195.08006	2.0
195.13776	9.9
197.05940	4.9
197.13184	1.1
198.06752	2.9
199.14825	1.2
209.09576	1.2
211.14711	1.3
213.09042	10.5
213.16461	1.8
225.05351	2.1
226.06210	7.2
227.06969	1.4
227.17958	1.6
227.55542	1.0
237.05400	9.5
237.09012	2.1
253.04921	9.1
254.05702	10.1
269.08041	100.0
269.17361	29.9
269.22424	11.3
270.08368	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03937	5.8
55.01853	4.4
55.05501	20.1
57.03428	31.4
57.07072	3.5
57.63750	1.6
67.05495	74.8
69.07056	26.4
69.88242	8.6
71.04974	6.5
79.05482	49.5
81.03423	2.3
81.07046	100.0
83.04960	8.7
83.08608	16.2
84.33131	1.7
85.06526	5.9
91.05466	20.9
93.07031	70.4
95.04965	6.1
95.08591	26.0
97.06527	15.8
97.10162	2.7
98.20879	2.3
99.08074	4.1
105.07000	8.6
107.08580	38.2
109.06487	3.2
109.10165	3.1
111.08054	9.2
113.09679	1.8
117.07005	8.6
119.08566	4.7
121.10130	18.0
123.11706	2.9
131.08548	11.8
133.10112	10.8
135.08008	3.3
135.11658	13.7
147.11708	2.5
149.13232	44.7
149.14427	2.3
150.61711	1.7
159.11674	22.0
167.08530	2.1
177.12753	8.0
181.06522	2.1
195.08127	3.1
195.13760	13.9
197.10954	1.8
223.07428	2.3
226.06248	5.2
248.02489	2.0
254.05667	5.1
269.08066	41.2
269.11221	2.7
269.17441	41.5
269.22360	2.6
270.08511	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	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81959	1.2
53.03925	4.1
55.01859	3.5
55.05270	1.5
55.05503	18.4
55.40849	1.4
57.03168	1.7
57.03430	25.7
57.07056	2.8
65.03942	1.5
67.05496	59.8
69.03403	1.9
69.07059	20.6
70.44004	0.9
71.04972	5.3
71.08599	1.2
71.66009	1.2
76.01253	1.1
79.05482	40.4
81.03400	4.4
81.07047	71.3
83.04965	9.1
83.08594	15.3
85.06532	3.5
89.65446	1.3
91.05462	20.1
93.07030	52.8
95.04963	6.6
95.08588	19.6
97.06525	11.3
97.10139	1.6
99.08051	2.3
105.07011	10.2
107.04932	4.0
107.07912	2.1
107.08579	28.7
109.06503	3.8
109.10122	4.5
111.04433	1.9
111.08050	5.2
115.05467	1.2
116.67634	1.3
117.07022	9.2
118.04121	5.3
119.08569	5.9
121.06471	2.0
121.10117	15.1
123.08081	1.3
123.11699	1.6
125.09603	1.2
129.06960	2.5
131.08543	10.2
133.06503	1.1
133.10114	11.7
135.08006	2.1
135.11652	8.0
139.11250	1.3
142.07716	1.3
143.08604	1.6
144.36497	1.3
145.10144	2.3
147.11703	1.5
149.13240	34.0
149.14453	1.7
151.11140	1.6
152.06160	1.3
154.02586	3.7
155.08545	2.1
157.10072	3.4
159.11682	19.0
167.14246	2.3
169.10069	1.6
170.07278	1.9
171.11673	2.6
177.12755	7.2
181.06477	4.0
183.11650	1.9
185.09662	1.5
195.11952	2.2
195.13762	9.8
197.05971	6.4
197.13123	1.5
198.06677	3.6
209.09589	1.3
211.14699	1.4
213.09123	10.8
213.14758	1.5
225.05412	3.3
226.06204	8.0
237.05507	7.7
253.04881	9.7
254.05731	11.1
269.08051	100.0
269.17270	31.9
269.22607	3.9
270.08368	6.2
270.17523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93801	1.4
53.03913	3.5
55.01852	3.3
55.05503	18.7
57.03170	2.3
57.03430	29.5
57.07062	3.2
61.39807	1.4
65.03929	2.1
67.05495	74.9
69.07051	29.4
69.86839	7.6
71.04973	6.7
79.05031	2.8
79.05479	45.9
81.03402	3.3
81.07043	100.0
83.04950	8.8
83.08603	17.6
85.06524	5.3
91.05467	32.3
93.07032	65.0
95.04945	7.5
95.08008	2.2
95.08588	26.4
97.06519	15.7
97.10141	2.8
98.21420	1.6
99.08078	3.7
105.07004	11.9
107.04929	3.2
107.08581	34.6
109.06478	3.6
109.10119	4.4
111.08078	8.7
117.06982	15.1
118.04152	4.9
119.08570	3.6
121.06470	1.8
121.10111	17.2
123.11672	3.9
131.08553	15.1
133.10109	13.5
135.08031	2.1
135.11684	10.3
139.11195	1.9
145.10066	1.7
147.11745	1.9
149.09541	3.1
149.12108	2.8
149.13235	36.4
157.10071	2.3
159.11671	22.2
161.13211	1.5
163.03926	1.7
177.12793	8.6
179.14058	1.6
181.06416	2.0
195.13779	10.8
197.05959	4.4
198.06761	2.6
209.05965	1.8
213.09050	4.9
223.79356	2.0
225.05453	1.9
226.06262	5.3
237.05455	7.0
253.04939	5.4
254.05681	5.0
269.08047	73.2
269.17395	42.0
270.08365	4.6
270.17694	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0803
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
53.03944	0.4
55.05496	1.1
57.03411	1.0
57.07069	0.4
62.06073	0.4
67.05506	2.6
68.99796	0.5
69.07043	1.4
71.04959	0.4
71.60133	0.5
71.60505	0.5
77.51223	0.4
79.05481	1.9
81.03387	0.7
81.07043	3.7
83.04974	0.4
83.08605	1.1
91.05466	1.4
93.07027	2.2
95.04958	0.6
95.08566	1.8
97.06493	0.8
105.03336	0.5
105.07007	1.1
107.04959	0.4
107.08559	1.2
109.06509	0.5
109.10165	0.8
111.08043	0.6
117.06996	0.6
118.04134	0.5
119.08566	0.6
121.10114	0.9
123.11745	0.5
124.01567	1.0
125.05939	0.4
129.06999	0.4
131.08542	1.0
133.10071	0.7
135.11700	0.5
137.02280	0.7
145.10143	0.4
147.08096	0.4
147.11665	0.6
149.13228	1.3
152.01036	1.5
152.06213	0.4
155.08539	0.5
157.06454	0.5
157.10072	0.6
159.11662	1.1
165.06932	0.4
167.08514	0.5
169.06525	0.3
170.02124	1.4
170.07272	0.5
171.07977	0.5
171.11664	0.3
173.13261	0.4
181.06409	1.0
182.07237	0.4
195.08025	0.7
195.13863	0.6
197.05934	1.8
198.06729	1.2
209.05876	0.4
213.05476	0.6
213.09085	1.9
223.07440	1.2
225.05463	0.9
226.06221	14.7
237.05469	1.1
241.04843	0.8
241.08643	1.3
251.18196	0.5
253.04974	4.9
254.05719	41.8
255.05911	0.5
269.08057	100.0
269.17508	1.2
269.22397	1.5
270.08487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0803
Annotation	Formononetin
Peak:m/z	Relative Intensity
50.08995	0.4
57.42897	0.4
68.55215	0.4
68.99763	0.5
69.93703	2.0
74.64642	0.5
107.04942	2.5
108.02035	0.5
118.04139	4.6
132.70610	0.5
133.06458	1.1
137.02322	2.6
154.02563	1.8
156.05632	1.4
169.06436	0.7
170.07275	1.6
181.06448	1.5
182.07224	1.4
195.08096	0.6
197.05940	4.7
198.06767	2.3
209.16252	0.5
213.07172	0.6
213.09093	8.0
215.81024	0.5
225.05394	3.3
226.06235	7.1
234.86189	0.5
237.05400	8.5
253.04906	9.1
254.05669	7.7
269.08044	100.0
270.08313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73095	0.8
55.05492	1.8
55.07054	0.7
57.03435	1.5
63.02356	0.7
67.05481	2.0
67.64381	0.9
69.07057	1.4
69.96572	4.5
71.04983	1.3
74.06045	0.8
74.94723	0.8
78.04685	0.8
79.05482	2.3
81.07036	2.9
82.03719	0.8
83.04946	1.1
85.06535	1.1
86.09705	0.9
89.03904	11.1
91.05460	3.5
92.86358	0.7
93.07026	3.6
95.04952	1.1
95.08591	2.4
96.14281	0.7
97.02859	1.9
97.06532	1.8
98.21492	1.1
101.06023	0.9
103.05531	0.9
105.07014	2.3
107.04916	1.3
107.08569	1.6
109.06509	1.5
111.08063	3.8
117.03358	30.4
119.04895	1.4
119.08531	1.5
121.06487	0.8
121.10153	1.1
123.08054	1.1
129.06894	1.1
131.08621	0.8
133.10124	2.0
134.03604	2.6
135.04373	2.0
135.08038	1.8
137.02304	1.4
137.05980	1.8
137.09647	1.0
145.02827	55.7
145.10069	1.2
146.03177	1.5
147.11681	1.9
149.05943	11.4
153.06976	1.0
156.06494	1.3
157.06514	0.9
157.10095	1.1
163.11128	1.4
167.08440	1.0
175.11198	1.9
177.05444	100.0
178.05832	2.4
186.05504	1.9
191.06934	1.6
193.12236	5.4
195.08047	1.5
196.02911	0.9
213.05475	1.6
223.67899	0.9
226.06154	1.5
233.15491	1.5
237.05371	0.9
241.04932	2.4
241.08597	2.0
241.13080	0.9
250.19109	0.8
251.06941	0.9
251.09129	1.9
251.16399	2.2
254.05663	1.4
269.04434	6.5
269.08041	14.5
269.12637	3.1
270.08316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0797
Annotation	Formononetin
Peak:m/z	Relative Intensity
53.03923	0.2
54.03401	0.1
55.05483	0.2
67.05474	0.4
68.99766	0.4
69.07065	0.1
69.34064	1.5
71.37038	0.1
79.05475	0.5
80.54608	0.1
81.03408	0.2
81.07044	0.9
83.08601	0.2
90.04703	0.3
90.39922	0.1
91.05453	0.4
93.07022	0.4
95.04972	0.2
95.08577	0.4
98.21476	0.3
103.05444	0.4
105.03427	0.2
105.07012	0.5
107.04942	3.0
108.02097	0.7
109.10166	0.2
118.04148	6.0
123.04380	0.2
128.06149	0.2
131.08533	0.2
133.02834	0.3
133.06467	0.8
135.90628	0.1
136.01553	0.6
137.02315	2.5
141.06923	0.2
142.07782	0.2
147.04378	0.2
152.06183	0.5
153.06937	0.7
154.02582	2.7
155.42894	0.1
156.05659	1.1
157.06508	0.2
157.10110	0.1
158.07234	0.5
163.03929	0.5
165.07031	0.2
167.08508	0.2
169.06461	0.5
170.07239	1.5
171.07947	0.3
180.05661	0.3
181.06458	2.0
182.07214	1.0
184.05165	0.6
185.09587	0.3
195.07993	0.6
196.05016	0.2
197.05956	5.2
198.06735	2.5
199.07445	0.3
200.04706	0.4
209.05937	0.4
210.06706	0.3
211.99657	0.1
213.09084	9.2
222.81291	0.1
225.05447	2.7
226.06219	7.6
227.06854	0.2
227.56935	0.2
236.04723	0.1
237.05429	8.5
238.05817	0.3
239.07146	0.1
241.08577	0.5
245.67139	0.1
251.07100	0.2
251.20078	0.1
253.04942	9.4
254.05714	9.5
258.05176	0.2
269.08054	100.0
270.08392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0802
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01848	0.3
55.05494	0.5
57.03431	0.3
62.93968	0.2
65.03936	0.3
67.05496	1.7
68.99776	0.4
69.07038	0.5
69.91933	1.4
71.04983	0.3
79.05468	0.9
81.07044	1.7
91.05461	0.6
92.92970	0.2
93.07043	1.3
95.04929	0.5
95.08585	0.7
97.06517	0.3
97.10193	0.2
103.05473	0.4
104.82565	0.3
105.03384	1.4
105.06994	0.8
107.04958	2.0
107.08564	0.8
108.02074	0.6
109.10152	0.4
115.05408	0.3
117.03356	0.4
118.04144	4.5
121.10133	0.8
128.06157	0.6
129.06955	0.4
131.08534	0.4
133.02838	0.6
133.06485	0.9
133.10101	0.6
134.03596	0.3
135.11700	0.2
136.01535	0.3
137.02321	2.2
139.05397	0.4
141.06981	0.4
145.02861	0.3
145.06448	0.2
149.13257	0.4
152.06233	0.4
153.06996	0.3
154.02599	1.7
154.37067	0.2
155.06117	0.4
156.05687	1.0
157.06497	2.7
158.07257	0.5
161.05971	0.3
163.03848	0.5
165.01801	0.3
165.06969	0.4
166.07741	0.2
169.06458	0.6
170.07225	1.6
171.07977	0.3
171.11667	0.2
177.05435	0.5
180.05685	0.3
181.06488	2.1
182.07236	0.6
184.05119	0.3
185.05978	1.1
194.07230	0.4
195.08032	0.7
195.13687	0.3
197.05960	5.8
198.06772	2.7
200.04681	0.3
208.05235	0.3
209.06017	0.4
209.09592	0.6
211.07440	0.2
212.04614	0.2
213.05464	12.2
213.09047	7.0
213.11148	0.3
214.05946	0.3
219.41617	0.3
222.06721	0.3
225.05487	2.1
226.06215	11.9
237.05437	7.3
237.09026	1.1
241.04927	7.4
241.07651	0.4
241.08463	0.5
243.02682	0.2
251.12720	0.3
253.04938	6.1
254.05711	27.1
255.06052	0.6
269.04605	6.2
269.08044	100.0
270.05121	1.0
270.08398	2.2
272.19125	0.2
289.71008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.8
57.03406	3.1
57.07067	1.4
57.74256	1.1
67.05495	19.9
69.03423	100.0
69.07061	6.6
71.04977	2.6
71.08627	1.0
79.05488	11.7
79.86059	1.2
81.03416	10.9
81.07048	20.5
83.04971	4.7
83.08606	4.5
85.06518	1.4
87.54697	1.3
91.05469	14.6
93.07035	13.5
95.04946	6.3
95.08591	14.6
97.06528	10.6
97.10137	2.9
97.88084	1.1
98.21484	2.4
98.98441	2.3
99.08093	1.3
105.07018	12.4
107.08576	8.0
109.06503	6.5
109.10125	7.8
109.27036	1.2
111.04454	2.4
111.08084	4.0
119.08584	9.7
121.06506	1.6
121.10100	7.5
122.78670	1.1
123.08067	6.2
123.11684	2.7
125.05976	1.9
131.08578	3.7
133.10109	21.9
135.11671	1.9
136.06171	4.4
137.09575	6.1
143.08556	1.8
145.10141	1.7
147.08034	1.5
147.11676	8.1
149.09622	4.7
149.13228	2.5
151.11150	7.0
157.10118	4.0
159.11742	2.2
161.13304	1.4
165.12766	1.3
175.11214	2.5
175.14796	2.7
183.11794	1.4
184.31506	1.2
189.16422	4.3
193.12253	3.6
195.11438	1.3
199.14828	4.8
207.17439	4.7
209.13376	1.3
211.11230	1.3
217.15834	4.9
219.94254	1.1
229.37325	1.4
235.16910	28.4
267.15991	5.1
267.21344	1.6
276.16916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.39371	0.1
55.01862	0.3
55.05500	0.2
56.96554	1.2
57.03421	0.6
61.02916	0.2
69.03430	0.7
70.06567	0.2
70.14591	0.6
73.02895	0.4
76.91866	0.1
81.03404	0.2
82.06573	0.1
84.96025	0.3
85.02903	0.8
94.04046	0.3
95.04936	0.2
97.02864	0.3
98.97568	0.5
107.04950	0.3
109.02871	0.2
111.04391	0.2
112.07591	0.4
112.47020	0.1
115.03885	0.2
116.98588	0.2
119.03560	0.8
121.08403	0.3
124.03949	0.3
127.03862	0.2
128.98540	0.2
130.08641	0.4
130.84805	0.1
133.04910	0.2
134.99594	0.2
136.06165	100.0
137.02382	0.2
137.04639	0.7
137.06683	0.8
145.02849	0.2
146.99664	0.2
149.07085	0.1
156.03288	0.4
168.03375	0.2
173.02856	0.4
174.04401	0.8
177.05472	0.3
177.07869	0.3
180.55214	0.2
185.01184	0.2
186.04388	0.6
192.05463	0.2
204.05431	0.9
206.11754	0.4
228.05463	0.2
237.02773	0.2
247.01099	0.1
268.07474	0.1
268.10306	4.2
269.08002	0.6
269.10602	0.2
269.15051	0.1
271.01208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03926	3.8
55.01856	1.6
55.05506	9.7
57.03432	19.0
67.05498	14.7
69.03400	2.6
69.07043	2.6
69.84046	5.9
71.04966	1.5
71.51701	0.9
77.02773	0.9
79.05104	1.1
79.05488	13.7
81.03406	100.0
81.07047	14.6
83.04964	6.2
83.08608	14.7
89.80585	0.9
91.05466	18.4
93.07030	9.1
95.04961	21.2
95.08594	5.5
97.02834	2.0
97.06471	1.3
97.10134	1.7
105.07009	14.6
107.04902	4.6
107.08556	3.6
109.06479	3.8
109.10110	1.8
111.08057	5.5
115.05473	1.1
117.07011	2.0
119.04935	1.1
119.08579	11.8
121.06467	3.3
121.10107	6.6
123.08053	1.0
123.11678	2.1
129.06984	8.1
129.32109	0.9
131.08568	8.0
133.06462	2.2
133.10083	3.6
137.09587	2.5
138.42593	0.9
138.72598	0.9
142.07704	1.7
145.10173	1.2
147.08006	2.9
147.11673	9.3
149.09578	4.4
153.47038	0.9
157.10091	9.9
165.12752	3.9
175.11163	7.2
181.63443	0.9
193.12222	19.5
211.13280	3.0
267.15848	47.6
268.15976	1.1
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	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03949	3.8
55.01866	1.9
55.05506	6.1
57.03159	1.3
57.03428	20.0
67.05502	13.0
69.03426	2.8
69.07056	3.3
69.65701	4.5
69.66116	1.3
71.01347	0.8
71.04986	1.9
73.01854	0.6
79.05485	13.0
81.03407	100.0
81.07043	13.1
83.04971	4.9
83.08610	15.1
85.02882	0.9
85.06549	0.7
89.03926	0.7
91.05468	18.6
93.07022	8.0
95.04955	21.9
95.08572	5.3
96.40327	0.7
97.02895	2.8
97.06486	0.9
97.10177	1.6
98.21404	1.5
99.08086	0.7
105.07020	13.6
107.04974	4.2
107.08569	4.7
109.06493	3.8
109.10169	1.5
111.04408	1.4
111.08070	6.1
115.05461	1.9
117.03409	0.8
117.07043	1.3
119.04920	1.1
119.08564	11.3
121.06496	2.0
121.10126	5.5
123.08038	1.1
129.07004	8.4
130.42834	0.7
131.08551	6.9
133.06491	2.7
133.10115	4.7
135.04391	0.9
135.11737	0.9
137.09610	1.6
141.07092	0.7
142.07768	2.6
145.02823	2.3
145.10086	1.9
147.08052	3.7
147.11644	5.8
149.09578	3.6
151.11157	0.9
157.10121	10.4
161.09654	0.7
163.11124	1.3
165.12785	2.0
175.11180	8.4
177.05469	5.4
190.84557	0.8
193.12227	18.4
193.14008	1.1
201.58333	0.6
211.13274	2.7
221.04453	1.6
223.13377	0.8
237.72430	0.7
239.07053	0.7
249.14911	1.5
267.15897	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.01047	0.7
53.03937	3.2
55.01863	2.1
55.05506	9.6
56.96545	0.7
57.03426	19.4
57.07064	0.8
58.99447	0.8
67.05493	15.2
69.03416	1.9
69.07060	5.4
71.04975	1.2
74.55650	0.7
79.05482	14.2
81.03405	100.0
81.07043	19.5
83.04971	5.3
83.08603	18.4
85.02884	1.4
91.05466	17.9
93.07031	9.2
95.04958	21.7
95.08584	8.5
97.02871	2.2
97.06526	2.2
97.10168	3.1
99.08051	1.0
105.03407	1.0
105.07011	14.6
107.04935	6.2
107.08574	3.8
109.06509	3.3
109.10139	3.4
111.04416	1.4
111.08053	6.3
113.05934	0.7
115.05442	1.7
117.07006	1.6
119.04936	1.0
119.08569	12.0
121.06502	1.7
121.10126	4.8
123.08057	2.6
123.11697	2.8
125.09608	0.9
129.06993	9.3
131.08546	6.7
133.06491	2.0
133.10097	5.7
136.06149	1.4
137.09628	1.8
141.29446	0.7
142.07777	2.0
145.10098	2.3
147.08022	2.0
147.11670	9.6
149.09593	4.6
155.08598	1.2
157.10112	11.7
159.67419	0.8
165.12727	2.7
169.10100	0.8
175.11153	11.4
178.07730	1.0
193.10292	1.2
193.12215	21.3
205.12196	1.0
211.13246	2.7
244.06776	1.2
249.14784	1.6
267.06451	2.3
267.09943	2.5
267.13742	1.8
267.15866	47.8
280.70572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0495
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
53.17310	2.2
67.05473	2.2
70.79310	5.5
79.05463	2.5
81.63913	1.7
96.08128	2.7
107.04964	2.3
123.04395	8.3
131.04900	2.1
133.02802	7.1
135.04384	2.7
141.62276	1.5
142.50745	1.8
145.02716	1.9
151.03871	5.8
163.03877	5.3
165.01860	5.8
173.02370	1.9
177.05417	3.4
178.02519	2.7
179.03362	13.2
189.01993	2.8
191.03348	3.0
206.02098	3.8
207.02859	100.0
208.03308	1.8
221.04388	11.1
223.02409	3.3
235.02333	52.9
236.02866	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	267.1336
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03933	0.5
55.34899	0.3
55.64239	0.3
56.05019	1.1
57.71805	0.3
62.35572	0.3
67.05509	0.5
68.14857	0.3
71.26791	0.6
79.05471	0.9
81.07034	0.5
84.04491	23.6
84.08092	0.5
85.02892	1.3
91.05469	2.6
93.07031	4.4
95.04967	1.1
102.05531	1.5
103.05455	3.6
105.07018	0.5
107.08546	0.4
112.03926	0.4
120.04453	0.7
120.08083	0.5
121.06489	100.0
122.06831	0.9
130.04984	15.1
135.04391	0.5
137.05951	0.6
138.09120	29.2
143.36331	0.3
146.75491	0.4
151.07524	0.4
204.10234	3.1
217.17793	0.4
221.12836	2.2
250.10715	15.0
267.13376	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	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03938	3.6
55.01841	2.2
55.05491	5.4
57.03433	20.8
67.05495	13.2
69.03417	2.5
69.07062	2.9
70.07129	6.9
71.04964	2.0
71.10045	1.5
73.68456	1.3
73.96366	1.4
79.05486	12.5
81.03407	100.0
81.07040	8.8
83.04961	5.3
83.08610	13.6
91.05467	18.7
93.07005	6.1
95.04958	20.1
95.08585	3.8
96.92805	1.3
97.02846	1.4
98.21404	1.7
105.07017	15.5
107.04934	5.0
107.08569	3.1
109.06494	4.0
109.10118	2.1
111.08056	5.9
119.08567	9.4
121.06476	1.5
121.10107	5.4
129.06975	7.8
131.08514	6.2
133.06474	3.1
133.10081	3.4
137.09668	2.0
142.07765	2.3
147.07988	2.1
147.11644	7.0
149.09578	4.4
157.10152	7.2
169.38036	1.4
175.11148	9.2
193.12239	18.1
211.13228	3.1
249.14882	2.2
267.15915	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03928	3.3
55.01873	1.6
55.05509	7.0
57.03427	22.4
57.07059	0.8
67.05493	12.3
69.03410	2.6
69.07047	2.2
71.04977	1.1
79.05482	12.8
81.03403	100.0
81.07041	13.6
83.04969	5.5
83.08605	14.2
87.51270	0.6
91.05460	17.2
93.07025	7.7
95.04951	21.3
95.08586	5.1
97.02879	1.9
97.06541	1.2
97.10124	1.7
98.21468	2.0
100.15277	0.7
105.07012	12.8
107.04932	5.2
107.08575	4.0
109.06488	3.4
109.10154	2.0
111.04417	1.4
111.08052	5.7
112.41548	0.8
115.05450	2.0
117.06995	1.2
119.04945	1.1
119.08556	11.9
121.06495	2.0
121.10097	4.4
123.08028	1.7
123.11679	1.6
125.09473	0.8
129.06972	5.9
131.08554	6.8
133.06476	2.3
133.10088	5.1
137.09613	1.0
142.07779	3.0
147.08014	2.5
147.11647	10.9
149.09584	4.3
149.10666	0.8
157.10100	8.1
165.12732	2.6
175.11162	10.5
193.10547	1.4
193.12218	18.8
200.06477	0.8
205.12257	1.1
211.13231	3.3
249.14801	0.7
267.15866	43.6
287.80859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	3.2
55.01863	2.0
55.05500	6.6
57.03429	20.4
65.03925	0.7
67.05498	13.0
69.03419	3.0
69.07059	3.4
71.05000	1.3
71.55369	1.4
79.05484	13.5
81.03406	100.0
81.07045	13.6
83.04982	4.5
83.08609	13.3
85.06519	0.7
87.92309	0.6
91.05465	18.2
93.07028	7.1
95.04955	19.3
95.08595	5.0
96.64218	0.8
97.02869	3.1
97.06504	1.4
97.10157	1.9
105.07009	13.2
107.04941	4.8
107.08554	3.8
109.06505	3.3
109.10132	1.4
111.04462	0.9
111.08071	6.2
115.05421	1.0
115.64212	0.7
117.06989	1.4
119.04928	1.0
119.08575	10.7
121.06493	1.6
121.10133	4.9
123.08035	1.1
123.11681	1.1
129.06990	6.0
131.08559	7.6
133.06458	2.1
133.10126	2.9
136.06215	0.8
137.09619	1.7
142.07773	2.0
145.10139	1.3
147.08017	2.2
147.11658	6.9
149.09619	3.5
157.10100	9.7
165.12721	1.6
175.11177	7.5
193.12212	18.0
211.13232	3.2
249.14766	1.1
267.15878	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	266.1384
Annotation	Salinosporamide G
Peak:m/z	Relative Intensity
53.03934	1.0
55.05481	0.6
55.76445	0.4
56.05019	0.5
57.10568	0.5
60.17960	0.5
66.09835	0.5
66.66161	0.4
67.05502	2.5
70.06572	0.9
71.37399	1.0
75.33794	0.4
79.05474	0.9
80.04997	0.5
81.03400	1.2
81.07013	0.8
82.06596	0.6
83.05006	0.5
83.20109	0.5
84.08139	0.6
85.02887	0.6
91.05474	1.0
93.07037	0.5
94.06556	8.0
95.04934	1.1
96.58859	0.5
105.03403	0.9
106.06541	1.5
107.04959	0.8
110.06022	2.6
119.08509	0.6
120.08073	0.5
122.06017	8.6
123.04375	0.5
123.05862	0.7
123.06784	13.3
134.06009	2.3
136.06171	0.8
138.05484	36.7
140.07086	0.9
146.03654	0.9
149.05861	0.6
150.05489	31.4
151.06267	18.8
152.07063	2.8
153.07741	0.7
160.07564	1.4
161.05899	0.6
164.07068	1.3
168.06544	100.0
169.07324	5.9
176.06941	1.2
177.07785	0.9
178.06296	2.4
190.08549	0.8
193.08630	0.9
195.02393	0.5
198.76682	0.5
202.12172	1.2
204.27504	0.5
218.11508	0.5
220.13293	5.9
230.11797	1.7
248.12805	8.4
266.13855	47.4
267.14102	1.2
283.56470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
59.04988	0.5
61.02936	1.2
67.05489	0.2
71.04984	1.7
71.26898	0.3
71.27229	0.4
79.05476	0.8
81.03429	0.4
81.07044	3.2
87.08097	0.2
87.89745	0.2
91.05441	0.2
94.04042	1.5
94.11668	0.2
119.03536	2.0
135.10321	0.2
136.06168	100.0
137.04582	2.4
137.05737	0.4
138.05486	0.3
150.05548	0.3
150.07692	0.3
167.00237	0.2
168.06560	1.2
185.94884	0.2
234.13467	19.4
235.13828	0.3
248.12805	0.3
266.16083	45.4
267.16333	0.9
284.26846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	12.3
60.94395	0.5
65.03937	1.2
70.02938	3.6
73.06552	1.5
76.57738	0.6
77.38735	0.6
79.05469	1.0
84.48746	0.7
88.03201	1.0
88.03983	61.5
91.05468	85.5
92.02154	0.6
92.05804	1.1
92.77816	0.6
95.04950	0.8
97.28925	0.6
98.21574	1.0
102.05527	100.0
113.02341	1.2
120.08100	6.4
123.04396	0.6
126.47791	0.6
130.04977	1.7
145.33496	0.5
146.05946	2.4
148.06029	59.1
160.86343	0.6
166.08635	2.4
176.82520	0.5
199.30983	0.7
206.08070	3.0
220.09663	6.5
234.07516	1.7
248.09135	1.2
266.09808	0.9
266.21194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	3.6
55.05491	1.7
56.05018	5.9
56.96554	11.4
57.03422	1.5
62.15977	1.5
68.02657	1.6
69.03411	4.6
69.07076	2.1
69.32903	16.1
70.06583	1.8
71.04983	1.8
73.02911	2.2
74.02427	5.5
79.05505	2.7
81.03403	2.4
81.04539	3.3
81.07045	1.9
82.06570	6.1
83.04964	2.0
84.04495	99.9
84.08145	3.1
85.02888	5.2
91.05518	2.6
93.04495	3.2
94.06520	2.2
95.04967	2.8
95.06081	5.5
97.02880	6.2
98.97582	8.3
99.04995	1.5
103.05448	1.6
105.04500	3.8
105.06996	2.7
107.04929	6.5
107.06070	7.7
110.06002	8.1
115.03911	2.3
116.98621	5.4
119.05177	2.8
119.06051	51.5
120.28897	1.6
121.02869	2.2
121.04025	1.7
121.06535	4.7
121.07613	57.9
122.06075	2.4
122.07127	12.6
123.07477	8.4
127.03931	2.0
128.07057	4.3
128.98549	1.8
130.06535	2.0
131.06027	2.1
132.08043	1.9
133.06467	4.3
134.99641	3.9
136.06190	2.8
137.05995	2.8
139.05006	5.3
144.04768	3.7
145.05020	2.5
145.07494	1.7
146.99622	2.4
147.04381	1.8
149.05960	3.1
150.05434	2.2
151.07555	1.5
152.05650	5.1
154.04938	2.8
155.04642	2.2
158.99620	2.0
159.09154	4.7
159.71069	1.4
165.06581	100.0
169.07666	2.4
177.00740	2.9
185.07021	2.5
187.08630	5.6
201.00703	1.5
202.08662	2.1
204.11324	9.3
205.09610	2.2
219.01762	2.6
220.09586	2.6
231.07599	1.6
242.06581	1.9
248.07719	1.3
248.10283	29.1
249.08704	5.9
251.02280	1.6
266.11307	37.3
266.14273	1.2
266.58124	1.9
272.58932	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	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03932	1.7
55.05502	10.0
57.03444	0.9
57.07048	2.2
63.58566	0.7
64.94114	0.7
65.03912	2.6
67.05496	100.0
69.03432	1.3
69.07059	10.2
71.04971	2.4
71.65823	1.0
79.05479	14.4
81.03385	1.3
81.07047	95.8
83.04978	1.1
83.08602	4.0
85.06521	3.5
91.05464	4.7
93.07037	12.0
94.41608	0.7
95.04948	2.3
95.08595	82.9
96.08864	0.9
97.06516	1.7
97.10161	1.8
99.04440	0.8
104.91939	0.8
105.06998	3.3
107.08586	8.1
109.06524	1.8
109.10140	61.6
110.10438	0.9
117.07037	1.1
119.08585	3.3
121.06517	1.0
121.10110	6.0
122.07139	2.9
123.08084	1.8
123.11687	29.5
131.08551	3.7
133.10141	4.3
135.11687	5.2
137.05957	1.1
137.09599	1.9
137.13232	5.7
144.04759	2.0
145.10100	3.3
147.11681	2.7
149.09590	2.2
149.13255	3.7
151.11122	0.9
151.14825	1.1
153.09076	1.1
155.08527	0.8
159.11639	3.3
163.11143	3.4
163.14835	1.9
167.10603	1.1
173.13242	4.6
177.12645	1.9
180.29968	0.9
181.12259	1.6
187.14810	2.0
191.14223	1.3
195.13803	2.1
209.15372	1.8
223.16875	1.1
229.19467	1.1
247.20529	3.6
251.15234	0.8
265.21616	42.6
266.13251	0.8
266.21970	1.3
275.15741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41705	0.1
65.66798	0.1
67.69375	0.1
70.10423	0.4
74.38527	0.1
82.99461	0.1
82.99891	0.2
86.24237	0.1
89.29078	0.1
101.00859	2.0
105.56394	0.1
116.98776	0.1
119.01897	11.5
120.02003	0.2
122.97813	0.2
134.99881	0.8
136.01169	0.1
137.02928	3.3
140.98808	0.3
142.03488	0.3
153.00961	0.7
158.99834	1.0
165.99614	0.2
175.02997	0.3
177.00919	23.1
178.01003	0.8
179.00775	0.2
182.99802	0.5
193.03979	0.5
195.01971	0.5
199.03033	0.2
200.02512	0.5
201.00847	1.3
201.02412	0.1
217.04056	3.0
218.03636	0.2
219.01964	26.7
220.02097	1.6
221.01988	0.3
224.00081	0.1
225.00813	2.2
227.99567	0.1
234.00620	0.1
240.05615	0.1
242.03593	0.8
243.01927	8.7
244.02124	0.3
260.04630	0.3
261.03009	100.0
262.03152	4.3
263.03455	0.4
266.03622	0.5
275.04483	0.2
275.95767	0.1
284.04642	5.3
285.04807	0.4
288.07843	0.1
289.05887	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	265.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.05502	10.0
57.03444	0.9
57.07048	2.2
63.58566	0.7
64.94114	0.7
65.03912	2.6
67.05496	100.0
69.03432	1.3
69.07059	10.2
71.04971	2.4
71.65823	1.0
79.05479	14.4
81.03385	1.3
81.07047	95.8
83.04978	1.1
83.08602	4.0
85.06521	3.5
91.05464	4.7
93.07037	12.0
94.41608	0.7
95.04948	2.3
95.08595	82.9
96.08864	0.9
97.06516	1.7
97.10161	1.8
99.04440	0.8
104.91939	0.8
105.06998	3.3
107.08586	8.1
109.06524	1.8
109.10140	61.6
110.10438	0.9
117.07037	1.1
119.08585	3.3
121.06517	1.0
121.10110	6.0
122.07139	2.9
123.08084	1.8
123.11687	29.5
131.08551	3.7
133.10141	4.3
135.11687	5.2
137.05957	1.1
137.09599	1.9
137.13232	5.7
144.04759	2.0
145.10100	3.3
147.11681	2.7
149.09590	2.2
149.13255	3.7
151.11122	0.9
151.14825	1.1
153.09076	1.1
155.08527	0.8
159.11639	3.3
163.11143	3.4
163.14835	1.9
167.10603	1.1
173.13242	4.6
177.12645	1.9
180.29968	0.9
181.12259	1.6
187.14810	2.0
191.14223	1.3
195.13803	2.1
209.15372	1.8
223.16875	1.1
229.19467	1.1
247.20529	3.6
251.15234	0.8
265.21616	42.6
266.13251	0.8
266.21970	1.3
275.15741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03925	2.6
55.05503	9.1
57.07065	2.3
57.21169	1.0
65.03922	3.1
67.05492	100.0
69.03403	1.5
69.07062	7.6
71.08633	1.3
71.60024	1.4
71.60499	1.6
79.05472	11.5
79.87641	1.0
81.03400	3.3
81.07046	89.4
83.04950	1.3
83.08611	5.0
85.06527	3.9
91.05464	7.5
93.07023	14.6
95.04935	5.2
95.08591	79.6
97.06573	1.1
97.10149	2.6
105.07005	6.6
107.04935	1.4
107.08573	8.6
109.06489	2.8
109.10134	61.8
111.08056	1.5
117.06989	1.9
119.08570	7.0
121.06533	1.6
121.10111	6.9
122.07127	5.7
123.08046	3.1
123.11691	26.6
127.07548	1.5
129.06941	1.3
131.08549	5.6
133.10141	2.6
133.27348	1.1
135.08078	1.4
135.11688	4.3
137.13211	6.0
143.08601	1.9
144.04741	1.2
145.10123	3.5
147.11688	3.3
149.09650	2.4
149.13275	3.0
151.11153	2.2
151.14766	1.2
157.10164	1.1
159.11655	3.9
163.11211	2.2
165.12798	1.4
169.10146	1.2
173.09627	1.1
173.13235	2.8
177.12727	1.7
180.79285	1.1
181.12254	1.3
187.14792	1.3
189.50954	1.1
191.07040	1.1
191.14363	1.7
195.13712	2.2
209.15363	2.6
223.16879	1.4
229.19473	1.9
233.15469	1.9
247.20592	5.1
265.18777	2.0
265.21622	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	265.1544
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	0.5
55.05240	0.7
55.05504	11.8
56.05010	0.6
57.05805	1.5
60.19742	0.4
65.03915	0.6
67.05503	0.8
69.03403	1.0
69.07064	0.6
70.06569	0.6
71.60314	0.6
72.08145	100.0
73.08473	0.4
79.05492	1.1
81.07047	0.8
84.08129	0.7
85.02901	0.5
91.05475	1.7
92.88808	0.4
93.07046	1.6
95.04958	1.6
95.08624	0.9
97.02892	1.5
97.06544	0.6
103.05482	0.9
105.07053	1.4
107.04942	0.8
107.08600	0.6
109.02886	0.5
109.06514	0.6
111.04452	0.9
117.07024	0.7
119.08590	1.6
120.08091	13.5
121.02884	0.8
121.06523	1.0
121.10147	0.6
122.07126	2.9
123.04439	0.5
123.08014	0.4
128.06265	0.4
129.06947	0.5
129.53183	0.4
131.04956	0.6
131.08545	0.9
135.08075	1.1
136.06163	3.2
137.02345	0.6
137.05960	0.5
139.03911	0.4
143.08519	0.5
144.04793	0.8
145.02763	0.6
145.06512	0.5
145.10135	0.8
147.04376	0.7
147.08032	0.6
147.11583	0.4
149.05994	0.7
149.09641	0.4
159.08037	1.0
159.11707	0.5
161.09633	0.9
163.03896	1.2
165.09134	0.4
166.08624	10.3
173.09520	0.4
175.07573	1.3
177.05479	0.5
181.06566	0.6
181.10226	0.4
187.11163	0.7
189.08968	0.4
190.07755	0.4
191.07053	0.4
191.08582	1.2
193.08650	0.7
194.07349	0.5
201.12750	0.8
203.10686	0.6
205.04974	0.4
205.08594	0.5
205.12253	0.5
209.09660	1.2
219.08067	1.2
219.10062	0.5
220.11020	0.4
229.12259	0.4
237.09119	1.2
247.16805	0.4
265.08893	4.3
265.15393	3.0
266.27634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
53.03943	2.1
55.01881	1.9
55.05494	6.2
56.48853	1.7
56.99607	1.6
65.03915	4.7
67.01768	1.8
67.05502	13.2
69.03419	14.4
69.07050	5.9
70.03564	9.4
71.04984	5.0
72.08148	29.6
79.05498	12.1
79.11573	2.1
81.03381	2.7
81.04508	2.6
81.07038	12.0
83.04963	7.8
83.08605	1.6
84.04489	6.9
84.08133	4.6
85.02878	2.8
85.06545	2.8
87.04431	2.2
91.05464	27.9
93.03422	2.9
93.07024	19.2
94.13205	1.9
95.04957	26.1
95.08617	8.9
97.02861	3.7
97.06528	4.9
99.04451	3.4
103.05464	13.1
105.07027	31.6
107.04934	4.2
107.08575	10.6
109.02866	3.3
109.06512	16.5
109.10107	4.2
111.04433	14.7
111.08096	4.0
113.05997	7.3
115.05468	4.3
117.07019	9.5
118.06519	8.2
118.08688	2.2
119.04947	3.5
119.08572	43.6
120.08092	100.0
121.02847	7.3
121.06497	20.8
121.10129	6.3
122.07129	21.7
123.04411	3.8
123.08070	12.0
125.09595	2.0
127.03951	1.8
128.06200	6.2
128.07091	1.9
129.07033	8.6
130.07780	3.7
131.04903	3.3
131.08537	21.3
133.06451	6.5
133.10118	10.9
135.04401	2.6
135.08037	29.5
135.09929	2.6
136.07544	7.7
137.05954	3.6
137.09583	7.4
139.03899	6.7
139.07568	3.4
141.06961	4.6
142.07741	5.2
143.08572	11.5
143.09503	2.0
144.04723	4.5
144.05751	2.1
144.09315	4.1
145.06439	9.7
145.10121	17.0
146.07286	2.3
147.08052	23.9
147.11690	8.4
149.05908	4.5
149.09569	5.6
151.07513	3.1
152.05690	8.1
153.06976	2.7
153.09059	2.0
155.08527	4.0
156.09320	3.1
157.10136	9.0
158.07243	9.1
158.10973	2.4
159.08026	14.1
159.11665	19.5
160.08661	2.4
161.05939	5.1
161.09605	18.9
161.13261	2.4
163.07487	2.7
163.11201	2.7
165.09077	14.3
169.10091	3.8
171.07985	2.2
171.11705	2.4
172.08751	8.8
173.05872	2.7
173.09573	8.6
173.13248	9.7
175.07535	29.0
175.11150	15.6
177.05428	3.2
177.09094	3.5
183.11687	5.9
185.09607	4.6
187.11174	15.0
189.09084	8.1
189.12692	7.6
191.07019	3.1
193.08594	10.8
193.12312	2.1
196.08835	4.4
199.11201	6.7
201.12714	15.4
203.10611	14.5
205.06648	1.9
205.08604	3.5
205.12170	9.9
207.10075	4.8
211.11172	10.1
217.12198	7.0
219.06462	3.7
219.13731	3.3
229.12222	16.0
235.13315	5.5
247.13193	22.7
265.08539	4.4
265.11749	4.0
265.14499	20.7
265.18430	3.4
266.14017	2.2
267.34747	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	265.1431
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
53.03940	8.9
55.01876	3.6
55.05509	16.4
57.03426	3.3
57.38062	3.4
65.03931	11.8
67.05503	32.7
69.03421	48.4
69.07063	4.8
69.86662	21.1
69.86971	6.4
70.00581	3.2
71.04984	11.2
75.43785	2.8
79.05482	27.3
79.59001	3.1
81.03409	6.0
81.07048	23.3
83.04968	13.6
85.06499	4.4
87.04449	4.0
89.17735	3.5
91.05465	74.9
93.03384	10.0
93.07030	53.6
95.04955	61.9
95.08585	35.0
97.02863	7.6
97.06522	9.0
99.04440	5.1
101.75407	3.1
103.05472	9.6
105.07014	94.3
107.04903	6.4
107.08578	32.9
109.02874	7.5
109.06499	35.8
109.10134	8.1
109.60025	2.9
111.04428	42.3
111.08060	10.5
113.05995	20.8
115.05427	6.9
116.06215	6.2
117.07027	23.4
119.08564	98.9
121.02859	19.1
121.06495	51.7
121.10130	19.8
122.07120	9.3
123.08067	26.8
125.05965	4.3
128.06213	10.9
129.06998	23.3
130.07776	13.1
131.08560	50.0
133.06467	13.3
133.10135	31.1
135.08034	100.0
137.05948	6.4
137.09579	18.3
139.03870	11.7
139.07518	12.1
141.06978	11.8
142.07774	13.3
143.08521	22.0
144.05678	5.0
144.09354	9.7
145.06479	15.3
145.10086	39.3
146.07231	7.9
147.08026	44.7
147.11687	14.4
149.05939	9.2
149.09604	16.9
150.05461	5.4
151.07529	5.7
153.06934	6.5
153.09131	5.7
155.08553	10.3
156.09306	15.4
157.06401	4.5
157.10100	26.9
158.07259	27.1
158.10805	6.5
159.08035	52.8
159.11662	47.3
160.08777	7.5
161.06018	7.7
161.09601	42.8
161.13246	4.3
163.03917	5.4
163.07513	3.8
165.09085	45.1
166.07709	4.5
167.08508	4.1
168.06549	5.5
168.09348	10.9
169.10109	9.5
171.08063	9.2
171.11624	16.0
172.08794	28.1
173.09607	27.5
173.13266	25.0
175.07530	94.8
175.11150	51.5
181.10123	5.6
183.11684	18.6
185.09607	6.8
185.13167	4.2
186.10437	6.6
187.11150	52.8
187.66241	3.4
189.09061	13.1
189.12761	15.3
193.08543	31.5
193.10071	5.4
196.08778	10.8
199.11119	15.4
201.12711	47.3
203.10660	57.1
205.12206	11.6
211.11176	25.3
214.09970	4.2
217.12228	35.3
219.13748	13.5
219.15758	3.9
229.12206	35.9
235.13251	11.0
247.13272	60.5
248.12994	3.3
265.08624	8.4
265.14270	64.0
265.17328	4.2
265.18298	4.2
266.14130	3.5
283.09808	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	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
51.10933	2.0
51.38367	2.1
53.03939	3.3
55.05498	8.7
65.03928	6.6
67.05491	18.1
69.03418	27.0
69.07048	6.1
71.04974	6.0
71.37704	4.3
72.08138	9.8
75.61427	2.0
79.05489	17.7
81.07054	11.8
83.04956	5.6
84.04478	10.4
85.02873	5.7
91.05463	41.9
93.03383	6.0
93.07022	29.4
95.04954	32.2
95.08591	15.5
97.02864	4.2
97.06501	5.1
99.04430	5.5
103.05437	9.7
105.03362	2.7
105.07014	42.2
107.04919	4.4
107.08570	16.0
109.02876	2.5
109.06509	21.0
109.10130	4.6
111.04437	17.8
111.08051	6.7
113.06011	13.4
115.05447	4.7
116.06226	4.0
117.07021	10.9
118.06512	21.1
118.08601	2.4
119.04919	6.8
119.07909	1.4
119.08559	58.4
120.08093	100.0
121.02858	10.7
121.06474	29.3
121.08363	2.1
121.10126	10.2
122.07180	11.2
123.08049	12.5
125.05947	3.0
128.06207	4.8
129.06969	11.0
130.07805	3.3
131.08534	31.0
133.06496	5.3
133.07556	1.9
133.10130	12.2
135.08037	51.6
136.07549	28.2
137.09625	11.4
139.03868	6.6
139.07477	3.7
141.06979	5.8
142.07733	8.9
143.08530	13.6
144.04741	4.6
144.05746	2.8
144.09326	5.5
145.06438	14.8
145.10121	21.4
146.07220	2.4
147.04388	4.7
147.08026	23.3
147.11652	9.1
149.05977	4.8
149.09575	8.2
152.05643	6.2
153.09137	3.3
155.08534	3.0
156.09309	5.5
157.10115	16.5
158.07199	14.0
159.08046	26.2
159.11650	24.7
160.08795	2.9
161.05922	2.2
161.09602	23.0
161.13211	3.6
163.07539	2.5
164.08574	2.2
165.09093	19.5
168.09389	4.6
169.10107	2.5
171.08029	4.2
171.11621	6.2
172.08807	12.7
173.05986	2.8
173.09622	10.9
173.13211	14.5
175.07533	46.0
175.11127	20.7
177.09074	2.2
180.27316	2.0
183.11710	7.2
185.09584	5.5
186.10403	5.5
187.07564	4.1
187.11136	27.4
189.09071	6.5
189.12659	12.0
191.06908	2.9
193.08539	13.8
193.10071	2.4
196.08852	4.8
199.11119	8.4
201.12698	24.8
202.08646	4.4
203.10619	32.2
205.08534	5.6
205.12296	6.7
207.10161	3.7
211.11124	11.3
217.12213	15.4
219.13792	6.8
229.12251	17.0
235.13286	6.9
247.13239	27.9
248.09181	3.2
265.08734	3.8
265.11868	3.7
265.14429	26.8
266.12527	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	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
53.03925	9.2
55.01856	4.8
55.05507	27.2
57.03441	4.3
57.07050	3.8
60.75138	3.0
65.03915	9.5
67.05497	26.0
69.03426	33.7
69.07051	8.5
70.06561	4.5
71.04981	6.4
72.08143	100.0
79.05485	20.2
81.03390	4.9
81.04548	3.6
81.07040	26.3
83.04967	15.1
88.99559	3.4
91.05470	57.5
93.03399	9.7
93.07021	41.1
95.04964	45.4
95.08586	22.9
97.02873	8.0
97.06512	8.9
98.20683	7.4
99.04443	6.6
103.05447	5.8
105.07014	65.3
107.04929	4.8
107.08576	20.2
109.02866	5.4
109.06501	33.5
109.10124	10.7
111.04438	25.9
111.08063	11.1
113.05997	11.3
115.05461	8.5
117.06973	21.7
119.04928	3.8
119.08566	79.8
120.08083	13.1
121.02858	18.7
121.06499	50.7
121.10115	17.1
122.07156	15.4
123.04385	4.6
123.08035	24.1
125.05962	6.2
128.06200	7.5
129.06964	16.7
130.07785	4.1
131.04900	4.3
131.08551	43.7
132.05615	4.4
133.06479	13.5
133.10089	14.0
134.03783	3.9
135.07050	6.0
135.08032	84.9
136.06178	5.8
137.02319	9.2
137.05945	7.1
137.09586	13.7
139.03856	20.1
139.07492	8.3
141.06960	6.9
142.07771	8.8
143.08522	14.3
144.05702	7.2
144.09254	6.7
145.06471	18.6
145.10120	32.6
146.07195	3.2
147.04369	5.3
147.08022	38.2
147.11670	14.0
148.08739	3.9
149.06003	6.6
149.09599	12.6
149.15189	3.3
150.05458	3.4
151.07555	6.1
153.06972	4.1
153.09096	7.7
154.07706	4.0
155.08563	7.9
156.09320	5.8
157.06445	4.1
157.10138	20.9
158.07201	20.1
159.08005	36.9
159.11630	38.9
161.05940	6.8
161.09590	35.9
161.13284	3.8
163.07587	4.1
165.09091	27.4
166.08617	10.7
168.09387	3.5
169.06401	4.3
169.10126	5.0
171.08087	8.5
171.11708	8.6
172.08794	20.2
173.09607	18.0
173.13240	20.9
175.03899	3.9
175.07516	76.9
175.11139	37.9
177.05490	3.3
181.06448	3.8
181.10211	6.3
183.11700	11.8
185.09596	7.4
186.10342	6.6
187.11162	39.8
189.05295	3.2
189.09065	11.2
189.12718	9.8
191.03326	6.7
191.08528	5.0
191.10745	4.2
193.08568	28.3
193.10115	5.1
196.08772	8.1
199.11159	16.5
201.12726	29.2
203.10669	45.2
203.94083	3.3
205.04897	4.3
205.08534	4.2
205.12206	8.0
209.09590	3.7
211.11163	23.0
217.12201	27.1
219.13803	5.6
229.12204	25.5
235.13272	3.8
237.09076	4.9
247.13260	39.6
265.08701	21.8
265.11087	7.6
265.14377	59.0
265.17386	3.8
265.17941	3.0
266.13901	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	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03924	0.9
55.01859	1.2
55.05283	1.2
55.05506	15.5
57.03424	1.2
57.07062	11.0
65.03914	2.5
67.05495	93.2
69.03423	1.1
69.06742	1.3
69.07056	14.9
70.78596	3.6
70.78942	1.1
71.04978	2.1
71.08631	7.0
76.59618	0.9
79.05479	23.7
81.07043	100.0
83.04971	1.4
83.08608	14.7
83.89034	1.0
85.06511	4.2
85.10155	2.9
91.05466	18.6
93.07031	27.3
95.04956	2.4
95.08593	84.9
97.06525	7.8
97.10158	7.6
99.08086	6.9
99.68699	1.1
105.07015	14.7
105.77780	1.1
107.08588	13.9
109.06512	1.4
109.09410	2.1
109.10143	41.5
111.08040	3.8
113.09606	2.2
119.08560	12.4
121.10111	16.9
123.08033	4.6
123.11681	19.4
127.11203	1.4
133.09154	1.7
133.10092	14.8
135.11682	8.3
137.09586	3.8
137.13257	6.8
141.12720	2.5
143.08597	1.3
147.11662	9.4
149.13240	8.8
151.11215	1.4
151.14801	6.8
155.14322	1.2
161.13252	9.8
163.14792	5.6
165.12720	1.0
165.16368	10.5
175.14795	6.9
177.16316	1.4
179.14348	1.8
179.17903	3.0
181.15811	2.1
189.16385	3.1
217.19296	1.2
221.13321	1.3
245.22607	28.2
263.08777	1.9
263.17902	3.3
263.23660	58.9
269.63879	1.3
271.16754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.91657	0.8
53.03924	1.1
55.01859	0.7
55.05243	0.9
55.05504	15.4
57.03419	1.7
57.07069	12.2
60.44733	0.9
65.03915	1.9
67.05497	85.6
69.07062	17.7
69.28627	9.0
69.93537	0.9
71.04977	1.7
71.08617	8.4
78.84469	0.7
79.05485	22.5
81.03430	1.0
81.07047	100.0
82.83792	0.9
83.04961	2.1
83.08607	14.0
85.06546	4.5
85.10166	3.0
91.05467	17.2
93.06435	1.7
93.07031	24.1
95.04931	1.9
95.08593	87.2
96.08946	0.9
97.06532	8.1
97.10154	6.6
99.08070	5.4
105.07018	12.0
107.08581	13.5
109.06494	1.6
109.10139	45.8
111.08070	5.8
113.09612	3.2
119.08565	13.1
121.10133	15.9
123.08028	2.5
123.11697	20.3
125.09616	1.8
127.11166	1.3
131.08565	1.0
133.10124	15.4
135.11659	9.2
137.09590	2.2
137.13235	6.4
141.12704	2.1
142.50105	0.9
147.11681	10.5
149.13239	7.8
149.35588	0.7
151.11185	1.5
151.14801	6.8
155.14288	1.0
161.13220	10.7
163.14818	6.8
165.16365	9.0
175.14816	6.6
177.16339	1.7
179.17953	4.0
181.15907	1.6
189.16374	2.8
203.17928	1.7
217.19365	1.1
219.21199	0.8
226.50342	0.9
245.22617	30.1
263.08463	2.6
263.23676	55.5
263.79648	0.8
264.24036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.03455	0.7
54.32672	0.3
55.01855	0.8
55.05488	0.5
56.05032	0.3
56.96558	10.0
57.03425	2.3
57.97351	0.3
60.63405	0.4
60.95836	0.4
61.02930	1.7
61.82401	0.3
67.05501	0.5
69.03420	4.6
69.07059	0.8
69.85915	1.2
69.86333	0.8
70.06581	1.1
70.98103	1.0
71.01311	0.4
71.04981	0.7
71.95245	0.4
73.02910	1.7
73.06534	0.3
74.97607	0.8
79.05475	0.8
80.05003	0.9
81.03449	1.9
81.04530	14.1
81.07041	1.1
83.04951	0.5
84.04491	0.7
84.08127	1.0
84.96021	0.7
85.02896	5.9
86.03242	0.4
86.09628	0.3
87.04440	1.1
88.03970	0.3
88.99159	0.9
91.03928	0.4
91.05461	1.9
93.07074	0.7
95.04948	0.7
96.01534	0.3
97.02879	5.2
97.06464	0.3
98.21371	0.5
98.97562	8.9
101.00829	0.7
102.96880	0.4
103.00589	0.5
105.06990	0.4
107.00172	0.5
107.04936	1.2
107.08610	0.6
109.02868	1.5
110.01292	0.5
110.97563	0.5
111.04449	0.5
112.07594	0.4
113.02961	1.0
115.03944	0.4
116.23700	0.3
116.98604	9.0
117.01909	0.5
119.01874	2.6
119.04926	0.8
121.01659	1.8
121.06521	0.5
122.07136	100.0
123.04422	0.6
123.07435	0.7
126.03741	1.0
127.03896	1.3
128.02301	0.7
128.98595	1.2
131.00153	0.8
131.01862	0.7
131.08531	0.4
133.01602	1.4
133.03485	0.5
133.06493	0.6
134.99641	6.5
137.02965	0.4
137.05959	3.7
138.05412	0.4
138.98952	0.4
139.01550	0.8
140.00240	0.4
140.02118	0.3
143.00188	0.5
143.01895	0.7
144.04764	27.9
144.98091	0.5
145.01625	1.3
145.03453	0.6
146.99629	2.9
147.01297	0.3
147.04315	2.9
149.01201	1.2
150.00697	0.3
150.99149	0.6
153.00728	1.0
155.00264	0.4
155.04651	0.5
156.03664	0.7
156.04832	0.4
157.03394	0.5
158.01253	0.5
158.99635	1.5
159.08110	0.4
161.01247	0.9
161.02907	1.7
161.04816	0.9
162.03249	0.6
162.99174	0.8
163.02634	3.7
164.07040	0.4
165.00684	1.2
167.03598	0.7
167.54382	0.4
168.05414	3.0
168.55652	0.6
170.99725	0.6
173.02843	0.4
175.02673	1.3
177.00739	2.7
177.02248	0.5
177.04311	0.6
177.05949	4.1
179.07060	0.7
181.03496	0.9
184.03212	0.6
184.04831	0.4
186.99246	0.4
187.00867	1.0
187.02734	0.7
188.56706	0.5
189.00627	0.7
189.02405	0.4
189.04158	0.5
190.54681	0.4
190.98618	1.0
193.00124	1.7
193.03748	0.4
195.05042	1.1
197.01184	1.0
198.52905	0.4
199.04475	0.6
201.00690	0.7
201.02504	0.4
201.06046	0.4
203.02223	0.8
203.04054	0.4
204.04701	0.5
204.55019	0.7
205.00157	2.0
205.03757	0.9
207.01738	0.5
208.04933	0.6
217.05496	1.2
218.98190	0.8
219.01836	1.8
219.05023	1.3
223.01195	2.5
223.04614	1.1
224.02362	0.5
226.01408	0.5
237.02713	0.9
237.06076	1.2
241.03893	0.5
242.05215	0.6
245.03188	0.4
245.06837	0.7
247.01381	0.7
247.10857	0.4
251.04306	0.4
261.03058	2.0
265.02066	0.5
265.06027	1.4
265.11627	1.9
265.14655	0.7
269.05359	0.7
270.05862	0.4
277.07626	0.4
282.96313	0.4
283.05243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03922	4.9
53.47709	1.5
55.01852	6.6
55.05246	1.9
55.05502	31.5
57.03408	2.0
57.07050	1.5
65.03925	3.3
67.05158	2.6
67.05499	46.8
69.03381	1.7
69.06747	1.9
69.07061	22.1
70.85396	3.6
71.04973	4.5
79.05483	72.6
81.03399	5.1
81.07048	53.7
83.04954	5.0
83.08607	16.8
85.06523	2.2
91.04934	2.9
91.05472	41.1
93.07033	96.4
95.04951	9.9
95.08017	2.9
95.08593	39.0
97.02849	2.1
97.06511	5.6
97.10185	4.5
99.04468	1.9
99.50658	1.5
105.04475	1.9
105.07022	33.1
107.04945	3.1
107.08582	55.7
109.06525	8.7
109.10149	22.1
111.04459	2.4
111.08092	8.9
113.09635	1.6
117.06989	4.4
119.08568	23.7
121.06522	2.3
121.10128	62.7
123.08035	6.3
123.11660	3.7
125.05970	2.9
125.09587	3.2
129.06972	4.0
131.08528	7.8
133.06332	1.7
133.10123	18.8
134.89305	1.5
135.08032	3.2
135.11684	31.6
137.09616	2.7
139.07494	6.2
139.11183	3.7
143.08583	3.8
144.51924	1.7
145.10080	5.9
147.08003	4.0
147.11670	14.7
149.09595	4.0
149.13231	14.2
151.11180	5.7
153.09064	5.4
153.12648	1.5
157.10124	4.9
159.11662	3.6
161.09566	1.7
161.13232	8.1
163.11134	2.1
163.14828	2.5
165.09035	1.7
165.12686	2.2
171.11642	3.9
171.42622	1.6
173.13260	2.3
175.11172	4.5
175.14806	2.1
177.16278	1.4
179.10733	1.5
179.14279	2.2
185.13255	3.5
189.12746	3.6
193.12247	2.4
203.14206	1.7
203.17957	1.8
207.13739	5.7
217.19548	3.7
221.15295	2.3
227.17953	3.2
235.20430	3.0
245.18967	5.7
260.58197	1.7
263.08694	2.6
263.20038	100.0
263.23309	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	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03931	5.2
55.01860	3.1
55.05279	1.7
55.05504	21.4
57.03410	2.2
57.07066	2.1
59.43150	1.6
62.51283	1.7
65.03931	3.9
67.05154	2.0
67.05494	33.2
69.03408	2.5
69.07057	13.9
69.60947	11.9
70.06596	1.9
71.04969	2.1
73.06524	3.8
77.03880	2.3
77.82229	1.6
79.05482	80.5
81.07043	42.9
81.07482	1.8
83.04943	3.0
83.08602	9.6
85.06553	1.7
91.05466	31.3
91.06031	2.0
93.07031	100.0
95.04982	11.7
95.08593	35.3
97.02869	5.3
97.06499	4.1
97.10153	2.5
98.20766	2.3
103.05446	2.6
105.07006	25.6
107.08578	69.9
109.06501	7.0
109.10152	11.7
111.04417	1.8
117.06985	5.6
119.08544	14.7
121.06492	2.5
121.10124	59.3
123.08057	3.1
123.11700	4.1
129.06985	3.9
131.04831	2.1
131.08537	5.8
133.10101	14.5
135.08067	3.7
135.11662	35.4
137.05988	2.1
139.03770	1.8
143.08562	3.8
145.06447	2.2
145.10081	5.1
147.07996	2.2
147.11699	8.5
149.09669	2.7
149.13235	14.2
151.07509	2.7
157.10103	5.4
159.11646	5.1
160.24693	1.9
161.09579	3.1
161.13213	5.6
163.11121	3.5
163.14720	2.0
165.09090	2.1
165.12775	2.2
171.11613	4.1
175.07570	3.5
175.11206	2.6
175.14914	1.9
177.05444	3.7
177.12695	3.7
179.10651	2.1
181.12189	2.4
185.09587	1.6
189.09190	2.4
191.03418	2.1
195.13718	2.0
203.06944	2.3
205.05011	2.5
206.05734	2.8
207.13811	2.8
219.10078	3.1
227.17862	3.5
233.04382	2.1
235.09610	3.0
245.18941	3.7
245.22723	2.5
248.06798	3.1
263.08984	8.8
263.12637	3.2
263.16580	6.8
263.20050	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92281	4.2
53.26665	4.5
53.72206	4.0
56.96540	6.9
58.06585	12.2
58.43657	4.2
60.39317	3.9
62.60340	3.8
67.25109	4.0
69.03428	6.9
69.66688	33.3
69.77244	4.5
84.08134	4.9
84.65871	5.1
94.06580	6.8
98.20785	7.7
100.07628	4.9
101.00862	19.5
102.09125	5.1
113.00848	7.8
119.01896	41.0
131.01862	28.8
137.02950	4.0
143.01892	48.4
145.03419	6.4
146.08049	7.6
155.01863	18.3
161.02934	100.0
173.02953	34.8
182.54958	5.3
185.02962	7.1
189.13103	5.5
191.03975	23.3
196.04643	5.9
203.04012	20.5
263.01688	33.1
263.05942	24.5
263.08710	6.4
263.16791	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31384	18.0
60.90972	18.4
66.44039	19.9
69.01027	17.4
70.18864	100.0
85.02817	19.9
103.34857	18.6
119.01867	44.3
133.25047	19.5
137.74940	22.5
143.01869	64.6
161.02931	83.1
173.02873	28.6
254.34042	21.4
263.01563	97.1
263.05939	24.7
263.16766	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2001
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03924	3.8
55.01866	1.6
55.05252	1.3
55.05500	21.3
57.07060	2.5
65.03917	2.1
67.05495	25.4
69.03394	1.6
69.07059	13.5
69.68756	9.1
71.04977	3.2
77.03953	1.4
79.05480	75.1
81.07043	32.1
83.04979	2.3
83.08606	12.2
84.22226	1.2
91.05461	24.9
93.07028	100.0
95.04954	7.8
95.08022	1.8
95.08592	30.6
96.88293	1.3
97.06522	2.1
97.10147	2.9
105.07011	17.5
107.08577	62.7
109.06498	4.6
109.10136	12.9
117.06971	4.1
117.57254	1.1
119.06000	1.2
119.08543	14.6
121.06517	1.5
121.10126	63.3
123.08065	2.0
123.11687	2.0
125.09615	1.9
129.07007	3.0
131.08534	4.3
133.10104	13.9
135.08025	1.5
135.11678	42.5
136.12003	1.4
143.08536	2.1
145.10063	5.6
147.11667	7.0
149.09607	3.7
149.13223	12.3
149.43802	1.3
157.10110	1.8
159.11665	3.7
161.09572	1.4
161.13217	3.8
163.11168	2.8
163.14825	1.7
171.11617	2.6
175.11023	1.5
175.14709	1.1
181.12283	2.5
185.13229	2.5
189.12743	1.8
193.12143	1.4
195.13695	1.7
199.14818	3.6
205.04906	1.6
207.11845	1.2
207.13724	2.8
221.15274	2.4
227.17894	1.8
245.18993	3.3
247.31520	1.6
263.08948	2.1
263.16791	4.0
263.20047	57.8
264.79605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
53.00293	0.2
55.05493	0.3
56.05038	0.3
57.07064	8.5
58.06590	1.7
60.04509	0.2
62.40107	0.2
68.05009	0.2
69.07063	0.4
70.06580	20.6
70.88770	0.3
70.89146	0.4
71.08617	5.0
72.08155	0.6
74.06082	0.3
84.08125	0.5
86.06034	0.2
86.09700	0.3
87.04453	0.7
88.07616	27.2
93.07034	0.2
97.02888	0.5
102.09161	15.6
111.04438	0.2
118.06521	0.3
131.04915	0.2
132.10213	0.8
146.11694	0.9
150.11243	0.7
152.03307	0.2
156.17494	1.2
174.18524	0.6
175.07497	0.2
176.14305	1.6
177.05374	0.3
191.80345	0.2
199.07520	0.2
200.20059	53.0
201.20424	1.1
222.04579	0.2
244.22684	3.5
262.17938	3.0
262.23724	100.0
263.24005	2.0
281.95599	0.2
282.88733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2372
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
51.23129	0.3
55.00362	0.3
55.05496	0.4
56.05024	11.6
57.06812	0.5
57.07064	7.8
58.06322	0.5
58.06586	6.2
60.04514	2.3
66.64134	0.3
68.05015	1.0
69.07036	0.5
69.60834	2.6
71.08627	1.6
71.77046	0.3
74.06068	10.3
85.10185	1.8
85.96841	0.3
86.06052	1.9
88.07614	36.7
90.05577	0.6
96.27612	0.3
104.07075	1.1
106.08698	0.3
118.07840	0.5
118.08638	6.6
122.08115	6.6
200.20074	0.6
209.70323	0.3
214.21620	48.1
215.21947	0.9
216.07539	0.3
244.22659	1.4
262.23734	100.0
263.24066	1.3
275.63458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03924	6.8
55.05504	17.0
57.07059	5.9
65.03907	2.0
67.05149	3.2
67.05494	56.9
69.07057	11.0
71.04993	2.1
71.08615	2.6
71.60457	3.0
79.05482	83.1
81.07043	61.9
83.08604	6.9
85.06526	5.3
91.05465	49.7
93.07030	97.6
95.04948	8.9
95.08593	47.2
97.06505	4.8
97.10191	3.6
99.08054	4.4
105.07018	31.9
107.04967	3.1
107.08575	61.5
108.18051	1.5
108.26913	2.3
109.06481	5.8
109.10126	17.7
111.08043	3.8
111.14843	1.5
113.09669	2.0
117.07010	10.8
119.08566	25.2
121.06466	2.4
121.10123	43.9
123.08047	6.2
123.11672	4.3
125.09631	2.0
129.07030	1.5
131.08551	26.1
133.10110	17.0
135.08031	10.8
135.11664	35.6
137.09634	3.2
137.13254	2.2
143.08551	1.6
145.10118	17.5
147.11638	16.8
149.09563	2.4
149.13229	24.2
151.11143	2.9
159.07976	2.0
159.11664	15.3
161.13235	16.3
163.14796	19.6
173.13229	14.0
175.14789	6.0
177.16371	6.2
179.14235	1.6
181.20020	1.7
187.14810	8.7
201.16327	3.6
203.17888	2.3
215.17990	2.7
233.22659	2.9
243.17389	2.3
243.21065	37.7
261.03830	3.2
261.07672	3.0
261.18570	13.6
261.22095	100.0
262.22638	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	262.1797
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
52.27282	0.6
57.07070	3.3
69.37099	0.4
70.06227	0.5
70.06585	7.1
71.08612	1.7
71.66048	0.6
84.08109	1.1
87.04458	32.6
88.07624	7.3
97.02887	1.4
102.09003	0.5
105.07030	0.6
106.08627	0.8
106.76641	0.6
114.09184	2.6
118.06527	12.2
118.08633	0.6
131.04889	0.7
132.08102	4.0
132.10193	11.1
133.08844	1.8
134.09676	1.0
135.78285	0.5
142.07253	0.5
146.09619	2.6
147.10503	0.5
150.11235	9.1
151.07451	0.7
160.08398	0.8
175.07504	1.8
176.14333	76.7
177.05444	0.9
177.14682	1.2
186.18478	0.7
200.20084	0.6
216.07382	1.0
218.21091	3.0
219.10291	0.7
245.08066	0.6
262.18011	100.0
262.23749	48.1
263.18481	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	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19939	0.4
55.05500	0.7
57.07071	7.1
58.06577	0.4
68.05002	0.7
69.07014	0.5
70.06582	15.3
70.21756	2.0
71.08618	4.6
78.03651	0.4
84.08120	1.1
86.09678	0.8
87.04054	0.4
87.04462	5.1
87.31521	0.4
88.07621	15.2
97.02879	0.6
98.21409	0.4
102.09158	1.0
106.08649	2.6
108.66072	0.4
114.09145	6.0
118.06532	1.7
118.08630	2.1
131.04892	0.7
132.10191	22.9
146.09616	0.7
150.11234	19.8
159.07910	0.4
160.08366	0.5
167.46985	0.4
175.07549	0.5
176.14320	11.7
177.14618	0.4
186.18517	1.5
200.20064	1.3
216.07304	0.9
218.21141	6.4
262.17987	16.2
262.23740	100.0
263.24030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
53.03932	4.0
55.01838	1.1
55.05498	16.9
57.03407	1.8
57.07069	5.2
65.03915	1.8
67.05492	51.4
69.07052	15.2
70.40928	2.0
71.04970	3.3
71.08604	1.9
77.03901	1.1
77.93911	0.7
79.05479	67.8
81.07042	58.7
83.04958	1.5
83.08602	7.8
85.06520	5.1
85.16228	0.7
91.05461	36.7
93.07027	91.4
94.07366	1.2
95.04955	5.7
95.08586	39.5
97.06521	3.9
97.10139	3.7
99.08067	3.6
105.04526	1.2
105.07010	25.6
107.04971	0.8
107.08575	57.5
109.06493	2.8
109.09415	1.2
109.10135	18.0
111.08051	3.1
113.09604	1.3
117.07004	8.2
119.08553	17.4
119.82103	0.7
121.10118	47.0
123.08041	2.2
123.11664	5.3
125.09617	1.1
127.11134	0.8
129.07019	0.9
131.07553	0.9
131.08540	16.5
133.10107	14.7
135.11664	38.5
137.09592	1.6
137.13191	1.4
139.11130	1.5
143.08524	0.9
145.10103	16.3
145.41415	0.8
145.55293	0.7
146.10513	0.9
147.11656	12.5
149.09599	1.0
149.13231	29.6
151.11153	1.3
151.14763	1.4
153.12683	1.1
159.11684	12.8
161.13220	11.5
163.11115	1.3
163.14787	22.9
165.12733	1.1
173.13235	10.0
175.14775	5.9
177.16360	4.8
179.14261	2.1
187.14775	8.3
189.16359	1.1
201.16362	2.8
205.15764	1.2
213.73318	0.7
215.17902	2.1
219.17401	1.4
233.22560	1.7
243.21040	32.0
244.21431	1.4
261.07742	0.9
261.22089	100.0
262.22455	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	3.5
53.72458	0.8
55.01844	1.3
55.05503	15.4
57.03438	1.8
57.07063	5.9
65.03925	1.7
67.05495	45.7
67.49879	0.9
69.07059	14.1
70.85321	1.9
70.85688	1.8
71.04972	2.5
71.08623	1.7
76.04439	0.9
77.03906	1.6
79.05485	68.6
81.07045	58.7
83.04964	1.6
83.08612	10.5
85.06550	4.9
91.05462	33.8
93.07031	88.4
95.04961	6.8
95.08592	38.8
95.09203	2.2
97.05938	1.0
97.06522	4.1
97.10143	1.8
99.08072	4.6
103.05460	1.3
105.04456	1.3
105.07009	25.7
107.08580	51.1
109.06487	2.6
109.10142	16.4
111.08047	4.5
111.11727	1.1
113.09626	1.2
115.53689	0.9
117.06998	8.7
119.08541	17.4
121.10126	47.4
123.08054	2.3
123.11722	5.6
125.09595	1.2
129.06952	1.0
131.08554	16.7
133.10095	15.3
135.08017	1.5
135.11678	38.6
137.09599	2.8
137.13184	1.6
139.11243	1.0
145.10107	18.3
147.11667	12.1
149.09573	1.6
149.13226	30.4
151.11230	1.3
159.11690	13.7
161.13240	15.4
163.14803	27.7
165.12721	2.7
173.13225	12.6
175.14835	6.4
177.16318	6.9
179.14279	1.7
187.14798	8.7
189.16467	1.1
201.16302	4.5
215.17958	1.2
243.21048	38.5
261.22101	100.0
262.14310	1.7
262.22485	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92678	0.7
53.03928	3.0
54.47245	0.6
55.01855	1.9
55.05501	15.5
57.03422	1.5
57.07069	4.4
65.03927	1.8
67.05493	50.6
69.06701	1.2
69.07059	15.6
69.31915	7.2
71.04959	2.2
71.08615	1.4
77.03902	0.9
79.05479	65.3
81.07043	55.5
81.07415	0.7
83.04967	1.3
83.08610	7.5
85.06524	4.9
91.05464	35.4
93.07030	86.2
95.04961	6.2
95.08589	42.5
97.06515	5.3
97.10131	2.0
98.21490	1.6
99.08064	4.2
100.45757	0.6
105.04506	1.3
105.07010	20.8
106.98651	0.7
107.08577	51.9
109.06498	3.3
109.10136	15.6
111.08054	3.8
111.11721	1.0
113.09615	1.2
117.07005	7.3
119.07758	1.0
119.08564	17.0
121.10123	45.3
123.08041	1.7
123.11699	4.3
130.07774	1.0
131.08546	18.0
132.38078	0.7
133.10107	15.7
133.11063	0.6
135.11668	39.6
136.12013	0.7
137.09627	2.0
137.13240	1.0
139.11151	1.3
143.08484	1.0
145.10110	17.6
147.11670	13.3
149.09587	0.9
149.13237	30.4
151.14818	1.1
153.12679	1.0
157.10196	1.0
159.11664	11.7
161.13226	13.3
163.14798	19.4
165.12735	1.6
173.13254	12.4
175.14801	6.1
177.16347	5.5
179.14305	2.3
185.13126	0.8
187.14783	9.4
189.16196	1.2
196.43518	0.7
201.16396	3.4
205.15901	0.7
215.17880	2.1
219.17332	0.8
233.22618	1.0
243.21042	34.0
261.22101	100.0
262.22565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03921	3.0
55.05502	14.9
57.03426	1.9
57.07060	3.8
65.03912	1.7
67.05496	45.5
69.07058	13.9
69.90556	5.6
71.04970	2.3
71.08588	1.4
76.99776	0.9
77.03912	1.1
79.05482	64.6
81.07043	53.0
83.08605	8.1
85.06522	4.1
91.05467	33.5
91.06043	1.6
93.07030	80.7
95.04946	4.5
95.08595	40.6
95.09211	1.9
97.06503	2.8
97.10129	3.1
99.08066	4.4
105.04511	1.7
105.07019	22.1
107.08578	50.6
109.06507	3.0
109.10137	16.3
111.08059	2.9
113.09643	1.2
117.06997	7.3
119.08571	16.4
121.10125	45.9
121.10999	2.2
123.08021	2.4
123.11702	4.7
125.09632	1.7
131.08551	16.9
133.10120	15.4
135.11679	39.8
137.09595	2.5
137.13234	1.3
145.10095	14.6
147.11664	15.4
148.11984	1.5
149.09663	0.9
149.13239	29.4
159.11665	12.5
161.13239	13.7
163.14803	21.2
165.12720	1.2
171.11674	0.9
173.13242	12.1
175.14767	5.5
177.16370	7.0
179.14294	1.6
187.14798	8.2
201.16368	3.4
205.15778	1.1
215.17911	2.6
216.04005	0.9
233.22626	1.6
243.21059	33.4
247.30870	1.0
256.04584	1.1
261.22101	100.0
262.22495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02394	0.7
53.03942	2.8
55.01873	0.8
55.05238	0.7
55.05506	13.7
57.03420	1.3
57.07066	4.9
57.07333	0.8
65.03930	2.0
67.05496	40.6
69.06691	0.6
69.07062	12.5
70.07638	3.1
71.04983	2.2
71.08621	1.5
75.61456	0.5
77.03909	1.4
79.05482	55.2
81.07044	49.9
82.07403	1.0
83.04964	1.3
83.08608	7.0
85.06522	4.3
85.10188	0.5
87.85740	0.6
91.05466	29.4
93.07033	75.0
94.07356	1.1
95.04963	5.9
95.08593	38.1
97.06529	4.1
97.10172	3.2
98.21456	0.8
99.08086	3.6
103.95365	0.5
105.07017	19.9
107.08579	49.4
108.08969	0.6
109.06509	2.2
109.10146	16.8
111.08057	3.1
111.11715	0.6
113.09626	1.5
115.05379	0.7
117.07006	6.7
119.08562	16.3
121.10131	41.6
122.10437	0.6
123.08066	1.8
123.11698	4.4
125.09606	0.8
130.07741	0.6
131.08551	16.1
133.10110	13.3
134.91501	0.6
134.97670	0.6
135.08054	0.9
135.11679	37.8
137.09563	1.7
137.13220	1.3
139.11200	1.0
145.08957	1.2
145.10103	15.2
147.11664	12.5
149.13237	28.1
151.11156	1.5
151.14816	0.8
152.60060	0.6
153.12724	1.6
159.11674	11.2
159.66791	0.6
161.13255	12.5
163.11159	0.7
163.14790	21.5
165.12741	1.5
173.13246	10.3
175.14815	5.6
177.12755	1.2
177.16344	6.4
179.14307	1.9
187.14803	7.8
189.16342	1.5
201.16345	3.7
203.18004	0.9
205.15802	0.8
215.17918	2.3
217.19536	1.1
233.19029	0.7
233.22661	1.5
243.21053	33.8
244.21356	1.3
261.22107	100.0
262.22409	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01850	1.5
55.05501	13.6
57.03413	1.4
57.07059	4.0
59.67394	1.0
65.03930	1.6
65.27861	1.0
67.05495	40.6
69.07063	10.7
71.04967	2.6
71.58905	1.3
71.59307	1.4
75.08953	1.0
79.05482	51.3
81.03365	1.4
81.07046	44.9
83.08615	6.1
85.06520	3.6
91.05465	23.9
93.07030	64.8
95.04941	4.2
95.08591	32.1
97.06506	3.6
97.10144	2.5
99.08080	3.6
105.04523	1.5
105.07012	15.7
107.08580	45.1
108.08978	1.1
109.02834	1.3
109.06509	1.5
109.10151	12.8
111.08051	3.3
113.09634	1.4
117.07006	5.8
119.08557	15.9
121.10125	38.9
123.08052	2.8
123.11684	3.3
125.09599	1.2
131.08528	14.1
133.10118	14.0
135.11679	33.5
137.09572	2.2
137.13210	1.3
145.10097	15.5
147.11673	11.0
149.09601	1.4
149.13229	22.6
151.11211	1.5
159.11694	11.3
161.13254	10.6
163.11072	1.2
163.14804	17.7
164.08522	1.0
173.13249	11.6
175.14809	4.0
177.12666	1.1
177.16389	4.3
185.84842	1.0
187.14824	7.3
201.16348	2.6
203.17917	1.3
215.17920	1.4
219.17374	1.6
233.22452	1.3
243.21053	31.0
261.22110	100.0
262.14420	3.3
262.22311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	2.3
54.25457	1.6
55.05504	14.2
57.03405	1.9
57.07055	6.3
67.05156	2.4
67.05495	39.8
68.68366	1.6
69.07056	14.3
71.04991	1.9
71.08610	2.8
71.60640	2.4
79.05480	48.4
79.32556	1.7
81.03399	5.7
81.07045	47.0
83.04976	2.5
83.08588	7.0
85.06515	2.4
91.05469	34.7
93.07028	62.3
95.04931	5.5
95.08012	2.9
95.08593	35.9
97.06507	5.4
97.10160	2.6
98.98467	8.6
99.08062	2.7
105.07014	22.2
107.08575	43.7
109.02924	1.8
109.06491	5.5
109.10123	17.3
111.08034	2.1
117.06984	10.5
119.08564	15.9
121.10123	34.2
123.08050	2.9
123.11677	6.2
131.08546	30.7
133.10094	16.2
135.08017	4.0
135.11690	27.6
137.09534	3.1
137.13225	2.9
137.46791	2.0
145.10091	24.7
147.11662	14.7
149.09584	2.5
149.13246	15.5
151.11102	2.1
159.11697	15.9
161.13263	14.5
163.11166	2.4
163.14836	14.3
173.13232	14.4
175.14796	4.8
175.32033	1.7
177.16371	5.4
179.14355	2.4
187.14806	9.2
201.16335	4.7
217.19514	4.1
233.22609	2.6
243.21071	55.0
261.03848	2.0
261.22110	100.0
262.14459	3.3
262.22336	1.9
281.36807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0753
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
52.97647	0.9
53.03922	1.1
55.01857	1.9
55.05484	3.1
59.04996	1.4
65.03613	1.4
65.03931	12.5
67.05488	6.4
69.03407	3.1
69.07059	1.3
71.60406	1.4
77.37315	0.8
79.05473	1.6
81.03387	1.2
81.07030	2.3
81.92139	0.9
83.04932	2.6
83.08585	0.9
91.05460	10.5
93.02860	1.2
93.03397	11.8
93.07030	2.5
95.04953	5.9
95.08576	3.2
97.02880	11.2
97.06474	1.2
103.05429	1.8
105.06995	2.3
107.04939	10.6
107.08564	3.1
109.02863	2.1
109.10123	2.6
111.04426	3.8
112.96481	0.9
115.05450	8.9
116.06195	2.1
117.06987	3.4
119.04901	3.5
121.02854	15.4
121.10101	1.4
123.04401	2.6
123.11659	1.1
127.03896	1.1
128.06195	10.2
129.06973	6.4
131.04892	10.7
131.08548	29.9
133.06438	2.7
133.10092	2.3
139.03859	7.7
139.05341	1.0
141.05923	1.9
141.06972	33.4
143.08511	3.8
144.05679	22.1
145.06471	8.6
145.10107	2.4
147.04381	8.8
147.08049	1.4
149.02299	3.2
152.06172	5.4
153.06984	6.3
155.06000	1.5
157.06470	24.9
158.06010	1.5
158.07233	11.2
159.08031	100.0
160.08360	1.2
165.05525	1.5
167.03418	6.1
168.05630	2.2
169.06442	42.6
169.07596	3.4
170.06973	1.5
171.08026	13.4
173.05928	6.4
177.05467	1.7
179.06079	1.1
181.06377	1.4
184.05156	2.3
185.05963	12.3
187.07518	50.6
191.60957	0.9
197.05951	44.8
198.06458	1.4
199.07414	2.2
201.01759	1.9
201.05389	1.3
203.06871	1.1
215.06998	86.5
216.07278	1.3
217.08510	1.9
225.05411	3.1
233.08110	1.1
243.06520	14.1
261.07520	72.2
261.11044	4.0
261.25635	1.3
262.07919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01855	1.2
55.05513	1.6
57.03433	5.8
59.04998	2.1
65.03931	0.7
67.05501	2.5
69.03423	100.0
69.07059	0.7
70.03760	0.9
71.04993	7.5
71.65962	1.3
73.02910	8.9
79.05482	1.5
81.03407	21.3
81.07038	1.1
81.34219	0.6
83.04970	4.7
84.08149	1.2
85.02894	9.8
87.04430	1.0
91.05475	3.0
93.03413	0.9
93.07043	1.3
95.04964	2.7
95.08570	1.2
97.02879	9.1
99.04443	24.8
105.07003	1.6
107.04949	1.3
107.08572	0.8
109.10159	0.6
111.04447	5.2
113.05981	1.0
115.03937	3.3
115.05468	1.2
117.05482	11.2
117.06993	1.5
119.04906	0.9
119.08575	1.4
120.08060	1.8
121.02853	1.0
121.06554	1.1
123.04428	1.6
123.08075	0.8
127.03831	0.7
128.06250	1.2
129.05540	0.8
129.07007	1.9
130.06531	1.1
131.04921	1.2
131.08543	2.8
133.06419	0.9
137.02342	0.7
137.05945	0.7
139.03908	1.4
141.05420	0.7
141.06961	3.4
143.08528	1.3
144.05661	2.0
145.04951	2.6
145.06474	2.1
147.04395	2.4
151.03915	0.9
155.04689	0.8
155.08496	1.0
157.06422	2.0
158.07292	1.3
159.08051	8.3
160.05171	0.8
161.05957	1.0
163.03839	0.8
169.05049	0.8
169.06459	2.7
169.07744	1.0
171.06546	0.8
171.08031	1.7
173.05962	2.4
175.07526	2.9
187.07544	5.6
189.08974	1.1
191.07028	0.7
197.06000	3.5
199.05878	3.2
201.05536	1.4
201.09074	2.3
205.04924	1.1
213.09399	0.7
215.07036	7.1
215.10617	2.1
233.11716	0.8
243.06509	2.7
243.10294	1.2
261.03922	1.4
261.07443	4.6
261.09686	35.7
262.10187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0755
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.51270	0.7
54.71771	0.7
55.01855	1.7
57.07049	1.0
62.30091	0.8
65.03931	10.8
67.05492	4.3
69.03419	1.3
69.97916	4.2
72.57626	0.7
81.03422	0.9
83.04981	1.2
91.05471	8.2
93.03391	10.8
95.04967	3.9
97.02882	9.9
99.04532	0.7
101.65967	0.7
105.07038	1.3
107.04937	7.5
109.02848	1.7
111.04414	2.8
115.05441	8.0
116.06252	2.2
117.07011	2.6
119.04927	1.1
121.02841	11.3
123.04462	1.9
127.05427	0.7
128.06194	10.7
129.06998	6.4
131.04900	7.9
131.08553	27.2
133.06479	1.8
139.03879	3.3
141.06970	30.7
143.08553	3.4
144.05682	24.8
145.06473	4.5
147.04411	1.8
147.81161	0.8
149.02367	2.0
152.06195	6.0
153.06989	7.3
155.06020	1.1
157.06479	23.5
158.07263	10.8
159.08037	100.0
161.05956	5.0
167.03372	2.8
168.05705	1.4
169.06441	42.5
169.07637	5.3
170.07246	1.2
171.08031	11.8
173.05998	4.7
181.06273	1.1
184.05208	2.1
185.05927	11.2
186.06674	0.9
187.07521	46.9
197.05957	39.8
197.07841	1.4
199.07561	4.0
203.06984	1.6
205.06616	0.8
215.07007	64.7
216.07356	1.3
217.12164	0.9
225.05450	3.3
233.07990	0.7
243.06500	12.0
243.10143	1.3
261.07550	62.5
281.21973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0755
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.01849	3.7
55.05484	1.3
61.79744	1.1
65.03932	10.3
65.35212	1.0
67.05498	6.4
68.99763	1.8
69.03416	5.7
71.04985	1.7
84.08224	1.1
85.02911	1.3
86.09689	1.2
91.05460	7.6
93.02953	1.0
93.03405	11.4
93.07022	1.4
93.23649	1.0
95.04955	8.2
95.72144	1.2
97.02892	12.4
103.05428	2.5
105.07011	2.9
107.04939	10.9
109.02853	1.4
111.04412	3.1
115.05426	7.1
116.03424	2.0
116.06245	2.1
117.07005	3.2
119.04887	1.9
119.08538	2.2
121.02854	14.7
123.04395	2.7
128.06189	8.6
129.06981	5.9
131.04919	9.5
131.08556	26.0
133.06461	3.4
133.10271	1.2
139.03885	5.7
141.06981	35.7
143.08531	2.7
144.05685	26.2
145.06459	9.0
147.04367	4.6
149.02339	1.9
152.06168	5.6
153.06985	6.9
155.05965	1.4
157.06470	23.7
158.06081	1.3
158.07253	8.6
159.08040	100.0
161.05966	2.4
167.03360	8.9
168.05704	1.4
169.06450	46.1
169.07645	5.4
171.07993	10.0
173.05971	4.0
177.05490	1.3
184.05173	2.5
185.05963	12.0
187.07520	55.4
188.07956	1.5
197.05968	37.4
197.13139	1.2
198.06509	1.4
199.07547	2.1
201.05406	2.5
201.09256	1.7
215.07005	99.6
216.07343	2.5
225.05431	3.7
233.08083	1.8
243.06511	14.5
261.04129	2.5
261.07547	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1602
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05026	8.3
56.96563	18.9
57.03430	1.9
60.04523	1.8
69.03434	3.8
69.07063	5.3
70.06586	5.3
71.04947	1.4
72.08134	4.4
74.02432	4.7
74.97605	1.6
79.05467	2.1
81.03429	1.6
82.06585	5.7
83.06093	53.0
83.06569	3.3
84.04493	74.7
84.08134	51.1
84.96019	2.5
85.02891	4.3
85.04829	1.9
85.08471	1.8
86.09695	100.0
87.04482	1.7
91.05470	2.7
92.29765	1.4
92.74826	1.5
95.04945	1.9
96.77612	1.5
97.02879	4.5
98.97565	8.7
100.07588	8.0
101.07122	4.6
102.05581	1.9
102.09161	1.6
105.07018	4.3
107.04944	3.8
113.05917	1.7
116.98601	4.8
121.06485	4.2
122.03089	3.2
122.06882	2.0
128.98576	2.5
129.06606	5.4
129.10219	9.1
130.04993	2.8
130.06497	2.1
130.08638	4.7
131.09029	1.8
132.10181	23.0
133.06474	11.0
134.99614	2.8
135.04381	1.7
137.05972	2.0
138.05476	2.2
141.06548	2.1
144.06624	2.5
146.99609	3.5
147.11288	5.4
151.07492	2.4
152.07907	2.4
157.13324	11.9
158.04520	3.7
161.01225	2.0
161.05940	3.0
172.04288	3.2
177.05489	2.4
179.06999	4.0
185.12837	3.2
186.04027	3.0
189.00597	2.9
189.12349	3.4
196.14412	7.8
197.10062	2.3
197.12833	28.7
200.05479	2.4
207.03320	2.9
213.98676	2.0
219.01878	3.4
223.06006	1.9
225.04420	4.7
237.02795	2.6
242.14975	50.3
243.13373	22.5
243.15895	1.7
243.17064	3.2
246.27660	1.6
255.01765	4.7
258.06650	1.6
260.09177	2.1
260.13498	3.9
260.19757	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	260.258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	7.9
58.06574	0.6
61.66726	0.3
62.06076	0.6
67.44673	0.2
69.37777	2.6
70.06581	12.8
71.01323	1.1
71.06879	0.3
71.08263	0.3
71.08619	2.6
73.24996	0.2
79.05473	0.3
82.09180	0.3
85.10149	0.9
86.06087	0.3
88.07617	16.7
91.05464	0.4
102.09162	4.6
102.09825	0.2
103.05454	0.4
105.06993	0.4
106.08652	9.1
109.02850	0.4
111.12397	0.3
115.05431	0.3
117.06979	0.3
126.09756	0.3
128.06235	0.5
129.06996	0.7
131.04907	1.1
137.05930	0.4
139.05327	0.3
141.33565	0.3
143.08533	0.3
144.05649	1.2
145.06464	0.6
155.04886	0.6
156.05606	0.4
157.06473	1.2
159.04347	0.6
171.08049	0.3
172.05145	1.2
173.05971	0.5
174.06755	0.6
175.07607	0.4
183.04327	0.5
184.05116	0.5
185.05988	0.3
187.07480	1.2
199.07480	0.9
200.04588	0.6
201.05467	0.8
215.06992	2.4
216.23091	0.5
217.08549	1.1
228.04143	0.4
228.06546	0.3
233.08066	1.0
236.05426	0.3
242.24750	6.7
243.06464	1.8
260.25809	100.0
261.07596	0.5
261.18347	0.3
261.26120	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	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02365	0.9
52.04940	0.7
53.03931	1.9
55.01842	1.4
55.05500	11.7
57.03408	1.2
57.07047	2.7
65.03926	1.1
67.05497	23.9
68.15347	0.7
69.03414	0.9
69.06740	0.9
69.07055	9.5
71.04961	2.4
71.61885	1.4
77.03927	0.9
79.05028	1.3
79.05479	19.5
81.07042	22.7
81.54893	0.8
83.04972	2.1
83.08578	2.8
85.06506	2.0
91.05465	45.9
93.07027	21.3
95.04957	3.9
95.08591	17.4
97.06503	4.8
97.10154	1.9
99.08083	1.9
103.05433	2.4
105.07014	61.3
107.08578	11.0
109.06468	1.3
109.10133	6.6
111.08025	1.4
115.05407	1.2
117.06997	16.5
117.52010	0.8
119.04913	0.8
119.08559	45.1
120.08920	0.8
121.06489	10.9
121.10118	7.5
123.08068	1.1
123.11659	1.3
125.09599	1.1
128.06197	2.5
129.06975	9.3
130.07787	0.9
131.08548	19.3
133.10104	37.2
135.08035	2.1
135.11664	4.8
137.09572	1.0
139.11208	0.9
142.07744	1.5
143.08545	10.3
145.06421	0.8
145.10101	19.8
147.08014	1.9
147.11667	29.0
149.09592	1.8
149.13229	3.0
151.07541	7.0
155.08398	1.0
156.09279	1.0
157.10110	11.5
159.11674	16.8
161.09590	2.1
161.13232	19.8
163.03896	1.1
163.11089	2.0
163.14821	1.5
164.89398	0.9
165.09061	3.7
169.10144	1.0
171.11684	12.7
173.13225	10.8
175.11137	2.1
175.14818	11.0
177.12660	1.3
185.13237	9.8
185.61009	0.7
187.07484	1.5
187.14766	2.1
189.09064	1.3
189.12723	1.4
189.16426	0.9
199.07532	1.5
199.14772	5.1
201.16350	2.6
203.14114	1.0
213.09279	0.9
213.16281	3.6
215.07034	1.1
215.17941	2.1
217.04956	0.9
217.15762	1.0
231.06606	1.0
231.21027	3.8
241.12143	0.9
241.19479	22.5
259.05951	3.1
259.09622	2.7
259.13260	7.5
259.20532	100.0
260.20865	2.6
262.72769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05502	10.4
56.29395	2.2
57.07077	2.3
67.05494	11.0
69.07056	37.8
69.30531	28.1
71.04981	24.8
79.05474	6.6
80.64894	2.0
81.07043	23.2
83.04964	4.7
83.08599	9.9
85.06525	23.7
91.05463	8.7
93.07027	17.6
95.04949	4.5
95.08590	20.6
97.06511	3.4
98.21407	4.3
105.07005	29.9
107.08591	24.8
109.06498	8.6
109.10114	13.3
111.08071	11.7
111.11730	2.3
117.06989	7.5
119.08565	53.3
120.69399	2.2
121.06458	2.9
121.10107	12.0
123.11672	27.4
129.07045	4.6
130.07745	3.0
131.08530	14.7
133.09174	3.5
133.10118	41.1
135.08035	13.9
135.11691	7.2
137.09576	2.6
143.08528	8.6
145.10098	38.0
147.11681	21.5
149.09531	2.6
156.09312	5.1
157.10065	15.0
159.11670	34.6
160.12399	4.1
161.09515	2.7
161.13243	40.2
170.10883	2.7
171.11681	17.1
172.12480	2.2
173.13245	10.8
175.11237	4.8
175.14801	85.8
176.15379	3.3
177.12721	4.8
177.16388	3.6
185.13280	17.9
189.12732	6.3
189.16391	7.3
190.13463	4.1
191.14236	3.3
199.14851	3.7
201.16350	27.1
203.14238	12.0
215.17886	6.5
217.19475	4.0
238.04626	2.5
241.19495	15.8
259.20544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05500	15.4
56.88482	1.9
57.03427	11.2
57.07058	8.1
66.00164	2.1
67.05503	21.9
69.07057	11.7
69.71968	15.7
79.05486	20.8
81.07050	23.2
83.08614	10.8
85.26286	2.0
91.05467	54.8
93.07030	22.3
95.04958	3.3
95.08587	24.5
97.10118	3.1
97.88255	2.0
99.08066	5.0
103.05449	6.1
105.07020	69.5
105.07726	4.3
107.04917	5.2
107.08612	14.9
109.06474	2.8
109.10120	6.7
117.06998	57.5
118.85954	2.0
119.08575	54.2
121.06495	32.0
121.10121	10.1
128.06186	8.5
129.06984	24.7
131.08554	65.4
133.10107	53.7
135.07985	4.9
135.11627	5.3
141.06979	2.1
142.07779	5.0
143.08553	23.9
145.06480	3.3
145.10109	45.2
145.11237	4.2
147.10573	3.9
147.11670	40.2
149.13237	4.3
151.07510	21.2
157.10127	19.1
159.11674	88.6
161.13216	15.7
163.11157	4.5
165.09102	9.7
169.10097	2.4
171.11664	32.9
173.13245	50.6
175.11201	2.3
175.14821	7.1
185.13248	32.0
187.14784	43.5
199.14812	18.9
201.16376	3.7
203.18016	2.4
213.09113	2.5
213.16434	4.6
231.25066	5.9
241.19502	42.3
241.23433	4.7
253.39305	2.3
259.05783	3.0
259.13315	20.8
259.20551	100.0
259.24554	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01861	1.1
55.05275	1.0
55.05505	11.5
57.03425	1.1
57.07071	4.1
65.03922	1.1
67.05499	18.5
69.07052	9.1
69.33794	5.4
69.34222	3.9
71.04967	1.6
79.05023	1.3
79.05482	21.4
79.63438	0.8
81.07043	18.3
83.08633	4.6
84.57151	0.8
85.06506	1.7
91.05466	39.4
93.06444	1.0
93.07030	19.9
95.04931	2.6
95.08604	11.9
97.06509	3.6
97.10149	1.6
98.20734	1.4
99.08090	1.9
99.51114	0.9
103.05443	2.9
105.03372	3.6
105.07015	76.2
106.07353	0.9
107.04971	1.2
107.08001	0.9
107.08582	8.6
109.06522	1.6
109.10153	5.5
111.08058	1.8
115.05463	2.5
116.06218	1.2
117.07005	35.5
119.08563	46.5
121.06493	5.8
121.10121	8.5
127.33564	0.8
128.06213	3.5
129.06982	17.3
130.07744	1.7
131.08549	42.0
133.06422	1.0
133.10109	38.3
135.08035	2.0
135.11696	4.2
137.09578	0.9
141.06953	1.1
142.07733	3.5
143.08543	22.0
144.09291	1.2
145.06525	1.1
145.10109	32.0
147.08057	0.9
147.11670	29.1
149.09566	1.7
149.13229	2.6
151.07509	3.5
151.11162	1.2
155.08492	1.3
156.09306	1.2
157.10088	13.0
159.11678	46.4
161.13240	23.0
163.11200	1.8
165.09087	2.3
170.10840	0.9
171.11667	18.1
173.13239	31.4
175.11224	1.2
175.14832	8.5
177.12633	1.3
181.06398	1.0
185.13231	22.9
187.14783	2.3
189.12730	1.0
189.16422	1.1
197.13181	1.0
199.14778	15.7
201.16353	1.2
213.16287	3.3
215.17926	2.8
217.19490	1.0
231.17403	1.0
231.21046	2.1
241.19472	32.6
259.13254	3.1
259.20538	100.0
260.20834	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	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	2.7
55.05277	1.4
55.05500	16.3
57.07056	5.4
65.03928	2.5
65.95795	1.5
67.05196	1.5
67.05499	18.5
69.07058	12.3
70.53757	4.7
71.04975	1.8
79.05478	20.3
81.07041	19.3
83.08599	7.6
91.05463	51.9
93.07029	21.3
95.04932	3.9
95.08587	11.0
97.06497	3.8
97.10152	2.9
99.08092	2.3
103.05441	5.0
105.07018	81.3
106.07306	1.5
107.08594	11.6
109.06464	1.7
109.10129	3.6
115.05460	6.2
117.06998	54.1
119.08559	52.5
121.05880	1.2
121.06510	13.5
121.10098	7.6
123.60751	1.2
128.06195	8.6
129.06993	22.4
130.07736	2.5
131.08548	55.5
133.10112	46.9
135.08046	1.8
135.11658	5.4
141.06909	2.0
142.07759	3.8
143.08537	32.9
144.09192	1.7
145.06445	1.8
145.10103	43.0
147.11661	38.7
149.13225	3.5
151.07507	8.2
152.04272	1.4
155.08488	1.6
156.09276	2.4
157.10107	20.5
159.11670	67.8
161.13248	19.3
163.11182	2.0
165.09117	4.0
171.11673	26.2
173.13237	50.1
175.14743	4.8
177.12776	1.8
185.13240	28.9
187.14806	4.2
199.14801	18.8
213.16428	4.3
215.18123	1.4
231.21057	3.2
241.19485	32.0
259.13324	5.9
259.20532	100.0
259.28232	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	259.0962
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03938	11.1
55.01852	4.9
55.05497	2.6
57.03410	2.4
67.05495	7.5
69.03414	4.0
69.07040	2.1
69.70549	7.2
71.01340	9.8
76.43392	1.1
79.05481	5.4
81.03374	1.6
81.07043	5.8
83.04969	2.0
91.05465	11.2
93.07016	8.3
95.04959	7.4
95.08580	3.6
97.02871	6.3
97.06531	7.0
98.09706	1.5
103.05453	1.3
105.03349	2.0
105.07038	5.3
107.04916	2.4
107.08551	2.1
107.14195	1.1
109.02863	24.8
109.06456	1.3
115.05447	11.7
115.38873	1.0
117.06974	2.3
119.04918	2.0
119.08554	2.6
121.02852	1.6
121.06500	12.6
121.10149	1.8
121.65560	1.1
123.04411	5.8
128.06171	6.5
129.06961	5.0
131.04941	1.7
131.08546	4.3
133.06462	8.2
135.04369	1.7
137.05988	6.9
139.11121	1.1
141.06985	10.1
142.07742	2.2
143.04913	3.4
143.08566	7.6
143.18848	1.3
144.05673	2.7
145.06438	2.7
146.05943	1.3
147.04379	5.3
147.11739	1.4
149.02347	2.6
149.05957	5.6
151.07494	4.3
152.06187	5.3
153.06969	3.3
156.10254	1.9
157.06410	3.6
157.10089	3.3
159.04385	1.4
159.08008	2.4
160.05177	43.9
161.05965	96.4
163.03906	2.0
163.14796	2.5
165.06963	1.7
165.09081	3.0
166.07770	1.8
167.08566	10.4
169.06480	11.5
170.07164	1.5
171.04297	1.5
171.08037	6.5
173.02335	2.6
173.05949	6.2
174.06746	4.2
175.03879	12.7
175.07503	4.1
181.06456	1.8
184.05162	3.7
185.05927	5.1
185.09633	3.6
187.07544	8.7
187.14870	1.8
189.05519	3.1
189.09085	90.7
190.09360	2.1
195.08052	14.5
197.05981	5.5
198.06656	5.3
199.07480	6.5
200.04633	6.3
201.05527	2.4
202.06229	1.2
203.03326	1.3
203.06961	2.6
203.10617	1.3
213.05443	5.3
213.09065	25.5
215.06996	33.0
215.10512	2.1
217.05057	1.7
217.08568	27.4
223.07491	1.6
223.17046	1.3
230.05733	2.9
231.06436	1.9
231.10146	6.3
241.05023	1.5
241.08569	10.8
259.06085	6.4
259.09610	100.0
259.13303	4.3
259.20480	2.0
260.09943	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	Bactacine
Peak:m/z	Relative Intensity
51.02361	0.8
55.01860	0.8
55.05493	1.8
57.07069	4.1
67.05498	7.6
69.07066	6.6
70.92463	1.9
70.92806	1.0
71.04974	2.3
72.17991	0.8
79.05463	4.8
81.07049	27.4
83.08585	1.3
85.06544	1.5
90.34152	0.8
91.05447	4.7
93.07030	7.6
95.04939	4.4
95.08591	16.3
98.20822	0.9
103.05456	1.7
105.03360	4.5
105.07014	9.0
107.08574	8.6
109.06487	3.8
109.10161	6.9
111.08045	2.0
117.06999	3.1
119.08562	9.9
121.06497	5.9
121.10139	6.1
123.08044	1.1
123.11690	68.3
128.06163	1.0
128.70096	0.8
129.07004	1.9
130.07793	1.2
131.08546	5.8
133.10110	5.2
135.08029	10.4
135.11674	2.6
137.09595	12.8
137.13232	1.2
139.11189	1.1
142.07755	1.2
143.08522	2.7
145.10109	12.1
147.11678	5.9
149.09558	3.3
149.13252	1.5
151.07530	4.2
157.10138	4.2
159.11658	6.1
161.09564	1.0
161.13231	4.0
163.11087	1.8
165.09120	1.9
165.12726	1.1
171.11656	4.1
173.11932	1.1
173.13318	2.5
175.11166	2.0
175.14777	5.6
181.06471	1.2
183.92149	0.9
185.13208	3.9
189.12669	3.1
189.16370	1.0
191.14276	1.0
199.14822	2.5
201.16357	7.4
203.14207	2.2
215.17902	2.4
217.19507	0.9
241.19482	5.5
247.93625	1.0
259.13318	3.4
259.20541	100.0
260.20831	2.8
267.63068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27156	1.6
55.05493	2.6
59.91965	2.0
68.41418	2.3
69.03410	4.5
69.80328	13.6
70.06569	2.2
70.79232	1.8
79.05486	3.0
79.34428	2.0
81.04525	11.1
81.07018	3.1
82.06570	2.5
84.08112	5.6
85.02860	2.7
91.05479	4.2
93.07023	4.7
95.04955	4.1
95.06087	10.6
97.02856	5.8
98.97538	4.8
100.07581	7.8
103.05424	4.2
103.07497	1.8
105.06963	5.6
107.04932	3.9
121.06485	23.3
125.07085	14.1
133.06456	3.4
133.10158	2.0
138.05446	3.1
143.08142	9.9
151.07504	14.7
165.09081	7.1
199.07388	2.3
231.06424	2.7
241.15417	5.8
259.04178	100.0
259.13239	13.7
259.16492	33.1
259.20554	2.7
260.09155	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	259.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	1.4
55.05486	2.1
55.99316	0.9
56.05027	1.9
56.96561	30.7
57.03429	3.6
57.07075	1.3
58.06590	1.2
60.04538	1.1
61.02916	2.8
67.04224	3.0
67.05488	3.5
69.03426	7.9
69.07043	1.7
70.06573	4.3
70.98103	2.8
71.01303	1.0
71.04992	1.4
72.08157	1.7
73.02898	3.3
74.00655	6.5
74.02444	1.2
74.06077	1.5
79.05466	2.0
81.03406	3.6
81.04556	1.1
81.07059	1.1
82.06550	2.0
82.59142	0.9
83.04985	2.1
84.04502	6.1
84.08136	22.2
84.96034	2.2
85.02905	10.4
85.08508	1.4
86.09689	2.3
87.04451	2.3
88.99168	1.7
91.05471	5.6
92.05816	1.1
93.07033	5.3
95.04951	3.6
96.79695	0.9
97.02888	14.1
97.96764	1.3
97.99105	1.1
98.21456	2.4
98.97575	14.9
99.04448	1.5
100.02194	100.0
102.05544	1.2
102.96926	0.9
103.05457	2.9
105.03381	1.0
105.07014	3.6
107.04955	5.4
109.02869	2.3
110.97563	3.5
111.04394	1.7
112.07580	3.2
112.99095	0.9
113.05970	1.0
114.05512	1.7
115.03938	2.3
115.08656	1.2
116.98608	12.8
118.03217	4.3
119.01878	4.8
119.04909	3.7
120.01166	1.3
121.01629	1.0
121.06499	15.3
123.04446	1.6
127.03909	2.6
128.07054	1.9
128.98599	5.2
129.06915	1.2
129.10237	3.1
130.05002	2.1
130.06528	3.0
130.08656	5.2
130.10596	3.3
130.65256	1.2
131.00183	2.6
133.03496	1.0
133.06468	4.4
134.99648	8.2
135.04420	1.9
135.08025	1.4
137.02252	1.2
137.05957	12.1
138.05400	1.0
138.06447	1.1
139.07558	1.5
143.00108	2.4
145.01659	1.4
146.02696	94.6
146.99664	6.4
147.04395	4.5
149.05957	1.2
150.06697	1.0
151.02495	1.1
151.07518	12.1
152.04105	1.1
152.08304	1.4
153.00726	1.5
157.07542	2.1
158.04539	1.9
158.99648	8.5
161.01195	2.4
161.03351	0.9
161.04663	5.8
161.05832	1.4
165.00696	1.3
165.09085	4.7
167.85861	1.0
170.05145	2.3
173.01091	1.1
174.04425	1.8
177.00688	16.8
177.04181	1.1
178.03827	1.0
179.06972	2.3
181.55841	1.1
186.04347	2.3
186.99083	1.2
187.07520	1.9
189.00702	1.6
189.02377	1.4
191.02277	1.1
193.01740	1.3
195.01753	5.3
200.02304	2.2
201.00635	2.0
204.05482	1.4
205.00346	1.1
211.02722	1.1
213.06934	26.1
217.00188	3.3
219.01723	2.7
223.01303	2.2
225.04396	1.0
229.00191	1.5
231.02975	2.3
235.00960	5.2
235.03242	1.3
235.06013	1.8
237.02789	2.3
241.08618	1.5
253.03954	2.1
255.01689	1.5
259.04697	1.2
259.07574	25.9
259.09998	1.5
259.13263	10.1
259.16385	2.2
259.20261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
53.25672	0.9
55.01852	1.9
56.96553	29.4
57.03416	2.7
58.96160	1.4
58.99848	6.7
60.95830	2.0
61.02905	3.7
69.03405	3.2
69.40114	0.9
69.74700	7.3
70.06567	3.1
70.98104	4.8
70.99842	7.5
71.04975	1.3
71.95250	2.1
72.86435	0.9
73.02905	1.9
74.00632	1.3
77.00891	10.1
79.05478	1.6
81.03401	2.4
82.06541	1.2
82.99844	3.2
84.04472	6.1
84.08126	15.7
84.95998	2.5
85.02866	5.1
85.04838	2.8
85.08470	5.5
86.09671	1.4
88.99149	2.5
89.00868	3.6
90.07736	0.9
91.02431	4.0
91.05450	4.1
92.01268	1.2
93.07024	3.7
95.01939	1.2
95.04938	2.0
97.02859	4.6
98.21144	3.6
98.97562	29.4
100.02176	21.2
100.07673	0.9
100.99129	1.1
101.00856	22.0
103.02420	1.4
103.05426	3.4
105.07001	3.7
107.04935	4.5
109.03474	3.3
109.47948	0.9
110.97517	3.1
112.56616	1.0
115.02371	2.2
116.07028	1.2
116.98592	25.3
117.01868	1.3
118.03384	1.3
118.98209	1.5
119.01894	100.0
119.04884	1.7
120.01977	2.6
121.06492	11.8
122.03085	1.3
127.03905	1.2
128.98579	3.9
129.10208	7.6
130.10559	6.3
131.01863	4.5
131.04935	1.2
132.01909	1.1
133.02481	2.3
133.03442	38.4
133.06454	5.7
134.03523	1.2
134.06781	1.3
134.99631	13.8
135.08089	1.2
137.02940	29.4
137.05974	3.6
138.03041	1.2
138.99939	2.4
140.03406	3.9
140.98532	1.2
141.01318	1.1
142.03455	4.8
143.00092	2.4
144.87755	1.0
145.03413	1.8
146.02666	15.6
146.99594	5.9
147.01352	1.3
147.04308	1.8
149.02924	9.5
151.04489	13.4
151.07507	8.5
154.01945	1.3
156.99806	3.5
158.01215	2.1
158.04477	2.0
158.99611	6.7
161.01207	4.4
161.02930	10.4
161.05916	1.5
165.00655	2.3
165.09036	2.5
167.03976	1.7
171.01367	10.9
173.02931	2.3
175.00842	72.8
176.00980	2.2
177.00703	14.7
177.02242	1.6
179.02261	2.0
179.03941	2.2
179.06934	2.5
186.03777	1.1
189.00687	2.4
189.02406	47.2
190.02684	1.6
190.98590	3.0
191.02327	1.4
191.03917	2.4
193.00165	2.1
193.01909	32.7
194.02010	1.4
195.01733	4.1
198.02361	1.1
199.00592	1.9
199.02281	11.5
200.05580	1.1
205.00208	2.0
207.03455	3.9
212.04001	4.4
213.06853	3.1
217.00307	4.2
217.01907	82.6
218.01987	2.0
219.01726	2.8
219.03574	1.2
223.01172	1.8
231.03389	3.2
235.01266	5.0
235.03009	52.6
236.03119	1.7
240.03410	5.7
241.03235	3.9
245.01315	1.5
249.04486	3.1
251.02760	1.1
258.04663	1.6
258.99976	7.7
259.04211	48.5
259.06952	3.8
259.12961	6.9
276.97537	3.4
277.00790	13.2
277.03915	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	259.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08888	0.4
55.01864	1.6
55.05512	0.5
56.96562	5.9
57.03426	3.7
57.58863	0.4
58.99848	2.6
61.02916	2.7
67.05493	1.0
69.03422	8.1
69.75238	3.7
70.06573	1.9
70.98105	0.5
70.99834	1.1
71.01329	0.5
71.04990	1.5
73.02910	3.3
77.00901	4.1
79.05474	0.5
81.03409	3.1
81.04533	7.9
82.99852	1.7
83.00765	0.5
83.04948	0.5
84.01588	0.5
84.04514	0.5
84.08114	1.5
84.96047	0.6
85.02890	10.3
86.99350	0.6
87.04459	3.1
89.00845	1.2
91.02419	2.7
91.05483	1.1
93.07049	0.9
95.01923	1.0
95.04974	0.6
97.01403	0.5
97.02882	13.4
98.03209	0.8
98.97563	4.5
99.04427	1.2
100.07573	0.8
101.00868	18.0
101.02447	0.6
102.00973	0.9
103.00635	1.1
103.02439	1.9
103.05438	0.7
105.00353	1.6
105.02161	0.7
107.04952	0.7
109.02854	2.0
109.03518	1.1
110.01371	0.6
110.97552	0.6
112.99134	0.6
113.00851	5.6
114.05526	0.6
115.02427	5.0
115.03888	2.9
116.07021	0.6
116.98599	3.5
117.02119	0.8
117.03978	1.0
118.01105	0.7
118.03544	0.6
119.01904	100.0
120.01985	3.4
121.01628	2.7
121.03474	1.3
121.06509	3.1
122.15064	0.5
126.98746	0.7
127.02398	1.2
127.03927	2.3
127.05006	14.4
128.04218	0.5
128.98589	0.6
129.03958	1.2
131.00244	1.1
131.01888	41.2
132.01923	1.2
133.01633	1.8
133.03450	19.6
133.05028	1.3
134.03564	1.5
134.99655	2.9
135.03133	1.0
135.05045	0.9
137.02936	34.6
138.03223	0.8
139.02515	0.9
142.03494	4.7
143.01875	13.6
144.02051	1.8
144.99809	6.8
145.01620	1.2
145.03441	16.2
145.05011	1.0
146.03574	1.6
146.99612	1.3
147.01405	3.3
147.03142	1.8
147.04971	2.3
147.53947	0.5
149.01143	1.9
149.02948	16.1
150.03101	0.6
151.04509	6.8
151.07539	2.3
154.03499	2.0
155.01900	1.3
156.03644	3.1
156.04788	0.6
157.03482	4.5
158.03586	0.6
158.99648	1.3
159.01396	3.6
159.05051	1.2
160.04642	0.7
161.02936	39.2
161.55641	1.2
162.03004	2.8
162.05481	0.9
163.00841	1.5
163.02713	2.3
163.04506	8.1
165.00679	0.6
165.02402	0.7
165.09079	1.8
167.02266	1.1
167.04016	2.2
167.54469	1.1
168.05045	1.0
168.54474	1.0
168.99832	1.5
169.04411	1.7
170.56177	0.9
171.01381	1.0
172.04546	0.6
172.99248	0.9
173.01501	1.0
173.02937	9.7
173.04404	0.5
174.03206	1.2
175.00885	6.2
175.02768	1.6
175.04469	3.3
176.04599	0.7
176.06111	0.6
177.00911	1.1
177.02415	8.1
177.55086	0.9
178.04907	2.5
179.03957	2.3
179.05563	0.8
180.99854	0.6
183.04958	0.6
184.04509	2.6
185.02956	1.5
186.02934	0.8
186.05997	0.6
187.00864	5.5
187.02531	1.2
187.04472	1.4
189.00826	1.0
189.02396	7.9
189.06007	0.9
189.55612	0.9
191.00418	0.9
191.02299	1.1
191.03979	7.7
193.00349	0.7
193.01927	2.8
193.03789	1.3
195.01762	0.7
195.03493	1.2
196.99239	0.7
197.02852	0.6
199.00861	7.0
199.02609	0.9
199.04344	0.7
200.00829	0.6
200.04732	0.6
201.02408	1.3
201.06122	0.6
203.02174	0.8
203.03914	2.3
204.04236	1.9
205.01901	1.8
205.03828	1.6
207.01744	0.9
207.03430	2.3
208.99754	0.6
212.04063	1.1
215.00366	5.3
215.03960	1.1
217.01918	30.0
217.03525	1.2
218.01993	0.7
218.05823	0.6
219.03532	1.4
220.04178	0.7
221.05032	0.9
227.00360	3.8
227.03926	0.7
227.11467	0.7
229.01907	0.7
229.03979	0.6
231.03448	1.0
231.07256	0.6
233.01491	1.4
235.00693	1.2
235.02972	21.2
235.05156	1.3
235.06618	0.9
236.03329	0.5
236.06870	0.9
238.01901	1.0
240.03593	2.7
241.01866	0.7
245.01427	8.1
245.05135	0.7
246.05356	0.6
247.02913	2.4
250.05191	0.7
253.02008	0.6
254.07930	0.7
255.07256	0.7
258.04565	1.0
258.99973	1.1
259.02985	5.7
259.06546	1.8
259.13153	3.7
259.16327	0.9
259.20557	0.7
263.02493	1.2
268.03079	1.1
277.00919	1.2
277.04001	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77195	0.8
52.90361	0.8
53.03940	2.1
55.01865	3.7
55.05507	2.0
55.71954	0.9
56.05022	1.0
56.96555	19.1
57.03429	8.7
58.06590	1.6
58.99858	2.2
59.04989	1.4
61.02918	8.6
66.76692	0.8
68.98259	0.8
69.03420	23.4
69.21612	0.9
70.03757	3.0
70.06582	8.5
70.44576	3.6
70.98099	2.1
70.99858	1.3
71.01350	1.0
71.04996	4.8
72.08137	2.0
73.02913	9.2
74.06077	1.2
75.04484	1.8
77.00881	3.6
81.03404	6.5
81.04529	3.4
82.06569	2.1
82.99840	2.0
84.04481	1.5
84.08131	13.2
84.96030	1.2
85.01371	1.1
85.02895	25.9
86.03234	3.1
86.09714	1.8
87.04444	6.7
88.04787	1.1
88.99123	2.0
89.00882	1.4
91.02453	2.1
91.05463	1.1
92.01279	1.1
95.01935	1.4
97.02251	1.5
97.02875	27.8
98.03210	3.3
98.23695	0.8
98.97567	16.3
98.98165	1.6
99.04438	2.7
100.02198	1.9
100.07587	1.6
100.99143	0.9
101.00866	24.4
102.00947	3.4
103.00616	2.1
103.02420	4.7
103.05457	1.5
104.01292	1.5
105.00360	1.1
105.02133	1.7
107.04961	0.8
109.02835	5.4
110.01312	1.4
110.97574	2.7
111.02095	1.6
111.02926	1.1
112.99134	4.1
113.00856	6.4
113.01610	1.3
115.02428	8.5
115.03128	1.5
115.03941	6.6
116.02492	1.7
116.04233	1.0
116.07080	3.8
116.98605	11.6
117.02128	2.7
117.03948	1.3
118.01081	1.9
118.02857	1.3
119.01902	100.0
120.01985	12.5
121.01647	4.4
121.02425	0.9
121.03510	1.3
121.06503	2.8
123.03056	0.9
124.02851	1.0
125.01774	0.9
125.51937	1.7
126.06628	3.0
126.09222	1.0
127.02405	2.1
127.03911	5.0
127.05014	5.4
127.06995	2.3
128.02347	1.7
128.98598	5.1
129.03879	1.0
129.10263	1.9
130.08591	1.2
131.00191	3.9
131.01884	35.9
131.03488	1.5
132.00845	1.0
132.01988	3.2
132.03453	1.7
132.53555	2.2
133.01646	2.6
133.03442	30.9
133.04988	3.3
134.03601	3.8
134.99617	4.2
135.03210	3.8
135.05052	1.1
137.02928	27.5
138.03107	1.8
140.02325	3.8
141.04002	1.9
142.03539	3.5
143.00131	1.5
143.01892	11.7
144.02007	2.6
144.99820	4.1
145.01674	3.0
145.03441	20.8
145.04665	1.2
145.04961	1.5
146.02513	3.2
146.03610	10.2
146.04774	1.3
146.08075	0.9
146.52495	1.8
146.55087	1.5
146.99661	5.0
147.01407	2.2
147.03160	3.4
147.04977	7.3
148.03864	2.4
148.05138	2.9
148.54005	1.2
149.01175	4.0
149.02939	16.7
149.04785	1.9
151.04492	7.9
151.07613	1.3
152.55098	1.8
153.04053	1.3
154.03513	1.4
155.01852	3.1
155.02905	1.1
155.05536	1.2
156.02069	3.7
156.05078	1.1
157.03506	7.9
158.03566	4.4
158.99632	4.3
159.01370	4.2
159.03201	1.0
159.04993	4.4
160.05183	2.7
161.02939	34.4
161.05717	5.6
161.55627	16.7
162.03226	2.6
162.05429	10.7
163.02765	2.4
163.04553	7.7
164.03334	1.0
164.04582	2.1
165.00681	2.7
165.09128	1.2
167.02242	1.9
167.03966	1.6
168.56364	1.6
169.04485	4.1
170.03641	1.1
170.06114	2.1
170.56299	6.6
170.99762	1.6
171.01382	3.4
171.02884	0.9
171.04811	2.0
171.06184	4.6
171.56061	0.9
173.02951	15.2
174.03101	4.7
175.00887	10.5
175.02730	3.7
175.04314	5.1
176.04662	2.6
176.53505	1.5
177.01003	4.7
177.02455	4.4
177.06046	1.8
177.56917	1.9
178.04886	21.1
178.06354	2.2
178.55077	2.0
179.04037	1.6
179.05675	1.3
181.03664	1.0
182.56760	1.8
183.54318	1.0
184.04839	4.0
185.02881	4.2
186.03152	3.1
187.00856	3.9
187.02545	1.4
187.04518	3.0
189.00711	2.3
189.02441	9.3
189.06122	3.0
189.55727	2.8
191.02306	1.4
191.03970	9.2
192.04706	4.6
192.54752	4.2
193.00261	1.9
193.01915	3.8
193.03647	1.8
193.05450	2.5
195.07269	1.1
196.07353	1.3
198.02208	1.0
199.00816	6.0
199.04570	2.6
199.10828	1.0
200.10919	1.1
201.06006	1.6
203.03934	2.0
204.04196	2.7
205.00244	1.0
205.01964	2.8
206.02492	1.3
207.03362	1.8
211.04668	1.9
212.04004	1.2
215.00314	2.2
215.03981	1.2
217.00139	2.0
217.01932	27.0
217.03873	1.7
217.05539	2.2
219.01724	3.0
219.07164	1.7
220.02089	1.1
220.07367	1.4
221.05025	2.7
222.05162	2.8
227.00400	3.3
227.04048	1.7
231.07114	1.1
233.01321	1.1
235.01236	1.7
235.03015	20.6
235.05139	1.1
235.06654	1.2
236.06833	5.8
237.02815	2.8
240.03516	2.1
241.11768	1.1
245.01476	5.6
247.02917	1.2
251.04306	4.2
252.04842	1.8
253.02188	1.4
254.07751	6.1
258.99988	2.0
259.03070	5.0
259.06851	8.0
259.13110	4.8
259.16644	2.1
269.05414	1.5
277.00925	4.1
277.04074	17.9
278.04352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05507	8.3
57.03429	15.8
57.07057	2.1
65.03913	1.2
67.05497	18.5
69.07049	5.3
70.06579	1.2
70.62256	2.3
70.62641	2.1
71.04979	1.4
72.08134	2.6
76.06232	1.0
77.16824	1.3
79.05464	8.4
81.07037	13.2
83.04961	1.4
83.08591	4.6
85.06533	2.0
90.09183	1.3
91.05463	18.7
93.07030	10.6
95.04915	1.1
95.08595	11.7
95.36735	1.1
97.06530	1.2
99.08073	4.3
103.05443	2.1
105.07011	17.4
107.08636	5.4
109.06512	2.9
109.10130	4.5
111.08080	1.0
115.05457	4.1
116.06213	1.9
117.06997	33.1
119.08562	12.3
121.10162	8.1
123.08044	1.7
128.06206	6.6
129.06975	34.2
130.07777	5.3
131.08545	37.1
132.08865	1.5
133.06367	1.3
133.10130	8.3
135.08055	1.3
137.02318	1.0
141.06955	6.1
142.07761	5.2
143.08537	25.9
144.09291	1.9
145.06506	1.8
145.10095	64.0
146.10347	1.2
147.08096	1.5
147.11617	6.8
149.09579	1.9
153.06932	1.4
154.07758	2.6
155.08548	7.3
157.10101	23.9
159.11671	41.4
161.09589	3.4
161.13251	2.4
163.11197	1.7
168.09334	2.1
169.10088	14.8
170.10831	1.0
171.11674	15.0
173.09584	1.9
173.13245	16.0
175.11198	3.5
177.12709	1.3
183.11681	15.7
185.06097	1.5
185.13223	75.8
186.13724	1.3
187.11162	2.3
187.14806	1.7
189.12698	1.4
195.11678	1.3
197.13260	11.9
198.13870	1.2
199.14760	5.6
201.12682	2.4
201.16367	6.0
210.14018	1.9
211.14792	4.6
213.16307	2.4
215.14180	1.4
215.17947	1.6
229.19489	5.2
239.17915	24.5
240.17873	1.2
241.98674	1.1
244.73619	1.0
257.04779	1.2
257.08151	2.3
257.18967	100.0
257.26566	11.4
258.19321	2.9
258.27866	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52945	0.4
56.05023	2.7
56.96561	11.6
57.03430	1.0
60.95844	0.4
61.02921	4.3
69.03419	1.9
69.07077	0.9
70.06566	0.9
70.29031	1.8
70.98118	2.7
72.08161	0.7
73.02901	1.7
77.00872	0.6
81.03396	0.6
82.06575	0.7
83.00767	0.6
83.06081	0.8
84.04496	21.4
84.08132	86.4
84.96008	0.5
85.02906	2.5
85.08489	0.7
87.04478	0.6
88.99157	1.6
89.19635	0.4
91.00491	0.8
91.03950	0.6
91.05465	0.8
92.01292	1.1
94.59830	0.4
97.02869	2.0
98.03160	0.6
98.97574	6.9
99.97926	1.1
100.02186	2.9
100.99178	0.5
101.00846	1.1
101.10767	1.8
102.05516	1.2
104.01283	0.5
105.07017	1.0
106.01012	0.6
107.04951	0.9
109.02854	0.5
110.01250	0.8
110.97536	1.7
111.09181	1.6
112.05070	0.5
112.07640	0.5
116.98609	5.3
117.01817	2.6
117.98938	0.7
118.01036	1.2
119.01897	4.1
119.04984	0.5
119.99697	0.4
120.00619	0.4
123.00190	0.6
123.04417	0.4
128.00153	0.5
128.98557	2.5
129.10223	100.0
130.05008	4.6
130.10565	0.9
130.20871	0.4
131.01894	0.5
132.00719	2.8
132.50874	0.7
133.01622	0.8
133.03468	1.2
133.06479	3.0
134.99669	2.6
137.02933	0.8
137.05986	1.2
139.01469	1.0
140.03389	0.6
141.01247	1.4
142.08611	0.5
143.00142	1.3
145.03369	0.7
146.01372	0.6
146.02643	3.5
146.99658	2.6
147.04393	0.7
148.02019	3.2
148.52182	0.4
149.04390	0.8
149.10776	0.9
151.02473	0.4
151.07500	1.0
157.02560	1.8
158.99667	2.4
161.01152	2.6
161.02849	0.9
161.04636	0.5
164.02254	0.9
165.00684	1.9
167.11928	0.5
170.05170	2.3
172.94377	0.6
172.97591	1.4
173.01189	0.5
174.99242	0.6
175.00851	1.8
176.03323	0.9
177.00699	3.4
177.02316	1.0
177.04193	1.2
177.06033	0.4
179.07014	0.7
184.03094	0.4
185.02914	0.8
186.02605	0.4
189.00801	0.6
189.02417	1.5
190.95354	0.7
190.98616	2.0
191.02194	1.1
192.04594	0.5
193.00238	0.6
195.01718	0.7
195.11330	2.8
197.02109	2.0
197.52206	0.8
198.02785	0.9
199.02209	0.8
205.00182	1.3
206.02545	2.8
206.52757	1.2
207.02292	1.7
208.99702	1.1
212.52707	0.5
213.03333	1.9
213.06870	0.8
214.98691	0.5
216.03000	0.5
217.00085	1.4
217.01964	1.9
218.07004	0.6
219.01695	0.5
222.03815	0.6
223.01160	1.8
223.10788	0.5
232.96507	0.5
235.00931	2.2
235.02992	1.6
240.13443	3.6
241.11850	0.7
250.97408	0.5
253.07526	0.7
258.08612	1.3
258.14645	3.9
258.99799	0.6
259.04251	2.7
275.97754	1.3
276.07336	1.0
277.00742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05504	14.5
57.03418	2.6
57.07072	3.1
59.04996	1.2
59.68780	0.9
65.03923	0.8
67.05492	31.7
69.03401	1.2
69.07057	7.5
70.06578	2.1
71.04977	1.3
71.08613	1.1
71.61694	1.1
71.62067	1.4
72.02360	0.9
74.63605	0.9
79.05476	10.2
81.07044	12.7
83.04958	2.7
83.08604	3.0
85.06534	1.4
88.07620	2.2
91.05463	15.8
93.07033	8.4
95.04963	1.9
95.08591	14.3
97.06524	2.5
97.10162	2.3
99.08103	1.5
102.09166	1.8
103.05444	2.7
105.07014	19.6
107.04874	1.1
107.08597	6.1
109.06507	1.7
109.10137	9.5
111.04399	1.6
111.08079	1.8
111.11703	2.2
115.05420	2.0
116.06233	1.7
117.06998	20.3
117.91410	0.8
119.08560	12.8
121.10117	6.1
122.47663	1.0
125.09560	1.0
128.06203	6.1
129.06996	11.6
130.07779	6.7
131.08548	44.6
133.06506	1.4
133.10120	8.8
135.08076	1.8
135.11681	3.3
137.02324	1.9
137.09592	1.0
141.07005	4.3
142.07819	1.1
143.08540	25.9
144.09505	0.9
145.06459	2.7
145.10104	100.0
146.10522	1.2
147.04425	1.6
147.07999	1.8
147.11652	8.4
149.09583	1.4
149.13232	1.6
151.11296	1.1
153.01801	2.2
154.07806	1.3
155.08542	6.3
156.09296	2.0
157.06488	3.4
157.10107	9.8
159.08087	1.2
159.11679	16.4
161.09590	3.4
161.13245	3.2
163.13847	1.0
165.07039	1.3
168.09335	2.2
169.10107	9.8
170.10773	1.1
171.11684	18.7
173.09686	1.3
173.13226	8.1
175.11147	2.5
181.10162	1.2
183.04408	1.3
183.08044	2.0
183.11650	13.1
184.05255	1.5
185.05974	6.1
185.13274	5.6
187.11183	2.4
187.14790	3.3
195.11652	1.2
197.13240	10.2
199.14801	2.9
201.05386	1.2
201.12614	1.1
201.16397	2.1
209.61697	1.1
211.07495	1.8
211.14769	2.3
213.16367	2.9
215.18010	1.7
229.08597	1.8
229.19453	4.8
239.17921	17.6
257.04416	10.4
257.07968	7.3
257.11636	1.4
257.19003	64.2
257.22592	13.2
257.26611	16.4
258.19287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03930	1.3
54.64397	1.1
55.05289	1.2
55.05506	14.1
57.03413	1.4
57.07069	1.6
59.04971	1.1
59.45330	1.0
60.08146	1.0
60.59959	1.0
65.03925	1.4
67.05495	27.2
69.07063	6.4
69.48169	1.0
70.10865	4.6
79.05485	13.7
81.07040	15.6
83.04938	1.0
83.08611	3.7
91.05472	21.1
93.07037	8.2
95.04937	2.2
95.08594	14.7
97.06509	1.3
97.10126	1.1
98.20748	1.3
103.05411	1.1
105.07019	22.1
105.07716	1.5
107.08611	6.0
109.06508	1.6
109.10116	6.3
113.09592	1.2
115.05448	3.2
116.06233	2.8
117.06998	26.3
119.08554	11.4
121.06470	1.3
121.10141	5.1
123.11764	1.0
125.09624	1.2
128.06219	5.0
129.06984	15.0
130.07779	4.8
131.08548	42.2
133.06470	2.3
133.10118	12.4
135.07973	1.3
135.11668	2.1
137.09573	1.5
141.07008	4.8
142.07745	3.1
143.08545	20.3
145.06445	4.7
145.10103	100.0
147.08041	2.6
147.11665	10.2
154.07669	2.3
155.08566	7.2
156.09312	2.0
157.10133	12.4
159.08040	2.5
159.11684	21.7
161.09590	3.1
161.13225	3.7
163.11157	2.0
167.08479	1.6
168.09229	2.3
169.10123	13.0
171.11685	22.1
173.09737	2.2
173.13274	10.6
175.11159	2.4
175.14742	2.1
182.10959	1.7
183.11667	13.6
185.13228	3.9
187.11153	12.9
187.14786	3.2
197.13214	14.5
199.14822	2.8
201.12697	2.9
211.14816	2.5
213.16396	2.4
215.14333	2.9
219.69302	1.0
229.19498	29.3
239.17889	18.5
240.18491	1.4
257.18976	97.9
257.30414	1.2
258.19351	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.01496	1.8
55.05503	10.1
57.07063	2.1
67.05501	24.6
69.07046	7.8
70.05347	8.5
71.04978	3.8
77.03986	1.8
77.08286	2.2
79.05491	14.6
81.07043	18.4
83.08615	3.5
85.06507	5.2
87.32192	1.9
91.05466	19.6
93.07045	17.5
95.04960	4.0
95.08619	13.3
95.09100	2.2
97.06508	2.9
105.07016	33.1
107.08566	17.1
109.06484	4.7
109.10146	11.3
115.05429	5.2
117.07001	30.1
119.08572	24.0
121.10126	87.0
123.08038	5.8
128.06242	10.6
129.06989	24.2
130.07765	5.8
131.08553	54.3
133.10104	10.6
135.08035	13.4
135.11638	5.2
137.09590	5.3
141.06953	12.6
142.07738	6.6
142.33012	2.3
143.08543	39.9
144.09259	2.5
145.10109	71.9
147.11679	5.3
149.09583	7.0
153.06955	2.6
155.08525	13.6
156.09282	3.9
157.10129	25.5
159.11668	32.2
161.09552	4.2
163.11150	3.2
168.09386	2.1
169.10109	16.1
170.10878	2.2
171.11646	26.0
173.09583	3.3
173.13246	21.5
175.11093	2.8
182.10973	2.4
183.11678	31.2
185.13277	5.5
187.11180	3.9
187.14815	3.6
189.12773	3.1
191.41867	1.9
195.17473	2.3
197.13243	21.1
199.14786	30.7
201.12698	5.6
204.88159	2.6
211.14763	4.0
213.16422	10.7
215.14319	2.8
215.17896	6.5
229.19545	3.1
239.17905	30.7
257.18967	100.0
258.19269	5.1
258.27841	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	1.5
53.97947	1.0
55.05496	3.3
57.07049	1.5
67.05502	6.3
69.07069	7.0
69.55615	4.8
69.56050	4.1
71.04962	4.1
72.08122	2.0
79.05474	8.5
81.07047	7.4
83.04964	2.7
83.08585	2.8
84.42556	1.1
85.06520	4.2
90.09164	1.8
91.05455	8.9
93.07034	15.1
95.04946	3.9
95.08590	11.0
97.06558	1.5
98.21442	2.1
105.07018	30.3
107.08588	16.8
109.06504	6.7
109.10134	11.1
111.08032	1.9
115.05453	2.3
117.07012	6.5
119.08575	21.2
121.10130	77.5
122.10466	1.5
123.08060	4.5
123.11694	1.8
128.06216	2.6
129.06967	5.2
130.07707	1.6
131.08549	15.1
133.07564	1.7
133.10117	12.5
135.08035	17.6
135.11667	4.5
137.09596	6.2
141.06985	2.0
142.07758	7.6
143.08551	21.7
144.09314	3.4
145.10103	20.8
147.07988	1.4
147.11647	4.5
149.09612	6.2
151.11130	1.6
154.07730	1.5
155.08517	4.5
156.09312	4.5
157.10114	24.0
158.10869	4.7
159.07910	1.4
159.11688	19.6
161.09636	2.6
161.13249	2.6
163.11165	6.0
163.51692	1.1
167.08551	1.4
168.09302	2.7
169.10123	12.3
170.10898	2.5
171.11659	13.1
173.09547	2.5
173.13237	24.1
174.14009	3.1
175.11201	2.4
175.14719	1.4
177.12688	1.9
182.10928	1.8
183.11679	11.0
184.12456	3.5
185.13243	3.8
187.11140	7.0
187.14746	5.7
189.12685	3.0
195.11607	1.8
197.13234	10.1
199.14795	37.1
201.12700	9.7
209.13206	2.8
211.14801	2.4
212.96530	1.1
213.16342	13.1
214.17055	4.0
215.14297	2.1
215.17950	8.4
229.15894	1.6
239.17912	16.2
242.30415	1.1
242.63310	1.2
257.04596	1.4
257.18982	100.0
258.19336	3.6
258.27832	6.7
270.03644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05503	11.7
57.03417	2.7
57.07072	2.3
67.05499	40.1
69.07066	11.7
70.03522	5.9
70.03930	3.7
71.04994	4.0
79.05468	8.3
81.07050	23.5
81.68210	1.8
83.08620	3.8
85.06554	3.8
91.05465	31.0
93.07031	7.3
95.08559	9.1
105.07017	18.3
107.08569	6.1
109.10138	6.5
115.05450	5.6
116.06285	1.7
117.07005	55.0
119.08569	7.7
121.10156	7.9
128.06180	11.0
129.06990	46.3
130.07770	6.3
131.08553	93.7
133.06494	2.5
133.10118	12.6
141.06975	23.0
142.07770	9.0
143.08557	36.6
145.06456	2.2
145.10106	100.0
147.11685	3.8
149.09570	4.1
154.07742	4.8
155.08548	24.5
156.09299	3.6
157.10110	36.1
159.08014	5.1
159.11681	54.6
161.09590	3.2
167.08548	4.0
168.09354	2.9
169.10098	21.8
171.11671	58.7
173.09601	2.4
173.13242	24.7
175.11153	3.9
177.41016	2.0
181.10014	1.9
181.17154	1.8
183.08073	2.1
183.11690	46.4
185.13222	10.3
187.11124	2.4
187.14893	2.1
197.13222	31.2
199.11038	2.4
199.14767	3.1
201.12640	2.6
211.14825	8.8
213.16389	3.8
222.35941	1.6
227.17830	1.9
229.19424	4.0
239.17906	58.6
257.04395	3.7
257.08057	3.9
257.18982	75.3
257.21951	2.3
257.26620	3.3
257.30121	1.7
258.27905	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	0.9
53.64965	0.4
55.01851	0.5
55.05503	10.7
57.03411	1.9
57.07058	1.7
59.04981	1.4
65.03931	1.2
67.05495	22.4
69.07053	3.3
69.25312	3.3
69.25733	2.8
71.04975	0.8
76.03991	0.5
79.05480	5.2
81.07038	6.8
83.04948	0.7
83.08591	2.9
85.06507	0.7
90.41396	0.5
91.05470	8.8
93.07032	3.2
95.04939	0.9
95.08590	4.4
97.06533	0.6
97.10158	1.0
98.20733	0.9
103.05426	0.7
105.07011	8.0
107.08586	2.3
109.06497	0.9
109.10141	5.7
115.05447	1.7
116.06210	1.2
117.07005	9.4
119.08581	4.0
121.06447	0.5
121.10166	2.5
125.09563	0.5
128.06198	5.8
129.07001	7.1
130.07770	4.3
131.08553	23.7
133.06422	0.8
133.10115	2.9
135.08051	0.6
137.02301	0.6
141.06972	4.0
142.07762	2.2
143.08542	22.0
143.09656	1.1
144.09132	0.6
145.06424	1.6
145.10101	100.0
146.10431	2.1
147.07994	0.8
147.11707	2.3
151.90138	0.5
154.07721	0.7
155.08510	3.6
156.09341	1.0
157.10094	6.2
159.08025	0.9
159.11671	9.1
161.09628	1.9
161.13164	0.8
165.06969	0.8
167.08517	0.6
169.10098	7.6
171.11668	17.5
173.09509	0.7
173.13246	4.0
175.11188	1.4
181.10063	0.7
183.08116	0.8
183.11678	10.0
185.05852	0.6
185.13187	3.9
185.39201	0.5
187.11142	1.5
187.14868	1.1
189.12648	0.5
197.13232	7.3
198.13831	0.6
199.14799	1.3
201.12773	0.6
209.13306	0.6
211.14838	1.2
213.16420	0.7
215.14336	0.9
229.19484	1.8
239.07040	0.6
239.17931	12.1
257.04456	1.2
257.08096	2.0
257.18979	40.9
257.26682	0.9
258.19440	0.8
258.27951	1.0
272.37418	0.5
274.53195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0804
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
53.03927	0.8
55.01859	2.3
67.05508	0.8
68.99762	0.6
79.05503	0.8
81.03402	4.4
82.98462	0.5
91.05470	6.9
95.04976	0.9
95.08601	0.8
97.02867	0.9
103.05436	4.2
105.03374	0.9
107.04948	1.3
109.02878	0.5
115.05448	2.1
123.04399	0.7
126.76707	0.4
128.06183	0.7
129.06961	1.3
131.08583	0.7
137.02315	77.8
138.02654	0.7
141.06995	3.5
143.08554	0.5
145.10091	0.9
152.06163	1.4
153.06970	7.0
154.07748	1.7
155.08540	9.9
165.06982	26.7
166.07625	0.9
167.08511	0.8
168.05653	1.5
169.06425	0.8
176.06071	0.6
177.07063	1.2
181.06427	3.6
182.07233	1.6
183.08029	100.0
184.08350	2.4
185.05974	1.3
193.07684	2.9
195.07991	0.9
197.05957	0.9
211.07510	64.1
212.07870	1.9
229.08470	0.7
229.51465	0.6
239.04732	0.9
239.07014	10.6
257.04733	2.5
257.08026	8.3
257.15234	0.5
257.18985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0803
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03932	1.0
55.01857	0.5
55.05490	0.4
61.10172	0.2
65.03934	0.8
67.05497	1.1
68.99763	1.7
69.03392	0.4
69.07052	0.6
71.04977	0.3
71.60448	0.4
76.31784	0.3
79.05466	0.9
81.02946	0.6
81.03400	7.4
81.07053	1.1
90.37173	0.3
91.05464	7.6
93.07008	0.7
95.04967	1.9
95.08582	0.9
96.02084	0.8
97.02879	0.4
103.05457	0.7
103.14057	0.3
105.06999	1.4
107.04933	2.4
107.08562	0.6
109.02857	0.8
109.06489	0.6
109.10157	0.3
111.04405	1.7
115.05437	0.8
117.03359	4.0
117.06978	0.8
119.04920	14.7
119.08565	0.5
121.06497	0.8
121.10126	0.4
123.04388	3.2
125.97225	0.3
127.03886	1.1
128.06200	1.0
129.06972	0.8
131.04861	0.4
131.08536	1.0
133.06444	0.4
133.53972	0.3
135.04361	0.7
135.08047	0.3
137.02315	100.0
137.05923	8.0
138.02666	0.9
141.06966	1.2
143.08521	0.7
145.06522	0.4
145.10123	1.5
147.04384	33.1
147.11633	0.4
148.04720	0.5
151.03891	0.3
153.06979	1.1
155.03380	1.7
155.04663	0.3
155.06032	0.3
155.08530	1.6
157.06474	0.8
157.10101	0.6
159.11671	1.0
161.05937	2.9
163.03900	2.6
163.07541	1.1
165.06956	2.3
167.08531	0.3
168.05550	0.4
169.06461	1.2
171.08002	0.4
171.11707	0.4
173.05943	0.3
173.13264	0.5
175.07556	0.3
181.06332	0.4
183.08020	1.8
183.11656	0.4
184.05099	0.4
185.05942	2.3
186.06564	0.4
187.07564	1.0
189.09190	0.4
195.08028	0.6
196.05086	0.3
197.05940	1.9
197.13208	0.4
200.08588	0.4
201.09137	0.5
210.06833	0.3
211.07494	6.2
213.05432	0.3
213.09167	0.3
214.06186	0.8
215.06984	0.8
215.10782	0.6
225.05505	0.5
229.04919	0.8
229.08519	1.5
229.12148	0.5
233.59651	0.3
236.63313	0.3
239.06995	5.4
239.10559	0.5
239.17900	0.4
242.05682	2.5
257.04434	2.9
257.08047	79.2
257.11517	3.4
257.18753	1.7
257.22662	0.5
257.26672	0.5
258.08405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01858	2.4
56.96550	2.6
57.03206	0.6
57.03431	7.4
59.04996	1.0
61.02908	4.1
67.98698	0.7
69.03420	9.5
69.40663	0.6
69.60918	4.8
69.61319	1.3
70.06583	0.7
71.01342	1.3
73.02911	6.3
74.99384	0.6
75.04461	0.9
80.05003	2.2
81.03408	2.3
82.06563	1.1
84.08125	1.2
84.96013	0.8
85.02902	9.8
87.04451	4.1
95.43901	0.7
96.04478	1.8
97.02882	11.1
98.09667	0.9
98.97585	5.3
99.04448	1.0
100.07610	2.5
101.00854	1.8
103.03944	0.9
110.97549	1.3
111.13042	0.7
111.52969	0.7
115.02441	1.9
115.03906	4.8
116.98603	3.4
117.02904	0.7
119.01914	3.3
123.05511	3.2
124.03939	100.0
125.04275	0.9
127.03894	0.9
128.98572	1.3
131.00198	0.7
131.01878	1.7
131.05571	0.7
133.03461	2.3
133.04933	5.5
134.99591	0.8
138.03392	1.2
143.00096	0.9
143.01909	1.4
145.03465	2.4
146.08110	2.8
146.99661	0.9
149.06516	0.7
153.05754	3.8
153.55864	0.9
155.01808	0.7
157.03458	0.9
158.99619	0.9
161.01263	0.8
161.02927	1.1
161.06595	1.4
162.06311	1.4
168.04509	0.9
172.97617	1.1
173.02951	1.3
174.04483	1.2
175.05174	0.7
177.04158	0.6
184.05737	1.3
185.02934	1.4
189.03947	1.0
190.98599	1.0
192.04625	4.9
203.04016	1.2
207.01794	0.8
209.03058	0.7
219.01724	1.5
221.05092	2.0
233.01373	1.4
237.02826	1.7
245.05087	3.0
251.02365	1.7
251.04492	3.5
256.03082	2.7
256.11874	1.3
257.05011	1.8
269.05411	0.9
274.04099	1.8
274.97495	1.0
277.07709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
56.96545	1.0
57.03431	5.1
59.04978	0.6
61.02921	1.7
69.03418	4.2
71.01340	1.2
71.58347	0.4
73.02910	4.4
80.04996	1.5
81.03390	0.7
82.06575	1.0
85.02895	5.6
87.04450	1.4
92.68256	0.4
96.04501	0.9
97.02885	3.5
98.97551	0.9
100.07637	2.1
101.00861	0.4
103.03928	0.6
109.02895	0.8
115.03904	2.4
119.01909	1.5
123.05534	2.1
124.03939	100.0
125.04257	0.9
127.03905	0.5
131.01875	1.0
133.03415	0.4
133.04945	4.5
141.82249	0.4
145.03433	0.9
146.08145	2.4
155.01894	0.7
157.03427	0.9
161.02966	1.0
168.11221	0.5
173.02953	1.0
174.04578	0.4
182.99538	0.4
183.04968	0.3
184.05806	0.5
185.02959	1.1
191.04028	0.4
192.83623	0.4
209.02670	0.4
221.05070	0.5
245.05049	0.7
251.04582	0.4
253.07732	0.4
256.13867	0.9
269.05273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0804
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03939	0.5
55.05490	1.4
57.03425	0.6
57.07057	1.6
58.07388	0.5
67.01846	2.4
67.05232	0.4
67.05501	3.4
68.99769	1.3
69.03407	1.2
69.07037	0.8
70.06583	2.4
70.29034	1.4
70.43958	0.4
71.08604	0.7
77.03928	0.4
79.05488	3.5
81.03419	0.4
81.07042	1.6
83.01325	0.4
84.37621	0.5
85.02878	0.4
85.06451	0.4
88.07615	2.9
91.05466	4.1
93.07036	0.6
95.04966	0.8
95.08545	0.8
97.02879	0.8
98.20777	0.6
102.09176	1.7
103.05453	22.6
103.09480	0.6
105.03382	1.0
105.07018	1.8
107.04952	2.7
107.08595	1.0
109.10146	1.1
111.00784	1.0
115.05386	0.5
117.07014	2.4
119.08548	1.5
121.10161	1.3
123.04406	1.7
129.06967	1.8
131.04909	40.7
131.08554	2.9
132.05247	0.6
133.10136	0.5
135.11670	0.4
137.02277	0.7
137.05954	0.4
141.06967	0.7
143.08548	2.1
145.06468	1.1
145.10085	4.9
147.04308	0.5
147.08047	0.7
147.11676	0.8
151.03900	2.4
153.01804	93.0
154.02119	0.8
155.08531	0.9
156.05402	0.5
157.06506	0.8
157.10109	2.1
158.10971	0.5
159.11694	2.8
164.55658	0.5
165.07068	0.4
169.06415	0.5
169.10132	0.6
171.02878	2.8
171.11656	1.0
173.05972	2.9
173.13210	1.2
176.93192	0.5
179.03368	1.4
182.07251	0.5
183.08037	1.0
183.11684	1.0
185.05957	1.4
185.13206	3.2
191.06996	0.5
197.13307	1.0
199.14906	0.5
210.45831	0.4
211.07529	0.8
215.07024	1.0
229.08612	0.6
239.06880	0.8
239.17975	1.6
242.10661	0.5
256.26337	3.9
257.08051	100.0
257.18991	6.1
257.22516	1.4
257.26648	14.1
258.08359	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21073	2.1
53.03934	6.7
55.01864	5.0
55.05501	29.6
56.96548	9.5
57.03428	45.3
57.07058	6.4
57.34346	2.4
65.03906	3.5
66.02863	2.4
67.05495	86.2
67.05856	4.3
69.03424	2.8
69.07056	30.2
71.01340	4.0
71.04979	9.1
71.59280	2.8
79.05482	84.3
81.03410	10.8
81.07046	46.4
83.04971	27.6
83.08598	11.3
85.06533	7.5
85.10153	2.8
91.05469	39.0
93.07032	85.3
95.04957	10.3
95.08582	16.0
95.21660	2.6
97.06522	21.9
97.10154	15.3
98.98454	48.3
99.08081	2.2
100.98854	3.3
102.19160	2.3
105.07043	15.9
107.04958	5.7
107.08577	59.2
109.06494	3.1
109.10180	12.7
111.08049	3.6
115.05447	7.3
117.07008	13.5
119.08573	12.3
121.06474	4.8
121.10114	16.0
122.18906	2.3
123.11627	3.0
125.09589	6.3
128.06190	5.0
129.07002	7.6
131.04939	5.7
131.08557	6.7
133.06538	2.6
133.10109	9.5
135.08092	2.4
135.11670	100.0
137.09598	4.5
141.06969	5.9
142.07709	3.4
143.08522	16.3
145.10100	20.4
147.11627	3.1
148.66409	2.5
153.06996	4.6
153.12753	3.7
155.08562	5.9
157.10078	14.3
159.08089	2.8
159.11768	3.4
163.11176	9.5
165.06906	5.5
166.07762	3.2
167.08557	5.5
169.06471	2.7
169.10110	5.6
171.07974	5.7
171.11668	12.6
173.09677	4.2
179.08574	3.9
180.09402	2.2
181.06488	5.5
181.10115	6.7
181.12172	17.0
183.11644	7.8
185.09647	3.7
185.13103	3.0
195.08032	3.6
195.11707	6.0
196.12582	2.4
197.13235	5.9
199.07489	4.5
199.11205	5.3
209.09604	7.7
211.14731	2.8
212.04646	2.8
213.09044	4.2
227.03372	3.7
227.06990	6.7
227.17957	3.6
235.06184	4.3
237.02640	2.9
237.16463	11.7
244.06729	3.2
255.02899	6.1
255.06519	45.7
255.10133	15.5
255.15810	30.6
255.17668	22.3
255.21146	7.6
256.07095	5.6
271.13083	2.6
274.19452	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01853	6.0
55.05270	3.0
55.05506	34.1
56.96572	5.0
57.03431	55.5
57.07058	4.4
58.96547	2.1
63.83271	2.3
65.03924	2.8
67.05499	88.9
69.07063	31.2
69.36400	12.5
69.36836	11.3
71.01326	4.2
71.04966	9.8
79.05487	75.5
81.03404	13.0
81.07046	42.3
83.04976	29.3
83.08601	7.6
85.06532	6.0
91.05464	38.7
93.07035	97.4
95.04964	11.6
95.08575	13.9
97.06521	23.8
97.10175	14.6
98.98447	24.7
99.08096	3.6
102.13396	2.1
105.07008	11.7
107.04926	5.3
107.08579	63.3
109.10146	11.8
111.08089	3.0
115.05446	5.1
117.07008	9.1
119.08590	17.9
121.06476	5.4
121.10101	11.5
125.09589	4.8
128.06160	2.6
129.06958	3.2
131.04889	8.7
131.08559	4.4
133.10104	6.6
135.11674	100.0
137.09564	3.5
141.06969	2.5
143.08510	4.4
145.06503	3.0
145.10126	18.4
153.12718	4.2
155.08517	2.8
157.10092	7.6
159.11621	3.5
163.11162	13.0
165.06961	3.3
167.08495	3.4
171.11678	7.5
173.09630	2.6
181.10046	3.5
181.12196	16.0
183.11662	2.7
195.11671	3.2
197.13229	3.6
199.14915	2.9
209.09567	3.9
222.22746	2.1
227.06862	2.6
237.09105	5.5
237.16380	4.8
255.02766	2.5
255.06551	21.6
255.10115	14.2
255.15536	41.0
255.20242	5.0
255.21094	4.0
255.25060	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0648
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01861	0.7
58.11125	0.1
65.03919	0.6
67.05495	0.1
68.99775	0.5
69.91768	0.2
69.92180	0.5
81.03393	0.4
89.03891	0.1
91.05460	3.9
95.04982	0.1
98.98449	0.4
100.11266	0.2
100.17847	0.1
103.05445	0.1
105.03379	0.2
106.18320	0.1
109.06473	0.1
111.04404	0.3
115.05415	0.3
119.04932	1.6
121.02862	0.7
128.06197	1.4
129.07002	1.5
131.04895	0.4
131.08607	0.1
133.02821	0.8
134.03596	0.3
137.02313	10.0
141.06987	0.3
143.08536	1.0
145.02827	1.7
145.06432	0.1
149.02335	0.8
152.06197	0.9
153.06970	3.0
154.12114	0.1
155.08521	0.2
157.06464	1.8
165.07033	0.4
167.03363	0.2
168.05646	0.1
169.06458	0.3
171.08029	2.0
171.14861	0.3
175.03891	0.1
181.06448	5.7
182.07158	0.3
184.05128	0.7
185.05986	0.5
197.05919	0.7
198.06721	0.5
199.07513	14.9
200.07880	0.2
209.05679	0.6
210.06790	0.2
211.07544	0.4
212.04742	0.3
213.05496	0.2
219.22278	0.1
225.05392	0.1
226.06128	0.3
227.06985	6.1
228.07310	0.1
237.05441	3.0
255.06476	100.0
256.06848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0647
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
55.01873	0.2
56.50509	0.1
56.78611	0.1
57.74879	0.1
60.67268	0.1
65.03920	0.5
66.35789	0.1
68.99780	2.2
69.03410	0.3
71.06754	0.2
71.07104	0.3
78.63335	0.1
81.03401	0.7
91.05469	1.1
92.78040	0.1
95.01289	0.6
98.98435	0.4
109.02879	0.7
111.04420	0.8
116.64239	0.1
119.04927	4.4
121.02848	0.6
121.03886	0.2
127.03873	0.2
128.06210	0.2
131.04915	0.1
137.02315	8.6
141.06940	0.5
144.76161	0.1
145.02827	5.6
153.06981	0.4
155.03378	2.2
157.06454	0.3
169.06487	0.7
171.08035	0.4
181.06470	0.5
187.07510	0.3
196.34651	0.1
199.07535	0.4
213.05446	0.3
227.06947	0.9
228.04097	0.2
255.06482	100.0
256.06857	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70908	1.7
53.03935	6.2
55.01850	6.2
55.05503	33.5
57.03157	3.7
57.03428	51.9
57.07064	7.6
63.38097	1.9
65.03899	1.9
65.58185	1.9
67.05495	87.5
68.05832	2.1
69.03423	3.4
69.07058	25.8
69.50272	16.3
71.01351	6.5
71.04977	8.7
79.05484	83.1
81.03415	12.5
81.07045	40.3
83.04962	27.8
83.08609	9.8
85.02856	2.0
85.06541	4.0
91.05474	41.2
93.07034	84.8
95.04974	10.0
95.08598	14.9
97.02863	2.0
97.06506	24.1
97.10152	18.2
98.20759	4.4
98.98456	22.4
99.04431	2.8
99.08085	3.8
105.03353	2.5
105.07001	14.0
107.04983	4.6
107.08576	57.9
109.06535	3.8
109.10152	11.4
111.08057	4.1
115.05443	3.3
117.06997	11.1
119.08583	14.7
121.06458	2.8
121.10110	15.1
123.11703	2.8
125.09605	6.1
128.06227	6.0
129.06987	8.0
130.07814	3.0
131.08551	4.5
133.10104	12.0
134.08984	1.8
135.08093	2.1
135.11673	100.0
136.12047	2.5
137.09619	3.5
137.87903	1.6
141.07024	2.8
142.07753	3.7
143.08536	17.1
144.42679	2.0
145.10097	23.0
147.11719	1.9
153.06934	2.1
153.12677	4.5
155.08516	4.4
156.09396	2.4
157.10092	13.0
159.11705	5.1
163.11165	14.2
167.08521	3.8
169.10153	5.1
171.11699	10.9
173.09726	2.6
181.10110	4.7
181.12215	11.8
183.11694	8.9
185.09671	3.3
185.13252	4.7
191.13058	1.8
195.11644	6.0
197.13278	10.5
199.11151	3.9
199.14844	8.3
208.12424	2.0
213.12660	2.8
213.16351	3.8
227.17909	2.8
237.16454	5.6
255.06653	10.2
255.10158	7.2
255.15912	42.2
255.17836	12.4
255.21039	39.0
256.26389	9.7
258.28635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22673	1.6
53.03928	6.8
55.01862	5.3
55.05503	35.1
57.03426	56.7
57.07063	6.9
59.03734	1.7
65.03924	5.1
66.37016	1.7
67.05491	100.0
68.05819	1.8
69.03426	3.5
69.07055	34.7
69.18446	1.5
70.06589	2.5
70.25925	5.0
70.26344	2.6
71.01347	6.3
71.04977	11.0
77.03893	1.7
79.05479	85.9
81.03397	11.5
81.07043	49.4
83.04968	26.8
83.08611	11.4
85.06527	5.8
86.06760	1.7
88.07610	2.4
91.05463	36.4
93.07027	94.3
95.04951	11.5
95.08605	14.8
97.02875	2.8
97.06518	24.3
97.10153	19.7
98.98450	23.9
99.08089	4.4
105.07005	13.1
107.04945	4.7
107.08574	58.6
109.06524	4.4
109.10132	13.9
111.08072	4.7
115.05407	2.2
117.07001	12.0
119.08556	13.8
121.06514	4.1
121.10114	13.3
123.11640	1.5
125.09615	5.2
128.06187	5.5
129.06981	7.5
130.07777	2.0
131.08545	3.8
133.10123	12.3
135.08075	3.4
135.11668	97.4
136.11958	1.7
137.09619	4.6
141.07019	3.7
142.07729	3.0
143.08546	13.9
145.10091	25.0
150.23134	1.9
153.07030	2.3
153.12712	4.0
155.08548	4.0
156.09361	3.0
157.10091	11.4
159.11707	5.3
161.29941	1.9
163.11157	14.7
165.07042	2.2
167.08533	2.4
169.10109	5.6
171.11656	10.8
173.13243	2.2
181.10095	5.6
181.12177	14.5
183.11668	6.7
185.13243	5.8
195.11627	2.5
197.13260	7.7
199.11269	1.8
199.14836	4.8
211.14786	3.8
212.15746	2.0
213.12785	2.0
213.16309	3.2
227.06972	2.4
227.17744	3.5
237.16397	5.7
255.06512	12.1
255.10091	4.7
255.15907	40.3
255.17827	12.4
255.21040	33.4
256.26358	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60734	2.3
59.31784	2.8
61.02906	5.1
70.82339	9.3
71.01347	6.7
75.04471	17.2
87.04468	4.4
89.02379	3.9
90.20390	2.7
98.21288	2.8
98.98460	9.6
103.03920	22.0
131.03354	5.4
159.02878	62.6
165.30891	3.6
187.02399	3.6
219.04976	100.0
254.17172	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	254.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30376	39.3
68.34925	39.6
70.43728	67.9
70.44116	100.0
98.21336	47.9
110.85151	40.0
114.35550	33.2
168.23924	36.5
192.98811	53.1
254.97461	74.8
255.06163	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	Chrysin
Peak:m/z	Relative Intensity
53.03931	0.3
55.05504	0.9
56.96552	0.2
57.03411	0.6
67.01858	2.1
67.05496	1.1
68.99777	1.5
69.07040	0.6
71.04949	0.2
71.59188	0.3
72.01367	0.2
73.95580	0.2
79.05479	1.2
81.03381	0.3
81.07030	0.8
83.04971	0.4
83.08582	0.3
85.91089	0.2
91.05447	0.8
93.07030	1.2
95.04945	0.3
95.08568	0.5
97.02882	0.2
97.06497	0.2
97.10122	0.3
98.98448	2.4
103.05455	2.4
105.03378	1.0
105.07033	0.4
107.08593	1.1
109.10141	0.3
115.05404	0.4
117.06978	0.3
117.12428	0.2
119.08581	0.2
121.10105	0.2
128.06197	0.6
129.01797	0.5
129.03351	1.7
129.06970	0.8
131.04912	0.3
131.08525	0.5
133.10149	0.3
135.08002	0.3
135.11638	0.7
141.06975	0.3
142.07825	0.4
143.08554	1.7
145.10066	0.3
147.04375	1.5
152.06181	0.3
153.01797	8.9
153.06956	0.4
155.08531	0.3
156.09380	0.2
157.06570	0.3
157.10123	0.8
167.08572	0.2
169.10106	0.4
171.02875	1.1
171.08102	0.3
171.11598	0.2
181.06454	0.4
181.10085	0.4
185.09575	0.6
187.07510	0.4
195.11655	0.3
197.13275	0.2
199.07437	0.2
199.14812	0.3
209.05879	1.0
209.13406	0.2
211.11209	0.2
213.05498	0.4
213.12743	0.2
213.16240	0.3
227.06987	0.3
227.17921	0.2
231.06506	0.4
237.05399	0.3
237.16364	0.5
255.06482	100.0
255.17470	2.6
256.06821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
51.10602	0.7
54.62950	0.6
55.01863	1.6
55.05492	2.3
57.03416	0.9
57.07055	2.2
62.06242	0.7
67.05494	9.8
67.79475	0.7
69.03422	50.3
69.07072	3.3
71.04957	1.6
79.05492	4.8
81.03389	1.0
81.07043	11.4
83.04967	1.4
83.08605	2.5
85.06539	1.5
87.04452	0.9
91.05473	6.8
93.07045	3.8
95.04964	1.9
95.08591	6.0
97.06541	3.4
97.10161	1.2
98.98455	100.0
99.04454	0.9
100.98891	1.2
105.07021	6.3
105.54857	0.7
107.04941	0.8
107.08580	4.0
109.06512	2.9
109.10130	4.9
111.08064	1.2
116.99496	3.5
117.06976	1.0
119.08584	3.2
121.06548	1.4
121.10133	1.5
123.04386	0.6
123.08064	3.5
123.11756	1.5
129.06990	1.0
131.08539	1.4
133.10112	9.9
135.11722	0.9
137.09621	1.7
140.01120	1.6
141.05394	1.0
143.08536	1.1
147.11707	1.5
149.09619	2.5
149.13254	0.9
151.07455	1.0
151.11142	4.0
157.10118	1.4
169.10199	1.0
174.99168	2.2
176.98949	2.4
183.11739	0.9
189.16373	1.7
197.09772	0.7
197.11736	2.7
197.13307	1.2
199.14873	1.5
207.17426	1.2
211.14812	1.0
217.15891	2.6
225.14961	0.9
235.16895	11.2
253.08615	2.2
253.12128	1.2
253.14325	3.1
253.17964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	2.1
56.72535	1.7
61.02905	7.5
71.01334	7.5
75.04466	18.0
87.04447	4.1
89.02365	3.1
89.44776	1.8
98.20683	3.9
98.98432	11.7
103.03930	19.6
125.76005	2.3
131.03351	6.7
159.01654	3.8
159.02879	60.2
160.91724	1.9
187.02382	5.5
210.14873	2.9
219.04973	100.0
254.17430	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	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.03434	0.4
70.02948	0.3
70.87219	0.5
74.02429	8.3
78.66486	0.2
79.05473	1.0
81.07045	2.9
85.35349	0.2
88.03549	0.2
88.03977	15.4
91.05466	32.1
92.05818	0.3
94.04047	1.3
95.04986	0.3
98.98449	4.7
104.03413	0.3
105.03362	1.3
105.07043	0.4
107.04955	0.6
109.05099	0.3
116.03435	4.5
118.03716	0.2
119.03520	2.1
120.08101	0.7
121.02834	0.6
131.04913	0.3
134.04463	16.4
136.06163	100.0
137.04565	1.3
137.05936	0.7
146.03149	0.4
146.06004	0.3
178.05768	0.6
185.09354	0.2
206.08170	0.8
234.07744	1.1
234.13454	15.4
235.13692	0.3
252.14505	48.0
253.08626	0.3
253.14891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52855	0.2
55.05506	0.4
57.03426	0.3
57.50051	0.2
62.60551	0.2
69.74924	1.7
71.47919	0.2
74.02419	1.0
79.05481	1.0
81.07048	3.0
88.03979	2.5
91.05459	4.5
94.04050	1.1
94.99125	0.2
98.98463	2.4
105.03383	0.4
107.04948	0.5
116.03441	0.9
116.99515	0.3
119.03523	2.2
120.08083	0.6
127.90495	0.2
131.04881	0.3
134.04472	2.8
136.06165	100.0
137.04573	1.8
137.05951	0.9
146.03226	0.3
168.89658	0.2
170.83087	0.3
170.84671	0.3
205.31949	0.3
206.08064	0.3
234.11108	0.6
234.13467	16.0
252.14519	49.8
253.14853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1793
Annotation	Elongatol E
Peak:m/z	Relative Intensity
55.05497	4.8
57.07061	1.6
67.05493	7.9
69.03414	5.5
69.07050	5.5
71.04962	2.2
71.62425	1.5
79.05473	5.2
81.07047	12.1
83.04959	1.7
83.08585	2.1
85.06509	2.2
91.05446	6.7
91.34565	1.0
93.07037	11.5
95.04932	2.1
95.08593	8.8
97.02895	2.0
97.06520	4.2
97.10192	1.2
98.98457	55.3
103.05439	1.1
105.07016	11.7
106.07481	1.4
107.04901	1.6
107.08577	13.1
109.06476	3.4
109.10170	4.8
111.08047	2.9
116.99486	1.6
117.07006	3.0
119.08578	16.8
121.02853	8.6
121.06468	3.3
121.10116	7.0
123.04441	1.1
123.08070	6.9
128.06169	1.2
129.06960	2.7
131.08542	4.7
133.10103	13.9
135.08031	2.7
135.11688	7.2
137.09595	3.3
142.07732	3.0
143.08522	4.2
145.10068	5.1
147.08012	3.1
147.11693	6.1
149.09554	2.0
149.13257	3.7
151.11105	1.2
157.10112	4.7
159.11731	7.9
161.09573	7.6
161.13191	3.6
163.11125	5.0
163.14844	1.8
171.11636	1.4
173.09566	1.5
173.13197	1.8
174.99162	1.2
175.11166	8.8
175.14752	6.3
177.12729	58.9
182.07164	1.1
187.14899	2.1
189.12733	2.9
189.16373	1.8
197.11607	1.0
199.14809	4.2
204.15057	7.5
205.15849	9.8
207.13849	1.1
217.15816	8.7
235.16895	100.0
238.08598	3.2
252.10204	3.0
253.08496	4.7
253.10971	6.6
253.17947	51.8
254.17824	1.7
256.57932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03922	0.6
55.01857	1.1
55.05507	3.6
56.96535	1.3
57.03427	1.2
57.07072	0.7
58.18987	0.7
60.51667	0.6
65.69925	0.6
67.05493	15.6
69.03401	0.9
69.07062	3.8
70.04331	3.7
71.04987	1.4
79.05483	11.5
81.03397	2.7
81.06611	1.1
81.07047	13.6
83.04984	1.5
83.08601	1.6
91.05466	14.5
91.06044	0.8
91.19351	0.6
93.07030	7.5
95.04974	4.7
95.08586	7.7
97.06554	0.8
98.98452	100.0
103.05463	1.6
105.07012	10.8
107.04899	3.4
107.08578	3.7
109.06497	3.3
109.10140	3.8
113.81137	0.7
115.05432	1.1
116.99506	3.4
117.06968	4.3
119.08558	8.8
121.06482	1.9
121.10123	2.0
123.08056	1.3
124.54205	0.6
129.06970	1.5
131.08540	8.1
133.10121	2.3
135.08061	1.5
140.01033	0.9
143.08551	1.0
145.06328	0.6
145.10126	2.5
147.11681	0.9
149.09605	1.2
155.08537	1.5
159.08023	0.7
171.11691	1.6
173.13263	1.9
174.99260	2.7
182.73283	0.6
187.11270	0.8
187.14848	1.7
197.13277	1.3
205.15807	1.6
207.11769	0.7
215.14229	1.6
233.15349	8.9
241.43994	0.7
251.14265	1.2
251.16232	4.2
251.20096	2.6
269.10489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03926	2.0
55.01863	2.1
55.05498	4.8
57.03423	2.1
57.07065	2.9
59.04983	4.0
60.27002	1.0
67.05494	6.9
69.03425	4.0
69.07061	4.3
71.04984	32.2
71.65904	1.7
79.05483	6.2
80.58013	1.1
81.03391	1.7
81.07047	12.5
83.04973	5.6
83.08627	1.7
85.06543	2.6
89.03962	1.2
91.05479	8.3
93.07047	9.8
95.04964	9.3
95.08591	10.4
97.06528	7.8
98.98454	100.0
99.04439	1.4
99.08040	1.4
105.07011	13.4
107.04945	2.7
107.08585	7.9
109.06501	4.3
109.10136	8.4
111.08060	2.9
113.05989	3.7
116.99483	3.4
117.03365	4.8
117.07011	3.6
119.04894	1.2
119.08540	13.6
121.06451	5.5
121.10143	11.0
123.08060	5.0
123.11690	3.1
124.41695	1.1
125.05969	14.5
125.09573	1.4
126.15595	1.1
129.06961	1.9
131.08539	6.4
133.06464	1.4
133.10121	3.3
135.08031	1.9
135.11671	5.0
137.06001	3.3
137.09590	14.6
139.07487	1.2
143.08556	2.5
145.02834	14.0
145.06445	1.6
145.10098	12.3
147.08026	14.3
147.11694	4.6
149.05972	1.7
149.09618	5.0
149.13222	1.6
151.07535	5.1
151.14827	1.8
151.20251	1.0
157.10078	1.8
159.08083	1.5
159.11684	3.2
163.11162	25.2
163.14813	1.4
165.05632	1.2
165.06998	1.3
165.09116	2.0
173.09541	1.9
173.13303	1.2
174.99152	2.7
175.11183	4.3
177.05435	12.6
177.09047	1.3
179.14288	9.9
181.12183	8.7
187.11133	6.5
187.14824	3.2
189.12648	1.7
191.10738	2.8
191.14331	3.0
193.08667	1.8
193.12308	1.7
195.10136	2.3
197.09723	1.2
205.12216	3.4
205.15912	2.3
207.13805	3.3
215.10672	4.3
215.14342	3.1
233.11743	2.8
233.15306	16.6
251.06944	1.7
251.09052	8.5
251.12625	2.5
251.16365	34.1
252.12297	2.0
255.05482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.62256	0.9
55.01882	1.6
55.05504	3.7
57.03421	1.8
57.07050	1.1
67.05494	10.3
69.03431	4.6
69.07051	4.4
69.70877	4.4
69.71309	3.1
71.04972	6.9
79.05486	10.3
81.07043	16.5
83.04959	3.2
85.06549	2.6
89.03902	3.8
91.05473	11.6
93.07030	15.0
95.04967	8.1
95.08610	6.3
97.02866	1.5
97.06534	5.7
97.10173	1.6
98.98457	100.0
99.04458	4.6
103.05466	1.8
103.13539	1.0
105.07016	20.1
107.04941	4.2
107.08589	8.1
109.06511	11.5
109.10138	5.2
111.04448	2.6
111.08058	1.4
113.06015	1.9
115.05453	2.1
116.99500	4.3
117.03384	8.7
117.07006	6.4
119.04912	3.4
119.08568	8.5
121.02867	2.1
121.06511	6.0
121.10119	5.5
123.04356	2.3
123.08072	2.0
123.11691	1.8
125.05964	2.0
127.07595	2.3
128.06252	1.6
129.07053	2.6
130.07759	3.5
130.85794	0.9
131.04898	1.2
131.07655	1.2
131.08560	14.4
133.06476	3.4
133.10106	4.2
135.04414	1.5
135.08029	2.5
135.11659	3.4
137.05954	14.5
137.09613	3.1
139.07527	2.9
141.06963	1.3
142.07695	1.2
143.08539	3.0
144.09283	3.2
145.02846	11.7
145.06474	3.7
145.10112	28.4
146.10435	1.6
147.08014	2.7
147.11685	3.3
149.05992	1.9
149.09616	3.3
149.13243	1.7
151.07530	1.9
154.07730	2.3
155.08528	1.7
157.08627	1.1
157.10118	1.2
158.07294	2.1
159.08029	2.3
159.11694	15.6
161.09608	1.3
161.13268	1.2
162.03098	4.0
163.07524	2.0
163.11174	6.7
165.09120	2.3
169.10112	4.0
171.11691	2.4
172.08900	1.4
173.09605	9.8
173.13181	1.5
174.05385	1.1
174.99240	2.9
175.11145	2.2
175.14763	1.2
177.05452	22.5
177.12723	3.1
181.12204	2.2
187.11163	31.5
187.14708	1.7
190.07826	2.2
191.08652	2.1
191.10651	11.6
191.14191	1.3
197.09647	3.9
205.12212	12.0
205.15936	1.9
209.11641	1.3
215.10667	22.9
215.14079	1.8
215.17833	1.3
233.08218	1.2
233.11668	11.3
233.15353	4.0
233.19044	2.2
234.12035	1.3
251.06955	2.0
251.10588	5.7
251.12775	7.3
251.16451	6.7
251.20032	4.0
259.63455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01859	4.9
55.05498	2.5
56.96564	29.4
57.03426	17.4
58.99860	4.6
61.02922	29.5
65.03774	1.7
68.05016	2.5
69.03423	29.3
69.29305	15.1
69.29712	3.6
70.06585	2.5
70.98113	3.4
70.99843	1.9
71.04984	6.4
72.08156	1.9
73.02908	14.2
75.04453	2.1
77.00916	4.9
81.03411	8.9
82.01437	11.4
83.04962	2.5
84.08134	4.1
84.96027	4.8
85.02892	41.1
86.03242	2.0
86.06065	1.9
87.04475	9.3
88.99121	2.0
89.00839	2.6
91.02437	2.1
92.01274	2.5
96.02414	2.4
97.02876	33.6
98.03970	1.6
98.97574	21.0
98.98457	56.3
99.04450	4.2
100.02457	53.0
100.99165	3.0
101.00867	5.0
103.00683	1.9
103.02422	7.8
107.01820	1.7
109.02908	6.2
110.03936	4.8
110.07159	14.2
110.97565	4.1
111.02079	2.0
112.99118	4.2
115.02428	4.4
115.03926	4.5
116.98595	15.2
117.01902	2.3
118.00973	2.2
118.03503	27.3
119.01904	19.1
120.02051	2.3
121.01657	5.7
121.03425	2.5
125.04449	4.2
126.98737	8.4
127.01485	3.9
127.03926	6.6
128.98579	8.5
129.03970	4.9
131.00162	8.6
131.01888	6.2
132.00731	2.3
132.03424	3.6
133.01628	2.8
133.03421	19.4
134.99693	3.8
135.03146	3.0
139.06969	1.9
140.02319	3.0
140.04951	3.4
140.98567	2.6
141.01265	7.0
141.03030	3.4
142.96490	2.4
143.00136	3.7
143.01881	6.1
144.99814	34.8
145.01640	2.3
145.03436	6.4
145.04935	3.7
146.99632	12.7
147.01343	4.2
147.03203	3.0
147.04979	12.2
148.03822	4.2
148.04929	2.0
149.01202	13.5
149.02866	3.0
150.00471	2.8
150.01768	5.4
151.04507	4.9
152.04951	3.0
153.55939	2.5
154.98288	3.0
157.02478	8.8
158.99637	3.4
159.05000	10.2
160.00438	1.8
160.08701	3.2
161.01234	3.4
161.02910	7.2
161.05508	47.2
161.55602	11.3
162.05330	2.4
163.00897	5.6
163.02768	6.1
163.04404	9.5
165.00728	3.2
165.06065	3.5
167.02280	3.6
168.01434	15.2
168.54610	1.9
170.04744	3.4
170.06038	31.7
170.56148	6.2
170.99690	3.2
171.01331	4.2
171.05028	4.8
172.97821	3.7
172.99298	37.3
173.02936	3.4
174.99269	2.7
175.00830	2.1
176.06209	3.4
176.93552	2.0
177.00714	5.6
177.02454	8.9
177.05991	9.3
177.99817	4.2
181.56836	5.5
185.02882	3.2
186.02505	2.0
187.00899	4.9
187.02820	1.7
187.04401	3.3
188.97093	4.3
189.00764	4.2
189.02361	2.4
189.06075	2.7
190.98662	4.4
191.00345	27.9
191.02026	3.8
191.03925	3.3
192.04633	3.4
193.00227	4.2
195.07140	5.1
196.00896	100.0
197.00984	2.8
199.01578	1.8
203.02226	2.0
205.00203	3.7
205.01913	9.3
205.03561	2.5
205.10773	4.8
206.02513	2.5
207.01826	2.2
210.02780	2.0
212.04509	2.2
213.06184	2.1
214.01924	49.3
219.02003	7.1
219.07097	27.1
220.07213	2.9
223.01169	2.1
228.03482	38.5
231.07054	3.2
237.02843	7.3
244.99565	2.1
246.04652	4.2
251.04407	16.8
251.11519	10.1
253.29858	1.8
269.05350	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	251.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05491	2.3
56.96559	53.1
57.03425	11.1
57.07053	1.8
57.97335	1.2
58.99865	2.0
60.95826	3.8
61.02923	16.5
67.05493	1.2
68.05009	2.2
69.03428	7.6
70.06570	5.1
70.98108	7.2
71.04986	2.5
71.30214	3.0
71.95251	3.3
72.08144	3.8
73.02898	7.3
74.06066	3.1
74.97629	1.5
77.00897	1.6
79.05489	1.5
81.03407	4.2
81.07057	2.1
82.01434	3.6
82.06569	3.1
83.04942	1.6
84.04480	2.2
84.08128	6.2
84.96018	10.4
85.02892	12.9
85.06548	1.7
86.09683	3.2
88.99145	3.8
89.00785	1.4
91.00573	1.4
91.02446	1.4
91.05441	2.2
97.02886	9.2
97.06438	1.6
97.96782	3.1
98.03197	2.2
98.97575	37.3
98.98447	100.0
99.04417	2.5
100.02464	18.8
100.99084	1.5
101.00816	2.2
102.96986	1.7
104.01296	1.8
105.00338	2.4
105.02033	1.3
105.07024	1.6
105.96302	1.7
106.00986	1.6
107.00213	1.3
107.04929	6.9
108.05235	1.5
109.02869	3.2
110.07161	8.5
110.97581	6.3
111.00319	1.3
112.07560	2.4
112.99100	1.6
115.00713	1.8
115.03893	1.2
115.97809	1.7
116.98624	27.8
116.99445	3.2
117.01998	1.4
118.01052	1.5
118.03509	12.9
119.00157	1.7
119.01885	8.2
121.01639	4.0
121.06507	1.8
122.07134	1.3
123.04414	1.6
124.95483	2.0
124.99119	1.9
125.01830	1.5
126.02578	1.6
127.03956	2.3
128.98621	10.6
130.99275	1.3
131.00150	6.0
131.01857	4.0
132.00757	1.8
133.01645	2.0
133.03424	2.3
133.06464	2.2
134.05943	1.9
134.99632	15.0
136.06148	4.0
136.07549	1.9
137.02901	2.3
138.98875	2.0
139.01566	2.4
140.00076	1.5
141.01244	2.1
142.96581	2.1
143.00076	6.1
144.99780	11.3
145.01660	2.0
145.03427	2.9
146.99631	10.6
147.00661	1.4
147.01207	1.6
147.04285	1.5
148.02042	2.6
149.01178	4.4
149.04701	1.2
149.53682	2.1
150.01755	4.1
150.98933	2.6
151.07497	2.1
153.00630	1.6
154.03770	1.4
155.00165	1.6
157.01457	1.3
157.02591	12.0
157.52682	1.6
158.01060	1.5
158.99672	5.3
160.08652	3.1
161.01201	10.8
161.02866	1.5
162.99161	2.8
163.00850	1.2
163.02695	2.0
163.04391	2.6
165.00656	5.1
165.04248	1.2
168.01486	6.0
170.05107	3.6
170.99625	4.2
171.01276	1.4
172.97745	2.0
172.99309	11.8
173.01233	4.0
173.02855	2.2
174.99170	5.7
175.00658	1.4
175.02696	2.6
177.00691	6.5
177.02408	5.0
177.04086	1.9
177.05565	1.9
179.02248	3.0
181.03645	2.3
181.56062	1.4
181.60156	1.5
183.02031	2.0
184.02876	1.5
184.04539	1.5
185.02953	1.6
186.03023	2.7
186.96788	1.9
186.99272	1.7
187.00911	3.0
187.04491	2.0
188.97025	1.7
189.00673	4.0
190.01241	1.8
190.53252	2.7
190.98592	6.6
191.00354	8.7
191.02219	5.2
192.04588	2.3
193.00224	2.4
196.00891	33.9
199.04570	1.4
199.53642	1.6
201.00644	2.7
203.04117	1.9
205.00105	3.3
205.01884	4.4
205.10837	3.8
206.98003	2.2
207.01755	2.0
208.99600	3.0
209.01407	1.9
209.03271	3.2
209.06586	3.5
214.01950	15.1
218.98152	5.1
219.01968	5.3
220.03549	1.4
221.03156	1.6
225.54277	2.3
227.00616	1.5
227.04172	1.5
228.03513	17.4
228.07202	2.6
233.03331	5.0
236.99152	2.8
237.02776	10.9
242.03276	1.5
246.04646	2.6
251.00670	3.5
251.04320	26.4
251.09694	1.4
251.11229	9.2
251.13821	2.4
269.05392	28.3
274.05917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03724	0.9
53.03939	6.3
54.01052	1.0
54.38609	0.8
55.05499	4.8
58.26241	0.8
65.03915	2.4
67.05492	31.0
69.03420	1.1
69.07053	5.3
70.91195	1.2
70.91533	1.9
73.06528	1.0
75.60471	0.8
79.05482	57.1
81.03410	1.2
81.07042	15.7
83.04967	1.2
83.08629	1.9
85.06541	3.5
91.05470	45.2
93.07030	100.0
94.07369	1.1
95.04956	12.9
95.08592	11.1
97.06535	1.4
97.10156	1.2
99.08067	1.4
105.04485	2.4
105.07014	11.7
107.04918	1.2
107.08577	27.7
109.06519	2.1
109.10155	3.7
117.07006	5.1
119.08564	15.6
121.06535	2.2
121.10123	45.0
129.07014	2.7
131.08549	6.4
133.10107	19.3
135.08020	5.4
135.11656	9.3
137.09612	2.5
143.08543	2.3
145.10130	3.3
147.11699	2.3
149.09656	2.1
150.09906	1.5
151.11148	3.0
157.10124	3.3
161.09590	1.7
167.10646	1.3
171.11700	2.0
173.13258	2.7
175.11128	1.0
175.14777	7.6
189.12823	1.4
189.16365	5.1
199.14769	10.7
217.15872	9.1
249.14719	1.3
249.16039	1.6
249.18468	18.1
249.21101	1.5
255.77370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03927	2.8
55.01852	3.8
55.05505	28.0
56.87058	0.8
57.03424	1.4
57.07042	1.9
65.03907	0.8
67.05145	1.2
67.05497	21.5
69.03407	2.1
69.07062	8.2
69.28551	6.7
69.28976	3.7
71.04967	2.8
79.05482	49.8
81.03395	1.3
81.07045	20.3
81.37581	0.8
83.04948	2.9
83.08604	5.8
85.06528	1.0
91.05466	15.9
93.07033	32.0
93.86156	0.9
95.04953	5.3
95.08597	12.7
97.06510	1.6
97.10159	6.7
98.20728	1.6
103.05460	1.3
105.07013	13.7
107.04942	47.5
107.08581	19.8
109.06491	3.1
109.10130	9.5
111.08076	1.5
115.05473	1.4
117.06998	6.5
119.08579	9.7
121.06484	4.3
121.10128	18.8
123.08048	2.4
123.11663	3.1
125.09605	2.8
128.06223	1.0
129.06947	1.3
131.08560	11.8
133.10118	6.6
135.08009	1.4
135.11667	9.6
137.09605	1.4
143.08517	3.1
145.10117	6.2
147.04404	1.4
147.11697	4.0
149.09596	100.0
149.13240	4.1
150.09848	1.1
151.11182	2.4
153.12799	1.2
159.11653	4.9
161.13240	2.5
163.11191	4.1
163.14737	2.2
165.12733	1.4
168.09343	0.9
173.09589	1.3
173.13194	4.5
175.03860	3.7
175.14719	0.8
177.12688	2.9
177.16397	0.9
183.11621	1.6
187.07436	1.4
187.11122	2.8
187.14795	3.1
189.09085	2.3
189.16315	1.6
191.14224	1.3
201.12749	2.4
201.16350	1.6
205.15897	1.0
229.08629	1.9
229.12233	4.8
229.19455	7.1
230.12157	0.9
247.09602	3.7
247.13376	2.9
247.16603	2.6
247.20552	86.6
248.20976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11140	0.5
56.96545	1.9
58.99861	0.9
69.26761	0.5
70.19789	1.9
70.99854	0.7
77.00910	0.8
82.99842	2.0
84.96017	0.7
86.99326	0.6
89.00859	0.7
98.97562	1.6
100.69180	0.5
101.00867	33.3
103.02453	1.0
105.00414	0.5
113.00870	1.7
115.02412	1.2
116.98621	0.7
119.01906	100.0
120.01981	2.0
127.02409	1.2
131.01897	9.4
131.52065	0.5
134.99741	0.6
137.02940	18.8
142.03477	1.9
143.01875	18.1
144.02014	0.6
145.03442	6.4
147.01353	0.8
149.02934	2.3
155.01808	0.6
157.03433	1.9
159.01360	8.6
161.02937	63.8
162.03046	1.6
162.60724	0.5
163.04503	1.3
171.00043	0.6
171.01402	2.1
173.02951	5.5
175.04451	1.3
177.02423	23.5
177.79507	0.5
179.04013	2.4
184.04568	1.9
185.03027	0.6
189.00696	1.0
189.02414	18.5
191.03999	14.1
191.05737	0.9
195.03564	1.2
200.04077	0.6
201.02480	3.2
203.03949	1.0
207.03465	8.4
212.04144	1.0
219.03491	3.7
231.03502	1.8
249.01927	0.8
249.04532	16.1
250.04655	0.7
252.82106	0.5
267.05545	1.4
269.26120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11140	0.5
56.96545	1.9
58.99861	0.9
69.26761	0.5
70.19789	1.9
70.99854	0.7
77.00910	0.8
82.99842	2.0
84.96017	0.7
86.99326	0.6
89.00859	0.7
98.97562	1.6
100.69180	0.5
101.00867	33.3
103.02453	1.0
105.00414	0.5
113.00870	1.7
115.02412	1.2
116.98621	0.7
119.01906	100.0
120.01981	2.0
127.02409	1.2
131.01897	9.4
131.52065	0.5
134.99741	0.6
137.02940	18.8
142.03477	1.9
143.01875	18.1
144.02014	0.6
145.03442	6.4
147.01353	0.8
149.02934	2.3
155.01808	0.6
157.03433	1.9
159.01360	8.6
161.02937	63.8
162.03046	1.6
162.60724	0.5
163.04503	1.3
171.00043	0.6
171.01402	2.1
173.02951	5.5
175.04451	1.3
177.02423	23.5
177.79507	0.5
179.04013	2.4
184.04568	1.9
185.03027	0.6
189.00696	1.0
189.02414	18.5
191.03999	14.1
191.05737	0.9
195.03564	1.2
200.04077	0.6
201.02480	3.2
203.03949	1.0
207.03465	8.4
212.04144	1.0
219.03491	3.7
231.03502	1.8
249.01927	0.8
249.04532	16.1
250.04655	0.7
252.82106	0.5
267.05545	1.4
269.26120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01853	1.3
55.05489	0.9
57.03421	1.3
62.03912	0.7
64.10007	0.6
67.05486	2.3
69.03407	2.4
69.07050	0.7
70.07625	2.8
70.08038	1.1
71.04986	0.7
79.05479	2.7
81.03388	1.7
81.07034	1.8
83.04943	0.8
85.02893	0.9
91.05463	11.0
93.07014	3.1
95.04940	1.3
95.08588	1.4
97.02856	2.2
97.06501	1.4
98.97566	0.7
103.05453	1.4
105.07008	5.4
107.04916	3.6
107.08553	2.3
109.06499	1.1
109.10119	1.0
115.05426	6.0
115.19231	0.7
116.06226	4.8
117.06990	4.1
119.04943	1.0
119.08547	2.0
119.78386	0.6
121.06490	1.3
121.10098	2.8
123.04421	0.8
128.06195	10.2
128.15630	0.7
129.06985	21.7
130.07756	1.0
131.04906	3.1
131.08545	19.2
131.09467	1.3
132.05708	0.8
133.06499	3.7
133.10086	3.0
135.04384	2.3
136.60121	0.8
137.05963	2.4
139.05322	0.8
141.06963	10.8
142.07771	4.8
142.88379	0.7
143.04892	1.4
143.08553	5.3
144.05684	9.6
145.06488	6.2
145.10100	1.1
146.03705	0.7
146.07243	3.6
147.04359	2.2
147.07997	1.5
153.06999	2.5
155.06042	1.2
156.05678	2.2
157.06483	10.6
157.10127	1.4
158.07269	3.2
159.04375	1.0
159.08032	29.6
159.11748	0.8
160.05157	1.7
161.05959	5.5
161.09607	8.8
167.07031	1.8
169.06401	1.6
169.07695	3.3
170.07234	7.7
171.04463	1.5
171.08026	8.4
171.11588	0.8
172.05179	3.2
173.05989	3.9
174.06792	3.2
175.03912	0.7
175.07497	3.1
175.11191	1.0
178.06281	1.1
185.05930	1.3
185.09570	1.1
186.06807	1.1
187.07520	20.9
188.08261	0.7
189.05449	4.9
189.09071	11.2
189.16216	0.8
190.06165	1.6
191.06972	1.1
193.08632	0.9
198.06757	2.2
199.07524	2.2
201.05479	1.6
203.07016	8.1
203.10561	0.8
203.14285	0.8
204.07794	16.2
205.08554	2.1
206.09306	1.3
216.07805	3.7
218.09372	1.5
219.10056	1.2
221.08018	0.9
221.11752	3.5
231.10104	7.4
231.13844	2.1
231.17422	0.8
249.07571	3.3
249.11191	100.0
249.15100	3.1
249.18213	1.6
249.43202	0.7
250.11559	1.5
266.52057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03925	5.1
55.01844	5.4
55.05503	21.3
55.37557	1.2
57.03424	3.0
57.07055	5.2
63.03780	1.2
65.03919	1.8
67.05492	27.2
69.03426	2.5
69.07056	17.1
71.04984	2.2
71.58437	2.5
79.05041	2.0
79.05482	30.6
80.35162	1.1
81.03432	1.5
81.07046	39.5
83.04976	6.1
83.08598	5.8
85.06525	1.6
91.05472	26.4
92.29889	1.2
93.06445	2.5
93.07028	46.9
95.04954	14.0
95.08038	1.7
95.08598	23.7
97.06509	5.6
97.10131	4.3
98.98452	3.0
103.05405	2.1
104.64570	1.1
105.07029	20.7
107.04941	11.1
107.08583	30.7
108.63860	1.5
109.06487	10.1
109.10130	10.4
111.08065	2.5
115.05405	1.2
117.07014	8.5
119.04951	1.3
119.08575	16.4
121.06467	9.4
121.10117	21.0
123.08038	5.0
123.11705	6.5
128.06195	1.5
129.07022	2.0
131.08554	15.6
133.10123	14.2
135.08031	6.8
135.11662	14.0
137.09579	4.3
143.08572	4.1
145.10092	13.4
147.04393	2.9
147.07991	1.6
147.11673	9.8
149.09608	6.8
149.13219	10.4
151.11150	5.0
157.10129	1.7
159.11681	10.8
161.13223	4.9
163.11189	9.1
163.14789	2.1
165.12764	3.3
173.13269	9.3
175.03870	8.8
175.11082	1.6
175.14861	2.1
177.12730	3.0
183.11687	2.3
187.11139	5.2
187.14799	3.8
188.89050	1.3
189.09128	2.0
189.16295	1.6
191.06996	1.4
191.14278	3.3
201.12730	4.3
201.16425	1.9
203.17935	1.4
205.15840	3.7
219.21147	1.4
229.12173	6.5
229.15965	1.5
229.19479	12.7
247.05968	3.5
247.09666	4.9
247.13347	6.4
247.16856	7.7
247.20547	100.0
248.07082	4.3
248.20593	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03933	4.0
55.01877	1.2
55.05487	3.3
61.67364	0.9
65.03918	3.5
65.49911	1.4
67.05495	5.6
69.03419	17.7
69.07050	1.2
72.05956	1.0
79.05492	7.8
81.07043	9.1
83.04967	20.7
91.05464	15.4
93.03363	5.4
93.07033	12.7
93.72673	1.1
95.04961	6.2
95.08582	2.3
97.02876	8.6
97.06510	1.2
98.21545	2.1
105.07020	13.4
107.04936	2.1
107.08569	12.9
109.02882	10.7
109.06503	10.7
109.10126	3.0
111.04420	4.9
115.05428	4.3
116.06261	1.4
117.07009	9.9
119.08572	16.6
121.02818	3.2
121.06489	14.3
121.10137	7.2
122.07226	1.2
123.08015	3.0
125.05920	1.9
128.06169	3.6
129.06956	6.6
130.07715	2.4
131.08553	16.6
132.05635	2.7
132.08943	1.2
133.06480	1.6
133.10126	9.9
135.07056	2.0
135.08035	28.7
135.09070	1.4
137.05959	4.6
137.09590	3.8
141.06999	2.3
142.07849	2.1
143.08543	13.6
144.09338	8.0
145.06441	11.4
145.10120	13.1
147.08028	4.3
149.05978	2.2
149.09607	24.7
149.10808	1.4
150.10336	3.4
151.11107	3.8
153.07039	2.3
153.09071	1.7
154.07747	2.1
155.08528	6.0
156.09230	1.4
157.06398	1.6
157.10118	3.5
158.07181	1.9
158.10910	11.3
159.08034	12.7
159.11667	25.5
160.08801	3.7
161.09596	5.5
163.03828	1.1
163.07515	21.2
163.11169	3.1
165.09134	1.4
168.09367	5.8
169.10054	4.3
170.10884	4.7
171.08044	8.7
171.11761	1.5
172.08844	16.4
173.09602	29.5
173.13237	30.0
175.03903	1.4
175.07541	1.7
178.07788	1.7
181.06435	2.8
183.11652	8.4
185.13115	1.2
186.10388	23.0
187.11160	100.0
188.11548	2.0
189.09071	3.2
191.07011	37.1
192.07428	1.4
193.10104	1.8
196.08800	5.2
201.12717	54.2
202.13019	2.5
203.10637	1.4
203.14340	1.7
205.12181	6.6
211.11140	11.2
214.09906	3.8
219.13753	6.1
229.12206	58.7
230.12346	1.3
247.13272	80.8
248.13614	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03903	7.4
53.48658	2.1
55.01842	5.9
55.05501	12.7
56.96540	2.6
57.03403	4.2
64.96694	2.3
65.03899	6.5
67.05156	2.7
67.05489	37.3
69.03423	19.5
69.07024	8.9
70.06535	2.1
71.04948	6.5
71.57961	4.0
72.08107	4.5
77.03881	2.5
79.05478	38.2
81.03368	2.2
81.07047	37.0
83.04958	18.1
85.02862	3.2
85.06497	3.3
86.09641	8.0
87.09995	4.5
91.04960	3.3
91.05462	48.4
92.84644	2.2
93.07031	68.4
95.04947	57.7
95.08594	19.0
97.02827	10.0
97.06459	9.9
99.04425	2.4
103.05405	7.7
105.04485	3.7
105.07014	100.0
107.04884	8.5
107.08582	26.9
109.02841	3.8
109.06504	36.5
109.10089	5.5
111.04430	27.9
111.08014	7.6
115.05434	12.8
116.06187	4.6
117.06285	2.4
117.06992	23.9
119.04861	6.5
119.08568	60.9
121.06487	40.1
121.10120	14.2
123.04352	8.9
123.08060	15.4
125.05921	3.8
128.06213	16.6
128.70416	2.0
129.06985	28.8
130.07796	10.8
131.04916	4.7
131.08545	64.6
131.10054	3.2
133.06488	10.7
133.10103	27.8
135.04341	6.4
135.08022	13.0
135.11662	3.5
137.05965	16.9
137.09515	4.5
139.07436	4.4
141.06973	18.3
142.07776	16.6
143.08545	46.0
144.05635	6.9
144.09323	13.5
145.05531	2.2
145.06470	22.3
145.10098	74.0
146.07141	7.4
147.04404	11.7
147.08046	17.2
147.11575	6.3
149.05864	8.8
149.09521	6.2
151.07431	8.7
153.06868	9.7
154.07622	4.2
155.08534	17.3
156.09219	7.0
157.06384	8.6
157.10097	22.5
158.07233	27.8
158.10846	5.3
159.08037	55.6
159.11668	40.6
161.05977	10.3
161.09589	50.5
161.13156	3.4
162.11380	3.5
163.03896	11.8
163.07509	16.0
165.09084	4.6
167.08470	3.4
168.09364	13.0
169.10016	7.8
170.10934	2.6
171.08052	17.3
171.11578	6.3
172.08800	33.2
173.05853	6.7
173.09596	19.7
173.11890	2.9
173.13217	34.8
174.06642	3.0
175.03873	13.1
175.07536	4.6
175.11032	4.6
175.14687	7.0
176.04475	2.4
177.09074	12.9
177.12636	2.4
178.07578	2.5
178.09789	4.6
181.06363	6.1
183.11641	26.0
185.09508	4.5
185.13071	4.4
186.10255	5.0
187.07442	9.7
187.11133	44.1
189.09084	34.1
191.03290	3.2
191.06958	4.0
191.10564	4.0
193.10036	5.4
193.15733	3.2
196.08755	14.6
199.07285	2.5
199.11035	9.3
201.05408	3.2
201.08969	8.5
201.12703	44.4
205.12199	12.4
211.11151	30.4
211.15033	3.1
217.12090	9.9
219.06348	5.2
219.13739	27.5
229.08443	7.6
229.12157	49.2
240.91898	2.5
247.02258	3.1
247.05902	10.7
247.09476	10.1
247.13161	95.9
247.17110	4.3
265.06848	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	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02481	1.0
56.96561	5.1
57.03419	1.1
57.10923	1.0
61.02913	2.5
69.03420	2.2
69.77714	6.1
70.99806	1.2
71.40882	1.1
72.08132	1.9
81.03419	1.6
84.08138	2.4
85.02869	1.8
86.09704	2.7
88.03967	2.3
97.02884	2.5
97.08576	1.1
98.21397	1.3
98.97570	2.0
101.00866	11.0
103.00646	2.4
104.10767	1.2
116.98627	1.5
119.01902	30.4
120.01936	1.2
121.01671	6.0
127.03882	1.5
131.01855	1.6
132.10185	1.2
133.01683	1.7
133.03464	4.6
137.02946	7.9
143.01901	2.1
144.99864	3.1
147.03180	2.7
149.02806	1.1
157.01642	3.0
157.03436	1.2
161.02930	4.5
163.02699	2.8
167.03134	1.5
168.99811	2.8
173.02911	1.6
175.02623	1.9
185.02925	1.3
187.00873	8.9
187.02660	5.5
187.04398	1.3
191.04005	1.6
196.99341	2.3
199.02806	1.3
201.02409	2.6
201.12543	1.7
205.01973	1.4
205.03709	1.6
215.00378	9.7
223.01208	1.7
229.03185	32.0
229.12332	1.5
247.04254	100.0
265.04224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
56.96557	100.0
57.03423	3.7
58.06591	0.8
58.99874	0.6
60.99632	0.6
61.02908	1.5
67.05495	0.6
69.03425	6.1
69.07058	1.0
70.06580	1.4
70.98108	11.6
71.04980	1.7
71.95239	1.0
72.08147	4.4
73.02908	1.8
74.97591	6.3
77.00905	0.5
81.03401	3.3
82.06577	1.2
83.04966	0.7
84.04493	2.0
84.08131	3.5
84.96021	6.2
84.99605	0.5
85.02897	4.8
85.04028	0.7
85.08466	0.8
86.03650	0.8
86.09696	8.4
86.97575	1.6
87.04469	1.9
88.03982	1.4
88.99146	8.1
92.98637	0.9
94.06551	1.1
97.02876	5.6
97.99165	0.8
98.20679	1.2
98.97565	7.2
99.04449	0.6
100.05292	0.5
100.07607	3.5
100.99118	6.7
101.00864	5.0
101.07946	0.9
102.05512	0.8
102.97045	1.1
103.00605	4.9
103.02434	2.0
104.10728	17.7
105.00397	0.5
107.00169	3.4
108.96228	0.5
109.02862	2.8
110.97556	3.9
112.07596	2.0
112.95476	0.7
113.06011	0.6
113.10760	0.6
115.00599	0.9
115.02415	1.7
115.03883	0.7
116.07088	0.8
116.98611	6.6
118.08651	0.9
119.00179	6.5
119.01907	20.3
120.01994	1.4
120.97983	0.6
121.01652	14.9
121.02518	0.8
121.03449	1.1
123.14809	0.6
127.02378	0.6
127.03896	1.5
128.98587	7.6
129.02174	1.2
129.03938	0.9
130.08612	2.0
130.96524	2.7
131.01860	3.4
132.10161	0.9
133.01672	6.3
133.03418	6.9
134.03616	0.6
134.99648	5.3
135.03159	1.0
137.01198	1.4
137.02916	5.0
139.02663	2.9
142.03552	0.8
143.00131	1.0
143.01857	2.3
144.03386	0.9
144.98065	17.2
144.99815	0.9
145.01607	2.5
145.03413	4.0
146.08015	0.6
146.99620	9.0
147.03259	6.0
147.04999	1.0
148.97557	3.9
149.01164	1.7
149.02956	0.8
151.02715	1.4
151.04457	2.3
155.00183	1.2
155.01810	1.2
156.98039	0.7
157.01569	4.0
157.03413	2.2
158.54605	0.6
158.99635	1.4
159.03131	3.5
159.05119	0.9
161.01201	2.8
161.02925	7.4
162.99124	36.1
163.02699	4.0
163.04480	0.6
165.00702	3.6
165.04271	1.6
166.04721	0.9
166.08600	0.6
166.98596	2.0
168.02602	0.8
168.99805	1.2
169.01654	1.9
169.03436	0.7
171.03133	0.7
171.04988	0.6
172.04697	0.7
173.01457	1.1
173.02966	2.4
173.04561	0.9
174.99117	1.6
175.02687	5.6
175.04312	1.6
177.00684	2.4
177.04311	3.3
177.05739	0.6
179.02196	1.9
181.00172	15.2
181.01570	0.8
181.03709	0.6
181.05258	1.3
183.01738	0.6
183.11517	0.7
185.02942	3.1
186.00665	1.8
186.99155	2.2
187.00876	3.6
187.02698	13.4
187.04485	2.5
187.05994	0.7
187.11035	0.6
188.06062	1.1
188.07629	0.9
188.12766	0.8
189.02505	0.5
189.04303	1.7
189.06003	0.5
191.02174	0.8
191.03836	1.1
193.00165	1.0
194.04276	0.6
197.02879	0.5
197.06567	1.1
198.06094	0.7
199.01147	1.7
199.02731	3.8
199.04393	0.7
199.06244	0.6
201.00664	4.6
201.02449	2.6
201.12447	1.2
203.03931	1.7
204.01714	1.0
205.00179	26.0
205.03618	4.6
205.05487	1.1
206.07100	3.1
212.07547	2.3
215.00322	3.9
215.07573	2.0
217.03705	1.8
217.05554	5.3
217.57864	1.0
219.01724	2.0
219.05283	0.9
221.05095	1.0
223.01227	56.2
223.04793	3.3
224.04070	1.2
228.01764	2.4
229.03258	4.6
229.12106	1.2
229.17633	0.7
235.06590	1.3
241.02274	7.4
245.04996	0.8
246.02824	3.6
247.04300	20.2
247.06537	2.0
247.08369	1.5
247.13298	1.6
247.16415	1.5
248.14818	1.5
265.02133	1.3
265.05460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
56.96557	100.0
57.03420	0.8
61.02908	1.3
69.03434	1.7
70.06043	2.8
70.06628	0.8
70.98111	25.4
71.04967	0.6
71.26640	0.6
71.95249	1.3
72.08167	0.6
73.02905	0.8
74.97591	8.3
74.97942	0.7
81.03412	0.5
81.07058	1.2
82.40923	0.5
84.04512	0.8
84.08147	1.8
84.96016	5.5
85.02905	1.6
86.09686	2.9
86.97588	1.8
88.99151	24.4
91.05489	1.4
92.98638	1.5
93.07043	0.8
94.51548	0.6
97.02903	1.4
97.99194	1.9
98.97570	10.1
100.07645	0.7
100.99119	6.4
103.03931	0.6
105.07023	1.0
107.00175	7.3
110.97587	3.8
112.07595	1.2
112.95556	0.8
114.05593	0.9
114.62225	0.6
116.98600	7.8
118.01030	0.6
119.00180	6.0
119.01909	1.4
120.00701	0.7
125.01225	0.7
126.97074	1.1
128.06245	1.1
128.98589	13.4
130.08609	1.3
130.96571	1.7
131.08517	1.0
133.01744	2.7
134.99664	5.5
136.23546	0.6
137.06024	1.6
143.00095	0.6
143.08568	1.0
144.98058	18.1
144.99101	1.1
145.01727	0.8
145.06482	0.6
145.10123	0.6
146.99625	34.6
147.03316	1.4
147.04413	0.9
148.96548	0.6
148.97530	3.3
150.01965	0.7
150.99196	0.6
151.02843	0.8
153.00703	0.8
158.08101	1.1
158.99707	1.7
159.03247	0.6
159.05397	0.5
159.08099	0.9
161.01213	3.4
162.99127	30.1
163.02771	1.1
165.00697	48.5
166.98662	2.1
170.01236	1.3
170.05087	0.6
174.99268	1.0
175.03970	1.8
177.00729	1.8
177.04294	0.9
179.02286	1.0
181.00174	12.3
183.01736	5.7
183.11726	0.9
184.05019	0.7
186.00774	1.0
186.99077	3.2
187.00838	0.6
187.07571	0.8
187.11101	1.4
188.02391	1.7
199.01392	0.7
201.00696	1.2
201.12538	1.6
204.01857	0.9
205.00172	39.6
219.01836	1.0
223.01224	69.4
228.01872	2.5
229.12320	1.9
237.02890	1.2
241.02275	7.6
246.02878	3.4
247.01279	2.4
247.06532	0.7
247.09656	1.7
247.14648	4.2
265.02371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68723	0.3
52.14534	0.3
57.06813	0.5
57.07069	7.0
58.06585	0.5
60.17024	0.4
62.06075	0.3
62.30788	0.4
62.52934	0.3
62.61566	0.4
69.49529	3.3
69.49946	0.6
70.06583	11.9
70.14658	0.3
71.08622	1.9
73.31560	0.4
80.13638	0.3
85.10166	1.1
87.50248	0.3
88.07619	15.5
91.93699	0.4
97.75993	0.4
102.09168	4.8
106.08652	8.9
115.32727	0.3
136.22763	0.4
141.20978	0.3
146.14784	0.4
177.47984	0.4
184.20605	0.5
202.21664	0.8
228.23198	6.9
240.39830	0.4
246.24254	100.0
247.24544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
56.96557	100.0
57.03423	3.7
58.06591	0.8
58.99874	0.6
60.99632	0.6
61.02908	1.5
67.05495	0.6
69.03425	6.1
69.07058	1.0
70.06580	1.4
70.98108	11.6
71.04980	1.7
71.95239	1.0
72.08147	4.4
73.02908	1.8
74.97591	6.3
77.00905	0.5
81.03401	3.3
82.06577	1.2
83.04966	0.7
84.04493	2.0
84.08131	3.5
84.96021	6.2
84.99605	0.5
85.02897	4.8
85.04028	0.7
85.08466	0.8
86.03650	0.8
86.09696	8.4
86.97575	1.6
87.04469	1.9
88.03982	1.4
88.99146	8.1
92.98637	0.9
94.06551	1.1
97.02876	5.6
97.99165	0.8
98.20679	1.2
98.97565	7.2
99.04449	0.6
100.05292	0.5
100.07607	3.5
100.99118	6.7
101.00864	5.0
101.07946	0.9
102.05512	0.8
102.97045	1.1
103.00605	4.9
103.02434	2.0
104.10728	17.7
105.00397	0.5
107.00169	3.4
108.96228	0.5
109.02862	2.8
110.97556	3.9
112.07596	2.0
112.95476	0.7
113.06011	0.6
113.10760	0.6
115.00599	0.9
115.02415	1.7
115.03883	0.7
116.07088	0.8
116.98611	6.6
118.08651	0.9
119.00179	6.5
119.01907	20.3
120.01994	1.4
120.97983	0.6
121.01652	14.9
121.02518	0.8
121.03449	1.1
123.14809	0.6
127.02378	0.6
127.03896	1.5
128.98587	7.6
129.02174	1.2
129.03938	0.9
130.08612	2.0
130.96524	2.7
131.01860	3.4
132.10161	0.9
133.01672	6.3
133.03418	6.9
134.03616	0.6
134.99648	5.3
135.03159	1.0
137.01198	1.4
137.02916	5.0
139.02663	2.9
142.03552	0.8
143.00131	1.0
143.01857	2.3
144.03386	0.9
144.98065	17.2
144.99815	0.9
145.01607	2.5
145.03413	4.0
146.08015	0.6
146.99620	9.0
147.03259	6.0
147.04999	1.0
148.97557	3.9
149.01164	1.7
149.02956	0.8
151.02715	1.4
151.04457	2.3
155.00183	1.2
155.01810	1.2
156.98039	0.7
157.01569	4.0
157.03413	2.2
158.54605	0.6
158.99635	1.4
159.03131	3.5
159.05119	0.9
161.01201	2.8
161.02925	7.4
162.99124	36.1
163.02699	4.0
163.04480	0.6
165.00702	3.6
165.04271	1.6
166.04721	0.9
166.08600	0.6
166.98596	2.0
168.02602	0.8
168.99805	1.2
169.01654	1.9
169.03436	0.7
171.03133	0.7
171.04988	0.6
172.04697	0.7
173.01457	1.1
173.02966	2.4
173.04561	0.9
174.99117	1.6
175.02687	5.6
175.04312	1.6
177.00684	2.4
177.04311	3.3
177.05739	0.6
179.02196	1.9
181.00172	15.2
181.01570	0.8
181.03709	0.6
181.05258	1.3
183.01738	0.6
183.11517	0.7
185.02942	3.1
186.00665	1.8
186.99155	2.2
187.00876	3.6
187.02698	13.4
187.04485	2.5
187.05994	0.7
187.11035	0.6
188.06062	1.1
188.07629	0.9
188.12766	0.8
189.02505	0.5
189.04303	1.7
189.06003	0.5
191.02174	0.8
191.03836	1.1
193.00165	1.0
194.04276	0.6
197.02879	0.5
197.06567	1.1
198.06094	0.7
199.01147	1.7
199.02731	3.8
199.04393	0.7
199.06244	0.6
201.00664	4.6
201.02449	2.6
201.12447	1.2
203.03931	1.7
204.01714	1.0
205.00179	26.0
205.03618	4.6
205.05487	1.1
206.07100	3.1
212.07547	2.3
215.00322	3.9
215.07573	2.0
217.03705	1.8
217.05554	5.3
217.57864	1.0
219.01724	2.0
219.05283	0.9
221.05095	1.0
223.01227	56.2
223.04793	3.3
224.04070	1.2
228.01764	2.4
229.03258	4.6
229.12106	1.2
229.17633	0.7
235.06590	1.3
241.02274	7.4
245.04996	0.8
246.02824	3.6
247.04300	20.2
247.06537	2.0
247.08369	1.5
247.13298	1.6
247.16415	1.5
248.14818	1.5
265.02133	1.3
265.05460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.5
57.07071	6.3
67.05491	11.6
69.07063	15.6
70.21309	5.1
72.24952	1.3
79.05492	6.7
81.07046	27.0
83.08602	7.4
91.05460	5.5
93.07033	18.0
95.08593	32.0
97.10142	6.2
105.07011	19.0
107.08582	26.7
109.10140	21.0
119.08571	23.5
121.10133	20.0
123.11692	13.5
131.08568	2.0
133.10117	14.2
135.11678	17.6
137.13249	7.9
145.10098	2.4
147.11656	14.9
149.13235	19.8
161.13246	15.9
163.14816	19.7
175.14792	26.2
175.16208	2.1
177.16425	1.6
178.24484	1.2
187.14842	2.4
189.16333	22.1
202.17175	1.5
203.17946	11.2
245.22629	100.0
246.22931	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1856
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01870	0.3
55.05497	0.5
55.98944	0.3
57.03424	0.3
58.06600	0.2
67.05495	0.5
69.03416	0.6
69.07056	0.7
70.88084	0.8
71.04964	0.8
79.05491	0.7
81.03391	0.3
81.07037	0.5
83.01199	0.2
84.04461	0.4
85.02935	0.3
86.09695	100.0
86.61056	0.2
87.10027	0.6
91.05472	0.9
93.07039	0.5
95.04968	0.7
95.08605	0.5
97.02880	0.6
97.06506	0.5
97.10125	0.2
103.05441	0.3
105.07046	1.3
107.04930	0.5
107.08574	0.6
109.02864	0.3
115.05424	0.5
117.06975	0.3
119.08567	0.5
121.06492	0.4
123.07979	0.4
128.06242	1.0
129.06995	0.9
131.08572	1.0
132.10173	3.1
133.06491	0.4
133.10162	0.4
135.08092	0.4
137.05875	0.2
141.06987	0.5
142.03221	1.2
142.07674	0.4
143.08556	1.6
144.05753	0.3
145.02872	0.3
145.06468	0.3
145.10114	0.7
151.07506	0.5
153.07007	0.9
155.08517	0.6
156.09320	1.3
157.06479	0.5
157.10112	0.7
159.04366	0.3
159.08026	1.1
159.09213	0.5
161.06041	0.5
166.07787	0.4
168.09360	0.4
169.06482	0.4
171.04439	0.4
171.08043	0.9
171.11667	2.2
173.13278	0.8
175.07515	0.4
177.05402	0.5
181.06490	0.4
181.10098	0.5
183.11726	0.4
184.08865	0.9
185.09587	1.3
187.11349	0.3
199.07530	0.9
199.11151	4.9
199.18045	1.5
201.09355	0.2
201.12724	0.9
203.10667	0.5
209.09557	0.3
217.04950	0.3
217.08577	0.8
217.12140	0.6
227.10738	0.8
245.04504	0.8
245.08052	2.2
245.11768	5.1
245.15451	0.5
245.18607	3.6
252.69968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70100	0.5
55.01857	0.7
56.96556	16.4
57.03440	1.4
58.06596	3.4
58.99846	2.8
59.06926	1.4
68.98282	1.3
69.03416	2.5
70.06598	0.8
70.98103	1.3
70.99858	2.8
71.57656	1.1
71.95246	2.6
72.96053	0.7
73.02901	0.8
73.05272	0.8
77.00906	3.4
81.03430	2.7
82.06568	3.7
82.99832	1.4
83.06898	1.9
84.04496	1.1
84.08140	1.9
84.51642	0.6
84.96025	1.2
85.01369	0.6
85.02877	1.9
86.06023	1.0
86.99320	2.2
88.07606	1.5
89.00876	1.5
94.06536	0.8
95.01929	1.4
97.02877	4.5
98.97566	12.3
99.97894	0.8
100.07607	6.7
101.00858	33.5
101.07938	7.0
103.02424	2.1
105.00352	2.3
108.38868	0.5
109.02865	2.4
113.00850	4.6
115.02408	4.6
116.98603	9.4
117.98943	0.6
119.01903	100.0
120.02023	2.4
121.02291	0.7
121.03445	1.0
124.02434	0.9
124.95511	0.7
127.02374	3.5
127.03881	0.7
128.98552	1.2
129.03929	3.0
131.00996	0.6
131.01881	18.4
132.01949	0.6
133.01663	0.7
133.03438	6.6
133.10504	0.9
134.99649	4.4
137.00778	1.0
137.02946	16.5
138.05505	3.1
138.76355	0.6
139.02362	1.6
142.03479	3.4
142.96504	2.4
143.01872	14.8
144.02710	0.8
145.03433	23.3
146.03493	0.8
147.01366	3.7
147.04993	3.3
149.01155	1.7
149.02916	2.5
151.04555	0.7
153.00696	0.9
155.01866	25.6
156.02580	1.2
157.03445	19.8
159.01472	0.7
159.05000	1.2
160.02736	0.6
160.97575	1.9
161.02937	34.6
162.03000	0.6
163.04463	5.7
167.01865	10.9
168.05020	0.8
169.03462	3.6
170.96001	1.3
171.04979	5.7
173.02939	33.0
174.03072	1.2
174.99153	1.1
175.04494	9.2
177.02251	0.8
179.01883	7.6
179.03897	1.1
181.03529	0.7
183.12001	1.0
184.04482	2.0
185.02931	80.9
186.03047	2.6
187.04485	7.9
188.97047	7.1
189.02333	0.6
189.06076	1.3
191.02310	0.8
191.03856	2.7
193.00168	1.5
196.04597	2.0
197.02925	29.5
198.03041	0.9
199.04495	1.5
202.98589	1.9
203.03979	21.8
203.05936	1.0
205.05449	1.1
206.98106	6.7
208.04485	3.0
209.02968	1.6
215.03973	10.3
219.01721	0.7
220.04489	1.9
220.99707	1.1
221.05051	9.9
226.05533	0.9
227.03986	5.1
233.05363	0.6
238.05573	1.2
245.05038	41.1
245.15712	12.9
246.05257	0.7
263.06189	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	245.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38697	0.5
55.00395	0.4
56.96560	13.9
57.03444	0.6
58.06599	4.0
58.99850	2.8
59.06930	1.3
61.02904	0.6
68.98284	1.8
69.03425	2.8
70.06586	1.3
70.98113	0.9
70.99860	1.5
71.63197	0.7
71.95266	2.4
72.08138	0.6
72.96034	0.5
73.02917	0.9
77.00890	3.5
81.03416	3.2
82.06570	2.8
82.99882	2.7
83.06912	2.8
84.01563	0.7
84.04507	0.9
84.08135	1.3
84.96040	0.9
85.02885	2.3
86.06072	0.8
86.99319	2.1
88.07631	1.9
89.00886	1.5
89.07981	0.5
95.01955	0.9
97.02881	5.0
98.97576	10.0
99.97945	0.6
100.07606	5.9
100.11274	0.6
101.00868	31.4
101.07947	5.8
102.00989	0.8
103.02455	1.6
105.00359	2.4
106.43774	0.4
109.02879	2.3
110.97535	0.5
113.00882	3.5
113.05525	0.5
115.02421	3.7
116.07059	0.7
116.98618	9.3
118.01140	0.9
119.01909	100.0
120.02043	1.8
121.01634	0.7
121.03476	0.9
124.02438	1.1
124.95490	0.8
127.02414	3.1
128.98586	0.8
129.00359	0.9
129.03955	3.3
131.00294	0.8
131.01889	19.2
133.01660	0.8
133.03499	5.4
133.10544	0.7
134.99634	6.4
136.00009	0.6
137.00827	1.3
137.01892	1.1
137.02945	16.5
138.05455	2.4
139.02417	1.6
141.03883	0.7
142.03493	3.8
142.96510	2.1
143.00232	0.6
143.01892	13.8
143.02971	0.9
144.02661	0.8
145.03452	24.9
146.03494	0.7
146.99609	1.2
147.01378	3.8
147.04994	3.4
148.99280	0.5
149.01201	1.1
149.02982	3.1
153.00604	0.5
153.03868	0.6
155.01875	24.3
156.02562	0.5
156.03661	0.8
156.04773	0.6
156.53787	1.2
157.03456	19.2
159.05019	1.6
160.97581	2.0
161.02951	30.3
162.03152	0.6
163.04510	4.9
165.02301	0.5
167.01888	11.9
168.05046	1.2
169.03435	4.2
170.95909	0.9
171.05028	5.8
173.02948	35.1
174.03085	1.1
174.99179	1.1
175.03052	0.8
175.04523	7.8
177.00836	0.5
177.02560	0.5
178.98566	0.8
179.01897	6.1
179.04073	1.1
181.03499	0.7
183.05013	0.6
183.12115	0.8
184.02159	0.9
184.04573	1.9
185.02943	75.7
186.03116	1.9
187.02924	0.6
187.04512	7.0
188.97034	8.0
189.06169	0.8
191.03984	2.4
193.00194	2.1
196.04567	1.4
197.02945	31.4
198.03146	0.7
199.04538	2.1
202.98590	1.8
203.03995	20.6
203.05910	1.2
204.04170	0.9
205.05638	0.7
206.98114	5.7
208.04564	4.0
209.02975	1.2
215.02000	0.9
215.03963	9.3
217.05560	0.6
220.04517	1.5
220.99620	1.9
221.03015	0.6
221.05055	10.2
222.05473	0.5
224.99194	0.7
226.05588	1.3
227.04002	6.3
228.07114	0.5
230.98103	0.7
233.05081	0.7
238.05547	0.7
245.05049	37.6
245.15739	12.6
246.05272	1.1
246.08150	0.7
263.03406	0.7
263.06195	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	244.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64996	0.3
55.01847	0.4
55.05488	0.7
56.05014	0.4
56.96558	13.0
57.03429	4.6
57.31614	0.3
58.06592	37.1
58.88029	0.4
58.99839	0.8
60.14546	0.3
61.02633	0.7
61.02919	11.3
69.03422	2.0
70.02265	0.9
70.02660	0.7
70.06574	2.6
70.98101	1.5
71.04951	0.4
71.95252	1.0
72.04513	0.4
72.08128	1.0
72.96029	0.5
73.02895	0.8
73.05291	3.8
74.06039	0.3
74.97581	0.8
77.00889	0.8
78.30501	0.3
81.03394	0.8
81.07040	0.7
82.06545	1.5
82.06972	0.3
84.01549	0.5
84.04492	0.5
84.07751	0.4
84.08141	4.6
84.96005	1.0
85.02899	3.4
86.06059	0.8
87.04456	0.8
87.06823	0.8
88.07619	16.8
88.99139	1.1
89.00806	0.6
91.05453	0.9
93.07021	1.1
95.01305	0.8
95.04950	0.7
95.08640	0.4
96.08147	0.4
97.02874	2.0
98.01270	0.7
98.97577	6.5
100.07610	3.1
101.00865	5.4
103.02384	0.8
105.00336	0.7
105.06956	0.3
106.01043	0.4
107.00175	0.4
107.04916	1.1
108.08080	0.8
109.02829	0.5
109.06511	0.6
110.01234	0.5
110.97534	0.5
111.00217	0.7
111.04415	0.4
112.05111	2.0
113.00860	0.8
113.02354	0.5
114.09152	0.6
115.02396	1.2
115.03948	0.7
116.98619	5.3
117.01917	0.4
118.01041	1.2
119.01900	19.3
119.08539	0.5
120.00742	0.8
120.02006	0.6
121.01619	0.7
121.57011	0.4
122.09624	1.8
124.95451	1.6
127.01528	0.6
127.02393	0.6
127.03901	0.9
128.98569	0.7
129.03987	0.5
129.10233	0.4
130.08607	0.4
131.00151	1.0
131.01884	3.9
132.00725	1.4
132.10191	8.7
133.03415	1.9
134.02939	0.7
134.99637	3.5
135.01265	0.6
135.03163	0.3
135.07990	0.6
136.11208	1.3
137.02953	2.6
137.11975	0.9
139.01463	0.4
141.01251	4.0
141.03049	0.8
142.03484	0.7
142.96504	2.7
143.01849	2.9
145.03444	4.3
146.99602	1.5
147.01312	1.0
147.04956	0.6
149.01213	2.9
149.02930	0.9
150.01787	9.6
150.51927	0.7
152.52014	0.6
153.00974	0.4
154.00215	0.7
155.01878	5.0
156.03694	0.4
157.03450	3.5
159.02330	1.5
160.97565	2.2
161.01114	0.6
161.02931	5.4
161.52600	0.9
163.04517	1.1
163.07571	0.8
164.10695	0.6
165.00676	1.5
167.01985	2.3
167.09386	2.2
169.02426	0.5
170.01376	0.4
170.96053	0.9
171.05009	0.9
173.01289	0.6
173.02913	6.3
174.99136	2.4
175.00784	1.7
175.04472	1.7
177.00706	0.8
177.02396	0.9
178.03069	0.5
178.98590	0.5
179.01904	1.1
179.04001	0.5
182.11749	9.0
184.01215	2.1
184.04460	0.4
185.02933	13.2
186.99211	0.4
187.00899	0.4
187.04480	1.5
188.97055	6.3
189.00677	1.2
190.98622	0.7
191.02081	1.7
191.03819	0.4
193.00203	3.5
196.01250	0.6
196.04587	0.5
197.02957	4.5
198.00620	0.6
199.04585	0.5
200.02557	0.6
202.98666	2.1
203.02330	0.4
203.03979	4.1
205.00104	0.6
205.01799	1.3
205.05576	0.4
206.83905	0.4
206.98085	4.7
207.01630	0.6
208.04633	0.5
211.98662	0.8
212.04231	0.4
214.02263	0.6
215.03966	1.5
217.00146	0.9
219.01665	0.9
219.03589	0.4
220.99722	1.9
221.04988	3.1
224.99100	0.6
226.02370	1.2
226.05342	0.4
226.14325	1.3
227.03981	0.5
232.99748	0.7
235.02963	0.5
239.00682	0.7
239.06117	0.5
244.15408	100.0
245.05023	6.5
245.15746	1.8
262.05832	0.6
263.05994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.154
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
56.05013	0.3
56.96553	2.2
57.03437	0.3
58.06590	40.6
67.05497	0.3
69.03426	0.8
70.06591	2.0
70.48204	0.6
70.48601	0.6
71.07378	0.6
72.04528	0.3
72.08163	0.7
73.05281	4.0
79.05474	0.7
81.03423	0.3
81.07052	0.4
82.06576	3.6
84.04509	0.5
84.08125	2.7
85.02884	0.8
86.06075	0.5
87.06843	1.0
88.07616	19.5
91.05453	1.0
93.07033	1.4
94.06563	0.7
95.08596	0.5
97.02847	0.6
98.97575	3.1
100.07605	7.5
100.08226	0.6
101.00874	1.8
108.08122	1.0
109.06499	0.6
109.08895	0.4
111.04445	1.0
112.05085	3.4
115.08713	0.4
116.07137	0.4
116.98595	1.8
117.07011	0.3
119.01893	3.5
119.08600	0.4
121.06483	0.4
122.09674	1.6
127.02494	0.4
130.04964	0.3
131.01875	0.9
132.10184	9.7
133.03430	0.4
134.99641	0.6
135.08051	0.4
136.11172	1.5
137.02925	0.6
137.11972	0.8
138.05525	0.3
142.08566	0.3
143.01917	0.6
145.03481	1.2
149.01234	0.5
152.07085	0.3
155.01913	1.1
156.03656	0.5
157.03448	0.7
161.02948	1.3
163.07510	0.7
164.10684	0.9
167.09399	1.8
167.54395	0.3
173.02940	1.3
175.04437	0.6
179.01930	0.4
181.11095	0.3
182.11745	9.7
184.13295	2.1
185.02939	2.8
188.97105	0.6
197.02927	1.2
200.12849	0.3
203.04030	1.1
206.97954	0.4
221.05083	0.7
226.14375	1.0
244.04982	2.1
244.15408	100.0
245.04988	2.1
245.15768	2.4
262.05917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05491	0.8
56.05022	0.4
56.96556	30.5
57.03167	0.7
57.03426	11.9
58.06589	38.0
58.99857	0.6
59.04968	0.6
60.95823	0.5
61.02916	36.3
62.03255	0.9
67.05472	0.5
69.03428	3.7
70.06574	3.0
70.98106	3.2
71.01353	0.5
71.65878	0.6
71.79998	0.4
71.95256	2.9
72.08123	0.9
72.96028	0.8
73.02906	2.7
73.05282	3.5
74.06066	0.6
74.97596	1.1
75.01030	1.3
75.04488	0.6
77.00858	0.7
79.05451	0.5
81.00662	0.4
81.03394	1.1
81.07034	0.7
82.06560	2.2
83.00748	0.5
83.04958	0.8
83.28479	0.5
84.01558	2.1
84.04462	1.0
84.08130	6.5
84.96024	2.5
85.02888	7.6
86.06065	0.7
87.00822	1.1
87.04427	1.8
87.06834	1.3
88.07617	17.2
88.99145	2.5
89.00751	1.9
91.02321	0.8
91.05441	0.6
92.01263	0.5
93.02057	0.8
93.07019	1.2
94.44250	0.4
95.01296	0.6
95.04935	0.6
97.02876	3.3
98.01285	2.6
98.06048	0.6
98.96965	0.8
98.97568	12.9
99.04405	0.9
100.02444	0.9
100.07597	5.5
101.00844	2.8
101.01431	0.5
101.02339	0.5
102.02219	0.4
103.02363	1.2
104.01276	0.7
105.00328	0.5
105.02058	0.9
106.00998	1.1
107.00160	0.6
107.01781	0.4
107.04945	2.0
107.08637	0.4
108.08082	0.8
109.00435	0.7
109.02873	0.6
109.06514	0.8
109.08835	0.5
110.01262	1.3
110.97551	0.7
111.00225	1.6
111.04375	0.5
112.05078	2.7
112.99088	0.9
113.00840	0.7
113.01662	0.6
113.02386	2.4
114.04161	0.7
115.01536	0.8
115.02418	1.0
115.03899	1.3
116.06989	0.7
116.98604	12.2
117.01831	1.1
118.01028	3.0
118.02779	0.7
118.03519	0.5
119.00010	0.6
119.01887	16.4
119.03334	0.8
120.00742	1.8
120.01934	0.9
121.01628	1.0
122.09657	1.2
123.00167	0.6
124.95441	3.3
126.00702	0.4
126.02510	0.8
127.01515	1.3
127.03142	0.4
127.03894	2.8
128.36705	0.5
128.52444	0.5
128.98569	1.7
129.01208	0.6
129.10184	0.7
131.00186	2.5
131.01863	4.3
132.00731	2.8
132.02536	1.3
132.05032	0.7
132.10185	10.2
133.01617	1.1
133.03419	2.6
133.06462	1.2
134.00438	0.7
134.02965	1.9
134.99629	7.7
136.11177	1.6
137.02957	3.5
137.05919	0.5
137.11948	0.7
139.01428	0.6
139.02464	0.6
141.01245	12.6
141.02982	2.7
141.51437	0.8
141.53139	0.5
142.03490	0.5
142.96501	6.2
143.01851	2.3
144.00627	0.6
144.98079	0.9
144.99753	1.3
145.01695	0.6
145.03418	3.5
146.99626	3.7
147.01311	1.2
147.03017	0.9
147.04921	0.6
148.01978	1.0
149.00090	0.4
149.01186	7.9
149.02948	0.9
150.01779	30.3
150.03616	1.9
150.51941	1.8
151.01482	0.6
151.02612	0.5
151.04463	0.8
151.07489	0.5
152.00432	0.5
152.52045	1.0
152.94939	0.8
153.01117	0.6
153.04160	0.6
154.00175	1.0
155.01880	3.0
156.01718	0.6
156.03577	1.1
156.98096	1.1
157.03539	2.3
158.03584	0.5
158.99608	2.1
159.02321	4.1
160.02040	1.2
160.97560	5.5
161.01057	1.8
161.02896	6.4
161.52559	3.6
161.53717	0.4
161.54381	0.5
162.03026	0.8
162.99171	0.7
163.00752	1.0
163.02753	0.7
163.04373	1.2
163.07469	0.7
164.10718	0.6
165.00607	2.8
166.03253	0.5
167.02187	2.7
167.09381	1.0
168.01721	0.7
169.02515	1.2
170.01494	1.8
170.95966	1.9
171.05005	0.5
172.97641	0.6
173.01205	0.9
173.02927	4.9
174.01768	1.2
174.99098	5.3
175.00768	3.7
175.02649	0.8
175.04489	1.6
175.50887	0.7
176.97110	0.7
177.00690	2.4
177.02391	1.2
178.03073	0.8
178.98581	1.5
179.02103	0.9
182.01488	1.7
182.11746	10.0
183.02219	1.0
184.01247	6.5
184.04581	0.6
184.51443	0.9
184.97548	1.2
185.02911	6.4
186.51465	0.6
186.99109	0.9
187.00713	0.5
187.04422	0.8
188.97055	12.7
189.00612	2.8
189.02267	0.9
189.97453	0.7
190.98607	2.6
191.00424	0.7
191.02104	5.5
191.03931	1.0
193.00160	8.2
193.01810	1.3
193.03383	0.7
195.52086	0.9
196.01241	2.8
197.02997	2.5
198.00636	1.7
199.04497	0.7
200.02603	1.0
201.00713	0.9
202.02441	0.8
202.52849	0.6
202.98610	3.1
203.02113	1.1
203.03964	2.6
205.00127	1.9
205.01794	7.9
205.03682	1.4
205.05421	0.7
205.52025	1.0
206.98106	8.4
207.01706	1.3
208.99814	0.8
209.06606	1.2
211.01180	0.6
211.98604	0.9
212.04343	0.5
214.02283	1.4
214.52490	0.5
214.98605	1.2
215.03957	0.6
216.01817	1.0
216.52611	1.0
217.00162	1.9
217.05704	0.4
219.01724	1.8
220.99644	4.5
221.05069	2.4
223.01129	0.7
224.99150	1.2
226.02158	2.5
226.14278	1.0
227.10426	0.6
229.99660	0.8
230.03392	0.9
230.98131	1.2
232.99591	2.2
235.02802	1.6
235.04807	1.2
235.52791	0.5
237.02776	1.2
239.00652	0.6
239.06071	0.7
244.04514	1.4
244.15401	100.0
244.99626	1.8
245.05025	4.1
245.15738	0.6
246.53584	0.7
248.99225	0.8
251.01097	0.6
260.99094	0.9
262.03137	1.5
262.05630	0.9
263.00684	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	243.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	19.3
55.05492	21.6
57.03422	16.1
57.07064	23.7
62.99206	10.6
67.05484	36.7
69.03420	75.4
69.07032	19.5
69.81510	18.4
69.81922	35.2
71.01343	13.5
71.08620	18.4
79.05019	9.9
79.05466	19.4
81.07026	54.0
83.04987	56.7
85.02894	47.9
88.07585	15.1
91.05470	29.2
93.07035	27.7
95.04951	21.3
95.08595	20.0
97.02863	48.9
99.04453	10.4
105.07015	37.7
107.08566	29.3
109.10147	9.2
111.04447	35.2
117.06973	18.7
119.08561	30.7
121.10076	14.2
123.11625	18.4
131.08534	15.1
133.10088	30.3
135.11691	11.1
141.06892	16.7
145.10097	28.5
147.11705	39.5
151.03879	10.0
157.10156	15.8
159.11690	31.5
165.12715	13.7
169.10120	20.5
173.09596	40.8
173.13246	23.5
185.13318	10.2
187.07526	14.2
187.14767	21.2
197.09662	17.8
201.16466	16.1
225.09042	39.7
228.07407	13.1
229.14441	14.6
243.06432	22.9
243.10114	30.0
243.15018	21.0
243.17293	18.6
243.21059	100.0
243.25035	11.0
243.28787	71.1
248.60880	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	243.1589
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
52.93098	3.0
53.03929	5.7
55.01870	5.8
55.05500	11.3
57.03423	13.7
57.07072	2.9
57.30745	3.2
59.04983	4.8
65.03920	7.5
67.05505	20.8
68.99808	3.9
69.03416	10.3
69.07056	13.6
70.06578	6.2
71.04981	42.5
71.63114	2.8
71.63507	4.4
72.08166	3.0
79.05486	28.2
80.00295	3.0
81.03399	10.7
81.07042	35.8
82.06556	3.3
83.04979	30.2
83.08596	5.7
84.04501	8.9
84.08125	10.3
85.02909	5.0
85.06533	4.5
86.09712	18.0
86.10134	3.9
91.05467	38.6
93.07033	65.1
95.04955	95.8
95.08585	39.6
97.02890	30.9
97.06511	19.8
98.06000	3.2
98.97586	6.1
99.04453	34.5
100.11277	3.3
103.05480	7.0
105.07014	75.6
107.04953	6.3
107.08580	84.6
109.02865	8.7
109.06512	20.0
109.10139	36.3
109.75613	3.4
111.04382	3.4
111.08094	9.1
113.05955	3.9
115.05467	7.3
117.07024	16.7
117.93385	3.1
119.04948	7.2
119.08562	100.0
120.08081	5.3
121.06485	6.9
121.10130	42.9
123.04431	5.8
123.08075	29.1
123.11679	5.8
125.05910	3.3
125.09595	13.4
126.03101	6.4
128.06190	6.9
128.07072	10.2
129.06960	6.6
130.07774	5.5
131.04892	13.5
131.08562	27.0
133.06488	4.8
133.10106	45.7
134.10478	4.3
135.08049	9.8
135.11679	16.7
137.05943	4.0
137.09584	29.4
139.07565	4.9
139.11128	3.6
140.04657	9.0
141.05492	22.9
141.06975	14.0
143.08556	10.7
144.09299	3.8
145.06436	5.6
145.10107	56.5
147.04445	7.7
147.07993	6.4
147.11682	25.8
149.02359	5.8
149.06006	4.4
149.09601	48.2
149.13173	6.9
151.11174	13.3
151.94357	3.3
152.06161	3.8
153.09074	16.2
154.06755	6.6
155.07022	12.6
155.08484	4.1
155.10648	8.0
156.09363	8.3
159.04391	86.4
159.08022	6.2
159.11676	60.1
161.09587	4.0
161.13237	16.9
163.11153	38.0
165.12767	9.2
167.10670	74.0
169.05043	28.7
169.06361	6.1
169.10112	7.9
169.12221	11.3
171.11694	12.9
173.05922	5.5
173.09583	12.0
177.05460	9.1
177.12723	43.1
179.07048	4.4
179.08524	4.8
181.04933	9.8
181.12157	7.7
183.07938	5.6
185.05988	5.2
187.07506	18.3
189.12679	20.2
193.04831	5.3
195.13776	12.1
197.05913	8.9
197.07639	5.2
197.09616	12.7
197.12958	3.7
199.07434	4.0
201.09090	5.4
207.13773	71.2
210.06752	4.6
213.14847	12.7
214.07339	5.7
215.07077	15.7
215.10738	13.8
225.09145	21.9
225.14824	78.0
243.06317	30.3
243.10101	32.8
243.15933	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
51.02399	0.4
53.03945	0.6
55.01859	1.7
55.05498	0.7
65.03934	2.6
67.05497	1.0
68.99781	5.6
69.03436	1.0
69.07040	0.4
70.06593	0.4
71.04975	0.5
71.57853	0.5
79.05480	0.8
81.03394	0.5
81.07053	1.3
83.04966	0.8
84.08165	0.7
85.02882	1.2
86.09684	0.9
91.05471	2.6
93.07038	1.3
95.04947	1.5
95.08611	1.0
97.02876	7.4
97.06480	0.5
99.04423	1.7
103.05430	2.6
105.03365	0.8
105.06969	0.8
107.04935	8.4
107.08568	0.7
109.02857	0.4
109.06495	0.7
109.10129	0.6
110.28350	0.4
111.04426	0.9
115.05451	2.0
116.98608	0.5
117.07012	1.4
119.04949	1.4
119.08578	1.0
121.02850	20.6
121.10108	0.8
123.04391	0.7
128.06180	1.1
129.06976	0.8
131.04907	7.3
131.08548	1.9
133.10130	0.6
137.05930	0.6
141.05391	1.1
141.06975	8.9
143.08557	0.9
144.05692	1.6
145.06476	2.9
145.10068	0.7
147.04381	4.5
147.08066	3.2
149.02319	98.3
149.09566	0.5
150.02686	1.1
152.06169	0.5
154.06836	0.9
155.05969	0.7
155.07178	0.4
155.20242	0.4
157.06450	1.0
159.04391	12.9
159.07996	2.4
159.11583	0.5
167.03368	1.5
168.05667	0.4
169.04964	1.5
169.06432	11.7
171.08055	1.0
172.08664	1.4
173.05917	2.2
173.09550	1.8
177.05437	7.9
179.08499	0.5
181.06393	0.7
183.04404	0.5
183.08009	0.9
185.05956	6.2
187.07536	3.2
190.09500	0.5
197.05933	15.9
197.07365	1.1
197.09642	1.4
198.06635	1.1
200.04588	0.5
201.05444	0.6
201.09018	0.5
207.13821	0.5
211.07631	0.4
213.05411	0.5
214.06145	0.7
215.06993	100.0
216.07431	2.4
223.71709	0.4
225.05441	1.7
225.09041	1.9
243.06482	61.4
243.08459	2.3
243.10439	1.6
243.20975	0.5
244.06801	1.4
248.65276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0649
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01871	1.2
55.05503	0.4
62.55457	0.3
65.03930	2.4
67.05509	0.6
68.99779	3.4
69.03398	0.5
69.07071	0.5
70.11411	0.4
70.96869	1.0
79.05469	0.8
81.03400	0.4
81.07048	0.6
83.04951	0.6
83.08611	0.4
85.02897	1.2
85.06544	0.4
86.09694	0.5
91.05474	1.6
93.07025	0.6
95.04974	0.8
95.08593	0.5
97.02873	4.9
99.04465	0.7
103.05463	1.4
105.07018	0.6
107.04947	6.4
107.08517	0.5
109.06474	0.4
111.04447	0.7
115.05458	1.1
116.06268	0.5
117.07021	1.2
119.04916	1.2
119.08582	1.1
121.02850	18.9
128.06197	0.8
131.04912	4.3
131.08574	1.3
141.06973	8.7
144.05696	1.5
145.06480	2.9
145.10179	0.5
147.04393	4.6
147.08032	2.8
149.02319	97.3
150.02654	1.0
150.29321	0.4
153.07027	0.5
154.06792	0.7
157.06493	1.0
159.04387	7.6
159.08000	2.0
167.03404	1.3
168.05602	0.8
169.05101	0.8
169.06456	10.4
169.10156	0.4
171.07990	0.8
173.05943	2.2
177.05447	4.6
178.05797	0.4
183.08047	0.5
185.05945	4.3
187.07527	3.3
197.05949	14.8
198.06668	0.4
200.04607	0.5
201.05284	0.5
213.05420	0.7
214.06194	0.5
215.07002	100.0
216.07320	1.9
225.05418	1.1
225.09064	0.7
225.14595	0.4
243.06490	57.2
244.06851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.9
55.05489	5.1
56.05035	1.4
56.96557	100.0
57.03428	16.2
57.97343	1.5
58.06584	3.9
58.99840	2.0
59.04961	1.6
60.95840	1.7
61.02916	14.8
69.03423	23.9
69.07044	1.5
70.03777	1.4
70.03899	1.8
70.04214	8.1
70.06580	8.6
70.98108	10.1
71.01330	2.1
71.04978	3.9
71.95236	6.2
72.08138	7.0
73.02902	13.3
74.00240	1.3
74.06062	5.1
74.97598	3.1
75.04449	4.9
76.54982	1.5
79.05457	1.5
81.03392	6.3
81.47807	1.4
82.06568	8.6
83.00779	1.6
84.04485	8.0
84.08132	38.4
84.96024	13.1
85.02892	22.8
86.03185	1.3
86.06035	2.4
86.09697	12.0
87.04474	9.1
88.99133	5.0
89.00785	2.9
91.05807	1.6
96.08081	1.6
97.02874	25.7
97.99197	2.5
98.01284	3.2
98.03175	2.0
98.06121	1.5
98.09705	2.6
98.21386	1.7
98.97569	89.8
99.04421	5.3
99.10003	5.5
99.97904	3.5
100.07605	21.6
100.97160	1.9
100.99104	1.6
101.00868	8.7
102.01528	1.9
102.97005	4.3
103.00545	1.3
103.02395	1.8
104.01274	4.0
105.06972	1.7
106.01011	2.0
107.00148	1.8
107.01797	1.4
107.04916	2.7
109.02857	3.7
110.01223	1.9
110.07165	1.9
110.97518	8.0
111.05561	1.8
112.00987	2.4
112.02776	1.6
112.05092	9.2
112.99099	3.2
113.00893	3.0
113.01709	1.8
115.02423	4.1
115.03883	3.5
116.00193	1.8
116.07073	1.9
116.98604	84.9
117.01928	2.8
117.03936	1.8
117.98972	1.8
118.01057	2.8
118.98192	1.7
118.99018	1.6
119.01900	60.2
120.00738	3.2
120.01976	2.4
121.01637	1.6
121.03470	2.3
122.03054	2.5
124.02809	1.9
124.99102	3.2
125.01752	3.8
126.02562	3.1
126.09103	2.1
127.00710	1.6
127.03886	4.9
127.12289	7.7
127.99026	1.6
128.02304	1.5
128.07077	2.3
128.98596	13.1
129.03996	1.3
130.93311	3.2
131.00153	5.9
131.01868	21.0
132.02501	2.7
132.10205	3.5
133.01587	5.0
133.03467	9.7
133.04947	2.9
133.06473	3.8
134.01219	1.6
134.02170	1.8
134.05983	2.2
134.99637	56.1
135.01227	3.1
136.06154	4.4
137.00093	2.1
137.01862	3.3
137.02916	19.2
137.05934	2.1
138.02687	1.5
138.98987	1.9
139.01503	1.8
140.00166	3.1
140.02277	3.1
140.52402	1.6
140.98618	2.4
142.02036	2.0
143.00127	13.4
143.01863	2.9
144.98125	2.3
145.01706	2.1
145.03392	4.8
146.02257	4.1
146.04956	3.2
146.08089	2.4
146.99632	15.5
147.01288	3.1
147.03087	2.3
147.04944	3.4
148.02032	2.2
148.03812	2.4
149.01155	6.1
149.02919	3.1
150.00670	1.8
150.01804	2.8
151.02612	2.7
151.04497	3.7
152.07042	2.7
152.98586	2.3
153.00639	8.9
153.05746	4.4
154.03830	3.8
155.00175	8.0
155.04617	7.1
157.02550	4.4
157.52774	4.2
158.01299	2.6
158.08136	2.5
158.99669	11.3
160.97559	3.0
161.01178	16.0
161.02890	17.8
161.52919	1.9
162.01682	2.0
162.06331	2.1
163.02708	3.7
163.04431	3.2
165.00725	7.8
167.02757	1.9
169.50896	1.8
170.03423	1.7
170.05125	2.5
170.99585	5.7
171.00990	1.4
172.94379	1.8
172.97478	1.9
173.01230	17.6
173.02809	3.1
173.04703	1.5
173.09654	2.2
174.99135	2.7
175.00763	1.6
175.02795	2.8
175.04390	3.3
176.03365	1.7
177.00850	28.8
177.04121	6.7
177.05612	2.4
178.01141	2.0
178.02802	1.5
178.04916	2.8
179.02194	2.4
179.03992	3.3
182.99669	5.3
183.01381	3.9
183.04024	3.6
183.11336	1.5
183.54207	2.2
184.04578	1.9
185.53955	2.6
187.04451	1.8
188.97064	6.3
189.00702	12.3
189.02330	2.2
189.04190	1.9
190.95326	5.0
190.98593	11.3
191.02187	5.6
191.03842	2.7
192.04622	23.2
192.54813	5.3
192.90251	1.8
193.00153	5.5
193.03746	1.9
195.01683	2.9
197.09650	2.6
197.12801	4.7
201.00667	20.9
201.02434	37.7
201.05423	2.7
203.04073	3.2
203.55426	2.3
204.05452	2.3
205.00185	3.6
206.02525	2.7
206.06931	2.1
206.98160	2.4
207.01727	6.9
208.96468	3.3
208.99666	3.9
212.02258	2.3
213.00648	2.5
213.02434	1.7
215.03935	1.8
215.13954	1.8
217.03978	3.2
218.98570	2.2
219.01756	48.5
219.03534	8.3
220.02052	4.9
221.04854	3.2
225.06145	2.3
225.08823	6.7
225.12267	3.5
225.16055	4.2
227.02827	1.5
228.02185	1.6
229.01982	1.7
231.01691	2.2
231.03625	2.3
232.96458	2.2
233.03218	2.8
237.02788	16.0
238.03149	4.0
242.03305	2.3
243.01820	4.6
243.05531	2.7
243.09651	5.9
243.13342	11.9
243.16216	7.8
243.55360	1.7
244.04875	5.7
246.03603	2.0
251.04379	13.2
251.54187	3.3
252.04521	2.2
260.04062	1.8
260.95917	5.9
260.99548	10.6
261.03027	54.4
261.07782	3.0
262.03085	4.6
262.05795	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	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.05503	2.9
56.02638	1.4
56.38026	0.6
57.07067	0.7
59.04973	0.7
62.61614	0.5
63.58611	0.5
67.05499	24.7
69.07056	5.0
71.04984	100.0
71.66103	0.8
73.18672	0.6
78.12454	0.5
79.05480	12.0
81.07047	36.0
83.04959	2.8
83.08609	1.7
85.06525	5.8
87.04497	0.6
91.05464	8.8
93.03743	0.6
93.07033	23.8
95.04955	2.6
95.08594	17.6
95.09200	1.0
97.06517	4.1
99.08101	2.5
101.06001	0.6
105.07018	4.9
107.08581	7.7
109.06524	2.0
109.10182	1.6
111.08057	2.6
115.05421	0.5
115.07600	0.8
116.00966	0.6
117.07000	7.7
119.08598	1.5
121.10153	2.4
122.63691	0.6
123.08092	0.7
127.07579	0.9
129.07025	1.6
129.09079	0.6
131.08572	8.2
133.10120	8.2
135.08054	1.4
135.11676	13.9
142.07782	0.6
143.08527	0.7
145.10110	0.8
149.09587	1.2
149.13251	8.6
157.10144	1.2
159.11673	14.4
171.11734	1.8
173.13249	0.7
177.12729	7.1
185.13333	0.8
195.06575	1.8
198.06810	2.2
199.14952	0.8
209.15329	2.7
213.09068	4.9
241.04893	0.7
241.08585	8.4
241.10490	0.6
241.15891	1.2
241.19591	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	241.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.05518	5.3
57.07073	5.4
61.45836	0.9
67.05492	4.7
68.89516	0.9
69.07053	8.4
69.98475	3.6
69.98886	2.3
71.08596	1.6
79.05476	5.0
81.03403	1.2
81.07039	7.0
83.08598	4.2
91.05477	7.2
93.03711	2.0
93.07018	4.2
95.08566	5.0
98.20795	1.0
105.07011	8.7
107.08590	4.2
109.10121	1.7
110.63727	1.0
115.05434	2.4
117.07004	33.8
119.08612	6.4
121.10111	2.0
128.06210	5.2
129.06990	20.1
131.08551	31.7
133.10088	6.9
137.02318	1.1
141.07018	1.5
142.07771	3.9
143.08551	22.3
144.09288	2.2
145.10115	12.5
147.11685	6.8
156.09319	2.2
157.10101	18.7
159.11678	34.3
161.13202	4.0
169.10141	3.0
170.10793	1.7
171.11685	21.4
173.13237	37.5
183.11670	2.0
184.12430	1.3
185.09605	1.1
185.13225	32.3
187.14806	3.2
195.06409	2.1
197.13132	1.0
198.06757	5.8
199.14789	35.8
212.04651	1.1
212.15431	1.0
213.09065	13.6
213.16377	4.7
214.09476	1.0
215.64145	1.0
226.06314	1.8
241.04984	1.0
241.08589	23.8
241.19485	100.0
242.08894	1.7
242.19803	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	241.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
57.07067	5.9
67.05491	5.3
69.07052	7.8
71.08627	1.3
79.05473	5.3
81.03450	0.8
81.07045	6.8
83.08597	4.4
91.05468	10.0
93.03720	1.0
93.07034	4.8
95.08586	5.6
97.10172	1.1
98.20664	2.0
105.07018	10.7
107.08563	3.1
109.10143	2.0
115.05412	2.3
117.07002	38.0
117.23937	0.9
119.08563	8.2
121.10111	3.2
128.06229	4.3
129.06981	26.5
131.08549	38.5
131.32730	0.9
133.10114	8.2
135.11652	0.9
139.49638	0.9
141.06964	2.6
142.07751	4.8
143.08540	26.1
144.09308	1.3
145.10100	19.8
147.11665	7.6
155.08504	2.0
156.09305	2.2
157.10110	19.1
159.11674	44.6
161.13281	2.9
169.10104	2.6
170.10826	2.4
171.11671	28.6
172.12199	1.2
173.13240	37.3
183.11610	2.0
185.05983	0.9
185.13228	34.3
187.14807	4.2
195.06476	2.3
197.13173	0.9
198.06787	5.3
199.14798	40.0
200.15298	1.3
213.05612	0.9
213.09073	13.2
213.16258	5.6
223.16881	1.1
226.06197	1.1
241.08575	23.6
241.19481	100.0
242.09064	1.4
242.19861	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	241.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05505	4.9
56.02643	0.9
57.07074	1.9
65.03924	0.9
66.53951	0.8
67.05138	1.4
67.05495	26.3
68.41007	0.8
69.07056	5.6
70.35379	1.8
70.35793	2.5
71.04983	100.0
79.05485	13.0
81.07046	41.5
83.04962	2.6
83.08600	3.1
84.93310	0.7
85.06543	5.9
91.05476	11.4
93.03695	1.5
93.07032	27.7
95.04950	3.3
95.08595	19.6
97.06535	4.9
97.10144	1.1
97.19071	0.8
99.08086	2.4
104.90303	0.7
105.07028	7.6
107.08582	9.7
109.06491	2.6
109.10158	1.8
109.16517	0.7
111.08072	3.0
112.17564	0.9
115.05476	1.1
117.07000	11.1
119.08561	3.0
121.10179	2.3
123.08022	0.8
125.09634	0.8
128.06158	1.2
129.06993	5.4
129.09093	1.1
129.53856	0.8
131.08553	10.6
133.10127	8.4
135.08116	1.3
135.11679	16.7
141.07004	0.8
142.07741	1.5
143.08542	5.7
145.10085	2.7
147.11682	1.0
149.13228	9.3
157.10100	5.4
159.11670	18.1
161.13152	1.2
163.09286	0.9
171.11696	4.8
173.13240	3.0
177.12743	8.5
183.11781	1.0
185.13277	6.4
195.06468	3.5
198.06758	3.5
199.14783	6.5
203.00764	0.9
205.87152	0.8
209.15378	3.5
213.09135	9.9
226.06189	1.1
241.04880	1.1
241.08601	16.2
241.12169	1.2
241.15741	2.5
241.19516	17.2
242.28439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
57.03410	0.5
58.06593	18.3
60.08145	1.6
60.30185	0.4
61.02909	0.8
62.16880	0.4
67.05492	0.4
69.03413	0.4
70.06581	2.9
71.10990	0.9
73.02905	0.8
73.55771	0.4
81.03383	0.5
83.56363	0.4
84.08124	8.3
85.02874	0.5
87.04467	0.4
94.06521	0.6
97.02885	0.5
98.09667	2.6
98.20850	0.4
98.97566	0.8
100.07613	0.6
104.10726	47.2
116.07065	0.8
116.10719	0.4
119.01871	0.6
126.05517	0.6
126.09126	0.5
128.10689	4.5
131.01820	0.5
143.01961	0.5
144.10153	1.7
144.11160	0.3
145.03369	0.5
148.88280	0.3
152.07039	0.6
161.02931	0.4
168.10153	1.0
195.11230	0.5
196.09683	4.9
232.74274	0.4
241.11926	8.3
241.15436	100.0
242.07866	1.5
242.15788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05507	0.2
56.96560	2.4
57.03429	0.4
58.06591	17.5
61.02900	0.7
68.84084	0.2
69.03406	0.7
70.06221	0.3
70.06580	3.8
70.67447	0.2
70.98097	0.5
71.04966	0.3
71.33383	0.5
72.08136	0.5
73.02851	0.2
73.99627	0.2
74.06047	0.2
81.03381	0.7
84.04464	0.3
84.08129	10.8
85.02882	0.5
87.76073	0.2
91.05462	0.4
97.02878	0.6
98.06052	0.5
98.09671	1.9
98.97570	3.2
100.11210	0.3
101.90575	0.2
106.00990	0.2
111.04439	0.2
114.05496	0.3
116.07085	0.5
116.98612	2.2
119.01882	0.3
123.04426	0.4
124.07558	0.3
126.05477	0.4
126.09108	0.3
128.10706	4.0
128.98576	0.2
131.01871	0.4
134.99614	1.0
135.04315	0.2
137.05968	0.4
144.10167	1.4
150.01784	0.2
151.40707	0.2
152.07037	0.3
152.10730	0.2
156.01764	0.3
168.10176	0.9
177.00607	0.3
190.01270	0.3
190.98659	0.5
195.11987	0.3
195.98685	0.2
196.09680	4.8
199.02031	0.2
205.00209	0.2
213.09030	0.4
213.15904	0.4
217.00163	0.3
217.55556	0.2
219.01820	0.3
238.31866	0.2
241.15433	100.0
242.15790	2.3
258.99792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.07058	1.6
65.03938	1.2
65.59132	0.6
67.05497	19.6
69.07059	7.3
71.04968	1.1
71.58482	1.0
79.05480	8.1
81.07047	21.6
83.04959	0.8
83.08598	2.7
89.06007	1.7
91.05468	7.7
93.07024	2.5
93.27342	0.7
95.04932	1.5
95.08602	4.2
97.06514	1.3
99.04448	0.8
99.08075	0.7
103.05436	0.9
105.07026	4.2
107.08601	1.3
109.10134	2.0
115.05434	13.6
117.07014	10.0
119.08620	3.3
121.10133	0.7
123.04454	1.3
127.68056	0.6
128.06194	5.5
129.06987	29.0
131.08549	7.7
133.08560	1.5
133.10115	3.4
137.05948	1.8
141.06972	21.6
142.07774	4.4
143.08542	13.1
145.10126	3.8
147.11621	1.3
153.07004	2.3
154.06342	1.4
154.07751	4.8
155.08533	25.5
156.09293	2.2
157.08896	1.1
157.10121	17.4
159.11678	11.7
161.05951	3.1
165.06978	1.3
166.07739	0.6
167.08569	4.4
168.09288	4.5
169.10097	24.5
171.11668	31.5
172.12109	0.7
173.13235	5.7
178.07794	1.0
179.08525	2.7
180.50856	0.7
181.10117	4.7
182.10902	2.0
183.11674	48.3
183.77463	0.7
184.12105	0.9
185.13220	4.9
195.11775	3.1
195.13271	0.7
196.12407	3.7
197.13234	37.5
198.13910	2.1
207.08026	0.9
208.08746	0.9
209.13280	0.8
210.13985	1.8
211.07649	0.8
211.11125	1.0
211.14796	9.5
221.15269	0.8
224.08295	1.7
224.15419	0.7
239.06927	2.6
239.10739	16.2
239.17917	100.0
240.18234	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	240.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89273	2.3
55.05499	2.8
56.00546	2.0
56.96550	2.8
57.07053	4.7
57.83514	2.3
65.03931	5.3
67.05498	4.6
69.03432	2.9
69.07043	3.7
69.85404	15.1
70.06582	4.1
71.04994	4.3
71.08134	2.0
71.08653	2.6
79.05466	3.7
81.03396	2.6
81.07063	5.9
83.08615	4.1
84.08127	4.9
91.05449	3.3
92.05002	5.3
95.03526	1.9
95.04962	3.4
95.08582	4.3
98.20559	2.2
107.01269	2.6
107.04948	2.7
107.46527	2.6
110.06019	4.2
111.05438	2.5
120.04475	8.3
121.02799	3.4
126.05496	3.6
131.03670	2.8
132.04439	26.3
138.05495	6.7
139.06290	4.3
142.08606	5.7
148.03911	27.8
149.04710	41.9
150.05470	5.9
151.04019	2.2
153.04195	4.8
160.03925	5.8
162.05405	5.7
164.03432	3.8
166.04988	20.2
167.05779	8.9
176.03387	12.8
177.04179	28.6
177.05481	2.7
178.04968	100.0
182.04546	3.1
185.95143	2.2
190.04945	10.5
192.02905	7.2
193.03584	3.0
194.04448	74.9
195.05223	11.5
205.03676	55.9
206.04433	36.4
222.03885	14.9
223.04639	15.8
240.04816	20.4
240.08777	5.2
240.12299	5.1
240.23245	3.4
241.08791	2.7
255.43620	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	239.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55376	0.5
55.01853	1.0
55.05490	2.0
55.05894	0.6
56.05016	2.3
56.96554	1.8
57.07061	1.6
65.03915	1.7
67.05498	3.3
69.07055	2.1
70.06582	1.4
70.07898	1.5
70.08313	1.5
71.04988	3.0
71.05337	0.6
71.08632	0.9
72.08157	0.7
79.05502	1.5
81.03423	0.8
81.07041	3.9
82.06589	0.8
83.08606	1.6
84.04493	49.2
84.08123	2.5
85.02890	1.5
91.05462	0.7
92.04991	6.5
95.04950	1.8
95.08599	3.1
96.04466	0.7
96.08089	0.6
97.02888	0.7
97.06511	0.7
97.37233	0.6
102.05535	1.4
103.05466	1.0
103.75505	0.6
105.07026	0.8
107.05003	0.9
107.08596	0.8
109.02845	0.6
109.06506	0.8
109.10153	1.6
110.06028	100.0
111.04430	1.4
111.06346	0.7
119.04885	0.8
119.08589	0.7
123.08055	0.7
123.11673	0.8
127.03930	0.7
130.04988	14.5
131.04958	0.8
133.06467	1.2
134.99605	1.0
137.05991	1.4
147.04427	1.6
149.05923	0.8
151.03888	0.9
151.07518	0.8
153.09109	0.7
154.06248	1.3
158.05934	1.2
165.07129	0.8
169.08603	0.6
175.03975	1.0
175.08685	1.3
176.07034	3.4
177.05453	1.8
191.00581	0.7
193.04854	0.9
203.03369	0.7
211.07597	0.8
221.04480	1.6
222.07564	3.1
225.70795	0.5
239.09088	2.2
239.10982	0.9
239.17772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1063
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
55.01865	0.5
55.05490	0.8
57.07049	1.0
65.03917	1.3
67.05491	2.8
70.49261	1.7
79.05485	2.1
81.07051	2.1
81.09656	0.4
83.04963	0.5
83.08627	0.7
89.06023	0.7
91.05468	28.1
93.07016	1.3
93.16094	0.5
95.04957	2.2
95.08595	2.0
99.04447	0.7
103.05450	3.9
105.07014	8.5
105.16357	0.4
107.04928	2.7
107.08559	0.8
109.06524	1.1
109.10155	0.8
109.60002	0.5
111.04436	0.8
115.05441	66.2
117.07011	8.3
119.08556	1.5
121.06487	0.6
123.04421	10.7
125.05992	0.8
128.06245	1.1
129.06995	4.9
131.04898	2.4
131.08542	0.6
133.06480	2.2
133.10127	1.8
135.04433	0.7
137.05948	10.6
141.06995	2.5
142.07758	0.8
143.08531	1.2
145.10078	1.2
146.03668	0.8
147.04349	1.5
149.05956	3.0
153.06976	1.3
154.06279	0.8
154.07764	0.6
155.08490	2.7
157.10114	1.6
159.11650	1.0
161.05959	22.6
165.06976	2.7
166.07761	1.1
167.08559	2.0
168.09325	1.4
169.08675	0.8
169.10068	4.4
171.11618	2.6
174.06758	0.6
178.07762	8.7
179.06985	1.0
179.08543	14.7
180.09373	0.7
181.06448	4.3
181.10117	1.9
182.07007	0.6
182.10794	0.6
183.08139	0.7
183.11700	5.0
194.07274	0.7
195.08061	1.4
195.11722	1.0
196.08820	5.6
196.12462	0.6
197.13217	4.4
206.07190	1.2
207.08022	5.4
208.08791	7.0
209.05975	1.9
209.09604	0.6
209.13354	0.5
211.07587	1.2
211.11147	7.0
211.14891	0.8
221.09520	1.8
221.15251	0.7
223.07526	3.6
224.08289	12.8
224.15613	0.5
237.09082	0.7
239.10640	100.0
239.17908	11.1
240.10880	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
53.30260	0.8
55.01868	3.4
55.05507	18.4
57.03432	4.1
57.07069	1.2
60.73014	0.9
65.03937	1.4
67.05499	16.1
68.99767	1.2
69.03423	10.4
69.07072	2.3
71.01352	2.4
71.04980	5.4
71.58462	1.5
71.97858	0.9
74.30930	0.8
79.05486	5.7
81.03432	3.2
81.07046	9.8
83.04971	100.0
83.08621	1.1
85.02888	7.2
89.06039	1.2
91.05475	22.0
93.07056	3.2
95.04957	20.8
95.05526	1.3
95.08628	3.7
97.06563	4.2
99.04443	8.5
103.05483	2.8
105.07009	12.1
105.07648	1.2
107.04922	4.7
107.08616	2.2
107.18894	0.9
109.02898	4.1
109.06512	4.7
109.10169	1.3
111.04427	26.7
111.05153	1.6
112.05333	1.1
113.06001	7.7
115.05442	63.5
117.07001	8.6
119.08610	3.8
121.06493	6.4
123.04432	10.5
123.08087	3.0
125.06024	2.4
127.03912	9.0
128.06270	1.8
129.06989	7.5
131.04980	1.6
133.06476	4.9
133.10184	2.2
135.04419	4.5
137.05946	12.4
139.03935	1.7
141.05534	1.2
141.07021	5.6
142.07794	1.1
143.08612	3.4
145.10161	2.2
147.04448	1.1
147.08072	2.0
149.06018	4.0
151.07590	3.8
153.05463	14.8
153.06915	1.5
154.06296	1.7
154.07779	1.0
155.08556	7.3
157.04977	8.1
157.10097	4.7
159.11700	2.3
161.05968	18.9
161.07190	1.3
165.05658	1.2
165.07085	3.2
165.09143	1.5
167.08594	1.4
167.94800	0.9
169.10094	7.5
171.11662	8.0
175.07710	1.0
178.07761	7.3
179.07089	1.6
179.08514	14.1
181.06590	2.6
181.10059	4.4
183.11661	8.6
185.13261	1.0
193.08739	2.5
195.11708	1.1
196.08759	4.7
196.12608	1.1
197.13226	8.9
206.07230	1.1
207.08035	4.5
208.08827	6.5
209.06093	1.3
209.13245	1.1
211.07684	2.0
211.09509	1.3
211.11256	5.7
211.14839	1.8
221.09885	1.1
221.15398	1.3
223.07690	3.5
223.39412	0.9
224.08270	10.3
224.73148	0.9
239.06900	2.9
239.10779	81.1
239.17928	23.9
240.11017	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	239.0911
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01858	1.7
55.05501	1.6
56.96542	0.7
57.03413	1.7
57.07053	1.5
65.03938	1.1
67.05495	4.2
69.03410	1.9
69.07048	1.6
70.73500	2.0
70.73859	0.8
71.04972	2.2
72.08125	1.2
77.03897	0.7
79.05482	5.3
81.03387	0.9
81.07053	4.6
83.04979	1.7
83.08632	0.8
84.08125	1.8
87.93319	0.6
89.05997	0.7
91.04931	1.5
91.05470	17.5
93.07015	2.7
95.04967	2.5
95.08614	4.0
95.09139	0.7
97.06518	1.2
98.97549	0.9
99.04430	1.4
101.71739	0.6
103.05450	2.2
105.03394	4.0
105.04507	0.7
105.07021	25.2
107.04976	1.5
107.08559	2.0
109.02802	0.8
109.06512	2.2
109.10137	2.8
110.41682	0.7
111.04444	0.8
111.08100	0.8
112.30542	0.6
119.04932	30.3
119.08578	2.5
121.06498	1.6
121.10100	1.0
122.03645	0.9
123.04401	1.9
123.08060	1.1
124.05169	0.9
124.97695	0.6
125.05957	1.0
129.06950	0.8
131.08546	0.8
133.06483	23.4
133.10106	1.3
135.08018	1.1
136.06606	0.7
137.05962	28.1
137.07021	1.4
137.09596	1.2
143.08473	0.7
145.10202	0.8
147.04390	100.0
147.11627	0.9
149.09601	0.8
150.06773	0.8
150.85469	0.7
151.07503	1.8
154.06174	0.8
155.08525	1.6
157.10072	0.9
159.11690	0.7
165.07098	3.1
165.09099	46.6
176.03435	0.9
177.05370	0.8
179.10638	1.3
183.07997	1.9
185.03954	0.9
185.75368	0.7
193.12242	0.7
203.14232	0.9
207.18562	1.4
211.07538	2.0
221.08092	1.3
221.11720	1.0
221.15306	1.2
239.03436	1.1
239.06967	14.7
239.08917	2.0
239.16461	2.1
239.21153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.07
Annotation	Primuliten
Peak:m/z	Relative Intensity
53.03925	0.2
55.01860	0.1
55.05474	0.2
58.93533	0.1
59.08402	0.1
59.67684	0.1
63.90189	0.2
65.03925	0.9
65.72590	0.1
67.05487	0.2
68.99415	0.2
68.99779	2.6
69.03400	0.4
70.85154	0.2
70.85476	0.3
73.54404	0.1
81.03394	0.6
95.01290	0.3
95.04917	0.2
103.05452	2.7
105.03397	0.8
109.02861	0.6
109.10103	0.2
111.04427	0.9
115.05415	0.3
118.85977	0.1
121.03952	0.2
123.11635	0.2
127.03940	0.3
129.02359	0.2
129.03343	6.3
137.02315	7.9
141.06963	0.1
152.06206	0.2
153.07028	0.7
155.03372	2.4
155.08553	0.6
165.06964	0.5
171.07932	0.3
183.08163	0.2
211.07404	0.8
239.06984	100.0
240.07339	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	239.0545
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
53.03932	10.2
53.61463	5.2
55.05502	10.9
57.07069	9.3
64.40575	5.9
65.03922	7.1
67.05492	27.9
69.03419	7.1
69.07051	22.2
69.91078	11.9
69.91495	27.6
71.04987	17.5
71.08627	8.7
76.89268	5.7
79.05474	23.1
81.07032	34.0
83.08591	11.9
84.08140	10.8
89.06020	81.0
91.05461	18.9
93.07002	8.9
95.04949	12.2
95.08582	22.2
97.06461	6.7
99.04436	6.4
103.05434	53.3
105.07020	12.4
107.04945	20.0
107.08533	7.1
109.10138	14.3
110.03629	10.5
110.06042	6.8
119.04910	14.8
121.06416	6.9
123.04426	38.1
123.08005	9.2
123.11745	8.5
125.05981	7.3
128.38902	6.1
131.04910	76.7
133.08557	27.6
137.02313	9.2
137.05945	8.7
147.04387	95.1
149.05948	32.8
159.04433	20.9
165.05469	22.2
175.03889	100.0
176.04486	9.5
177.05411	84.7
193.04933	39.3
193.08609	9.2
203.03378	84.4
207.18623	14.9
221.04385	37.9
239.08899	24.3
239.17580	7.1
239.21143	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	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.33719	1.6
53.03930	4.0
55.01866	4.3
55.05507	16.2
57.03430	9.1
57.07057	4.9
57.59193	1.7
62.10065	1.7
65.03939	2.4
67.05496	18.3
69.03422	34.5
69.07060	13.2
71.04984	64.4
71.58752	3.0
72.05326	1.8
77.03938	2.8
79.05489	17.6
80.80840	1.9
81.03429	1.7
81.06557	3.5
81.07046	67.1
83.04980	9.5
83.08596	6.4
85.06519	8.9
91.05460	12.7
93.07040	32.2
95.04948	12.8
95.08607	21.6
96.43076	1.9
97.02860	5.5
97.06506	12.3
97.10120	5.1
99.07510	2.9
99.08089	21.1
102.36622	1.8
103.05495	2.4
105.03385	49.7
105.07029	35.5
105.57182	1.8
107.04923	2.8
107.08587	34.2
109.06510	31.8
109.10143	34.4
111.04391	2.0
111.08072	5.4
113.09648	2.2
115.05441	2.3
117.06983	5.1
119.08562	12.1
121.06485	4.1
121.10134	18.4
123.04424	3.3
123.08044	6.0
123.11700	19.9
125.09611	14.3
127.07523	7.5
127.11184	74.0
129.06998	2.6
131.04913	2.9
131.08510	8.7
133.10114	50.2
135.08014	5.8
135.11670	7.7
139.11143	7.2
143.10635	14.6
145.06488	1.9
145.10109	25.7
147.11682	9.2
149.09511	2.4
149.13251	4.2
151.07462	2.3
151.11165	100.0
155.10649	26.9
159.11671	13.0
161.09692	2.9
161.13278	3.8
163.03758	2.1
163.11185	5.0
163.14796	2.2
163.58208	2.1
166.07661	2.2
169.05168	4.9
173.13283	4.9
177.05449	2.6
177.12703	4.1
191.06931	2.8
193.04898	2.6
194.07278	2.2
201.12717	2.4
201.16344	9.7
219.06488	5.5
219.10069	3.1
219.17413	10.8
237.05554	2.4
237.07294	3.8
237.09230	4.2
237.12907	3.0
237.14790	3.5
237.16434	4.0
237.18660	14.8
237.22084	5.1
238.18184	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	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01865	2.2
55.05510	12.9
57.03425	5.4
57.07071	3.1
67.05499	11.3
69.03423	31.1
69.07059	11.6
69.09008	1.8
69.41000	14.3
69.41418	5.3
71.04984	68.3
79.05491	11.1
81.07050	58.1
83.04937	2.0
83.08602	2.7
85.06527	5.6
91.05479	12.4
93.07041	24.1
95.04977	12.7
95.08602	13.6
97.06510	7.2
97.10156	3.6
98.20718	2.8
99.08085	13.0
105.07019	34.5
107.08579	27.5
109.06509	27.3
109.10145	22.3
119.08548	9.8
121.10126	10.2
123.08043	6.5
123.11707	12.2
124.44423	1.9
125.09637	14.1
127.07513	4.4
127.11181	77.1
131.08511	8.0
133.10118	46.4
135.11688	3.0
139.11168	7.0
143.10657	11.9
145.10107	22.1
147.11687	8.6
149.13206	2.9
151.11153	100.0
151.29269	1.9
155.10670	26.4
159.11678	8.5
161.13141	2.5
163.11093	2.8
169.05078	1.8
173.13202	2.7
175.14880	2.0
177.12769	2.1
177.16374	2.5
201.16324	7.2
219.17400	9.0
237.07526	4.7
237.18497	12.7
259.46780	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00293	2.7
53.03925	3.5
55.01852	7.0
55.05511	20.8
56.96540	6.2
57.03409	8.1
57.07064	6.2
59.04992	3.1
65.03929	3.0
65.20963	1.9
67.05498	26.9
69.03423	28.2
69.07067	15.7
69.42151	19.6
71.04984	50.5
79.05491	24.0
81.03375	3.1
81.07050	100.0
83.04947	8.0
83.08598	8.4
83.32423	2.0
85.02901	2.2
85.06519	6.4
91.05484	19.5
93.07040	38.5
95.04957	13.5
95.08593	30.1
97.02859	13.3
97.06525	14.8
97.10165	6.3
98.21452	3.8
98.97540	6.3
99.04420	2.6
99.08083	42.8
103.05443	3.3
105.03384	22.1
105.07023	44.1
107.04996	2.3
107.08585	35.3
109.06508	28.8
109.10149	41.0
111.08043	2.9
116.98629	3.3
117.07015	9.9
119.08547	23.3
121.06549	2.6
121.10123	22.1
123.08044	9.9
123.11703	21.1
125.09619	15.7
127.07542	18.8
127.11178	53.9
129.07010	2.4
131.04944	2.3
131.08537	12.6
133.06554	2.1
133.10114	63.1
135.08058	3.8
135.11673	12.2
137.09567	5.9
139.11151	7.1
143.10663	10.9
144.05664	3.5
145.10106	31.7
147.11667	15.7
149.09636	2.5
149.13203	7.2
151.11171	89.6
155.10677	19.6
159.11673	11.2
161.13235	9.5
163.11198	3.4
165.12798	3.8
169.12338	4.8
173.13232	6.5
175.14861	2.7
177.05519	2.7
177.12695	3.8
187.07465	3.1
191.06969	2.8
191.14282	2.5
191.17911	3.5
201.16379	10.1
207.09711	2.6
209.09579	8.0
219.06470	3.0
219.10194	4.8
219.13840	4.9
219.17447	25.9
237.07349	3.6
237.09428	5.4
237.14757	5.4
237.18504	28.8
237.22095	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	237.1482
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03928	0.6
53.40148	0.3
55.01852	0.5
55.05500	2.2
57.03425	0.6
57.07069	0.6
59.04988	0.3
65.03915	0.5
67.05213	0.3
67.05504	3.1
69.03429	0.4
69.07063	2.1
69.55473	1.3
69.55881	0.7
71.04969	1.4
79.05477	4.8
80.51111	0.2
81.03399	0.5
81.07047	9.0
83.04958	0.9
83.08601	1.0
85.02885	0.3
91.05479	2.9
93.07033	3.0
95.04955	8.7
95.08594	2.7
95.99593	0.3
97.02903	0.4
97.06519	0.8
97.10135	0.4
99.04454	0.4
100.77647	0.2
104.11874	0.3
105.03350	0.9
105.07014	1.6
107.04929	1.1
107.08578	1.5
108.05719	7.6
109.06502	20.6
109.10140	0.9
111.08048	0.5
117.06985	1.3
119.08550	0.8
121.06478	3.0
121.10096	1.0
122.19935	0.3
123.04408	0.6
123.08038	0.9
123.11669	0.5
125.09624	0.6
131.08563	1.1
133.10101	0.7
135.08015	1.0
135.11694	0.5
137.05943	0.6
137.09593	0.6
143.08553	0.3
145.10068	0.7
149.02310	1.2
149.05905	0.3
149.09651	0.4
149.13254	0.4
151.07477	0.3
151.11169	0.3
153.06937	0.3
155.10576	0.3
159.11662	0.8
161.09605	0.3
165.06947	0.4
165.77269	0.3
171.93484	0.3
173.13181	0.4
177.05437	0.3
177.12704	0.8
179.08540	0.3
181.10133	0.3
191.06999	0.4
191.14285	0.4
193.04939	0.6
193.10187	0.4
194.07251	0.5
195.41064	0.2
207.11691	0.3
209.09608	0.9
209.13242	0.5
219.13821	1.2
237.14822	100.0
238.15161	2.5
238.17744	0.5
255.14375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03926	2.0
55.01854	3.1
55.05504	9.9
56.96545	1.3
57.07066	16.7
60.58511	1.3
65.03938	2.5
67.05495	61.4
68.99792	2.9
69.03410	2.1
69.07057	6.9
71.04968	1.7
71.59196	2.3
79.05482	13.9
81.03405	2.9
81.07047	63.4
83.04971	11.6
83.08592	4.6
85.06461	1.4
91.05463	4.1
93.07024	15.5
95.04936	6.5
95.08595	100.0
97.06533	4.1
97.10181	1.6
105.07001	4.5
107.04911	3.1
107.08574	9.3
108.04514	1.5
109.02838	5.3
109.06499	3.3
109.10135	39.6
111.04433	16.5
111.08044	2.6
113.05998	1.6
117.06992	2.5
119.08546	4.4
121.06451	2.3
121.10105	11.7
123.11654	6.8
125.05986	4.6
125.09591	2.8
131.08525	4.5
133.10130	2.9
135.04300	1.9
135.08015	1.7
135.11670	10.1
137.05922	1.8
137.09610	5.3
145.10092	4.7
149.02374	2.0
149.09557	4.9
149.13187	2.5
151.11176	2.1
153.05457	9.6
153.09084	2.3
159.11673	4.8
161.13123	1.6
163.03793	2.2
163.07506	2.4
163.11156	6.2
165.06915	1.8
167.10562	2.7
175.14914	1.6
177.05609	1.8
177.16313	2.4
179.08499	1.9
181.04950	4.7
181.12227	5.0
184.61012	1.3
191.10651	10.3
195.10152	2.1
195.11789	2.0
195.13750	2.6
201.16402	4.3
207.11673	1.5
209.09711	2.7
209.11687	40.8
210.11986	1.8
219.13725	7.0
219.17419	2.4
222.10352	1.8
237.05568	2.4
237.07333	2.6
237.09247	3.0
237.11113	3.0
237.14590	13.6
237.18463	16.0
237.22101	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
55.05501	2.5
56.92538	0.8
57.03428	9.7
57.07079	1.3
65.03904	1.3
67.05487	2.8
67.71225	0.8
69.03420	1.9
69.07063	2.7
71.04992	2.2
71.61882	0.8
72.59702	0.8
73.53616	0.7
75.04465	2.4
75.84441	0.8
79.05483	4.6
81.03393	1.1
81.07053	5.3
83.04975	2.6
84.08112	2.1
85.06531	1.0
91.05468	5.0
92.43882	0.8
93.07040	4.2
95.04948	2.8
95.08586	3.3
97.06530	1.4
99.04420	0.8
102.04665	5.4
103.05459	43.4
105.03390	3.4
105.07017	10.4
106.02921	1.0
107.04937	2.5
107.08578	3.2
109.02885	1.3
109.06512	2.9
109.10117	1.1
111.04431	1.1
111.08045	1.0
115.05453	2.1
117.07010	2.0
119.04919	2.4
119.08593	2.4
120.08086	2.1
121.06487	3.0
121.10108	1.9
123.04404	1.2
124.03941	0.9
125.09584	0.9
128.06221	1.0
129.06970	1.0
130.04137	18.7
131.04913	100.0
131.08536	1.5
132.05350	0.9
133.06479	6.8
133.10161	2.0
134.05885	0.9
135.04384	2.2
135.08023	2.4
135.11607	1.2
137.05960	3.1
137.09624	1.2
145.06516	1.3
145.10127	1.7
147.04398	2.5
148.05173	99.5
149.05582	1.7
149.09612	1.1
153.09036	0.9
157.06519	1.1
158.07161	6.0
159.04396	1.1
159.08029	1.4
160.05199	2.4
161.05963	15.2
161.09669	1.0
161.13185	1.0
162.06740	9.3
163.03934	6.4
163.07523	59.1
173.09625	1.4
175.07533	2.7
177.05510	1.8
179.06906	1.3
181.08582	1.5
181.10048	1.1
189.09206	1.0
191.03380	11.2
191.06987	1.2
191.08578	2.3
194.07242	2.4
201.09085	2.1
204.07771	1.7
209.09535	4.2
219.02887	1.8
219.06410	1.6
219.10149	2.9
219.13670	2.2
237.07005	0.7
237.09268	8.8
237.11159	1.4
237.14822	3.5
237.22092	2.1
238.06381	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	237.1231
Annotation	Phe Ala
Peak:m/z	Relative Intensity
55.01857	0.5
55.05492	0.8
56.96550	1.8
57.03420	1.0
57.07064	0.8
58.39843	0.3
60.04514	0.4
61.07767	0.2
63.40443	0.2
67.05490	1.0
69.03405	0.5
69.07044	0.8
69.21181	0.3
69.76604	1.8
70.06574	0.4
71.04957	0.4
77.03874	0.3
79.05472	1.2
81.03391	1.1
81.07046	1.0
83.04948	0.9
83.08607	0.6
84.04490	0.4
84.08140	0.9
85.06531	0.4
91.05470	1.6
93.07021	2.9
94.06583	0.2
95.04942	0.8
95.08598	0.7
96.99150	0.2
97.06516	0.6
97.10142	0.3
98.97558	0.6
99.08099	0.4
101.02331	0.2
103.05450	7.4
104.05737	0.3
105.03393	0.4
105.07029	1.3
106.05019	0.7
107.04881	0.6
107.08576	1.0
109.02856	0.6
109.06471	0.4
109.10139	0.4
110.07072	0.3
111.08049	0.3
116.98605	0.6
117.07016	0.5
118.06509	0.4
118.48858	0.3
119.08520	0.4
120.08087	100.0
121.06544	0.4
121.08428	1.2
121.10120	0.7
123.04447	0.4
123.11646	0.3
124.11206	0.5
125.09613	0.4
129.10229	0.4
131.04897	1.8
133.02859	0.3
133.06441	1.0
133.62381	0.3
134.03578	0.3
135.03398	0.4
135.04379	0.5
135.08038	0.9
135.11673	0.3
137.05956	1.0
145.06464	0.3
146.06004	2.5
146.09573	0.7
147.04385	0.7
149.05949	0.4
151.07506	0.4
153.05475	0.3
159.08017	0.4
163.03909	0.7
163.07547	1.3
164.07056	0.8
165.05493	0.4
177.05482	1.0
177.12694	0.3
191.03375	0.9
191.06879	1.4
192.10176	0.9
193.04919	0.3
201.05989	0.5
207.02846	0.4
208.03163	0.3
209.03291	2.1
209.08051	0.4
219.02937	0.3
219.06560	1.1
237.02412	0.5
237.07478	2.1
237.12274	2.2
237.14861	0.5
237.19559	0.9
237.22133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.96562	0.7
57.07073	5.0
58.02961	0.5
59.04993	3.3
60.04519	38.8
61.02917	0.5
65.03921	0.5
67.05495	6.4
69.07074	2.9
70.05714	2.1
70.70698	0.4
83.04987	0.8
84.08157	0.6
85.06534	6.1
86.02408	3.5
86.09643	0.6
87.08105	0.8
88.03981	4.1
95.04956	7.2
97.02876	1.1
100.07613	0.9
103.03907	0.6
103.07571	5.6
104.03447	0.7
106.05019	100.0
113.06010	0.9
116.03471	1.4
116.98579	0.5
120.08130	2.2
120.08884	0.4
123.04420	1.4
124.04757	1.7
131.03421	1.1
132.02928	4.7
134.03165	1.2
135.05525	0.4
135.85687	0.6
137.02350	0.5
151.03897	0.9
152.04170	0.8
154.08617	3.6
159.77324	0.5
163.03839	0.7
164.04195	1.0
166.02229	0.6
172.09645	2.7
179.03273	0.7
180.03703	1.6
180.10951	0.6
190.02090	0.6
190.08998	0.5
190.10701	2.1
200.09180	7.0
207.02823	1.8
208.03206	20.3
209.03429	0.8
218.10196	10.3
221.89146	0.4
224.02681	0.7
236.02736	3.1
236.11246	25.0
236.15076	1.1
236.17224	4.0
259.01956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.05484	1.6
56.96550	1.5
57.07053	1.7
67.05480	2.3
69.07045	2.7
69.84284	3.4
70.06562	1.2
71.04969	1.4
74.02436	3.4
79.05474	2.7
80.05028	0.8
81.03391	1.2
81.07037	2.9
82.02894	0.6
83.04964	2.3
83.08595	0.8
84.08117	1.4
85.02876	1.6
85.06531	0.9
91.05441	3.6
92.04982	0.6
93.07039	2.8
94.06562	3.5
95.04958	1.5
95.08586	2.6
97.06528	1.6
98.20763	1.2
98.97568	0.7
99.00828	0.9
103.05457	1.3
104.04968	0.9
105.03374	0.8
105.06990	1.7
107.04958	1.5
107.08574	1.7
108.04446	1.1
109.06513	1.0
109.10181	0.7
110.06009	1.8
116.98642	1.1
117.05706	0.6
118.06520	9.4
119.04906	1.2
120.04455	3.1
120.08088	14.0
121.06461	0.6
121.10128	1.5
122.06006	1.0
125.09556	1.2
127.03883	1.0
128.04958	5.2
130.06517	9.0
131.00121	0.7
131.04915	1.8
131.07339	1.5
131.08522	0.9
132.04477	1.3
133.05238	1.6
133.06468	1.2
133.10150	0.6
134.06010	1.6
134.99699	0.7
135.04382	1.4
135.07959	0.7
135.11664	1.2
136.07567	7.0
137.05936	1.0
139.03882	0.6
139.11209	0.6
144.08041	1.0
145.02802	1.0
145.07625	1.1
146.05989	100.0
146.64427	0.6
147.04385	2.3
147.06328	1.6
147.56148	0.5
148.03915	15.5
149.05948	1.2
149.09531	0.7
149.13278	0.8
150.05496	1.8
151.07501	1.2
157.07605	9.3
158.06075	1.2
159.09146	1.6
163.03954	3.6
163.06032	0.6
163.07515	1.4
164.07068	2.6
165.06845	0.7
166.08626	8.7
173.07111	3.2
174.05490	17.1
175.03865	1.2
177.09074	1.3
178.05019	1.3
182.99644	1.1
191.03441	3.6
191.06589	1.0
191.08159	18.4
191.14349	0.7
192.06555	4.4
193.08762	0.6
201.00699	2.7
201.12683	0.7
202.05025	3.6
203.08162	5.8
204.08955	0.7
209.03300	0.8
209.09525	1.1
219.03070	1.0
219.07748	1.5
220.05879	3.9
237.03835	1.4
237.08855	7.7
237.12679	1.4
237.14960	1.8
237.17706	0.6
237.21933	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	237.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01850	3.1
55.05492	4.2
56.05035	2.0
56.96556	52.8
57.03423	6.9
57.07056	2.1
58.06583	1.6
58.30555	1.0
59.04984	1.2
60.04514	2.6
60.95840	2.9
61.02916	3.0
65.03918	1.9
67.05482	5.3
69.03422	8.5
69.07046	4.4
70.06581	5.8
70.67231	1.8
70.67564	2.5
70.98101	3.4
71.01330	1.7
71.04984	2.3
71.95237	2.5
72.08125	4.3
73.02894	3.1
74.02426	5.6
74.06041	1.3
74.97597	1.4
79.05470	5.2
80.03061	1.2
81.03403	6.0
81.07032	4.5
82.06565	1.2
83.04960	4.5
83.08584	1.9
84.04474	1.3
84.08119	4.5
84.96014	7.4
85.02887	9.0
86.03649	3.1
87.04443	2.2
91.05455	8.5
93.07013	3.3
94.04168	3.1
95.04924	2.9
95.08588	4.0
97.02864	5.1
97.06525	1.6
97.96714	2.7
98.06022	1.3
98.97565	21.3
102.96900	1.2
103.05444	6.7
105.07015	7.4
106.04958	2.7
107.04901	10.1
107.08569	2.3
108.08094	1.2
109.02852	3.5
109.05213	1.2
109.10106	1.5
110.97569	2.3
111.04433	2.7
112.07582	1.8
113.02491	1.4
114.05500	2.3
115.05367	1.4
115.97823	1.9
116.98603	21.0
118.06550	1.9
119.01883	1.4
119.04907	4.7
119.08537	2.1
120.08085	9.7
121.02838	2.0
121.06453	2.8
121.10120	2.7
122.03701	2.2
123.04417	2.4
125.05996	1.3
126.02538	1.6
127.03941	2.8
128.04962	4.9
128.98560	5.5
131.00204	2.4
131.04906	15.9
133.06471	14.8
133.98831	1.6
134.06923	1.1
134.99635	12.1
135.04381	3.2
135.08049	1.7
136.02815	3.7
137.05960	55.2
138.06290	5.0
139.07431	1.3
143.00117	3.0
144.98111	1.4
145.06505	1.4
146.05984	100.0
146.99617	8.0
147.03366	1.3
147.04385	8.7
147.06372	2.1
148.03816	2.8
149.01175	3.4
149.05975	3.0
151.07526	5.3
153.00687	1.9
155.03514	1.4
158.01239	1.6
158.99638	3.5
161.01163	5.0
161.05945	4.7
162.99094	2.9
163.07587	2.9
164.06996	1.5
165.00647	2.8
165.05440	1.8
167.14146	1.4
172.95177	2.0
172.97546	1.2
173.01147	2.6
173.04620	2.8
173.07100	2.2
173.59438	1.4
174.05507	3.2
175.54875	1.5
177.00662	5.2
177.05443	3.6
177.09050	1.2
179.07039	6.8
183.04901	2.6
185.01250	2.8
185.02950	2.3
187.02751	2.0
189.00760	1.8
190.96315	1.9
190.98569	7.3
191.02222	3.6
191.08191	3.9
193.04497	1.4
193.53929	1.6
194.03522	1.4
195.01735	1.3
197.01158	1.4
199.01057	1.1
199.04366	1.5
201.00685	2.3
201.05920	3.1
205.00139	1.7
207.03273	2.4
208.99648	1.7
209.03256	2.5
210.04538	1.5
211.02696	2.7
213.00583	2.5
219.01678	2.4
219.08286	4.6
219.13776	1.1
220.05936	1.9
223.01105	2.1
224.06137	1.3
225.04285	3.2
226.01459	3.1
231.01585	1.3
232.01772	1.1
235.02693	4.9
237.02821	3.8
237.08862	4.8
237.12199	3.5
237.15697	1.7
237.22136	6.7
238.07024	1.4
238.10744	1.5
246.05659	1.8
251.04312	1.5
253.03795	4.3
255.01620	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	235.169
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02383	1.0
51.42332	0.7
53.03940	5.8
55.01873	1.0
55.05502	2.7
57.07072	4.7
59.94629	0.7
65.03940	1.7
67.05496	20.7
69.07049	3.3
70.75929	2.2
71.04981	1.1
77.03900	1.0
79.05485	33.1
81.07043	10.4
82.66114	0.7
83.05003	1.0
83.08614	1.1
85.06525	0.8
91.05469	38.9
93.07033	100.0
94.07380	1.0
95.04951	10.2
95.08591	7.1
97.06518	2.1
103.45602	0.8
105.04499	2.2
105.07014	6.0
107.08580	17.4
107.09262	1.4
108.06004	0.7
109.06474	0.7
109.10151	2.5
117.07043	1.8
119.08551	6.0
119.94822	0.7
121.06533	1.4
121.10136	25.3
123.08044	0.8
131.08556	2.7
133.10115	5.4
135.08046	3.0
135.11670	4.8
137.05838	0.7
143.08531	1.0
145.10104	1.2
153.09070	1.7
157.10043	1.7
161.09647	0.9
171.11671	1.7
173.13223	0.8
175.14792	2.7
179.10683	3.1
189.16428	1.4
199.14792	2.7
217.15892	3.4
231.08951	1.1
235.16911	30.3
236.17159	0.9
236.94478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
51.02383	0.8
53.03941	5.6
55.01850	1.5
55.05506	4.6
57.03432	0.6
57.07065	10.0
57.15305	0.5
65.03937	1.8
67.05492	24.6
68.75316	0.5
69.03419	28.0
69.07054	4.2
69.84942	0.9
69.85358	2.0
71.04993	1.5
79.05482	36.5
80.05807	0.7
81.03416	1.2
81.07046	16.9
83.04969	1.1
83.08605	2.1
85.06522	1.4
91.05467	42.8
91.29612	0.4
93.07031	100.0
94.07379	1.1
95.04958	12.0
95.08595	12.4
97.06510	2.5
97.10132	0.6
98.20702	0.6
99.08065	1.1
105.04497	2.2
105.06348	0.8
105.07018	9.3
105.28468	0.5
105.52118	0.4
107.04936	1.2
107.08580	21.0
109.06528	2.9
109.07122	0.5
109.10143	4.3
111.08056	0.7
115.45573	0.5
117.07016	2.0
119.08561	9.3
121.06488	1.7
121.10128	25.2
123.04408	1.1
123.08067	2.6
123.11677	0.9
129.06938	1.1
131.08562	3.6
133.10114	13.5
135.08044	2.9
135.11682	6.4
137.09631	1.3
143.08519	0.9
145.10106	1.4
147.08040	1.0
147.11676	1.9
149.09555	1.5
151.07498	0.6
151.11162	1.7
153.09027	0.7
157.10112	1.9
159.11699	0.5
161.05992	0.5
161.09581	1.0
171.11670	1.5
173.13181	0.8
175.11169	1.3
175.14847	3.1
179.10660	5.8
188.28804	0.5
189.12756	1.1
189.16438	2.9
193.12265	1.1
199.14786	3.5
207.02832	0.8
207.11842	0.6
207.17525	0.6
217.12291	0.6
217.15915	4.1
217.19461	1.6
235.05991	0.8
235.13106	1.3
235.16893	46.2
235.20642	2.0
236.17065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
50.01575	0.8
51.02372	1.2
53.03936	5.2
53.76309	0.6
55.01867	1.2
55.05510	2.9
57.07069	3.9
61.64777	0.5
65.03939	1.2
67.05496	20.2
68.50719	0.6
69.03429	0.6
69.07063	2.9
70.82617	1.2
70.82984	1.1
71.04974	0.8
77.03913	1.3
79.05481	30.6
81.03391	1.3
81.07047	8.1
83.08602	1.2
85.06554	1.2
85.97440	0.6
87.37066	0.6
88.81727	0.5
91.05464	35.0
93.07030	100.0
94.07354	1.3
95.04953	10.7
95.05523	1.2
95.08595	7.4
97.06519	1.2
99.08080	1.0
103.92356	0.5
105.04488	2.1
105.06992	5.3
107.08576	17.3
108.77129	0.6
109.06535	1.0
109.10130	2.7
117.06995	2.0
119.08548	5.8
121.10123	24.1
123.04441	0.8
123.08026	0.9
123.11663	0.6
129.06935	1.1
131.08563	3.0
133.10112	6.8
135.08015	2.6
135.11649	4.5
137.09689	0.8
139.03831	0.9
143.08508	0.9
145.10100	1.1
147.08034	0.6
147.11670	1.6
153.09056	1.3
157.10110	1.6
170.51987	0.6
171.11659	1.3
171.79538	0.5
173.13309	0.7
175.11058	0.8
175.14792	3.1
179.10643	2.5
189.16307	1.1
193.12062	0.6
199.14809	3.4
217.15822	2.7
235.16896	24.2
241.87221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65247	0.2
53.01335	0.2
55.01845	0.2
57.07049	0.6
65.03925	0.4
68.97556	0.2
68.99764	0.9
70.99809	0.6
77.03893	0.3
79.05472	0.6
81.03410	0.4
89.03905	1.5
91.05475	0.4
95.04917	0.6
105.03370	1.3
107.04933	1.0
109.02856	0.5
117.03355	0.8
121.02824	0.8
123.04416	12.1
133.02835	10.0
135.04402	2.7
137.02330	1.0
145.02872	0.3
150.03123	0.3
151.03894	4.2
153.01802	0.9
161.02335	1.5
161.03593	0.3
163.02484	0.4
163.03888	8.2
165.01819	3.2
179.03380	10.6
180.03842	0.2
183.02776	0.2
189.01808	1.6
205.01323	0.3
207.02863	100.0
208.03183	2.0
219.98599	0.2
223.02353	4.6
235.02348	13.7
235.16907	1.2
236.02649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
50.94531	1.6
55.01845	2.0
55.05507	7.2
57.03432	1.5
57.06802	1.7
57.07061	20.5
57.35278	1.3
57.53420	1.4
59.04982	4.3
65.89297	1.4
65.91782	1.4
67.05486	9.0
69.03397	3.4
69.07058	11.2
70.72813	2.6
70.73230	4.4
71.04968	3.8
74.02592	1.3
77.66238	1.4
79.05495	9.0
81.03400	1.9
81.07045	15.8
83.04957	3.1
83.08592	6.6
85.06523	2.5
88.44666	1.6
88.67690	1.3
89.95760	1.2
91.05480	14.5
93.07020	15.3
95.04969	6.8
95.08587	16.8
97.06510	6.2
100.51559	1.2
103.05443	1.4
105.07015	26.7
107.04913	2.5
107.08582	26.6
109.06533	7.6
109.10139	12.5
111.08048	4.1
115.05429	1.3
117.06985	4.4
119.08564	87.1
120.08887	1.5
121.06474	2.5
121.10126	13.8
123.04427	2.1
123.08044	5.6
123.11627	4.0
128.06195	2.1
129.06941	4.6
131.08548	14.8
133.06470	2.4
133.10109	44.3
135.08015	17.3
135.11668	9.0
137.09589	8.1
139.11183	1.7
142.07756	5.5
143.08563	8.8
144.09319	2.5
145.10107	11.8
146.07301	2.0
147.08052	7.6
147.11676	18.6
149.09615	4.0
151.11118	6.9
156.09216	2.1
157.10103	11.0
158.10867	2.9
159.11670	9.1
160.08772	2.0
161.09608	28.9
161.13237	4.4
170.10922	2.4
171.11687	7.7
173.13248	17.9
175.11218	12.6
175.14812	18.3
177.12697	4.7
179.10651	21.1
184.12427	3.6
187.11201	2.4
187.14796	3.4
189.12790	2.5
189.16347	19.4
191.14372	2.6
193.15956	2.3
199.14795	13.1
217.15858	98.4
218.16145	2.6
235.06042	1.5
235.09459	1.9
235.16901	100.0
236.17282	2.4
240.81638	1.7
258.38467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03279	0.3
55.05500	0.4
56.04766	0.7
56.05025	10.8
57.06807	0.4
57.07068	7.2
58.06592	7.2
60.04519	1.8
67.76247	0.3
68.05012	0.9
69.07047	0.8
69.36761	0.3
70.76949	1.1
71.08254	0.4
71.08619	5.0
72.04581	0.3
74.06068	11.1
81.07027	0.3
86.06058	1.7
86.76752	0.3
87.06851	0.4
88.07616	33.9
90.05545	0.4
104.07079	1.2
118.08634	5.5
119.08618	0.5
122.08127	8.4
122.09002	0.5
146.10498	0.4
147.04353	0.4
154.15948	0.4
169.42256	0.3
172.16985	0.6
174.09964	1.1
186.18501	60.7
187.18825	1.1
188.11414	0.5
216.19556	2.2
234.20605	100.0
235.20903	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05506	5.6
56.01386	1.4
57.03426	3.0
57.07026	1.0
59.05002	4.8
59.05247	1.2
59.95357	0.8
67.97586	0.8
69.70634	5.9
70.02946	8.4
71.08630	3.9
72.04170	1.1
72.04514	12.2
73.02897	2.1
74.02423	2.0
78.99158	0.7
79.05489	7.1
79.54031	0.7
81.07049	28.3
83.08616	5.4
86.41668	0.8
87.04391	0.7
88.03979	2.9
90.05547	100.0
91.05466	8.3
93.06996	0.8
97.06514	1.6
98.02409	16.2
98.09702	1.2
99.08092	11.2
100.03980	2.2
100.11214	1.0
101.09645	0.9
104.72391	0.7
109.06512	24.6
110.09643	1.6
116.03444	12.2
117.09113	3.3
119.03542	1.1
127.07564	2.1
128.15184	0.8
136.06171	21.7
138.09126	20.8
139.64034	0.9
143.78760	0.9
145.08571	2.3
156.10205	5.5
170.11765	1.7
174.11349	0.9
180.10225	2.3
188.12823	2.0
198.11247	30.2
216.12315	28.0
234.13408	50.1
235.13634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.96547	0.3
57.03428	1.6
57.07076	0.8
69.07050	0.3
70.06577	0.3
71.60231	0.4
79.05499	1.3
81.07047	4.6
81.07497	0.5
84.08126	0.3
86.09731	0.3
91.05466	0.4
93.07047	0.4
94.04043	1.3
95.04943	0.3
101.22293	0.3
103.05450	0.6
104.07087	1.1
105.07043	0.4
109.05151	0.3
116.05718	0.2
118.06441	0.3
119.03530	2.0
119.08630	0.3
120.08080	1.6
123.04447	0.5
130.06552	0.3
131.04915	0.3
131.08591	0.3
133.02908	0.4
136.06168	100.0
137.04590	2.0
137.06512	0.8
146.05988	0.5
147.04416	0.7
155.61510	0.3
160.11201	0.3
163.03860	0.3
172.16925	0.5
175.07466	0.3
179.10622	0.6
190.08838	0.3
190.10864	1.7
190.12122	0.2
193.04872	0.3
206.08171	0.6
207.02870	3.2
216.12476	0.4
217.04784	0.3
234.13443	58.2
234.18184	1.2
235.02341	0.5
235.05956	1.3
235.13660	1.1
235.16843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
57.03423	1.7
57.07053	0.3
59.97571	0.2
66.52193	0.3
70.79147	0.4
70.79482	0.5
79.05479	1.1
81.07040	4.2
89.79909	0.2
91.05443	0.4
94.04036	1.4
95.04975	0.2
97.02831	0.3
105.07027	0.3
109.05094	0.2
119.03529	2.5
135.05525	0.2
136.06160	100.0
137.04602	1.7
137.06488	0.8
148.06139	0.3
190.10825	1.5
207.02811	0.4
216.12401	0.3
234.13455	54.5
235.13728	1.0
235.16841	0.6
252.71669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1484
Annotation	Crispine A
Peak:m/z	Relative Intensity
57.03429	0.8
70.75105	0.9
75.32540	0.3
79.05486	0.5
81.07061	1.3
90.99557	0.3
91.05505	0.8
94.04033	0.4
98.97588	0.9
104.80809	0.3
105.07059	0.8
107.08595	0.4
108.65019	0.3
109.06571	0.4
117.05732	0.6
117.07047	0.5
118.06538	4.9
119.03553	0.8
119.07360	0.3
120.08135	0.7
129.06960	0.3
130.06537	0.5
131.08577	0.4
132.04445	0.7
132.08072	7.6
132.09048	0.4
133.08864	7.4
133.09862	0.5
134.06058	0.5
134.09660	1.0
136.06166	25.0
137.04616	0.4
144.08093	1.0
146.05981	20.0
146.09691	0.8
148.07581	0.8
157.08852	0.6
159.10521	0.3
160.07515	2.5
161.08382	3.1
162.09129	3.7
162.12750	3.0
172.07645	0.5
172.11218	0.9
174.09196	1.2
176.07077	0.8
176.10680	11.2
177.11450	10.7
188.10695	0.4
190.08606	27.6
190.12233	11.3
191.09123	0.5
204.10153	2.0
205.10939	1.7
206.15434	0.7
216.13838	0.7
234.14957	100.0
235.15143	1.8
235.16408	0.4
235.17224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03937	6.6
55.01869	10.4
55.05504	18.2
56.96554	1.4
57.03423	2.0
60.68621	1.2
65.03948	1.4
65.81664	1.1
66.66992	1.4
67.05156	2.6
67.05498	40.8
69.03401	8.5
69.07059	9.5
70.64397	4.2
71.04977	3.0
77.03929	2.1
79.05484	94.6
81.03413	9.0
81.07043	31.5
83.04960	3.8
83.08618	2.6
91.05471	55.1
93.06441	2.2
93.07032	34.9
95.04957	16.2
95.08589	18.4
97.06508	3.7
97.10146	5.9
103.05439	4.5
105.03394	1.6
105.04530	2.0
105.07021	49.2
107.04943	76.8
107.08584	24.5
109.06526	8.6
109.10128	11.1
111.08061	2.7
115.05456	3.1
117.06998	22.4
118.60824	1.4
119.04882	1.7
119.08572	27.8
121.06490	41.2
121.10119	7.8
123.08057	5.9
125.06042	2.1
125.09586	8.0
128.06226	1.8
129.06989	5.7
131.08556	29.0
133.06453	5.3
133.10107	11.4
135.08034	14.9
137.05960	4.3
137.09610	2.9
141.06935	3.8
143.08556	3.2
145.06448	6.2
145.10123	25.0
147.08003	6.1
147.11697	3.2
149.05888	2.1
149.09575	5.3
153.09067	3.3
155.08545	5.7
157.10162	2.3
159.08011	3.9
159.11659	9.4
161.09689	1.8
163.07526	1.7
163.11176	2.6
166.08089	1.3
169.10089	3.1
171.10254	2.4
171.11638	6.4
173.09581	4.2
173.13255	17.9
175.11229	2.2
177.09126	2.1
187.11163	2.5
187.14804	42.0
189.12875	1.5
190.01999	3.7
191.14307	2.3
197.13214	7.6
205.15886	4.8
211.52803	2.4
215.14305	37.1
215.17799	2.0
233.04370	2.3
233.08058	4.9
233.11606	2.5
233.13519	4.1
233.15337	100.0
233.19055	3.3
234.15553	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	233.1532
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03910	2.7
53.16106	1.4
55.01844	1.9
55.05489	6.2
56.96550	3.7
57.07050	5.7
58.06056	1.2
59.04980	2.2
65.03896	1.5
67.05479	9.9
68.99786	1.4
69.03423	19.6
69.07036	4.8
71.04967	5.4
71.65866	1.3
79.05030	2.4
79.05478	33.0
81.03400	1.4
81.07049	11.7
82.77994	1.4
83.04948	2.7
83.08578	3.8
85.06516	4.4
91.05469	24.1
93.07032	16.3
95.04955	28.8
95.08564	7.2
97.06480	2.3
99.04453	3.1
99.07989	1.3
103.05425	2.8
105.06338	2.1
105.07019	30.9
107.04939	34.1
107.08578	23.2
109.06528	8.2
109.10165	7.3
111.04436	2.6
111.08080	3.5
113.05978	3.9
115.05461	3.2
116.06161	2.5
117.06995	11.1
119.04905	2.5
119.08564	100.0
119.12653	1.3
121.06509	7.4
121.10130	16.0
123.08037	4.8
123.11670	4.0
125.09588	3.9
128.06198	2.9
129.06976	5.5
130.07727	5.3
130.97647	1.5
131.04933	3.3
131.08543	21.7
133.06471	5.5
133.10121	14.2
135.08022	5.3
135.11690	2.6
137.09589	9.3
141.06967	3.6
142.07712	3.7
143.08546	4.9
144.09303	2.1
145.06461	6.7
145.10103	37.0
146.10802	1.9
147.08031	28.2
147.11649	11.4
149.05885	1.6
149.09601	13.7
149.13251	2.9
151.03816	1.6
155.08537	5.9
156.09311	5.5
157.10115	10.4
158.07323	1.9
158.10870	1.5
159.08061	10.0
159.11699	11.8
160.08795	1.9
161.06094	1.5
161.09557	3.1
161.13174	1.5
163.11108	7.5
163.14784	2.6
167.08499	2.1
168.51114	1.6
169.10085	4.7
171.11641	5.8
172.08923	2.4
173.09599	21.6
173.13205	11.7
175.11153	13.9
177.09070	5.9
179.10361	1.5
181.01453	3.9
182.10883	6.4
187.07539	2.5
187.11176	11.8
187.14784	14.6
189.12674	9.2
190.02058	12.0
191.06941	1.7
191.14281	37.7
191.15991	2.7
195.01239	2.7
197.09641	1.8
197.13240	10.1
200.12045	1.5
202.52426	3.0
204.01767	12.6
205.06685	1.7
205.08537	2.2
211.52977	11.8
212.03159	2.7
213.02333	1.6
215.10677	6.7
215.14243	15.2
219.04095	13.9
219.54320	2.7
233.06126	1.5
233.08142	8.9
233.11919	10.1
233.15327	87.3
233.19032	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1531
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.4
54.93830	7.8
55.01856	2.5
55.05490	3.5
55.93501	5.7
55.94611	1.3
56.94294	1.3
57.07052	2.9
65.03914	1.5
67.05499	7.0
69.03413	16.1
69.07039	3.9
69.80970	9.8
71.04963	1.3
71.94075	5.6
72.93761	5.1
79.05478	17.2
81.07037	8.6
83.04961	3.0
83.08581	2.5
85.06486	2.4
89.95129	1.5
90.94819	1.6
91.05454	19.5
93.07021	12.2
93.18326	1.3
95.04948	30.9
95.08583	6.5
97.06461	2.7
98.20725	2.8
103.05446	1.5
105.07009	20.4
107.04919	12.7
107.08570	15.3
109.02856	2.0
109.06509	6.9
109.10121	7.1
111.08057	1.8
115.05439	3.3
117.06999	11.3
119.04922	1.4
119.08556	100.0
120.08938	1.6
121.06479	6.1
121.10120	9.0
123.08047	2.5
123.11658	3.6
125.09648	1.7
128.06145	1.6
129.06967	4.5
131.04886	3.5
131.08545	18.2
133.06454	9.6
133.10121	9.4
135.08025	5.4
135.11583	1.5
137.09647	1.8
141.06943	2.2
142.07745	2.5
143.08488	5.1
144.09254	1.9
145.06430	6.2
145.09004	2.1
145.10089	18.2
147.07979	4.3
147.11652	5.9
149.08495	1.4
149.09581	9.6
151.07568	1.9
155.08521	4.8
156.09293	3.8
157.10063	8.4
158.07269	1.6
158.10809	1.4
159.08078	6.7
159.11646	5.9
161.13283	1.5
164.49194	3.6
167.08525	3.3
168.14330	1.4
169.10133	5.5
171.11668	6.1
173.09587	11.9
173.13197	9.1
175.11134	4.5
177.09058	3.7
179.49272	2.4
180.50545	7.6
181.00484	3.5
182.10847	7.2
187.07547	3.0
187.11182	7.9
187.14790	8.2
188.49812	2.3
189.12762	7.7
189.51047	3.7
190.02037	4.4
191.14273	15.9
192.01256	2.0
192.51167	3.2
193.50777	1.4
194.50285	6.3
195.00209	2.6
197.09474	1.5
197.13216	8.9
200.11940	2.5
202.01439	13.3
202.51253	10.0
203.50800	4.8
204.01901	5.1
204.51746	3.9
205.01640	3.5
205.06464	5.7
205.08380	2.3
205.12260	1.5
205.15781	1.5
206.01051	5.2
206.50974	6.0
209.52579	1.9
210.02475	2.9
211.52950	3.2
213.52251	13.5
214.02083	13.6
214.52434	3.9
215.07069	2.6
215.10658	4.5
215.14272	16.1
218.53142	2.4
219.04027	3.9
221.03389	4.0
221.53236	2.1
224.04680	2.1
225.03030	3.5
225.52994	2.9
233.05925	4.5
233.08055	7.0
233.11731	6.5
233.15314	50.0
233.22954	2.8
239.03294	2.1
252.04082	3.2
253.04939	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	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03924	6.7
55.01859	8.6
55.05500	16.1
57.07052	2.7
65.03917	1.7
65.28822	1.4
66.04678	1.4
67.05498	38.5
69.03426	6.8
69.07067	6.5
70.25880	5.8
71.04961	3.4
76.74876	1.2
77.03932	1.2
79.05480	74.4
81.03412	8.0
81.07043	26.9
83.04972	5.9
83.08614	2.5
91.05467	46.1
93.07035	28.8
95.04955	14.5
95.08575	15.4
97.06489	4.1
97.10133	5.6
97.96886	1.2
98.20728	1.4
103.05442	5.4
105.06340	2.6
105.07012	45.6
107.04934	61.2
107.08575	19.2
109.02910	1.4
109.06510	7.2
109.10128	11.1
110.60477	1.2
111.08048	1.3
115.03102	1.1
115.05421	4.1
116.06261	1.6
117.06992	16.3
118.51371	1.3
119.04926	1.3
119.08571	27.8
121.05604	2.2
121.06481	36.2
121.10096	8.1
123.04465	1.7
123.08052	4.7
125.09620	4.3
126.86982	1.1
128.06163	1.3
129.06999	6.1
131.04897	2.0
131.08551	27.5
132.90843	1.3
133.06454	4.9
133.10110	9.3
134.62936	1.2
135.08043	10.0
135.11667	3.1
137.05922	1.6
137.09584	1.7
141.06915	2.5
143.08543	2.6
145.06470	6.9
145.10095	20.7
147.08023	6.7
147.11653	3.6
149.09596	5.8
149.13329	1.5
151.07471	1.9
153.09087	2.1
155.08521	5.6
159.08035	5.3
159.11668	9.2
161.13181	2.0
163.07564	1.9
163.11104	2.2
169.10057	3.4
171.10266	2.0
171.11650	6.1
173.09602	4.4
173.13232	17.8
175.11137	2.8
177.09109	1.6
187.11163	4.2
187.14799	32.1
190.01968	1.6
191.10522	1.8
191.14244	5.0
197.13255	7.3
203.08521	2.4
205.08524	1.4
205.15866	4.7
215.06952	1.6
215.10786	1.7
215.14262	30.5
215.17729	2.1
218.10851	2.1
219.04083	2.2
233.04370	2.5
233.07872	6.1
233.13341	4.8
233.15312	100.0
233.19034	4.6
234.15854	1.9
244.86462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Thr Leu
Peak:m/z	Relative Intensity
56.05027	18.0
56.60351	0.3
56.96553	1.3
57.03437	3.0
58.06590	3.7
61.14024	0.3
69.07059	0.4
70.06574	0.5
71.21857	0.8
74.06068	100.0
75.04473	1.4
84.04494	3.9
85.02921	0.5
86.09694	21.4
97.02852	0.5
98.97586	1.0
101.07104	2.0
115.44592	0.4
117.07034	0.4
130.01431	0.4
132.10184	17.0
141.13855	0.4
142.12265	1.0
143.11748	0.7
145.06497	0.4
169.13368	1.5
177.05554	0.5
187.14383	9.0
215.13979	3.9
233.08113	0.8
233.14938	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	233.1533
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.37583	0.6
53.03935	2.1
55.01870	0.8
55.05505	4.3
57.07053	2.3
57.84343	0.6
64.05787	0.7
67.05486	2.6
69.03412	5.5
69.07046	1.9
69.41758	2.8
69.42193	4.0
71.04990	1.4
71.25021	0.7
74.09653	0.6
77.03935	0.8
79.05482	51.4
81.07041	4.9
83.04958	2.6
83.08610	5.3
84.56259	0.7
85.02900	0.9
85.06531	4.1
85.88132	0.6
91.05468	7.8
93.07047	7.4
95.04941	7.1
95.08581	2.9
97.06512	1.7
103.05422	0.7
105.04509	0.8
105.07008	14.0
105.75525	0.8
107.04940	55.6
107.08573	10.3
109.06479	2.1
109.10142	1.5
110.63583	0.7
111.08065	5.0
113.05990	1.1
115.05460	0.9
116.06200	1.0
117.07022	4.1
119.08572	13.6
121.06502	2.9
121.10117	6.5
123.08078	2.0
123.11679	0.7
125.09605	2.8
129.06987	2.4
130.07782	0.8
131.07654	1.1
131.08549	11.8
133.06502	1.5
133.10110	9.4
135.07970	3.5
135.11671	1.2
137.09645	4.0
142.07745	1.4
143.08501	2.0
145.06493	1.3
145.10094	14.1
146.10948	1.0
147.08022	12.9
147.11670	13.9
149.09589	8.3
149.13219	4.0
155.08496	1.1
156.09377	0.9
157.10110	7.5
158.10870	2.6
159.08057	1.7
159.11671	1.6
160.08830	2.2
161.13232	0.7
163.11133	4.3
169.10118	0.9
171.11647	3.1
172.12523	0.9
173.09608	2.0
173.13239	10.1
175.11165	17.8
176.11650	0.8
177.09093	1.0
182.10956	1.2
187.11136	1.6
187.14789	4.0
189.12740	5.4
191.14282	68.4
192.14616	1.2
197.13278	2.5
204.01613	0.9
215.14308	8.0
218.63365	0.8
233.15331	100.0
234.15675	1.4
243.86646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03926	2.4
55.01836	0.9
55.05495	2.9
57.03411	0.6
57.07054	0.9
57.35860	0.6
59.55373	0.7
64.54374	0.5
67.05489	1.5
69.03416	5.7
69.07056	0.8
70.85290	1.4
71.45499	0.5
77.03887	1.0
79.05481	54.2
80.05810	0.8
81.07030	2.9
83.04964	2.1
83.08606	6.7
91.05460	4.0
93.07034	5.9
95.04945	4.9
95.08588	1.6
97.06506	0.7
105.04495	0.8
105.07013	7.5
107.04938	64.3
107.08575	8.8
109.06494	0.7
111.04396	0.6
111.08066	6.9
117.06995	1.4
119.04890	0.7
119.08557	6.7
121.06460	2.1
121.10139	6.7
123.08048	1.4
123.11652	0.6
125.09624	2.9
127.59280	0.6
128.06165	0.7
129.06969	0.9
131.08546	6.4
133.06584	0.6
133.10118	6.3
133.85168	0.6
135.08028	1.5
142.07747	1.6
143.08507	1.3
145.06410	1.0
145.10109	3.6
147.08023	1.0
147.11667	8.5
149.09599	7.5
149.13220	3.8
157.10069	3.3
158.10890	1.9
159.08061	1.4
159.11661	1.2
160.08836	2.1
160.90855	0.7
171.11607	0.9
173.09596	1.3
173.13240	5.6
175.11166	10.5
177.05524	0.8
177.09116	0.9
182.10944	0.9
187.14819	1.5
189.12656	0.6
190.02150	0.7
191.14278	69.9
192.14668	1.0
197.13220	1.7
204.01781	1.3
215.07033	0.6
215.10901	0.5
215.14265	2.2
233.04494	1.0
233.11577	2.4
233.15326	100.0
234.15640	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	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03928	2.2
55.01852	4.9
55.05497	2.3
57.07081	1.5
61.44460	1.1
65.03927	2.8
67.05497	16.4
67.53761	1.1
69.03417	16.8
69.07049	4.7
70.89311	4.2
71.04984	10.7
77.03907	2.7
79.05486	15.5
81.03408	2.9
81.07040	12.6
83.04952	3.6
85.06516	5.8
87.04462	1.6
91.04931	2.3
91.05469	34.3
93.07034	19.5
95.04955	18.5
95.08583	5.2
96.97417	1.1
97.06501	4.4
99.04444	18.0
103.05461	4.9
105.07018	61.5
106.07351	1.5
107.04936	8.8
107.08599	9.6
109.06487	5.9
109.10149	2.5
111.04449	1.5
113.05976	1.5
115.05411	5.3
116.06204	2.1
117.07008	34.1
119.04928	13.9
119.08576	22.5
121.06492	19.4
121.10107	5.2
123.08047	2.1
125.05966	1.7
128.06204	7.5
129.06990	15.1
130.07796	11.0
131.04883	4.5
131.08560	37.4
133.06461	5.6
133.10114	12.5
135.04387	3.7
135.08018	5.3
135.11595	1.9
137.05974	9.7
137.09485	1.3
141.06970	7.9
142.07768	3.3
143.08536	14.3
144.05737	1.6
144.09315	10.4
145.06461	20.5
145.10103	100.0
146.07211	1.7
146.10300	1.6
147.04279	1.3
147.08028	6.8
147.11673	4.8
149.05965	3.4
149.09631	2.6
151.07558	2.1
153.06946	3.7
154.07793	8.7
155.08505	4.8
156.09294	2.4
157.06453	2.2
157.10104	5.4
158.07286	8.7
159.08037	14.1
159.11678	55.7
161.09586	3.6
161.13202	2.0
163.03813	1.7
163.07497	5.6
163.11165	18.6
167.08537	2.4
169.10112	22.8
171.08034	2.9
171.11638	4.7
172.08806	6.2
173.05978	3.0
173.09604	90.3
173.13219	5.8
175.07542	4.0
176.04454	1.4
177.05476	1.8
177.09111	2.4
177.12738	3.8
179.08537	4.3
181.06496	2.4
182.07281	3.0
187.07535	3.7
187.11162	91.5
187.14775	4.9
188.11517	2.5
189.09091	4.2
189.12691	3.1
191.06958	2.4
191.10640	11.7
197.09630	11.9
205.04836	2.0
205.08376	1.9
205.12175	11.5
215.10657	72.8
215.14146	3.4
216.10954	2.1
233.04361	1.9
233.08144	8.5
233.11687	61.9
233.15224	12.4
233.18925	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	231.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	17.8
57.03429	4.8
57.07065	9.2
65.03926	3.6
67.05506	19.0
68.99802	4.0
69.03430	16.8
69.07061	31.8
70.92159	9.7
71.04982	9.8
72.08139	5.8
72.58923	2.7
79.05490	19.9
81.03406	8.8
81.06610	4.7
81.07050	58.4
83.04958	4.5
83.08601	21.9
85.02898	8.2
85.06532	14.4
86.09704	4.4
91.05461	12.0
93.07040	41.0
95.08598	100.0
95.09209	6.2
97.02903	6.8
97.10162	9.7
98.98439	2.8
99.04465	5.1
99.08052	7.4
103.05432	4.1
105.07019	10.7
107.08580	59.9
109.02811	2.6
109.10141	42.0
111.08089	6.0
111.11712	3.5
115.05438	4.8
119.08566	5.4
120.51572	2.7
121.02856	3.3
121.09271	4.8
121.10128	70.0
123.11721	10.2
127.03889	6.2
128.06184	7.6
129.06996	12.2
131.08549	6.2
133.10121	4.2
135.11676	21.3
137.13269	11.5
139.11140	6.3
141.07054	5.5
142.07771	11.3
143.08562	12.6
145.10117	4.1
147.04398	5.6
147.08116	4.1
149.13228	7.3
151.14809	3.3
157.06458	5.7
157.10107	11.0
159.11621	4.7
160.05199	5.5
161.05977	6.4
165.16385	8.9
171.11780	3.4
173.05942	3.1
175.03973	7.3
175.07620	7.0
177.16356	95.0
178.16592	4.4
185.05905	6.2
185.09666	10.2
185.13281	6.4
187.07550	6.6
188.90443	3.0
195.17404	32.8
201.05386	3.7
203.03502	3.9
203.06956	4.7
213.05438	4.1
213.09109	7.8
213.12733	5.0
231.02864	9.1
231.06505	21.5
231.10106	18.9
231.13828	12.4
231.17406	3.7
232.13422	3.3
253.38577	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	233.1169
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03925	1.7
55.01858	2.0
55.05496	2.7
56.05016	2.3
57.07060	2.6
58.06580	2.3
65.03918	1.5
67.05244	0.6
67.05504	6.8
67.88865	0.9
68.99754	1.6
69.03400	3.1
69.07043	2.5
69.99323	5.1
71.04982	2.6
71.08608	1.9
74.06062	3.1
74.17216	1.1
79.05482	10.3
81.03388	1.0
81.07060	8.7
83.04949	0.9
85.06541	1.5
88.07620	9.5
91.05470	15.8
93.07035	11.5
95.01309	0.8
95.04955	6.6
95.08592	4.5
97.02928	1.1
97.06521	1.7
98.20760	0.9
99.04436	2.9
103.05441	2.5
105.07018	26.9
107.04939	8.4
107.08591	5.3
109.06485	3.1
109.10107	1.9
115.05416	3.2
116.06185	1.0
117.07016	14.3
118.08612	1.5
119.04943	7.3
119.08551	11.5
121.06511	9.5
121.10115	3.7
122.08133	1.6
123.04391	1.0
125.05991	1.6
125.27779	0.8
128.06197	2.7
129.07001	5.0
130.07791	7.9
131.04884	2.7
131.08546	14.0
133.06485	3.4
133.10135	5.8
135.04387	1.6
135.08026	3.2
135.11656	2.6
137.05945	3.1
137.09581	1.2
141.06929	3.0
143.08539	8.0
144.09303	3.1
145.06464	7.8
145.10110	54.2
147.07988	1.8
147.11674	5.4
149.05959	2.0
149.09602	1.9
151.07571	1.3
154.07753	4.0
155.08517	1.9
157.06532	1.0
157.10045	1.5
158.07251	4.5
159.08046	5.5
159.11688	19.1
161.05994	1.4
161.09625	2.0
163.07539	2.0
163.11162	16.7
169.10100	7.1
171.08063	1.3
171.11639	2.2
172.08835	2.0
173.09602	100.0
174.09921	2.0
175.07492	2.5
177.09094	1.2
179.08572	1.7
182.07277	1.3
186.18529	18.4
187.07616	2.0
187.11157	30.8
187.14743	1.9
189.08998	1.1
189.12741	2.9
191.10663	5.6
197.09610	6.1
200.04764	0.9
201.05516	0.9
205.06601	1.8
205.08559	1.5
205.12164	4.7
210.03612	0.8
215.07257	1.3
215.10646	22.7
215.14047	1.8
215.17841	4.1
233.05919	1.9
233.08047	9.3
233.11667	23.1
233.15262	9.1
233.18881	4.8
234.20615	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.29207	0.5
55.01854	0.7
55.05485	0.8
56.05021	2.4
56.83237	0.5
56.96558	0.9
57.03417	0.9
60.12083	0.5
67.05508	0.7
68.04975	0.6
68.99763	0.6
69.03423	9.9
69.07047	1.4
70.06584	0.9
70.07393	0.8
71.04982	1.3
71.61712	0.6
71.62152	1.0
72.08147	3.3
73.91561	0.5
74.02428	7.5
79.05460	1.0
81.03413	5.3
81.07037	1.8
83.04965	0.7
85.02892	4.6
86.09688	1.3
87.00806	1.4
88.03971	0.5
91.05471	3.5
93.07030	1.5
95.04944	1.3
95.08547	0.6
97.02869	2.0
99.00771	0.6
99.04459	2.4
102.05517	2.3
105.07047	2.4
107.04950	0.6
109.02868	2.1
115.05402	1.3
117.05737	1.3
117.07015	1.8
118.06534	9.7
118.07304	0.4
119.04936	1.1
119.08575	1.8
119.14732	0.5
121.06524	0.6
121.10152	0.5
127.03899	2.4
128.06236	1.4
129.06978	1.9
130.06519	30.3
131.04965	0.6
131.08545	2.4
132.08073	2.2
133.10114	0.7
134.04457	0.9
135.08060	0.6
135.11613	0.6
141.06969	1.8
142.06537	0.8
142.07744	2.0
143.04915	0.8
143.07303	18.3
143.08499	2.6
143.09517	0.6
144.08095	10.0
144.09232	0.6
145.04991	0.5
145.06479	1.0
145.10110	1.4
146.05991	21.4
147.04379	1.8
147.08028	2.1
148.04669	0.7
154.06500	8.3
155.08525	0.6
156.08081	2.7
157.06488	0.8
157.08838	3.8
157.10132	2.8
158.09637	100.0
159.10104	1.0
159.11697	0.5
161.06000	0.6
161.09604	0.8
161.13152	0.6
165.07021	0.6
167.07239	1.3
167.08536	0.8
168.08075	22.9
169.08794	1.7
170.05962	1.4
170.09650	2.1
171.08011	1.5
171.11729	1.0
172.07559	1.7
173.09578	1.1
175.03828	1.0
175.07539	2.1
175.11163	0.6
185.05884	0.8
185.09523	1.5
185.10907	1.1
185.13226	3.3
187.12366	1.1
188.07039	28.5
189.09097	0.7
196.07613	1.8
203.03395	0.7
203.07022	1.6
203.10660	0.9
203.14308	0.8
213.05382	1.2
213.09129	1.3
213.12785	0.7
214.08607	21.7
231.02812	1.9
231.06535	5.1
231.11162	8.3
231.13792	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	231.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
53.14286	4.2
54.08303	4.4
55.05495	18.7
57.07058	9.6
67.05476	16.3
69.03405	14.3
69.07044	21.3
70.71745	12.9
71.13234	5.7
79.05471	15.8
81.03407	9.4
81.07046	50.7
83.08597	21.1
85.02892	8.3
85.06506	9.4
91.05463	10.2
93.07027	36.7
95.08595	80.5
97.10146	20.9
99.08060	5.6
105.07026	8.1
107.08582	62.3
109.10149	35.4
119.08598	6.2
121.10133	71.7
123.11673	10.8
131.08505	5.7
135.11664	18.6
137.13239	9.1
143.08525	7.2
145.10077	6.7
149.13271	6.1
157.10063	7.2
165.16322	8.6
177.16367	100.0
181.23792	5.5
195.17429	30.3
231.06470	20.5
231.10197	5.6
231.13695	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	231.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
54.25311	5.1
55.01856	5.2
55.05505	19.8
57.07051	9.0
67.05500	18.8
69.03424	54.8
69.07055	15.7
71.04978	10.4
71.26193	10.4
72.08117	8.6
79.05490	19.8
81.03416	23.6
81.07040	37.9
83.04967	9.4
83.08611	9.5
85.02892	22.1
85.06525	12.4
87.00842	11.8
91.05466	20.0
93.07010	28.7
95.04955	7.1
95.07998	8.8
95.08582	53.6
97.02895	18.9
99.04441	10.8
99.08070	6.7
99.54079	4.8
105.07040	29.4
107.08569	34.0
109.02897	7.6
109.10165	26.6
110.17917	5.2
115.05433	21.8
117.06961	11.2
119.08585	16.6
121.10123	48.1
123.04369	5.6
123.11782	9.0
127.03921	12.7
128.06189	18.0
129.06978	18.3
131.04919	7.1
131.08513	7.2
133.10132	15.1
135.11682	11.7
138.75722	4.9
138.86371	4.9
140.76099	5.7
141.07024	8.9
142.07794	7.8
143.08525	20.5
143.74702	5.1
145.06555	6.7
145.10144	11.8
147.04451	5.7
147.08049	8.2
155.08594	5.6
157.06462	9.8
157.10118	21.0
159.04411	21.9
159.08096	7.9
159.11737	7.8
160.05193	20.3
161.05977	17.9
167.08479	6.6
171.08031	13.8
171.11650	9.6
172.07521	9.6
175.03920	21.1
175.07539	37.3
177.16379	44.7
185.05954	13.2
185.09633	19.0
185.13333	28.4
187.07510	6.6
188.04668	6.6
189.09137	8.4
189.12746	9.7
190.08598	28.2
195.17439	22.2
201.05415	11.7
203.07014	15.4
203.14265	5.9
213.05434	16.8
213.09172	14.3
213.12677	12.7
213.16539	5.4
216.04182	7.4
231.02916	26.7
231.06454	100.0
231.10114	34.9
231.13692	33.4
231.17499	12.0
232.07423	6.8
232.09624	30.5
246.51089	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	231.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15966	0.8
51.99689	0.9
52.29595	0.8
53.42456	0.9
55.05500	1.7
56.05027	3.9
57.01822	0.9
57.03430	0.9
57.07060	3.1
67.05503	1.7
69.03409	3.6
69.07062	2.2
69.34716	9.1
71.04974	1.3
79.05483	1.8
81.03398	1.1
81.07047	5.9
83.06078	2.3
83.08587	1.6
83.29314	0.8
84.04493	100.0
85.02908	6.9
85.10169	19.3
91.05458	2.1
91.78980	0.9
93.07027	3.4
95.08579	5.6
96.04440	0.9
99.04436	1.2
100.06815	0.8
102.05515	6.3
102.12805	73.3
102.72281	0.8
103.13121	1.0
105.06995	1.7
107.08580	6.2
109.02867	1.1
109.10123	2.2
119.08553	1.3
121.10106	4.6
123.11633	1.1
129.06725	1.1
130.04987	64.9
131.08546	1.8
133.10043	0.9
143.08545	2.1
145.10118	1.2
153.12608	1.0
157.10121	1.4
161.05959	1.1
171.08182	0.9
171.11586	1.1
175.03802	1.6
177.16364	5.7
185.05983	0.9
185.09514	1.0
185.13127	1.6
185.16473	16.7
189.19061	0.8
195.17572	1.2
203.14359	1.1
213.12790	1.2
214.14355	55.5
215.14655	1.1
231.06531	3.6
231.10162	3.1
231.13820	2.2
231.17020	25.4
232.17293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.9
55.01856	2.8
55.05489	2.4
56.96553	1.8
57.03421	3.4
58.57920	0.8
61.02908	1.8
61.97126	0.7
67.05492	1.0
68.99783	3.8
69.03422	100.0
69.07044	1.4
69.66508	0.7
70.06570	1.5
71.01337	1.0
71.04980	8.1
71.62170	1.3
72.08155	7.5
73.02905	1.0
73.79525	0.8
77.88798	0.8
78.35345	0.7
79.05475	1.0
81.03407	46.8
81.07041	2.4
83.01340	1.8
83.04958	1.6
84.04473	0.8
84.08109	1.0
84.54799	0.7
84.75829	0.7
85.02897	43.5
86.09680	2.6
87.00817	19.9
87.04425	0.9
90.75377	0.7
91.05468	4.1
93.07007	1.4
95.04964	1.0
95.08601	0.8
97.02882	27.1
98.98435	0.8
99.04443	21.0
105.01863	4.5
105.07015	2.3
107.04961	1.3
107.08534	0.9
109.02869	21.1
109.10134	0.9
111.00781	0.9
111.04404	0.9
115.03917	1.0
115.05440	2.8
117.06986	2.2
119.04939	2.3
119.08547	2.6
121.02848	1.3
121.06564	1.3
121.10109	0.8
127.03903	22.8
128.06204	2.2
128.27859	0.9
129.07018	3.8
131.04916	1.6
131.08551	2.7
133.06468	1.1
135.08049	0.8
141.06978	1.7
142.07732	2.2
143.00169	1.8
143.04910	1.7
143.08517	3.2
145.04932	3.5
145.10077	2.2
147.04402	2.3
147.08000	1.1
148.04759	0.8
156.09222	1.0
157.06529	4.8
157.10109	3.2
159.07967	1.0
159.11647	1.3
160.05107	1.0
161.01196	3.1
161.05968	4.7
161.09583	1.0
167.08478	1.0
171.03154	0.8
171.04430	5.0
171.07962	1.5
173.09578	1.8
175.03880	2.9
175.07550	2.7
185.01224	1.0
185.05876	4.7
185.09641	1.6
185.13191	3.3
187.07527	1.7
189.05499	2.0
189.09052	1.0
197.23953	0.8
201.05487	1.0
203.07018	2.7
203.10529	1.5
213.03883	2.2
213.05585	1.8
213.09138	1.1
213.12663	2.0
231.02820	1.5
231.04889	2.3
231.06709	7.8
231.10060	7.4
231.13783	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	230.1384
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
56.05014	0.3
57.78003	0.2
58.06590	65.7
59.06911	0.4
69.55373	1.7
69.55699	0.2
70.06580	0.6
72.08149	1.1
80.26974	0.2
82.06567	0.5
84.08105	1.1
88.07604	0.9
92.60271	0.2
98.09661	0.9
99.04449	0.7
100.07602	0.7
108.08036	0.2
110.09644	0.8
122.02271	0.2
123.08038	0.3
142.08618	0.3
143.08952	0.5
152.51022	0.2
168.13828	1.5
170.11760	1.4
186.14885	1.3
192.41748	0.2
230.13831	100.0
231.14160	1.9
248.07994	0.3
251.12619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1897
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
58.06593	0.2
63.44313	0.2
67.05478	0.4
68.05810	0.2
68.99778	0.2
69.03412	0.3
75.94234	0.2
81.07036	0.2
83.14143	0.2
86.06071	0.2
91.05479	0.3
95.04898	0.2
98.06010	0.2
103.03737	0.2
105.06951	0.2
109.10152	0.2
115.05439	0.4
117.03370	1.3
119.20539	0.2
130.06499	1.1
131.04898	1.6
131.07335	0.3
131.08421	0.2
142.04985	0.5
144.08015	0.4
145.06505	0.2
145.08830	0.3
158.09557	1.5
159.04413	1.6
159.10329	0.3
170.04445	0.4
172.11195	1.7
173.05960	0.3
173.11967	3.3
174.06731	0.9
174.12567	0.3
184.12064	0.5
185.05954	0.2
186.03104	0.3
186.12740	1.2
187.03889	3.4
187.13533	9.4
188.14310	1.0
191.03165	0.2
192.04106	0.2
196.03888	0.4
200.14339	1.9
201.05441	2.7
201.15088	0.5
202.06210	1.5
202.15895	0.3
214.15881	11.0
215.03351	0.9
215.16643	2.3
216.04070	0.3
219.12419	0.3
230.05742	6.4
230.19005	100.0
231.02840	0.4
231.06503	0.9
231.19353	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	230.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	3.4
56.96540	5.0
57.14853	1.1
57.32754	1.1
61.59655	1.1
68.76662	1.2
71.58398	1.6
82.99841	1.2
84.04491	16.9
94.93033	1.4
98.97557	3.4
100.54971	1.4
100.73295	1.5
101.00844	5.5
116.05566	3.2
116.98571	2.3
119.01897	23.0
124.02464	1.2
124.78012	1.4
131.01913	1.7
132.05096	1.5
134.06596	2.5
134.99641	3.1
137.02921	4.9
142.03491	18.3
143.01901	3.6
144.05083	1.5
152.04039	1.6
160.04535	23.5
160.99500	1.9
161.01041	1.4
161.02922	6.0
166.03453	7.8
170.03017	2.1
177.00819	1.6
177.02304	2.3
178.05571	1.5
181.00078	2.1
184.04530	100.0
185.04726	4.0
185.50180	1.4
186.49881	1.3
188.04036	1.5
189.02321	1.9
196.97661	1.6
199.04530	1.3
202.05577	59.1
203.02396	1.3
203.05711	1.9
205.00233	2.4
206.05099	5.7
207.06085	3.0
215.51289	1.4
225.07191	3.0
230.05080	21.2
248.06143	24.5
253.06808	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	230.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85536	0.3
55.01858	0.7
56.05016	0.8
56.96558	20.3
57.03428	1.4
58.06590	75.6
59.06938	0.6
59.99959	0.4
60.08150	0.6
60.95832	0.5
61.02918	1.1
69.03410	1.9
69.07086	0.4
69.95876	1.9
70.06580	3.7
70.98129	0.9
71.04958	0.9
71.06913	1.0
71.95249	1.2
72.08144	1.4
72.96041	0.7
73.02901	0.8
74.97620	0.5
77.27052	0.4
81.03410	0.8
82.06570	0.7
83.97607	0.4
84.08131	2.5
84.96024	1.4
85.02896	1.6
86.09695	1.5
88.07621	1.0
88.84966	0.4
88.99129	0.6
97.02872	1.2
97.96818	0.8
98.09680	1.0
98.97567	38.3
99.04443	0.9
99.36364	0.4
100.07628	0.5
101.00864	2.0
102.00927	2.5
102.02211	0.6
103.00633	1.3
103.02394	0.8
105.07040	0.6
107.02963	0.3
110.09671	1.6
110.97566	0.6
112.99107	0.8
114.05565	0.5
114.06643	0.8
115.03957	0.6
115.97856	0.5
116.00218	0.9
116.98605	31.7
117.02093	0.4
119.01897	7.8
119.02758	0.4
120.01974	8.6
120.02994	0.4
120.03215	0.4
121.01631	3.9
121.02283	0.4
125.07857	0.4
127.03900	0.7
128.98601	1.5
131.00133	1.1
131.01881	0.8
132.02014	0.5
133.01625	0.6
133.03423	1.2
134.01248	0.9
134.03593	1.1
134.99631	17.0
135.03114	0.7
137.02927	2.3
138.03006	2.6
139.02666	1.0
140.00128	0.8
140.10674	0.7
142.05392	0.7
142.08583	1.3
142.96535	0.4
143.00137	0.6
143.08940	2.4
145.03423	1.4
145.99930	0.8
146.99586	1.5
147.01306	0.4
147.98775	0.3
149.01192	1.5
149.02965	0.7
153.00688	2.9
158.01204	1.0
158.04839	1.3
158.99632	0.6
160.06450	1.5
160.97548	0.3
161.01239	0.9
161.02945	1.6
162.03023	0.6
165.00679	0.6
167.02350	0.4
168.13835	1.2
169.99986	1.0
170.04770	0.6
170.99570	0.6
171.01315	0.7
174.99071	1.0
177.00694	1.1
178.05728	0.4
178.07420	0.7
185.02896	0.9
186.14911	1.4
188.00974	2.8
188.05888	1.3
188.97110	0.7
189.00679	1.4
189.02440	2.5
189.04202	2.7
191.02243	0.4
192.54895	0.7
193.00150	0.8
195.01654	0.6
198.00679	1.1
199.04594	0.4
201.04111	0.5
206.01973	1.1
206.07042	2.3
207.01685	1.0
207.03510	0.7
207.05376	1.4
208.04559	0.5
216.00490	1.3
216.02145	0.5
217.00108	1.0
219.03555	0.5
224.08073	3.6
230.07112	2.7
230.13820	100.0
230.15770	8.6
231.07225	0.5
231.14137	2.0
236.06807	0.4
248.08080	6.4
248.99115	0.7
251.04298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38721	0.6
53.03930	1.6
55.05507	8.6
57.03445	3.5
57.07054	1.9
58.06586	1.1
59.04974	0.7
60.08149	1.4
61.08489	0.8
65.03931	0.9
67.05496	24.7
69.03426	0.7
69.07054	7.2
71.04978	0.7
71.58125	0.6
71.58508	0.8
79.05482	5.3
81.07051	10.6
83.08617	5.4
91.05470	10.3
93.07023	10.3
95.04947	2.0
95.08588	12.9
97.02850	0.8
97.10120	1.1
98.98441	2.4
103.05466	1.0
105.06361	1.1
105.07021	15.9
107.08576	11.4
109.06497	1.0
109.10143	26.2
115.05398	1.6
117.06993	7.4
119.08566	14.8
121.10117	11.5
123.11684	4.2
128.06172	4.1
129.06978	4.2
130.07761	0.8
131.08553	20.4
133.10112	15.6
133.91336	0.7
135.11690	6.1
136.56921	0.8
141.06964	2.3
142.07753	2.9
143.08554	9.4
144.09319	3.2
145.06470	2.0
145.10101	24.0
147.11667	10.0
149.06009	0.8
149.13216	1.5
153.06973	2.0
155.01025	2.0
155.08521	5.2
155.10573	0.8
157.10083	4.1
158.10869	2.8
159.08018	1.9
159.11674	30.3
160.12447	1.7
161.13223	2.6
168.09311	5.8
169.10118	1.2
171.08055	1.3
171.11678	7.3
173.05969	1.6
173.09637	1.1
173.11737	4.5
173.13214	24.9
174.13879	1.3
183.11668	14.8
185.13258	3.7
186.14021	4.9
187.07518	1.4
187.11172	2.6
187.14778	13.3
193.10085	0.9
199.14789	2.8
200.15535	1.5
201.12703	3.3
201.16298	1.9
208.33611	0.7
211.11172	1.6
214.17110	2.5
224.02524	0.7
227.18068	0.7
229.04962	1.1
229.08551	2.3
229.12256	11.3
229.14365	3.4
229.15842	3.5
229.19481	100.0
229.27150	11.6
230.19792	2.5
247.13387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10801	0.3
54.27567	0.3
55.01871	0.6
56.96557	12.9
57.03430	2.4
58.06591	11.4
58.99863	0.3
59.07374	1.7
60.08154	8.9
61.02916	2.1
67.05470	0.3
68.05019	1.2
69.03419	3.4
69.07073	0.3
70.06581	38.2
70.80886	0.7
70.81243	0.5
70.98122	0.8
70.99857	0.6
71.04990	0.4
71.06924	0.3
71.95261	0.5
72.08165	0.9
73.02915	1.3
74.02436	0.3
74.97584	0.4
75.04463	0.4
77.00896	0.5
77.11031	0.3
79.05484	0.4
80.03933	0.3
81.03403	0.9
81.07024	0.4
82.06573	0.6
82.99826	0.5
84.04491	0.3
84.08127	2.1
84.96021	0.9
85.02890	3.5
86.02419	0.6
86.03690	0.4
86.09700	1.2
87.04468	1.5
88.99166	0.4
90.01559	0.4
96.01487	0.3
96.08112	2.1
97.02879	2.9
97.96763	0.3
98.06048	0.7
98.97566	18.8
99.04438	0.3
100.02457	0.3
100.05208	0.3
100.07608	0.7
101.00862	8.7
102.00941	0.7
102.01534	0.4
105.02039	0.3
107.01870	0.4
110.97542	1.1
111.02050	0.4
112.07578	0.4
112.99108	0.5
113.01806	0.4
114.05516	4.3
114.09139	2.8
115.02394	0.7
115.03934	0.9
115.97821	0.3
116.00211	0.4
116.07070	1.1
116.98604	14.2
117.02059	0.8
117.10208	0.4
118.01122	0.4
119.01899	29.3
120.01985	2.1
121.01603	0.4
124.02734	0.3
124.07570	4.0
124.99006	0.4
125.01754	0.5
126.09129	0.9
126.98754	0.7
127.03906	0.5
128.02298	0.7
128.98618	1.6
131.00160	0.8
131.01843	1.9
132.00731	0.3
132.02553	0.5
133.01561	0.5
133.03461	2.7
133.04970	0.3
134.01163	0.3
134.02243	0.3
134.99644	7.1
135.03047	0.6
137.01935	0.4
137.02936	7.8
138.03003	0.5
140.00270	0.4
140.02338	0.4
140.03751	0.4
140.10706	0.4
142.03465	0.5
142.08612	31.6
143.00142	1.1
143.01842	0.6
143.08984	0.3
144.99786	2.7
145.01532	0.4
145.03450	0.8
145.99942	0.5
146.02281	0.6
146.99632	1.6
147.03088	0.6
148.03780	0.5
149.01237	1.7
149.02937	0.5
151.04462	0.4
152.06995	0.3
152.98642	0.4
153.00664	0.6
153.03029	0.4
154.03865	0.4
155.02811	0.5
158.01218	0.4
158.04868	0.8
158.99643	0.9
160.05237	0.3
160.06462	1.2
161.01187	0.5
161.02919	1.5
162.01601	0.3
162.40105	0.3
163.02837	0.4
163.04414	1.1
165.00696	0.5
168.01733	0.4
168.99815	2.3
169.01216	0.4
170.08125	3.2
170.99602	0.5
172.99272	0.6
173.01263	0.3
173.02925	0.3
174.99178	0.3
175.04665	0.7
176.03334	0.4
177.00743	0.7
177.02275	0.5
178.03127	0.3
178.04906	0.6
183.04095	0.9
183.11615	0.4
183.14961	0.4
187.00861	7.1
187.02562	0.6
187.04597	0.8
188.00941	0.6
188.05922	0.9
189.00711	0.5
189.04306	1.6
189.05927	0.3
191.00369	0.4
191.02333	0.4
191.04015	0.5
192.04607	3.3
192.54846	0.8
196.99274	0.6
197.00993	0.6
198.00754	0.4
201.00734	0.5
201.15848	0.3
203.03946	0.4
203.55383	0.4
204.05484	0.3
204.07462	0.3
205.00206	0.5
205.01906	2.0
205.05736	0.4
206.07025	1.6
207.01672	0.3
207.05348	0.9
211.14459	0.4
215.00317	4.3
217.05757	0.3
219.01674	0.8
224.08057	2.3
229.15437	100.0
230.06905	1.1
230.11652	0.2
230.13824	5.9
230.15842	1.7
233.03285	0.7
233.96939	0.3
237.02811	0.7
247.09502	0.3
248.08061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.51244	0.5
55.05506	9.1
57.03158	1.2
57.03432	17.8
57.07059	1.0
59.04996	5.2
60.03395	0.6
65.03934	1.7
67.05496	100.0
68.05827	1.1
69.03408	0.8
69.07070	1.9
70.16055	0.6
71.04979	2.5
79.05484	2.3
81.07050	13.8
83.08619	6.0
85.06543	3.3
87.04449	0.7
91.05471	6.8
93.07030	3.1
95.08586	5.9
97.47330	0.6
98.20658	1.3
99.08092	1.0
105.07050	1.4
107.08626	1.8
109.10143	75.3
111.08092	3.6
117.07017	0.9
119.08584	5.9
128.06247	1.9
129.07001	1.2
131.08565	1.6
137.09636	2.8
141.07021	0.9
142.07768	1.3
143.08498	3.0
145.06441	0.8
145.10048	0.8
153.06973	1.1
155.08578	2.1
155.10620	3.5
157.10115	1.7
159.08096	0.9
159.11720	1.5
168.09315	3.0
169.10153	0.9
171.08015	0.8
173.05977	0.7
173.11725	21.3
173.13052	1.0
183.11687	7.9
187.07683	0.6
187.11211	1.1
201.12801	1.7
206.33646	0.6
209.11063	0.7
211.11232	0.8
229.08572	1.0
229.12247	5.3
229.14424	16.7
229.23628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01852	0.6
55.05493	0.3
56.96558	5.5
57.03418	0.9
58.06591	6.1
58.99850	0.3
59.07365	0.9
60.08156	5.8
61.02896	0.7
68.04999	1.0
69.03405	0.6
70.01199	0.7
70.01601	0.4
70.06582	28.2
72.08159	0.4
73.02895	0.7
81.07032	0.3
82.99858	0.3
84.04490	0.2
84.08108	0.8
85.02894	0.5
85.06492	0.3
86.09673	0.7
87.04452	0.3
91.05513	0.2
96.08113	1.1
97.02879	0.6
98.06033	0.6
98.97567	7.2
100.07608	0.4
101.00859	3.6
110.97541	0.3
114.05507	3.1
114.09174	1.3
115.02370	0.4
116.07088	0.5
116.98605	5.7
117.98964	0.3
119.01905	13.5
120.01980	1.2
124.07574	2.6
126.09121	0.6
126.98785	0.3
127.03973	0.3
128.98599	0.4
131.00142	0.2
131.01836	0.5
133.03433	1.1
134.01279	0.3
134.99641	4.0
135.03102	0.4
137.02921	3.8
140.02386	0.2
142.03540	0.5
142.08617	26.2
143.01894	0.2
143.08871	0.4
144.99783	1.0
145.03520	0.3
146.99590	0.4
149.01260	0.3
153.00677	0.4
153.06989	0.3
158.04861	0.5
158.99727	0.4
159.03281	0.3
160.02034	0.3
160.06444	0.6
161.02924	1.0
168.99854	1.2
170.04930	0.4
170.08125	1.8
173.02913	0.4
175.04564	0.3
176.84071	0.2
177.02408	0.5
183.11656	0.4
183.14891	0.4
187.00861	3.6
187.04602	0.6
188.00909	0.3
188.05919	0.7
189.04312	0.9
191.00317	0.2
191.03883	0.3
192.04637	0.5
196.99229	0.6
197.00931	0.4
201.02440	0.3
204.97804	0.2
205.00154	0.4
205.01904	1.6
205.03720	0.4
205.05766	0.7
206.06976	1.4
207.05339	0.7
215.00330	2.8
215.02185	0.4
219.01735	0.3
220.03935	0.4
224.08075	2.2
229.15440	100.0
230.06987	1.1
230.13818	2.8
230.15785	1.7
248.08075	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44372	0.5
53.03944	0.6
55.00538	0.6
55.05507	9.5
57.03429	17.9
57.07061	1.2
59.04987	5.3
65.03931	2.2
67.05496	100.0
68.05832	0.9
69.07064	2.1
70.86896	1.8
71.04985	3.8
79.05487	1.8
81.06612	1.0
81.07049	12.9
83.08613	7.1
85.06538	2.4
85.50957	0.6
86.10751	0.5
91.05472	6.9
93.07024	3.7
95.08597	4.9
99.08067	0.6
101.98579	0.7
103.59694	0.6
105.07012	1.4
107.08544	1.5
109.06474	0.7
109.10141	82.4
109.29859	0.6
110.02972	0.7
110.10452	0.9
111.08064	3.0
117.06982	0.6
119.08562	7.0
128.06183	1.8
129.06993	1.3
131.08516	1.9
137.09554	3.4
141.06967	0.7
142.07797	1.1
143.08540	2.6
145.06436	1.0
145.10129	1.2
153.06943	1.4
155.08450	1.9
155.10634	4.1
157.10056	1.0
159.08026	1.2
159.11629	1.4
164.06589	0.6
168.09312	2.8
173.05942	1.2
173.11720	24.3
173.13159	1.3
183.11681	6.6
187.11092	1.6
193.09978	1.1
201.12656	1.3
211.11086	1.5
228.02478	0.7
229.08527	1.2
229.12158	4.5
229.14272	23.1
229.19266	1.5
229.23517	0.9
232.14700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.61547	4.3
53.03935	6.1
55.05502	17.1
56.00385	4.3
57.03431	15.9
65.93161	4.1
67.05492	78.6
69.03389	6.4
69.07057	10.5
70.06567	7.1
71.48738	8.6
79.05479	19.2
81.07037	38.2
83.08608	9.3
86.49218	4.8
91.05473	30.2
93.07040	17.4
95.04978	10.8
95.08603	11.1
97.06516	6.5
99.04427	5.4
105.07024	34.6
107.04941	6.0
107.08604	12.3
109.06538	6.0
109.10137	61.5
115.05437	14.0
117.07030	11.4
119.08554	22.3
121.10103	9.3
128.06166	25.3
129.06967	21.9
131.04845	8.4
131.08534	24.6
133.10123	5.7
139.26556	4.7
141.06964	19.7
142.07753	19.1
143.08548	42.0
145.06480	16.3
145.10107	15.6
147.07901	5.6
147.11731	27.4
153.06979	21.0
154.07764	6.4
155.08551	34.9
157.10097	25.2
159.08038	13.5
159.11676	19.3
165.12733	10.1
168.09335	37.4
169.06493	5.6
169.10132	12.9
172.08833	6.3
173.05989	13.6
173.09602	11.1
173.11731	13.3
173.13120	11.6
175.11130	9.4
181.06516	4.9
183.08060	6.9
183.11670	100.0
185.13235	7.8
187.03894	8.3
187.07504	8.5
187.11162	22.2
201.09047	11.5
201.12695	27.7
211.11147	15.7
229.04912	22.2
229.08597	42.2
229.12279	82.0
229.14363	33.5
229.19473	11.9
229.23535	25.5
230.19031	8.3
247.13275	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03933	2.0
54.79260	1.5
55.05505	11.2
57.03413	6.4
57.07055	7.1
59.04979	5.2
67.05511	10.2
69.03403	7.2
69.07056	13.3
69.91735	4.1
69.92149	5.3
71.04983	41.2
71.05350	1.4
73.06527	3.9
75.07150	1.6
79.05492	9.7
81.03413	1.9
81.07049	24.8
83.04943	5.8
83.08597	7.1
85.06530	15.0
91.05474	11.3
93.07036	33.4
95.04957	100.0
95.08602	18.7
97.06514	21.6
97.10135	6.6
99.04444	25.6
99.07451	2.1
99.08083	36.7
100.11240	7.9
102.69433	1.8
105.07023	19.0
107.08581	41.8
109.06509	19.4
109.10156	17.4
111.08073	10.0
113.05950	1.9
113.09621	3.8
115.05438	2.9
115.07522	9.5
115.15022	1.5
117.07030	3.8
118.59191	1.4
119.08563	13.6
121.10126	46.5
123.08048	5.4
123.11694	9.9
125.09621	16.5
127.07549	16.9
131.08549	12.9
133.10117	35.9
135.08023	6.7
135.11673	12.3
137.09584	9.1
139.11162	13.7
143.04819	1.9
143.08514	1.9
143.10664	12.5
145.10068	4.8
147.11650	8.7
149.09538	3.9
149.13263	12.4
151.11166	11.9
152.06155	4.4
153.06947	4.6
153.09103	27.0
158.10886	3.2
161.02882	1.9
163.14809	8.1
165.06982	4.0
165.12680	3.2
166.07767	4.9
167.06958	4.4
169.12263	2.5
171.10176	19.8
173.13268	17.6
181.06465	3.8
181.08679	2.2
181.10109	9.2
184.05203	2.8
185.05952	4.6
191.14302	17.0
194.07233	2.5
195.06490	5.3
196.03853	2.0
197.05975	3.7
198.06706	4.8
199.07452	5.7
199.11145	1.8
209.09703	10.5
209.15298	15.3
212.08304	3.8
213.05380	1.8
227.06947	7.5
227.10645	26.3
227.16374	65.9
246.59863	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	227.1638
Annotation	Blumenol B
Peak:m/z	Relative Intensity
52.02658	0.4
53.00299	0.8
53.03932	1.4
55.05506	4.9
56.02649	1.6
57.03438	0.6
57.07076	0.6
59.33981	0.4
67.05497	23.3
68.71429	0.5
69.07063	5.1
69.37285	0.8
69.37621	4.5
69.50121	0.4
71.04984	100.0
72.05322	0.6
79.05481	9.8
81.07048	29.6
83.00507	0.5
83.04967	2.0
83.08604	3.2
85.06532	2.8
91.05475	6.0
93.07034	15.5
95.04984	2.0
95.08595	17.3
97.06524	3.8
97.10142	2.1
99.01119	0.5
99.08077	1.1
100.11257	1.4
105.04465	0.4
105.07012	2.6
107.04880	0.6
107.08582	6.3
109.06505	1.4
109.10142	3.4
111.08074	2.3
113.06003	0.8
117.07017	4.4
119.08608	1.7
121.06531	0.7
121.10158	1.7
125.09610	1.2
128.06255	0.7
129.07027	0.8
131.08539	4.4
133.10123	4.7
135.08044	0.9
135.11678	10.1
137.09671	0.4
143.08571	1.1
149.13264	5.2
151.07477	0.7
153.07077	0.5
157.10124	1.2
159.11682	7.3
161.13206	0.6
167.07063	0.7
171.11705	0.7
175.14835	1.2
177.12695	3.3
181.08627	0.8
181.10117	0.8
185.13196	0.7
189.11150	0.8
195.06485	3.0
195.13869	1.8
199.07491	0.5
209.09723	0.8
209.15450	0.9
227.07071	1.5
227.10628	2.5
227.12801	1.6
227.14430	1.4
227.17912	1.6
245.61688	0.5
245.76744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1743
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05490	0.2
56.96562	0.3
62.79818	0.2
67.05489	0.5
70.06595	0.2
78.36108	0.2
81.07060	0.3
81.85939	0.2
93.07049	0.2
95.08601	0.2
97.21738	0.2
101.61220	0.2
109.10130	0.3
112.22159	0.2
114.98603	0.2
129.06931	0.2
142.07791	0.2
143.08568	0.4
155.08536	0.3
156.08060	1.1
158.09636	0.4
164.11571	0.2
170.09637	1.3
171.10385	2.1
172.11194	0.4
183.11673	0.4
184.11197	1.2
185.11865	1.0
186.12784	0.3
196.06812	0.2
197.12094	0.2
198.12750	2.2
199.13443	0.4
201.12706	0.2
211.11270	0.3
212.14308	31.1
213.15067	3.8
218.04771	0.2
226.15822	0.4
228.17433	100.0
229.04958	0.2
229.08582	0.4
229.12202	0.6
229.17796	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	2.3
55.01845	3.7
55.05498	15.5
57.03421	8.7
57.07046	6.6
59.04973	6.5
65.03893	2.3
67.05492	13.6
69.03399	7.5
69.07057	17.9
70.07150	9.7
71.04984	34.7
73.06522	3.1
79.05477	11.4
81.07048	24.8
82.06538	2.4
83.04942	7.0
83.08587	8.5
85.06538	18.0
87.04438	7.1
91.05473	11.4
93.07026	31.7
95.04956	100.0
95.08588	21.4
97.06504	22.1
97.10124	7.1
98.21414	2.5
99.04449	35.5
99.08072	33.3
100.11238	21.4
105.07009	16.4
107.04919	3.0
107.08575	36.5
109.06520	18.1
109.09539	1.8
109.10145	14.7
111.04408	2.9
111.08066	9.5
113.05984	3.0
113.09557	5.6
115.07534	7.4
119.08557	12.5
121.10136	36.8
123.08010	5.7
123.11693	21.6
125.09615	20.9
127.07523	16.9
131.08589	9.8
133.09189	3.4
133.10115	39.3
135.07999	6.6
135.11691	13.4
137.09573	6.2
137.29289	1.9
139.11189	12.7
141.07021	2.6
141.11453	4.7
143.08568	2.8
143.10632	12.2
145.10083	3.8
147.11627	8.6
149.09613	2.8
149.13243	13.8
151.07437	2.2
151.11131	7.9
152.06149	3.5
153.07039	4.2
153.09070	30.0
163.11186	2.0
163.14735	7.4
163.64378	3.3
165.06790	2.3
165.12706	3.1
166.07799	3.9
167.04912	2.6
167.06961	8.6
169.12224	2.6
171.08047	2.0
171.10162	16.1
171.11479	3.3
173.13228	18.2
177.05399	3.6
181.06496	2.3
181.08595	2.7
181.10056	6.4
182.15341	3.8
183.13673	3.6
184.05144	3.7
185.06000	1.9
191.14261	16.7
194.07260	2.8
195.06375	3.5
199.07481	7.5
199.11156	2.3
204.47281	2.0
205.31436	1.8
209.09531	7.3
209.15257	18.0
212.08279	2.0
213.17735	5.9
227.03381	3.0
227.07088	10.5
227.10689	14.0
227.12550	2.3
227.16342	64.2
228.10117	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03935	1.2
55.01861	3.2
55.05241	1.4
55.05503	22.9
56.96550	1.9
57.03425	1.9
57.07068	2.0
58.28366	0.7
59.05000	0.8
67.05492	16.2
69.03432	0.8
69.07065	6.8
71.04980	3.2
71.60208	0.7
71.60658	1.1
79.05483	11.0
81.07045	23.2
83.04971	100.0
83.08614	7.4
85.06528	2.4
91.05472	5.0
92.05753	0.7
93.07032	19.8
95.04956	3.0
95.08593	14.7
97.06513	2.7
97.10157	4.9
99.08117	1.4
100.11260	2.2
105.07008	3.0
107.08585	16.8
109.06493	0.7
109.10152	4.3
111.08078	6.3
117.07017	2.6
119.08579	2.2
119.26115	0.7
121.06454	1.1
121.10120	11.5
123.08048	0.9
123.11709	1.4
125.09653	3.5
127.07518	1.0
131.08577	3.9
133.10168	2.0
135.08049	3.2
135.11650	3.8
139.07532	1.0
143.08542	1.3
145.10103	0.9
147.11681	1.0
149.09618	2.0
149.13240	7.5
153.09100	1.6
154.06305	0.8
157.10152	1.5
159.11649	3.3
163.14798	12.7
167.14348	0.7
169.70705	0.7
171.08142	1.0
171.11684	0.8
173.13240	4.4
175.02750	1.2
175.08723	1.4
177.12811	1.5
181.08646	0.9
181.10071	0.9
181.15891	3.0
184.09348	1.0
185.13329	0.8
189.11156	1.2
191.14299	7.5
193.09940	1.7
195.06505	2.9
209.15317	10.8
227.03342	0.9
227.07065	1.4
227.10616	1.3
227.12695	2.7
227.14401	2.1
227.17871	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03946	3.3
55.01847	2.3
55.05502	22.9
56.05012	2.5
57.03433	11.5
57.07067	5.4
58.24223	1.7
65.03930	3.5
67.05496	75.2
69.07066	21.1
71.04987	11.0
71.08617	1.9
71.65895	2.9
73.02913	1.8
79.05479	39.8
81.03398	2.7
81.07041	100.0
83.04969	14.1
83.08620	16.8
85.02915	2.0
85.06518	4.9
88.97679	1.8
91.05463	24.4
93.07028	67.5
95.04950	7.1
95.08595	28.1
97.06521	12.8
97.10127	5.9
99.08035	2.5
100.11238	5.6
105.07008	10.2
107.08577	33.1
107.42367	1.9
109.06487	4.2
109.10132	4.3
111.08086	7.8
117.06979	12.5
119.08564	5.6
121.10136	15.8
123.11715	4.0
125.09599	5.7
128.06256	2.7
129.06935	2.9
131.08551	11.6
133.10071	12.0
135.08064	4.0
135.11678	16.3
139.11110	2.3
143.08578	4.2
147.11771	2.1
149.13240	47.5
157.10083	4.3
159.11697	25.1
171.11650	2.5
177.12755	8.7
185.13332	2.3
195.06569	3.5
195.13730	11.2
227.06990	2.7
227.10568	3.5
227.12775	5.9
227.14493	3.4
227.17952	9.4
227.21996	5.1
249.46178	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.00663	1.6
53.03928	3.5
55.01855	6.3
55.05272	2.2
55.05503	24.1
57.03421	6.3
57.04103	1.6
57.06842	1.8
57.07067	23.4
65.03936	2.7
67.05494	41.8
69.03421	36.7
69.07056	22.4
70.05444	4.3
70.05872	6.2
70.06570	2.1
71.04977	23.7
71.08633	1.7
72.08111	2.3
73.02898	2.1
73.85203	1.9
79.05476	43.5
80.04989	1.6
81.03393	6.0
81.07046	26.7
83.04970	24.7
83.08606	10.9
85.02922	3.9
85.06530	100.0
86.09690	3.4
91.05459	30.5
93.07031	45.7
95.04957	18.9
95.08596	19.6
97.02887	6.4
97.06520	15.7
97.10146	7.0
99.04448	3.7
99.08090	11.4
100.11234	27.4
103.05450	4.3
105.07012	31.2
107.04935	15.7
107.08580	59.8
109.06516	13.0
109.10140	9.8
111.04440	19.9
111.08070	4.3
113.05971	2.3
113.09623	2.2
115.03915	21.9
115.05470	2.6
117.06977	8.8
119.08553	25.4
121.06499	18.9
121.10124	37.9
123.04387	5.3
123.08067	9.2
123.11678	6.6
125.05995	11.0
125.09622	7.8
127.03858	2.2
127.07555	2.8
128.06155	3.0
129.05479	12.1
129.06989	8.0
131.04929	2.4
131.08551	80.0
133.10133	12.4
135.08044	7.1
135.11694	15.6
137.05933	3.9
137.09589	10.3
137.13237	2.9
139.07516	4.9
139.11174	3.2
141.09062	2.6
143.04883	5.2
143.07019	8.1
143.08546	3.5
145.06406	3.0
145.10112	36.5
147.04378	4.2
147.08023	7.2
147.11711	3.2
149.05946	6.5
149.09595	70.6
149.13235	5.5
151.11090	3.9
153.05392	5.4
153.06929	5.3
153.09058	4.4
155.07033	6.6
155.08432	3.5
161.13226	2.7
163.11162	24.8
163.14772	12.4
165.09120	9.9
165.12718	2.7
167.07018	36.9
167.08406	1.3
167.10657	32.8
171.07925	2.3
171.10170	3.0
173.09624	10.2
173.13284	7.8
177.05452	9.5
179.10658	2.3
179.14275	8.7
181.04893	2.7
184.05246	2.2
191.10638	57.9
191.14270	13.4
195.06467	2.7
197.15369	12.2
199.07513	3.7
209.08038	4.7
209.09766	2.5
209.11693	49.4
209.15315	10.1
213.17653	2.3
227.07065	7.5
227.10657	4.5
227.12723	16.1
227.16145	18.0
235.79665	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.4
55.05503	29.3
57.03429	10.0
57.07051	5.5
60.31217	3.8
65.03942	4.7
67.05505	32.3
69.03417	9.8
69.07064	33.3
69.85607	4.6
71.04614	5.9
71.04980	76.7
71.63383	9.2
71.63734	4.7
78.04700	7.7
79.05494	26.4
81.07059	46.0
83.04974	13.1
83.08606	18.1
84.04485	7.1
85.06555	32.8
86.09685	7.9
91.05482	37.2
93.07044	48.0
95.04959	50.2
95.08611	37.2
97.06506	17.8
97.10162	9.9
99.04449	97.4
99.08085	14.6
100.11246	67.0
103.05460	15.7
105.07032	40.6
107.04967	11.5
107.08590	53.5
108.08210	4.2
109.06501	31.2
109.10143	48.9
111.08031	7.0
113.09655	10.1
115.05478	6.2
117.07003	18.4
119.08578	35.1
121.06521	22.4
121.09357	8.3
121.10136	69.8
123.04399	11.9
123.08070	21.3
123.11720	13.6
125.09614	14.4
128.06148	10.7
129.06984	7.0
131.04936	7.2
131.08568	29.2
133.10117	84.6
135.08026	19.5
135.11685	12.5
137.05923	8.8
139.03915	5.0
139.07483	4.5
139.11168	11.2
141.07001	7.9
143.08510	12.0
145.10101	14.1
147.04323	4.8
147.11646	18.5
148.05209	8.2
149.05943	16.6
149.09615	10.5
149.13242	25.7
151.07451	5.5
151.11168	28.3
152.06160	7.0
153.06927	14.7
153.09053	8.7
154.12253	10.1
155.06999	6.1
157.10187	4.7
158.10916	7.5
161.13266	25.9
163.11053	6.7
163.14824	7.8
165.06934	7.5
166.07716	9.2
167.04890	11.1
167.07030	100.0
167.10692	5.8
169.06395	5.3
169.12306	4.8
171.07999	5.1
171.14900	17.6
173.13251	59.2
177.05428	33.8
179.14291	7.0
181.04965	7.7
181.06447	18.1
181.08612	10.5
181.10135	18.6
183.13797	19.8
184.05219	7.9
191.14342	38.9
194.05681	8.1
195.06520	28.6
197.06029	5.8
198.06860	5.0
199.07504	30.9
199.11235	10.6
205.85391	4.4
209.07881	26.5
209.09631	20.9
209.15367	19.3
212.08267	6.7
227.07054	49.6
227.10727	53.9
227.14482	5.2
227.16235	8.3
227.17870	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	2.4
55.01855	5.5
55.05508	7.5
57.03431	2.0
57.07055	6.9
60.69791	1.3
65.03917	1.8
67.05495	34.1
69.03415	5.9
69.07053	8.6
70.06567	1.9
71.04985	19.1
79.05479	31.5
81.03410	2.9
81.07032	11.0
81.49408	1.8
83.04967	11.8
83.08575	3.1
85.06529	100.0
86.09671	2.3
91.05473	22.1
93.07033	30.4
95.04947	10.2
95.08591	5.0
97.06510	5.7
99.08058	4.6
100.11229	7.5
105.07010	22.9
107.04935	15.6
107.08575	35.1
109.06498	6.0
109.10143	4.2
111.04423	15.3
115.03960	1.9
115.05425	1.7
116.06268	1.5
117.06993	8.9
119.08566	20.2
121.06490	17.2
121.10126	25.4
123.04385	3.8
123.08087	2.3
123.11691	1.9
125.05973	7.0
125.09627	1.3
129.06990	7.2
130.07764	2.2
131.08545	70.1
133.10089	3.5
135.08005	3.4
135.11676	6.5
137.05949	3.2
137.09579	6.1
139.07529	1.9
140.04688	2.9
141.05437	2.6
143.07057	1.4
143.08615	2.3
145.10100	29.3
147.08037	6.2
147.11642	2.9
149.05934	5.2
149.09596	71.7
151.11148	1.6
153.05435	3.1
155.07005	3.9
163.07564	2.0
163.11160	25.2
163.14774	2.6
165.09106	11.2
167.07008	18.1
167.08406	2.3
167.10641	33.7
173.09604	7.5
177.05486	3.6
181.10017	1.7
183.21230	1.5
191.10643	57.8
191.14203	1.9
194.09186	1.4
195.06526	1.7
197.11731	2.0
207.72488	1.6
209.08003	2.8
209.09692	3.0
209.11696	52.5
217.92709	1.3
226.09200	1.4
227.06982	2.7
227.10643	2.7
227.12708	16.2
227.16185	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	227.1275
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03915	2.9
55.01857	10.5
55.05257	2.2
55.05503	32.7
57.03414	5.4
65.03925	2.4
67.05164	2.8
67.05497	28.7
69.03414	2.1
69.07066	15.6
71.04990	11.2
71.58589	2.8
79.05037	2.6
79.05482	41.9
81.03389	4.4
81.06638	2.2
81.07050	32.6
83.04945	7.1
83.08624	18.0
85.06557	2.4
91.05472	16.0
93.07037	48.1
95.04955	13.7
95.08592	62.5
97.02849	7.7
97.06485	6.0
97.10158	11.7
99.04407	6.5
100.11210	7.6
103.05491	2.7
105.07023	10.0
107.04929	11.6
107.07934	3.2
107.08581	34.7
108.08961	2.0
109.06487	2.7
109.10089	6.9
111.04424	2.6
111.07984	2.3
115.05408	2.2
117.06983	12.2
118.91086	2.0
119.08588	11.4
121.06504	10.9
121.10142	16.0
125.05933	4.0
125.09647	11.2
128.06166	3.4
129.06906	3.0
133.10094	5.9
135.07967	3.1
135.11678	64.1
142.07712	2.9
143.08511	6.7
145.08997	2.6
145.10109	32.4
151.07477	5.2
155.60045	2.1
157.10085	5.2
159.11604	3.2
163.11168	88.2
164.11334	2.1
167.06929	3.1
169.06415	2.3
169.22627	2.1
171.07959	2.5
171.11606	5.1
181.08537	5.0
181.10030	2.6
181.10794	2.1
181.12187	17.6
185.09567	2.6
185.13153	3.9
189.11168	6.2
195.06546	22.6
199.07541	5.0
199.14767	2.3
209.07872	2.7
209.09686	3.8
209.11472	2.6
227.06870	7.3
227.10522	11.1
227.12695	100.0
227.17599	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	227.1274
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03929	2.0
55.01857	3.5
55.05506	6.2
57.03428	1.2
57.07070	5.5
65.03932	1.8
67.05491	30.9
69.03397	2.4
69.07065	6.9
69.81559	6.1
71.04983	19.3
73.02908	1.7
79.05029	1.5
79.05479	30.4
81.03399	2.0
81.07047	6.2
83.04966	8.2
85.06528	100.0
91.05460	20.3
93.07026	24.9
95.04959	10.9
95.08572	1.5
97.06496	4.5
98.21383	1.3
99.08059	5.3
100.11224	2.9
105.07014	21.2
107.04939	12.7
107.08573	30.0
109.06488	4.7
109.10122	1.5
111.04431	16.4
116.06181	2.0
117.07000	6.7
119.08565	17.5
121.06487	13.7
121.10126	22.4
123.04362	2.5
123.08042	1.9
125.05978	8.5
127.03919	1.3
129.06981	6.2
130.07710	1.7
131.08545	64.0
132.08809	1.0
133.10060	1.7
135.08017	2.2
135.11661	6.9
137.05930	2.4
137.09596	6.9
139.07576	1.6
140.04637	1.7
141.05481	1.7
143.08565	1.7
145.06470	1.4
145.10091	31.1
147.07980	4.6
147.11629	2.1
149.06026	2.4
149.09593	66.1
153.05447	5.1
155.06993	5.3
161.09674	1.3
163.07533	2.5
163.11156	22.2
165.09082	10.2
167.06960	3.4
167.10637	31.3
173.09613	8.5
179.10669	1.4
181.04955	3.0
191.10641	55.6
197.11731	2.4
209.08217	2.0
209.11703	49.0
210.12122	1.5
227.06970	1.2
227.12730	20.7
227.16171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01855	6.9
55.05505	26.3
57.03409	5.0
67.05495	34.7
69.07040	16.8
69.87498	28.6
71.04974	7.8
73.02868	5.4
79.05479	36.6
81.03394	5.2
81.07046	23.3
83.04939	9.8
83.08595	16.9
89.22263	5.3
91.05455	12.3
93.07039	48.2
95.04958	17.1
95.08598	55.2
97.06529	7.5
105.07007	15.1
107.04948	17.3
107.08583	34.9
117.06997	11.1
119.08586	11.2
121.06490	8.2
121.10134	18.1
133.10117	7.1
135.11671	57.1
139.05388	6.8
143.04932	5.6
145.10092	24.9
155.03853	4.7
163.11156	90.5
167.04950	11.6
167.07024	19.9
171.11688	7.7
178.78534	4.4
181.06464	6.1
181.12196	19.9
184.05219	6.9
184.12560	5.4
185.05870	5.1
194.07185	5.2
195.06430	25.2
198.05354	4.7
199.07547	13.9
212.14322	36.2
227.03412	9.9
227.06998	27.9
227.10609	13.3
227.12683	100.0
227.17992	5.9
228.17435	92.7
239.02791	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03920	1.4
55.01875	6.2
55.05503	14.7
55.40460	1.2
56.10581	1.1
56.96558	1.9
57.03420	3.9
57.07069	10.0
65.03918	2.3
67.05154	2.2
67.05492	32.5
69.03424	10.1
69.07062	15.0
70.87116	3.2
70.87479	1.3
71.04627	1.8
71.04987	22.9
72.60993	1.2
79.05037	2.3
79.05482	32.0
80.25475	1.2
81.03389	1.7
81.07044	15.5
83.04987	8.8
83.08622	7.4
85.06530	100.0
86.09671	3.2
87.04444	1.9
91.05473	23.6
93.07037	33.3
95.04957	13.4
95.08594	12.5
97.02864	1.7
97.06522	8.1
97.10152	3.7
99.04419	6.4
99.08074	8.5
100.11246	15.8
100.80025	1.4
103.05451	3.9
105.07014	22.6
107.04953	12.8
107.08579	40.1
109.06502	8.8
109.10123	7.8
111.04438	16.4
111.08047	3.5
115.03909	5.4
115.05432	1.9
115.07541	1.1
117.07018	7.9
117.07687	1.3
119.08568	17.6
121.02849	1.2
121.06499	15.9
121.09290	2.3
121.10136	34.9
123.04389	4.6
123.08071	6.6
123.11683	6.8
125.05973	8.0
125.09601	4.5
127.07512	1.4
128.06195	4.7
129.05499	1.6
129.07005	9.1
129.14424	1.1
130.07764	1.6
131.04958	3.1
131.08553	59.9
132.08899	2.1
133.06415	1.2
133.10127	8.6
135.08026	4.1
135.11693	11.0
136.05147	1.9
137.05927	3.2
137.09624	8.4
137.13174	1.9
139.07518	3.4
139.11156	3.7
141.05446	2.1
141.06950	2.1
142.07718	2.3
143.07137	1.2
143.08540	4.9
145.06493	3.6
145.09018	1.4
145.10114	24.2
147.08015	5.4
147.11655	5.6
149.05974	4.2
149.09601	73.9
149.13239	6.4
151.07515	2.2
151.11148	5.5
152.06134	2.7
153.05446	4.8
153.06972	10.6
153.09055	3.9
154.06221	1.5
155.06966	3.6
155.08368	2.0
156.09271	1.7
157.06412	2.1
157.87770	1.2
159.14885	1.2
161.13182	1.7
163.07541	2.9
163.11163	23.4
163.14796	5.5
165.07014	2.9
165.09088	10.9
166.07700	3.0
166.12456	1.5
167.07042	18.2
167.10666	37.2
168.10995	1.4
169.06516	1.9
171.07990	4.2
171.09216	1.8
171.11703	1.3
173.09587	7.6
173.13260	4.8
177.05482	4.1
179.14192	2.7
181.04964	2.5
181.06450	12.1
181.08592	3.0
181.10101	4.5
184.05157	2.9
185.06046	1.5
185.13193	1.3
191.10648	51.7
191.14293	5.9
194.05737	1.7
194.07330	2.0
195.04948	1.3
195.06454	6.9
197.05952	3.6
197.11751	2.3
197.15399	1.6
198.06790	2.9
199.07503	59.7
199.11124	1.9
200.07899	1.6
209.06039	1.8
209.07974	4.5
209.09665	7.0
209.11665	49.4
209.15300	7.3
212.08348	2.1
227.03485	1.6
227.07007	30.0
227.10591	13.6
227.12752	17.5
227.16418	6.7
228.10358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03917	0.9
55.01866	5.8
55.05498	4.6
57.03411	1.0
57.07055	1.1
65.03925	8.9
67.05499	6.8
69.03408	4.1
69.07066	4.2
70.83248	2.6
71.04980	2.8
71.30509	0.7
73.02909	36.0
77.03935	0.9
77.33581	0.7
79.05469	5.8
81.03398	2.3
81.07049	5.8
82.04177	3.3
83.04960	2.4
83.08595	2.0
85.02886	5.8
85.06538	6.2
86.09686	1.8
91.05489	6.3
93.03384	1.8
93.07027	6.4
95.04958	14.6
95.08593	2.8
97.02842	1.9
97.06499	3.3
97.09292	0.7
97.10123	0.9
99.04428	1.1
99.08100	1.2
100.11259	7.7
101.02320	0.8
103.05420	1.6
105.07005	3.6
107.04935	2.2
107.08588	5.9
108.02083	1.5
109.06492	3.3
109.10147	1.6
110.03643	4.2
111.04466	3.5
111.08065	1.8
113.09632	0.7
117.07003	1.1
119.04927	0.9
119.08549	2.6
121.06498	3.7
121.10141	4.9
123.04399	8.3
123.08056	2.4
123.11678	2.7
125.02325	2.5
125.05959	2.1
125.09584	2.3
131.04948	0.9
131.08540	5.1
133.10078	2.1
135.08052	1.5
135.11639	1.4
137.05949	1.4
137.09612	1.2
138.03093	2.5
140.04668	51.3
142.02553	3.7
145.10100	2.5
147.11627	1.1
149.05969	1.7
149.09598	7.9
153.05449	3.1
153.07034	1.1
153.09102	3.2
155.07013	53.3
163.11180	2.3
165.09050	0.8
165.12671	1.4
167.07005	8.2
167.10634	4.9
171.06538	6.3
173.08107	5.0
173.13214	1.4
177.05490	1.8
179.06998	3.0
179.14291	2.6
181.04933	100.0
183.13763	1.5
191.10716	3.6
191.14250	2.1
195.06506	2.3
199.07394	1.3
209.08032	15.8
209.11726	2.0
209.15141	5.3
227.06955	2.0
227.08992	12.7
227.12569	1.2
227.16240	1.1
227.17668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Genipin
Peak:m/z	Relative Intensity
52.85004	0.6
53.03933	1.3
55.01849	1.1
55.05504	4.2
55.75927	0.6
57.03414	2.5
57.07059	1.5
57.59856	0.5
59.04981	2.2
60.92212	0.6
63.09010	0.6
63.59731	0.5
65.03929	1.6
67.05495	5.1
69.03402	2.8
69.07056	5.7
71.04985	7.2
73.02885	0.8
78.04710	3.6
79.05482	6.0
80.06253	2.5
81.07049	7.0
83.04984	3.8
83.08617	2.9
85.06519	4.4
86.09708	1.5
90.04655	0.6
91.05463	8.0
93.03399	1.4
93.07030	10.1
95.04954	25.3
95.08587	5.3
97.02863	0.6
97.06517	5.2
97.10159	1.7
99.04441	3.0
99.08078	8.1
100.11251	3.9
105.03352	0.8
105.07012	4.8
107.04942	7.0
107.08582	9.5
108.05728	5.3
109.06507	5.6
109.10145	4.6
111.04372	1.2
111.08062	3.5
111.11655	0.6
113.06010	1.0
113.09643	0.7
115.07556	1.8
119.08572	2.5
121.02851	5.3
121.06496	5.7
121.10126	9.4
122.07294	1.3
123.04389	2.6
123.08050	1.6
123.11668	2.5
125.05988	0.9
125.09632	5.2
127.07533	4.2
128.06175	1.2
131.04919	0.7
131.08560	1.8
133.10121	7.8
135.04373	1.5
135.08046	2.1
135.11639	3.1
136.05177	27.3
137.05920	1.7
137.09587	2.0
138.06747	4.5
139.03876	4.4
139.07498	1.1
139.11172	4.3
140.04750	0.7
143.08488	0.8
143.10660	2.1
145.10129	2.0
147.11679	1.9
148.05148	1.5
148.88284	0.5
149.02341	0.9
149.05946	2.3
149.09633	1.9
149.13240	3.4
151.07523	67.4
151.11128	2.7
152.07884	1.1
153.05513	0.9
153.07019	1.5
153.09091	11.2
154.06230	23.6
155.06918	1.1
159.04279	0.9
161.13286	0.6
163.03896	5.6
163.07536	0.6
163.11125	1.0
163.14745	2.5
164.04704	2.2
165.05486	0.8
165.12773	1.8
166.06296	5.3
166.07698	1.0
167.07030	7.4
167.10623	1.5
169.08580	9.0
171.08012	1.0
171.10149	4.9
173.13239	3.7
177.05470	1.5
178.04701	1.4
178.06229	24.1
179.03397	3.5
179.07024	5.3
181.05055	1.9
181.08571	100.0
182.08910	1.9
191.14294	4.0
194.05711	6.1
195.06519	1.5
199.07437	3.4
199.11180	0.9
209.08063	37.6
209.15213	3.4
210.08302	0.6
227.06990	2.7
227.09096	6.4
227.10722	2.1
227.16313	14.0
229.49086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01856	4.0
55.05244	1.6
55.05502	31.3
56.17552	1.0
56.96556	1.5
57.03424	4.9
57.07067	1.6
59.04969	1.6
65.03938	2.0
67.05143	2.1
67.05492	26.7
69.03420	5.9
69.07063	10.0
69.79004	3.0
69.79438	5.1
71.04993	5.8
79.05482	25.8
81.03405	100.0
81.07042	29.4
82.03730	1.5
83.04967	28.1
83.08610	35.5
85.02856	1.3
85.06549	2.7
91.05469	29.5
93.07034	15.4
93.39806	1.1
95.04954	38.1
95.08604	10.5
97.02888	2.4
97.06500	4.5
97.10153	5.0
98.26965	1.1
99.04441	4.5
99.08076	2.2
103.05479	1.3
105.03358	3.4
105.07017	21.1
107.04933	9.0
107.08569	10.3
109.06490	7.6
109.10143	2.5
111.04401	3.4
111.08065	11.9
115.05407	1.7
117.06976	1.9
119.04945	2.0
119.08560	16.5
121.06521	1.4
121.10117	9.9
123.04419	3.8
123.08058	4.7
123.11683	2.4
125.05966	2.9
125.09570	2.4
128.06229	1.3
129.06998	11.2
131.08542	12.4
133.06454	3.9
133.10107	10.6
135.11662	1.3
137.05927	1.6
137.09608	2.4
138.06738	17.6
139.03854	10.2
139.07504	1.8
141.06969	3.9
142.07736	3.2
145.10146	1.2
147.08035	4.7
147.11665	11.9
147.12755	1.6
149.09595	9.3
151.11160	2.0
153.05467	2.8
154.06230	32.7
154.07553	1.9
155.08572	2.7
157.10100	17.5
163.11189	2.0
165.12766	3.1
167.07051	2.8
168.05692	1.9
168.07806	4.5
169.06459	2.1
169.08604	22.3
169.10088	3.7
175.11163	18.3
178.07797	1.8
179.07040	1.4
179.08548	4.1
181.06482	1.7
182.05859	1.8
182.07300	2.4
183.08029	3.9
183.11652	2.1
193.12216	45.5
194.12543	1.7
197.05975	9.6
197.08063	15.4
197.09671	5.1
207.06424	3.4
207.13754	2.2
210.06735	3.9
225.05585	16.5
225.09103	27.5
225.12744	2.1
225.14500	5.5
225.16650	1.9
226.06235	5.4
226.09561	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03930	1.9
53.40420	0.4
54.15867	0.4
55.01849	1.9
55.05503	3.4
56.96546	0.6
57.07051	1.2
59.73149	0.4
65.03911	1.4
67.05499	4.4
69.03422	5.6
69.07050	1.8
70.06556	0.7
71.04980	2.6
71.65841	0.7
71.95982	0.4
73.02914	3.4
74.48638	0.4
77.03911	0.4
78.04699	3.3
79.05479	5.6
81.03384	1.3
81.07046	6.5
83.04949	1.8
83.08598	1.5
85.02886	0.8
85.06538	5.4
86.09701	2.5
89.03915	1.2
91.04935	0.5
91.05473	9.9
93.07028	7.6
95.04395	0.7
95.04954	7.4
95.08590	1.8
96.04394	0.5
97.06519	3.8
97.10143	0.9
99.04425	1.2
99.08038	0.5
100.11240	11.3
103.05453	8.5
105.03336	0.9
105.07023	2.3
106.04154	2.2
107.04941	4.6
107.08585	5.9
109.06508	2.3
109.10136	1.2
110.03632	1.0
111.04430	1.0
111.08083	0.9
113.05974	0.5
115.75346	0.5
117.03347	1.2
117.06961	0.9
119.04928	1.8
119.08527	2.1
121.06495	13.6
121.10131	4.3
122.03604	1.3
123.04416	10.2
123.08052	2.1
123.11691	5.3
124.05206	3.3
125.05978	1.1
125.09581	0.7
128.06171	0.8
129.06981	1.2
131.04922	6.4
131.08551	4.0
132.05307	0.6
133.02815	1.0
133.06412	0.5
133.10078	1.2
134.03629	2.1
135.04404	2.5
135.11668	1.0
137.05968	9.1
137.09561	0.6
138.03040	0.5
139.03868	0.7
140.03641	0.8
140.04657	8.2
141.06946	0.6
143.08481	0.7
145.02826	1.4
145.10095	2.0
147.04340	1.2
147.11644	1.3
148.05156	2.3
149.05957	14.2
149.09619	5.2
151.03885	1.3
151.11101	0.4
152.04636	2.5
153.05489	0.8
153.06944	0.9
153.09053	0.6
155.07002	6.2
159.04393	3.5
163.03833	1.5
163.07474	1.0
163.11154	1.5
165.05457	1.1
165.09023	0.6
165.12776	1.4
166.06284	0.6
166.07658	0.7
167.07018	100.0
167.10654	2.7
168.07394	2.5
169.06398	0.8
173.08159	0.6
173.09608	0.7
173.13176	0.5
176.04683	1.2
177.05449	28.3
178.06032	0.5
179.07042	0.5
179.14171	0.5
181.04924	8.6
181.06429	0.8
181.08548	1.7
181.10007	1.0
183.13846	3.4
184.05240	0.7
185.05989	0.5
191.07016	1.3
191.10526	2.9
191.14342	1.2
194.05725	0.8
195.06488	0.6
197.05992	0.5
199.07526	1.2
199.11096	0.5
209.08025	7.6
209.09692	0.9
209.11737	2.3
209.15173	9.1
210.14801	0.6
212.08311	1.1
227.07085	3.2
227.08751	0.9
227.10899	3.8
227.16280	0.6
227.17567	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	225.1482
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03929	3.0
55.01854	4.8
55.05502	26.8
56.96557	2.5
57.03409	5.4
57.07057	2.1
60.26999	1.3
65.03928	1.7
67.05492	22.3
69.03405	5.1
69.07050	8.1
69.48589	11.6
71.04973	4.5
72.28352	1.2
72.66322	1.2
73.06529	1.5
79.05480	27.6
81.03406	100.0
81.07040	28.3
83.04966	28.7
83.08600	31.5
85.02892	1.5
85.06527	3.0
91.05463	27.6
93.07025	13.4
95.04950	33.4
95.08601	9.5
97.02865	3.1
97.06513	2.9
97.10145	4.9
98.20736	2.8
99.04454	2.4
99.08066	1.7
101.95003	1.3
105.03358	1.8
105.07012	16.6
107.04942	6.9
107.08578	7.1
109.06521	7.9
109.10113	3.1
111.04445	5.9
111.08078	13.8
114.02183	1.1
115.05442	1.8
117.06973	1.4
119.04946	1.5
119.08553	16.7
121.06485	2.7
121.10119	8.0
123.04416	4.1
123.08036	4.1
123.11660	3.0
124.05209	1.5
125.05965	2.7
125.09635	2.1
128.06189	1.6
129.07001	10.1
131.08548	10.1
133.06430	3.9
133.10112	8.9
138.06723	20.4
139.03873	11.8
139.07463	2.8
141.06891	2.3
142.07693	1.4
147.07999	3.0
147.11639	10.4
149.09598	8.7
151.11195	1.4
153.05420	4.1
154.06223	35.7
154.07474	1.5
157.10097	13.5
165.12709	3.0
167.03340	1.7
167.07031	1.9
167.10738	1.8
168.07822	6.6
169.08603	23.2
169.10017	2.3
175.11150	14.6
179.08568	3.3
179.14191	1.5
182.05823	1.2
182.07303	1.9
183.08037	3.3
193.12209	48.0
197.08057	16.3
197.09680	2.7
210.06715	3.6
225.05698	1.4
225.09167	18.5
225.12759	2.3
225.14793	3.8
226.09572	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	225.1482
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.31197	0.9
53.03922	1.7
55.01854	1.1
55.05504	6.4
57.03406	1.2
57.07063	6.9
59.04989	2.1
67.05488	6.1
68.99782	1.2
69.03403	2.7
69.07063	7.6
70.99516	1.4
70.99844	1.5
71.01345	2.0
71.04985	36.5
77.65725	1.0
79.05487	5.7
81.03393	2.3
81.07047	13.0
83.04969	5.9
83.08621	8.3
85.02876	3.0
85.06521	1.1
85.48258	1.1
86.05836	0.9
91.05463	8.6
93.07025	6.1
95.04946	4.4
95.08588	13.3
97.06523	13.1
99.04443	100.0
99.08080	2.6
105.03400	2.0
105.07026	7.1
105.23389	0.9
107.04903	1.5
107.08582	37.9
109.06506	25.6
109.10129	3.7
111.04418	2.2
111.08054	2.2
111.11691	1.8
113.09621	3.6
119.04911	2.8
119.08548	4.8
121.06488	2.2
121.10136	13.9
123.04433	2.5
123.08050	17.7
123.11690	18.8
125.05982	3.0
125.09614	8.4
127.07514	1.9
131.08591	1.7
133.10109	1.9
137.09590	5.8
137.13264	3.6
138.06738	4.6
139.03857	1.7
139.11169	5.9
141.06908	1.6
141.12679	1.7
147.04398	3.5
147.11661	7.7
149.09596	10.3
151.07585	1.4
151.11191	1.9
153.05420	1.6
153.12697	2.4
154.06207	7.3
161.13210	4.0
163.11157	2.0
165.07018	1.1
165.12721	12.4
167.07033	2.0
167.10655	25.8
169.05180	1.8
169.08575	4.6
171.11618	1.7
175.03911	2.5
178.22646	1.1
179.08476	1.2
179.14273	2.9
180.04170	1.2
180.66415	1.2
181.06386	2.0
182.07237	1.6
183.13791	38.7
189.12776	4.9
192.04311	1.4
197.05981	1.6
197.08006	2.4
197.09650	1.4
207.06451	5.4
207.13806	7.5
225.05505	2.4
225.09262	7.3
225.12764	1.8
225.14729	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.86219	0.7
53.24084	0.7
55.05507	2.0
55.41505	0.7
57.07056	1.4
67.05500	4.4
67.48827	0.7
69.03407	1.7
69.07050	2.2
71.04980	1.5
71.15173	1.9
79.05484	3.9
81.03362	1.0
81.07046	19.0
83.04957	2.1
83.08600	1.5
85.02893	100.0
91.05463	3.5
93.07021	3.3
95.04938	2.5
95.08598	4.7
99.04436	3.6
102.78920	0.8
105.07010	3.4
107.04910	0.9
107.08575	8.1
109.06499	2.2
109.10140	11.8
111.04415	0.7
119.04901	1.5
119.08598	4.0
121.06467	1.4
121.10123	10.1
123.08052	4.0
123.11691	73.2
124.11961	1.0
125.05988	6.0
125.09608	2.5
131.08476	0.9
133.10107	1.0
137.06052	1.2
137.09587	1.5
139.07547	0.7
139.11148	1.2
141.05420	0.8
141.41988	0.8
145.10132	1.5
147.04398	1.2
147.08017	1.5
147.11649	3.2
149.09604	8.6
151.07515	2.7
154.06206	1.2
161.09529	1.4
161.13219	1.5
163.11209	1.3
165.12740	1.8
167.10617	1.6
169.08633	1.2
171.11641	1.1
175.03847	1.7
183.13870	0.8
189.12671	4.6
192.04175	1.0
193.04964	0.9
207.06496	2.1
207.10155	0.8
207.13777	13.2
225.07292	1.0
225.09085	2.1
225.14807	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55925	0.7
59.26256	0.6
61.66468	0.6
62.03859	0.5
62.73719	0.6
65.03933	0.9
67.05476	1.0
68.99773	0.6
70.64931	1.7
70.65289	0.8
79.05475	1.8
81.07035	1.4
83.04976	1.6
91.05465	1.5
93.03385	1.6
95.04954	3.6
96.05724	1.5
97.06535	0.8
99.04453	1.2
105.03375	0.7
105.07016	0.8
107.08520	0.6
108.05727	1.2
108.80693	0.7
109.06495	3.6
111.04423	8.9
111.08064	0.7
119.04924	1.9
119.17383	0.6
122.03636	1.6
123.04414	13.8
123.08054	0.8
124.05231	3.1
125.05962	4.9
126.06740	1.6
126.18045	0.5
133.10135	0.7
134.59923	0.6
137.05963	1.3
137.09673	0.6
138.06741	58.0
139.03882	29.7
139.04993	0.8
139.07547	8.0
145.10184	0.7
147.04402	1.0
151.03902	0.6
153.05446	10.4
154.06230	100.0
155.06636	1.1
167.03407	4.8
167.07045	6.3
167.10657	0.8
168.07808	13.4
168.09183	1.1
169.08582	69.6
170.08969	1.0
175.03903	1.8
181.04918	1.1
182.05759	5.0
182.07231	0.9
183.07971	0.6
192.04143	1.0
195.06465	0.9
197.08067	39.9
198.08398	0.7
207.06490	2.3
207.13689	1.1
210.06847	0.7
225.07402	9.3
225.09070	1.4
225.14659	0.6
230.94582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
55.05493	10.3
56.96558	6.5
56.98876	3.4
57.03417	4.4
57.07051	6.7
67.05488	12.2
69.03407	8.5
69.07045	12.5
69.49753	32.3
70.73695	4.4
71.04976	8.1
79.05468	13.7
81.03397	5.9
81.07062	19.9
83.04948	11.8
83.08621	7.7
85.06548	4.2
91.05463	10.9
93.07015	11.3
94.84754	3.7
95.04937	12.2
95.08595	19.6
97.06525	5.8
97.10165	4.5
99.04426	10.2
105.03365	10.2
105.07023	8.5
107.04935	4.6
107.08561	10.2
109.06480	10.7
109.10147	4.4
109.92250	3.8
111.04407	8.9
111.08018	4.4
119.04905	3.4
119.08540	7.7
121.10142	8.5
123.04414	12.8
123.08007	6.6
123.11703	5.0
124.31079	4.0
124.77934	3.6
125.05968	5.8
125.30601	3.1
129.06947	4.1
133.10098	4.8
138.06750	60.9
139.03882	31.7
139.07518	7.4
150.10077	3.7
150.24109	3.3
153.05458	8.8
153.84636	3.8
154.06236	100.0
154.07526	4.8
161.09586	5.0
161.13254	5.7
167.07057	6.1
168.07785	17.9
169.08604	57.3
169.10034	7.7
171.11678	4.8
175.03859	5.2
179.08559	4.4
183.07979	6.7
183.11652	5.7
190.40375	3.6
195.75087	3.5
197.08058	38.5
197.09618	8.0
207.13808	10.0
211.83878	3.8
225.07504	6.5
225.09262	26.8
225.12668	9.0
225.14713	55.4
238.72931	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	225.1482
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
53.03934	0.8
55.05285	0.7
55.05508	9.1
57.03421	0.7
57.07052	0.7
59.04983	1.0
67.05496	5.1
69.03407	2.4
69.07049	0.9
69.86721	2.2
69.87126	0.9
71.04973	1.9
72.83207	0.5
77.03909	0.5
79.05474	2.3
80.23711	0.5
81.07034	4.2
83.04955	2.5
83.08606	0.8
85.02891	1.0
85.06547	0.8
91.05466	3.2
93.07024	1.6
95.04945	2.1
95.08591	8.7
97.06521	1.4
97.10176	0.6
99.04445	5.4
105.03428	0.8
105.06998	2.3
107.04942	1.9
107.08591	4.1
109.06490	3.9
109.10157	5.4
111.08076	0.7
113.05947	0.5
118.96765	0.6
119.04904	1.1
119.08562	4.9
121.06496	0.8
121.10139	2.6
121.42428	0.6
122.07251	2.1
123.04409	1.1
123.08059	6.7
123.11668	1.3
125.05984	1.0
125.09634	1.5
131.08548	0.7
133.10115	1.1
135.08049	4.2
135.11668	0.6
137.05959	1.8
137.08600	1.1
137.09601	13.8
137.13197	0.8
138.06729	2.4
139.03876	1.1
139.07536	0.8
141.09016	0.6
147.04391	1.0
147.08018	0.9
147.11667	1.3
149.09593	2.8
151.07549	8.3
151.11189	1.0
152.08276	2.3
153.05510	0.7
153.09077	12.2
154.06296	2.8
161.09552	0.7
161.13275	1.5
163.03912	0.8
164.04601	0.6
164.14021	0.6
164.81735	0.5
165.09100	100.0
165.12794	1.6
166.09467	1.8
167.07022	1.0
167.10640	1.0
169.08592	2.0
169.09972	0.7
175.03899	1.3
177.05426	1.1
179.14308	1.1
180.04178	2.3
183.06497	0.8
183.13809	1.6
189.12727	2.1
192.11377	0.8
193.04936	1.7
195.06473	0.7
207.06525	1.4
207.13802	13.6
225.07297	1.0
225.09404	2.9
225.11220	1.1
225.14819	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	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03921	1.9
53.53582	0.4
55.01873	2.4
55.05505	4.9
57.03428	0.6
57.07051	1.5
57.29487	0.5
59.04988	0.6
65.03934	1.8
67.05495	9.3
69.03416	1.0
69.07055	4.0
71.04973	1.9
71.61852	0.8
79.05486	7.9
81.03410	6.2
81.07043	12.8
83.04970	3.0
83.08591	2.4
85.02898	3.3
85.06531	0.9
87.04461	0.4
88.85609	0.5
91.05459	6.4
93.07024	6.5
95.04955	100.0
95.08593	8.3
96.05299	1.8
97.06516	2.1
99.08075	0.5
103.05508	0.6
105.07016	3.9
107.04939	2.3
107.08578	4.8
109.06495	3.9
109.10143	1.5
111.04461	1.0
111.08104	0.9
117.06989	3.4
119.08570	4.4
121.06496	3.2
121.10093	3.3
123.04397	0.6
123.08039	4.3
125.05954	0.7
128.58809	0.4
129.07007	0.8
131.08559	1.8
133.10104	0.7
135.08061	2.3
135.11649	3.9
136.61012	0.5
139.07562	0.7
141.06973	0.7
145.06462	1.5
145.07495	0.5
145.10101	5.5
147.08029	3.7
149.02304	4.5
149.09642	1.3
153.05490	0.6
159.08031	0.5
159.11667	2.7
161.09650	1.4
163.11163	15.0
163.12466	0.9
165.09158	0.8
167.03278	0.5
167.08536	0.7
169.10155	1.2
170.48744	0.5
173.13222	0.7
177.05507	0.5
177.12787	2.0
181.10078	0.7
187.11154	2.3
193.10078	1.5
195.08090	0.8
195.11758	0.5
195.30180	0.5
205.12204	2.9
205.15872	1.3
207.02939	0.5
208.08716	0.5
208.12457	0.8
223.05928	3.1
223.11194	1.9
223.13284	9.7
223.14932	1.6
223.16911	2.0
225.04364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
56.96562	1.6
60.16549	0.4
61.59059	0.4
65.45739	0.4
71.10925	0.8
79.05471	0.4
82.99872	0.8
84.96022	1.6
95.04957	0.5
98.97567	1.1
99.04420	0.5
101.00853	8.0
105.03362	0.7
107.08533	0.6
109.06534	0.6
115.81647	0.4
116.98637	1.5
118.03529	0.5
119.01902	54.7
120.02014	2.0
122.97798	0.6
125.05951	0.5
134.99838	3.8
137.02936	24.1
138.03030	0.8
138.06721	1.2
139.07553	0.5
140.98827	0.8
142.03490	4.7
153.00940	2.5
153.05353	0.5
154.06192	1.5
158.06624	0.6
158.99829	3.4
160.04576	2.2
161.02895	1.2
165.99518	0.7
167.10684	0.4
169.08554	1.1
173.01314	0.6
173.02675	1.0
175.02933	1.0
177.00925	100.0
178.01022	7.6
179.00761	2.0
179.03917	2.1
182.03145	1.2
182.99826	1.6
183.06142	1.4
183.07903	0.5
184.04579	1.5
184.53345	0.4
193.04048	1.5
195.01997	2.8
196.02904	0.8
198.53232	0.8
200.02560	2.7
201.00778	5.5
201.02490	2.1
202.02620	1.2
202.05559	1.3
206.04343	1.6
207.53600	0.5
214.17046	0.5
217.04033	9.3
219.01961	79.1
220.02063	12.9
220.04137	0.8
221.01796	1.8
225.00948	3.6
225.02760	0.6
225.04277	0.6
225.09045	2.4
240.05562	0.5
242.03563	3.5
243.01886	12.4
244.02177	0.6
248.32361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13641	0.5
55.01869	0.6
56.96547	1.3
70.09283	1.9
70.09695	1.0
72.52478	0.5
82.99847	0.8
84.96025	1.7
88.36242	0.6
91.46091	0.6
95.04933	0.6
95.08555	0.7
98.97568	1.0
99.04465	0.6
101.00863	9.1
102.00932	0.8
112.63667	0.5
116.98632	1.1
118.03497	0.8
119.01904	60.0
120.02003	2.3
121.91336	0.6
122.97834	0.6
134.99811	3.3
137.02934	22.1
138.02966	0.7
140.98843	2.0
142.03487	5.7
153.00864	2.6
154.06226	1.2
158.99867	4.2
160.04503	1.9
161.02885	1.7
162.77171	0.5
165.99515	0.6
169.08492	0.7
175.03015	1.5
177.00929	100.0
178.01021	10.5
179.00592	2.6
179.04015	2.2
182.03125	0.9
182.99815	1.8
183.06071	0.8
184.04497	0.8
193.04060	1.8
195.01979	2.2
197.08221	0.6
200.02548	2.3
201.00835	6.0
201.02452	2.2
202.02481	1.2
202.05560	1.2
202.07310	0.6
206.04384	0.9
207.01233	0.6
217.04076	9.9
218.03864	0.8
219.01968	87.5
220.02083	15.7
221.01756	3.5
225.00690	3.5
225.04250	1.0
225.09161	0.9
234.00835	0.6
240.05821	0.7
242.03523	3.0
242.95895	0.6
243.01929	13.5
243.04179	1.0
244.02106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
53.18317	0.6
55.01860	1.4
55.05508	3.4
57.03409	1.6
57.07055	0.8
59.04972	0.6
65.03920	2.3
66.04710	0.8
67.05491	5.1
68.04989	0.5
68.39505	0.5
69.03427	2.9
69.07059	3.2
71.04978	4.2
78.04693	1.0
79.05482	5.1
81.03413	1.0
81.07045	7.9
83.04961	4.6
83.08600	1.0
85.02892	2.7
85.06511	1.3
91.05463	4.9
93.07034	5.6
94.04161	0.6
95.04961	7.0
95.08580	5.4
96.05733	1.3
97.02859	1.0
97.06523	3.6
99.04454	3.4
99.08049	1.0
100.11234	0.6
105.03386	1.3
105.07021	6.6
105.81866	0.5
107.04945	1.9
107.08589	7.8
108.05717	1.6
109.02842	0.9
109.06503	8.6
109.10126	5.4
109.50906	0.5
110.07417	0.6
111.04426	9.6
111.08057	3.4
113.05963	0.6
117.07013	1.1
119.04904	1.7
119.08573	6.8
121.02777	0.5
121.06488	2.2
121.10120	6.6
122.03632	1.2
123.04420	14.3
123.08059	6.1
123.11677	3.9
124.05167	3.4
124.07251	0.5
125.05981	7.0
125.09587	1.3
126.06721	1.7
129.06987	1.1
131.08542	0.7
133.06503	1.0
133.10139	3.6
135.04453	1.0
135.08040	4.4
135.11688	2.9
137.05945	2.7
137.09555	3.6
138.06737	54.9
138.67935	0.5
139.03880	30.6
139.07527	7.7
141.06999	1.6
143.08511	1.4
145.10135	1.9
147.04353	1.7
147.08046	2.0
147.11633	2.6
149.09554	3.1
151.03893	1.4
151.07545	2.0
151.11189	4.9
153.05434	11.0
154.06229	100.0
155.06755	1.1
155.08473	0.8
159.11688	1.4
161.09650	1.6
161.13255	3.0
163.03918	0.7
163.11156	2.5
165.05530	1.2
165.06969	1.2
165.09038	3.8
165.12738	1.2
167.03403	5.2
167.07014	7.2
167.08369	1.0
167.10660	1.1
168.05679	1.2
168.07796	12.4
168.09172	1.1
169.08583	68.2
171.11702	0.9
175.03900	1.9
177.12726	1.5
178.07826	1.9
179.03322	0.8
179.07040	0.7
179.08537	6.6
179.10397	1.1
179.14316	1.0
180.04094	1.0
181.04909	1.4
181.06400	1.1
181.12230	1.1
182.05736	5.1
182.07298	1.5
183.13684	0.6
189.12718	3.3
192.04225	0.7
193.04994	1.0
195.02884	0.8
195.06493	1.3
195.13834	1.6
197.06146	2.1
197.08052	43.7
197.09383	2.7
198.08322	0.7
207.04810	0.7
207.06287	2.8
207.08107	2.2
207.09877	0.7
207.13815	6.4
210.06749	5.0
224.08209	0.8
225.07486	9.5
225.09120	13.9
225.12744	1.0
225.14728	6.2
225.19614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03920	1.0
55.01868	1.5
55.05503	6.7
56.12047	0.3
56.26460	0.2
57.03409	0.3
57.07053	0.7
59.04981	0.4
65.03925	0.4
66.04707	0.4
67.05494	6.1
68.21373	0.3
69.03389	0.3
69.07058	5.9
69.31693	0.3
71.04961	0.6
71.37263	0.4
79.05482	3.6
81.03405	10.2
81.07046	4.7
81.80196	0.2
83.04968	1.3
83.08610	2.9
85.06516	0.7
87.08068	0.5
91.05473	3.0
93.03364	0.3
93.07039	3.3
94.04171	3.5
95.04956	17.0
95.08588	2.4
97.02894	0.5
97.06509	0.7
105.03375	0.3
105.07014	1.6
107.04939	5.3
107.08560	2.1
109.06494	1.8
109.10127	0.6
111.08044	0.5
117.06948	1.4
119.08552	0.8
121.06487	0.9
121.10093	0.9
123.08041	1.2
123.11695	0.3
125.06033	0.3
125.09607	0.3
131.08546	1.5
133.10089	0.5
135.08023	0.7
135.11633	0.6
137.09592	0.3
145.06432	1.2
145.10088	1.0
147.08003	0.3
149.02315	1.7
149.09560	0.4
149.13264	0.3
159.11653	0.7
161.09494	0.3
163.03867	0.3
163.11195	1.3
165.06937	0.3
167.06927	0.3
177.12602	0.3
178.97835	0.3
179.08571	0.3
181.10222	0.3
185.74896	0.3
190.02711	0.3
193.10110	0.5
205.04768	0.3
205.12151	1.6
205.15936	0.4
208.12440	0.7
223.06012	1.3
223.13255	100.0
224.13545	2.6
225.04251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03923	0.7
53.65558	0.2
55.01867	1.4
55.05502	6.1
56.41368	0.3
57.03428	0.4
57.07066	0.4
57.53514	0.2
65.03921	0.6
66.04700	0.6
67.05501	5.5
69.03418	0.4
69.06696	0.3
69.07059	5.6
69.67017	1.5
69.67403	0.4
71.04959	0.5
73.14416	0.2
79.05482	4.0
81.03404	10.3
81.03881	0.5
81.07043	4.1
83.04965	0.7
83.08603	2.9
85.06510	0.4
87.08071	0.3
91.05466	2.0
93.03365	0.2
93.07029	2.3
94.04171	4.6
95.04955	12.5
95.08575	1.8
97.02857	0.7
97.06496	0.3
98.20724	0.4
105.07014	1.3
107.04935	5.9
107.08558	1.3
109.06506	1.2
109.10147	0.3
111.08086	0.3
117.06998	1.5
119.08576	0.8
121.06480	0.7
121.10107	0.6
123.08040	0.8
129.06987	0.2
131.08559	1.1
133.10046	0.4
135.08006	0.5
135.11684	0.4
144.09354	0.2
145.06580	0.3
145.10098	0.9
147.08044	0.2
149.02324	1.0
159.08099	0.3
159.11612	0.5
163.11136	0.3
167.08328	0.2
205.12236	1.3
223.13254	100.0
224.13560	2.5
225.04221	0.6
229.68594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0597
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
53.03938	12.5
55.01862	10.1
55.05495	10.9
56.96540	17.2
57.03417	19.0
57.07061	24.5
63.40441	7.5
65.40110	8.4
67.05486	28.0
69.03416	27.8
71.28920	17.5
79.05487	37.0
81.03426	14.5
81.07037	31.9
83.04963	25.1
84.08143	26.5
85.02879	13.5
88.62453	9.0
91.05466	40.1
93.03414	10.6
93.07028	44.8
95.04956	32.0
95.08607	25.1
97.02879	25.0
97.06520	17.2
98.97576	38.0
103.05446	19.2
105.07020	55.1
107.04932	45.6
107.08568	29.4
108.05289	10.3
109.06503	23.4
109.10159	10.4
111.08066	10.4
115.05450	18.8
116.98616	25.7
117.07021	25.5
118.95557	9.1
119.04988	14.0
119.08561	32.2
120.08039	13.0
121.02871	28.1
121.06493	27.1
121.10137	31.5
123.08070	15.2
125.09648	12.1
130.06496	9.8
131.04889	25.4
131.08540	20.8
133.06459	47.5
133.10115	17.6
134.99658	12.3
135.04395	13.3
135.08049	30.4
135.11664	17.6
137.06032	14.8
145.06487	25.6
145.10101	15.7
147.04327	11.1
147.08054	11.5
149.02303	81.5
149.06010	18.0
149.09613	18.8
151.03990	11.2
151.11166	14.7
153.09138	10.8
158.99580	13.8
159.11670	22.3
161.05965	59.2
161.09576	13.2
162.01328	11.1
163.03883	27.7
163.07523	26.1
163.11139	20.8
165.09126	15.4
177.00676	21.9
177.05473	27.5
177.09099	11.0
177.12662	9.9
177.13989	13.8
187.11212	10.9
191.06967	12.6
193.08110	9.0
205.04845	14.4
205.13567	12.6
223.02318	14.6
223.04108	19.6
223.05879	70.7
223.07683	7.8
223.09467	18.1
223.11288	18.6
223.13036	54.0
223.16702	18.1
223.18141	14.3
223.97415	9.5
225.04245	100.0
227.02187	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	223.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81318	1.8
53.03924	3.5
55.01865	4.4
55.05507	3.3
56.05027	2.6
56.96561	100.0
57.03433	14.3
57.07076	2.6
58.06612	2.0
58.06902	1.5
58.99884	2.4
60.04522	2.1
60.24259	1.7
60.95848	4.8
61.02920	5.2
64.95554	2.4
65.03931	2.6
67.05492	5.4
67.30786	1.8
69.03424	15.6
69.07078	4.7
70.06586	6.3
70.98116	12.8
71.01340	4.5
71.04998	9.6
71.16270	1.7
71.60265	3.7
71.95263	3.6
72.08160	3.3
73.02904	11.2
73.52467	1.6
74.97609	3.5
75.04476	2.6
77.00906	3.3
79.05484	5.5
81.03408	14.3
81.04527	1.8
81.07050	3.9
83.04971	7.0
83.08572	1.9
84.04475	2.5
84.08134	10.0
84.95579	2.2
84.96015	13.2
85.02901	16.7
86.03677	10.5
86.09687	4.9
87.04452	4.5
88.99152	9.9
90.01553	3.2
91.05463	9.8
93.07024	5.7
95.04987	5.0
95.06076	2.4
95.08608	3.1
96.04466	1.9
97.02875	11.1
97.06544	2.3
97.96810	6.4
98.97583	25.3
99.04444	5.7
100.02478	6.6
100.05234	6.0
101.00739	2.6
101.02393	3.0
102.96931	1.8
103.05446	4.5
104.05796	3.4
105.07023	5.2
106.96553	2.8
107.00153	3.1
107.04950	8.5
107.08569	1.9
109.02871	10.6
109.06515	2.4
109.07671	2.0
109.10158	2.9
110.01275	4.5
110.06055	2.3
110.07225	1.8
110.97553	3.0
111.00255	3.3
112.05060	1.7
115.97827	4.7
116.98602	28.4
116.99396	2.0
117.01978	3.7
117.89293	2.1
118.03518	5.8
119.01903	10.6
119.02618	2.0
119.04929	4.6
119.08600	3.0
119.97340	2.9
120.03233	3.5
120.97970	4.0
121.02814	2.8
121.06512	5.8
121.10090	1.8
122.25814	1.9
123.04389	3.6
127.01511	2.6
127.03895	5.7
128.98651	8.9
129.02023	2.4
129.10301	2.6
130.39346	1.7
131.00146	3.3
131.01929	6.5
131.04959	4.7
132.05240	9.3
133.01581	2.6
133.03479	3.1
133.06496	4.7
133.98872	2.1
134.01262	2.2
134.05994	2.9
134.99677	21.6
135.03084	2.6
135.04411	5.2
135.08034	2.9
136.06160	2.2
137.05960	8.5
137.98340	5.3
143.00188	4.1
143.01913	2.2
144.98094	3.2
144.99814	6.6
145.01599	3.7
145.03474	3.1
146.99594	11.0
147.03261	3.6
147.04431	7.2
149.01192	4.8
149.02397	8.9
149.09607	2.6
152.02245	2.3
152.07079	2.6
153.00699	4.4
154.03735	2.0
154.20357	2.0
155.00198	3.1
157.01770	2.5
157.97813	2.8
158.99658	7.4
159.01442	3.0
159.03134	2.1
159.11713	2.1
161.01225	7.3
161.02905	4.7
161.05965	5.3
162.99144	6.3
163.00754	3.0
163.02539	3.4
163.04022	4.0
163.11214	2.2
164.07996	3.5
165.00645	4.3
165.05437	2.4
167.06993	3.9
168.01457	8.5
170.99756	1.9
171.01352	2.3
172.04803	5.2
172.97591	1.9
173.01265	6.1
173.04765	3.1
175.02808	3.6
175.04413	2.1
177.00726	22.7
177.02444	12.6
177.05449	4.9
177.10260	5.9
177.12733	3.1
177.97905	2.7
178.04987	2.5
179.00168	3.4
179.06996	3.4
180.03589	4.5
181.00029	3.3
181.97942	2.1
185.01262	2.8
185.02893	3.0
187.11145	2.3
189.00658	2.4
189.02411	1.9
189.04218	5.5
190.98564	16.0
191.02248	4.8
191.03967	2.3
195.01776	4.0
195.03506	5.1
196.04898	4.1
197.01196	9.7
198.04669	5.0
199.99040	3.5
200.02267	4.6
200.04056	21.1
201.00716	16.4
201.02434	5.5
203.03973	3.0
205.00067	2.4
205.05281	2.6
205.09753	3.4
207.05217	6.1
207.55453	2.6
208.99609	3.9
214.06038	6.3
215.02277	4.7
216.05721	2.7
217.00214	2.7
218.00310	2.3
218.03310	3.8
218.98103	6.7
219.01714	10.5
223.00841	3.0
223.04272	3.5
223.06050	17.2
223.11330	13.7
223.16922	4.6
224.02228	2.1
224.04230	2.8
224.11183	2.0
225.04266	32.3
226.01501	5.4
227.02063	8.3
232.07028	8.2
233.03360	2.5
236.99165	4.8
237.02763	3.7
241.03990	3.6
244.02513	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	2.1
54.66364	1.2
55.05505	8.3
57.07062	2.7
64.22041	1.1
65.03941	1.3
67.05498	9.6
69.07067	7.1
70.79926	3.2
71.04984	22.5
72.55396	1.3
79.05030	1.4
79.05486	20.3
81.07047	62.3
83.08595	4.6
85.06548	1.6
91.05470	10.8
93.06436	2.1
93.07033	39.8
95.08596	23.2
97.06525	2.9
97.10142	1.6
99.08076	2.5
103.05466	1.9
105.07016	25.2
106.04134	1.3
107.08578	54.6
109.06489	2.4
109.10141	18.5
111.08073	2.2
111.11700	1.9
113.09632	1.6
117.07042	1.7
119.04862	1.4
119.07746	2.2
119.08569	39.2
121.10133	8.2
123.08012	1.9
123.11689	14.5
125.09560	1.2
127.11150	5.2
133.10114	21.9
135.11676	100.0
136.12036	1.7
137.05995	1.0
137.09564	3.2
137.13219	2.7
145.10097	2.1
147.04382	7.2
147.11682	21.3
149.13206	6.7
151.11183	3.3
161.13264	10.0
163.14874	2.9
164.04604	1.0
165.12729	1.6
175.03864	1.5
175.14755	2.8
177.16360	2.4
203.14316	1.5
203.17912	29.9
209.38896	1.0
221.07977	1.9
221.15443	2.8
221.18971	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1121
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.19113	0.7
55.05502	0.8
56.05032	1.8
56.96556	2.0
57.07077	0.9
60.04519	4.2
60.07573	0.7
67.05506	1.6
68.05032	1.0
69.03432	1.1
69.07053	0.9
70.06580	2.3
71.47654	0.7
71.53384	1.4
72.04490	1.0
79.05502	1.3
81.03421	0.7
83.04953	0.7
83.06088	0.7
84.04507	1.2
85.02914	1.0
85.06514	1.1
90.05542	6.7
91.05429	1.6
92.05956	2.9
95.04961	1.6
97.02876	0.7
98.02380	0.8
98.06042	0.9
103.05453	52.3
105.07013	1.2
107.04959	1.2
107.08605	0.9
109.07611	1.2
110.06062	1.3
115.05435	1.0
116.03436	0.8
116.07038	1.1
116.98637	0.8
120.08131	5.8
120.14558	0.7
121.06449	1.4
124.07605	1.4
127.07085	1.2
130.06526	1.3
131.04909	97.6
132.05272	1.7
133.06500	1.3
134.10435	1.0
135.08113	1.1
137.05943	11.8
145.06451	1.3
147.04398	1.1
148.07533	4.3
148.08577	0.8
149.02362	0.9
149.06067	0.7
153.00793	0.7
158.05942	1.0
160.12193	0.9
161.05933	2.3
161.08333	4.6
163.07521	60.0
164.07980	1.1
166.98636	0.8
175.07434	1.0
176.07010	11.2
180.10156	5.8
184.09619	0.8
186.10107	1.1
189.07820	5.6
190.06918	1.2
190.08582	9.1
191.09090	0.7
194.07999	0.7
198.96852	1.0
204.10048	2.0
204.11563	1.2
207.08875	10.3
216.97925	1.7
217.00073	0.8
222.07611	2.9
222.11209	100.0
223.05952	1.0
223.11452	1.6
225.04178	4.6
227.02211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02375	0.9
53.03934	6.8
53.90200	0.7
55.01852	2.1
55.05511	11.5
55.19523	0.8
57.07049	1.3
59.04966	0.7
65.03918	2.3
67.05498	14.9
69.03400	1.4
69.07058	12.7
69.72679	0.7
69.98348	1.6
69.98719	4.6
71.04994	4.3
77.03914	1.1
77.35058	0.8
79.05484	64.5
80.05812	1.4
81.03410	1.1
81.07047	36.1
83.04951	3.0
83.08596	4.9
85.02882	1.0
85.06529	4.3
87.04409	1.0
88.51483	0.7
91.05469	45.5
92.05766	1.3
93.07032	100.0
94.07357	1.2
95.04949	10.8
95.08589	18.5
97.06506	2.2
99.04458	0.9
103.05424	1.5
105.04481	3.0
105.07016	39.5
106.07296	0.8
107.04945	1.1
107.08578	70.4
109.06509	7.7
109.10114	2.2
109.75159	0.8
111.04472	0.9
111.08051	1.1
117.06995	4.3
119.06037	0.8
119.08559	35.2
120.08846	0.9
121.06501	4.6
121.09288	1.4
121.10131	18.6
123.08065	5.6
127.07523	0.9
128.06198	1.7
129.07021	3.8
131.04936	1.2
131.08513	7.2
133.06516	0.9
133.10103	9.8
135.07976	2.5
135.11661	1.7
137.09579	1.5
139.07523	1.0
142.07672	1.1
143.08542	8.1
145.10048	1.9
147.07976	3.5
147.11676	5.0
149.02301	2.3
149.09569	0.9
153.09024	1.5
157.10085	4.0
159.11671	8.3
161.09566	3.6
161.13242	32.7
162.13577	1.1
163.11249	0.9
165.09088	2.0
175.07568	1.0
175.11147	6.4
175.14801	8.3
177.05408	1.7
179.10559	1.1
185.13263	16.0
203.03398	1.0
203.14282	10.3
206.10895	1.9
206.16216	2.2
221.04327	1.6
221.07961	2.2
221.11595	1.7
221.13361	1.9
221.15306	28.5
221.17531	1.6
221.18590	1.3
222.15541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03932	5.8
55.01849	6.4
55.05503	17.1
57.03426	2.2
57.07063	2.9
62.24883	1.6
65.03928	4.0
67.05146	2.4
67.05495	37.1
69.03425	2.0
69.07056	15.3
71.04990	15.1
71.63744	2.4
79.05480	53.9
81.03383	2.5
81.07044	53.4
83.04951	6.3
83.08592	7.8
85.02885	8.4
85.06506	5.2
91.05462	47.0
93.06435	2.8
93.07029	70.0
95.04954	87.3
95.08589	30.3
97.06515	20.7
97.10132	2.6
99.04426	2.1
103.05445	2.8
105.06335	3.2
105.07016	44.9
107.04948	21.9
107.08576	45.6
108.05716	3.7
109.06507	14.5
109.10155	11.5
111.04420	16.3
111.08047	5.3
115.05386	2.4
117.06989	12.5
119.08556	37.3
121.06503	13.7
121.10114	13.1
123.04403	4.0
123.08034	7.0
123.11690	2.3
125.04117	1.9
128.06236	3.4
129.06998	9.5
131.04910	2.1
131.08594	8.1
133.06467	12.1
133.10114	19.7
135.08022	5.5
135.11688	8.9
137.05951	2.0
137.09576	5.3
137.13147	1.7
143.08548	14.4
145.06439	1.9
145.10130	9.6
147.04353	5.1
147.08018	5.6
147.11649	6.9
149.05911	1.8
149.13280	2.4
151.07559	1.7
151.11223	1.8
151.61156	1.9
157.10109	6.2
159.11655	9.6
161.09546	6.6
161.13226	28.6
163.11192	13.2
165.09073	4.6
175.03880	3.4
175.11194	6.8
175.14774	6.6
177.05450	5.8
179.10669	2.1
179.14279	17.6
185.13258	15.2
203.03329	2.7
203.14299	16.3
203.17754	1.6
206.10825	4.1
206.16211	3.8
221.04359	9.5
221.07898	4.3
221.11664	5.4
221.13478	4.2
221.15329	100.0
221.18707	5.2
222.15642	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.39193	0.7
53.03937	4.8
55.01852	1.9
55.05281	1.0
55.05504	10.9
56.75681	0.8
56.96541	2.7
57.07070	1.7
65.03918	1.8
67.05150	1.2
67.05494	20.1
69.03404	1.1
69.07051	10.9
69.41926	0.8
70.76856	2.6
71.04962	3.8
79.05481	68.0
81.07043	40.3
83.04958	3.0
83.08595	5.4
85.06531	4.8
87.04446	1.7
91.05463	45.0
93.07030	100.0
95.04954	9.5
95.08109	1.0
95.08592	21.0
97.06512	2.1
101.05965	1.5
105.04469	2.3
105.07008	33.8
107.08578	75.7
109.06520	6.7
109.10128	3.7
111.08070	2.4
114.56345	0.9
117.07005	6.1
119.04945	1.0
119.08564	45.5
120.08812	1.0
121.06472	6.0
121.09265	1.7
121.10126	28.4
123.08070	4.0
128.06200	1.9
129.06952	3.7
131.08542	8.4
133.10115	12.6
135.08002	2.8
135.11655	2.6
137.05814	0.8
137.09541	2.1
141.06966	1.1
142.07716	1.4
143.08525	9.6
145.10104	2.4
147.07988	4.4
147.11673	5.8
149.02264	0.8
149.09583	1.7
153.09145	1.0
157.10112	4.2
159.11679	11.9
161.05960	1.4
161.09627	4.0
161.13235	43.8
162.82507	1.0
163.11156	1.1
165.09064	3.9
172.39319	0.8
175.02742	2.3
175.11186	5.7
175.14818	10.8
179.10643	2.2
184.44046	0.9
185.13246	21.8
193.03711	1.5
199.06483	1.4
203.14284	14.5
203.17891	1.0
206.10831	2.1
206.16200	2.2
217.07417	1.9
221.04398	3.5
221.07942	1.5
221.13292	3.2
221.15318	45.2
221.17630	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	220.1692
Annotation	Fabianine
Peak:m/z	Relative Intensity
52.49558	0.2
68.39851	0.2
71.08415	0.4
82.88716	0.2
113.03326	0.2
118.06525	8.1
132.08069	2.4
133.08835	0.9
134.09641	0.9
144.08075	0.3
146.09625	2.4
160.11154	0.5
162.09119	5.4
166.16438	0.2
169.42635	0.2
176.10764	3.5
176.14320	26.5
177.11453	1.3
177.14648	0.4
190.12236	2.5
202.15886	0.7
204.13831	0.2
205.15874	0.2
220.16931	100.0
221.17276	2.9
226.07445	0.2
242.34169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0442
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02359	1.3
53.03938	3.0
55.01858	3.4
55.05494	1.2
57.07056	3.8
58.07384	1.5
59.04980	2.0
60.05320	1.1
67.05488	4.2
68.05820	1.6
68.99769	2.8
69.07065	1.7
69.91119	6.7
70.02885	1.6
70.06588	1.6
70.07388	1.3
72.04501	5.4
73.02916	1.2
73.04819	2.5
77.03923	2.2
79.05486	21.0
81.07046	3.1
83.08569	1.3
85.06507	3.3
86.06863	2.5
90.05545	32.6
91.05434	11.7
91.05888	13.5
93.07047	2.7
95.04939	6.7
95.08602	2.7
96.05295	2.7
98.02399	4.1
99.02764	2.9
102.04654	1.3
103.05457	60.4
103.07607	1.6
104.07901	2.1
105.03382	2.4
105.04463	1.1
105.07005	2.0
107.04934	17.3
107.08565	2.1
109.10165	1.5
110.03646	4.3
111.08049	2.0
112.87740	0.9
116.03437	2.7
117.03812	2.0
119.04927	15.1
119.08543	2.1
121.02878	2.1
121.06487	8.9
123.04413	25.7
124.07575	2.7
124.84581	1.1
125.07917	6.8
129.03352	3.4
131.04915	75.4
132.05283	1.5
133.02823	1.5
133.06401	1.0
133.10063	1.9
135.04382	3.3
137.02333	2.7
137.05952	1.8
141.03329	2.8
142.08582	1.2
143.08923	2.3
147.04390	80.2
147.08078	2.1
148.04907	3.0
149.02449	1.0
149.04854	2.0
149.05971	22.8
150.03081	2.4
151.03885	1.3
157.02921	1.4
157.28227	1.2
159.04417	11.4
160.05183	2.0
161.05956	20.5
161.09698	1.4
162.03029	1.2
165.01884	1.8
165.05453	14.0
167.23943	1.2
171.04315	1.5
172.05161	2.2
175.03893	100.0
175.07507	3.4
176.04488	4.1
177.05452	53.3
185.09998	7.7
187.04956	5.3
192.04132	1.5
193.04947	16.2
203.03363	64.0
203.06937	8.6
203.11043	12.4
204.03693	1.1
206.16182	1.9
221.04411	26.2
221.12061	11.6
221.18379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.044
Annotation	Buntansin
Peak:m/z	Relative Intensity
50.51661	0.8
51.02363	1.6
53.03942	1.3
55.01862	5.8
55.05502	2.5
55.90695	0.8
56.70014	0.9
56.96547	1.0
57.07069	5.6
57.53320	1.0
58.07393	2.4
59.04994	4.1
60.05321	1.4
62.82940	0.8
65.03939	1.3
67.05492	5.2
68.05817	3.6
68.99764	2.2
69.07069	4.4
69.90924	1.6
69.91339	3.3
70.02954	7.1
70.06580	2.6
70.07383	3.3
71.03263	2.6
72.04118	1.0
72.04504	12.5
73.02889	2.4
73.04833	4.9
74.02435	1.7
74.03212	1.3
77.03909	2.1
79.05483	23.9
81.03423	1.2
81.07047	2.7
83.04942	1.6
83.08580	1.4
85.06530	6.0
86.06873	6.9
87.08082	1.3
87.09959	1.0
88.08426	1.1
90.05543	71.5
91.05423	14.7
91.05883	26.7
93.07030	3.4
95.04954	9.9
95.08573	1.2
96.05289	4.2
96.08120	1.0
97.08453	1.6
98.02389	8.7
98.20759	1.2
99.02740	6.5
100.03945	1.7
103.05454	56.7
103.07559	4.2
103.87119	1.0
104.07903	4.3
105.03365	2.0
105.04507	1.2
105.07010	3.8
105.90543	0.8
107.04940	18.7
107.08549	1.7
109.06507	1.3
109.10139	3.0
110.03650	6.0
111.08083	4.0
113.06026	1.5
114.06319	2.1
115.05436	2.3
116.03439	8.8
116.07087	1.4
117.03811	7.7
117.07028	1.5
118.04140	2.6
119.04939	17.0
119.08559	2.8
121.02820	3.6
121.06491	9.3
121.10121	1.1
123.04420	24.6
124.07574	3.5
125.07916	13.4
125.85065	1.0
127.07007	1.0
129.03336	2.6
130.04115	1.1
130.06497	0.8
131.04909	68.5
132.05623	1.6
133.02887	2.0
133.06453	1.4
133.10120	2.9
134.03702	1.1
134.06000	1.2
135.04366	4.1
135.08037	1.1
137.02328	3.2
137.05920	1.7
137.09596	1.4
139.03882	0.9
141.03345	1.7
142.08635	1.7
143.04930	0.9
143.08997	5.3
144.05655	1.0
145.06470	2.0
146.03586	2.3
147.04391	82.4
147.08018	2.8
148.05144	1.4
149.05952	23.6
150.03076	2.2
151.03987	1.2
151.07561	1.0
151.11151	1.3
152.45494	0.8
153.09097	1.1
157.02777	1.2
158.48698	0.9
159.04410	10.1
160.05104	5.4
161.05962	51.5
161.09714	1.6
163.03825	1.6
165.01802	3.3
165.05457	16.1
165.09084	1.4
167.08961	2.9
172.05121	5.4
174.06639	0.9
175.03888	100.0
175.07445	11.9
175.11415	1.7
175.14806	2.4
176.04422	3.4
177.05447	48.3
178.02563	1.0
179.03465	1.1
185.05925	0.9
185.09998	19.0
187.05006	4.5
188.04736	1.7
191.03322	4.5
192.04164	3.4
193.04951	16.0
193.15884	1.9
203.03371	60.6
203.06996	18.9
203.11044	30.4
204.03764	1.1
204.07567	1.5
206.02069	1.3
206.16206	2.4
221.04427	55.7
221.08012	2.8
221.12100	26.3
221.15363	2.2
221.18129	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	221.0441
Annotation	6-Methoxy-7,8-methylenedioxycoumarin
Peak:m/z	Relative Intensity
52.23509	0.2
55.05495	0.3
62.78331	0.2
67.05481	0.5
68.99770	0.3
69.03425	0.3
71.59050	0.2
71.59467	0.3
73.38744	0.2
79.05475	1.0
81.07030	1.1
83.04926	0.3
89.03908	0.3
91.05462	1.7
93.07014	1.0
94.04149	0.2
95.04941	0.8
95.08585	0.7
97.02853	1.2
101.03872	0.3
103.05431	1.7
105.03350	1.0
105.07013	1.1
107.04918	1.2
107.08572	1.1
109.06505	0.4
109.10133	0.6
111.08067	0.5
119.04885	1.1
119.08549	1.1
121.02876	0.5
121.06482	0.5
121.10122	0.4
123.04388	0.3
129.07013	0.3
131.04913	2.3
133.02815	0.5
133.06458	0.6
133.10130	0.9
134.03612	0.4
135.04375	1.0
135.08003	0.3
137.05936	0.8
137.09596	0.5
139.03854	1.0
143.08510	0.3
147.04367	2.7
147.11642	0.4
149.02286	0.4
149.05936	0.9
150.03101	20.9
151.03554	0.2
157.10071	0.3
159.04417	0.5
161.02292	1.0
161.05922	0.7
161.09634	0.4
161.13185	0.7
162.03099	0.3
163.03897	5.4
165.01811	19.9
165.09059	0.3
166.02061	0.3
175.03873	1.7
175.07487	0.4
175.14816	0.5
176.04707	0.3
177.01877	0.5
177.05450	5.1
178.02573	3.0
179.06966	0.2
189.01782	1.3
191.03358	11.5
193.04962	1.5
193.08571	0.4
203.03354	2.0
203.07057	0.4
203.10635	0.3
203.14336	0.4
203.17879	0.3
206.16290	0.3
208.23006	0.2
221.04411	100.0
221.15286	1.1
222.04774	2.3
223.02361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80466	0.4
55.01859	0.9
55.05506	0.5
56.01366	0.7
57.07071	7.1
59.05004	4.2
59.83205	0.5
67.05492	5.2
69.07063	4.6
70.02946	6.8
70.74271	1.6
72.04504	17.3
73.02913	3.1
74.02426	1.5
79.31658	0.5
81.07051	0.7
83.04964	1.2
85.06535	10.4
86.09667	2.5
87.08090	2.4
90.05542	100.0
91.05904	1.2
95.04953	6.1
96.08114	2.6
98.02403	14.8
100.03957	3.1
103.07571	7.5
113.05972	3.5
116.03438	15.0
122.21458	0.4
124.07578	16.4
130.08630	1.0
131.07030	1.0
132.10187	0.7
142.08611	8.3
143.49243	0.5
156.10225	1.6
160.09689	2.7
166.08594	2.7
174.11256	2.6
179.62013	0.4
184.09666	20.7
191.59811	0.5
202.10716	29.5
203.11017	0.6
204.93402	0.6
220.11777	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.01387	0.7
57.07067	6.9
59.04990	4.5
67.05498	4.8
68.98460	0.7
69.07069	4.5
70.02946	7.6
71.11739	1.2
72.04118	1.0
72.04508	15.0
73.02903	2.9
73.67705	0.5
74.02433	2.4
79.05483	0.9
83.04974	0.8
85.06532	11.2
86.09692	2.1
87.08100	2.2
90.05544	100.0
95.04959	7.1
96.08119	2.2
98.02406	15.7
100.03969	2.3
103.05471	1.5
103.07558	7.6
113.06007	2.8
116.03439	14.5
123.04455	0.7
124.06659	1.1
124.07577	17.9
131.04927	0.9
131.07033	1.1
142.08609	7.1
147.04396	2.0
148.28421	0.6
149.05991	0.7
156.10187	1.4
160.09631	3.0
166.08618	2.8
174.11282	1.6
175.03899	2.6
176.96762	0.6
184.09665	18.7
192.03761	0.7
202.10719	28.4
203.03363	1.3
206.11682	0.7
220.11784	23.3
220.17732	1.3
221.04466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	D-Pantothenic Acid
Peak:m/z	Relative Intensity
55.01870	1.1
55.05492	1.0
57.07069	5.4
59.04993	4.7
63.54450	0.6
67.05491	5.0
69.07064	4.8
70.02943	6.5
70.73003	2.0
72.04507	14.3
73.02911	3.1
74.02415	1.1
83.04957	0.8
85.06525	9.4
86.09700	1.5
87.08104	1.9
90.05541	100.0
91.05876	1.3
95.04955	6.0
96.08142	2.3
98.02402	15.6
100.03973	2.4
103.07573	6.9
110.48392	0.6
113.06002	3.0
116.03441	17.1
116.04242	1.4
124.07571	18.2
131.06990	1.0
142.08609	6.1
156.10138	1.4
160.09700	2.9
166.08641	3.1
174.11258	2.1
184.09663	21.3
185.09973	1.0
202.10709	33.6
220.11775	31.1
221.12074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1739
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.07204	0.4
51.68354	0.4
55.01853	0.6
55.05495	5.6
57.03408	0.9
57.07050	2.0
59.04980	1.5
67.05495	7.7
67.34753	0.4
69.03399	0.6
69.07056	23.0
69.07435	1.2
70.07338	0.4
70.21088	2.2
70.22543	0.4
71.04980	3.1
71.08613	0.6
79.05474	4.8
81.01656	0.5
81.03402	0.5
81.06614	0.8
81.07047	9.5
83.04962	1.7
83.08606	3.4
85.06522	2.6
91.05467	5.8
93.07032	10.1
95.04947	2.7
95.08589	17.3
97.06522	1.5
97.10150	1.3
103.05444	0.8
105.07011	15.8
107.04904	1.1
107.08575	16.8
109.06493	4.0
109.10133	17.7
111.08051	2.7
115.05481	0.7
117.06977	3.0
118.58983	0.4
119.08558	18.7
121.06490	2.6
121.10122	15.2
123.08055	2.6
123.11681	4.7
123.68960	0.5
125.09593	2.0
129.06958	0.9
130.07774	1.3
131.08542	6.1
132.54497	0.5
133.06448	0.5
133.10101	9.3
135.08029	3.8
135.10637	0.6
135.11658	10.8
137.09583	8.2
137.13205	1.6
143.08556	1.2
144.09337	0.8
145.10097	14.8
146.10542	0.5
147.08043	1.0
147.11667	5.1
149.09595	6.4
149.13187	3.4
151.11136	1.5
157.10083	1.0
159.08060	0.5
159.11662	8.4
160.12407	0.7
161.09602	1.2
161.13222	9.8
163.11153	10.9
170.10959	0.6
171.11639	0.5
173.13222	3.1
175.14780	5.8
177.12740	3.4
177.16252	1.2
187.11095	0.5
188.11983	0.8
189.12701	0.9
191.17924	6.3
201.14514	0.6
201.16362	11.8
203.14285	11.0
204.14644	0.7
207.08192	0.6
219.17400	100.0
220.17715	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	220.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04359	0.2
56.96544	0.2
57.03423	0.2
61.02911	0.3
69.03416	0.3
71.61053	0.1
71.61459	0.2
73.02902	0.4
76.87865	0.1
81.03389	0.2
84.08110	0.2
85.02883	0.2
85.08482	0.1
93.05755	0.2
94.06551	100.0
95.06887	1.0
97.02879	0.3
98.26463	0.1
98.97575	0.2
101.00866	0.2
119.01869	0.3
125.04729	0.4
133.03453	0.4
134.04495	0.5
148.04713	0.3
151.04536	0.3
152.05545	0.4
167.04301	0.2
176.05571	0.4
178.03467	3.1
191.27293	0.2
193.02176	0.9
193.04431	0.1
194.06638	1.3
196.04529	8.5
197.04756	0.2
205.15800	0.2
211.03192	1.7
219.06033	0.2
220.04521	18.6
220.17615	0.4
221.04842	0.8
238.05562	8.6
239.05734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19204	0.2
53.03934	0.3
55.01871	0.9
55.05495	0.2
56.96560	3.0
56.96828	0.4
57.03428	3.3
57.07067	1.2
58.99854	0.2
59.04992	1.0
60.04509	0.4
61.02920	4.6
67.05493	1.2
68.05008	0.3
69.03087	0.2
69.03424	2.2
69.07062	1.1
69.76270	0.6
69.76699	0.4
70.02950	1.7
70.98117	0.2
71.01337	0.5
71.04978	0.9
72.04510	2.6
72.08153	0.2
73.02908	3.9
74.02419	0.3
74.06066	0.6
75.04470	0.2
75.65331	0.1
76.87283	0.2
81.03396	1.8
83.04963	0.5
84.04506	0.4
84.08129	0.4
84.96013	0.5
85.02898	3.5
85.06539	2.2
85.08464	0.3
86.03664	1.4
86.09694	0.3
87.04449	1.1
87.08086	0.3
88.99152	0.3
89.00808	0.2
90.05545	18.1
91.03938	0.6
94.06557	100.0
95.04967	1.5
95.06876	1.1
96.01578	0.2
96.08125	0.5
97.02867	2.8
97.96800	0.4
98.02392	2.6
98.97584	2.4
99.04448	0.6
100.03968	0.4
100.05234	0.8
100.07556	0.2
101.00840	1.1
101.02374	0.2
102.02381	0.4
102.05557	0.2
103.02396	0.7
103.07541	1.3
103.87220	0.2
104.01262	0.2
109.02834	1.3
109.53291	0.2
110.01270	0.5
110.03249	0.2
110.97581	0.4
111.02907	0.7
112.07630	0.2
112.99146	0.2
113.00825	0.4
113.01723	0.2
113.02417	0.2
113.05987	0.6
115.02406	0.4
115.03888	0.4
115.42488	0.2
115.97848	0.3
116.03433	3.0
116.98612	1.0
117.02016	0.6
117.02851	0.2
118.01099	0.4
119.01884	2.7
120.02010	0.4
120.03384	0.2
121.01643	0.4
121.03448	0.4
123.02892	0.3
124.07577	3.1
125.04738	0.3
126.02565	0.8
127.03875	0.8
128.02353	0.3
128.98587	0.6
129.02936	0.3
129.03883	0.2
131.00151	0.7
131.01846	1.4
131.02699	0.3
131.06989	0.2
132.02750	0.2
133.01611	0.2
133.03450	2.8
134.03587	0.3
134.04526	0.3
134.99644	0.5
135.03078	1.7
137.02834	0.3
139.04190	0.9
139.54419	0.2
142.01064	0.2
142.03674	0.5
142.08623	1.7
143.00117	0.7
143.01875	0.6
144.03563	0.8
145.03429	0.8
145.54285	0.2
145.99876	0.2
146.02342	0.2
146.05017	0.2
146.08083	0.3
146.99605	0.5
147.03088	0.2
147.04941	0.2
148.04713	1.9
148.54785	0.5
149.01193	0.5
149.02905	0.4
150.01784	0.5
151.04445	1.0
152.05569	0.3
153.04083	0.4
155.01878	0.5
156.10110	0.2
157.03455	1.3
158.11711	0.2
158.99657	0.4
159.55515	0.3
160.04732	0.6
160.09700	0.3
161.01149	0.6
161.02924	0.9
162.03381	0.2
163.04411	0.4
166.08624	0.5
167.01910	0.2
169.02432	0.2
169.05293	0.2
171.05106	0.2
172.04613	0.2
173.01381	0.3
173.02823	1.1
173.05551	0.2
174.04561	0.3
174.06070	0.4
174.11241	0.7
174.99126	0.3
175.02884	0.3
175.04500	1.1
176.05632	0.4
177.00735	0.5
178.03481	2.6
178.04846	0.3
181.05190	0.7
182.03416	0.2
182.05110	0.2
183.05048	0.3
184.02153	0.3
184.09656	3.2
185.02884	0.9
187.04446	0.8
189.00777	0.3
190.05798	0.7
190.98674	0.3
191.02168	0.2
191.03885	0.3
193.02168	1.3
194.06604	1.2
196.04543	7.7
197.02887	0.3
197.04597	0.4
199.06248	0.5
201.00639	0.3
202.10730	5.3
203.03938	0.5
204.14740	0.2
205.00151	0.2
205.15881	0.4
208.06799	0.4
211.03162	2.3
215.03955	0.4
217.05557	0.7
219.01694	0.4
219.06129	0.3
220.04538	16.9
220.06819	0.6
220.11771	4.3
220.15376	0.3
220.17656	0.7
221.04941	1.0
223.01128	0.2
233.03246	0.3
235.06543	0.4
237.02820	0.4
238.05588	8.7
239.06030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Grimaldone
Peak:m/z	Relative Intensity
52.59149	0.3
53.03938	1.4
55.01859	1.0
55.05507	5.1
57.03413	0.8
57.07049	0.6
65.03922	0.7
67.05495	13.9
67.19045	0.3
69.03405	0.9
69.07063	3.8
69.87944	1.9
71.04972	0.3
77.03910	0.4
77.52554	0.2
79.05483	18.4
81.03409	2.6
81.07046	16.6
83.04952	1.1
83.08598	1.8
85.06523	0.4
91.05467	20.3
93.07033	19.3
94.07358	0.4
95.04962	2.7
95.08597	9.2
95.15578	0.3
97.06515	1.5
97.10141	1.0
99.08096	0.3
103.05462	0.4
105.04484	0.6
105.07022	8.6
107.04936	4.9
107.08577	9.4
109.06508	2.4
109.10146	3.6
111.08051	0.8
113.09586	0.4
115.05434	0.5
116.06181	0.4
117.07003	7.4
119.07741	0.6
119.08563	7.7
121.06510	3.1
121.10130	8.0
123.08060	1.8
123.11696	0.5
125.09589	0.3
129.06982	0.6
131.08556	12.2
132.08873	0.4
133.10114	6.1
135.08025	1.3
135.11678	3.6
136.95474	0.3
137.09570	1.0
143.08498	0.4
145.10114	6.4
147.08008	0.7
147.11687	1.3
149.09544	0.4
149.13197	1.0
152.95604	0.3
153.12761	0.5
157.10089	0.5
158.10887	0.3
159.11682	3.2
161.09581	0.8
161.13200	2.1
163.11102	0.3
173.09578	0.3
173.13263	1.4
175.11264	0.3
175.14787	0.9
177.05542	0.3
177.12714	0.6
187.11162	0.9
188.11974	0.3
189.09174	0.3
191.14334	0.3
191.17961	0.5
201.16335	2.4
203.14287	11.9
205.15810	0.5
219.06520	0.8
219.17410	100.0
220.17754	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	219.1012
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.05727	1.1
53.03920	1.8
53.20160	1.0
55.01859	1.5
55.05508	7.1
56.96540	3.1
57.03421	2.7
57.07036	1.6
65.03947	1.2
67.05489	7.7
69.07067	7.7
69.98411	4.9
70.76848	1.1
71.04962	2.5
72.16868	1.2
75.04446	1.3
78.70050	1.2
79.05466	10.4
81.07044	12.5
83.04959	2.7
83.08601	2.0
91.05460	18.3
93.07023	11.7
95.04932	2.9
95.08589	7.8
97.06517	10.5
97.87177	1.2
103.03951	1.6
103.05444	7.7
105.07017	15.3
107.04926	2.4
107.08579	9.2
109.02845	1.2
109.06504	3.4
109.10122	5.4
115.05448	11.9
116.06219	4.1
117.06977	7.9
119.04893	1.8
119.08546	12.6
121.02813	1.9
121.06486	4.3
121.10131	9.6
123.03606	1.2
123.04407	7.1
123.08060	2.7
128.06216	9.2
129.06982	48.0
130.07733	3.9
131.04890	11.4
131.08545	45.9
133.10104	18.7
135.04358	4.0
135.08000	5.8
135.11653	4.6
137.05943	5.4
141.06964	36.7
141.11395	1.2
143.04906	2.3
143.08533	4.2
144.05678	5.4
145.06470	15.6
145.10094	11.6
146.03513	1.4
146.07220	6.7
147.04405	4.3
147.08000	2.2
147.11688	5.6
148.05110	1.6
149.05952	1.8
149.09576	3.0
149.13165	2.2
153.05380	1.7
153.06937	2.0
155.06039	1.4
155.08525	2.2
156.05573	1.4
157.06462	22.5
157.10107	1.5
158.07269	21.5
158.10777	1.4
159.03078	1.2
159.04425	6.3
159.08034	30.0
159.11676	11.4
160.05177	4.5
160.08441	1.1
161.05905	2.5
161.09587	4.8
161.13214	7.3
162.06688	1.5
163.03879	2.8
163.07501	5.0
163.11101	2.4
167.03429	1.5
169.06427	16.6
169.07622	1.4
170.07265	8.7
173.05978	8.6
173.09566	3.6
173.13202	4.9
174.06738	79.0
175.07491	13.5
175.14742	3.5
176.04678	2.0
176.08241	1.3
177.05376	6.1
177.09079	3.6
177.12685	1.4
182.15495	1.3
183.08023	1.3
183.11612	1.3
185.05884	1.9
186.06738	22.4
187.03877	2.2
187.07474	2.3
188.08296	3.5
189.09077	92.6
190.09447	1.9
191.03294	7.8
191.06987	4.2
191.09105	1.2
191.10576	7.9
201.05421	4.9
201.07175	2.1
201.09070	42.2
201.12759	3.8
201.16330	8.1
202.09514	1.3
203.14288	32.4
206.23538	1.1
209.04469	5.0
219.02882	3.6
219.06854	11.6
219.10127	100.0
219.13977	8.3
219.17400	96.3
220.10318	4.2
220.16876	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	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.19900	0.9
53.39072	1.0
55.01859	1.7
55.05482	3.1
57.03412	1.5
57.07059	1.0
65.78754	0.9
67.05485	3.6
69.03399	1.4
69.07053	4.7
69.86608	3.1
69.87043	4.1
70.29162	1.0
79.05463	4.5
81.07029	2.9
83.08611	1.1
91.04916	1.4
91.05463	16.5
93.07024	4.8
95.04937	1.9
95.08571	3.5
97.06509	10.5
98.21516	1.0
103.05445	3.7
105.03372	1.7
105.07023	8.9
107.04947	0.9
107.08571	4.4
109.06506	1.4
109.10098	1.5
115.05434	13.7
116.06216	2.9
117.07007	5.5
119.04995	1.0
119.08591	7.9
121.06449	3.1
121.10126	6.1
123.04391	6.8
123.08038	1.3
128.06210	9.7
129.06984	42.3
130.04144	1.5
130.07721	3.3
131.04901	11.2
131.08551	42.3
133.06406	1.1
133.10110	6.2
135.04364	1.3
135.07933	1.8
135.11656	2.0
137.05907	4.6
140.06091	1.1
141.06964	35.6
143.04951	2.5
143.08531	3.2
144.05670	6.8
145.06464	10.4
145.10072	4.8
146.07253	5.7
147.04391	1.3
147.11647	1.6
148.05182	1.5
149.05949	1.5
149.13185	1.5
151.07422	1.1
155.05991	1.3
157.06458	23.5
158.07240	22.8
159.04399	5.3
159.08031	26.6
159.11646	4.6
160.05136	6.0
161.06003	1.1
161.09586	4.9
161.13232	3.6
163.03873	1.1
163.07545	3.2
163.11134	1.2
168.05663	1.5
169.06465	14.7
169.07724	2.3
170.07271	7.7
171.04448	1.3
171.07956	1.6
173.05969	6.9
173.09625	1.6
173.13229	2.3
174.06735	76.7
175.07497	12.7
175.14801	1.6
176.08232	1.0
176.14299	2.2
177.05458	8.1
177.09029	1.6
186.06735	19.5
187.07428	3.2
188.08257	3.8
189.09074	100.0
190.09540	3.1
191.07001	3.1
191.10678	6.8
196.03809	1.6
201.05417	2.8
201.09059	42.2
201.16301	3.2
203.14301	13.9
219.06566	5.0
219.10126	92.1
219.13745	2.7
219.17383	45.1
220.10423	2.0
220.16820	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	219.1013
Annotation	Bitalin A
Peak:m/z	Relative Intensity
51.02364	0.8
53.71417	0.6
55.01863	0.7
55.05497	1.7
57.03428	2.0
61.02932	0.8
67.05486	2.2
69.03427	1.1
69.07053	1.8
71.01328	0.8
71.04961	1.0
75.47643	0.7
79.05485	2.6
81.07043	4.1
83.04958	0.8
91.05467	17.2
93.07033	4.6
95.04954	2.0
95.08603	3.3
97.02878	1.0
97.06532	1.2
103.03972	1.0
103.05457	4.6
105.03381	5.2
105.07024	7.5
107.04929	1.3
107.08566	3.5
109.06477	1.7
109.10143	1.1
111.08078	0.6
115.05433	12.1
116.06213	3.1
117.06988	5.2
119.04916	0.9
119.08556	4.9
120.08053	1.2
121.06517	1.1
121.10146	4.4
123.04420	0.8
123.08045	0.8
125.09584	0.8
128.06203	10.0
129.06985	46.7
130.07774	2.5
131.04916	11.5
131.08549	41.4
132.08934	0.7
133.06487	1.0
133.10103	7.8
135.04387	1.4
135.08029	3.8
135.11679	1.4
137.05934	4.1
141.06970	37.4
142.07721	0.9
143.04938	2.4
143.08530	3.6
144.05698	6.5
145.06461	11.4
145.10095	5.1
146.07236	5.8
147.04387	1.8
147.08018	1.4
147.11653	1.1
148.05177	1.7
149.05907	1.4
153.06990	1.0
155.08482	1.0
157.06476	24.9
158.07260	25.1
158.10953	0.8
159.03046	1.0
159.04393	5.0
159.08037	30.5
159.11670	4.7
160.05194	6.0
161.05884	1.7
161.09586	5.0
161.13199	2.2
163.03888	1.6
163.07498	2.9
168.05716	1.1
169.06456	16.2
169.07645	1.3
170.07246	8.5
171.04391	1.0
171.07990	1.2
173.05956	7.4
173.09621	2.3
173.13266	3.1
174.06743	83.1
175.07507	13.6
175.14833	1.1
176.04587	0.8
176.08049	0.9
177.05435	1.9
177.09024	1.2
183.08086	1.4
185.05920	0.9
186.06747	20.5
187.07486	1.8
188.08333	4.9
189.09084	100.0
190.09482	2.1
191.03340	2.1
191.06966	2.9
191.10689	7.8
201.05412	2.1
201.09084	42.6
201.12718	1.6
201.16301	1.8
203.14320	11.4
205.97449	0.7
219.06535	3.9
219.10139	98.0
219.13739	4.8
219.17398	41.1
220.10399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.01858	1.4
55.05487	3.1
57.03425	1.6
57.07066	1.3
64.31020	0.7
65.03880	0.9
65.66792	0.8
67.05493	4.3
69.07025	3.1
71.04971	3.2
71.62178	1.2
72.04513	0.9
79.05480	4.2
81.03382	1.0
81.07031	5.2
83.04964	2.4
83.08600	0.9
90.05510	1.2
91.04935	1.2
91.05465	16.0
93.07044	5.3
95.04991	1.8
95.08598	4.6
97.02869	1.7
97.06511	2.4
102.04666	1.6
103.03919	1.0
103.05434	6.0
105.03382	1.5
105.07017	14.8
107.04932	1.0
107.08577	5.3
109.06478	2.1
109.10129	2.7
115.05438	12.1
116.06245	4.5
117.07016	7.9
119.04898	1.3
119.08568	7.8
120.08135	0.8
121.06503	2.0
121.10140	5.6
123.04411	2.2
123.08027	1.9
125.09576	1.6
128.06194	11.2
129.06987	43.4
130.04126	1.2
130.07834	4.1
131.04909	10.3
131.08549	47.8
133.06407	1.2
133.10103	21.0
135.04373	1.1
135.08043	3.1
135.11664	2.2
137.05943	4.5
141.06966	38.5
142.07773	0.8
143.04865	2.6
143.05927	0.8
143.08528	2.9
143.81544	0.8
144.05652	6.9
145.06459	12.9
145.10086	7.2
146.03664	1.1
146.07262	6.6
147.04335	1.7
147.07977	1.1
147.11679	3.1
148.05220	2.3
149.05954	1.2
149.09589	1.6
151.07475	1.3
155.06035	1.4
156.05634	1.1
157.06451	23.2
157.10078	1.7
158.03749	0.9
158.07246	24.7
159.02911	1.2
159.04405	3.8
159.08038	30.0
159.11647	7.4
160.05148	6.4
161.05933	2.0
161.09610	5.1
161.13228	2.9
162.06764	1.7
163.03891	1.6
163.07495	2.9
163.11140	1.1
168.05682	1.6
169.06439	15.9
169.07706	1.2
170.07242	7.3
171.04349	1.1
171.08057	1.9
173.05948	9.8
173.09598	3.0
173.13234	2.3
174.06738	77.1
175.07495	15.2
175.14772	1.3
176.04626	1.7
176.08136	1.3
177.05460	6.1
177.09105	1.2
177.12740	1.7
183.08029	0.8
185.05997	1.2
186.06747	19.2
187.04942	0.9
187.07518	1.8
188.08336	4.3
188.11954	0.8
189.09076	100.0
190.09471	1.9
191.03360	1.2
191.06970	2.6
191.10666	8.9
201.05432	3.5
201.09079	41.1
201.12770	1.3
201.16383	3.6
203.14291	14.3
204.04179	1.3
219.06532	6.9
219.10132	95.0
219.13756	4.3
219.17395	54.5
220.10461	1.4
220.17674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16015	0.8
54.55712	0.8
55.01861	6.8
55.06549	0.7
57.07067	1.2
59.04979	1.6
59.64492	0.8
61.02626	1.5
61.02916	26.1
61.75332	1.1
67.05488	1.3
69.07054	1.5
70.02923	1.6
70.71618	3.2
71.01341	43.9
72.04475	0.9
75.04466	65.6
79.05477	0.9
81.03347	0.9
81.07030	1.6
84.99251	2.0
85.02892	1.9
87.04449	23.4
88.83960	0.8
89.02378	10.7
90.05534	7.2
91.05464	1.9
98.97563	1.4
101.06014	1.3
103.03923	72.7
105.06998	1.8
119.08561	3.1
121.06541	1.0
121.10094	3.5
124.07583	1.7
131.03386	13.0
131.04906	0.9
133.10100	2.5
135.04366	1.0
142.55325	0.8
145.10149	0.9
146.05966	1.5
147.04292	1.2
159.02863	100.0
161.09549	1.0
169.90501	0.9
175.14749	1.0
184.09738	1.5
187.02341	12.0
188.11914	1.4
202.10631	1.3
203.14296	15.4
206.63263	1.1
219.02985	1.6
219.04909	8.7
219.10056	1.6
219.17393	50.5
220.11722	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	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.7
55.05482	1.3
59.04994	1.6
61.02617	1.6
61.02916	27.8
64.56361	1.1
67.05480	1.5
69.07067	1.4
70.39246	3.2
71.01345	50.6
72.04498	1.4
75.04469	71.3
79.05470	1.1
81.07044	1.2
83.04954	1.0
84.99269	1.4
86.07648	0.9
87.04454	22.0
89.02388	10.8
90.05530	8.9
91.03853	0.9
98.02368	2.0
98.20868	1.2
101.05982	1.6
103.03927	77.2
105.06979	1.6
107.08588	1.5
119.08553	2.9
121.10084	2.6
124.07562	1.9
131.03392	14.5
133.10086	3.1
145.10127	1.2
147.11632	1.1
159.02867	100.0
160.03259	1.7
161.04440	1.4
161.09612	1.3
161.13144	1.5
184.09666	1.5
187.02353	10.7
202.10788	2.3
203.14291	15.4
219.04916	7.8
219.17404	49.1
220.06711	1.1
220.11726	1.5
223.91867	1.1
233.26274	0.9
236.90849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.0
55.05516	1.8
56.96544	1.3
61.02918	25.1
65.83475	1.1
67.05473	1.5
68.72565	1.3
69.07027	2.2
70.02911	8.6
71.01346	37.1
72.04488	2.6
75.04469	55.0
77.54170	1.3
79.05453	2.1
81.07046	2.9
85.02913	2.1
85.06531	2.0
87.04449	17.7
89.02377	9.2
90.05549	16.7
91.05495	3.6
93.07011	2.6
95.04946	2.4
97.75306	1.3
98.02380	2.1
103.03929	68.9
104.68527	1.4
105.07011	4.5
107.08578	2.4
116.03460	3.3
116.20623	1.3
117.06967	1.4
119.08550	7.0
121.10104	5.9
121.89090	1.2
124.07548	2.6
131.03383	11.4
131.08562	3.3
133.10110	5.9
135.04457	1.4
135.07962	2.5
145.06435	1.8
145.10115	1.9
147.11699	3.0
159.02872	91.9
159.11710	2.2
161.09523	2.0
161.13274	3.2
163.03896	1.7
170.10886	2.1
175.14769	2.3
181.27443	1.6
184.09688	2.9
187.02373	7.6
194.70248	1.3
202.10695	3.8
203.14305	31.6
219.04909	7.1
219.06757	2.4
219.17404	100.0
220.11809	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	218.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06805	0.5
57.07069	7.1
58.06571	0.4
62.06087	0.6
70.06582	13.3
70.26691	0.5
70.27105	1.1
71.08617	4.6
88.07620	19.2
98.21352	0.5
102.09171	5.5
106.07967	0.6
106.08656	9.7
110.70882	0.3
114.78136	0.4
120.79105	0.3
136.25250	0.4
156.17427	0.4
174.18407	0.8
200.20064	8.2
218.21121	100.0
219.21445	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61590	1.6
55.05494	1.5
61.12796	1.6
62.77816	1.7
67.05489	1.6
70.02692	7.9
70.03110	2.4
72.08146	2.5
73.17032	1.7
79.51344	1.6
80.68579	1.9
84.08123	13.7
91.22459	1.8
94.06553	100.0
98.97526	1.8
116.98602	2.1
119.01819	2.0
119.08549	1.9
121.10073	1.9
130.08604	5.9
131.88705	1.6
161.02988	1.9
178.03471	2.1
180.75526	1.8
196.04584	8.1
203.14297	5.0
219.17421	19.0
220.04555	15.3
238.05527	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	217.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71472	1.2
53.03923	1.9
55.05502	47.8
56.96551	1.6
57.03417	2.3
57.07053	4.0
58.91067	1.1
59.04988	3.2
65.03927	1.3
67.05152	2.0
67.05495	27.6
69.03408	3.4
69.06699	1.4
69.07057	22.1
71.59247	1.8
73.02890	4.4
79.05477	10.9
81.03387	1.6
81.07045	38.9
83.04973	52.2
83.08605	13.6
85.02876	1.3
85.06519	4.1
87.04456	6.5
89.02371	5.0
89.05540	1.2
89.06004	8.0
91.05473	17.1
93.07022	19.3
95.08595	54.0
97.02866	1.3
97.10152	3.2
99.04440	3.7
101.06010	21.4
105.07020	48.9
107.08579	34.1
109.06496	1.5
109.10143	49.8
111.04430	66.8
111.08018	1.4
111.11662	1.9
112.04770	1.8
113.05994	9.5
115.05464	3.1
117.06993	5.8
119.08566	63.2
121.09270	2.2
121.10123	31.9
123.11687	25.4
124.73258	1.3
127.07534	10.4
128.06250	1.2
129.05461	22.1
129.06982	4.1
131.08551	6.0
132.09415	1.1
133.06410	1.1
133.10107	41.0
135.11673	11.5
137.05928	3.0
137.13231	3.4
143.08537	3.5
145.10078	4.6
147.06517	1.1
147.11668	37.1
149.13222	4.4
155.07013	95.3
156.07370	3.4
157.10092	2.0
159.11653	5.2
161.06001	5.4
161.09592	1.8
161.13232	52.8
162.13841	1.6
171.11632	2.9
173.08083	48.2
173.13229	4.2
174.03108	3.6
175.07590	1.8
175.14806	17.7
187.14880	1.4
189.09119	3.5
189.16322	5.7
199.09593	4.4
199.11287	1.2
199.14792	2.4
202.02586	16.1
217.04967	20.6
217.06961	1.6
217.08690	2.2
217.10631	40.6
217.15866	6.2
217.19487	100.0
218.11005	2.0
218.19746	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	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03944	2.2
53.73063	1.3
54.69542	1.0
55.05241	1.7
55.05502	25.8
57.03422	1.9
57.07054	3.1
62.64948	1.2
65.03927	1.5
67.05496	23.6
69.03428	1.8
69.07053	20.9
70.76086	1.3
73.02886	3.0
79.05473	8.6
81.07043	38.9
83.04972	16.8
83.08605	8.6
85.06506	1.4
89.02367	2.5
89.06017	3.8
91.05466	13.7
93.07040	20.3
95.04940	1.5
95.08595	46.3
95.09202	2.7
97.10146	2.9
99.04443	1.5
101.06026	7.1
105.07017	55.0
107.08578	36.8
109.10139	51.8
111.04425	22.7
111.11678	3.3
113.05994	3.8
117.06994	3.2
119.08563	60.6
121.10123	28.3
123.11696	23.4
124.26082	1.2
127.07542	4.9
128.06152	1.3
128.48036	1.1
129.05457	4.7
129.06900	1.6
131.08539	4.5
133.10117	38.4
135.11674	9.9
137.13232	2.1
143.08511	2.0
145.10117	4.0
147.11661	38.2
149.13235	1.5
155.07013	29.2
157.10117	1.9
159.11711	4.3
161.13237	61.0
171.11653	1.6
173.08095	17.1
173.13329	1.6
174.03145	2.4
174.14064	2.2
175.14787	22.0
176.15404	1.8
189.16364	6.1
199.09563	1.9
199.14658	1.8
202.02574	6.6
217.04993	7.0
217.10672	10.7
217.15955	5.3
217.19487	100.0
218.19827	1.8
231.10669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03923	1.9
55.01847	3.5
55.05242	2.6
55.05503	48.0
57.03421	1.6
57.07058	3.8
58.99575	1.4
59.04959	2.4
65.03922	4.0
67.05151	2.3
67.05495	42.3
69.03402	3.6
69.07059	26.7
69.40726	11.3
69.41146	2.3
71.08571	1.2
71.42403	1.4
73.02880	3.1
77.00601	1.7
77.03849	1.5
79.05482	28.6
81.03399	1.5
81.07047	49.8
83.04973	47.6
83.08621	12.9
85.02893	1.3
85.06524	5.5
85.70829	1.3
87.04449	5.1
89.02368	4.6
89.06013	8.2
91.05469	53.8
92.05797	1.6
93.07030	31.5
95.04936	5.3
95.08591	60.8
97.02847	1.6
97.06506	2.0
97.10152	3.5
99.04435	3.5
101.06005	18.7
103.05441	3.3
105.07014	78.1
107.04926	5.0
107.08582	44.5
109.06490	3.1
109.10141	51.9
110.38560	1.4
111.04427	59.7
111.11668	2.5
113.05981	7.6
115.05441	3.9
117.07006	19.6
119.08566	74.5
120.08862	2.0
121.06454	3.6
121.10135	33.6
123.08044	3.3
123.11689	26.7
127.07516	8.3
128.06248	6.3
129.05478	20.0
129.06975	27.7
131.08554	15.5
133.06474	2.9
133.10109	46.6
135.08012	3.6
135.11670	13.1
137.05930	2.8
137.13217	3.7
142.07761	3.0
143.08531	9.7
144.09215	1.3
145.10103	9.7
147.08046	2.4
147.10591	2.4
147.11673	38.5
149.09564	2.0
149.13232	2.6
155.07010	81.9
156.07358	3.2
157.06508	2.4
157.10124	11.1
159.07985	2.0
159.11633	7.1
160.05040	1.7
161.05959	3.7
161.09592	3.3
161.13243	58.3
162.13918	1.4
171.11658	6.6
173.05930	2.5
173.08076	41.6
173.13264	5.2
174.03076	3.7
175.07646	1.3
175.11212	2.2
175.14816	20.1
185.05931	4.3
189.09082	14.6
189.16362	9.2
199.09628	3.8
199.14777	11.4
202.02553	16.0
202.06213	2.0
217.04961	21.9
217.08562	11.8
217.10652	33.3
217.12292	2.6
217.15918	59.5
217.19464	100.0
218.05177	1.4
218.16374	1.9
218.19806	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	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05494	9.8
67.02966	1.3
67.05496	12.4
69.07060	12.5
71.17832	1.4
71.33543	1.9
71.33894	2.2
74.09250	1.2
79.05473	4.7
79.53967	1.1
81.07044	17.1
83.04976	8.7
83.08589	5.3
91.05458	5.8
93.07031	10.9
95.08592	42.3
101.06010	2.4
105.06349	2.0
105.07015	25.8
107.08575	21.0
109.10141	31.6
111.04419	7.5
117.06997	1.7
119.08559	24.4
121.10121	23.9
123.11694	14.2
129.05493	2.6
133.10118	13.4
135.06621	1.9
135.11700	6.2
147.11661	18.6
149.08141	1.4
149.13206	2.9
155.06989	11.6
159.11615	1.5
161.13217	37.0
173.08047	7.0
175.14790	5.2
178.69720	1.3
189.16367	4.5
217.04834	1.5
217.10654	5.0
217.19487	100.0
218.19829	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	217.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	2.1
55.05239	1.8
55.05499	35.4
57.03411	2.7
57.07055	3.2
59.04982	2.1
65.03917	1.6
67.05492	26.3
69.03413	2.5
69.06698	1.1
69.07054	20.9
70.71259	2.1
70.71638	1.8
71.08562	1.1
73.02911	7.9
73.25420	0.9
75.02654	1.5
79.05479	10.6
81.03394	1.1
81.07042	35.8
83.04964	34.1
83.08611	9.5
84.04503	1.0
84.05276	1.3
85.02877	3.6
85.06533	1.8
87.04442	5.0
88.25806	1.0
89.02370	3.5
89.06010	5.0
91.05465	20.4
93.07029	18.0
95.04961	2.5
95.08591	48.2
97.02863	3.3
97.06562	0.9
97.10143	4.0
99.04427	2.9
101.06007	11.8
105.07008	54.2
107.08570	36.3
109.02802	1.1
109.06522	1.4
109.10133	45.4
111.04421	42.9
111.11723	2.4
112.81519	1.1
113.05966	6.3
115.05403	2.3
117.06998	8.4
119.08556	57.2
121.10126	29.0
123.11687	19.5
127.07551	6.0
128.06207	2.5
129.05470	14.5
129.06964	3.7
131.08528	4.4
133.06442	1.2
133.10107	39.5
135.04347	1.0
135.11655	11.5
137.05933	2.0
137.13216	4.5
143.08540	4.7
145.10106	3.7
147.07968	1.1
147.11661	35.8
149.13258	2.6
150.45081	0.9
151.02376	5.1
155.01877	3.3
155.07001	63.5
156.07368	2.7
157.04971	1.0
157.10059	3.2
159.11609	6.9
161.05948	2.1
161.09615	3.3
161.13234	52.9
162.13916	1.9
169.03456	51.1
170.03427	2.8
171.01378	11.1
173.08073	31.8
173.09570	1.6
173.13248	3.5
174.03055	2.4
174.06592	1.2
174.13925	1.3
175.07529	1.4
175.14804	19.4
185.36107	0.9
189.09023	3.2
189.16379	6.7
192.05046	3.2
199.09601	3.2
199.11209	1.2
199.14888	2.9
202.02580	13.2
203.02890	1.2
217.04967	15.8
217.06900	1.4
217.08594	4.1
217.10551	23.8
217.15932	8.3
217.19481	100.0
218.20003	1.1
235.11679	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	217.1584
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03946	2.0
55.01859	2.9
55.05503	28.5
57.03400	1.1
57.07055	2.7
59.04982	2.3
63.36462	1.0
65.03909	2.8
66.95900	1.3
67.05198	1.7
67.05493	17.2
69.03412	7.7
69.07054	8.5
69.27248	1.4
69.27882	13.2
71.04964	2.3
72.39417	1.2
73.02897	2.2
79.05486	16.0
81.03386	2.1
81.07043	20.3
83.04964	40.9
83.08590	6.0
85.06522	4.8
87.04437	5.6
89.02355	3.8
89.05989	6.6
91.05463	18.5
93.07032	32.1
95.04952	51.6
95.08586	28.2
97.06512	12.1
98.21500	2.2
99.04446	2.9
101.06004	16.5
103.05449	2.0
105.07013	67.1
107.04920	3.1
107.08575	30.4
109.06499	17.3
109.10142	18.0
111.04424	51.7
111.08047	6.2
113.05969	5.4
115.05444	2.3
117.06985	5.7
119.07749	2.1
119.08565	39.5
121.06477	5.4
121.10125	95.7
123.08041	17.3
123.11660	3.4
125.09603	1.4
127.07536	9.5
128.06178	4.7
129.05470	16.7
129.06944	9.6
131.08542	11.1
133.06444	3.7
133.07576	1.4
133.10103	28.4
135.08040	3.0
135.11636	6.0
137.09608	5.3
141.06938	1.8
142.07776	7.6
143.08542	16.4
144.09337	3.4
145.10115	6.9
147.08040	11.9
147.11673	11.3
149.09647	2.2
155.07007	67.8
155.08316	2.7
156.07324	1.5
156.09285	4.4
157.10109	21.3
158.10861	1.6
159.07997	1.7
159.11676	13.9
161.06021	3.0
161.09598	21.5
161.13213	5.2
169.10100	2.7
170.10869	2.2
171.11665	10.6
173.08072	37.0
173.09367	1.9
173.13210	11.9
174.03117	2.6
174.06668	3.7
174.18530	5.2
175.11124	6.2
175.14780	5.6
184.12440	2.9
187.14825	3.5
189.09001	6.1
189.12733	1.5
189.16360	9.3
194.04839	1.3
199.07547	1.9
199.09589	3.9
199.14792	38.4
202.02559	13.3
217.04953	18.9
217.08586	7.2
217.10672	32.8
217.15843	100.0
217.19415	7.0
218.16165	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0857
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.01807	0.3
55.05420	5.6
55.05718	0.9
56.71336	0.3
59.04936	0.4
67.05408	1.3
68.81651	0.2
68.99699	1.1
69.03360	0.5
69.06972	1.9
70.92667	0.6
71.04913	0.3
73.02832	0.4
79.05391	1.1
79.05840	0.4
81.06949	1.3
83.04881	7.3
83.08528	0.8
85.06428	0.8
87.04375	0.8
87.93736	0.2
89.02304	0.3
89.06032	1.2
91.05459	2.3
93.07027	1.4
95.04861	0.7
95.08604	2.1
97.06412	0.2
99.04387	0.4
101.05997	2.9
103.05382	0.5
105.07021	3.8
107.07938	0.2
107.08564	2.2
109.06429	0.3
109.10132	1.3
111.04429	9.4
111.08018	0.4
113.06007	1.6
115.05427	1.9
116.06177	0.3
117.07023	1.6
119.04852	0.3
119.08561	6.2
121.06455	0.4
121.10131	2.2
123.08028	0.6
123.11681	0.4
127.07560	1.5
128.06209	4.8
129.05472	3.2
129.06978	4.0
130.07729	0.6
131.04900	1.4
131.08545	2.2
133.06476	3.0
133.10101	3.0
135.07932	0.7
135.11607	0.5
142.07684	0.8
143.08546	1.8
145.06451	1.9
145.10095	1.4
146.07268	1.6
147.08095	1.2
147.11646	2.0
149.09517	0.7
155.07005	14.0
156.05684	2.3
156.09297	0.5
157.06445	1.1
157.10126	1.8
159.04340	0.8
159.08075	0.5
159.11673	1.3
160.05083	0.3
161.05869	0.6
161.09573	2.1
161.13239	1.2
169.10118	0.3
171.08049	1.1
171.11604	1.1
173.05927	2.4
173.08047	7.1
173.13200	1.7
174.03067	0.6
174.06750	12.2
175.07376	0.3
175.11089	1.5
175.14799	1.4
177.05377	0.3
184.12483	0.2
187.14796	0.5
189.09079	100.0
189.16331	1.2
190.09383	2.0
199.09583	0.6
199.14844	1.3
202.02582	3.0
217.05334	4.1
217.08614	33.0
217.10692	6.2
217.15836	9.7
217.19525	1.5
218.08981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01848	4.4
55.05503	44.2
56.05010	2.0
56.96556	58.6
57.03428	5.2
58.06596	6.2
58.96166	1.1
58.99839	3.5
59.04972	4.5
59.05229	1.0
59.06916	1.2
60.04506	2.5
60.95834	2.0
61.02895	3.2
61.77150	0.9
65.03927	1.8
67.05505	5.9
67.05792	1.1
68.04996	1.5
69.03419	12.3
69.07035	2.8
69.65152	7.0
70.06584	17.1
70.97793	1.0
70.98111	10.3
70.99821	3.6
71.01325	2.1
71.04964	2.8
71.95235	2.1
72.04520	4.8
72.08144	51.1
73.02908	6.3
73.05278	1.1
74.97607	1.6
75.26367	1.0
77.00879	4.3
79.05460	1.2
81.03413	5.0
81.07020	2.1
82.06570	1.4
83.04969	59.9
83.08582	3.2
84.04478	1.2
84.08133	8.0
84.96026	5.0
85.02886	9.4
85.06543	5.0
85.08447	2.4
86.03678	2.2
86.06033	1.8
87.04461	11.9
88.07600	2.0
88.99135	6.1
89.00858	2.3
89.02390	7.4
89.06014	12.4
91.05446	2.8
93.03363	1.8
94.02890	3.1
95.01930	1.0
95.04939	2.8
97.02885	11.7
97.06502	1.5
97.96812	1.3
97.99160	1.5
98.06047	1.6
98.09666	1.2
98.97569	25.6
98.98573	1.2
99.04439	7.0
100.02378	1.1
100.03967	1.6
100.05241	1.1
101.00861	9.5
101.06007	24.7
102.96975	1.1
103.02419	2.9
105.07030	2.4
107.00164	2.4
107.04923	1.7
109.02850	3.6
110.97531	3.2
111.00233	1.7
111.04427	77.1
111.08060	2.3
112.04831	1.1
112.07566	1.4
113.05991	12.0
114.05486	3.2
115.02411	2.5
115.03898	1.4
115.05402	1.4
116.07018	1.7
116.98600	21.5
117.01841	2.9
118.01004	3.2
118.08627	1.5
119.01900	57.7
119.04865	1.9
119.52643	1.2
120.00758	1.6
120.01983	2.1
121.01634	2.6
121.03526	2.2
121.06461	1.2
122.75710	0.9
125.02631	3.3
127.01532	6.7
127.02334	1.4
127.03883	3.3
127.07546	12.8
128.07051	2.7
128.98587	7.9
129.01888	2.1
129.04568	1.8
129.05460	25.2
129.06950	2.1
129.10217	1.4
130.01787	1.3
130.05003	6.7
131.00150	1.3
131.01872	5.5
133.01602	2.0
133.03452	18.6
133.10152	1.6
134.03680	1.4
134.99637	16.0
135.03098	1.2
136.01991	2.2
137.02940	17.2
137.05957	5.9
138.05447	1.1
139.02545	1.1
140.00200	1.7
141.05449	5.0
142.03470	4.1
142.96460	1.8
143.00146	2.0
143.01936	1.2
145.01706	1.2
145.03435	16.8
146.01294	2.6
146.99641	7.6
147.01360	1.5
147.03081	1.4
147.06479	1.1
149.01193	3.0
149.02859	3.6
150.00737	1.6
150.98911	1.1
151.04494	6.7
153.00705	2.2
153.01942	1.2
155.07007	100.0
156.06491	8.3
156.98088	1.2
157.03455	2.1
158.01207	1.3
158.99597	4.6
159.04962	1.2
160.97502	2.7
161.01195	5.4
161.02994	5.5
161.04094	1.0
161.05910	1.2
163.02696	2.0
163.04462	8.7
165.00679	3.0
170.99680	1.5
171.01353	2.5
172.06013	9.3
173.01181	1.7
173.03680	1.3
173.08069	59.8
174.03105	2.7
174.11191	2.8
174.97620	1.7
174.99120	10.7
175.00835	19.7
175.04410	2.0
177.00691	9.7
178.98512	1.3
179.02310	1.7
181.00601	1.2
189.00742	1.6
189.02371	7.2
189.03935	1.7
189.05807	1.8
190.07051	3.6
190.98529	3.0
191.02219	1.5
191.03918	1.9
193.00154	24.0
193.01898	9.3
194.02884	1.4
195.01715	3.5
199.00847	3.9
199.04211	1.5
199.08051	1.3
199.09622	6.3
200.05530	1.7
200.12871	1.4
201.04083	1.5
202.02594	13.9
205.00185	1.1
207.01701	2.5
207.03448	2.1
208.04813	2.3
208.55045	1.5
211.01212	2.8
213.00604	1.2
215.02068	1.4
217.00104	2.9
217.01985	11.4
217.04997	20.1
217.06935	2.4
217.10670	47.1
217.16267	23.8
218.06639	6.1
218.10208	1.4
219.01808	1.1
219.06961	1.1
232.94598	1.2
233.03212	1.1
235.01164	4.2
235.02969	3.9
237.02774	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	217.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66630	0.4
55.05500	0.9
56.96558	3.8
58.99855	0.8
70.28357	2.2
77.00890	0.6
82.99830	1.1
83.04967	1.9
84.96042	0.5
85.01394	1.8
98.97567	3.7
100.02435	0.6
101.00858	18.7
101.01534	1.0
101.06017	0.8
102.00919	0.6
103.02429	13.6
111.04417	2.5
111.57536	0.5
115.99032	0.4
116.98606	2.4
119.01900	100.0
120.01988	3.6
121.01615	0.7
121.03468	9.7
127.02378	3.0
129.00339	1.2
129.05438	0.9
131.00983	0.8
131.01889	11.9
132.01888	0.5
133.03458	0.4
134.99664	1.2
136.02933	0.4
137.02933	36.2
138.03020	0.8
142.03491	2.5
143.01875	0.8
145.03439	78.9
146.03561	1.9
147.01370	6.5
149.02960	5.4
155.06966	3.6
156.97453	1.1
160.04474	0.7
161.02893	0.9
162.99239	1.0
163.04498	49.4
164.04651	1.2
165.00624	0.8
165.02452	0.8
168.05042	4.2
170.98990	2.0
171.01376	4.5
171.02937	0.7
172.97742	0.5
173.02974	3.4
173.08029	2.2
174.98627	0.9
175.00798	1.3
175.04335	0.5
176.99033	0.7
177.00623	0.7
181.98181	1.4
182.02637	0.6
183.01569	0.7
185.00038	0.4
185.99608	0.5
186.06087	1.6
189.00084	2.2
189.02423	31.8
190.02408	1.6
190.98724	3.0
191.03986	4.7
193.00166	1.4
193.01933	3.0
194.00591	2.0
194.02821	0.5
199.00806	1.7
199.99318	0.5
207.03471	17.3
211.51910	0.5
211.99271	2.1
212.01689	2.1
212.04025	1.5
214.05478	0.6
216.99916	0.5
217.01907	7.4
217.05119	0.7
217.10664	1.5
230.04991	0.6
235.02927	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	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01869	0.5
55.05504	3.8
56.05015	0.6
56.96557	8.9
57.03428	1.2
57.07042	0.3
58.06591	16.2
58.96141	0.3
59.04972	0.6
60.04525	0.5
60.95835	0.2
61.02911	0.4
62.78130	0.2
65.03913	0.2
67.05473	0.7
68.04996	0.2
69.03426	1.7
69.07047	0.6
70.06277	0.2
70.06585	2.2
70.98100	0.9
71.04961	0.5
71.07349	0.3
71.37033	0.4
71.95271	0.4
72.04484	0.3
72.07768	0.3
72.08140	3.4
72.93760	0.2
73.02903	0.6
73.05286	2.4
73.06544	0.2
74.06050	0.2
74.97601	0.2
76.81572	0.2
79.05469	0.3
81.03397	0.6
81.07047	0.4
81.35579	0.2
82.06560	0.7
83.04965	5.4
83.08576	0.2
83.97599	0.4
84.04473	0.4
84.08125	3.6
84.96018	0.5
85.02891	1.3
85.06089	0.2
85.06535	1.9
86.06047	0.4
86.09700	1.0
87.04454	1.4
88.07617	15.0
88.99135	0.7
89.02370	0.5
89.06007	0.7
90.05527	0.6
91.05489	0.5
93.03413	0.2
93.07014	0.2
94.06535	0.3
95.04951	0.4
96.04471	0.2
96.08103	0.2
97.02882	2.8
98.06049	0.2
98.97566	3.4
99.04428	0.4
100.05259	0.2
100.07610	0.7
100.99163	0.2
101.00855	0.3
101.06007	2.0
102.00876	0.2
102.05578	0.2
105.07037	0.2
107.00152	0.3
107.04939	0.2
108.86207	0.2
109.02853	0.3
109.06461	0.3
110.05975	0.2
110.97541	0.4
111.04422	6.2
112.03968	0.2
112.07556	0.2
113.01759	0.2
113.06013	1.1
113.98607	0.3
114.05534	0.3
114.09134	3.2
115.03924	0.4
116.07091	0.4
116.98603	3.2
117.03824	0.2
118.01102	0.2
119.01911	1.7
119.04930	0.3
120.01997	0.2
122.03599	0.4
122.09630	0.2
124.03941	0.2
124.07581	0.5
125.02459	0.2
126.09110	0.8
127.03918	0.3
127.07525	1.2
128.00162	0.3
128.07050	0.6
128.98538	0.7
129.05458	2.2
129.10234	0.3
130.01746	0.4
131.00171	0.3
131.01840	0.4
131.99631	0.3
132.10173	3.2
132.95808	0.3
134.01241	0.3
134.99640	2.9
135.04358	0.2
137.02908	0.4
137.05965	3.9
138.05426	0.6
138.06303	0.7
138.54141	0.6
139.01704	0.2
139.52983	0.2
140.10669	0.4
142.08615	0.5
143.00108	0.3
144.10188	2.3
145.01616	0.2
145.03432	0.5
146.01219	0.9
146.99609	0.8
147.04329	0.3
148.02773	0.5
149.01224	0.6
150.00711	0.3
150.96854	0.5
153.00662	0.5
154.08578	0.5
155.02939	0.3
155.06996	7.6
156.06477	0.4
156.07683	0.5
156.10220	0.7
157.01582	0.2
158.01227	0.3
158.08122	0.3
158.99640	0.7
159.54630	0.4
160.97560	0.7
161.01184	1.0
161.05957	0.2
162.99115	0.3
164.02281	1.7
165.00667	0.5
170.08136	0.2
172.09624	0.4
172.13322	0.3
173.08072	4.2
173.98540	0.2
174.00703	0.7
174.03069	0.4
174.08797	0.4
174.99092	0.9
175.00557	0.2
177.00671	1.6
179.02203	0.2
182.03398	0.6
184.09677	0.5
189.00780	0.3
189.02504	0.3
189.09044	0.3
190.00128	0.3
191.02209	0.4
192.01819	0.6
193.00171	1.6
193.01707	0.3
195.01663	0.4
195.55679	0.6
198.07588	0.3
198.11205	0.6
198.14839	0.3
199.09669	0.2
201.04729	0.2
202.00885	0.3
202.02524	1.6
204.56210	2.3
207.01782	0.5
211.02818	0.5
212.46187	0.2
216.15912	100.0
217.00154	0.3
217.02156	0.2
217.02901	0.2
217.04935	1.5
217.08719	0.2
217.10672	3.4
217.16243	1.7
218.06963	0.3
228.05333	0.3
235.02754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1427
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03925	0.7
55.05492	2.4
57.07055	1.2
59.04968	0.8
65.67274	0.8
66.97421	0.7
67.05479	3.3
69.03409	1.4
69.07041	1.6
69.37049	6.8
69.37473	1.5
71.04989	4.0
71.24519	0.6
72.08147	1.1
74.09702	1.4
79.05472	3.2
81.03381	0.9
81.07044	4.1
83.08576	1.3
91.05463	6.8
93.07034	4.9
95.04948	4.6
95.08595	4.2
97.02827	0.8
98.98427	1.8
101.62383	0.8
105.07004	7.9
107.08554	2.8
109.06476	2.7
109.10142	1.1
115.05425	2.6
116.06178	1.7
117.06998	5.1
119.08557	10.3
121.06453	3.2
121.10138	1.2
123.08044	1.7
128.06213	3.5
129.06998	7.2
130.07770	2.1
131.08542	18.2
133.06577	0.9
133.10124	4.1
135.08002	2.0
141.06941	5.1
142.07747	12.4
142.13675	0.9
143.08525	13.9
144.05666	1.7
144.09297	2.3
145.06464	4.2
145.10101	23.7
146.10463	1.0
150.96843	3.3
152.06245	0.9
154.07722	2.1
155.08542	6.1
156.09312	10.8
157.10104	41.3
158.07269	2.0
158.10880	11.7
159.08031	10.3
159.11673	6.8
160.08797	1.1
167.08522	9.3
169.06412	0.9
169.10089	11.0
171.07999	1.2
171.11664	11.1
172.05122	0.9
172.08784	2.4
172.12422	9.2
173.05894	1.2
173.09607	14.1
173.13226	30.8
181.10161	1.2
182.09319	1.5
182.10883	23.0
185.09633	4.3
186.10367	2.0
187.07516	1.8
187.11206	4.4
187.14806	9.8
191.97037	1.0
197.06998	3.3
197.09592	1.3
197.13225	31.7
198.13634	1.1
200.11960	6.4
215.07094	5.8
215.10701	6.5
215.14275	100.0
215.17838	6.5
216.14610	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01846	6.2
55.05494	17.0
57.07052	7.4
63.18518	3.8
66.94312	3.5
67.05482	11.5
69.03407	10.0
69.07054	27.0
70.06576	9.7
70.74824	9.4
71.04956	13.3
79.05474	21.5
79.11664	4.1
81.07044	28.4
83.04958	7.0
83.08614	13.1
85.06522	10.9
86.09677	6.7
91.05460	11.3
93.07033	25.2
95.04928	7.3
95.08595	41.2
97.06521	5.2
97.10166	6.8
99.08092	25.5
105.06991	8.1
107.04902	4.9
107.08586	48.9
109.10127	17.4
111.08055	13.5
121.10139	59.1
123.08035	6.1
125.09596	13.9
127.86126	4.1
129.06998	9.9
133.10098	9.3
135.11649	19.4
137.13231	7.4
142.07727	5.3
149.13278	8.0
151.03850	10.0
152.04636	10.2
155.72656	3.8
157.06465	7.4
157.10081	8.1
170.56815	4.0
177.16341	100.0
185.05833	5.7
185.09552	11.3
189.31851	4.2
193.96294	4.8
195.06490	82.4
195.08115	7.0
195.10216	5.0
195.17444	14.7
196.55219	4.4
198.05106	7.9
213.05467	19.2
213.09087	15.7
213.18221	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	213.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28217	0.4
51.02348	0.5
53.00284	0.4
53.03931	2.1
55.05503	2.6
56.73383	0.4
56.96541	0.5
57.07071	2.6
66.04688	0.6
67.05477	1.1
69.03405	0.4
69.07068	4.8
71.04977	0.4
71.58621	0.7
79.05482	5.6
81.03408	0.6
81.07040	1.9
83.08596	1.7
85.02894	1.0
88.07603	0.5
91.05477	7.1
93.07046	4.9
94.04162	1.7
95.04948	2.9
95.08575	1.7
103.05437	1.3
105.07016	36.5
106.07331	0.4
107.08578	4.7
108.05718	0.9
109.02849	1.2
109.06480	1.5
115.05436	1.3
117.06982	2.3
119.08567	30.9
121.02901	0.7
121.10125	6.3
122.03622	1.6
123.04417	2.8
124.05221	0.9
125.05925	0.6
126.03044	0.7
128.06197	7.1
129.06996	5.5
131.08537	1.6
133.10126	4.1
135.04384	0.5
137.02312	1.8
139.03909	0.4
139.07501	1.7
141.06979	2.5
142.06723	0.6
142.07764	9.8
142.69569	0.5
143.08540	37.8
144.08876	0.6
145.06468	0.9
145.10103	2.3
151.03891	7.6
152.04663	6.9
154.02586	0.9
154.06303	0.5
154.07703	0.6
155.06995	1.8
155.08524	1.9
155.92236	0.4
156.09328	9.7
157.10106	38.0
158.10806	1.7
159.11673	1.1
165.05446	0.8
169.10153	2.7
170.10880	2.6
171.11664	31.0
172.12222	1.0
177.56375	0.4
180.04179	1.3
183.02853	1.6
183.07964	0.8
183.11664	4.5
184.12425	1.7
185.13222	3.8
192.86671	0.5
195.06506	100.0
196.06845	3.6
197.13316	0.6
198.05200	6.1
198.14024	3.5
199.14778	0.5
213.05582	0.9
213.07364	0.8
213.09241	1.2
213.12776	2.1
213.16362	71.5
214.16730	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	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03929	3.6
55.01863	17.8
55.05503	75.0
57.03422	1.6
57.07055	2.9
59.04993	2.4
59.38324	1.4
61.60112	1.3
67.05496	32.3
68.09200	1.5
69.03426	10.2
69.07053	18.9
70.06568	3.4
71.04982	77.4
71.70374	1.5
76.85030	1.3
78.25545	1.6
79.05485	22.3
81.03384	3.1
81.06627	2.6
81.07049	36.2
83.04945	5.3
83.08607	45.1
85.02879	2.3
85.06529	7.8
87.04422	7.8
91.05445	10.7
93.07034	21.9
95.04944	4.1
95.08093	1.7
95.08598	18.3
97.06519	100.0
97.10155	64.1
99.04408	1.5
99.08057	2.5
101.09629	2.9
105.07036	3.3
107.04936	2.3
107.07921	1.8
107.08580	21.3
109.06478	3.5
109.10146	16.5
111.08044	4.8
115.05383	1.8
117.06961	3.9
119.08552	3.4
121.06461	4.0
121.10094	6.3
125.09611	41.1
126.09956	1.5
127.03862	2.1
128.06172	3.9
129.06960	3.5
130.89264	1.5
131.08511	6.5
133.10046	3.5
135.08075	8.2
135.09108	1.1
135.11676	9.2
141.06976	1.5
142.07733	5.0
143.08528	3.4
149.09550	2.1
149.13223	4.4
151.03841	1.5
152.06180	1.9
153.09058	3.3
155.08446	1.7
156.09286	1.7
157.06458	3.9
157.10081	6.9
159.11642	6.3
165.06940	2.9
167.08542	2.7
167.10678	1.5
170.03558	3.2
170.07219	1.6
170.10863	2.3
171.07979	1.6
171.11716	3.6
172.59261	1.6
177.12708	6.8
180.09352	3.7
185.05891	2.8
185.09592	5.6
185.13202	3.7
189.11224	6.8
195.06476	19.8
195.08031	2.5
195.11871	3.0
195.13771	44.3
198.05148	2.1
198.10321	2.6
213.05492	12.6
213.09119	13.7
213.12791	7.6
213.14781	94.5
213.16418	4.3
214.15224	2.6
216.04175	2.7
231.06412	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	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03950	2.8
55.01862	1.7
55.05507	2.1
56.96567	1.5
57.03446	1.5
62.58845	0.6
65.03927	1.4
66.04733	1.4
67.05500	3.2
67.16232	0.6
68.99809	0.9
69.03430	2.5
69.07052	1.0
70.06583	5.2
70.88990	1.7
70.89345	0.9
71.04980	1.3
72.08147	1.4
74.72594	0.7
77.03912	0.8
79.05481	11.9
81.03410	1.6
81.07041	3.3
82.60605	0.7
83.04949	2.2
85.02909	2.6
86.09679	0.8
88.07648	1.6
91.05466	37.5
91.06044	1.8
93.07031	22.0
94.04131	0.9
95.04950	4.6
95.08598	3.7
97.02878	1.2
97.06522	1.3
99.04444	1.4
103.05444	1.6
105.07013	34.7
107.04955	3.9
107.08576	45.8
109.02863	1.7
109.06529	4.5
109.07413	0.6
109.10165	1.3
111.04449	1.3
111.08048	1.0
115.05413	1.9
116.06237	3.5
117.07001	3.5
119.04919	2.3
119.08561	100.0
120.08925	1.2
121.02835	2.9
121.06485	2.5
121.10124	21.9
122.03661	1.2
123.04408	2.0
123.08042	8.0
123.11688	1.5
124.05180	1.0
125.02388	0.9
125.05994	2.0
125.09615	2.0
127.03879	2.2
128.06172	0.9
129.06975	3.0
131.08543	26.6
133.06453	3.8
133.07440	1.2
133.10106	6.2
135.04388	2.2
135.08026	8.0
137.02367	1.1
137.05925	1.4
137.09602	3.6
139.03802	1.2
139.07507	0.9
142.07745	1.0
143.08482	0.9
147.08025	28.2
148.04945	0.9
148.97302	1.0
149.05917	0.9
149.09593	28.9
151.03862	6.0
151.07564	0.7
152.04657	3.9
152.06052	0.9
153.05405	2.0
153.09053	2.0
155.06987	1.8
159.08038	8.4
159.42981	0.8
163.03862	0.7
165.09091	31.0
167.06990	2.7
167.08452	1.5
167.10655	10.7
177.05690	0.9
177.09097	25.5
182.02020	0.7
184.30067	0.7
195.06497	54.5
195.08022	2.0
195.10118	28.8
198.05164	3.1
213.05383	4.2
213.09131	4.7
213.11143	56.4
214.11555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03920	2.4
54.59933	0.9
55.01854	2.6
55.05474	3.9
55.60165	0.9
56.96560	9.0
57.03404	1.0
57.07056	1.0
61.02895	1.5
63.70283	1.0
65.03901	2.1
67.05473	3.3
68.05003	1.9
69.03384	4.3
69.07034	2.3
70.06578	8.5
71.04984	1.7
71.51061	0.9
71.61690	1.3
72.08142	7.7
77.03876	1.1
79.05045	0.8
79.05481	15.2
81.03378	2.9
81.07047	5.1
83.04946	4.1
84.04514	1.2
84.08111	1.6
85.02863	3.4
86.09682	5.7
88.07593	2.3
91.05463	41.4
93.07028	23.3
95.04932	8.0
95.08587	4.7
97.02832	3.1
97.06503	2.6
98.97545	2.5
99.04435	1.6
103.05464	1.4
105.03362	1.1
105.04498	1.0
105.07011	34.7
107.04949	5.1
107.08575	47.9
109.02829	2.6
109.06509	5.3
109.10105	1.3
111.04424	1.8
111.08040	1.3
114.88718	1.0
115.05423	1.3
116.06194	2.7
116.07008	1.4
116.98570	2.2
117.07024	4.4
119.01778	1.4
119.08558	100.0
120.08894	2.3
121.02827	1.9
121.06455	3.6
121.10115	23.6
122.03587	2.5
123.04365	3.5
123.08047	7.9
125.05926	3.5
125.07017	1.0
125.09582	1.6
127.03933	2.1
129.06949	3.9
131.08542	32.4
133.06439	3.7
133.07388	1.0
133.10075	5.6
134.99612	1.0
135.04347	4.1
135.08011	9.7
137.02278	1.2
137.05939	2.3
137.09583	3.3
139.07491	1.5
141.06754	1.6
146.99619	1.2
147.06877	1.7
147.08023	29.8
148.97290	3.0
149.01254	1.0
149.05899	3.2
149.09593	29.3
150.02916	1.1
151.03871	8.6
151.11130	1.0
152.04692	5.1
152.07076	1.5
153.05411	4.0
153.06566	0.9
153.09073	2.2
154.06152	1.2
155.06973	2.8
157.06361	1.5
157.10097	1.2
159.08015	7.9
161.01180	1.1
163.03874	1.2
165.05406	1.9
165.09094	28.7
167.06937	4.0
167.08321	1.5
167.10666	10.7
174.00639	1.4
177.05309	1.9
177.09090	23.5
181.04982	1.1
183.02808	1.6
185.05765	1.0
188.92244	1.1
192.70203	0.9
195.06497	63.1
195.10120	26.1
196.06786	1.8
198.05161	3.5
213.05421	2.3
213.07263	1.5
213.09428	2.0
213.11131	45.6
213.15794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03935	1.2
64.43098	0.3
65.03922	0.2
66.04696	0.7
67.05488	0.4
69.03409	0.4
70.96938	0.5
77.03506	0.2
77.03919	0.6
79.05478	2.7
81.03378	0.6
81.07030	0.7
85.02884	0.9
87.11267	0.2
91.05492	0.3
94.04170	2.0
95.04960	2.7
95.08579	0.3
97.75797	0.2
99.04439	0.2
105.03397	0.4
105.04504	0.3
107.04947	0.4
107.08587	0.3
108.05714	0.6
109.02851	0.9
109.06517	1.6
115.06840	0.2
121.02850	0.6
122.03647	2.1
123.04424	3.2
124.05159	1.5
125.06001	0.3
129.06941	0.2
135.04390	1.0
137.02321	2.3
137.05943	0.4
139.03899	0.3
139.07492	1.3
143.08507	0.3
151.03889	8.5
152.04677	7.2
154.02586	0.6
154.06277	0.5
155.07021	2.1
157.06506	0.4
157.10056	0.3
163.65344	0.2
165.05382	0.6
165.06613	0.8
167.07132	0.3
167.08543	0.8
180.04199	1.8
183.02913	2.0
195.06502	100.0
196.06841	2.0
198.05208	6.4
198.06618	0.3
213.05455	0.6
213.07484	0.9
213.09116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
53.04164	0.2
55.01853	0.4
55.05494	0.3
65.03934	0.4
66.04698	0.8
67.05479	0.4
69.03416	0.4
69.07046	0.3
70.06572	0.3
71.58336	0.3
75.62968	0.2
77.03924	0.2
79.05489	2.7
81.03398	0.6
81.07038	0.9
83.08546	0.3
85.02896	1.1
91.05453	0.4
92.02621	0.3
93.07023	0.5
94.04180	1.7
95.04958	2.2
95.08601	0.4
96.05746	0.2
105.03378	0.3
105.04480	0.3
107.08606	0.3
108.05718	0.4
109.02861	1.2
109.06509	1.4
111.08092	0.3
117.34803	0.2
121.02857	0.7
121.10110	0.3
122.03655	1.9
123.04398	3.0
124.05209	1.5
125.09616	0.2
126.03126	0.2
128.06168	0.3
129.06972	0.6
135.04396	0.9
137.02321	2.1
137.05995	0.3
139.03917	0.2
139.07516	1.5
142.07797	0.2
143.08612	0.3
151.03885	7.3
152.04666	7.1
152.06018	0.3
154.02576	0.7
154.06281	0.4
155.07005	2.0
157.06412	0.2
157.10081	0.4
165.05429	0.7
165.06696	0.7
167.07057	0.6
167.08559	1.2
170.07161	0.3
177.16299	0.3
179.03491	0.2
180.04153	1.3
183.02928	1.9
184.05161	0.6
185.05888	0.4
185.09607	0.7
195.06503	100.0
196.06876	2.2
198.05208	5.6
198.06610	0.3
213.05423	0.9
213.07478	0.7
213.09267	1.9
213.12683	0.3
213.16290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03932	4.0
55.01857	11.3
55.05505	27.1
56.96540	2.8
57.03419	10.6
57.07079	3.0
59.04986	2.4
65.03944	3.1
67.05150	3.6
67.05495	55.6
67.61423	2.0
69.03404	7.2
69.07061	24.0
69.20815	1.8
71.04969	9.3
71.58503	3.8
79.05480	39.8
81.02956	3.2
81.03407	41.7
81.07043	100.0
82.06577	1.9
83.04970	32.1
83.08599	19.2
85.02892	3.5
85.06519	6.1
91.05472	60.9
93.07034	26.3
95.04951	25.6
95.08591	33.7
97.02902	3.8
97.06510	14.2
97.10158	5.6
99.08048	5.2
103.05457	2.1
105.07015	48.7
107.04943	7.1
107.08572	16.6
109.06505	14.4
109.10148	19.6
111.08063	8.1
113.06041	2.3
117.06982	3.5
119.08553	45.1
121.06491	3.3
121.10136	17.2
123.04432	3.8
123.08047	8.8
123.11687	28.9
125.06002	2.6
125.09566	3.1
129.06964	14.9
131.08554	11.4
133.06465	2.7
133.10110	34.0
134.75865	2.1
135.11696	6.9
136.05226	1.9
137.05923	5.2
137.09599	6.9
141.05627	2.4
141.06953	4.3
142.07735	4.0
145.10147	3.3
147.08060	2.3
147.11670	62.8
149.09589	5.9
149.13246	3.5
151.07549	11.7
151.11143	21.6
151.14809	2.2
153.05434	3.9
153.06947	3.0
155.07018	2.9
155.08501	8.3
157.10101	17.2
165.05551	2.1
165.07004	7.0
165.12712	12.9
167.07053	20.7
167.08421	4.4
168.07838	4.5
168.09201	2.3
169.10115	8.5
175.11139	20.9
175.14735	3.9
179.07004	8.0
181.06479	3.5
181.10081	5.2
183.06601	3.1
183.08043	8.3
183.11627	3.8
193.04958	3.6
193.12204	21.9
193.15782	4.2
196.08800	2.7
196.12419	5.7
197.94540	1.9
211.05914	3.4
211.07634	20.2
211.09456	3.2
211.11192	8.0
211.13239	12.3
211.15077	11.2
211.16727	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03923	5.0
55.01863	7.2
55.05502	42.8
56.96542	1.6
57.03423	9.5
57.07059	2.1
59.04985	1.3
65.03928	1.8
67.05489	34.6
67.93244	0.9
69.03414	10.5
69.07056	9.8
69.46237	8.3
71.04977	6.1
79.05476	34.1
81.03403	100.0
81.07043	40.8
83.04967	45.1
83.05390	0.6
83.05487	1.1
83.08108	2.1
83.08604	30.8
85.02885	2.3
85.06509	3.0
90.69666	0.9
91.05465	35.9
93.07031	18.1
95.04951	40.5
95.08591	14.4
97.02852	3.0
97.06512	7.5
97.10157	7.9
99.04411	1.3
99.08045	2.6
105.07013	24.8
105.07720	1.4
107.04939	7.4
107.08567	7.6
109.06499	8.6
109.10133	3.7
111.04397	2.9
111.08063	9.5
113.05959	1.5
113.61323	1.0
115.05397	1.3
117.07050	1.6
118.25851	0.9
119.04913	1.6
119.08561	17.5
121.06486	2.7
121.10116	7.8
123.04423	1.6
123.08055	5.0
123.11723	1.5
125.05959	1.4
125.09580	2.0
128.06178	1.8
129.06979	13.6
131.08546	12.8
133.06448	3.3
133.10120	13.1
133.78316	0.9
135.08055	2.3
135.11650	1.5
135.57298	1.1
137.09573	3.1
139.07533	1.2
141.06940	1.7
142.07771	3.9
143.08585	1.1
145.10045	1.5
147.08029	4.3
147.11670	16.0
149.09587	6.6
151.07495	3.5
151.11121	2.2
153.05426	1.7
155.08463	2.8
157.10107	16.6
165.05428	1.4
165.12701	2.8
167.06985	1.4
167.08467	2.2
168.07828	2.0
168.09247	1.6
169.10074	3.7
170.65910	0.9
175.11148	17.4
179.06973	2.1
181.04884	1.3
181.10056	1.8
183.06467	1.8
183.11610	2.7
193.10388	2.1
193.12198	30.5
194.12547	1.1
196.12479	1.5
211.07500	2.9
211.09343	1.7
211.11172	2.7
211.13220	13.7
211.14870	3.9
232.14449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02350	1.1
53.03942	6.3
55.01861	4.9
55.05502	39.7
57.03428	9.7
59.04982	2.0
59.25771	1.1
61.19447	1.1
65.03936	2.0
65.73286	1.1
67.05500	27.8
69.03429	8.4
69.07059	9.3
69.90200	6.7
69.90613	1.1
71.04992	6.3
79.05482	31.2
81.03408	100.0
81.06553	1.8
81.07044	34.9
83.04971	41.3
83.08608	33.1
85.06534	1.8
91.04928	2.3
91.05470	31.8
93.07034	16.3
95.04960	32.5
95.08595	12.3
97.02880	2.7
97.06503	3.7
97.10161	8.5
99.08111	1.6
105.07010	22.6
107.04940	7.8
107.08555	9.7
109.06488	4.7
109.10139	2.8
111.04401	2.6
111.08064	11.4
115.05432	1.6
117.06967	2.1
119.08565	18.0
121.06470	1.2
121.10138	8.4
123.08006	2.1
125.09623	2.8
129.06999	10.4
130.72154	1.1
131.08565	11.3
133.06485	3.2
133.10103	13.3
133.40488	1.3
135.11816	1.3
137.09581	2.1
142.07790	2.2
145.10075	1.7
147.08029	2.3
147.11688	15.6
149.09610	5.0
151.07483	1.3
157.10100	15.9
165.12709	3.6
167.06990	4.3
175.11150	14.0
182.10852	1.3
193.12222	32.9
196.12521	1.2
211.07372	1.2
211.11310	2.1
211.13220	15.7
211.14940	2.1
231.61096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.01858	2.5
55.05503	12.5
55.22795	0.5
57.03428	3.1
57.07068	4.4
58.38841	0.5
59.04987	1.3
65.03916	1.1
67.05141	1.0
67.05494	16.5
69.03421	2.9
69.07057	21.8
70.25008	2.4
71.04984	7.2
71.83566	0.6
72.96992	0.5
77.03892	0.6
79.05479	15.5
81.02955	0.7
81.03409	10.5
81.07046	27.0
82.07375	0.7
83.04517	1.0
83.04973	13.4
83.08608	6.0
85.02878	0.6
85.06528	8.4
91.05468	29.4
91.06042	1.4
93.07030	26.4
95.04331	1.0
95.04951	17.6
95.08594	11.1
97.02882	1.0
97.06522	3.6
97.10136	1.8
99.04443	3.7
99.08105	2.9
103.05512	1.0
105.03430	0.6
105.07014	31.0
106.07374	0.6
107.04932	2.7
107.08578	13.7
107.09261	1.1
109.06503	25.2
109.10136	13.5
111.04440	0.9
111.08067	2.9
113.05997	2.3
113.09668	0.8
115.07555	0.9
119.04932	0.8
119.08564	14.1
121.06490	2.2
121.10138	5.1
122.89009	0.6
123.04426	2.7
123.08062	4.1
123.11691	4.1
125.05986	2.3
125.09644	2.0
127.07581	2.5
129.07016	1.9
131.08543	8.4
133.02829	1.4
133.10110	100.0
134.10439	1.5
135.04404	0.6
135.07988	0.9
135.11658	5.5
136.05135	0.7
137.05956	11.0
137.09557	3.9
139.07477	0.8
141.05434	1.3
143.07005	1.0
147.08008	2.0
147.11664	22.7
149.05963	0.9
149.09607	3.2
151.03964	0.7
151.07524	8.8
151.11160	55.9
152.11568	1.1
153.05435	1.9
153.06837	0.9
155.07004	15.8
155.08305	1.1
155.10637	1.9
157.10074	2.6
163.14859	0.6
165.05434	1.4
165.06966	1.2
165.09048	0.7
165.12737	6.0
165.16484	0.8
166.06232	0.8
167.07039	7.0
168.07809	2.8
169.05124	0.6
169.08620	1.3
169.10049	0.7
175.11168	10.1
175.14781	5.0
179.07025	3.6
181.05014	1.0
181.08655	1.4
183.06502	0.8
183.08022	1.1
183.11674	0.9
193.04948	1.4
193.08482	0.8
193.12212	23.7
193.15874	2.7
196.08885	0.6
211.05867	0.6
211.07556	2.4
211.09428	1.0
211.11304	1.2
211.13235	15.9
211.16731	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03926	4.6
53.50612	0.9
55.01860	6.0
55.05504	43.0
57.03428	7.2
57.07058	1.4
59.04990	2.1
65.03902	0.9
67.05496	26.0
69.03418	11.3
69.07066	11.0
71.05002	4.7
72.94473	0.9
74.27226	0.9
79.05483	32.2
80.51382	0.9
81.03408	100.0
81.07047	37.5
83.04971	53.8
83.05490	1.6
83.08610	32.3
85.01691	1.0
85.02918	1.1
85.06541	2.8
91.05471	35.1
93.07030	15.9
95.04958	34.0
95.08598	13.9
97.02866	3.7
97.06522	4.1
97.10170	8.9
99.04465	1.3
99.08089	2.6
104.37939	1.0
105.07021	25.2
107.04955	6.0
107.08588	7.5
109.06516	6.6
109.10155	3.9
111.04433	2.7
111.08073	11.0
115.05473	1.6
119.08562	21.1
121.06496	2.6
121.10129	8.2
123.08047	3.7
123.11712	1.2
125.09644	2.0
129.07002	12.5
131.08563	12.0
133.06468	2.8
133.10115	12.0
135.11673	2.8
137.09602	3.8
142.07799	2.8
145.10162	1.4
147.08038	3.2
147.11673	15.4
148.07487	1.0
149.09543	5.3
155.08543	1.7
157.10120	15.9
165.06969	2.0
165.12721	3.4
167.07068	5.3
175.11169	17.1
175.14777	1.1
183.08060	1.2
193.12230	36.5
193.14017	2.2
211.07555	8.3
211.13242	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03930	6.3
54.54530	1.4
55.01860	8.0
55.05502	42.4
56.96541	2.8
57.03423	10.9
57.07070	2.6
57.33415	1.3
59.04984	2.2
59.42972	1.2
65.03913	3.9
67.05144	2.3
67.05492	37.1
69.03411	11.8
69.07047	12.4
71.04979	6.3
71.60251	3.1
79.05479	35.5
81.03402	100.0
81.07038	44.1
83.04965	48.9
83.08605	32.4
85.02890	1.8
85.06544	3.8
91.05462	38.1
93.07023	21.0
93.10841	1.2
95.04950	38.2
95.08590	20.8
97.02884	4.3
97.06513	4.7
97.10136	8.0
99.04453	1.6
99.08094	3.4
105.07009	25.3
107.04944	6.7
107.08573	13.6
109.06506	9.9
109.10135	12.0
110.01260	1.3
111.04445	4.2
111.08050	11.1
115.05446	2.4
116.51965	1.4
117.07008	1.9
119.04915	1.5
119.08564	21.0
121.06487	5.2
121.10140	11.6
123.04402	5.5
123.08051	6.4
123.11719	3.7
125.02191	1.4
125.05978	1.9
125.09572	3.7
129.06985	14.7
131.08533	12.4
133.06485	3.7
133.10100	15.7
135.11685	3.2
137.05988	2.0
137.09607	4.4
139.07524	1.7
141.06976	4.0
142.07759	5.0
147.08014	2.2
147.11659	14.1
149.09589	9.6
151.07489	9.8
151.11134	2.0
153.05424	2.8
153.07018	2.2
154.06200	1.8
155.08542	8.2
157.10106	15.2
165.05629	1.4
165.06973	5.8
165.09125	1.9
165.12695	2.6
167.07019	11.5
167.08429	2.4
168.05641	1.8
168.07860	4.0
168.09309	2.7
169.10130	6.3
175.11136	15.2
175.14778	2.4
178.07602	1.4
179.07005	6.1
181.10112	5.8
182.10782	1.7
183.06589	2.7
183.08052	9.4
183.11687	5.2
193.10376	2.2
193.12209	32.6
193.15901	1.6
196.08939	2.2
196.12436	3.8
211.05835	3.4
211.07556	18.1
211.11108	5.6
211.13229	13.5
211.15080	10.5
211.16771	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	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03930	1.7
55.01856	1.0
55.05499	5.7
57.03414	2.7
57.07050	1.5
59.04974	1.5
65.03912	1.1
67.05489	5.8
69.03407	2.4
69.07056	3.8
69.25360	4.8
69.25791	2.2
71.04978	3.6
71.08612	0.8
71.98669	0.6
77.03871	0.7
78.04688	0.6
79.05483	7.4
81.03405	8.9
81.07042	8.4
83.04974	5.9
83.08595	3.5
85.06521	1.4
91.05468	8.1
93.07030	5.7
95.04961	5.3
95.08590	6.4
96.08940	0.7
97.02883	1.1
97.06499	2.0
97.10141	0.7
98.20660	1.4
99.04480	0.7
99.08047	1.2
105.04523	0.9
105.07004	4.3
107.04936	3.6
107.08577	4.9
108.05759	0.9
109.02854	3.9
109.06538	3.1
109.10135	8.1
110.03626	1.5
111.04420	2.0
111.08056	2.2
119.08582	5.6
121.02837	0.8
121.06496	1.7
121.10110	2.6
123.04395	2.4
123.08050	2.6
123.11678	4.6
124.05174	0.8
125.02301	1.1
125.05975	6.4
125.09597	3.7
129.06952	0.8
131.08513	1.8
133.06421	0.7
133.10118	5.3
135.04381	3.1
135.11674	5.8
136.05180	4.3
136.78842	0.6
137.05933	2.5
137.09570	2.1
139.03819	1.2
139.07512	5.3
147.04454	0.8
147.08002	1.1
147.11639	2.7
148.05170	1.3
149.05951	1.0
149.09570	1.3
149.13190	0.9
150.06735	10.4
151.03894	1.4
151.06386	1.3
151.07521	19.5
151.11182	1.8
152.08229	0.8
153.05499	4.0
153.06645	0.9
153.08984	1.2
155.08546	1.7
155.10654	0.7
157.10098	2.1
165.05504	3.0
165.06818	0.9
165.12769	0.9
167.03337	0.9
167.07021	14.2
167.08357	0.6
167.10649	1.0
168.07706	2.2
168.09200	1.4
175.11169	1.3
175.14784	4.9
178.06226	2.6
179.07014	8.2
181.04939	21.6
181.08563	13.8
181.10115	1.6
183.06572	0.8
183.11644	1.4
193.08479	0.9
193.10353	0.7
193.12190	3.2
193.15822	1.9
195.06429	1.9
196.07271	15.2
196.08783	0.7
211.09605	100.0
211.14902	2.0
211.16959	2.5
212.09956	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	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60719	15.6
71.65682	20.9
72.21811	15.4
73.02898	29.5
94.92981	39.8
98.97598	23.4
142.03416	29.5
152.38727	20.9
159.44678	17.5
160.04538	22.3
183.06133	19.8
210.94011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30402	0.2
53.03910	0.3
54.23159	0.2
54.66589	0.2
55.01862	0.5
55.05497	0.5
56.11433	0.3
56.96560	1.7
57.03404	0.4
62.06061	0.6
67.05492	0.5
68.05031	0.3
69.03432	0.6
69.07060	0.3
70.02924	0.3
70.06548	0.3
70.12988	1.3
71.04971	0.3
72.04513	1.4
72.08182	0.3
73.02887	0.4
74.06052	0.3
79.05484	2.6
81.07041	0.5
83.04951	0.5
84.04458	0.3
84.08121	0.4
85.02869	0.3
91.04932	0.4
91.05467	5.0
91.05984	0.5
93.07036	1.3
95.01322	0.6
95.04955	1.1
95.08624	0.3
96.04464	0.3
97.02856	0.6
98.97598	0.4
103.05453	6.0
105.06355	0.5
105.07023	7.3
106.07336	0.3
107.04950	2.7
107.08570	0.3
109.06501	0.3
109.07648	0.3
109.10158	0.4
115.05428	0.4
116.98592	0.8
117.05750	1.4
117.07011	2.9
118.05025	0.5
118.06524	3.6
119.04934	0.6
119.07307	6.8
119.08610	0.7
120.08099	9.3
121.06471	1.1
123.04437	0.4
124.07519	0.3
125.05991	0.3
128.06209	1.4
129.06993	5.8
130.06483	0.6
131.04918	1.6
131.07289	1.7
133.17613	0.2
134.99593	0.5
136.07529	0.7
137.05977	0.4
143.00204	0.4
144.08038	1.3
146.09625	7.1
146.10718	0.5
146.99580	0.3
147.03297	0.3
147.04359	1.5
148.04770	0.3
149.05983	0.6
151.07544	1.2
153.05429	0.7
161.01199	0.6
164.10690	100.0
165.11040	1.7
167.07008	0.5
168.07863	0.3
177.00612	0.3
179.07011	0.3
192.06482	0.4
192.10185	0.8
205.98769	0.3
210.04803	0.4
210.07903	0.5
210.11230	12.4
210.15388	0.4
211.05917	0.3
211.11545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05495	0.9
56.96566	2.4
57.03420	0.5
62.06080	0.5
67.05507	0.6
68.05034	0.5
69.03422	0.8
69.04539	0.3
69.07062	0.3
69.63400	0.3
70.06612	0.4
70.15504	1.5
72.04517	1.6
72.08151	0.3
72.93805	0.4
74.06087	0.3
79.05470	2.5
80.05006	0.4
81.07036	0.6
83.04961	0.5
84.08137	0.7
85.02885	0.7
91.05471	5.3
91.06030	0.4
93.07018	1.3
94.06550	0.3
94.07368	0.4
95.01304	0.9
95.04964	0.7
95.08589	0.4
97.02873	0.7
97.06484	0.3
98.97589	1.0
103.05458	6.2
105.07025	8.7
107.04961	3.0
107.08628	0.3
109.02898	0.4
109.06519	0.7
110.06055	0.4
115.05458	0.5
116.98602	0.8
117.05756	1.4
117.07002	3.5
118.06533	3.9
119.01821	0.4
119.04930	0.8
119.07313	6.4
119.08588	1.0
120.08096	8.5
121.06475	1.3
122.06011	0.4
122.11694	0.5
123.04440	0.6
128.06198	1.0
129.06995	5.6
130.06528	0.8
131.04942	2.3
131.07277	1.9
134.99617	0.4
135.04326	0.4
136.07513	0.5
136.26125	0.3
137.05939	0.7
144.08049	0.8
146.09633	7.5
147.04376	2.2
151.07542	1.1
153.00583	0.4
158.99721	0.5
161.01213	1.1
163.97743	0.4
164.10695	100.0
165.11055	2.0
167.07010	0.5
177.00731	0.3
178.05826	0.3
179.07030	0.5
192.06514	0.6
192.10141	0.5
192.66364	0.4
193.04974	0.4
195.45732	0.3
205.03578	0.4
205.98750	0.7
210.07767	0.9
210.11226	11.3
210.15556	0.9
211.05948	0.3
211.14735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.7
55.01852	2.0
55.05497	11.3
57.03427	2.9
57.07053	3.6
59.04979	3.4
62.34261	0.9
65.03935	2.0
67.05491	12.4
69.03415	6.9
69.07054	8.3
69.36176	5.3
69.36605	4.5
71.04979	7.6
79.05483	17.9
81.03392	1.5
81.07043	36.7
83.02163	1.2
83.04971	10.6
83.08602	9.2
84.10336	1.0
85.06525	3.8
91.05464	12.7
93.03371	1.3
93.07029	17.9
95.04954	40.4
95.08585	10.8
97.06516	18.8
97.46122	1.0
97.73312	0.9
99.04438	7.2
99.08095	2.4
103.05455	2.5
105.07011	16.4
106.04150	3.4
107.04955	1.9
107.08578	23.8
109.06503	100.0
109.10136	24.8
111.08050	7.2
113.09655	1.1
115.05402	1.1
115.46609	1.1
117.03325	1.0
117.07009	2.0
119.04955	1.1
119.08574	6.3
121.06499	8.0
121.10117	29.0
123.08049	7.3
123.11678	5.0
125.06045	1.6
125.09639	5.7
129.07042	1.3
129.25018	0.9
130.07756	1.1
131.04947	0.9
131.08551	12.4
133.10109	37.8
135.08029	14.1
135.11656	3.8
137.09602	2.1
139.11110	1.6
143.08542	2.1
145.10106	6.4
146.11069	0.9
147.11665	7.7
148.05225	2.1
149.05978	5.8
149.09607	6.2
149.13243	8.3
151.11194	10.2
153.09082	25.8
154.09273	1.3
158.10878	3.6
163.03883	1.4
163.11195	2.9
163.14809	7.4
165.12733	6.7
166.07709	1.1
167.14304	9.0
173.13226	19.6
177.05423	2.8
181.08559	1.2
181.09999	1.4
181.15797	1.1
191.06888	1.5
191.14272	31.4
191.15988	1.8
194.07307	1.6
209.04486	2.5
209.07909	2.4
209.09601	4.4
209.15343	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.48024	1.8
53.03944	5.0
53.11347	1.8
55.01852	5.5
55.05507	66.7
57.03428	3.1
57.07053	8.0
59.04991	5.9
60.17204	2.1
60.66492	2.1
65.03931	1.8
67.05506	15.0
69.03434	12.0
69.07074	10.3
71.03081	4.6
71.04980	9.2
72.64208	1.8
73.80780	1.8
79.05486	18.1
81.07046	21.9
81.49986	2.0
83.04974	100.0
83.08607	24.8
85.06532	2.8
91.05479	14.7
93.07038	22.6
95.04960	48.6
95.08599	13.7
97.06522	12.4
97.10160	6.1
99.04446	8.2
99.08089	2.1
105.07007	14.8
106.04161	2.5
107.04947	3.9
107.08589	39.3
109.06503	78.3
109.10149	22.4
111.08082	11.5
117.07076	2.1
117.89606	2.2
119.08556	6.6
121.02840	2.0
121.06493	11.0
121.10125	28.2
123.08031	9.5
123.11694	10.5
125.05972	3.4
125.09631	13.0
131.08562	22.0
133.10118	17.4
135.08032	11.5
135.11702	5.7
136.05167	2.6
139.07567	2.9
143.08572	2.1
145.10130	11.4
147.11661	4.7
149.05959	5.3
149.09619	16.0
149.13243	16.4
151.07527	4.7
151.11186	24.9
152.04688	2.3
153.05455	3.6
153.09103	14.0
158.10825	2.6
163.11125	6.5
163.14838	3.3
166.06224	2.9
167.07082	7.7
167.14299	50.7
173.13248	10.4
178.06203	3.1
181.08571	4.0
191.10629	5.3
191.14279	20.9
209.04457	3.1
209.07906	2.4
209.09953	2.3
209.11768	8.9
209.15353	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.39156	0.8
53.03929	1.4
54.86033	0.9
55.01849	3.6
55.05242	1.2
55.05503	20.4
57.03415	1.8
57.07064	6.5
59.04987	1.4
61.72281	0.8
65.03923	1.8
67.05494	6.6
69.03426	4.4
69.07062	4.5
69.79949	6.5
71.04966	4.1
78.04686	1.6
79.05482	7.0
81.07046	10.5
83.04970	29.4
83.08611	11.2
83.82859	0.9
85.06519	2.2
91.05469	8.4
93.03381	1.4
93.07021	7.7
95.04958	12.4
95.08590	8.4
95.66643	0.9
97.06510	3.5
97.10160	2.1
98.20740	1.1
99.04445	2.0
99.08091	1.0
103.05401	2.2
105.07026	6.1
106.04169	4.4
107.04939	2.0
107.08586	12.7
109.06503	100.0
109.10139	14.2
111.04388	1.0
111.08060	3.9
119.08554	2.4
121.06519	7.5
121.10123	6.3
123.04391	1.1
123.08055	9.7
123.11693	4.1
125.05984	1.5
125.09598	4.2
131.04929	2.3
131.08560	4.5
133.02763	0.9
133.10109	4.7
135.08038	19.8
135.11661	1.3
137.05997	1.0
139.86911	1.0
145.10081	2.7
147.11697	1.5
149.05984	5.7
149.09630	5.1
149.13211	3.3
149.17096	0.9
150.10341	1.1
151.11159	13.4
153.09082	9.8
158.10930	1.3
163.11212	1.7
163.14857	1.5
165.12848	1.1
166.07674	1.3
167.14291	18.5
170.69383	1.0
173.13255	5.7
177.05446	4.1
181.08658	1.2
191.06856	1.0
191.14279	22.3
200.98024	1.1
208.88435	0.9
209.04318	2.9
209.07974	3.3
209.09760	1.8
209.15323	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00277	0.8
53.03923	2.8
54.28374	0.8
55.01863	6.6
55.05502	15.5
57.03414	4.4
57.07048	3.0
59.04969	1.4
60.16865	0.8
61.02881	1.1
65.03918	3.1
67.05151	1.0
67.05492	15.8
68.99793	1.0
69.03416	100.0
69.07054	17.6
71.04984	13.9
71.30122	2.1
71.51469	0.8
72.18606	0.9
74.63232	0.8
75.04443	0.9
78.01601	0.8
79.05480	39.4
81.03385	3.2
81.07043	39.5
83.04518	1.4
83.04965	17.1
83.08607	4.9
85.02876	2.8
85.06539	4.8
91.05466	27.2
91.06030	1.7
93.03381	2.9
93.07027	40.8
95.04948	21.4
95.08591	13.4
97.06519	12.5
97.10151	1.5
99.04441	6.0
99.08056	1.1
103.05417	3.6
105.03419	1.2
105.07009	23.5
106.04160	8.0
107.04256	1.0
107.04935	16.8
107.08577	55.3
109.06499	44.1
109.10136	10.2
111.04421	2.5
111.08041	3.9
113.06023	1.2
116.06213	1.6
117.03325	1.1
117.07012	4.8
117.55656	0.8
119.04908	1.5
119.08561	12.5
121.02879	1.1
121.06489	25.6
121.10122	37.6
123.04379	1.5
123.08055	7.4
123.11684	12.1
125.05949	7.4
125.09618	5.9
127.07497	2.7
129.06975	2.1
130.07767	1.7
131.04900	1.4
131.08543	57.2
132.08875	1.7
133.10097	14.4
134.03615	1.1
135.04381	3.0
135.08047	12.8
135.11649	9.9
137.05972	2.1
137.09575	2.4
138.06689	1.7
139.07532	2.0
139.11180	1.0
143.08508	2.0
145.02744	1.2
145.06520	1.0
145.10100	24.6
146.10378	1.3
147.04378	3.0
147.08041	2.3
147.11632	6.0
148.05179	0.9
149.05978	12.3
149.09596	48.5
149.13199	8.9
151.03893	1.2
151.07471	2.3
151.11150	5.9
153.05453	6.9
153.09055	10.0
158.10852	2.0
161.13196	2.3
163.03862	1.9
163.07495	2.7
163.11140	18.0
163.14796	7.9
165.09061	2.4
165.12724	1.5
166.00793	1.2
167.07018	4.2
167.10622	3.1
167.14268	3.6
173.09558	2.2
173.13235	12.6
174.92944	1.0
177.05441	6.4
179.14160	0.9
181.04910	1.6
181.08600	2.5
183.44035	0.9
191.06909	1.2
191.10632	19.2
191.14288	22.2
194.00320	3.2
194.05710	1.4
209.02661	2.4
209.04373	2.2
209.06142	1.5
209.07994	5.9
209.09814	1.5
209.11726	29.0
209.15320	60.4
210.15602	1.4
214.55229	1.0
216.77583	0.9
222.45384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.9
55.01608	0.8
55.01865	19.6
55.05505	46.7
57.03431	6.9
57.07074	5.4
59.04987	2.0
65.03928	6.9
67.05495	49.9
68.05824	1.2
69.03421	12.7
69.07056	23.9
70.96423	0.9
70.96825	3.2
71.04987	11.5
73.02898	3.1
75.04470	2.2
77.03900	1.3
78.04691	2.2
78.25446	0.9
79.05483	71.6
80.05807	1.1
80.06271	1.1
81.03418	10.6
81.07043	58.8
82.07341	1.3
83.04968	30.2
83.08607	22.0
83.22094	0.9
85.02880	4.6
85.06525	3.1
86.79897	0.9
89.03886	1.7
91.05464	36.7
93.03398	5.7
93.07030	95.4
94.07349	1.4
95.04334	2.1
95.04954	49.7
95.08593	100.0
96.05268	1.1
96.08881	1.4
97.02876	7.8
97.06509	13.6
97.10126	4.8
99.04446	13.5
99.08064	1.8
103.05441	8.0
105.04489	1.8
105.07018	23.0
106.04147	13.5
107.04940	26.3
107.08577	72.2
109.05752	1.7
109.06499	32.3
109.10130	12.8
111.04456	4.8
111.08083	6.5
113.05996	1.9
115.05410	2.5
116.06249	1.2
117.03393	1.7
117.06166	1.4
117.06999	22.7
119.04888	1.5
119.06108	1.1
119.08558	18.6
121.06493	28.4
121.10128	29.9
123.04404	1.3
123.08074	7.7
123.11684	4.9
125.06003	8.3
125.09604	9.7
127.07508	1.5
129.06981	2.3
130.07729	5.1
131.04912	3.0
131.08548	5.4
133.06509	1.6
133.10112	9.9
134.03633	2.1
135.04425	1.7
135.08046	14.3
135.11671	66.6
136.11977	1.3
137.05920	2.3
137.09572	2.1
138.06763	1.0
139.07529	3.6
139.11174	1.8
143.08498	3.3
145.02785	2.1
145.10104	46.0
147.08029	1.2
147.11664	3.2
148.05127	2.2
149.05959	16.7
149.09602	7.1
149.13246	10.1
151.07562	1.1
151.11163	22.3
152.06148	1.1
153.05435	2.4
153.09090	12.2
158.10893	1.9
163.03862	1.5
163.07515	1.9
163.11159	49.5
163.14798	3.2
165.12720	14.3
166.07741	1.2
167.14287	16.2
173.09499	2.2
173.13243	7.1
177.05493	8.2
181.04935	1.2
181.08553	2.8
181.12154	2.5
191.07014	2.0
191.10707	2.0
191.14279	19.2
194.05693	1.2
197.31848	1.1
209.04434	2.1
209.08109	6.7
209.09703	1.8
209.11726	3.0
209.13419	1.8
209.15318	29.8
227.12694	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.9
55.01866	5.6
55.05506	25.7
56.05839	0.3
57.03427	1.0
57.07070	3.0
57.72108	0.2
59.05000	0.8
59.09332	0.3
65.03944	0.6
67.05499	14.9
69.03424	1.5
69.07059	4.4
71.04986	1.3
71.08620	0.3
71.15168	0.6
79.05484	12.5
81.03415	0.6
81.07049	19.0
83.04972	100.0
83.08609	3.8
84.05282	1.2
85.06538	2.1
86.90569	0.2
89.03902	0.2
91.05467	6.6
93.07035	22.7
94.07355	0.3
95.04964	2.3
95.08595	16.3
97.06505	1.8
97.10159	2.1
99.04464	0.3
99.08084	1.0
99.75247	0.3
101.05985	0.3
103.05461	0.4
105.07017	2.9
107.04931	0.7
107.08582	17.1
109.06499	3.2
109.10149	5.7
111.04436	0.9
111.08064	7.0
113.05988	0.4
114.38640	0.3
115.05462	0.3
117.07003	1.3
117.61141	0.3
119.08569	1.7
119.91108	0.2
121.06478	1.9
121.10136	8.3
123.08041	0.8
123.11691	1.1
125.05963	0.5
125.09623	1.9
127.07512	0.4
131.08559	3.4
133.10127	1.6
135.04446	0.4
135.08037	3.8
135.11688	2.3
137.09592	0.6
139.07477	0.5
145.02864	0.3
145.10103	1.2
147.11658	1.4
149.05934	0.3
149.09625	2.4
149.13255	7.9
151.07465	0.5
151.11171	0.6
153.07048	0.3
153.09137	1.2
163.07600	0.3
163.11111	0.6
163.14810	7.2
165.06865	0.4
165.12730	0.5
166.07733	0.5
167.08485	0.3
167.14297	0.6
173.13228	3.0
177.05420	0.8
179.08575	0.6
181.04852	0.4
181.10066	0.5
181.15846	0.9
191.10658	0.4
191.14302	4.7
194.10864	0.5
198.30795	0.3
198.69720	0.3
200.71541	0.3
203.96910	0.3
209.04399	1.1
209.06201	0.3
209.07832	0.4
209.09547	0.7
209.11569	0.7
209.13242	0.8
209.15324	9.9
217.36490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.60694	0.8
53.03938	2.6
55.01872	6.2
55.02077	1.0
55.05506	7.7
57.03423	2.9
57.07055	3.2
65.03915	2.3
67.05498	21.0
69.03424	37.6
69.07058	14.8
69.83543	3.5
69.83981	3.0
71.04983	18.2
79.05486	43.3
81.03425	1.8
81.07049	14.1
83.04969	17.8
83.08595	6.3
85.06529	6.3
91.04927	1.6
91.05472	29.3
93.03400	1.3
93.07035	31.8
95.04965	18.7
95.08607	4.9
97.06527	8.6
98.06886	1.1
99.04446	2.2
99.89053	0.9
103.05450	3.1
105.03360	0.9
105.04504	1.0
105.07024	26.7
106.04156	2.5
107.04278	0.7
107.04939	28.7
107.08583	53.7
109.06503	12.6
109.10157	3.4
111.04443	8.0
111.08057	3.5
113.05970	2.1
115.05453	1.3
116.06254	1.4
117.07010	8.7
119.08575	15.1
121.06497	29.4
121.10135	34.7
123.04438	4.6
123.08060	4.8
123.11687	3.8
125.05989	12.1
125.09617	18.9
126.92659	1.0
128.06195	1.3
129.06982	6.6
130.07768	3.0
131.04895	2.3
131.08556	86.1
132.08867	1.4
133.06520	1.6
133.10135	4.9
135.04366	2.8
135.08038	8.6
135.11665	9.7
137.05916	2.3
137.09641	1.6
139.07547	1.8
141.05424	1.3
143.08525	1.2
145.06462	2.6
145.10117	40.7
147.08046	8.0
147.11646	3.6
149.05989	6.6
149.09604	100.0
149.13251	3.9
150.10028	1.8
151.07487	1.4
151.11133	2.2
153.05472	7.3
153.09109	6.2
155.07001	1.9
155.08553	1.8
163.07510	8.3
163.11163	36.4
163.14815	3.0
165.09122	17.7
165.12737	3.4
167.07034	4.3
167.10645	15.8
167.14331	4.4
173.09621	8.9
173.13193	6.5
177.05507	2.9
179.06960	1.0
191.10657	55.0
191.14270	27.5
192.10977	1.3
194.02054	1.2
209.04631	1.9
209.08044	4.6
209.11720	69.5
209.15289	29.8
209.18535	1.1
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
51.02363	1.0
52.60065	0.9
53.03942	4.8
55.01859	9.5
55.05500	18.1
56.96543	1.6
57.03423	5.2
57.07047	3.7
59.04982	1.1
63.86937	0.8
65.03922	4.2
65.45026	0.9
67.05491	16.1
69.03417	21.7
69.07055	22.8
71.04980	24.3
79.05479	49.8
81.03392	2.5
81.06602	1.5
81.07040	18.2
83.04964	24.8
83.08601	6.6
85.02866	2.1
85.06543	2.0
91.05462	38.5
91.06035	2.2
93.03391	3.0
93.07026	54.5
94.07329	1.0
95.04952	26.5
95.08591	8.6
97.02902	1.1
97.06509	15.0
97.10114	2.0
99.04441	3.9
99.08081	1.0
103.05446	5.3
104.92857	0.9
105.03426	1.2
105.04524	1.3
105.07008	32.9
106.04172	5.5
107.04932	24.0
107.08575	63.4
108.08961	1.1
109.05735	1.5
109.06490	22.5
109.10139	8.1
111.04388	4.9
111.08058	4.2
115.05402	1.8
116.06223	2.6
117.06988	10.4
119.04916	5.8
119.08548	10.9
120.05685	1.3
121.06489	47.1
121.10126	39.0
123.04406	2.3
123.08042	7.7
123.11672	3.9
124.99077	1.8
125.05970	11.9
125.09604	4.2
129.06976	4.5
130.07755	3.6
131.04883	2.9
131.08543	100.0
132.08844	1.9
133.06421	1.2
133.09363	0.8
133.10114	8.9
134.03563	2.5
135.04395	4.4
135.08014	7.2
135.11682	9.5
137.05922	3.3
137.09601	2.3
139.07536	4.5
139.11108	1.9
141.05417	3.0
143.00128	2.7
143.08519	2.0
145.10098	40.5
146.10461	1.0
147.04388	12.2
147.07996	4.5
147.11682	4.4
148.05170	5.8
149.05969	15.0
149.09590	77.6
149.13245	3.7
150.09998	1.8
151.07492	3.0
151.11134	7.6
153.05429	10.8
153.09041	7.3
153.72455	0.9
155.07019	1.4
161.01215	2.4
163.03868	2.1
163.07495	2.3
163.11151	29.9
163.14752	2.6
165.09085	4.0
165.12779	2.6
167.07004	7.7
167.10649	3.1
167.14311	6.9
173.09592	5.1
173.13235	5.6
176.04684	1.4
177.05496	6.5
181.08524	1.8
181.12241	1.2
185.01245	1.3
191.06950	1.6
191.10634	33.6
191.14259	10.9
194.00354	1.7
194.02008	1.5
194.05696	4.0
203.02184	1.1
209.02621	2.2
209.04327	2.1
209.06133	1.0
209.08069	14.0
209.11696	48.3
209.15306	20.7
210.11815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03926	3.1
55.01868	8.3
55.05284	1.0
55.05509	14.6
57.03428	4.5
57.04052	0.8
57.07063	2.1
60.31348	0.9
65.03915	4.4
67.05492	12.4
68.50427	0.8
69.03052	1.8
69.03420	36.2
69.07056	22.4
69.62226	5.5
69.62641	1.8
71.04984	25.2
75.04472	2.1
77.03873	1.0
78.04699	1.3
79.05485	48.1
81.03397	2.4
81.07050	19.8
83.04511	1.5
83.04971	18.5
83.08608	5.3
85.02879	1.7
85.06519	3.9
91.05465	35.2
93.03403	4.7
93.07031	51.4
95.04340	0.9
95.04957	17.8
95.08599	6.2
97.06513	12.3
99.04426	2.3
99.40130	0.9
103.05461	4.8
105.04518	1.2
105.07015	34.2
106.04164	11.8
107.04256	1.3
107.04945	23.9
107.08582	66.1
109.06500	14.2
109.10154	3.9
111.04432	4.6
111.08044	3.3
113.05991	1.0
116.06207	2.0
117.03344	1.1
117.07005	8.1
119.04922	2.3
119.08551	12.7
120.05738	1.3
121.06494	47.4
121.10122	37.0
122.06808	1.2
123.04390	3.6
123.08068	7.2
123.11651	5.3
125.05972	12.4
125.09626	12.9
127.07520	1.7
129.06970	3.8
130.07762	2.5
131.04909	3.4
131.08549	100.0
132.08893	1.9
133.06523	1.9
133.10107	7.0
134.03607	2.5
135.04370	4.3
135.08017	7.9
135.11668	8.4
137.05936	3.3
137.09583	1.1
138.06741	2.3
139.07555	4.6
139.11165	1.5
141.05420	3.7
143.00148	1.4
143.08521	1.4
145.10101	44.2
147.04370	3.9
147.08003	5.9
147.11638	6.4
148.05154	1.6
149.05978	19.7
149.09598	87.7
149.13237	3.3
150.10001	1.8
151.07518	3.7
151.11147	5.9
153.05441	15.9
153.09087	7.3
155.07010	1.3
158.10854	1.5
161.01135	1.3
161.13191	0.9
163.03879	1.0
163.07535	3.1
163.11162	32.2
163.14775	3.3
164.11539	1.0
165.01770	0.9
165.09111	6.5
165.12689	2.2
166.00737	1.6
167.07019	5.1
167.10664	6.3
167.14297	5.9
173.09683	6.0
173.13216	5.9
177.05486	7.6
181.04947	1.1
181.08531	2.9
191.06970	1.8
191.10643	37.5
191.14273	18.5
194.00311	6.3
209.02682	2.8
209.04422	2.3
209.08054	4.8
209.11702	55.0
209.15297	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	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02373	2.0
53.03928	11.2
55.01864	14.9
55.05507	12.0
56.96539	1.5
57.03412	5.5
57.07064	1.6
59.04986	1.8
61.02925	1.1
62.21577	1.2
65.03930	15.8
65.77162	1.2
67.05498	10.7
67.83766	1.2
68.99761	1.5
69.03052	2.9
69.03421	56.4
69.07070	7.1
69.89261	7.7
70.06576	1.9
71.04969	6.0
75.04453	7.3
78.04695	12.2
79.05479	29.7
81.03400	3.7
81.07047	20.2
83.04970	12.4
83.08601	5.1
84.08174	1.4
85.02900	9.6
85.06528	4.7
89.03902	9.5
91.05466	60.4
93.03395	21.3
93.07029	35.5
94.04180	2.4
95.04958	30.9
95.08594	10.8
97.02881	2.1
97.06505	20.2
97.10177	1.4
99.04452	2.5
103.04754	1.7
103.05456	31.7
105.03369	3.7
105.04498	1.6
105.07023	17.0
106.04161	63.7
107.04346	1.8
107.04957	18.0
107.08573	24.6
108.05750	3.0
109.06496	21.5
109.10142	6.6
110.03614	2.1
110.05961	1.3
111.04410	4.3
111.08071	4.1
117.03324	7.6
117.07008	4.3
118.04147	1.8
119.04896	7.8
119.08561	5.7
120.05708	3.5
121.02822	2.3
121.06489	88.4
121.10120	17.0
121.61472	2.9
123.04428	5.5
123.08051	12.4
123.11695	13.3
124.05219	2.6
125.05967	21.3
125.09626	4.1
127.07489	1.9
129.06995	2.7
131.04915	23.3
131.08551	19.4
133.06445	2.7
133.10104	7.0
134.03609	15.4
135.04411	11.5
135.06363	2.0
135.08029	6.9
135.11647	4.0
137.05986	11.8
137.09589	2.3
138.03050	1.7
138.06741	20.7
139.07495	4.9
139.11139	1.5
145.02856	6.1
145.10115	10.3
147.04427	6.1
147.06308	3.4
147.08026	1.9
147.11760	1.4
148.05159	10.6
149.02354	2.0
149.05959	100.0
149.09589	18.3
149.13248	4.6
150.06409	2.1
151.03923	1.9
151.07500	5.3
151.11140	6.0
152.06163	1.9
152.08325	1.4
153.05484	8.1
153.06624	1.2
153.06900	1.2
153.09076	20.9
155.08562	1.9
159.04387	8.8
162.03018	1.6
163.03839	7.5
163.07533	8.4
163.11140	7.2
163.14789	2.1
165.05429	3.2
165.06850	2.0
165.12718	2.6
166.06224	5.1
166.07564	1.4
167.06990	6.2
167.10693	2.6
167.14268	5.2
169.26529	1.3
173.09578	2.6
173.13226	4.2
176.04633	2.9
177.05447	76.1
178.06143	2.0
179.03328	1.4
179.07025	1.4
181.04906	4.0
181.08565	17.4
181.09998	2.6
191.07030	7.2
191.08705	2.0
191.10612	8.2
191.14240	11.6
194.00339	1.6
194.02042	2.0
194.05750	3.2
194.07335	2.9
209.02660	2.4
209.04405	12.4
209.07936	28.7
209.09669	9.3
209.11769	9.2
209.15312	35.1
221.90414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1331
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
55.01859	1.6
55.05487	4.3
56.96558	1.2
57.03434	1.3
57.07048	2.6
57.12726	1.1
58.06594	10.1
59.07368	4.5
60.08158	27.3
67.05494	3.3
68.05019	1.3
69.03410	2.2
69.07049	2.3
70.06573	1.9
70.22511	4.0
72.08144	1.5
79.05482	23.1
80.05010	1.1
81.07050	1.5
82.94845	1.6
83.04960	2.5
83.06083	1.4
85.02867	1.4
86.09679	1.1
91.05467	4.5
92.05823	1.4
93.07030	4.2
94.07372	1.4
95.04946	4.4
95.08633	1.5
96.04480	1.1
97.02853	2.4
98.06047	1.7
98.97562	1.8
103.05462	63.5
104.05740	1.3
105.07008	3.7
107.04942	42.8
107.08566	2.3
109.06496	2.3
110.06046	1.3
111.04427	2.7
114.36020	1.2
119.08561	1.2
120.04531	1.0
120.08080	3.3
121.06483	4.0
121.10115	2.0
123.04440	1.6
123.08044	1.8
123.09103	1.4
123.97427	1.4
124.07632	2.3
125.09573	1.2
127.60413	1.4
131.04916	49.0
132.05257	1.1
135.04379	1.9
137.05870	1.4
137.09572	1.9
148.04938	1.9
149.03474	1.2
149.05968	16.4
149.09637	1.2
150.10201	1.7
151.11145	1.3
152.11906	1.5
156.15572	1.3
162.05444	2.2
162.09174	3.3
162.95792	1.3
163.03905	4.1
163.07521	2.0
165.34486	1.1
177.05406	2.6
180.06480	1.3
181.04936	1.9
185.97505	1.9
193.15869	3.7
208.03206	4.5
208.09758	5.9
208.13318	100.0
209.04417	4.6
209.08105	3.5
209.15392	3.0
224.02548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	1.0
55.05504	3.6
56.05021	0.9
56.96557	0.6
57.03431	0.9
57.07071	0.7
58.06596	0.4
59.04990	0.3
61.02909	0.3
62.01575	0.2
65.03934	1.0
67.05498	7.0
68.05019	0.6
69.03412	1.7
69.07065	1.4
69.80750	1.2
69.81159	0.5
70.06590	1.8
71.04986	1.0
71.74913	0.3
72.08143	4.0
77.03925	0.4
79.05486	5.0
80.05014	0.7
81.03407	4.3
81.05795	0.4
81.07036	2.7
82.06568	4.1
83.04961	1.5
83.08611	1.1
84.08131	100.0
85.02889	1.1
85.06527	0.4
85.08470	1.0
89.03926	0.4
91.05466	21.7
92.05817	0.3
93.07044	3.9
94.06564	0.9
95.04951	2.8
95.08585	2.8
96.08120	4.5
97.02885	0.4
97.06513	0.5
98.09715	0.6
99.04435	0.6
101.02380	0.5
103.05484	1.2
105.03392	0.8
105.04485	0.3
105.07015	14.2
106.07372	0.3
107.04941	2.0
107.08577	3.1
108.08092	0.5
109.02856	0.5
109.06499	1.8
109.07644	0.3
109.10139	1.3
110.09665	2.2
111.08111	0.5
112.11263	0.7
115.05457	1.5
117.07004	3.4
118.04154	0.3
118.06581	0.3
119.04932	5.9
119.08565	20.8
120.08072	0.7
120.08904	0.6
121.02858	0.6
121.06504	1.4
121.07632	0.2
121.10117	1.9
122.09633	0.4
123.04404	3.4
123.08045	2.9
123.08965	0.4
123.11722	0.4
125.05984	0.5
125.09590	0.4
128.06192	2.8
129.06987	6.8
131.04919	0.4
131.08569	1.0
132.02083	0.4
132.05688	0.3
133.02821	2.1
133.06483	1.8
133.10115	3.5
134.09624	0.8
135.04449	0.9
135.08005	0.6
135.10027	1.0
135.11633	0.6
136.05244	0.4
136.11194	0.6
137.05940	0.9
137.09619	1.2
138.11635	0.5
138.12756	4.6
138.13727	0.4
141.05449	0.8
141.06921	0.3
143.08549	6.1
144.43729	0.2
145.06470	1.6
145.10101	0.6
146.03645	1.2
146.07266	0.3
147.04379	5.2
147.08026	22.8
147.11670	1.9
148.08490	1.2
149.02306	1.3
149.09592	1.5
150.12787	1.8
151.03917	1.0
151.07535	2.3
151.11160	0.3
153.06956	0.8
155.06128	0.4
156.09373	0.6
157.03944	0.3
161.02351	0.3
161.05971	1.9
161.09613	4.3
161.13210	1.7
162.05399	0.4
162.12798	0.8
163.03899	1.0
163.07608	0.5
163.11171	0.7
164.04645	1.0
164.14302	1.9
165.01886	0.4
165.05466	1.1
165.09085	2.3
165.12723	2.1
171.08055	1.0
171.11711	0.7
174.03078	0.5
175.03906	4.0
176.04257	0.3
177.05527	0.5
178.15898	0.5
179.03328	2.6
179.07016	2.1
179.08377	0.4
179.10637	0.6
189.05447	0.5
189.09081	3.6
189.12703	2.3
189.16541	0.3
191.08963	0.6
192.04102	1.5
193.04587	0.5
207.02870	7.2
207.06462	7.3
207.10158	7.7
207.12103	5.3
207.13849	3.9
207.18559	20.1
208.03232	0.3
208.06084	0.5
208.09726	0.3
208.18802	0.4
223.02380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01585	0.6
51.02375	0.6
53.03938	5.5
54.06259	0.3
54.81804	0.3
55.01868	2.0
55.05503	5.1
57.03402	0.4
57.07065	0.4
59.04990	0.4
65.03930	1.5
67.05494	23.1
69.03404	0.5
69.07056	6.3
70.20729	0.3
70.25539	0.6
70.25946	1.1
71.04979	2.8
73.02925	0.3
77.03914	1.7
79.05479	42.7
80.05819	0.7
81.03401	1.5
81.07042	20.8
83.04970	2.2
83.08598	2.3
85.02895	0.8
85.06528	2.8
87.04446	0.7
89.03924	0.6
91.05465	56.3
92.05791	0.5
93.07028	100.0
94.07365	1.5
95.04952	16.2
95.08001	0.6
95.08587	7.9
96.05248	0.4
97.06522	1.7
97.10108	0.7
98.20799	0.4
99.08052	0.4
101.05955	0.4
103.05433	0.9
105.03391	0.4
105.04501	3.3
105.07011	27.2
106.07294	0.5
107.04939	0.8
107.08575	9.3
109.06500	4.0
109.10106	0.9
111.04418	0.3
111.08043	0.5
113.06025	0.4
114.29514	0.3
115.05443	0.6
117.07001	5.1
119.04919	2.7
119.08563	15.1
121.02846	0.5
121.06493	2.2
121.10139	2.1
123.04405	4.5
123.08047	3.6
125.05936	0.4
127.07534	1.0
128.06195	1.4
129.06984	9.0
129.07964	0.5
130.07803	0.5
131.08513	1.8
133.02831	3.1
133.06458	0.8
133.10104	6.3
135.04388	0.7
135.08070	0.5
135.11636	0.5
137.05969	0.8
137.09558	0.5
138.66832	0.3
139.07448	0.4
143.08530	5.4
145.10104	8.1
147.04381	2.2
147.07988	2.5
147.11659	52.1
148.12025	1.1
149.02286	0.8
149.09567	1.0
151.03865	1.4
151.07513	1.2
156.09329	1.0
159.11732	0.4
161.02307	0.6
161.05983	0.3
161.09608	3.1
161.13219	6.4
163.03894	0.9
163.11159	0.7
164.04660	0.9
165.09056	0.4
165.12747	0.9
171.11664	16.3
175.03880	1.6
179.03375	3.0
179.06952	0.7
180.33008	0.3
189.05524	0.6
189.12715	9.4
189.16380	0.7
192.04135	0.7
192.09302	0.5
207.02859	19.2
207.06400	4.1
207.08241	0.5
207.11876	0.6
207.13760	13.5
207.17232	0.6
208.03233	0.7
223.02390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02357	1.1
53.03934	8.9
55.01865	2.7
55.05505	8.0
64.15985	0.7
65.03930	1.2
67.05499	26.2
69.07052	6.3
71.04982	2.8
71.37043	2.2
74.36890	0.7
77.03925	1.3
79.05486	49.8
81.03397	1.9
81.07047	23.5
83.04980	2.5
83.08596	2.9
84.32422	0.8
85.06535	1.9
91.04864	1.1
91.05469	56.5
93.07033	100.0
94.07352	1.1
95.04395	1.4
95.04963	16.6
95.08597	7.8
97.06515	1.4
99.08051	0.8
105.04517	2.1
105.07016	32.4
105.07729	1.8
107.04959	0.7
107.08585	10.1
109.06485	4.6
109.10095	1.0
117.07000	4.9
118.49812	0.8
119.08560	14.5
121.06484	2.3
121.10123	2.2
123.08047	3.0
124.19479	0.8
127.07521	1.3
128.06178	1.1
129.07001	8.4
131.08542	0.9
132.33342	0.8
133.06509	1.0
133.10107	4.9
143.08537	5.6
145.10110	7.6
147.08023	1.9
147.11665	56.4
148.11928	0.9
161.09573	4.4
161.13228	7.8
171.11653	20.8
187.89410	0.9
189.12741	9.8
206.26414	0.9
207.13782	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02379	2.5
53.03936	5.7
55.01867	4.3
55.05512	9.9
57.03423	3.6
57.07061	3.7
59.04987	3.9
63.22564	1.7
65.03940	9.7
67.05493	31.6
69.03416	11.3
69.07055	8.4
70.85420	6.1
71.04996	1.8
77.03941	1.9
79.05489	14.4
81.03392	7.7
81.07042	12.2
82.06551	2.3
83.04962	7.2
83.08607	3.9
84.08141	2.0
85.02893	6.5
85.06532	8.0
89.03911	5.5
91.05471	100.0
92.05770	2.7
93.07044	21.0
94.15128	2.2
95.04973	15.6
95.08598	82.8
97.02865	4.0
97.06526	4.3
99.04542	2.1
103.05449	8.1
105.03371	8.1
105.07019	29.7
107.04950	9.5
107.08582	22.5
109.06522	10.9
109.10155	8.6
111.08080	2.1
113.06006	5.1
115.05450	5.0
116.98623	2.0
117.06995	5.0
118.04151	5.2
118.06556	3.9
119.04933	74.4
119.06855	10.2
119.08563	39.6
120.08102	5.6
121.02821	4.2
121.06527	10.4
121.08412	7.7
121.10132	19.6
123.04434	32.0
123.08060	55.2
123.11682	8.9
125.09592	2.1
128.06239	3.2
129.07001	2.3
131.04904	3.2
131.06902	4.0
131.08577	6.2
132.02032	5.5
133.02852	18.8
133.06482	9.0
133.10132	12.7
135.04402	6.8
135.08034	6.2
135.11638	4.6
136.05190	5.4
137.05995	3.7
137.09605	8.7
137.13191	2.3
143.08525	4.1
145.02768	2.6
145.04848	3.6
145.06520	2.5
145.10095	5.6
146.03609	8.1
147.04395	58.4
147.06230	3.9
147.08044	17.5
147.11673	16.6
149.02342	12.2
149.09604	38.3
151.03909	6.1
151.07541	13.4
151.14766	2.6
156.09346	6.7
157.03990	5.5
159.08017	2.1
159.47926	1.8
161.02350	2.8
161.05969	12.9
161.07893	3.4
161.09631	11.8
161.13255	24.3
162.09084	1.9
163.03912	5.4
163.11195	6.0
164.04742	8.9
165.01775	2.1
165.05464	2.1
165.09135	7.3
165.12743	16.3
171.06400	2.8
171.11696	3.5
174.03142	6.5
174.10406	5.5
175.03897	64.3
175.05429	3.7
176.04137	2.2
179.03369	21.2
179.07048	12.8
179.14244	4.2
189.05588	3.8
189.07370	6.5
189.09061	4.7
189.12732	23.8
189.16318	2.0
192.04175	17.1
207.02887	86.0
207.06500	59.2
207.08206	2.7
207.10112	6.8
207.11812	3.1
207.13786	50.0
207.17181	2.2
208.03258	4.0
208.09708	2.7
223.02362	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.25585	0.7
51.31642	0.6
53.03934	1.9
55.01851	1.2
55.05502	6.4
56.96547	1.1
57.03432	1.3
57.07069	4.9
59.04981	1.4
65.03922	3.9
65.51473	0.6
66.43791	0.6
67.05495	32.7
69.03419	4.1
69.07057	3.9
69.61280	3.0
69.61715	2.5
70.42986	0.6
71.04972	2.1
71.08599	1.3
77.03898	0.9
79.05481	6.8
81.03422	1.2
81.07040	7.4
83.04970	4.0
83.08591	0.7
85.02901	1.8
85.06528	8.7
89.03911	1.1
90.04712	0.6
91.05463	29.2
92.05840	0.7
93.07027	12.6
95.04945	6.0
95.08590	100.0
96.08919	2.1
97.02821	0.7
97.06536	1.2
98.97573	1.9
99.04389	0.7
103.05442	1.8
105.03376	1.5
105.07012	18.7
107.04944	1.0
107.08575	18.2
108.05721	0.9
109.06491	6.9
109.10150	4.9
111.08023	1.5
113.05987	4.7
115.05408	0.8
117.07009	2.8
118.04147	1.4
119.04929	20.1
119.06865	1.0
119.08562	26.7
120.09389	1.6
121.02859	0.8
121.06487	3.5
121.10130	16.7
123.04409	7.1
123.08050	65.3
123.11681	8.6
125.09592	1.4
129.06938	1.2
130.07724	0.7
131.04926	0.6
131.08566	5.0
132.02043	1.9
132.05675	0.8
133.02832	6.1
133.06468	2.4
133.10101	7.7
135.04376	1.9
135.08035	1.9
135.11667	3.2
137.09584	4.2
137.13229	2.1
139.07510	1.1
143.08505	1.4
145.06390	0.8
145.10112	2.3
146.03596	1.6
147.04399	13.9
147.08006	7.0
147.11668	11.2
148.11871	0.7
149.02316	2.9
149.09590	33.0
151.03874	1.9
151.07518	2.9
151.14790	3.4
156.09312	2.4
157.03992	0.9
159.08031	2.0
159.11703	0.7
160.08810	1.6
161.05946	2.1
161.09575	2.7
161.13237	19.2
163.03873	0.9
163.11098	3.5
164.04668	2.5
165.09088	2.5
165.12715	9.4
171.11650	2.5
174.03072	2.1
174.10405	3.8
175.03877	17.1
179.03374	6.7
179.06967	3.9
179.14278	3.3
189.09087	1.2
189.12721	16.4
190.13075	0.8
192.04141	4.0
207.02863	25.9
207.06430	11.4
207.08284	1.4
207.13771	26.8
208.03160	1.2
208.06940	0.7
223.02287	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	0.9
55.01869	0.7
55.05510	1.3
57.07066	1.2
59.04986	1.0
60.25538	0.5
65.03933	1.5
67.05491	5.9
69.03406	1.1
69.07059	2.0
69.87428	3.4
71.04988	1.7
79.05486	3.7
81.07047	14.8
83.04959	0.8
84.08125	0.7
85.02893	100.0
85.06511	0.7
86.03245	0.6
89.03889	0.9
91.05463	11.2
93.07035	5.2
94.78869	0.5
95.04946	2.1
95.08596	5.2
97.06510	0.5
98.20762	0.7
99.03502	0.5
103.05412	1.1
105.03330	0.8
105.07015	11.2
107.04922	0.9
107.08565	6.6
109.02893	0.5
109.06499	4.0
109.10138	14.2
111.04420	1.7
116.06218	0.7
116.53761	0.5
117.06977	1.3
118.04170	0.7
119.04926	8.0
119.08574	11.3
121.06488	1.4
121.10134	9.7
123.04429	7.9
123.08068	3.7
123.11689	58.4
124.12011	1.1
124.18629	0.6
125.05975	10.9
128.06143	0.6
129.06999	0.9
130.07722	1.1
131.08549	3.1
133.02843	6.0
133.06447	0.8
133.10097	2.2
135.04411	1.4
135.08040	1.0
137.05992	1.0
137.09642	1.0
139.07565	0.9
141.05441	1.4
141.06975	0.6
143.08565	1.4
145.10118	5.8
146.03542	0.8
146.10812	0.8
147.04378	5.7
147.08038	6.6
147.11673	12.1
149.02338	1.5
149.09601	12.6
151.03856	1.9
151.07523	5.3
156.09308	3.3
159.08003	1.6
161.05913	0.7
161.09570	1.8
161.13229	1.7
163.11165	1.6
164.04630	1.3
165.09032	0.9
165.12730	2.3
169.08600	1.5
171.11659	2.4
174.10374	1.9
175.03867	5.2
179.03374	6.7
179.06984	1.9
179.08890	1.0
180.03938	0.6
188.28493	0.6
189.09183	1.2
189.11012	0.6
189.12727	9.7
190.09041	0.5
192.04118	2.6
207.02864	28.2
207.06467	6.7
207.08313	1.1
207.13782	36.4
208.03098	1.2
223.02345	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.78397	0.8
51.02377	1.6
53.03939	6.0
53.46091	0.8
55.01863	2.2
55.05502	8.9
67.05494	23.7
69.07060	7.7
69.35875	2.8
69.36295	6.6
71.04988	2.0
73.06546	1.3
77.03915	1.7
79.05480	46.5
81.03416	1.8
81.07046	22.5
83.04958	2.4
83.08601	3.0
85.06542	2.8
91.05466	50.2
93.07029	100.0
94.07369	1.5
95.04951	17.9
95.08592	8.1
97.06530	2.1
105.04499	2.0
105.07012	24.6
107.08574	12.8
109.06529	4.8
111.08060	1.1
117.07003	5.5
119.08570	14.8
121.06517	1.6
121.10138	1.6
123.08047	3.3
125.66033	0.9
129.06989	10.9
131.08524	1.1
133.10077	5.1
135.11674	1.5
143.08560	4.2
145.10069	7.8
145.84497	0.9
147.08058	2.1
147.11659	48.1
161.09645	3.1
161.13237	6.2
167.85136	1.0
171.11665	21.0
189.12730	8.3
207.13766	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	207.0648
Annotation	Scoparone
Peak:m/z	Relative Intensity
50.58303	1.0
51.02356	1.9
53.03927	2.3
55.01863	2.9
55.05492	2.7
55.73641	1.0
55.96213	1.1
56.96557	2.1
60.07892	1.0
65.03923	10.4
66.68492	1.2
67.05489	6.4
69.03407	2.6
69.07047	4.0
69.46021	11.1
71.04959	2.3
76.24003	1.2
77.03909	1.5
79.05476	7.9
81.03394	1.3
81.07056	5.9
83.04925	1.5
83.08599	1.2
85.02874	1.6
89.03902	5.7
90.04680	1.7
91.05464	99.8
92.05805	1.5
93.03412	2.4
93.07030	9.4
95.04948	10.5
95.08589	8.1
97.06516	1.6
99.04446	1.3
101.03885	1.5
103.05445	6.5
104.02567	1.2
105.03362	4.9
105.07018	10.7
106.04146	2.4
107.04926	5.3
107.08562	5.2
108.05699	3.7
109.06480	4.2
109.10098	3.2
111.04423	1.6
115.05389	1.7
117.06993	1.1
118.04147	7.8
119.04923	100.0
119.08550	8.1
121.02839	4.8
121.06490	6.8
121.10087	3.4
122.03639	1.5
123.04411	6.3
123.08043	6.9
123.11687	1.5
129.03352	1.6
129.06989	1.6
131.04855	1.8
132.02081	7.2
133.02798	2.6
133.06482	5.5
133.10101	4.5
134.03551	1.9
135.04375	6.9
136.05180	11.8
137.05952	3.6
137.09586	2.2
143.08499	1.9
145.02802	2.2
145.10095	2.6
146.03600	12.9
147.04384	81.7
147.08018	2.5
147.11685	7.1
148.04852	1.5
149.02321	27.3
149.05957	4.5
149.09573	4.9
150.03009	1.8
151.07503	14.7
157.02856	1.1
157.03972	6.8
161.05917	5.0
161.09576	2.1
161.13191	3.8
163.03914	9.5
164.04666	33.2
165.12749	2.2
171.11607	1.5
174.03101	11.7
175.03874	69.1
177.05421	3.4
179.06998	33.3
189.05371	1.6
189.09251	1.5
189.12717	4.7
191.03343	1.7
192.04146	23.7
192.09343	1.2
194.25343	1.2
207.02838	3.9
207.06485	93.9
207.09918	3.3
207.11845	2.4
207.13719	8.6
207.17484	3.0
208.06853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0285
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02376	0.6
53.03936	1.0
55.01860	0.4
55.05492	0.3
56.96558	0.3
65.03937	0.9
67.05488	1.4
68.99785	0.4
69.03414	0.6
69.07046	0.5
69.40353	2.4
71.04984	0.5
77.03912	1.3
79.05489	1.3
81.03422	1.7
81.07043	0.6
83.04975	0.4
83.08614	0.4
85.02892	0.4
87.78355	0.2
89.03904	2.2
91.05470	8.3
93.03394	0.4
93.07030	0.9
95.04951	2.1
95.08605	1.0
97.06514	0.2
98.20715	0.5
103.05460	0.8
105.03377	3.8
105.07029	2.0
107.04948	1.1
107.08563	1.1
109.02878	1.4
109.06494	0.8
109.10143	0.4
115.05412	0.5
117.03364	1.1
118.04140	0.8
119.04925	6.5
119.08533	1.5
121.02855	3.0
121.06511	0.6
121.10130	0.9
123.04409	32.7
123.08068	0.9
123.11708	0.6
124.04824	0.4
131.08492	0.2
132.02034	0.6
133.02831	23.9
133.06436	0.5
133.10146	0.7
134.03136	0.3
135.04388	3.8
135.11697	0.3
136.05159	0.6
137.02325	0.3
137.09612	0.5
143.08583	0.5
145.10115	0.3
146.03568	1.2
147.04376	5.3
147.08012	0.5
147.11697	0.9
149.02292	1.6
149.09608	1.1
150.03094	0.4
151.03876	6.8
151.07530	1.0
157.04015	0.2
161.02313	2.2
161.05943	0.6
161.09573	0.8
161.13257	0.9
163.03908	1.9
163.11078	0.6
164.04684	1.8
165.12712	0.9
171.11697	0.3
174.03101	1.0
175.03880	4.5
177.01839	0.5
178.02696	0.3
179.03366	27.4
179.06883	2.1
180.03745	0.6
189.01794	0.3
189.09052	0.3
189.12730	0.7
192.04175	1.8
205.01337	0.9
207.02855	100.0
207.06480	5.4
207.13725	2.2
208.03215	1.4
223.02335	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	207.0285
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02376	0.7
53.03925	0.8
55.01850	0.5
55.05490	0.8
57.03440	0.3
57.07050	0.3
65.03922	1.0
67.05492	2.0
68.34956	0.3
68.99781	0.5
69.03403	1.0
69.07011	0.3
70.18867	1.5
71.04967	0.6
71.60582	0.3
74.29488	0.3
74.29906	0.3
77.03907	1.4
79.05486	1.7
81.03401	1.2
81.07042	1.8
83.04976	0.5
84.08125	0.5
85.02891	3.2
86.91008	0.3
89.03909	2.4
91.04922	0.6
91.05466	10.3
93.07037	1.6
95.04960	2.4
95.08588	1.8
97.06512	0.4
103.05470	0.8
105.02827	0.4
105.03393	3.1
105.04499	0.4
105.07005	4.0
107.04935	1.4
107.08570	2.2
109.02827	1.1
109.06486	1.4
109.10135	1.2
111.04430	0.4
115.05434	0.4
117.03351	1.3
117.07020	0.5
118.04138	0.8
119.04928	9.2
119.06839	0.3
119.08566	4.0
120.08078	0.6
121.02847	2.8
121.06494	0.9
121.10135	1.8
123.04415	28.5
123.08028	1.7
123.11723	1.8
125.05980	0.7
129.03317	0.5
129.06975	0.7
131.04874	0.6
131.08565	1.0
132.02036	0.6
133.02837	22.8
133.06448	0.8
133.10153	1.5
135.04416	3.2
135.08026	0.8
136.05174	0.7
137.09584	0.9
143.08560	0.6
145.02805	0.3
145.06439	0.3
145.10094	0.8
146.03584	1.5
147.04396	8.4
147.07999	1.7
147.11667	2.5
149.02339	2.0
149.09631	1.9
150.03094	0.6
151.03886	6.7
151.07515	1.4
156.09306	0.5
157.03906	0.4
158.83148	0.3
159.11604	0.5
160.05202	0.5
161.02267	1.8
161.05977	1.0
161.08342	0.3
161.09566	1.6
161.13222	1.0
163.03870	2.2
163.11160	0.8
164.04636	1.6
165.12759	1.2
171.11650	0.7
174.03091	1.4
175.03885	7.9
177.01843	0.6
177.05574	0.5
179.03371	27.0
179.06847	2.3
180.03677	0.5
189.05559	0.5
189.07564	0.4
189.09105	1.1
189.12721	2.1
192.04097	2.4
195.55083	0.3
207.02861	100.0
207.06483	7.6
207.13783	5.4
208.03156	2.2
223.02333	14.4
223.04535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0286
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02375	0.3
53.03927	0.7
55.01856	0.4
55.05522	0.2
57.74797	0.2
65.03931	0.5
67.01846	0.2
67.05482	1.1
68.54516	0.2
68.99801	0.5
69.03400	0.3
69.52656	1.9
70.06584	0.2
77.03915	0.9
79.05477	1.2
81.03416	1.2
81.03819	0.2
81.07053	0.6
83.04945	0.2
84.08105	0.3
85.02900	0.4
89.03891	1.8
91.05457	2.6
93.07020	0.9
95.04943	1.5
95.08589	1.0
99.04474	0.3
103.05452	0.3
105.03387	2.0
105.07012	1.7
107.04920	1.4
107.08579	0.6
107.20975	0.2
109.02856	0.8
109.06488	0.5
109.10155	0.3
110.27922	0.2
112.26024	0.2
117.03365	0.6
117.06999	0.4
119.04922	1.3
119.08558	1.8
120.95626	0.2
121.02828	1.5
121.06493	0.6
121.10091	0.4
123.04408	21.0
123.08050	0.9
124.04726	0.4
128.06281	0.4
129.06967	0.5
133.02831	16.3
133.06462	0.5
133.10130	0.7
134.03183	0.3
135.04410	2.4
137.02312	0.9
137.09581	0.4
143.08543	0.4
147.04356	1.6
147.08040	1.7
147.11671	0.6
149.09619	0.8
151.02678	0.3
151.03886	5.1
151.07486	0.5
153.01826	0.3
155.68646	0.2
161.02295	2.3
161.05952	0.6
161.09587	0.7
161.13231	0.5
163.03888	3.8
163.11157	0.2
164.04715	0.5
165.01781	1.6
165.09059	0.4
165.12764	0.4
165.96634	0.2
175.03856	0.9
177.01863	0.3
179.03363	15.0
179.06908	0.6
180.03641	0.4
183.44864	0.2
189.01822	1.6
189.05415	0.3
189.09059	0.6
189.12625	0.4
192.04128	0.5
205.01285	0.4
207.02850	100.0
207.13698	1.3
208.03204	1.8
223.02339	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	206.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.96567	0.8
57.03378	0.6
61.93402	0.6
65.03932	1.8
67.05495	1.2
69.03403	1.1
69.07092	0.6
71.59249	1.0
72.05803	0.5
77.03902	0.6
78.16733	0.6
79.05489	1.4
81.03410	1.3
81.04530	0.7
81.07041	1.7
85.02903	1.4
91.05467	16.5
92.05849	0.6
92.54787	0.5
93.07038	1.7
95.04960	1.4
95.08606	1.7
97.02888	0.7
98.97573	0.9
100.46913	0.6
103.05457	2.0
105.07012	3.8
107.08566	1.6
109.06508	1.2
110.85495	0.6
115.05438	6.8
117.05769	5.8
117.06976	3.8
118.06525	100.0
119.04935	12.7
119.06883	1.7
119.08562	2.0
120.08100	2.6
121.06496	1.0
121.10065	0.6
123.04415	1.9
123.08031	1.2
130.06509	73.9
131.04935	0.7
131.07323	7.9
132.04420	0.8
132.08070	23.6
132.09074	1.4
133.02834	0.8
133.06448	1.0
133.08501	0.7
133.10127	1.5
135.08022	0.7
136.07512	0.7
137.05969	0.6
142.06497	10.0
143.07289	6.1
144.08069	13.6
145.06477	1.2
145.08446	0.7
145.10144	0.7
146.03590	1.7
146.05986	46.3
147.04384	9.1
147.06290	0.8
147.08081	1.2
147.11658	1.6
148.08627	1.1
149.02321	3.5
149.05945	0.7
149.09555	1.9
150.02695	3.0
151.03882	0.6
151.07478	1.2
157.03935	0.8
159.07956	0.7
160.07545	45.9
161.05949	1.7
161.07922	1.3
161.13219	0.9
162.06366	1.5
163.03932	0.9
163.11208	0.9
164.04649	1.4
168.51198	0.6
170.05981	41.2
171.06325	1.2
174.03131	0.9
175.03874	8.5
178.04916	0.6
178.08745	0.9
179.03339	2.0
179.07005	2.9
182.50856	0.7
188.07043	54.4
189.07378	1.9
189.09003	1.2
189.12740	1.4
191.14377	1.7
192.04131	2.0
201.00722	0.8
206.08086	33.9
206.11951	1.9
206.15459	1.9
206.19086	0.6
207.02876	6.7
207.06511	7.8
207.08334	0.8
207.13817	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	206.081
Annotation	Indolelactate
Peak:m/z	Relative Intensity
55.05511	0.8
56.96567	0.8
57.03378	0.6
61.93402	0.6
65.03932	1.8
67.05495	1.2
69.03403	1.1
69.07092	0.6
71.59249	1.0
72.05803	0.5
77.03902	0.6
78.16733	0.6
79.05489	1.4
81.03410	1.3
81.04530	0.7
81.07041	1.7
85.02903	1.4
91.05467	16.5
92.05849	0.6
92.54787	0.5
93.07038	1.7
95.04960	1.4
95.08606	1.7
97.02888	0.7
98.97573	0.9
100.46913	0.6
103.05457	2.0
105.07012	3.8
107.08566	1.6
109.06508	1.2
110.85495	0.6
115.05438	6.8
117.05769	5.8
117.06976	3.8
118.06525	100.0
119.04935	12.7
119.06883	1.7
119.08562	2.0
120.08100	2.6
121.06496	1.0
121.10065	0.6
123.04415	1.9
123.08031	1.2
130.06509	73.9
131.04935	0.7
131.07323	7.9
132.04420	0.8
132.08070	23.6
132.09074	1.4
133.02834	0.8
133.06448	1.0
133.08501	0.7
133.10127	1.5
135.08022	0.7
136.07512	0.7
137.05969	0.6
142.06497	10.0
143.07289	6.1
144.08069	13.6
145.06477	1.2
145.08446	0.7
145.10144	0.7
146.03590	1.7
146.05986	46.3
147.04384	9.1
147.06290	0.8
147.08081	1.2
147.11658	1.6
148.08627	1.1
149.02321	3.5
149.05945	0.7
149.09555	1.9
150.02695	3.0
151.03882	0.6
151.07478	1.2
157.03935	0.8
159.07956	0.7
160.07545	45.9
161.05949	1.7
161.07922	1.3
161.13219	0.9
162.06366	1.5
163.03932	0.9
163.11208	0.9
164.04649	1.4
168.51198	0.6
170.05981	41.2
171.06325	1.2
174.03131	0.9
175.03874	8.5
178.04916	0.6
178.08745	0.9
179.03339	2.0
179.07005	2.9
182.50856	0.7
188.07043	54.4
189.07378	1.9
189.09003	1.2
189.12740	1.4
191.14377	1.7
192.04131	2.0
201.00722	0.8
206.08086	33.9
206.11951	1.9
206.15459	1.9
206.19086	0.6
207.02876	6.7
207.06511	7.8
207.08334	0.8
207.13817	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	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.22698	0.2
55.88141	0.2
56.96543	0.5
56.97048	0.2
68.05007	0.2
69.03412	0.4
71.45888	0.4
76.03989	0.4
80.94938	0.2
84.04500	0.2
85.02908	0.2
93.17745	0.2
95.04950	0.4
97.02882	0.3
98.09675	0.5
104.04993	0.3
105.03391	1.1
106.07319	0.2
121.02852	0.2
121.97546	0.2
123.04430	0.3
126.14182	0.2
132.04439	2.1
133.02835	0.6
134.06836	0.5
144.10187	0.9
149.02303	0.5
150.02724	0.4
150.05475	2.4
160.09448	0.4
162.06300	0.4
178.04968	100.0
179.03783	0.1
179.05321	1.5
180.05360	0.2
183.97633	0.2
191.14330	0.3
201.00681	0.4
201.06523	0.2
206.04459	42.6
207.02890	1.1
207.04811	0.7
207.06598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.03488	0.5
56.05041	0.9
56.90803	0.5
56.96570	1.5
57.07074	0.8
60.47095	0.6
65.03912	0.5
68.05030	0.7
69.03405	0.8
70.06590	1.1
71.04975	0.6
71.58867	0.9
75.11280	0.5
79.05471	0.6
80.05030	0.9
82.57330	0.6
82.93179	0.5
83.30272	0.6
85.02863	0.8
91.05475	1.3
95.04962	0.9
95.74894	0.5
97.02900	0.6
103.05461	0.7
104.04975	6.6
105.03363	1.1
106.07413	0.6
108.04475	0.5
114.03384	0.5
116.86121	0.5
119.04927	0.7
120.08111	1.1
121.02875	0.7
121.06530	0.7
122.07126	0.8
123.04417	2.1
130.10294	0.5
132.04436	27.9
132.05180	1.0
133.02827	2.2
134.06847	1.3
135.04469	0.8
136.07497	0.5
137.05966	0.6
144.04414	2.0
146.06993	0.6
147.04417	1.1
148.08708	0.8
149.02322	1.6
150.02628	3.0
150.05461	1.8
151.03870	1.3
160.02737	0.6
160.03810	3.1
161.05959	0.8
162.05490	2.3
163.03804	0.7
163.09741	0.7
178.04971	100.0
179.03464	1.1
179.05284	1.9
183.04109	0.6
188.06987	1.1
188.09149	0.7
189.11351	0.7
191.14246	1.6
201.00641	0.7
206.04459	68.5
206.08150	2.0
206.11819	2.1
206.13925	0.9
207.02869	10.6
207.04720	1.3
207.06500	1.1
223.02219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.42427	0.5
50.61000	0.5
52.31894	0.5
57.07068	1.5
65.03928	0.8
66.54222	0.6
69.03420	0.9
71.38734	1.4
71.61394	0.4
74.02444	1.5
79.05504	0.8
81.03390	1.1
85.02850	0.9
90.50360	0.7
90.53474	0.5
91.05473	2.2
93.07034	0.9
97.02881	1.8
99.04436	1.2
105.07034	1.9
109.02798	0.5
115.05424	5.2
116.72102	0.5
117.05723	1.4
117.06972	2.7
118.06521	49.7
119.06895	1.1
121.02846	1.4
127.03915	0.7
130.06516	2.4
131.04921	0.9
132.08075	11.4
133.06459	4.7
142.06479	4.8
143.07292	6.5
144.04477	0.5
144.08057	21.9
145.06512	1.2
146.05984	100.0
147.06331	2.5
149.02312	9.7
159.04425	0.8
159.09146	9.9
159.11720	0.6
160.07552	1.9
160.64870	0.6
161.05962	4.0
163.96631	0.6
170.05986	8.0
187.03964	0.8
187.07683	0.6
188.07033	72.9
189.07390	1.6
205.04973	0.8
205.12222	0.9
205.15825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01861	1.0
55.05499	1.9
56.05024	0.8
56.96550	0.6
57.03438	0.6
57.07068	4.6
60.04520	1.0
61.04858	0.6
65.03935	2.5
67.05489	1.7
68.05016	1.2
69.03428	3.4
69.07055	1.8
70.06579	1.8
70.75639	1.5
71.04986	1.1
73.02895	0.6
78.95250	0.5
79.05478	2.4
80.05008	11.3
81.03400	2.9
81.07047	2.4
82.06561	1.4
83.04958	1.3
83.08547	0.5
84.04517	0.6
84.08132	100.0
85.02889	2.4
85.08447	0.7
91.05470	5.8
91.90530	0.4
93.03408	0.5
93.05773	2.1
93.07024	4.3
94.06557	0.9
95.04946	1.5
95.08615	1.2
96.04482	1.2
96.08132	0.7
97.02872	5.1
97.06517	0.7
98.09692	0.7
99.04463	1.5
103.05425	2.1
105.07005	5.3
106.06538	0.6
107.04937	0.7
107.07326	0.9
107.08574	2.9
108.04559	0.5
108.08105	32.6
109.02879	2.9
109.06493	1.1
109.10163	0.5
110.09669	28.3
111.04434	0.8
112.11229	2.9
113.11534	0.4
115.05452	1.9
117.07012	4.2
118.06545	0.6
119.04935	0.7
119.08566	3.2
119.97823	0.6
120.08103	1.8
121.02861	4.1
121.06489	6.1
121.10109	1.5
122.03152	0.6
122.07105	0.5
123.07993	0.5
126.05521	0.5
127.03889	2.0
127.05815	0.7
128.06319	0.6
129.06987	1.5
130.07750	0.6
131.04912	2.8
131.08572	4.0
132.08081	0.7
133.06487	1.1
133.10103	1.5
134.03622	1.0
134.09639	12.6
135.04491	0.7
135.08047	1.9
135.11688	0.8
136.11198	22.2
136.12248	1.1
137.05984	0.5
143.08534	0.6
144.01529	0.5
144.09325	1.4
145.04897	0.6
145.06477	3.3
145.10129	3.7
146.05992	1.7
147.04408	1.0
147.08028	1.3
147.11658	0.6
148.11182	0.6
149.02324	26.7
149.05907	2.2
149.09647	0.9
149.13301	0.8
150.02649	1.1
151.07524	0.6
159.04437	1.7
159.08069	3.2
159.11690	5.0
161.05959	2.3
161.09599	1.4
162.03090	1.9
162.10460	0.5
162.12773	4.1
163.03860	0.5
163.07561	1.1
163.09894	0.7
163.11086	2.1
163.96838	0.7
167.03500	0.6
169.10269	0.5
172.08778	0.7
173.05977	1.6
175.07498	0.6
176.04710	1.2
177.05403	3.6
177.09106	1.4
177.12703	2.8
181.97908	1.0
187.03917	1.3
187.07631	1.5
187.11214	1.7
187.14781	0.9
188.07047	1.0
188.14279	2.5
190.06171	0.9
205.04918	6.1
205.08609	5.9
205.12247	8.3
205.16995	96.3
206.04388	0.7
206.08083	0.8
206.11952	0.7
206.17311	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	204.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05015	0.3
57.03407	0.2
57.07062	0.4
57.43598	0.2
60.04520	4.7
61.02898	0.6
68.05022	1.7
69.03402	0.6
70.59102	0.5
81.03408	0.3
81.07027	0.2
84.04495	3.2
84.08141	0.8
85.02888	1.2
89.03873	1.1
91.05453	0.6
93.07045	0.4
95.04965	0.3
96.04484	3.3
97.02889	3.2
98.06023	0.7
99.04449	0.5
100.03966	0.2
103.05453	0.3
103.65189	0.2
105.07050	0.4
107.04949	0.2
108.04447	0.3
109.02853	0.4
110.06045	0.6
111.04396	0.2
114.05513	2.0
115.05431	0.5
116.04973	2.8
119.08562	0.4
121.02897	0.2
121.06491	1.3
121.10136	0.2
122.05997	0.3
126.05502	3.3
127.03928	0.5
130.07323	0.3
131.04970	0.3
131.08562	0.2
133.06479	0.3
134.05931	0.5
136.11174	0.4
138.05441	0.8
144.04434	0.7
144.06514	0.5
145.04903	0.4
145.06465	0.4
145.10059	0.4
147.04500	0.2
149.02313	1.8
156.06535	0.3
159.11797	0.2
161.05963	1.4
161.08238	0.2
162.05481	100.0
163.05855	2.0
168.06519	0.5
175.07500	0.4
176.08087	0.3
177.05441	0.4
186.07587	0.5
187.07642	0.2
188.10648	0.6
189.05537	1.1
189.11438	0.6
190.04970	13.6
191.05231	0.3
204.06540	26.3
204.08548	2.0
204.13820	3.4
205.04988	0.3
205.06822	0.6
205.08572	0.5
205.17099	0.5
217.50504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0493
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
53.03946	1.2
55.01865	2.8
55.05519	0.6
57.03438	0.6
57.07076	2.9
60.04520	0.8
65.03946	2.7
69.03433	2.7
69.55325	1.5
69.55733	2.8
79.05488	4.4
81.03416	2.8
81.07037	1.6
83.04982	0.8
83.48812	0.6
84.04505	0.7
85.02901	2.0
85.04802	0.8
91.05470	7.9
93.07052	2.6
95.04961	1.5
95.08589	0.9
97.02881	4.0
99.04436	1.4
103.05458	8.4
105.03408	1.0
105.04577	0.6
105.07020	35.0
106.07339	0.7
107.04948	13.7
107.08601	1.5
109.02855	2.5
115.05439	24.8
117.07015	3.3
119.04929	3.5
119.08562	1.1
121.02860	7.7
121.03739	0.9
121.06534	4.0
121.10113	1.0
127.03914	1.1
127.05820	0.9
131.04909	27.3
131.08553	1.8
133.06479	78.5
134.06807	1.0
135.08093	0.7
137.05920	1.1
142.04106	0.8
143.04929	2.4
143.05934	0.6
144.05649	1.5
145.06499	3.7
145.10120	2.1
146.03580	0.7
146.06029	0.9
147.04366	1.4
149.02336	21.8
149.05966	7.8
159.04401	14.4
159.08037	1.9
159.11696	2.9
160.05197	3.9
161.05963	100.0
162.06273	2.8
163.11140	1.2
171.05525	22.3
173.05997	2.1
176.04802	0.9
177.05458	7.0
177.09068	1.5
177.12695	1.9
185.83350	0.6
187.03886	27.9
187.07451	1.0
187.11176	0.9
188.06993	0.8
188.32533	0.6
190.05913	2.0
205.04936	14.6
205.08560	5.9
205.10414	0.7
205.12248	3.5
205.14020	1.1
205.15871	1.7
217.98145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2162
Annotation	DDAO
Peak:m/z	Relative Intensity
53.43760	0.3
55.05507	0.6
57.07067	18.1
58.06319	0.3
58.06586	3.4
62.06081	13.0
67.05478	0.3
69.07043	0.3
69.52268	0.8
69.52692	1.6
71.08254	0.3
71.08622	5.1
81.07040	0.3
85.10172	3.5
91.05447	0.4
95.08587	0.3
103.05401	0.4
105.07003	0.7
106.63477	0.3
107.08567	0.4
115.05473	0.3
119.08549	0.7
119.38219	0.2
119.57116	0.3
128.06126	0.3
129.06969	0.3
133.10071	0.4
133.41533	0.3
146.10449	0.3
147.04427	0.3
156.08897	0.4
157.10100	0.3
175.07483	0.5
184.18950	0.5
184.20583	9.0
185.20872	0.3
202.21628	100.0
203.03349	0.5
203.06992	0.8
203.10666	0.3
203.14290	0.4
203.17792	0.4
203.21974	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	1.0
55.05500	13.0
57.03434	4.4
57.07062	5.1
60.04516	3.4
67.05494	14.7
68.05003	2.3
69.03407	1.0
69.07056	15.3
71.08622	1.1
71.17477	1.9
73.66925	0.8
79.05481	6.2
81.07047	15.4
83.08606	6.3
84.04498	5.4
91.05461	15.6
93.07018	11.7
95.04977	1.4
95.08595	46.2
96.04459	4.5
97.02858	4.6
97.10156	3.5
105.07011	56.0
107.08575	21.3
109.06500	2.8
109.10139	27.0
109.10893	1.4
114.05507	3.9
117.07004	3.2
119.08562	66.7
121.06487	1.0
121.10120	15.7
123.08060	2.1
123.11648	3.0
124.25290	0.9
126.05503	5.8
128.92847	1.0
129.06929	2.1
131.08546	5.4
133.10112	58.9
134.10457	1.0
135.08003	1.4
135.11679	4.7
138.05432	0.9
139.68369	0.8
142.07762	1.5
143.08571	1.4
144.06549	1.5
145.06380	1.0
145.10095	10.9
147.11667	52.2
148.12213	1.2
157.10086	2.5
159.11682	7.3
160.12456	5.9
161.05910	1.1
161.13251	27.6
173.13245	2.1
174.13992	1.7
175.07539	2.1
175.14806	15.1
179.14299	6.4
185.13222	1.9
188.15761	1.0
203.03410	2.4
203.07037	2.7
203.10612	4.0
203.14345	14.8
203.17932	100.0
204.08662	2.8
204.13853	3.6
204.18150	1.5
205.15887	1.3
212.22473	0.9
219.17279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05502	11.0
57.07055	3.0
59.04989	1.5
60.04498	2.1
65.03928	1.3
67.05194	1.2
67.05497	13.8
69.06702	1.2
69.07056	20.2
70.58356	1.8
70.58737	2.4
79.05475	10.2
81.07043	31.9
83.08606	5.2
84.04473	1.1
86.06424	0.9
91.05460	18.3
93.07029	15.4
95.04945	2.0
95.08585	39.7
96.04475	1.6
97.02886	1.5
97.10133	1.5
103.06601	0.9
105.07010	71.9
107.08574	20.3
109.10130	25.2
115.05422	2.6
117.07000	4.5
119.08559	83.2
120.08851	1.4
121.10128	17.2
123.11691	5.0
126.05440	3.1
128.06239	2.0
129.06949	2.6
131.04854	1.5
131.08533	10.8
132.05699	1.2
133.06447	4.2
133.10104	64.5
133.50621	1.0
134.10539	1.5
135.11653	6.6
137.82405	1.0
142.07802	2.6
143.08505	3.8
144.09357	1.0
145.10092	20.8
147.08012	4.6
147.11659	78.9
148.12059	1.6
152.47084	1.0
155.08542	1.6
157.10106	5.9
159.11639	7.9
160.05125	2.9
160.12424	8.9
161.05942	1.3
161.09584	4.2
161.13229	30.3
170.10895	5.4
173.13220	3.5
174.14024	1.3
175.07498	5.1
175.14824	7.2
181.31926	1.0
185.13191	6.7
188.04646	1.5
189.02992	1.8
203.03302	1.7
203.07056	5.8
203.10654	3.7
203.14412	7.1
203.17917	100.0
204.13821	2.2
204.18207	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52639	2.3
52.10717	2.4
53.56139	2.3
56.72533	2.4
56.96550	2.6
57.41436	2.5
63.29242	2.2
71.11880	2.6
71.17393	6.1
74.86395	2.4
82.01433	7.1
98.97566	9.7
100.02451	28.9
101.00846	20.8
116.98607	5.8
118.03497	16.8
119.01900	100.0
120.02016	6.5
121.01632	5.5
134.99666	4.0
137.02940	42.6
142.03484	37.8
142.38197	2.6
156.97424	5.8
160.04539	24.6
161.02940	17.0
174.98506	6.4
178.01009	6.3
178.05516	5.3
179.00728	8.3
179.03992	34.2
179.05550	4.1
179.98050	5.4
197.92342	2.5
197.98946	16.6
199.50024	11.3
200.00146	3.0
214.87296	2.4
220.01974	12.8
221.01828	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	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24334	3.2
56.96554	18.8
57.86599	3.3
62.33509	3.4
69.03419	2.8
70.61034	9.0
70.61391	6.0
98.97571	19.0
100.02451	10.3
101.00881	22.0
102.00919	4.5
110.01487	3.3
116.98638	8.9
118.03535	7.7
119.01900	100.0
120.02010	12.1
121.01643	8.1
128.00772	4.4
128.75389	3.3
132.01955	3.3
133.03433	3.7
134.99710	9.1
137.02934	43.4
142.03479	27.1
145.03436	5.9
156.97443	46.7
160.04585	17.0
161.01706	3.9
161.02957	23.5
161.04189	4.8
165.01118	4.8
166.00128	4.1
166.51143	7.0
170.00293	4.2
174.98502	43.4
176.00891	5.7
177.00810	5.0
178.01004	5.1
178.51067	6.6
179.00783	8.0
179.04033	26.8
179.99040	38.6
187.51692	6.7
198.00159	42.3
202.05602	4.6
214.96486	5.3
220.02052	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	202.1071
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
55.01861	7.7
55.05485	1.0
56.01369	2.0
57.06802	1.1
57.07066	16.7
59.04971	2.4
60.04505	1.2
65.03910	1.1
67.05492	15.4
69.06744	1.0
69.07059	12.7
69.60624	0.9
70.02944	22.4
70.06572	1.4
71.02753	1.4
71.03109	1.3
72.04116	1.4
72.04504	20.7
73.02528	1.6
73.02907	21.9
74.02427	2.6
76.27285	0.9
76.58199	0.9
81.07015	2.5
83.04942	2.3
84.08121	0.9
85.06532	12.0
86.09687	6.0
86.82194	0.7
87.08096	5.2
87.34135	0.8
90.05541	5.0
94.06566	0.9
95.04334	1.2
95.04947	19.5
96.08112	6.7
97.78455	0.9
98.02402	46.9
99.02726	0.8
99.08059	1.4
100.03964	17.2
103.07556	3.6
112.07572	2.8
113.05996	11.1
114.09154	1.5
114.95271	0.7
116.03442	32.5
124.07574	41.4
125.07901	0.9
128.03378	0.8
130.08575	2.8
131.07004	2.9
132.10164	2.7
140.10684	1.8
142.08620	46.9
148.09599	1.3
156.10147	3.3
160.09669	10.4
166.08612	4.2
174.11212	3.4
184.09659	33.4
184.13222	1.2
202.10713	100.0
203.07034	1.0
203.11028	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	202.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.0
55.05474	1.6
56.01381	1.3
57.06806	1.0
57.07066	15.4
59.04978	1.7
60.04514	1.8
65.03916	0.9
66.90914	0.9
67.05495	17.3
69.06702	1.0
69.07059	13.4
70.02938	24.5
70.06569	1.8
71.01295	2.8
72.04124	1.4
72.04502	20.8
73.02907	23.8
74.02416	4.5
78.91987	0.8
79.05467	3.0
79.76122	0.8
81.07046	2.0
82.06555	0.9
83.04977	2.2
84.08136	2.4
85.02908	0.8
85.06524	12.1
86.09695	7.4
87.08081	3.3
90.05534	5.0
91.05451	2.1
95.04950	23.1
96.08132	7.0
97.02877	1.0
98.02401	48.4
99.08083	1.5
100.03960	14.8
103.07525	4.2
112.07593	2.0
113.05984	14.4
114.09164	1.2
116.03439	35.7
124.07573	47.8
128.03384	1.6
128.07062	1.0
130.08626	3.6
131.07019	2.7
132.10197	3.3
134.06073	1.0
134.07097	0.8
140.10667	8.4
142.08614	48.8
142.12292	1.3
147.04376	3.5
148.09671	1.1
156.10226	4.6
156.11324	0.8
160.09669	10.9
161.08286	1.0
166.08658	4.3
174.11247	3.8
175.03870	4.7
175.07448	1.7
184.09668	36.1
184.13266	3.1
202.10719	100.0
203.03391	2.5
203.06929	2.5
203.10887	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	201.1634
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05487	3.7
57.07051	3.4
57.75231	1.1
67.05510	4.9
69.07061	6.4
69.60220	0.9
71.39175	2.4
79.05466	3.7
81.07053	7.7
83.08593	1.3
91.05486	6.4
93.07031	7.0
95.08593	9.5
105.07021	12.7
105.07671	1.8
107.08579	7.9
109.10114	2.8
115.05447	1.6
117.06988	8.5
119.08591	12.6
121.10131	3.7
128.06187	2.1
129.06987	4.2
130.07806	5.3
131.07664	1.6
131.08565	21.0
133.10118	9.1
142.07735	1.9
143.08572	7.5
144.09328	6.2
145.10106	53.9
147.11661	2.3
155.08563	2.0
157.10104	7.1
158.10863	5.1
159.11671	48.8
160.12175	1.3
171.11681	7.7
172.12523	2.5
173.13226	11.2
186.14053	7.0
201.09087	1.9
201.13051	2.3
201.16359	100.0
202.16600	3.0
212.92635	1.0
213.94104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38457	1.8
53.98428	1.8
55.01864	6.4
55.05493	2.9
56.05031	2.1
56.96560	19.1
57.03430	17.3
58.49897	1.9
58.99852	12.7
61.02914	7.2
69.03425	11.5
69.07046	3.2
69.77161	1.7
70.06576	7.4
70.15637	10.2
70.15935	2.1
70.99855	10.2
71.04980	3.9
72.08134	5.5
73.01428	2.2
73.02898	13.3
74.06053	2.3
74.97618	2.4
77.00906	16.5
81.03403	6.9
81.07047	3.3
82.01420	10.9
84.04494	12.4
84.08122	5.0
85.02888	12.6
86.03691	3.8
86.06049	6.2
86.09712	2.3
86.99305	3.7
87.04442	10.6
89.00896	8.4
91.02430	10.5
91.05482	2.4
95.01940	6.0
97.02895	10.1
97.06496	2.1
98.09756	2.0
98.97578	17.6
99.04420	3.8
99.08057	3.4
100.02470	42.5
101.00326	2.0
101.00858	13.0
102.00974	2.3
102.02258	3.4
103.00618	2.4
103.02411	4.8
105.00345	4.9
107.01924	3.1
108.08091	2.5
109.03465	8.5
110.03058	2.0
110.97589	4.2
112.02747	2.4
112.07625	2.1
112.08775	1.8
114.09151	3.6
115.02417	2.9
116.02500	2.5
116.98595	13.2
118.01101	3.0
118.03516	24.4
119.01900	59.5
119.03567	2.6
120.02045	10.3
120.03270	3.2
121.01649	6.8
121.03455	5.4
123.06646	2.3
124.02720	2.0
126.09068	2.3
126.98765	15.5
127.03905	3.9
128.02341	2.7
129.03920	3.9
129.52950	2.4
131.00085	2.6
131.01869	8.6
132.02042	2.7
133.01671	6.5
133.03447	18.0
133.98831	2.0
134.03581	6.2
134.99635	6.9
135.03186	4.1
136.04520	2.5
136.06100	1.9
136.07520	6.0
137.02930	21.2
137.05956	2.4
137.07904	2.8
138.03018	3.0
142.03484	7.5
144.99808	92.9
146.99596	3.1
147.01350	7.4
147.53935	2.2
149.01183	4.2
149.02953	8.9
150.00349	8.2
150.03059	2.7
151.04520	8.7
152.04707	2.5
154.03644	2.7
154.08510	3.2
156.10287	2.6
158.01312	2.0
158.99664	3.4
159.01367	11.6
161.02895	7.7
162.03027	4.7
163.00871	11.8
163.02684	2.6
167.03978	3.1
168.01410	100.0
168.99879	3.1
169.01691	3.1
172.02777	2.3
173.02901	3.5
176.04643	5.2
177.00743	8.7
177.02411	93.2
177.06007	3.1
178.02556	2.7
182.03113	5.8
182.08084	3.2
182.11790	3.1
183.08438	8.9
183.11269	4.1
186.02444	16.0
187.00850	5.4
187.02625	2.5
189.00769	4.4
195.01797	3.5
195.03499	29.7
195.05167	2.5
200.04037	58.8
200.09108	2.5
200.12697	9.6
201.02420	4.7
201.04178	2.4
218.05237	7.4
219.01784	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92126	0.9
53.03927	2.7
55.01857	1.5
55.05496	2.8
56.05020	4.1
56.96558	43.9
57.03431	12.5
58.99849	2.3
59.99918	1.2
60.95847	1.4
61.02909	3.1
65.03909	1.9
67.05477	2.5
68.05003	1.7
69.03409	8.6
69.07060	8.3
70.06581	9.7
70.98133	2.5
70.99834	2.1
71.01344	1.1
71.04977	1.8
71.13964	2.4
71.95245	3.7
71.99918	1.6
72.08137	2.4
73.02911	5.2
73.03236	1.0
77.00897	2.2
78.00971	2.1
79.05476	4.9
81.03396	4.4
81.07045	7.9
82.06560	3.3
83.04951	1.0
84.04501	9.3
84.08141	5.6
84.96014	3.0
85.02892	7.7
86.06059	20.1
86.09708	5.2
87.03970	1.9
87.04461	26.5
89.00887	2.5
91.02440	1.2
91.05470	19.2
92.05787	4.2
94.04189	2.6
94.06541	1.3
95.04955	1.3
95.08595	1.7
96.08119	2.0
97.02876	8.9
97.06507	15.8
97.96759	1.6
98.05977	1.7
98.09650	3.2
98.97571	100.0
99.04414	1.9
99.08080	8.6
99.97912	1.6
100.02486	2.6
100.07598	4.9
101.00871	8.4
102.00956	4.2
102.05525	3.6
104.07088	2.0
108.08089	1.5
109.02875	2.6
110.01308	1.5
110.06065	1.5
110.97533	4.2
111.04390	3.1
112.07556	2.7
112.99020	1.0
114.09139	10.6
115.97836	1.2
116.10696	1.6
116.98608	83.4
117.98954	2.4
118.03519	2.9
119.01902	28.6
119.04938	15.6
120.01989	20.2
120.05265	3.9
121.01649	4.5
122.03649	2.9
123.04356	1.4
126.09130	3.3
127.03901	2.0
127.06046	1.2
127.68849	1.1
128.07057	11.4
128.98602	4.4
129.10210	1.9
131.01913	5.4
133.03464	3.0
134.03555	3.6
134.99640	57.8
135.03128	2.1
136.04546	1.6
136.07553	1.9
136.11143	1.8
137.02943	5.8
137.05962	25.0
137.06999	1.5
138.03023	4.3
138.06316	6.0
138.09142	3.9
139.02672	1.2
140.00160	2.6
140.03418	2.4
140.07053	1.5
142.08585	2.1
143.01842	7.4
144.99791	2.7
145.03392	2.5
146.99655	2.7
147.04385	22.8
148.04704	6.7
149.01199	1.2
149.02869	2.5
152.04604	3.0
153.00693	8.7
154.03545	2.9
154.08612	3.9
154.12239	2.8
156.10176	4.3
158.01256	5.5
158.03200	1.0
158.04527	2.6
158.99673	5.1
161.01218	3.1
161.02927	15.1
161.06001	1.2
162.03003	1.8
164.10675	1.4
168.01456	2.2
170.99640	1.2
172.04463	2.1
173.02922	1.1
176.00993	4.0
176.02380	2.0
176.03963	1.2
177.00685	11.9
177.02365	4.8
177.03888	1.5
179.07013	4.6
180.07433	1.4
181.03444	2.0
182.11760	4.3
183.08429	3.4
184.00342	1.4
184.60207	1.2
185.01201	1.7
185.02856	1.1
194.02031	1.5
195.01749	3.4
195.03403	2.0
195.05020	4.2
199.18794	3.2
200.02306	1.2
200.04028	3.6
200.09157	1.4
200.12787	21.4
200.14622	1.2
201.00682	1.7
213.49934	1.1
218.05153	3.2
219.01662	1.7
219.03494	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	199.0963
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.33264	0.5
53.03937	4.3
55.01868	4.4
55.05506	4.0
56.05031	0.6
57.03416	0.9
57.93537	0.5
59.06112	0.7
65.03928	0.9
67.05495	4.6
68.58187	0.5
69.03413	2.1
69.07043	2.3
69.52201	1.3
69.52608	3.0
71.08595	0.7
72.04494	1.2
74.09711	4.9
77.03919	0.7
79.05482	25.0
81.03413	1.0
81.07052	7.3
83.04958	1.6
83.06074	0.7
83.08611	1.3
84.08946	0.6
86.09697	1.3
91.05472	18.7
93.07033	41.6
94.07388	0.8
95.04961	11.3
95.08586	2.5
97.06521	4.2
98.97571	1.0
99.04409	0.5
100.07613	1.1
103.05460	4.0
105.03371	0.9
105.04495	1.5
105.07012	1.6
107.01323	0.9
107.04951	3.3
107.08527	0.8
109.06490	1.5
111.04433	3.9
111.08047	3.7
116.97170	2.7
116.98631	1.2
121.06496	47.0
123.04420	1.3
123.08049	13.9
125.05961	1.4
125.09689	0.7
128.06189	1.7
131.99515	1.0
139.03902	1.0
139.07521	32.4
140.04660	0.7
140.08090	0.9
143.08517	1.4
143.28880	0.6
149.05960	12.1
152.96800	0.9
153.05519	0.8
153.06970	0.8
153.09059	0.5
155.08582	0.5
156.09322	1.1
157.10104	1.3
164.06982	0.7
167.07022	100.0
168.07361	1.6
171.08000	1.4
171.11687	1.3
175.98572	2.0
181.04930	2.5
181.06349	0.7
181.08539	0.7
181.09972	0.8
182.08035	1.3
185.07974	1.2
199.07526	2.9
199.11197	1.2
199.14757	1.3
199.18871	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1479
Annotation	CADALENE
Peak:m/z	Relative Intensity
53.03923	1.0
55.01857	0.5
55.05503	4.1
56.05846	0.6
56.07072	0.4
56.96562	1.1
57.07061	1.6
58.51043	0.4
67.05490	0.8
69.07054	5.2
70.07402	0.5
70.11056	1.6
72.04515	0.7
74.09711	4.0
79.05478	5.2
81.07041	1.9
83.08599	1.7
91.05465	7.8
93.06438	0.7
93.07031	13.4
95.04971	2.1
95.08566	0.8
98.21454	0.5
100.07599	1.3
103.05489	0.8
105.07015	18.7
107.08576	6.3
109.06513	0.5
111.04446	0.9
115.05436	1.2
116.97202	1.8
117.07005	1.3
119.08564	23.0
120.08903	0.6
120.44809	0.4
121.10146	0.6
121.87373	0.4
128.06218	7.6
128.32161	0.4
129.07002	11.6
131.08530	3.5
131.99538	0.8
133.10120	1.7
141.06978	4.4
142.07762	21.7
143.08548	35.9
144.09300	2.1
145.10072	2.8
150.81934	0.4
152.96834	0.7
153.07002	0.8
154.07715	0.9
155.08531	7.3
156.09326	15.1
157.10106	62.9
158.10805	2.4
159.11670	0.5
169.07838	0.6
169.10118	15.8
170.10886	9.2
171.11671	22.9
172.12106	0.6
175.98523	1.2
181.04904	1.2
182.10899	0.6
183.11751	1.0
184.12451	18.6
197.13208	0.9
199.14799	100.0
199.18790	18.2
200.15237	3.1
200.16742	0.7
200.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
52.14158	1.2
53.03936	1.8
54.44075	1.1
55.01860	3.6
55.05244	1.7
55.05504	24.7
57.03403	3.4
57.07071	5.9
57.27572	1.3
59.05009	1.5
65.03928	1.9
67.05145	2.0
67.05499	35.7
69.03413	1.7
69.07061	28.9
69.32230	1.3
69.97853	7.0
70.95859	2.2
71.04668	1.3
71.04984	13.4
72.71957	1.1
72.93765	1.4
79.05477	20.3
81.07047	82.1
83.04984	6.5
83.08610	26.6
85.06535	15.9
87.04460	1.3
91.05472	23.1
93.07032	25.0
95.04949	4.0
95.08595	100.0
97.06523	35.5
97.10154	9.1
99.08069	4.7
101.06017	2.1
105.07019	27.6
107.08576	16.0
109.06564	2.9
109.10156	10.2
111.08069	8.1
111.98528	1.3
115.07531	2.1
117.06973	1.4
119.08572	41.2
121.10124	10.3
123.08065	8.7
132.95833	2.5
133.10115	28.6
135.11670	25.6
137.09586	3.1
137.13246	25.2
138.06737	5.0
139.03882	2.2
139.07578	1.9
150.96861	5.5
151.03883	1.3
151.11285	1.5
154.06218	3.3
154.07628	1.3
155.97360	2.2
161.09552	2.3
161.13237	67.8
162.13594	3.2
167.03362	1.4
167.08600	1.8
169.08546	5.8
169.09947	1.9
173.20013	1.4
173.98488	2.3
179.10701	7.4
179.14294	29.5
182.05762	2.4
182.07242	1.4
182.10934	1.6
189.55740	1.3
192.74669	1.3
197.05891	1.4
197.08084	5.3
197.09804	1.6
197.11665	4.5
197.13354	2.7
197.15327	11.2
198.18526	34.6
198.20349	2.1
214.48573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	1.0
53.68849	0.6
55.01875	1.6
55.05502	4.9
57.03454	0.8
57.07079	1.9
59.04991	3.6
59.53580	0.6
65.03939	1.2
66.25774	0.6
67.05496	6.8
67.87798	0.7
69.03439	1.6
69.07069	3.1
69.30161	1.5
69.30570	6.4
70.95858	1.3
71.01369	0.8
72.93800	1.5
79.05479	6.5
81.07045	9.1
81.07480	0.8
83.04976	1.5
83.08613	1.9
85.06538	1.8
91.05474	21.3
93.07034	26.1
95.04955	8.8
95.08596	4.4
97.06541	1.4
97.10168	0.8
105.04516	0.6
105.07020	33.6
106.98970	0.6
107.04959	1.5
107.08583	69.4
108.08936	0.8
109.06521	6.3
109.07164	1.0
109.10151	7.2
111.04436	0.8
111.08059	0.7
111.98486	1.9
112.37753	0.6
113.08238	1.2
115.05437	1.2
117.07013	2.1
119.04926	2.3
119.06144	1.1
119.08564	7.8
121.06504	6.9
121.10119	1.3
123.04432	4.7
123.08056	1.2
123.11693	4.3
128.06184	1.0
129.99518	1.0
131.08582	3.3
132.95813	2.5
133.02840	1.0
133.10118	74.4
134.10455	1.8
135.07999	1.7
135.11682	52.4
136.11957	1.6
137.05965	6.4
137.09619	4.4
138.06775	2.8
139.07538	0.9
139.17534	0.8
141.05461	0.7
141.06970	2.4
143.08557	1.6
146.07278	1.8
150.96872	5.5
151.03871	1.8
151.11159	7.6
151.14856	0.8
153.06969	0.7
154.06232	1.5
154.07719	2.1
155.97440	1.9
161.09602	34.8
162.09915	1.3
167.08569	0.8
169.06418	0.9
169.08588	1.9
169.10130	2.0
173.98480	2.5
179.10654	100.0
180.11005	3.6
181.06531	0.8
182.07234	1.6
182.10864	0.9
189.06482	0.7
197.05998	2.5
197.07980	1.9
197.09729	4.2
197.11703	66.2
198.12083	2.4
198.18518	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	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03930	2.3
53.19302	0.9
55.01859	2.4
55.05516	6.6
57.03411	2.0
57.07059	2.2
59.04963	1.8
61.02912	1.2
65.03903	1.7
67.05486	8.5
69.03399	4.0
69.07060	6.4
70.06541	1.4
70.95846	7.0
71.01315	1.4
71.04955	3.1
71.59341	1.6
72.93779	4.8
73.02864	1.2
79.05479	10.8
81.07045	13.5
83.04950	2.9
83.08593	3.7
84.04485	1.2
85.02888	1.4
88.96867	2.1
90.94782	1.6
91.05456	18.4
93.03354	0.9
93.07030	21.7
95.04951	7.5
95.08591	10.3
96.05610	1.4
97.02921	1.2
97.06526	4.5
97.10122	1.5
97.94576	1.0
99.04441	1.9
105.03374	3.6
105.07017	32.6
107.04928	1.3
107.08577	100.0
108.08952	2.4
109.06513	10.1
109.10142	6.9
111.04422	2.8
111.08052	2.1
111.98467	5.5
113.08242	7.3
115.05426	1.7
119.04926	3.5
119.05991	1.2
119.07763	1.1
119.08556	16.5
121.06473	3.9
121.10126	17.2
123.04405	5.7
123.08050	5.4
123.11666	3.3
124.05141	1.1
125.05972	3.2
125.09606	2.0
127.03862	1.2
129.99501	4.7
131.08507	3.0
132.95811	9.0
133.02788	1.3
133.06512	1.9
133.10109	63.7
134.10445	1.4
135.04315	1.1
135.11679	6.6
137.05948	8.6
137.08195	1.7
137.09576	5.8
138.06723	17.4
139.03879	4.9
139.07521	7.7
141.05455	2.0
141.06966	2.8
143.08505	3.2
146.07286	1.5
149.09642	8.8
150.78581	0.9
150.96872	19.2
151.03883	5.0
151.07556	2.2
151.11165	17.4
152.07082	1.3
154.06223	13.9
155.09227	4.7
155.10500	1.5
155.97385	5.6
161.09604	17.9
161.13170	1.2
165.05502	1.4
167.03366	3.4
167.06981	2.6
167.08519	1.2
167.10651	21.4
169.06439	2.3
169.08612	18.1
169.10031	2.0
171.28195	1.0
173.98479	15.4
179.03418	1.3
179.07097	1.8
179.09285	2.7
179.10640	48.7
182.05725	3.7
197.04405	1.5
197.05971	4.5
197.08026	13.2
197.09784	4.1
197.11694	45.1
197.13142	1.9
198.18506	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03164	0.2
52.11547	0.2
53.03942	0.3
54.13311	0.2
55.01873	2.4
55.05502	0.3
55.66800	0.3
65.03931	2.3
67.05494	2.3
69.76559	1.6
70.95860	0.8
71.04971	0.3
72.93791	0.4
73.02909	20.4
77.03922	0.3
79.05478	0.7
80.19759	0.2
81.07054	0.9
81.64440	0.2
83.04984	0.3
85.02911	0.4
88.96855	0.4
91.02467	0.2
91.03960	0.5
91.05475	3.9
93.03373	1.0
93.07040	0.6
94.04150	0.3
95.04961	1.9
95.08592	0.5
97.02920	0.3
98.21561	0.3
105.03345	0.5
105.07024	0.5
107.04930	0.5
107.08606	0.9
108.02096	2.6
109.02860	0.5
109.06532	1.8
110.03654	2.3
111.04453	1.8
111.98435	0.6
112.01552	0.3
113.08238	0.8
114.16177	0.3
119.04910	1.9
122.03616	0.3
123.04423	0.6
123.08042	0.5
125.05978	13.3
129.99503	0.5
132.95776	0.8
133.02838	1.5
133.10141	1.1
135.11679	0.7
137.05968	3.6
138.06720	1.0
141.05447	3.9
147.04350	0.3
149.05962	2.9
150.96912	2.1
151.03894	100.0
151.04973	8.0
151.07416	3.1
152.04308	1.3
154.06236	0.6
155.09270	0.9
155.97420	0.6
157.93034	0.2
165.05443	0.8
169.08597	0.6
173.98468	1.3
179.07014	17.2
179.10631	0.9
180.07480	0.3
197.06131	0.5
197.08057	5.1
197.09645	0.2
197.11729	0.4
198.18504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.05502	1.1
56.96558	14.4
57.03162	0.9
57.03429	13.4
58.03758	0.8
58.99854	3.3
59.04981	1.4
61.02619	0.5
61.02915	7.9
63.81030	0.4
67.05476	0.7
69.03423	9.5
69.07049	0.5
70.06586	0.5
70.98084	0.8
70.99838	1.5
71.01338	1.7
71.04980	3.3
71.61684	0.8
71.95251	1.3
73.01391	0.6
73.02907	6.7
74.03688	0.5
74.97612	0.6
75.04449	1.4
77.00895	5.6
78.00992	0.7
79.05498	0.8
81.03406	6.3
81.07034	0.8
82.99853	1.1
83.04965	0.9
84.04514	0.5
84.96011	0.9
84.99239	0.6
85.02888	8.2
86.03679	2.6
86.99352	0.7
87.00832	1.3
87.01929	0.7
87.04455	2.9
88.02695	0.8
88.99094	0.7
89.00880	2.5
90.01537	0.9
90.02399	0.7
91.00530	0.6
91.02439	1.6
91.05468	1.1
93.01853	0.5
93.07043	1.2
95.01934	1.3
95.04958	0.8
95.08595	0.7
97.02869	8.4
98.01272	1.1
98.97570	12.0
99.04443	2.1
100.00098	0.9
100.02477	3.3
100.05239	1.6
101.00866	18.8
101.02489	2.3
102.00954	1.1
102.02324	1.3
103.00599	1.0
103.02426	2.4
103.03133	0.8
103.03921	0.6
104.01285	1.3
105.00368	0.8
105.07016	0.9
107.01806	0.5
107.04965	0.9
107.08580	2.1
109.02814	2.7
109.03540	0.9
109.06448	0.7
110.01353	0.5
110.02180	1.1
110.97577	1.3
111.02050	0.8
111.02852	0.4
111.53032	0.6
112.00990	0.5
112.99132	0.6
113.00863	2.5
113.01652	0.7
115.02444	4.2
115.03178	0.9
115.03923	1.7
115.97839	0.5
116.02097	0.7
116.98610	7.9
117.01926	2.7
117.02833	0.5
118.01128	2.6
118.01850	0.8
118.03546	2.6
119.01901	100.0
120.01978	4.2
120.03336	0.9
121.01618	2.5
121.02417	0.5
121.03439	1.9
123.02892	1.0
123.04449	1.0
124.02563	0.6
124.95472	1.0
124.99110	0.6
125.01797	0.9
126.98758	1.0
127.01517	0.6
127.02381	2.1
127.03950	1.8
128.02354	0.9
128.98586	2.4
129.03954	1.0
131.00339	0.7
131.01883	17.9
132.01913	1.4
132.05066	2.0
133.01558	1.1
133.02374	2.8
133.03444	7.3
133.04153	0.5
133.05000	0.7
133.10091	1.5
134.02303	1.0
134.03557	1.8
134.99617	3.7
135.03125	1.2
135.04996	0.6
135.11717	1.7
137.02936	25.5
137.05923	0.6
138.03174	1.0
138.06732	1.7
139.02422	1.1
140.02304	1.2
141.05418	0.5
142.02864	3.0
142.03586	2.8
142.52988	0.9
142.96530	2.2
143.00061	0.8
143.01917	1.5
144.01859	0.8
144.99800	8.8
145.02408	1.1
145.03418	6.7
145.99934	1.3
146.02245	1.5
146.03400	1.5
146.99599	3.1
147.01373	1.8
147.03146	0.9
147.05013	2.0
148.02921	1.7
149.01228	1.0
149.02919	4.4
150.01819	0.7
150.03017	0.7
150.06067	1.3
150.96860	1.0
151.02498	1.1
151.03613	0.6
151.04562	0.9
152.03169	1.0
154.03560	0.8
154.06235	0.9
155.01854	1.5
156.02715	0.6
156.05112	0.7
157.03482	3.9
158.99593	2.5
159.01320	1.6
160.04512	0.8
160.97525	4.5
161.01196	1.4
161.02940	4.8
161.09641	1.1
162.03123	0.9
162.99438	0.6
163.00851	2.6
163.02702	0.8
163.04451	1.7
164.04640	0.6
165.00688	0.8
165.02487	0.5
168.99838	2.5
169.03444	1.1
169.08585	1.1
170.02925	0.9
171.05023	1.1
172.02899	0.6
172.04909	0.6
172.99294	2.4
173.01418	0.9
173.02934	6.0
173.99438	1.7
174.03015	2.3
174.06125	3.1
174.99104	1.4
175.00859	1.4
175.02913	0.8
175.04555	2.6
175.05894	0.5
176.03320	0.6
176.04689	0.6
177.00706	4.5
177.02448	2.4
177.03938	0.6
178.98650	1.0
179.10664	3.0
181.03499	0.7
185.02905	1.7
186.03180	0.7
187.00861	6.2
187.02577	0.7
187.04524	1.6
188.01231	1.1
189.00668	2.4
189.02437	1.7
191.00394	2.2
191.02142	0.8
191.04008	1.8
192.00513	1.9
192.04204	1.0
192.07144	0.9
193.00214	2.8
193.01764	0.7
195.01753	0.7
195.03384	0.6
197.01039	2.3
197.02975	1.8
197.04636	0.8
197.07970	0.9
197.10028	0.5
197.11711	2.3
198.18518	1.0
199.04601	0.7
201.00706	1.1
201.02457	1.3
203.04005	1.3
205.01945	1.4
207.01723	0.9
207.03502	0.8
215.00290	1.0
215.02126	1.6
215.04074	1.1
216.01402	0.6
217.01939	0.8
217.05522	1.0
219.01663	0.8
219.03543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03466	0.8
53.03930	2.3
55.01850	2.2
55.05498	10.6
57.07047	2.5
59.04967	0.7
63.02356	1.2
65.03931	1.3
66.04727	1.1
67.05499	6.6
69.03417	7.1
69.07057	21.4
69.44905	8.2
70.06570	0.9
71.04958	2.8
78.04691	1.8
79.05476	9.3
81.03410	1.3
81.07043	21.0
83.04970	1.8
83.08595	8.2
85.02875	2.0
85.06518	3.5
89.03908	28.0
91.05469	6.8
93.07027	9.2
95.04964	3.7
95.08013	1.5
95.08591	23.6
97.06492	1.6
97.10153	4.8
99.07441	1.5
99.08082	23.9
103.05433	2.0
105.07014	4.3
106.04159	2.0
107.04260	1.1
107.04935	12.3
107.08576	24.8
107.68011	0.9
108.08910	1.0
109.06477	2.0
109.10116	5.2
111.04410	2.4
111.08077	7.3
111.11691	1.8
113.09599	3.6
115.05412	0.9
117.03365	49.7
117.07021	1.1
118.03715	1.0
119.04916	1.6
121.02855	1.9
121.06476	1.9
121.10123	29.6
122.03552	1.2
123.04377	1.7
123.08013	1.5
123.11683	2.3
124.05169	1.2
125.05989	1.6
125.07067	1.3
125.09612	17.1
131.04916	1.0
133.02802	1.0
133.10168	1.0
134.03590	8.0
135.04407	11.2
135.08035	3.8
135.11676	8.6
136.08626	0.9
137.05948	1.1
137.09625	1.1
137.13248	10.1
139.07545	1.4
139.11212	1.9
145.02823	84.2
146.03174	3.8
149.05963	24.8
149.09554	1.6
149.13263	3.4
151.03851	3.9
152.04684	2.5
153.05437	1.2
159.11592	1.1
162.03081	2.5
163.03885	11.0
163.07539	2.6
165.05504	1.3
167.07054	3.8
177.05443	100.0
177.12750	1.2
177.16359	34.7
178.05890	4.3
178.16702	1.0
183.02766	0.8
186.05449	2.2
195.02885	4.4
195.06500	18.5
195.08095	1.8
195.10130	3.3
195.13765	1.5
195.15738	1.5
195.17386	7.6
196.17003	1.0
198.05238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.38311	1.2
50.87656	1.4
53.03945	5.9
55.01863	5.3
55.05501	31.7
57.03421	12.9
57.07067	17.4
57.74883	1.5
59.04983	1.6
63.02388	2.1
65.03934	6.6
67.05497	28.7
68.99813	1.6
69.03421	2.8
69.07061	51.8
70.34306	1.3
70.34605	6.8
71.04967	9.2
71.08630	3.9
78.04698	2.7
79.05486	29.6
81.03416	3.5
81.07047	71.6
83.04992	4.6
83.08607	19.1
85.02893	13.6
85.06528	20.8
87.38639	1.3
87.53345	1.4
89.03909	25.6
89.06027	3.1
91.05469	17.2
93.03411	2.7
93.06433	2.0
93.07032	55.4
95.04944	7.3
95.08595	94.5
97.06509	6.5
97.10168	19.4
98.21436	1.7
98.97410	1.4
99.08070	16.0
101.16385	1.3
103.05463	2.5
105.07021	8.2
106.04161	1.8
107.04958	10.6
107.08581	66.7
109.02856	2.8
109.06519	4.6
109.10148	27.0
109.39381	1.5
111.04431	7.7
111.08073	7.0
111.11697	6.8
113.09647	2.9
117.03363	55.3
117.04195	2.8
119.04961	1.5
119.08584	5.5
121.02879	3.7
121.06538	5.0
121.10132	66.1
123.04474	3.1
123.08033	2.1
123.11703	14.3
124.05216	1.7
125.02388	2.3
125.05987	2.7
125.09647	4.4
133.02844	2.2
134.03625	9.5
135.04410	12.9
135.08025	3.7
135.11678	24.3
135.12627	1.9
137.02344	2.4
137.09647	1.6
137.13237	13.4
139.03874	2.4
139.11192	6.2
145.02829	87.0
146.03229	2.8
149.05971	27.1
149.09586	2.1
149.13257	8.0
151.03912	4.6
151.14793	3.5
152.04648	4.0
153.05405	3.3
153.12694	2.1
159.11638	1.5
162.03110	2.7
163.03886	14.1
163.07549	1.4
165.05461	1.4
167.03304	2.7
167.07028	3.0
167.08549	2.0
171.03006	2.0
174.22536	1.4
177.05453	100.0
177.09024	2.9
177.12836	2.4
177.16365	61.3
178.05791	3.2
178.16649	1.6
186.05481	3.4
193.27975	1.5
195.02911	20.1
195.06500	27.2
195.08081	3.1
195.10187	3.2
195.17418	40.1
198.05302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.03466	0.8
53.03930	2.3
55.01850	2.2
55.05498	10.6
57.07047	2.5
59.04967	0.7
63.02356	1.2
65.03931	1.3
66.04727	1.1
67.05499	6.6
69.03417	7.1
69.07057	21.4
69.44905	8.2
70.06570	0.9
71.04958	2.8
78.04691	1.8
79.05476	9.3
81.03410	1.3
81.07043	21.0
83.04970	1.8
83.08595	8.2
85.02875	2.0
85.06518	3.5
89.03908	28.0
91.05469	6.8
93.07027	9.2
95.04964	3.7
95.08013	1.5
95.08591	23.6
97.06492	1.6
97.10153	4.8
99.07441	1.5
99.08082	23.9
103.05433	2.0
105.07014	4.3
106.04159	2.0
107.04260	1.1
107.04935	12.3
107.08576	24.8
107.68011	0.9
108.08910	1.0
109.06477	2.0
109.10116	5.2
111.04410	2.4
111.08077	7.3
111.11691	1.8
113.09599	3.6
115.05412	0.9
117.03365	49.7
117.07021	1.1
118.03715	1.0
119.04916	1.6
121.02855	1.9
121.06476	1.9
121.10123	29.6
122.03552	1.2
123.04377	1.7
123.08013	1.5
123.11683	2.3
124.05169	1.2
125.05989	1.6
125.07067	1.3
125.09612	17.1
131.04916	1.0
133.02802	1.0
133.10168	1.0
134.03590	8.0
135.04407	11.2
135.08035	3.8
135.11676	8.6
136.08626	0.9
137.05948	1.1
137.09625	1.1
137.13248	10.1
139.07545	1.4
139.11212	1.9
145.02823	84.2
146.03174	3.8
149.05963	24.8
149.09554	1.6
149.13263	3.4
151.03851	3.9
152.04684	2.5
153.05437	1.2
159.11592	1.1
162.03081	2.5
163.03885	11.0
163.07539	2.6
165.05504	1.3
167.07054	3.8
177.05443	100.0
177.12750	1.2
177.16359	34.7
178.05890	4.3
178.16702	1.0
183.02766	0.8
186.05449	2.2
195.02885	4.4
195.06500	18.5
195.08095	1.8
195.10130	3.3
195.13765	1.5
195.15738	1.5
195.17386	7.6
196.17003	1.0
198.05238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02360	0.6
51.60255	0.5
51.81937	0.6
53.03940	4.7
55.01864	4.1
55.05504	10.6
57.03423	3.9
57.07064	2.8
60.77269	0.6
65.03918	2.6
66.04717	3.7
67.05494	39.7
68.05825	0.7
69.03410	1.6
69.06702	0.6
69.07057	9.9
71.01340	1.4
71.04986	3.0
71.61751	0.9
76.10193	0.6
77.03931	0.7
79.01833	0.7
79.05482	29.5
80.05811	0.7
81.03409	11.1
81.07045	57.1
82.07379	1.1
83.04514	0.8
83.04974	10.9
83.08617	4.8
85.02886	2.2
85.06517	2.4
87.04459	0.7
89.03894	1.9
89.06039	0.7
91.05465	18.6
92.02580	0.9
93.03377	0.8
93.07031	34.7
94.04176	4.0
94.07382	0.7
95.04958	12.7
95.08592	22.3
96.05750	0.7
97.06518	8.5
97.10141	1.0
99.08084	0.6
103.05479	0.9
105.03362	0.8
105.04505	2.0
105.07009	7.8
107.04928	2.0
107.08579	16.4
108.01463	0.7
108.05748	1.4
109.02838	3.2
109.06509	4.9
109.10134	2.6
111.04440	1.2
111.08094	3.9
114.51328	0.6
117.03341	3.2
117.06998	6.9
119.08558	2.8
121.02840	2.2
121.06478	4.5
121.10135	8.6
122.03658	4.0
123.04427	6.5
123.08051	1.3
124.05226	2.8
125.05965	0.7
125.09590	1.3
129.07014	0.7
130.07822	0.8
131.08556	8.2
132.08813	0.6
133.10110	10.0
134.03607	0.8
135.04454	3.5
135.08086	3.0
135.11670	17.7
137.02309	7.7
137.05933	1.0
137.09631	0.6
139.07526	3.7
139.11157	1.7
145.02840	5.4
149.05989	3.0
149.09595	1.1
149.13245	10.3
149.97212	0.9
151.03891	18.4
151.11143	1.2
152.04668	16.1
153.05458	0.6
153.09103	0.7
154.02567	2.2
155.07011	4.8
159.11674	9.4
163.03899	1.7
163.11137	0.8
165.05400	1.5
165.06909	4.3
166.07822	0.7
167.07022	1.2
167.08484	1.2
172.98912	0.7
176.78949	0.6
177.05421	9.5
177.09050	0.8
177.12714	6.0
180.04141	1.9
180.09348	3.0
183.02864	5.4
188.13483	0.6
195.02902	5.2
195.06508	100.0
195.11656	4.5
195.13774	8.9
195.15628	1.3
195.17323	3.5
196.06856	4.7
196.14093	0.7
196.16936	0.8
198.03523	1.2
198.05214	15.3
207.47942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
51.60255	0.5
51.81937	0.6
53.03940	4.7
55.01864	4.1
55.05504	10.6
57.03423	3.9
57.07064	2.8
60.77269	0.6
65.03918	2.6
66.04717	3.7
67.05494	39.7
68.05825	0.7
69.03410	1.6
69.06702	0.6
69.07057	9.9
71.01340	1.4
71.04986	3.0
71.61751	0.9
76.10193	0.6
77.03931	0.7
79.01833	0.7
79.05482	29.5
80.05811	0.7
81.03409	11.1
81.07045	57.1
82.07379	1.1
83.04514	0.8
83.04974	10.9
83.08617	4.8
85.02886	2.2
85.06517	2.4
87.04459	0.7
89.03894	1.9
89.06039	0.7
91.05465	18.6
92.02580	0.9
93.03377	0.8
93.07031	34.7
94.04176	4.0
94.07382	0.7
95.04958	12.7
95.08592	22.3
96.05750	0.7
97.06518	8.5
97.10141	1.0
99.08084	0.6
103.05479	0.9
105.03362	0.8
105.04505	2.0
105.07009	7.8
107.04928	2.0
107.08579	16.4
108.01463	0.7
108.05748	1.4
109.02838	3.2
109.06509	4.9
109.10134	2.6
111.04440	1.2
111.08094	3.9
114.51328	0.6
117.03341	3.2
117.06998	6.9
119.08558	2.8
121.02840	2.2
121.06478	4.5
121.10135	8.6
122.03658	4.0
123.04427	6.5
123.08051	1.3
124.05226	2.8
125.05965	0.7
125.09590	1.3
129.07014	0.7
130.07822	0.8
131.08556	8.2
132.08813	0.6
133.10110	10.0
134.03607	0.8
135.04454	3.5
135.08086	3.0
135.11670	17.7
137.02309	7.7
137.05933	1.0
137.09631	0.6
139.07526	3.7
139.11157	1.7
145.02840	5.4
149.05989	3.0
149.09595	1.1
149.13245	10.3
149.97212	0.9
151.03891	18.4
151.11143	1.2
152.04668	16.1
153.05458	0.6
153.09103	0.7
154.02567	2.2
155.07011	4.8
159.11674	9.4
163.03899	1.7
163.11137	0.8
165.05400	1.5
165.06909	4.3
166.07822	0.7
167.07022	1.2
167.08484	1.2
172.98912	0.7
176.78949	0.6
177.05421	9.5
177.09050	0.8
177.12714	6.0
180.04141	1.9
180.09348	3.0
183.02864	5.4
188.13483	0.6
195.02902	5.2
195.06508	100.0
195.11656	4.5
195.13774	8.9
195.15628	1.3
195.17323	3.5
196.06856	4.7
196.14093	0.7
196.16936	0.8
198.03523	1.2
198.05214	15.3
207.47942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03938	3.6
55.05500	0.7
57.03413	0.8
63.02371	0.7
65.03915	2.3
66.04699	2.4
67.05480	1.8
68.63132	0.5
69.03368	0.7
69.07034	0.9
69.30066	2.8
69.30488	4.3
74.76254	0.6
77.03922	0.9
78.04685	0.8
79.05483	5.9
81.03371	1.6
81.07034	1.9
85.02880	2.5
89.03371	0.7
89.03903	15.2
91.05445	2.8
92.02629	0.8
93.03394	1.2
93.07018	2.0
94.04176	4.5
95.04954	8.0
95.08605	1.2
96.05722	0.8
103.05450	1.6
105.03394	1.0
105.04514	0.6
106.04164	1.3
107.04939	2.8
107.08556	1.5
108.05686	1.6
109.02854	2.9
109.06496	3.0
111.04408	1.0
117.03365	28.8
118.03692	1.1
120.57860	0.5
121.02830	2.0
121.06497	1.4
121.10104	1.4
122.03633	3.8
123.04430	6.1
124.05174	4.3
125.05984	1.1
126.03056	0.8
133.02805	0.8
134.03615	4.3
135.04398	6.0
135.07997	1.0
137.02301	6.0
137.05989	1.4
139.07520	2.4
145.02823	51.1
146.03117	1.0
147.96788	0.6
149.05954	12.8
150.03113	0.8
151.03888	18.2
152.04671	13.7
153.05388	1.7
154.02638	1.4
155.07024	3.5
160.19659	0.5
162.03108	1.3
163.03864	5.8
165.05385	1.0
165.06616	1.7
167.03435	1.2
167.07025	1.5
177.05438	55.7
177.16405	0.6
178.05791	2.1
180.04170	2.1
183.02875	3.7
186.05453	1.0
195.02802	2.1
195.06503	100.0
195.07840	3.6
196.06894	2.5
198.05231	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	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02370	0.5
53.00296	0.8
53.03942	2.3
54.49765	0.4
55.01859	2.1
55.05492	0.9
57.03430	1.1
65.03935	1.3
67.05494	1.5
69.03407	0.7
69.07053	1.0
69.76534	1.7
69.76941	1.0
71.04974	0.6
77.03916	0.7
78.04706	1.8
79.05482	15.5
81.03386	0.7
81.07036	2.6
83.04968	0.6
83.08590	0.4
84.08089	0.4
85.02901	1.1
89.03903	9.2
91.05466	10.0
92.06258	0.7
92.72466	0.5
93.03395	1.5
93.07034	3.1
94.04169	0.6
95.04948	6.2
95.08587	1.2
103.05449	12.6
105.03384	1.0
105.04533	0.7
105.07014	12.4
106.04185	1.0
107.04940	100.0
107.08575	3.8
108.05260	1.4
109.02885	1.0
109.06505	1.7
110.03614	0.5
111.04400	1.7
115.05438	8.3
117.03368	19.4
117.04207	1.0
117.06969	3.0
118.03699	0.7
119.04938	1.7
119.08553	0.7
120.05713	4.0
121.02840	0.5
121.06485	2.0
121.10121	1.8
122.03619	0.6
123.04393	2.8
123.21736	0.4
124.05218	2.4
125.05954	1.9
131.04932	1.7
133.02826	1.5
133.06477	0.6
133.10117	0.7
134.03622	3.2
135.04411	5.0
135.08034	26.3
135.11610	1.0
136.04959	0.5
136.08423	0.7
137.02318	0.9
137.05899	2.1
139.03865	2.1
139.07497	0.6
145.02827	34.8
145.06534	1.0
145.07594	1.7
146.03177	1.0
147.04384	3.1
148.05112	1.1
149.05959	9.9
149.09616	1.2
151.03874	3.4
151.07492	0.7
152.04678	2.6
152.05823	0.4
153.05441	1.7
154.06224	6.8
155.06992	0.8
162.03008	0.8
162.06839	0.7
163.03867	5.3
163.07523	31.4
164.08023	0.7
165.05437	2.2
165.06670	0.5
167.07024	35.8
168.07362	0.7
177.05447	38.4
177.08984	1.3
177.12637	0.4
177.16374	0.8
178.05754	1.4
180.07805	6.7
183.02992	0.6
186.05492	0.5
195.02913	3.7
195.06499	10.2
195.10141	31.3
196.10440	0.7
198.05205	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
54.13586	0.5
57.03439	1.2
63.02374	0.9
65.03939	0.8
65.71974	0.6
70.76844	1.5
78.04723	0.7
79.05507	2.2
85.02915	2.4
88.81434	0.6
89.03911	27.9
91.05455	3.1
93.03403	0.7
93.07048	1.5
95.04963	1.5
103.05491	1.4
106.04176	2.5
107.04970	1.8
109.06496	0.8
111.04453	1.1
117.03366	48.4
119.04940	1.1
121.02795	0.8
121.06439	1.0
131.05042	0.6
134.03645	9.0
135.04398	8.8
135.08003	0.8
137.05994	0.5
139.07607	0.8
145.02834	86.2
146.03183	0.9
149.05960	22.2
150.06635	0.7
151.03839	1.1
152.04735	1.0
153.05406	1.4
162.03114	2.4
163.03885	8.5
177.05449	100.0
178.05789	0.8
178.10298	0.6
186.05455	1.4
195.02878	3.5
195.06505	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	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03936	0.8
55.01868	0.8
55.05499	0.9
57.03431	0.5
63.02389	0.9
65.03930	0.8
67.05500	0.7
69.03413	0.8
69.07063	0.5
70.74657	1.0
77.03889	0.4
78.04700	1.1
79.05476	2.7
79.55797	0.4
81.03406	1.0
81.07040	1.0
83.04992	0.6
83.31114	0.4
84.05318	0.5
85.02905	1.2
89.03902	23.4
91.05468	2.6
93.03385	1.0
93.07033	1.9
95.04943	2.2
95.08609	1.3
99.08099	0.6
103.05450	1.4
105.03402	0.5
105.07054	0.5
105.95341	0.4
106.04160	2.0
107.04935	2.7
107.08576	1.5
109.02885	0.8
109.06494	1.2
109.10122	0.6
111.04436	0.9
117.03362	45.3
119.04934	0.7
121.06476	1.2
121.10165	1.1
122.03664	0.7
123.04413	1.2
123.13250	0.4
124.05209	1.2
125.06002	0.6
125.09576	0.6
126.39304	0.4
131.08601	0.6
134.03603	7.1
135.04395	8.0
135.11684	0.7
137.02299	1.1
139.07524	0.9
145.02824	87.0
145.44699	0.5
146.03177	1.5
149.05956	21.3
149.09618	0.6
150.06195	0.5
151.03876	3.0
152.04741	2.6
152.05724	0.4
153.05444	0.9
155.06906	0.5
162.03105	2.0
163.03870	10.1
165.05431	0.6
167.07080	0.8
177.05443	100.0
177.16302	0.4
178.05769	1.2
180.04201	0.4
183.02838	0.7
186.05464	2.1
195.02905	2.1
195.06502	19.1
195.10110	0.6
198.05225	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03940	1.1
55.05511	0.8
63.02379	0.9
67.05506	1.3
69.07094	0.5
70.81700	1.4
76.34834	0.4
78.04708	1.0
78.76831	0.4
79.05499	2.1
81.07041	2.2
89.03902	29.0
90.04256	0.5
91.05470	3.9
93.03414	0.8
93.07029	3.2
95.04967	2.1
95.08576	2.5
103.05463	2.1
106.04144	2.7
107.04950	1.3
107.08583	1.3
111.04446	1.1
117.03360	51.9
118.03711	1.0
119.04910	0.5
121.02797	0.7
121.06498	2.0
121.10149	0.7
124.05223	0.8
131.08571	1.0
134.03609	9.0
135.04405	8.5
135.08032	0.5
135.11665	2.4
145.02826	90.8
146.03206	1.8
149.05957	26.7
149.13205	1.0
151.03969	0.6
158.05974	0.7
162.03113	2.0
163.03874	8.9
177.05443	100.0
177.12642	0.9
178.05739	2.6
186.05484	3.3
195.02908	0.7
195.06479	5.4
195.08096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	0.9
55.05499	0.5
57.03438	0.8
60.31183	0.4
61.65508	0.5
63.02355	1.1
65.03933	2.6
66.04710	1.6
67.05494	1.5
68.99789	0.9
69.03407	0.6
69.07054	0.8
69.64143	3.2
69.64558	1.2
77.03913	0.8
78.04690	1.7
79.05479	6.4
81.03393	1.1
81.07041	3.5
83.04983	0.6
85.02894	2.1
89.03902	29.1
91.05470	3.9
93.03378	3.1
93.07026	2.2
94.04164	3.0
95.04955	5.4
95.08542	1.2
97.06498	0.6
103.05441	1.4
105.03359	1.0
105.04474	0.5
105.07054	0.8
106.04173	1.6
107.04932	4.3
107.08553	1.7
108.05692	0.9
109.02847	2.1
109.06499	2.0
109.10120	0.5
111.04426	4.4
117.03359	52.2
121.02836	1.9
121.06502	1.9
121.10091	1.4
121.12650	0.5
122.03624	2.8
123.04406	4.3
124.05216	2.6
125.05961	4.8
133.02843	1.0
134.03606	8.3
135.04385	9.2
135.11667	1.3
136.73314	0.5
137.02296	3.7
137.05922	1.1
139.07489	2.4
145.02817	91.1
146.03094	0.9
149.05952	21.3
151.03877	10.7
152.04678	9.1
153.05473	8.4
154.02592	1.0
155.06970	1.9
162.03064	1.9
163.03867	10.3
165.05457	1.2
165.06676	1.0
167.07002	0.8
177.05438	100.0
178.05772	1.8
180.04121	1.5
183.02878	3.2
186.05495	2.8
195.02924	2.8
195.06496	63.0
195.17265	0.5
196.06799	1.1
198.05206	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	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.90837	0.6
53.03935	2.1
55.01859	1.5
55.05245	0.8
55.05503	14.1
57.03425	5.3
57.07067	3.3
59.04985	2.0
65.03912	1.7
67.05146	1.1
67.05495	19.2
69.03423	3.9
69.07059	17.5
69.44968	2.5
69.45392	3.6
71.04984	4.4
71.08604	1.0
79.05480	15.1
81.03400	10.6
81.07043	38.5
83.04964	5.0
83.08598	7.4
85.06523	2.8
89.60059	0.6
91.05468	24.7
93.07030	28.9
95.04954	9.6
95.08589	41.6
97.02879	0.9
97.06509	5.2
97.10138	1.3
99.08088	3.9
103.05407	3.1
104.06184	1.1
105.03370	1.5
105.07013	55.7
106.07348	1.6
107.04927	2.1
107.08576	40.2
109.06497	5.2
109.10141	27.2
110.10471	0.7
111.08101	3.6
115.05447	2.1
117.06982	2.7
118.04131	1.0
119.04935	1.8
119.08562	100.0
120.08905	2.4
121.06446	1.1
121.10125	19.2
121.10990	1.3
121.20831	0.8
122.03640	2.5
123.04410	1.8
123.08056	6.3
123.11671	8.3
125.09626	2.0
129.06963	1.6
131.08543	6.5
132.34656	0.7
133.01906	1.2
133.02838	14.0
133.06488	6.9
133.10109	84.2
134.10461	2.6
135.11670	20.2
137.02347	0.7
137.05980	4.6
137.09593	8.3
137.13260	0.8
145.10104	4.2
146.10880	1.9
147.04417	3.1
147.08063	1.3
147.11659	23.7
149.02342	1.1
149.05949	1.3
149.13235	9.6
150.03163	1.6
151.03870	3.2
151.11148	2.1
151.14822	1.0
157.10071	1.8
160.12424	2.9
161.02342	0.9
161.04802	0.9
161.05952	4.5
163.14822	2.3
165.05452	2.6
165.07024	2.5
165.16440	1.0
173.13239	1.8
175.03833	1.2
175.07483	1.0
175.14798	95.2
176.15179	3.4
178.02570	8.0
193.04944	36.5
193.08589	6.1
193.10352	1.1
193.12218	3.2
193.15846	45.0
194.05269	2.3
194.16183	1.1
203.55728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01858	1.5
55.05505	16.2
57.03413	4.2
57.07063	2.8
59.04990	1.2
65.03905	1.2
67.05495	22.5
69.03410	3.4
69.06703	1.6
69.07056	17.1
71.04969	3.7
79.05482	17.3
79.64658	1.0
81.03400	10.9
81.07042	35.4
83.04966	8.3
83.08613	7.1
85.06512	4.2
88.99040	1.1
91.05463	24.8
93.07030	27.9
95.04951	8.6
95.08591	37.5
97.06515	6.0
97.10155	1.2
98.21458	3.7
99.08068	4.2
103.05445	4.4
105.07014	61.1
107.04931	2.8
107.08575	39.4
109.06487	7.5
109.09423	2.1
109.10138	31.1
111.08052	2.2
115.05438	2.7
117.07012	3.5
119.00500	1.1
119.04919	1.3
119.08562	100.0
121.06460	1.3
121.10118	20.5
123.04421	2.3
123.08044	9.0
123.11678	8.8
131.08554	6.7
133.02815	3.1
133.06479	11.5
133.10109	89.9
135.11670	29.1
137.05991	1.3
137.09579	11.0
145.10095	5.2
146.10887	1.1
147.04370	3.7
147.07986	1.5
147.11656	21.3
149.02397	1.4
149.05983	1.2
149.09602	2.3
149.13232	5.8
150.03160	1.2
151.03856	1.0
151.11143	2.5
151.14780	1.5
157.10060	1.2
160.12437	2.1
161.05989	9.5
163.14780	3.2
165.05437	2.0
165.09042	1.5
165.16406	1.8
167.66740	1.0
175.07529	2.5
175.11180	3.0
175.14798	90.1
176.15128	3.0
178.02574	3.5
193.04955	12.0
193.06558	1.6
193.08556	6.7
193.10689	1.1
193.12213	5.7
193.15858	50.2
194.08138	2.2
199.55882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.97094	1.4
53.03937	2.5
55.01854	1.7
55.05284	1.4
55.05508	16.1
56.03722	1.3
57.03420	4.7
57.07053	4.6
65.03922	1.7
67.05495	24.1
69.03394	2.2
69.07057	16.5
69.61445	4.7
69.61871	6.3
71.04961	5.8
79.05479	16.3
81.03410	10.7
81.07044	40.4
83.04955	4.0
83.08598	5.0
85.06525	4.4
91.05467	28.9
93.07036	29.7
95.04977	8.4
95.08589	43.1
95.33518	1.6
97.06510	4.6
98.21461	1.7
99.08082	9.0
105.06348	2.9
105.07021	58.0
105.07729	2.9
106.07359	1.7
107.04980	1.7
107.08578	42.0
109.06512	8.8
109.10139	27.0
111.08076	3.2
115.05448	2.5
117.07026	4.9
119.08566	100.0
120.08924	2.8
121.06507	1.9
121.10118	21.9
123.04409	2.3
123.08035	8.8
123.11678	8.7
129.06987	2.1
131.08548	8.3
133.02797	2.8
133.06479	4.9
133.10114	90.7
135.08072	2.3
135.11678	21.7
137.05956	3.6
137.09592	11.5
145.10092	5.9
146.10864	1.7
147.07999	2.5
147.11673	28.1
149.13258	13.1
150.03151	2.5
151.11139	2.6
157.10158	3.1
160.12425	1.7
161.05904	2.7
163.14763	2.0
165.05409	1.9
165.16383	2.2
175.11183	6.0
175.14796	96.6
176.15218	1.9
178.02606	8.5
182.92783	1.4
193.04936	28.3
193.08577	4.9
193.12245	4.8
193.15869	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	3.8
55.01855	3.4
55.05505	46.0
57.07053	3.3
59.04972	2.1
65.03919	1.5
66.56857	0.9
67.05496	27.0
69.03403	3.2
69.07059	24.3
71.04990	6.2
71.08192	2.5
79.05482	19.3
81.03426	6.1
81.07045	52.1
83.04970	100.0
83.08603	5.3
84.05305	1.5
85.06523	4.2
86.39249	1.0
89.72329	1.1
91.05468	12.4
93.07030	18.7
95.04966	11.0
95.08002	2.0
95.08592	28.1
96.05269	1.0
97.06493	5.7
99.08059	2.1
103.05460	1.9
105.07019	24.5
107.04958	1.4
107.08585	23.6
109.06510	16.5
109.09406	2.1
109.10140	35.5
111.08051	6.7
111.11677	2.0
115.05458	1.5
117.06992	1.3
118.04104	1.4
119.08562	28.3
121.10129	12.3
123.08060	13.1
123.11684	7.5
125.09613	1.2
131.08542	3.2
133.02835	3.0
133.06496	5.6
133.10114	39.7
134.10435	1.1
135.08044	0.9
135.11667	26.2
137.05972	1.0
137.09601	22.5
137.10635	1.5
147.07922	1.2
147.11674	6.7
149.13245	4.8
151.11156	4.7
161.02379	1.1
161.05930	4.1
165.05417	1.8
175.11243	1.3
175.14812	23.7
178.02527	2.1
178.75113	0.9
193.04929	9.0
193.08553	2.2
193.10202	0.9
193.12193	2.3
193.14124	1.7
193.15866	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03937	2.1
55.01869	1.4
55.05503	9.2
57.07076	4.2
59.04978	1.5
65.03918	0.9
67.05499	12.1
69.03416	1.5
69.06738	1.0
69.07059	11.8
70.06586	0.8
71.04981	1.2
71.65202	1.4
79.05488	8.3
81.03418	5.6
81.07050	11.7
83.04957	2.3
83.08605	4.4
85.06551	2.3
91.05465	19.5
93.07040	12.8
95.04959	5.0
95.08594	25.1
97.06502	1.1
99.08073	1.8
103.05454	4.3
105.03368	1.5
105.07015	40.9
105.07728	1.9
106.07382	1.5
107.04936	2.0
107.08590	11.3
108.03647	0.9
109.06501	3.9
109.10139	23.9
115.05415	4.8
117.06976	4.3
118.04149	2.1
119.04919	1.7
119.08564	72.4
120.08881	2.4
121.06408	1.3
121.10117	7.9
123.08046	4.4
123.11660	2.2
125.08391	0.9
131.04956	1.7
131.08551	5.8
133.02823	5.5
133.06473	15.8
133.10109	97.5
134.10481	1.8
135.08069	1.8
135.11679	23.0
137.05998	2.3
137.09581	9.3
143.06029	1.3
145.10098	6.4
146.03625	1.2
147.04395	1.7
147.08069	2.2
147.11670	23.1
149.02290	1.5
149.13242	6.5
150.03142	1.7
151.14784	5.7
159.11687	1.1
160.05092	1.0
160.12447	3.5
161.02365	1.6
161.05952	14.3
165.05472	2.6
165.09036	1.4
173.13338	1.3
175.03944	1.1
175.07513	2.0
175.14801	100.0
176.15164	2.3
178.02603	4.3
193.04956	13.6
193.08566	9.4
193.12213	3.8
193.15892	19.0
194.07951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03929	1.6
53.30635	0.8
55.01854	0.8
55.05505	11.6
56.96552	0.8
57.07076	1.8
58.77962	0.8
59.04986	1.4
65.03903	1.5
67.05490	9.3
69.03410	0.7
69.07058	26.2
69.51302	1.0
69.51706	5.6
71.04981	14.7
79.05484	8.0
81.03419	1.9
81.07047	21.2
83.08608	3.4
85.06526	11.1
91.05466	7.1
93.06438	1.0
93.07033	26.2
95.04956	32.4
95.08589	16.6
97.06514	2.3
97.10145	8.1
99.08070	4.1
105.07014	10.6
107.08577	30.2
109.06502	100.0
109.10139	15.3
110.06827	1.2
111.08048	5.8
111.11700	2.8
117.06998	0.9
117.79988	0.7
119.08560	25.5
119.09420	1.3
120.65356	1.0
121.10119	9.5
123.08054	5.9
123.11687	18.5
123.12529	1.6
124.12082	0.8
131.08589	1.2
133.10117	24.0
134.10396	0.8
135.11671	30.6
137.09610	12.7
147.07994	0.9
147.11671	5.0
149.13237	8.5
151.03876	0.7
151.11145	5.2
161.05946	1.3
167.01057	0.8
175.11407	1.0
175.14801	35.7
176.15091	1.8
193.04967	4.8
193.08623	1.1
193.10304	1.0
193.12173	2.1
193.15852	50.0
194.16232	1.4
202.07924	1.0
202.09711	0.7
204.90886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01580	1.1
51.38848	1.1
53.03941	6.7
55.01858	3.4
55.05500	8.7
59.05002	1.3
64.25989	1.2
64.29979	1.2
65.03931	2.9
67.05493	37.7
69.07047	7.7
70.22627	5.8
71.04982	11.4
73.82986	1.2
77.03928	1.5
79.05481	64.7
81.03415	17.4
81.07047	30.6
82.15785	1.1
83.04974	9.8
83.08618	4.2
85.06527	4.1
91.05469	95.4
93.07034	100.0
94.07374	1.3
95.04957	24.5
95.08581	6.6
96.74478	1.1
97.02892	1.3
97.06563	2.1
105.04509	2.8
105.07013	44.0
107.04916	7.3
107.08588	6.2
109.06524	7.6
109.10141	2.1
111.04500	1.2
111.08076	1.8
113.05994	1.8
115.05453	2.0
117.06998	2.8
119.04934	1.7
119.08569	17.8
121.06501	1.3
121.10120	1.8
127.07499	1.8
128.06261	1.1
129.06976	18.8
131.08557	25.9
133.06490	4.6
133.10112	92.4
134.10515	2.2
135.11705	2.2
137.05960	1.4
142.07790	4.4
143.67949	1.2
147.08041	5.5
147.11676	19.7
149.09648	1.6
157.10106	20.8
161.05952	2.9
175.11179	18.0
175.14745	2.3
193.04956	6.1
193.08549	2.1
193.10431	1.6
193.12225	24.8
193.15863	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02374	0.6
53.03936	5.2
54.22263	0.5
55.01874	2.8
55.05500	10.7
56.13465	0.4
57.03432	2.5
57.03671	0.5
57.07063	0.7
59.04976	0.5
59.82964	0.5
61.35364	0.4
63.78522	0.4
65.03933	3.0
67.05496	28.0
69.03418	3.9
69.07057	4.4
71.01341	0.6
71.04989	2.4
71.66063	0.6
77.03918	0.4
79.05481	19.0
80.41644	0.4
81.03405	100.0
81.07043	17.2
82.03741	1.3
83.04970	5.8
83.08604	11.1
85.06531	1.7
87.81769	0.4
91.05466	22.3
93.07030	12.1
95.04953	37.4
95.08588	6.9
96.05312	0.7
97.02892	2.3
97.06525	1.6
97.10152	0.8
99.08091	1.5
103.05458	2.6
105.03397	1.1
105.07014	26.1
107.04943	9.3
107.08575	7.3
109.02906	0.4
109.06504	6.0
109.10126	9.0
111.04422	2.0
111.08080	2.3
113.05939	0.5
115.05455	3.3
116.06264	0.6
117.06999	1.9
118.04150	1.4
119.04929	1.4
119.08571	15.6
119.09426	1.0
121.06522	2.4
121.10123	4.8
122.28724	0.5
123.04459	2.5
123.08036	3.2
123.11701	1.7
125.09607	0.9
128.06212	0.7
129.06982	8.3
131.04906	1.1
131.08548	6.5
133.02849	3.6
133.06474	11.9
133.10101	12.8
135.08052	1.3
135.11670	4.7
137.05959	2.1
137.09605	5.5
142.07744	2.2
145.10118	0.8
147.04361	1.3
147.08022	4.6
147.11662	6.8
149.02332	1.6
149.05951	0.8
149.09627	4.4
149.13254	1.5
150.03044	0.7
151.03882	0.6
151.11200	1.9
151.14838	0.6
157.10112	5.3
161.05949	7.7
165.05469	2.6
165.12788	1.1
165.16414	0.6
175.03894	1.1
175.07555	0.9
175.11165	8.1
175.14792	7.0
178.00960	0.9
178.02626	2.9
186.21555	0.5
193.03275	1.0
193.04948	12.9
193.06891	1.0
193.08556	6.2
193.10295	0.9
193.12199	12.6
193.15858	11.6
194.05432	0.6
194.15387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.12118	0.5
51.02371	1.0
53.03707	1.0
53.03940	8.2
55.01862	2.3
55.05501	8.4
56.47927	0.6
57.03431	0.8
59.04991	0.9
65.03933	2.2
67.05495	26.9
69.03418	1.1
69.07058	7.1
71.04980	10.5
73.06548	1.1
77.03919	1.3
79.05481	54.8
81.03405	10.9
81.07048	23.4
83.04974	7.5
83.08624	3.0
85.06535	3.5
91.05466	100.0
92.05809	1.6
93.07030	99.6
93.39067	0.6
94.07377	1.1
95.04955	24.8
95.08604	2.6
96.05279	0.7
97.06531	2.6
103.05448	1.8
105.04510	3.0
105.07014	42.8
105.95633	0.6
107.04943	3.1
107.08565	4.3
109.06513	6.2
109.10114	1.7
111.08061	1.3
113.06017	3.1
115.05429	2.5
116.87381	0.7
117.07021	1.5
118.07776	0.8
119.04913	0.9
119.08563	18.6
121.06494	0.7
121.10129	2.0
123.08060	1.1
127.07532	1.3
128.06203	1.4
129.06990	16.5
131.08546	24.8
133.02782	0.9
133.06485	5.4
133.10109	95.0
134.10481	2.1
135.08018	1.0
135.11737	0.8
137.05994	1.1
137.09592	1.4
142.07770	3.7
145.10136	1.2
147.08041	6.4
147.11667	20.6
149.09618	2.2
151.07510	0.8
151.11110	1.1
157.10104	20.7
161.02475	0.8
161.05972	2.1
165.05492	1.0
165.09093	0.7
168.21408	0.6
175.11168	19.5
175.14835	0.8
178.02579	0.9
178.07790	1.5
193.04930	7.1
193.08565	2.7
193.10213	2.1
193.12216	18.1
193.15910	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02391	0.5
53.03928	1.5
55.01860	4.4
55.05519	1.1
57.03410	0.7
57.07096	0.7
59.05006	0.9
65.03922	1.1
67.05486	2.0
69.03397	1.0
69.07049	0.9
70.06581	0.7
70.12393	0.5
71.04982	0.9
71.05563	0.6
71.05880	1.0
77.03897	0.6
77.07784	0.6
79.05482	12.8
81.03399	1.9
81.07061	2.4
81.76057	0.5
83.04963	1.2
85.06535	0.4
89.03902	0.5
90.04678	1.0
91.05471	9.1
92.02611	0.7
93.07043	2.3
95.04942	4.6
95.08588	1.9
97.02831	0.6
97.06532	0.7
103.05452	19.0
104.06252	1.2
105.03391	1.8
105.07014	100.0
106.07359	1.8
107.04966	2.0
107.06072	0.6
107.08556	2.2
109.06525	2.5
109.10152	1.5
115.05436	19.9
116.41792	0.5
117.03347	0.5
117.07049	0.6
118.04145	11.5
119.04917	1.6
119.08560	4.6
121.06490	1.1
121.10143	0.7
122.03625	0.9
123.04414	1.0
123.08038	0.9
125.49666	0.5
131.04919	4.8
131.08566	0.6
132.05713	2.2
133.02846	9.4
133.06470	88.1
133.10068	4.1
134.03166	0.6
134.06796	2.6
135.11674	1.3
137.05960	3.6
137.09587	1.1
143.04883	1.8
143.06033	6.4
146.03661	0.9
147.04405	4.0
147.08009	1.5
147.11638	2.4
149.05972	2.1
149.13211	0.6
150.03122	2.1
150.06718	0.8
151.03912	0.7
151.07582	1.0
151.11127	1.1
157.10088	0.6
160.05199	0.8
161.02351	1.6
161.05957	84.5
161.34985	0.5
162.06277	2.4
165.01700	0.9
165.05441	2.5
165.07489	1.0
165.09064	1.0
175.03894	1.9
175.07549	0.8
175.11171	1.2
175.14799	2.2
176.03423	0.5
178.02574	4.8
178.06247	1.1
193.01283	0.9
193.04947	18.2
193.06816	3.1
193.08597	13.9
193.10536	0.9
193.12119	3.1
193.15860	3.2
194.08134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	3,4-Dehydro-6-hydroxymellein
Peak:m/z	Relative Intensity
53.03937	1.5
55.01860	2.3
55.05494	1.8
56.96564	1.1
57.07053	0.7
59.06100	0.7
60.67954	0.5
61.56150	0.5
62.28758	0.6
63.45444	0.5
63.83155	0.5
65.03930	1.6
65.04270	0.5
67.05489	2.2
69.03409	1.3
69.07055	1.0
69.43417	2.4
69.43844	2.7
70.06583	0.9
77.03908	1.5
79.05490	5.7
81.03395	1.3
81.07040	2.8
83.04989	1.2
83.06113	0.8
84.88988	0.5
87.05576	0.8
89.03864	0.6
91.05467	15.1
92.05772	0.6
93.07022	2.1
95.04955	4.5
95.08591	2.0
97.02883	0.6
97.06516	0.7
97.07629	0.6
98.21430	1.1
99.18188	0.5
102.04671	2.0
103.05453	74.6
104.05758	1.0
105.03371	1.8
105.04546	0.7
105.07009	5.6
107.04934	2.4
107.08570	1.5
108.05582	0.6
108.77399	0.6
109.02853	0.7
109.06491	3.1
109.07646	1.2
109.10130	1.8
110.07169	0.6
111.08064	0.8
115.05415	0.6
117.07018	0.7
118.04118	1.0
119.04927	20.9
119.08543	3.8
121.07608	0.5
121.10132	1.5
122.07146	0.6
123.04420	8.6
123.08046	1.4
126.73178	0.5
129.03352	3.4
130.04126	1.5
131.04909	44.2
132.05220	0.6
133.02827	5.0
133.06459	4.6
133.10104	2.2
135.04349	1.0
135.11673	1.8
137.02335	2.8
137.05966	4.9
137.09627	1.0
147.04385	100.0
147.11670	2.0
148.05164	3.4
149.02321	0.8
149.05957	8.9
149.09599	0.7
150.03160	1.3
151.03896	2.3
151.07486	0.7
151.09766	0.6
151.11134	1.3
152.08214	0.7
157.02831	1.6
161.05954	3.2
162.06786	0.7
165.01822	1.0
165.05455	37.3
166.05850	0.9
175.03880	31.4
175.07487	1.5
175.11224	1.1
175.14879	1.3
176.04280	0.5
176.11784	0.7
178.02641	3.3
193.01263	1.0
193.04944	32.2
193.08467	4.0
193.10748	1.0
193.12268	2.2
193.14223	0.6
193.15855	2.6
194.06705	1.0
194.11864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.85370	1.5
55.05501	16.5
57.07052	4.8
63.10090	1.6
67.05496	17.4
69.07055	41.3
69.35014	5.6
69.35448	9.9
79.05478	15.6
81.07042	19.7
83.04950	1.5
83.08603	17.1
91.05465	14.5
93.07030	51.2
95.04940	2.6
95.08594	77.5
97.06486	3.0
97.10155	11.1
105.07014	13.2
107.08580	56.2
108.08838	1.6
109.06518	3.4
109.09422	3.0
109.10141	48.3
117.06951	3.9
119.08570	7.9
121.06502	3.1
121.10127	78.2
123.11682	8.3
131.08554	15.0
133.10092	6.7
135.08086	10.0
135.10629	3.0
135.11679	60.3
141.53345	1.6
145.10100	5.1
147.11655	9.4
149.13229	15.5
163.07501	2.0
163.11168	3.5
163.14795	2.6
164.07097	1.7
173.09610	2.7
173.13246	16.3
177.14023	1.6
191.03345	2.6
191.06992	4.9
191.10616	8.6
191.14304	22.5
191.17920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01855	6.1
55.05494	7.3
56.05017	3.6
56.96559	100.0
57.03418	7.3
57.07067	4.9
60.04522	2.3
60.95838	4.8
61.02913	4.3
65.03935	6.3
67.05502	12.7
67.05795	2.0
69.03418	16.5
69.07063	2.8
70.06588	18.4
71.01337	3.0
71.04972	5.4
71.63094	2.9
71.95249	3.6
72.08141	2.5
73.02905	7.5
73.10054	2.2
74.97597	3.7
77.03905	3.8
79.04618	2.1
79.05469	14.6
81.03411	10.4
81.07040	11.7
83.01315	2.6
83.04972	7.1
83.06085	2.8
83.08627	4.4
84.96018	7.7
85.02901	15.9
87.04449	2.3
91.05459	23.6
93.07025	10.4
94.04128	4.8
95.04956	13.2
95.06051	2.8
95.08580	6.2
97.02905	14.9
97.96749	3.4
98.03541	2.5
98.06027	4.7
98.97588	23.2
99.04423	2.6
100.01788	2.1
103.05473	13.6
104.01314	2.6
105.03373	11.3
105.07011	23.2
106.06593	2.7
106.79878	2.1
107.04956	11.2
107.06104	2.3
107.08569	4.3
109.02858	5.5
109.06497	9.0
109.07613	3.0
109.10132	7.0
110.07161	2.5
110.97552	10.9
111.04386	4.5
111.53616	6.8
112.07591	10.3
113.03584	3.7
115.02322	3.6
115.05431	4.8
116.98615	33.2
118.03443	2.3
118.04181	2.4
119.00146	4.1
119.04946	11.1
119.08570	16.2
121.01516	2.5
121.05110	5.1
121.06483	9.1
122.03625	9.4
122.06017	2.6
123.04431	10.3
123.08060	7.3
124.07565	5.3
125.06017	3.4
125.06963	4.5
126.05378	3.1
127.03899	3.1
128.98586	24.6
129.05447	3.5
130.08575	5.4
131.00160	3.6
131.04903	6.6
133.02837	55.5
133.06494	17.4
133.10115	11.5
134.07021	3.1
134.99652	23.4
135.04404	8.2
135.11711	3.3
136.06163	15.0
136.07596	3.3
136.08580	3.4
137.02327	2.2
137.05963	57.1
137.09558	3.2
138.06328	5.8
139.03926	3.8
143.00140	5.2
143.04916	2.5
144.05077	2.4
145.01718	2.8
146.97418	3.1
146.99622	35.3
147.04396	26.1
147.08002	7.3
147.11646	4.2
148.06186	3.5
149.01170	5.3
149.02338	6.0
149.04652	4.1
149.05957	12.1
150.01387	3.8
150.03082	5.1
150.10257	2.5
151.03879	3.9
151.07466	4.8
152.07018	3.8
153.00639	4.8
155.00195	3.4
155.08157	3.2
158.06630	15.6
158.99654	4.1
159.04494	2.5
161.01253	10.1
161.05972	15.2
162.06216	2.4
162.99118	2.9
163.02776	3.2
163.03990	2.7
165.00694	5.2
165.05438	21.9
165.09079	2.8
166.06157	4.2
167.06975	2.9
170.01196	2.6
170.06625	4.2
170.99625	3.2
173.01230	6.7
173.08125	3.0
174.04369	6.5
175.01512	4.2
175.03941	9.0
175.07394	4.4
175.08711	2.6
175.10989	2.7
175.14844	4.2
176.03381	3.5
176.05751	3.7
176.07611	14.6
177.00696	5.0
178.00885	6.1
178.02585	13.2
178.03899	2.6
182.52570	3.1
186.04370	4.5
188.07617	12.6
189.00711	6.1
193.00114	2.7
193.01682	3.2
193.03168	7.3
193.04903	70.6
193.08304	16.1
193.09703	5.9
193.10638	3.2
193.12268	6.5
193.15898	14.7
194.05534	2.3
194.08096	7.0
202.05334	3.7
204.05475	6.4
207.01587	4.2
211.02756	6.9
211.09373	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03930	2.5
55.05503	19.0
57.07059	3.2
65.03920	1.1
67.05152	1.5
67.05495	19.3
69.03410	3.8
69.07059	45.5
71.05011	1.7
71.08604	1.3
79.05475	20.7
81.06563	1.1
81.07050	22.3
83.04971	1.6
83.08597	16.5
91.05464	16.0
93.07033	62.0
94.07308	1.4
95.04941	4.3
95.08593	87.8
97.06511	2.1
97.10143	9.1
98.20741	2.5
103.05444	3.7
105.07017	16.3
105.25442	1.0
107.04942	3.7
107.08578	72.0
109.06521	5.4
109.10139	53.1
109.10889	2.6
111.11712	2.0
117.06986	3.4
119.08572	9.0
121.06495	3.7
121.10124	85.2
121.42529	1.0
122.10432	2.4
123.08031	2.7
123.11693	9.8
126.66528	1.2
129.07002	1.6
130.07765	1.1
131.04910	1.7
131.08537	9.0
133.10121	13.3
135.04323	1.1
135.08038	10.2
135.11678	66.5
143.08574	2.6
145.06416	2.0
145.10100	11.7
147.11678	5.6
149.09599	4.4
149.12135	1.8
149.13248	18.6
158.10922	2.2
161.05800	1.1
163.03871	1.5
163.07491	4.7
163.11194	2.7
163.14807	2.7
173.09604	2.4
173.13239	12.4
191.03389	2.7
191.06950	7.1
191.10571	6.5
191.14297	25.2
191.17918	100.0
192.18246	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	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.54285	1.2
53.03924	1.6
55.01849	1.4
55.05506	21.4
55.06479	1.1
57.07051	5.4
59.05049	1.1
65.03922	2.9
66.34306	1.3
67.05497	20.1
68.99773	1.3
69.03401	5.1
69.07058	44.1
69.63261	5.8
69.63686	3.9
71.04960	3.1
71.08592	1.7
77.03903	2.0
78.46207	1.3
79.05480	24.4
81.06625	1.9
81.07052	26.8
83.04959	3.1
83.08608	21.3
91.05466	21.6
93.07032	67.5
94.07358	1.4
95.01243	1.3
95.04953	6.7
95.08594	88.8
97.06507	2.9
97.10155	13.5
103.05455	2.2
105.07024	19.6
107.04929	5.5
107.08578	83.8
109.02885	1.6
109.06497	6.5
109.10141	56.0
111.11662	3.7
115.05430	3.0
117.07003	6.3
119.04930	1.5
119.08546	9.2
121.06477	6.1
121.10126	100.0
122.10468	1.7
123.08030	4.3
123.11687	9.6
129.06972	2.2
130.07761	1.1
131.04861	1.5
131.08559	16.5
133.10103	12.9
135.04366	3.0
135.08055	12.8
135.11676	71.0
143.08519	3.1
145.03987	1.4
145.06462	3.1
145.10110	9.9
146.05994	1.6
147.04221	1.8
147.11714	6.6
149.05849	1.8
149.09578	4.7
149.13242	20.8
151.16417	1.3
158.10869	3.8
160.05054	1.9
161.09618	2.5
163.03882	4.0
163.07491	2.5
163.11157	5.2
163.14790	4.6
173.05966	1.8
173.09619	4.3
173.13260	12.2
191.03357	5.9
191.06953	14.0
191.08955	2.2
191.10616	16.5
191.14278	32.9
191.17921	82.3
192.06479	2.1
192.18210	1.8
205.51529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03928	2.0
55.01851	2.0
55.05502	18.8
57.07051	6.0
67.05489	22.4
69.03407	4.5
69.07056	44.0
69.27151	1.9
69.27476	17.9
71.04961	2.1
71.14777	1.2
76.80057	1.2
79.05489	26.4
81.07045	26.7
83.04957	5.9
83.08615	17.3
83.42094	1.2
85.06539	1.6
91.05471	21.0
93.07030	65.5
94.07344	1.4
95.04942	5.6
95.08591	79.5
96.43042	1.5
97.06520	2.7
97.10149	11.1
103.05419	2.2
105.07001	19.4
107.04938	5.7
107.08575	78.2
109.06512	6.8
109.10139	52.8
111.08096	1.4
111.11723	1.7
115.05406	2.6
117.07032	6.6
119.08566	8.9
121.06502	4.7
121.10123	100.0
122.07207	1.5
122.10475	1.7
123.08038	3.4
123.11672	10.9
129.06993	1.8
130.07753	2.8
131.04865	2.0
131.08560	13.5
133.06564	1.8
133.10100	14.3
135.04399	9.1
135.08034	16.9
135.11670	71.1
136.12097	1.6
137.09535	1.8
143.08551	2.3
145.06453	3.3
145.10078	13.5
145.93546	1.6
146.05981	1.9
147.04332	2.3
147.08018	2.0
147.11658	5.7
149.05952	2.7
149.09592	5.7
149.13248	19.5
158.10893	3.8
160.05026	1.6
161.09535	1.5
163.07532	2.3
163.11140	6.2
163.14804	3.9
173.09605	6.7
173.13226	12.5
175.51453	1.4
176.08249	2.3
189.73969	1.5
191.03349	4.2
191.06953	12.1
191.10611	25.6
191.14294	35.9
191.17923	77.5
192.06468	3.5
192.10320	2.0
200.40334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05253	1.5
55.05502	24.6
57.07072	7.2
63.11563	1.2
65.03937	2.1
67.05498	19.7
69.03410	5.1
69.07058	51.7
70.07362	1.3
71.04985	1.8
71.15057	2.3
71.15433	2.7
79.05483	22.8
81.03381	1.9
81.07046	29.7
82.21547	1.2
83.04961	2.5
83.08611	18.9
85.20641	1.3
91.05465	19.1
93.07033	61.8
95.04954	6.1
95.08592	80.4
96.08952	1.3
97.06514	3.3
97.10157	13.2
103.05450	2.2
105.07020	15.0
107.04948	3.6
107.08581	82.4
108.08897	1.4
108.93739	1.2
109.06512	7.1
109.10140	55.9
111.11720	1.3
115.05486	1.7
117.06984	7.0
119.06116	1.3
119.08601	7.9
120.08923	1.3
121.06487	5.1
121.10130	100.0
122.10394	1.3
123.08049	3.5
123.11712	9.8
131.04898	2.3
131.08549	13.5
133.10146	12.5
135.08058	13.5
135.11673	80.4
136.12009	1.9
136.73184	1.2
143.08597	1.5
145.06447	1.6
145.10103	13.7
147.08090	1.5
147.11667	7.3
149.09586	6.4
149.13243	23.1
158.10875	1.6
158.48311	1.3
161.09625	2.0
163.03871	2.9
163.07501	3.4
163.11194	2.3
163.14769	4.3
169.03481	7.9
173.05983	2.4
173.09554	4.1
173.13243	13.2
176.04649	2.1
191.03337	4.6
191.07001	11.0
191.08698	2.3
191.10594	11.5
191.14299	43.2
191.17928	90.4
192.06482	1.8
192.18216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01850	2.7
55.05500	7.8
57.03418	4.9
57.07065	2.4
59.04975	3.0
65.03941	2.0
67.05495	15.5
67.22283	1.2
69.03409	5.6
69.07060	18.1
70.09525	7.2
71.04990	11.0
74.95614	1.3
79.05486	14.7
81.07040	15.9
83.04959	5.8
83.08593	4.4
85.06539	3.9
91.05470	31.8
93.07028	22.9
95.04956	24.4
95.08584	17.7
97.06509	7.4
103.05441	8.3
105.03387	1.4
105.07014	58.1
107.04935	5.1
107.08576	47.0
107.09115	1.0
109.06487	13.0
109.10143	15.3
111.08033	2.2
115.05442	4.0
116.06180	2.7
117.07002	10.9
118.04148	1.9
118.07788	1.3
119.04893	2.4
119.08560	36.5
121.06526	6.4
121.10123	39.5
122.10487	1.9
123.08015	8.8
123.11684	7.4
129.06961	8.6
130.07765	4.2
131.04913	8.2
131.08546	52.0
133.02802	1.8
133.06438	1.5
133.10109	87.8
135.04391	1.6
135.08034	22.1
135.11699	7.6
136.08829	2.6
143.08528	15.2
144.09332	8.2
145.06487	2.8
145.08960	2.8
145.10100	47.7
147.08032	2.2
147.11656	24.1
148.05142	3.5
149.09605	22.6
149.13235	45.0
150.10345	1.8
150.25475	1.2
152.06097	1.3
158.10884	28.0
161.06009	1.4
163.03896	3.5
163.07487	8.2
163.11101	6.3
163.14809	4.3
171.11665	2.5
173.13234	100.0
176.04672	3.2
176.11879	1.5
191.03372	5.2
191.06982	14.3
191.10680	6.2
191.14282	77.0
191.17940	3.6
192.14645	1.8
203.49689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05499	5.4
57.03405	1.2
65.03917	1.0
67.05497	7.0
67.55431	0.9
69.03403	3.4
69.07048	3.7
69.81063	5.5
71.04984	1.7
79.05492	9.6
80.86224	1.0
81.07044	15.4
83.04961	2.1
83.08579	1.4
85.06508	1.8
86.64046	1.0
91.04931	1.6
91.05468	26.0
93.07031	15.7
95.04945	3.7
95.08578	11.2
97.06509	3.4
103.05431	5.1
105.03350	1.2
105.07011	94.0
107.04946	2.4
107.08571	16.4
109.06488	3.4
109.10119	4.3
111.08033	1.6
115.05437	3.7
116.06234	5.5
117.07006	16.6
118.04169	1.1
118.71055	1.0
119.08556	31.1
121.06494	5.2
121.10123	11.7
123.07969	1.4
123.11721	1.6
128.06194	2.2
129.06973	15.8
130.07784	6.4
131.04941	4.9
131.08546	100.0
133.10103	17.8
135.04413	1.7
135.08028	6.5
135.11656	2.8
143.08553	14.4
144.09320	12.5
145.06451	2.5
145.10101	70.9
146.10452	1.5
147.11659	62.4
148.05101	1.4
149.09612	9.3
149.13226	9.2
156.09323	1.6
158.10864	14.2
160.12468	1.6
161.13240	3.4
163.03857	3.2
163.07495	1.8
163.11168	2.5
163.14803	2.0
171.11673	1.3
173.13235	65.8
174.13576	2.2
176.04610	1.5
177.04207	1.2
191.03337	3.6
191.06975	8.1
191.10632	3.9
191.14275	71.3
192.06589	1.7
192.14577	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.15396	1.5
53.03935	1.7
55.05502	7.7
57.07038	1.7
59.04980	1.6
61.16140	1.5
64.79919	1.4
67.05502	8.2
67.17616	1.4
69.03407	6.7
69.07063	10.6
69.85935	4.9
69.86367	4.5
71.04973	3.6
79.05487	12.1
81.07056	14.3
83.04964	5.4
83.08604	5.5
85.06519	1.6
91.05468	27.1
93.07031	20.4
95.04942	5.2
95.08591	14.3
97.06499	10.2
97.10154	2.1
98.20684	1.6
103.05429	5.0
105.07018	70.1
107.04966	2.8
107.08590	26.9
109.06509	7.8
109.10110	7.3
111.08022	2.9
115.05437	5.0
116.06201	2.8
117.06994	13.5
119.08569	25.5
120.08067	1.5
121.06502	8.4
121.10120	17.6
123.08035	6.1
128.06143	1.4
129.06989	8.5
130.07796	4.3
131.04887	5.6
131.08549	69.4
133.06454	1.6
133.10114	100.0
135.04341	2.5
135.08049	15.6
135.11673	5.3
143.08543	12.5
144.09329	4.6
145.06456	2.9
145.10109	42.3
147.11664	33.4
148.05162	3.4
148.08795	1.9
149.09616	11.0
149.13239	12.8
158.10875	16.5
159.07964	3.3
161.13191	2.5
163.03850	2.4
163.07515	4.4
163.11145	2.6
163.14771	3.3
172.88069	1.5
173.06007	1.6
173.09714	2.3
173.13242	70.3
176.04675	2.6
191.03328	2.4
191.06989	10.9
191.10614	4.9
191.14282	68.6
192.14619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.7
55.01847	3.0
55.05500	8.0
57.03417	2.1
57.07064	2.2
67.05508	8.6
69.03419	23.4
69.07072	18.2
69.71056	11.8
71.04968	2.4
76.48846	1.7
79.05491	14.0
79.44805	1.8
81.07049	15.6
83.05007	8.8
83.08618	2.9
85.06568	2.4
89.13217	1.5
91.05466	22.7
93.07030	19.5
94.48957	1.8
95.04948	4.6
95.08603	17.9
97.06504	6.7
103.05490	8.9
105.07018	39.3
107.04916	6.5
107.08584	29.4
109.06498	12.6
109.10143	5.1
111.08070	5.7
115.05457	3.3
117.03342	1.6
117.06992	8.2
119.08562	32.5
121.06488	9.2
121.10135	21.0
123.08035	9.7
123.11628	1.8
129.06956	5.9
131.04897	4.3
131.08557	33.7
133.10117	30.9
135.08040	26.7
135.11664	5.8
143.08521	6.8
145.06479	4.1
145.10127	23.1
147.07974	2.4
147.11673	17.9
148.05191	3.4
149.09598	43.5
149.13220	13.6
158.10861	9.9
161.09502	2.1
163.07465	6.5
163.11151	5.3
163.14833	5.0
173.09691	2.4
173.13240	43.6
176.04572	1.8
176.11914	3.0
191.03346	4.0
191.07008	11.9
191.10675	9.4
191.14282	100.0
192.14630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03931	2.2
55.01842	1.2
55.05510	5.3
57.03417	1.2
57.07060	1.0
65.03934	1.4
67.05492	7.8
69.03419	24.7
69.07060	15.4
71.04978	2.8
71.62755	1.6
77.03917	0.9
79.05475	16.3
81.07044	13.4
83.04968	8.4
83.08588	3.1
85.06516	2.8
87.54528	0.8
91.04928	1.5
91.05470	23.8
93.07027	15.7
95.04959	4.2
95.08587	16.1
95.71014	0.9
97.06528	5.1
103.05469	4.8
104.70495	1.0
105.07020	36.1
107.04945	7.3
107.08582	28.9
109.06496	10.8
109.07651	1.0
109.10134	2.7
111.08054	5.7
115.05439	2.9
116.06192	2.0
117.07027	9.9
119.08566	35.1
121.06495	8.4
121.10126	26.0
122.56121	0.8
123.08040	9.1
129.07010	5.7
130.07736	2.9
131.04884	4.9
131.08553	53.9
132.08859	1.9
133.06496	1.3
133.07538	0.9
133.10110	16.9
135.04442	1.1
135.07048	1.8
135.08037	27.7
135.11649	6.5
136.08766	1.0
137.09579	1.4
143.08560	5.6
144.09286	2.3
145.06508	7.1
145.10101	31.2
147.07997	4.1
147.11665	11.9
148.05180	1.2
148.08737	1.1
149.05919	2.3
149.09601	60.4
149.13202	8.2
150.10254	2.6
158.10899	8.0
161.09566	2.4
163.03864	1.6
163.07491	3.4
163.11179	4.9
163.14818	3.5
173.09703	4.3
173.13239	31.5
174.13666	1.0
176.04669	1.0
176.11942	2.6
191.03339	2.4
191.06870	4.9
191.10660	18.8
191.14282	100.0
192.14632	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.72781	2.0
53.03928	2.5
55.05495	7.9
57.07054	3.4
58.78888	1.8
59.04998	2.6
65.03934	2.1
67.05492	11.2
69.03422	11.7
69.07061	15.1
71.04993	4.8
71.10502	3.3
71.10856	3.5
77.54248	1.8
79.05477	12.6
81.07051	16.0
83.04961	9.0
83.08597	5.5
85.06511	5.1
86.10985	2.2
91.05468	26.6
93.07034	16.5
95.04948	8.3
95.08602	15.8
97.06520	6.2
103.05460	5.8
105.07020	51.5
107.04935	4.7
107.08579	38.2
109.06487	13.3
109.10162	18.7
109.10836	3.2
111.08037	6.2
112.21152	1.8
115.05422	3.2
117.07005	11.1
119.08575	41.2
121.06476	7.4
121.10107	24.1
123.08052	11.0
123.11744	2.1
128.06288	2.2
129.06981	4.1
130.07712	2.6
131.04912	3.5
131.08551	53.3
133.06465	2.6
133.10110	80.1
135.08049	36.5
135.11664	6.9
136.69371	2.4
143.08514	10.0
144.09280	5.0
145.06436	2.6
145.10110	29.1
147.07976	3.5
147.11681	18.1
149.09607	28.0
149.13232	20.3
158.10889	14.6
163.07510	2.5
163.11124	4.9
163.14844	4.1
171.11668	3.2
173.09547	2.7
173.13245	64.3
191.03352	4.0
191.06985	7.9
191.08746	2.1
191.10640	6.1
191.14293	100.0
192.14633	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54936	1.7
51.24561	1.7
51.55862	1.5
53.03940	3.6
53.78595	1.5
55.05503	11.2
57.03394	1.9
57.07062	3.5
59.04998	2.0
60.40268	1.9
67.05504	16.8
69.03423	13.2
69.07056	18.1
71.04986	10.8
76.72350	1.7
79.03152	1.5
79.05481	18.5
81.07043	17.5
81.82362	1.5
83.04956	6.5
83.08588	6.5
83.38191	1.7
85.06502	4.1
91.05466	29.7
93.07028	28.6
95.04955	19.9
95.08585	19.3
97.06528	10.0
98.20661	3.1
98.21349	6.1
103.05447	9.5
105.07014	51.0
107.04945	6.8
107.08579	47.7
108.08875	2.1
109.06509	18.3
109.10136	28.1
111.08106	4.3
115.05421	3.0
116.06203	2.8
117.07029	14.5
119.04921	3.2
119.08574	29.2
121.06486	13.1
121.10125	39.7
121.84635	1.7
122.06013	1.9
123.08039	8.1
123.11629	4.5
128.91112	1.7
129.06998	8.2
130.07768	3.4
131.04897	6.3
131.08554	54.0
132.05760	1.9
133.02803	3.0
133.06430	1.7
133.10106	62.8
135.04411	2.5
135.07056	3.1
135.08032	35.6
135.11696	10.3
137.09570	2.0
138.15541	1.8
143.08563	12.1
144.09335	5.6
145.06506	3.2
145.10104	40.5
147.07999	2.9
147.11670	22.4
148.05148	3.6
148.08803	3.4
149.05968	3.1
149.09622	17.4
149.13239	29.0
158.10880	21.2
161.06027	2.1
161.09531	4.3
163.03876	4.4
163.07518	8.8
163.11122	7.7
163.14796	6.3
173.05849	2.8
173.09618	5.0
173.13243	68.1
176.04716	2.5
176.11937	2.7
191.03317	8.6
191.07048	13.7
191.10693	14.0
191.14284	100.0
191.17911	5.1
192.14711	4.5
202.54544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	2.4
55.01859	3.4
55.05507	8.2
57.03446	1.7
57.07068	7.6
64.89717	1.5
65.03918	1.7
67.05141	1.9
67.05495	31.6
69.03403	5.2
69.07061	11.9
70.05493	3.4
70.05910	5.7
71.04984	18.1
79.05480	21.4
81.07050	19.6
81.21661	1.5
83.04959	5.9
83.08575	4.5
85.06519	7.9
91.04927	2.9
91.05468	38.0
93.06435	1.9
93.07027	36.5
95.04944	11.4
95.08592	18.4
97.06513	8.9
103.05443	2.2
104.74666	1.6
105.06351	2.0
105.07018	46.4
107.04919	4.6
107.08577	65.1
109.06496	22.4
109.09406	2.8
109.10139	57.3
111.08060	2.3
115.05413	3.3
116.06198	2.9
116.26300	1.3
117.07011	14.6
119.08565	23.1
121.06513	7.7
121.10125	39.3
123.08060	17.8
123.11595	2.4
129.06960	10.1
130.07730	3.3
131.08549	78.2
133.06479	1.7
133.10112	28.4
135.04410	2.6
135.08038	45.1
135.11644	9.4
137.09512	1.5
143.08554	11.6
144.09300	8.0
145.08968	2.6
145.10106	44.0
147.08046	3.8
147.11662	24.8
147.82376	1.3
148.08775	2.0
149.09596	13.0
149.13249	16.2
153.97456	1.3
158.10893	19.4
161.09576	3.4
163.07492	2.5
163.11066	3.2
163.14815	4.4
173.06006	1.6
173.13242	100.0
174.13591	3.7
176.11987	1.5
191.03325	2.5
191.06985	6.1
191.10645	8.9
191.14273	93.4
191.17841	7.1
192.14677	2.3
211.28543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0336
Annotation	Ayapin
Peak:m/z	Relative Intensity
53.03927	2.5
54.31454	0.8
55.01857	1.0
56.96549	1.3
57.03430	0.7
63.02362	1.2
65.03917	1.5
67.05484	1.3
68.99782	0.9
69.03409	2.1
69.07043	1.2
70.06572	0.8
70.81725	2.2
79.05482	9.6
80.05018	1.0
81.07046	1.7
85.02901	2.0
88.18649	0.8
89.03359	1.7
89.03906	34.7
90.04221	1.0
91.05474	8.5
93.07024	2.7
95.04977	4.3
95.08582	1.8
97.02872	1.0
103.05435	3.2
105.04454	0.8
105.07014	4.6
105.69906	0.8
106.06549	1.2
107.04948	11.8
107.08573	4.6
109.02811	0.8
109.06494	1.4
109.07634	1.3
109.10121	1.3
117.03362	27.2
117.07003	3.1
119.04973	1.5
119.08568	2.9
120.08081	3.0
121.02881	3.7
121.06456	2.2
121.10107	3.4
123.04397	4.5
129.06984	1.4
131.04916	3.9
131.08565	4.4
133.06496	1.1
133.07487	0.9
133.10117	7.1
135.04395	100.0
135.07939	4.0
135.11603	1.1
136.04723	2.2
143.08615	0.9
145.02827	16.2
145.06461	3.1
145.10089	4.5
147.04309	1.3
147.08035	1.0
147.11633	1.5
148.08717	1.7
149.05913	1.2
149.09627	1.3
149.13231	2.3
150.96895	2.0
158.10947	1.3
159.04425	1.4
160.05112	0.8
162.05452	2.0
163.03885	81.1
163.05879	9.2
164.04228	3.1
172.54919	0.7
173.02271	2.4
173.09659	2.0
173.13257	5.4
174.10219	1.1
176.04674	1.1
191.03374	74.6
191.05183	5.4
191.06703	7.0
191.10657	2.0
191.12833	1.0
191.14304	9.9
192.03723	2.3
209.04453	0.9
213.00589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03921	2.8
55.01860	4.3
55.05492	7.4
57.07058	2.7
59.04977	1.8
65.03917	1.5
67.05496	31.8
69.03401	3.9
69.07053	12.4
69.84821	11.6
70.69480	1.6
71.04618	1.9
71.04984	27.0
79.05486	16.9
81.07052	14.7
83.04951	2.8
83.08582	4.1
85.06528	9.6
91.05467	25.5
93.07024	19.2
95.04944	14.8
95.08599	16.3
97.06509	11.4
98.20740	2.1
99.08051	2.0
103.05405	3.1
105.07012	44.8
107.04977	2.5
107.08576	60.7
109.05842	2.6
109.06511	32.3
109.10142	95.1
115.05414	3.6
116.06200	2.1
117.07005	10.7
119.08562	20.6
121.06472	6.3
121.10128	54.1
121.51224	1.7
123.08046	20.7
129.06967	4.0
131.08553	53.4
133.06412	2.2
133.10101	32.8
135.08037	79.2
135.11642	4.2
136.08777	1.7
143.08542	8.0
144.09326	3.6
145.10132	17.7
147.08043	5.0
147.11667	20.7
148.08830	4.2
149.09601	15.7
149.13237	14.5
150.10376	2.4
158.10876	11.7
161.09570	3.0
162.10324	2.1
163.11137	1.7
163.14774	3.2
173.09770	2.2
173.13249	56.5
174.13564	2.2
176.11897	2.4
191.03528	2.6
191.07018	5.3
191.10628	4.1
191.14282	100.0
192.14574	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	190.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
55.05503	0.4
56.96316	0.5
56.96561	6.9
57.03407	1.6
57.07064	2.3
58.99848	0.7
69.03410	1.1
71.01328	0.5
71.57498	0.6
71.95258	0.5
73.02895	0.5
77.00900	1.3
79.05460	0.4
81.03415	1.9
81.07050	0.5
82.01443	0.5
83.04978	0.4
84.95996	0.3
85.02865	0.5
88.45574	0.3
91.05493	0.3
95.01908	0.5
97.02893	0.6
98.97573	4.7
100.02468	2.0
101.00867	1.2
101.52485	0.4
102.00938	0.6
103.02443	1.8
104.02563	0.4
105.00349	0.6
109.02871	0.5
115.02398	2.0
116.98616	7.5
117.53414	0.6
118.03526	1.8
119.00200	0.5
119.01912	5.9
120.02006	2.1
121.01569	0.8
121.03462	1.3
121.52087	0.5
123.99932	0.4
126.01612	0.6
126.53933	0.5
128.00778	0.7
128.01897	0.6
129.03963	1.5
131.00186	0.5
131.01884	2.1
133.03429	1.7
133.05159	0.4
134.02971	0.3
134.99651	10.0
135.99934	0.9
137.02983	2.2
138.03024	0.5
139.02498	1.6
140.00793	0.7
141.00246	0.4
141.03902	0.7
142.03497	0.7
143.00714	0.6
144.03204	0.5
145.03467	3.3
146.99693	0.6
147.04993	2.1
148.02765	0.4
148.05217	0.7
148.51430	0.4
149.01228	4.7
149.02997	0.4
153.00699	2.0
154.01024	0.4
154.03618	0.4
155.00705	0.7
155.01859	0.8
155.99751	0.5
156.49753	0.6
156.97444	0.6
157.00458	0.7
157.03458	8.7
158.01239	0.8
159.01350	0.7
159.05110	0.7
159.99982	0.7
161.02930	1.0
162.03127	0.8
163.04492	0.7
164.01207	0.5
165.00212	1.0
166.00206	1.1
166.06099	0.4
167.01933	6.5
168.05032	1.2
169.00443	0.6
173.02899	0.6
175.04532	1.5
176.60175	0.6
177.00970	1.5
178.00966	1.6
178.02449	0.4
179.00835	0.4
179.10469	1.0
180.05026	0.7
185.02936	100.0
186.03096	4.6
186.06021	0.4
187.01503	0.8
189.00114	0.5
190.03658	1.7
190.08644	0.8
196.01913	0.5
196.52115	0.4
199.04343	0.4
201.00885	1.1
203.03981	28.9
204.04172	1.3
208.04555	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	190.0496
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.25231	0.2
70.30730	0.2
71.13280	0.3
71.13605	0.2
85.42913	0.2
89.03900	1.2
116.04959	4.1
117.03378	0.2
122.64205	0.2
134.05977	0.3
144.04414	0.6
162.05476	100.0
163.05862	2.1
164.05971	0.3
165.16351	0.2
190.04962	28.7
191.05302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05501	10.0
57.01931	0.9
57.07062	1.8
63.16233	0.9
66.61973	0.8
67.05502	9.7
69.03435	1.5
69.07063	12.8
71.17587	1.1
71.17902	1.3
77.03883	1.2
79.05479	6.5
79.95669	1.0
81.07044	15.5
83.08595	4.5
84.04491	3.8
85.04806	3.0
91.05465	19.1
93.07043	9.9
95.04962	1.2
95.08009	1.8
95.08594	31.5
97.10194	0.9
103.05412	1.1
105.07020	45.5
107.08574	15.5
109.10152	5.2
115.05448	1.7
117.07018	2.7
119.08566	66.4
120.08861	1.3
121.10126	9.7
128.06137	1.3
129.06967	1.0
131.08563	7.8
133.10109	62.9
134.10806	1.0
135.11613	1.6
143.08551	1.4
145.10091	10.1
146.10838	3.3
147.07997	1.0
147.11668	45.9
156.09351	1.3
159.11667	5.4
160.12439	4.2
161.06096	1.2
161.13223	11.1
171.11671	2.7
174.14001	4.1
187.14877	1.4
189.05440	1.5
189.09120	3.4
189.12735	6.6
189.16359	100.0
190.16710	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.05486	2.5
58.58054	1.0
67.05488	2.9
69.03432	6.1
69.07044	2.2
69.28826	12.8
76.77516	1.1
78.12656	1.1
78.84439	1.3
79.05495	2.8
81.07032	4.1
85.02884	1.6
91.05464	11.2
93.07039	2.1
95.04951	1.5
95.08575	3.3
103.05448	2.4
105.07012	24.3
107.08573	3.5
109.10143	1.3
114.61087	1.3
115.05437	7.1
117.07024	6.3
118.04115	2.6
119.04899	1.6
119.08561	25.7
121.02845	1.4
121.10113	2.0
128.06204	7.8
129.06995	8.2
130.07745	5.1
131.04849	1.2
131.08549	10.4
133.06487	5.4
133.10114	13.3
135.08075	1.2
137.01604	1.1
141.06987	11.2
143.04910	3.9
143.08534	13.6
144.09282	3.6
145.06438	2.8
145.10091	22.8
146.03587	4.7
146.07169	1.6
146.10828	2.1
147.08052	9.1
147.11664	19.9
155.08514	1.9
156.09325	62.7
157.06477	3.2
157.09737	1.6
159.08028	7.9
159.11658	18.4
160.05165	6.7
160.08672	2.4
161.05977	20.4
161.09576	5.9
161.13197	4.9
161.24449	1.3
162.05383	2.0
171.11671	77.2
172.11992	2.6
173.09561	1.9
174.03140	8.2
174.06322	6.5
174.10361	10.8
175.07494	4.0
180.01552	1.3
189.05444	22.2
189.09068	16.3
189.12715	100.0
189.16252	6.9
190.04941	1.3
190.13055	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	189.1634
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03933	1.9
55.01860	2.2
55.05507	12.3
57.07059	2.0
67.05199	0.9
67.05496	12.4
69.03402	1.8
69.07059	15.7
71.60138	1.1
71.60535	1.2
76.24026	1.0
79.05486	12.5
81.07044	23.4
83.04964	2.5
83.08605	6.6
84.04507	6.6
84.78542	1.1
85.02876	1.6
85.04815	6.3
86.03239	1.9
87.04391	1.0
91.05470	33.5
91.18746	0.9
93.07031	15.1
95.04976	1.4
95.08594	37.4
95.77055	0.9
97.06546	1.1
100.06149	0.9
103.05470	1.7
104.06263	0.8
105.07015	66.1
106.07351	1.7
107.08582	20.8
109.10143	10.3
115.03908	0.9
115.05420	3.4
117.07003	6.7
119.04939	1.7
119.08561	79.4
120.08867	1.1
121.06471	1.8
121.10127	15.8
123.11677	1.3
128.06242	5.2
129.06949	5.1
130.07709	2.0
131.08536	9.8
133.06464	2.7
133.10109	83.7
134.10481	1.2
135.11664	4.0
136.07365	1.0
141.06923	1.7
143.04942	1.0
143.08563	6.2
145.10085	13.7
146.03577	1.5
146.07245	1.5
146.10854	2.9
147.04395	8.0
147.08031	13.2
147.11667	49.6
149.02245	1.7
156.09315	4.3
159.11668	6.4
160.12454	4.4
161.05951	4.2
161.09621	4.1
161.13239	15.4
164.08160	0.9
171.08026	2.9
171.11681	8.8
174.03113	1.8
174.06624	1.3
174.10394	2.1
174.13988	3.5
189.05437	6.9
189.09094	18.2
189.12701	26.6
189.16356	100.0
190.04990	1.3
190.13174	1.1
190.16679	3.9
201.17574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.2
59.04982	1.8
67.05481	3.5
69.03424	7.6
69.07056	2.6
69.38029	2.2
69.38432	13.8
79.05491	2.9
81.07049	2.0
83.08610	1.6
85.02901	2.1
91.05460	10.9
93.07016	2.6
95.08598	3.2
105.07011	23.4
107.08568	3.4
107.98752	1.4
113.98405	1.3
115.05392	7.8
117.07005	7.4
118.04195	2.0
119.07752	2.0
119.08561	26.3
121.06451	1.7
121.10108	2.3
128.06239	9.4
129.07033	10.4
130.07736	5.2
131.04910	2.3
131.08571	11.0
133.06459	4.7
133.10109	15.3
141.06979	12.6
143.04927	3.5
143.08543	11.8
144.09285	3.4
145.06458	2.5
145.10097	17.8
146.03596	3.5
146.07039	1.9
146.10916	2.1
147.08003	8.2
147.11673	17.4
155.08513	4.0
156.09329	61.2
157.06508	1.8
159.08000	8.8
159.11688	15.6
160.05211	8.7
161.05946	21.7
161.09602	4.4
161.13234	6.0
162.05412	2.4
171.08012	2.9
171.11673	73.7
172.11969	2.0
174.03073	4.9
174.06444	6.8
174.10410	11.5
175.07501	1.7
189.05440	19.2
189.09106	20.7
189.12723	100.0
189.16316	12.1
190.04810	1.8
190.08551	2.6
190.13086	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
56.95900	0.9
67.05483	1.1
69.03420	5.7
69.07058	1.4
70.79108	3.0
79.05468	1.5
81.07043	1.0
91.05462	6.5
93.07029	1.4
95.04926	1.5
103.05467	1.4
105.07019	15.3
107.08561	3.3
109.06482	1.4
110.08270	0.8
115.05446	2.5
117.06994	5.4
119.08562	19.8
128.06194	5.4
129.06976	5.7
130.07788	5.0
131.04950	1.0
131.08545	7.2
133.06448	2.5
133.10135	7.3
141.06943	12.3
142.07732	1.4
143.08545	8.9
144.09332	3.5
145.06448	1.5
145.10110	23.3
146.10773	1.2
147.08023	7.5
147.11661	14.7
155.08534	3.8
156.09328	77.2
157.09723	3.0
159.08047	6.7
159.11682	18.6
160.08804	1.0
161.05920	2.1
161.09541	1.8
161.13266	1.7
171.11670	88.5
172.11998	3.5
174.06763	1.2
174.10379	9.9
179.38573	0.9
189.05452	2.4
189.09109	3.5
189.12721	100.0
190.13051	4.1
208.92995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.34308	0.7
55.05508	4.5
56.05017	1.4
58.14374	0.6
65.03931	1.5
67.05500	4.1
69.03421	8.9
69.07054	3.6
69.92478	2.4
69.92912	2.8
79.05485	5.0
81.07054	4.9
83.04958	2.9
83.08570	0.9
84.04504	0.8
84.08145	1.2
86.09700	1.3
91.05459	13.0
93.07034	6.2
95.04997	3.6
95.08599	1.8
103.05438	2.6
104.06243	0.7
105.03358	1.0
105.07017	27.6
107.04939	1.7
107.08584	5.5
109.06520	1.1
109.10110	1.0
109.88204	0.8
115.05437	5.0
116.06239	1.2
117.07014	4.6
118.04135	2.0
119.04923	1.7
119.08564	48.9
121.06506	3.6
121.10133	2.7
128.06215	6.2
129.07022	6.6
130.07756	2.2
131.04906	1.1
131.08551	13.5
132.05620	1.3
133.06462	7.1
133.10112	20.3
135.08023	4.0
141.06978	4.2
142.07722	1.6
143.04930	1.5
143.08548	9.4
145.06441	5.1
145.10089	5.4
146.03604	3.4
146.05972	0.8
146.07211	2.5
146.10912	1.4
147.06273	1.1
147.08037	21.2
147.11662	20.1
148.08519	0.7
149.09570	1.0
156.09322	22.9
157.06497	1.3
157.99625	0.8
159.08043	17.6
159.11668	4.4
160.05141	2.7
160.08815	9.1
161.05962	8.9
161.09604	12.7
161.13235	24.7
162.05498	2.2
162.13588	0.9
171.07990	2.3
171.11678	24.1
173.09570	1.4
174.03171	5.9
174.06769	4.3
174.10381	30.8
175.06253	1.4
175.10680	1.1
189.05443	15.0
189.09131	9.5
189.12718	100.0
190.04756	0.9
190.08623	2.4
190.13046	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65757	0.7
52.59264	0.7
52.87452	0.6
53.03938	1.5
53.13178	0.7
53.37780	0.8
55.01867	7.0
55.05508	3.5
57.03414	1.4
61.90842	0.7
65.03912	1.5
65.13312	0.8
65.16867	0.7
67.05151	0.9
67.05492	17.7
68.04050	0.7
69.03409	1.2
69.07058	7.0
71.04967	1.1
71.60266	1.3
71.60661	0.8
78.04665	0.7
79.05481	15.2
81.07030	11.0
83.04953	2.9
83.08597	1.1
85.02871	1.4
85.04811	1.2
85.06518	1.2
91.05463	77.6
92.05803	1.2
93.07031	13.3
95.04939	3.6
95.08585	9.0
97.06517	3.4
103.05444	1.9
105.03344	0.8
105.07009	45.3
106.07345	1.4
107.04939	3.2
107.08580	6.0
109.06497	2.8
109.10123	1.1
111.08099	0.9
115.05397	4.3
117.06996	12.9
119.04865	1.2
119.08556	27.1
119.09424	1.3
121.06490	3.7
121.10104	3.2
123.08054	1.5
128.06186	7.9
129.06981	35.9
130.07695	2.5
131.08565	5.8
133.06432	3.5
133.10100	23.5
135.08035	1.1
141.06934	1.8
142.07758	1.5
143.08542	20.8
145.06465	1.3
145.10100	29.5
147.04343	0.8
147.08011	9.6
147.11650	16.3
147.12726	1.0
149.02339	1.4
156.09308	5.9
159.08078	1.3
159.11613	1.5
161.06000	3.7
161.09584	4.3
161.13237	14.2
171.11661	55.1
172.12015	1.5
174.03166	0.8
174.06589	0.9
174.10367	1.3
176.62935	0.7
189.05429	5.0
189.09161	6.6
189.12714	100.0
189.16293	11.1
190.13048	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03934	1.3
54.20479	0.7
55.01865	7.5
55.05510	4.0
55.06354	0.6
57.03410	1.0
60.74820	0.7
65.03924	1.8
67.05497	16.4
69.03410	1.9
69.07053	4.6
71.63475	0.9
79.05483	19.4
81.07047	11.1
83.04951	2.7
84.04450	0.8
85.06546	0.8
91.05468	68.6
92.05769	1.4
93.03410	0.7
93.07038	11.5
95.04980	5.9
95.08594	5.9
97.06507	2.9
98.95007	0.6
103.05444	2.0
104.06363	0.7
105.03379	0.9
105.07017	37.9
106.07343	1.0
107.04942	3.9
107.08578	5.7
109.06487	2.8
111.08061	0.8
115.05437	3.6
116.06194	0.8
117.07001	15.2
119.08570	24.3
121.06495	5.2
121.10103	2.6
123.08044	1.4
128.06200	6.9
129.06987	38.2
130.07727	3.0
131.08575	6.7
133.06471	4.5
133.10107	19.2
135.08040	2.0
141.06955	1.9
142.07771	2.3
143.08548	22.4
145.06509	1.4
145.10100	28.8
146.03554	1.0
147.08023	9.5
147.11667	13.6
156.09306	4.8
159.11656	1.7
160.05168	0.7
161.05965	2.5
161.09581	4.3
161.13237	10.5
169.10007	1.0
171.11665	54.2
172.12016	2.7
174.03169	1.1
174.06657	0.9
174.10403	1.6
189.05385	4.3
189.09174	5.4
189.12718	100.0
189.16225	5.7
190.13054	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01869	5.8
55.05507	3.7
56.56829	0.7
57.03431	1.4
65.03930	2.4
67.05149	0.8
67.05493	14.9
69.03385	1.4
69.07053	5.6
71.61713	1.2
71.62072	0.7
73.41791	0.7
73.58461	0.7
73.96844	0.7
79.05030	1.0
79.05482	17.0
81.03425	1.1
81.07049	10.9
83.04951	3.0
83.05447	0.6
83.08603	1.0
85.02867	0.8
85.06518	1.8
87.60114	0.6
91.05467	79.4
92.05782	1.2
93.07031	9.0
95.04952	4.9
95.08588	5.2
95.09107	0.8
95.74885	0.8
96.79523	0.7
97.06512	3.9
103.05434	3.2
105.07015	37.3
107.04943	4.5
107.08573	4.7
109.06493	2.5
111.08106	1.5
115.05430	3.4
116.06215	0.8
117.06999	13.6
117.87518	0.7
119.08562	23.1
121.06490	4.0
121.10104	1.7
123.08054	2.1
128.06210	6.4
129.06989	35.5
130.07780	2.3
131.08553	6.5
133.06450	3.3
133.09184	1.4
133.10109	18.8
135.08029	1.2
141.06938	1.3
142.07729	2.2
143.08539	21.2
145.06409	1.8
145.10095	28.0
145.11243	1.7
146.07137	1.0
147.08011	10.1
147.10587	1.4
147.11676	15.8
147.12761	0.5
149.02284	1.0
153.96922	0.7
156.09294	8.1
159.11624	1.8
161.05943	1.6
161.09589	3.2
161.13242	13.3
171.11667	48.4
172.11963	1.8
174.10384	1.6
189.09189	5.1
189.12711	100.0
189.16293	5.3
190.13036	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03937	1.0
55.01858	1.5
55.05487	1.5
57.07072	2.5
65.03941	1.0
67.05503	5.9
69.03406	2.2
69.07037	1.4
69.46716	0.5
71.38835	1.0
79.05488	6.5
81.03408	4.8
81.07040	5.5
82.06564	0.9
83.01269	0.5
83.08580	1.0
84.04470	1.5
85.02877	1.1
88.02201	2.6
91.05469	15.3
93.07042	4.3
95.04964	4.9
95.08585	1.9
97.02879	0.6
99.04449	1.3
103.05467	1.5
105.07018	28.7
106.07353	0.7
107.04953	1.8
107.08572	1.7
109.02879	0.9
111.81126	0.5
112.11954	0.5
114.05556	0.5
115.05428	5.6
116.06261	2.6
117.07015	20.9
119.04863	0.7
119.08566	21.3
121.06518	0.7
127.03890	0.8
128.06192	6.1
128.07056	0.9
129.06995	16.9
130.07780	10.9
131.04915	3.7
131.08556	42.0
132.08966	0.8
133.06465	0.8
133.10136	2.5
141.06956	6.0
142.07768	9.3
143.04900	1.1
143.08539	15.8
144.05695	1.8
144.09325	18.6
145.06470	6.7
145.10107	100.0
146.10468	3.1
151.04570	0.5
153.06995	1.7
154.07748	7.1
157.06523	0.7
157.10114	17.2
158.07271	3.0
158.10904	6.0
159.06975	0.5
159.08093	7.2
159.11679	43.4
160.12048	2.0
169.10098	9.5
171.08031	0.7
172.08835	4.3
172.12457	8.2
173.00842	1.1
185.13107	0.7
187.03893	7.5
187.05592	0.7
187.07556	2.3
187.11180	29.9
187.14798	51.8
187.22444	0.9
188.15186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21384	0.3
58.59042	0.2
64.34111	0.3
64.89712	0.2
69.48019	1.4
69.48445	0.6
82.06577	0.3
84.04489	1.4
85.02882	0.5
91.05471	4.4
95.04939	0.3
98.23447	0.3
103.05441	0.6
115.05432	5.3
117.05714	1.2
117.07015	3.8
118.06524	68.3
119.06889	1.3
128.04968	0.4
132.08064	1.0
142.06503	5.8
143.07294	11.5
144.04430	0.8
144.08067	23.0
145.06456	0.8
145.08379	0.4
145.39359	0.3
146.05986	100.0
147.06345	2.5
155.06030	0.8
160.07550	1.2
170.02884	0.3
170.05994	8.9
188.07039	19.2
189.07446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.92054	0.2
61.99771	0.3
69.48114	2.4
74.03728	0.3
84.04507	0.3
91.05465	3.0
92.05770	0.2
115.05441	4.7
116.06207	0.3
117.05744	1.0
117.07013	4.1
118.06524	60.5
119.06852	1.2
132.08029	0.5
139.07832	0.3
142.06512	5.0
143.07295	9.3
144.04407	1.0
144.08064	24.4
145.06448	0.6
145.08398	0.6
146.05984	100.0
147.06360	2.3
155.05981	0.7
160.07552	1.0
170.05983	8.4
188.07040	18.7
189.07381	0.7
201.86322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.44753	0.2
55.05495	1.1
56.05027	2.1
56.34316	0.2
57.03424	1.2
58.06606	0.5
59.04994	2.9
60.04512	2.2
61.02919	8.6
67.04220	0.3
67.05506	0.5
68.05002	0.6
68.36237	0.3
69.03428	0.7
69.90861	1.1
69.91269	0.6
70.02948	3.0
71.01376	0.4
71.04987	1.6
71.42175	0.2
72.08146	0.6
73.92033	0.2
75.04494	0.7
81.07054	0.4
82.06578	3.6
83.04971	5.2
84.04494	100.0
85.02895	21.1
85.04825	1.0
86.06057	1.0
87.04458	5.9
91.05482	0.5
93.07011	0.3
95.08608	0.8
96.04520	0.5
98.06031	0.3
100.07608	2.3
102.05537	0.4
105.07020	1.6
107.08627	0.5
109.10096	0.3
110.06033	3.1
111.04438	1.4
112.03990	0.5
119.08556	2.0
126.05505	4.7
128.07057	5.9
129.05476	1.2
131.08566	0.6
133.10127	1.7
145.10081	0.5
146.08127	0.7
146.10414	0.6
147.11691	0.8
161.13254	0.3
162.15598	0.3
170.08141	0.8
173.05952	0.4
188.09187	8.5
188.15137	0.9
189.09250	0.6
189.12766	0.4
189.16432	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	187.1326
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03939	2.5
54.80862	1.7
55.01853	4.1
55.05503	10.5
56.15710	1.6
57.03421	3.6
57.07061	4.1
61.02900	2.5
65.03921	1.8
67.05493	67.9
69.03413	7.5
69.07059	10.2
69.95721	11.4
71.04983	73.7
79.05488	18.4
81.03417	5.6
81.07044	52.2
82.06574	3.5
83.04984	9.8
83.08608	4.4
84.04488	25.3
84.08110	3.0
85.02879	7.5
85.06528	100.0
87.04449	2.8
88.02193	4.1
91.05465	49.6
93.07026	18.0
95.04989	3.9
95.08585	7.2
97.02885	3.4
97.06509	3.2
105.07012	49.1
107.07840	2.0
107.08573	39.0
107.09248	2.5
109.06508	8.6
109.10138	63.9
110.10428	2.1
113.05968	3.7
115.05423	14.3
117.07018	5.5
118.06470	1.8
123.08130	2.0
123.11694	10.6
125.09648	3.1
127.07514	2.9
129.06992	3.2
131.04909	13.8
131.08549	13.9
133.10106	83.1
141.06984	18.2
142.07597	2.4
143.04916	3.4
143.08562	3.1
144.05682	8.8
145.06519	2.4
145.10098	8.8
146.05936	2.3
151.11153	36.5
159.08025	21.4
159.11676	6.8
169.06488	6.4
169.12244	10.0
172.05144	4.1
173.05959	8.4
187.03888	21.6
187.07512	43.4
187.11151	7.9
187.14752	9.4
188.08266	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.36123	0.3
53.03936	0.7
55.01862	0.4
55.05502	1.0
56.96552	1.5
57.03431	0.5
57.07071	4.5
61.02899	0.4
62.11273	0.3
66.97277	0.3
67.05496	3.9
69.03413	1.6
69.07050	0.5
71.04967	0.4
71.60480	0.4
72.08968	0.4
75.46899	0.3
77.03912	0.4
79.05476	2.5
80.15181	0.3
80.43976	0.3
81.03409	2.1
81.07050	3.4
82.06581	0.5
83.08614	0.8
84.04492	3.4
85.02894	1.4
85.54027	0.4
88.02234	2.1
91.05473	5.6
93.07043	0.8
95.04954	0.7
95.08601	1.0
95.52959	0.4
97.02872	0.3
99.04417	0.5
105.03382	0.3
105.07014	11.4
107.08572	3.1
109.02882	0.5
109.10135	1.8
115.05415	3.5
115.67247	0.3
116.06203	0.4
117.06992	7.1
118.07336	0.6
119.08571	8.8
120.08884	0.4
127.05908	0.4
128.06198	3.6
128.07062	0.7
129.06987	5.5
130.07776	7.5
131.04906	3.3
131.08559	11.4
133.10100	2.1
139.00648	0.4
141.06940	2.3
142.07784	1.2
143.04886	1.0
143.08549	9.1
144.05698	0.8
144.09351	3.8
145.06444	1.3
145.10103	100.0
146.10478	3.2
153.06967	0.8
154.07756	2.3
155.77162	0.4
157.06526	1.0
157.08868	0.7
157.10114	9.6
158.07236	0.7
158.10893	4.5
159.04393	0.7
159.06947	0.6
159.08057	3.1
159.11671	14.9
169.10097	4.9
172.08824	5.2
172.12440	8.6
173.12929	0.4
185.13200	0.9
187.03882	6.5
187.05840	0.5
187.07532	2.3
187.11195	14.3
187.14796	51.9
187.22491	0.9
188.04344	0.3
188.09167	0.7
188.11523	0.5
188.15089	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	186.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63251	0.4
52.31651	0.4
54.34916	0.4
57.06808	0.4
57.07068	7.0
62.02545	0.3
81.03392	0.6
84.04482	0.8
85.02886	1.1
85.10166	5.6
88.02182	0.4
89.03909	0.8
98.21568	0.7
100.11231	0.6
102.12804	15.5
108.01810	0.4
114.05518	1.9
115.05453	1.0
116.06234	0.4
117.03369	2.2
117.06963	0.6
126.05501	1.3
129.06938	0.5
131.04906	1.5
131.08551	0.9
140.07022	0.5
143.04881	0.5
145.02858	2.0
145.10144	1.1
159.08051	1.6
159.11705	0.8
169.10074	0.4
186.05513	0.7
186.07555	1.0
186.22147	100.0
187.03856	2.8
187.07549	1.4
187.11142	1.6
187.22507	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.5
53.03925	2.0
53.77345	0.5
55.01850	1.9
55.05492	1.9
57.03409	0.8
57.07053	2.2
65.03938	0.8
67.05501	6.8
68.41453	0.5
69.03422	3.2
69.07057	1.7
71.61870	1.1
77.03907	0.6
79.05478	7.2
79.75388	0.4
80.06263	0.5
81.03408	5.6
81.07037	5.8
83.08601	1.1
84.04489	1.7
85.02881	0.6
85.06530	0.5
88.02203	3.4
91.05463	16.0
93.07036	3.6
95.04959	5.3
95.08584	1.5
97.02876	0.9
99.04445	0.5
103.05466	1.5
105.07014	28.2
107.04923	2.0
107.08582	1.2
109.02862	1.2
115.05426	7.8
116.06225	2.2
117.07000	20.2
119.04939	0.8
119.08564	21.3
121.06483	0.9
121.10153	0.5
128.06197	5.5
129.06979	18.0
130.07776	10.4
131.04913	5.3
131.08548	40.7
132.08812	0.7
133.10100	2.5
141.06935	6.0
142.07751	10.6
143.04900	2.4
143.08549	13.9
144.05643	1.2
144.08241	1.0
144.09323	16.5
145.06462	6.8
145.10101	100.0
146.10469	1.2
153.06999	1.6
154.07758	7.1
157.06476	1.3
157.10114	17.8
158.07237	3.7
158.10899	5.6
159.08052	8.3
159.11671	49.4
160.12024	1.0
167.08569	0.7
169.07761	0.6
169.10101	10.7
171.08000	0.7
172.08830	4.5
172.12471	6.2
173.00818	1.3
185.13167	0.8
187.03862	10.1
187.07588	2.7
187.09447	1.3
187.11168	30.3
187.14792	53.3
188.11559	0.9
188.15114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05516	0.6
56.05030	1.5
58.06597	1.0
60.08157	20.5
60.93933	0.3
67.05498	0.5
69.03413	0.4
70.06551	0.4
71.04968	0.4
71.06964	0.5
71.07365	10.8
71.54563	0.3
71.60349	0.4
71.60723	0.4
71.95280	0.4
81.07040	0.6
84.04515	0.4
86.09695	100.0
87.10029	1.5
91.05428	0.6
93.07081	0.4
96.05235	0.3
98.98451	17.9
101.95022	3.3
104.10731	5.2
106.03704	0.6
111.05510	0.4
116.99478	0.6
117.07000	1.8
119.96072	2.4
124.07603	0.4
124.99986	81.9
126.00269	0.6
128.06223	0.9
129.06989	2.0
131.08554	0.4
137.97104	3.4
139.07610	0.4
142.07765	0.6
143.01012	1.7
143.08565	1.4
155.98157	1.0
157.10097	0.5
160.98686	1.0
166.02621	0.6
166.08617	0.6
169.09831	0.5
184.07323	98.1
185.07753	1.8
185.09238	0.4
185.13188	2.2
199.34624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
55.29549	0.1
56.05042	0.3
56.96581	0.2
57.03431	0.2
58.72829	0.2
60.82687	0.1
61.55419	0.1
64.34586	0.1
64.44018	0.2
67.05487	0.3
68.05027	0.5
69.03426	0.5
69.07050	0.2
69.28539	1.7
70.02963	0.2
70.06583	100.0
71.04996	0.1
71.06917	0.9
72.04493	0.2
72.08146	0.2
73.02931	0.2
79.05489	0.4
80.05019	0.2
81.03403	0.6
81.07044	0.8
82.06596	0.3
83.08643	0.2
84.04488	0.7
85.02895	1.1
86.06057	0.2
89.03914	2.3
90.04232	0.2
91.05441	0.3
93.06989	0.2
97.02912	0.3
98.06035	0.4
98.20684	0.3
98.28235	0.2
99.04433	0.2
101.06013	0.2
103.05470	0.5
107.08621	0.2
109.02879	0.2
112.07596	0.5
114.05524	1.6
115.05463	0.5
117.03365	4.9
122.06027	0.2
124.32644	0.2
126.05530	1.5
126.06552	0.3
127.03909	0.3
130.06523	0.4
131.04930	0.8
131.08577	0.5
135.04439	0.2
139.01855	0.4
140.07077	0.5
140.14380	0.2
141.06953	0.3
143.04924	0.3
143.08179	0.2
144.05693	0.6
144.06635	0.4
144.07712	0.6
145.02829	6.3
146.03227	0.3
149.56952	0.2
158.05986	1.5
158.08153	0.2
159.04416	0.3
159.08054	1.3
163.01804	0.4
168.06763	0.2
168.10252	0.2
168.13820	2.6
169.07220	0.3
169.09889	0.2
172.08980	0.2
173.00925	0.2
181.02852	0.8
186.05545	1.9
186.07637	0.8
186.11255	0.4
186.14932	1.1
186.18542	0.2
187.03893	2.6
187.05554	0.2
187.05878	0.2
187.07472	1.5
187.11238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03931	2.4
55.01862	3.8
55.05502	2.3
56.05022	3.0
56.96560	66.2
57.03425	9.4
58.06585	1.4
58.44011	1.0
59.06109	1.2
60.04515	3.9
60.60651	0.9
60.95846	3.6
60.96777	0.8
61.02929	4.8
65.03942	3.7
65.92623	4.4
67.05495	4.9
67.40405	1.1
68.05016	2.8
69.03423	17.3
69.07059	3.1
70.02905	1.3
70.06584	18.0
70.98117	2.0
71.04983	3.4
71.06093	1.8
71.63157	1.5
71.95262	6.5
72.08163	1.2
73.02905	9.0
74.97611	2.9
79.05487	5.3
80.04996	1.9
80.94958	10.6
81.03416	8.4
81.04542	1.6
81.07053	1.4
82.06567	4.5
83.01324	1.2
83.04971	2.3
83.06086	2.5
83.93647	1.7
84.01561	1.6
84.04493	2.1
84.08128	2.3
84.96036	4.9
84.96496	1.0
85.02898	17.4
86.03661	1.4
86.06062	10.8
86.09705	3.3
87.04464	3.9
88.56222	1.1
88.99142	1.3
89.00747	1.9
90.01546	1.4
91.05482	7.7
92.05006	2.5
92.05782	1.5
92.98663	1.2
93.07040	1.2
94.04180	2.7
94.06571	1.3
95.04948	7.9
95.06051	2.5
96.04492	2.5
96.08096	2.6
97.02284	0.7
97.02885	18.6
97.06535	1.4
97.07655	2.2
97.96798	2.4
98.01279	2.0
98.06043	2.7
98.09673	1.3
98.95982	2.0
98.97575	24.7
99.04438	2.4
99.05523	1.3
100.03948	1.2
101.00860	10.1
101.95020	12.5
102.96873	3.4
104.01307	1.5
105.03371	2.4
105.07005	1.4
106.03661	1.2
107.04948	10.8
108.01528	1.7
108.08114	1.5
109.02892	4.1
109.07638	2.9
110.01271	2.1
110.06048	4.8
110.97568	5.3
111.04461	2.3
111.09216	1.2
112.01063	1.5
112.02898	1.3
112.07600	3.9
112.99112	1.7
114.05527	1.9
115.03912	1.3
115.97811	2.1
116.00256	1.5
116.98608	25.6
117.02027	2.5
119.01907	100.0
119.04955	4.4
119.96046	9.5
120.02012	4.8
120.04480	2.5
120.05273	1.3
120.08086	1.3
120.97910	2.4
121.01588	2.3
121.02880	1.8
121.06486	8.8
121.07274	0.9
121.07643	0.9
121.97554	11.8
122.03651	2.7
122.51694	1.9
123.04453	9.5
124.03913	2.5
124.04758	2.8
124.07583	12.4
124.93881	5.2
124.99140	1.1
124.99966	1.3
125.05997	1.2
125.07093	2.9
126.02608	2.1
126.05519	1.1
127.03924	3.5
128.02295	3.0
128.80656	1.1
128.98602	12.2
129.06989	1.2
130.02800	2.7
130.08661	1.5
131.00146	4.3
131.01834	1.7
133.01598	2.7
133.02855	7.7
134.03149	2.0
134.99652	19.9
135.00607	1.9
135.04402	6.2
136.04688	1.2
136.07565	1.8
137.02943	51.3
137.05959	24.3
137.07034	1.2
137.97098	11.1
138.03093	2.2
138.05501	10.2
138.06357	2.6
138.09154	2.6
138.98918	2.3
139.08640	1.8
139.53096	1.3
140.10732	1.4
141.06575	1.2
141.96504	1.3
142.03481	23.2
142.08650	2.1
142.94952	3.5
143.00148	6.1
143.01865	1.4
143.03625	3.1
144.98117	1.8
145.01646	3.2
145.03497	1.5
146.99640	16.1
147.03308	1.2
147.04346	6.7
148.02728	2.6
148.03897	50.0
149.01184	5.9
149.05962	7.2
149.07022	1.5
150.00722	2.5
151.03822	1.5
152.04680	3.5
153.00717	2.6
155.00131	1.7
155.98178	4.3
156.03365	1.6
156.06496	2.2
156.10199	1.6
156.11269	4.8
156.13750	1.9
157.09764	2.4
158.01260	1.5
158.06560	1.0
158.99669	3.1
159.03296	1.4
159.97548	2.7
160.04564	9.8
160.96027	8.8
160.98793	3.4
161.01244	12.8
161.02902	9.6
161.04770	3.1
162.99124	1.9
163.02809	4.4
165.00700	3.2
165.05280	2.4
165.96494	7.6
166.04979	61.6
166.08644	3.6
166.09818	1.6
167.02171	1.6
167.07025	2.7
170.99617	1.7
171.03036	1.6
172.02852	1.3
173.01189	2.8
174.04434	1.7
177.00711	3.9
177.05527	1.3
178.03690	1.4
179.00047	3.3
179.02274	3.6
179.04028	12.2
183.97580	8.9
184.02727	1.4
184.04558	2.6
184.06068	13.0
184.07458	2.9
184.09676	7.5
184.11134	5.9
184.13260	5.2
185.09189	4.7
185.31694	1.1
189.00739	1.8
197.01219	6.2
202.03847	2.6
204.05676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
56.05005	0.5
56.96555	8.0
57.03427	1.4
58.03756	0.2
59.04979	0.3
59.61523	0.2
60.95844	0.3
61.02903	0.6
61.33042	0.3
65.92617	1.2
67.05505	0.2
68.98273	0.3
69.03425	1.7
70.06570	0.5
70.25927	1.2
70.98094	0.8
71.01343	0.3
71.04966	0.3
71.95246	0.7
72.08150	0.3
73.02902	1.5
74.97594	0.5
75.01061	0.5
77.00921	0.2
80.05002	0.3
80.94947	2.9
81.03400	1.3
82.06577	0.5
82.99824	0.9
83.04980	0.3
83.93642	0.4
84.01558	0.8
84.04469	0.3
84.08128	0.3
84.96004	0.8
85.02895	2.3
86.03569	0.9
87.04440	0.8
88.99150	0.3
89.00881	0.2
90.01556	0.3
91.05435	0.5
93.02077	0.2
94.06564	0.3
95.04969	0.6
96.01554	0.4
97.02892	1.5
97.41372	0.2
97.96762	0.8
98.06011	0.2
98.21140	0.6
98.96000	0.4
98.97567	5.3
99.04390	0.3
100.02464	1.1
101.00855	15.4
101.95023	0.9
102.00966	0.9
102.02209	0.4
102.96865	0.7
103.00587	0.3
103.05421	0.4
105.00292	0.3
107.04935	1.1
109.02888	0.6
109.05057	0.3
110.01254	0.5
110.06008	0.6
110.97553	0.7
111.00201	0.3
111.01985	0.2
112.01001	0.2
112.99126	0.3
114.03024	0.4
115.00586	0.4
115.02395	0.7
115.97838	0.6
116.98605	3.7
117.02026	0.4
117.04044	0.4
118.01077	0.4
118.03493	0.9
119.01896	100.0
119.96032	0.7
120.01980	4.9
120.97875	0.6
121.01601	0.4
121.02343	0.4
121.06469	0.7
121.97556	3.3
122.97684	0.3
123.04372	0.2
124.01027	0.4
124.02380	1.4
124.07594	0.6
124.34200	0.3
124.93887	1.9
125.02418	0.3
126.02528	0.5
128.02313	0.3
128.98587	1.0
131.00142	0.5
131.01883	1.5
132.01921	0.5
133.01590	2.0
133.03424	1.3
134.99657	1.9
135.05016	0.4
136.04533	0.4
136.07576	0.4
137.02930	40.5
137.97037	0.5
138.03053	1.8
138.05463	0.8
138.07739	0.2
138.98885	0.4
139.02483	0.3
141.96516	0.5
142.03473	21.6
142.94882	1.2
143.00105	0.6
143.01903	1.5
143.03600	2.6
143.46774	0.3
144.02104	0.3
144.03297	0.2
144.05000	0.4
145.03397	0.5
146.99614	1.0
147.04295	0.3
149.01167	1.0
149.05977	0.7
150.05449	0.6
151.02669	0.5
151.04802	0.5
153.00609	0.3
154.07100	0.3
156.03214	0.5
157.03487	0.5
158.06572	0.7
158.99629	0.5
159.97607	0.4
160.04521	8.0
160.96010	1.8
160.97433	0.4
161.01218	1.5
161.02930	11.1
161.04564	2.3
162.03079	0.7
162.04285	0.4
163.02567	0.5
165.05103	0.9
165.96481	1.8
166.04933	0.9
166.08595	1.1
170.99594	0.3
173.02934	0.4
175.02768	0.4
175.04439	0.3
177.00674	0.7
178.05507	0.2
178.98590	0.3
179.02229	0.8
179.03973	11.6
179.05589	0.9
180.04031	0.4
183.06166	0.3
183.97559	2.9
184.04527	2.2
184.06093	0.7
184.09596	1.9
184.13261	0.4
185.02930	0.8
202.03821	0.4
202.05605	0.9
202.07436	0.3
203.03990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96220	16.1
57.03407	17.0
71.52682	32.4
73.02907	29.7
119.01884	100.0
131.01897	23.8
132.39444	16.4
137.02908	21.4
142.03471	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35625	0.1
55.87130	0.1
56.05025	0.8
56.81863	0.1
56.96546	0.1
58.06594	0.2
58.99843	0.2
59.06114	0.2
60.00652	0.2
60.04497	0.2
67.34168	0.1
70.06590	0.1
71.42634	0.1
71.95252	0.2
81.07077	0.1
82.06574	0.1
82.99799	0.9
83.06093	0.4
84.04482	0.3
86.99347	0.1
87.11492	0.1
95.06085	0.2
100.02485	0.5
101.00858	11.4
101.95018	1.2
102.00949	0.6
109.07558	0.1
110.06032	0.1
113.07151	0.2
115.02448	0.3
116.05588	0.4
116.98597	0.1
117.05082	0.1
118.03516	1.3
119.01904	100.0
119.96069	0.6
120.01994	4.7
121.01646	0.4
121.02338	0.4
121.07642	0.1
121.97440	0.1
124.02406	1.0
125.02637	0.2
125.07056	0.1
128.37247	0.1
133.03452	0.4
133.97496	0.1
134.02937	0.3
134.06551	0.2
136.04558	0.8
137.02937	51.0
137.97057	0.7
138.03018	2.5
139.03378	0.4
141.05061	0.3
142.03479	23.2
143.01849	0.3
143.03746	2.1
144.03255	0.4
144.05029	0.2
145.84462	0.1
155.98106	0.3
156.05054	0.4
156.13853	0.1
158.06657	0.9
159.06187	0.3
160.04538	10.0
160.98738	0.2
161.02924	7.0
161.04352	3.1
162.03154	0.2
162.04286	0.6
165.05127	1.2
166.05147	0.2
176.07654	0.3
178.03886	0.3
178.05577	0.6
179.03955	10.7
179.05428	1.4
180.03960	0.3
180.05351	0.4
181.04427	0.1
181.08356	0.1
183.06094	0.4
184.04503	1.4
184.06052	0.4
184.10909	0.2
185.02814	0.2
185.04375	0.1
202.05573	1.1
202.07115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99499	0.3
69.32055	3.3
73.41687	0.3
82.99842	1.2
100.02442	0.4
101.00861	18.5
102.00943	0.6
118.03498	0.5
119.01899	100.0
120.01988	4.4
121.02346	0.5
124.02459	2.0
137.02934	32.4
138.03040	1.4
142.03481	24.0
143.01898	0.4
143.03664	2.2
151.90013	0.3
160.04518	7.8
161.02928	8.7
161.04608	2.4
162.04314	0.5
163.29329	0.3
165.05075	0.6
173.70692	0.3
177.00928	0.4
179.03979	13.2
179.05429	0.5
180.04079	0.3
184.04536	0.8
202.05556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01875	2.3
56.96556	5.3
57.03169	0.5
57.03431	10.0
57.29223	0.5
58.03745	1.1
58.99858	0.8
61.02916	6.9
68.45096	0.4
69.03419	11.0
70.03743	1.7
70.99831	0.5
71.01331	1.0
71.04967	1.3
71.52069	1.0
73.02908	15.7
74.03235	0.9
77.00901	0.7
79.00649	1.3
81.02967	0.6
81.03393	3.9
82.03751	0.7
82.99804	0.8
85.02890	11.9
86.03219	1.6
86.03684	1.1
86.09718	0.8
87.04430	0.6
88.52726	0.4
88.99040	0.6
89.00839	0.5
89.02489	0.5
91.41768	0.5
93.51954	0.8
94.52740	1.2
95.02543	0.7
96.52548	0.7
97.02249	0.7
97.02872	10.3
98.03217	1.7
98.21165	0.6
98.97564	2.6
99.04454	1.4
99.51956	0.5
100.02495	2.0
100.52728	0.8
101.00867	16.2
101.02416	0.7
102.00900	2.4
102.02288	1.5
102.52455	2.3
103.00619	2.7
103.02296	1.8
103.03917	0.5
105.00343	1.0
106.52704	0.8
108.52429	0.7
109.02878	1.7
109.53279	1.0
110.03118	0.6
111.02898	1.6
111.52981	2.1
112.02795	1.8
112.99122	0.8
113.00862	1.4
114.00961	1.1
114.52448	0.9
115.00616	0.9
115.02431	2.5
116.02493	0.6
116.98608	1.5
117.02114	0.9
117.53066	0.7
118.01186	0.6
118.02788	0.6
118.03540	1.5
118.53835	0.5
119.01901	100.0
120.01988	9.0
120.03268	1.1
120.53479	0.7
121.01630	7.1
121.02385	0.6
121.03290	1.0
123.52982	1.6
124.02603	0.9
124.99982	0.9
127.03898	2.5
128.04234	0.7
128.98537	0.9
129.52989	1.1
130.02930	0.7
130.03984	0.7
131.00197	0.7
131.01892	8.5
132.01985	5.3
132.03430	1.0
132.53473	1.4
133.01628	5.6
133.03407	4.0
134.03551	0.5
134.99657	0.6
135.03178	0.9
135.52997	0.9
137.02940	34.2
138.03062	1.8
138.05511	1.3
138.53496	1.8
139.03374	1.1
140.02292	0.9
142.03479	18.9
143.00175	0.7
143.01907	5.7
143.03638	1.5
144.01985	5.1
144.53598	0.6
145.01596	5.1
145.03377	4.0
146.03581	2.1
146.99525	2.5
147.01439	1.2
147.03123	2.5
147.54074	1.0
148.01431	0.7
148.03761	0.6
149.01122	1.1
149.02946	1.6
150.03032	1.1
154.03712	1.0
155.01842	4.0
156.02037	4.0
156.03207	0.8
157.01607	4.0
157.03468	2.4
158.03583	2.1
159.03212	1.5
160.04524	6.9
160.97568	1.2
161.01289	1.2
161.02931	20.3
161.04543	1.0
161.61301	0.6
162.03075	7.0
163.02650	5.8
164.04683	0.6
165.05096	0.7
166.08684	0.8
168.02086	1.3
169.01627	0.9
170.01161	1.2
173.02963	5.2
174.03064	8.6
175.02713	7.3
175.04486	1.2
176.04742	0.6
177.00711	0.6
178.98706	1.1
179.02231	2.1
179.03964	11.9
179.05435	0.4
184.04564	3.2
184.05960	0.8
185.02986	3.7
185.04422	0.7
186.03081	4.2
187.02707	3.2
188.04584	0.8
191.03940	0.6
197.02956	0.5
202.02693	0.5
202.05649	0.9
203.03960	1.1
204.04163	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	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02379	0.7
53.03941	11.7
55.01860	4.0
55.05506	0.9
56.05022	1.2
56.96551	0.6
57.03413	0.9
58.06599	0.5
59.06116	3.8
65.03931	5.1
66.04715	0.5
67.05492	11.3
68.05010	1.1
68.99766	0.5
69.03413	0.9
69.07057	0.7
70.06579	2.0
70.22996	0.8
70.23406	1.0
71.04977	1.0
71.06062	0.5
72.08143	0.6
77.03916	1.6
79.05487	2.7
81.03394	2.1
81.04527	0.5
81.07046	4.1
82.06542	0.6
83.04955	1.0
83.06090	1.2
84.08122	0.5
85.02911	0.4
85.06526	0.8
85.07648	0.7
86.06046	0.5
91.05451	3.4
93.03379	0.8
93.07044	3.4
95.04952	100.0
95.08592	6.9
96.05284	1.5
97.02872	1.4
97.06507	1.7
97.07639	1.4
98.03667	0.7
98.06006	0.5
98.98453	4.7
99.04435	1.6
99.05543	0.6
99.08070	0.4
99.09142	0.4
105.03384	9.4
105.04478	5.9
105.07011	2.1
107.04969	0.9
107.08569	2.2
108.02084	0.7
109.02872	1.1
109.06499	1.9
109.07617	1.2
109.10126	1.3
110.03629	0.9
111.04423	1.2
111.08096	0.7
118.06532	0.4
119.04911	1.3
119.08573	3.2
121.03958	0.6
121.06493	0.8
121.07602	0.4
121.10115	1.1
122.03601	0.7
122.07153	0.6
123.04410	74.1
123.08027	3.2
123.11652	1.0
124.04692	0.7
124.07566	2.6
124.08661	1.5
125.01500	0.6
125.02337	5.2
125.05985	0.6
125.07101	1.7
125.09598	0.6
127.01566	1.0
127.03918	0.5
127.07496	0.4
129.06897	0.4
132.51691	0.4
133.02838	2.0
137.02301	0.9
137.05969	3.6
137.09598	2.5
138.09097	0.8
138.10129	0.5
140.04662	31.2
140.08174	0.6
141.05432	0.9
141.06802	0.3
142.07755	0.6
147.04382	0.7
147.07979	1.0
147.11638	0.8
148.08670	0.4
151.03867	0.4
152.04623	0.4
153.06946	1.1
155.05009	0.7
155.07018	19.9
155.08423	1.8
156.07413	0.4
165.01756	0.5
165.05424	1.4
165.09106	1.7
165.12726	0.6
166.06087	0.4
166.08560	0.7
166.09776	1.0
168.04149	0.6
168.09338	1.6
183.02811	0.5
183.04970	0.6
183.06474	6.5
183.08061	1.5
183.09973	1.1
183.11685	2.0
183.13818	1.2
184.09723	0.7
198.32564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35796	0.6
53.03933	2.7
53.14529	0.5
55.01868	10.0
56.96560	11.0
57.03429	38.1
58.03759	1.2
58.99854	4.2
59.04991	1.2
61.02917	22.3
67.05463	0.8
68.02639	1.0
68.98289	1.0
69.03419	37.2
69.96972	3.4
70.03745	1.0
70.99840	2.5
71.01339	3.4
71.04986	6.5
71.95232	0.9
73.02907	52.5
73.61155	0.7
74.03254	0.9
75.01913	0.7
75.04475	1.0
77.00890	2.4
81.01873	3.6
81.03403	15.9
82.02670	3.2
82.99813	3.7
83.01365	0.8
83.04951	0.8
83.99413	0.7
84.01552	2.2
84.95996	0.7
85.01405	1.0
85.02889	40.2
85.06473	0.6
85.09574	0.7
86.03230	0.9
86.03690	4.3
86.99310	2.6
87.01887	3.7
87.04461	3.5
88.02669	7.2
89.00871	1.6
89.01611	0.8
90.02421	1.6
91.03944	1.5
93.01871	6.2
93.51958	1.0
94.02668	6.0
94.99836	1.1
95.01613	1.2
95.03451	2.3
95.04937	1.3
96.01493	0.8
96.02386	5.3
97.02870	35.8
97.96822	1.0
98.03193	1.1
98.97569	9.3
99.01877	1.0
99.04437	6.4
100.00082	1.4
100.02661	5.5
100.05222	2.9
100.07581	0.8
101.00864	33.4
101.01529	1.4
101.02378	1.6
101.03406	1.3
102.00961	3.0
102.02401	13.7
102.52467	2.9
103.00639	0.9
103.02421	3.6
103.03185	2.3
103.03909	1.9
104.02131	0.9
105.00365	0.9
105.02000	1.9
105.02872	1.3
106.02659	2.5
107.03436	2.1
108.02393	6.9
108.52503	0.9
109.02901	7.3
109.53268	1.3
110.01331	1.4
110.02130	1.8
110.97525	1.8
111.02110	1.4
111.02915	17.2
111.52996	3.0
112.02702	1.6
112.99117	1.3
113.00849	12.3
113.02641	1.5
113.03403	1.1
113.53197	1.3
114.00938	1.4
114.02372	6.6
114.52464	1.4
115.02409	7.9
115.03185	2.3
115.03910	2.3
116.98605	4.7
117.02103	1.6
117.02916	6.2
117.03689	1.1
118.01108	3.7
118.03640	3.1
119.01901	100.0
120.01977	4.2
120.03390	3.9
120.53508	0.9
121.01624	2.4
121.03297	3.1
122.02100	1.2
122.06056	1.1
123.02899	9.5
123.53045	1.7
124.02557	1.0
124.03680	1.9
124.07571	0.8
125.00812	1.1
125.01765	1.0
125.02632	1.7
126.02499	1.5
126.03394	1.7
127.02391	3.3
127.03199	0.8
127.03912	9.2
128.02222	2.8
128.98595	3.2
129.00357	0.8
129.02905	6.1
129.03975	2.8
129.53003	2.4
130.03653	3.5
131.00253	1.6
131.01881	47.2
132.01935	6.5
132.03416	8.9
132.53508	1.7
133.01633	1.7
133.03432	9.1
134.03532	0.8
134.99612	1.7
135.02939	2.8
135.05019	1.0
136.03638	2.3
137.02931	21.6
137.54578	0.8
138.03404	9.6
138.05484	0.8
138.53424	1.7
139.02419	2.0
139.04192	1.5
140.07071	0.7
141.03949	3.3
142.01128	0.8
142.03482	12.6
143.00125	1.8
143.01875	44.5
143.54263	1.2
144.01970	4.7
144.03421	6.1
144.53590	0.8
145.01636	2.3
145.03418	23.1
146.03595	3.3
146.99632	2.4
147.01334	6.6
147.04103	3.5
147.05045	2.0
148.01468	0.8
149.01193	3.2
149.02954	7.4
149.54240	0.9
150.03149	1.0
151.04507	1.4
153.03932	4.2
154.03525	1.4
155.01868	32.9
156.01913	3.5
157.03445	16.9
158.03621	2.3
158.99574	1.3
159.01326	1.2
159.05048	1.8
160.02295	0.8
160.04529	9.4
161.02934	53.9
162.03090	7.5
162.04420	1.1
162.99094	0.8
163.02676	1.7
163.04504	4.2
165.02431	0.7
166.08623	2.9
167.01894	8.4
169.01666	0.8
169.03453	4.0
170.00497	1.2
171.05031	2.2
173.02934	58.0
174.03082	6.9
174.04454	1.4
175.02763	2.4
175.04520	5.0
177.00786	0.8
178.02444	0.9
178.05571	2.0
179.02182	0.7
179.03964	4.3
181.03552	1.9
183.01309	1.1
183.04814	1.0
183.06129	2.4
184.04567	2.6
185.02936	33.3
186.03058	5.8
187.02863	1.6
187.04489	4.7
188.01675	2.3
188.04597	0.8
189.00821	1.4
189.02403	2.9
189.06145	1.0
191.03969	5.4
196.04538	1.6
197.02969	5.6
199.04559	3.4
201.00751	1.3
201.02475	1.2
203.02203	1.6
203.03996	15.3
204.04155	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	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01865	11.2
55.05502	1.1
55.34692	0.7
56.00218	0.6
56.96557	10.2
57.03429	45.6
58.03765	0.9
58.99863	3.7
59.04977	1.0
60.02153	0.7
61.02615	1.3
61.02920	26.1
61.99825	0.7
67.05491	1.3
68.98274	1.3
69.03419	46.2
69.82901	1.8
69.83307	2.7
70.03743	0.7
70.99837	1.9
71.01342	4.7
71.04980	5.5
73.02907	60.8
74.03255	1.7
75.01886	0.8
75.04460	0.7
77.00896	4.2
78.00963	1.0
79.02155	1.9
79.05482	0.8
80.02925	1.0
81.01900	3.4
81.03409	17.7
81.07027	1.7
81.51974	0.6
82.02670	1.8
82.03725	0.8
82.06558	0.7
82.99841	2.6
83.01319	1.7
83.04949	1.1
84.96017	2.1
85.02895	52.8
86.03242	1.0
86.03680	1.8
86.99300	1.7
87.01902	4.1
87.04453	4.8
88.02676	7.5
88.52745	1.3
89.00854	1.4
89.02419	0.9
90.01520	1.0
90.02409	1.3
91.02129	0.7
91.03931	1.4
91.05471	2.0
93.01888	5.9
93.07025	0.8
93.51965	1.4
94.02653	9.7
94.52742	0.7
94.99808	1.3
95.01947	0.7
95.03409	1.4
95.04954	5.7
95.08632	0.9
96.02425	6.7
96.52441	1.3
97.02875	49.0
98.01300	0.8
98.03269	1.7
98.21384	1.0
98.97573	8.1
98.98447	3.0
99.01875	2.2
99.02866	0.7
99.04445	8.8
100.00079	0.9
100.02646	10.1
101.00869	30.9
101.01527	1.1
101.02385	2.4
101.03433	2.4
102.00927	3.2
102.02394	20.9
102.52444	3.6
103.00637	1.3
103.02406	3.8
103.03179	4.0
103.03925	1.8
105.00387	1.7
105.01933	1.3
105.03399	5.4
106.02658	2.9
107.01781	1.0
107.03429	2.9
108.02385	8.0
109.02941	10.3
109.06471	1.0
109.53207	0.8
110.01343	0.8
110.02155	2.0
110.97536	1.4
111.02106	1.2
111.02910	20.8
111.53011	3.0
112.02722	1.4
113.00864	9.2
113.01627	1.4
113.03413	0.8
113.53191	2.1
114.00913	1.2
114.02392	5.8
114.52456	1.5
115.02412	7.9
115.03168	4.4
115.03935	3.0
116.98618	6.7
117.02145	1.0
117.02909	6.2
117.53090	0.8
118.01089	2.4
118.02752	0.7
118.03587	3.5
119.01901	100.0
119.51953	0.7
120.01912	7.5
120.03427	3.2
120.05291	0.8
121.01622	2.6
121.03236	2.5
121.53190	1.3
122.02124	1.0
122.53738	1.8
123.02079	0.7
123.02898	12.9
123.04367	4.8
123.08054	1.0
123.53014	2.0
124.02734	1.1
124.03703	2.0
124.04659	1.5
125.01725	0.8
125.02603	1.3
125.53235	1.0
126.02460	1.6
126.03416	1.9
127.02394	1.8
127.03174	0.5
127.03896	11.1
128.02307	2.2
128.04239	1.1
128.98593	2.4
129.02005	1.2
129.02887	8.0
129.03938	3.3
129.52956	1.2
130.03650	4.0
130.53816	1.0
131.01888	60.0
132.01900	6.5
132.03435	12.9
132.53488	2.0
133.01645	2.4
133.03461	9.1
134.03526	1.2
134.53677	2.2
134.99643	2.6
135.02879	3.5
135.53036	1.1
136.03654	2.2
136.04553	1.1
136.53801	0.8
137.02939	19.6
137.05920	1.7
137.07903	3.0
138.03409	16.6
138.05507	1.3
138.53539	2.6
139.01434	0.7
139.02412	2.3
139.04214	1.6
140.02264	0.8
140.04637	1.4
141.03914	1.6
142.03484	11.6
143.00095	1.8
143.01880	47.9
143.54263	1.1
144.01881	4.8
144.03441	6.1
144.53476	0.8
145.01601	2.1
145.03430	29.7
145.05081	1.3
145.99947	2.4
146.02344	0.7
146.03554	4.2
146.99646	3.2
147.01367	7.1
147.03940	3.7
147.05035	1.5
147.54036	1.5
148.04756	0.7
149.01157	2.8
149.02940	12.3
149.54185	2.7
150.03156	1.3
151.02589	1.0
151.04370	2.0
153.03908	3.7
154.03543	1.3
155.01869	41.2
155.06903	0.9
155.54184	1.3
156.01942	5.7
157.01616	1.7
157.03450	19.7
158.03535	3.3
158.99698	0.7
159.01344	1.5
159.04993	2.4
160.04501	8.2
161.01355	2.1
161.02937	67.4
162.03070	8.6
162.04416	1.3
162.99205	0.8
163.02718	2.5
163.04485	5.4
164.04620	1.1
165.00757	1.0
165.02455	1.4
166.08597	0.9
167.01872	9.3
168.02061	1.6
168.09315	2.1
169.01604	0.6
169.02074	0.8
169.03471	5.6
170.99692	1.1
171.01457	1.5
171.05003	2.8
173.02939	74.9
174.03090	11.3
174.04417	1.1
175.02727	2.1
175.04521	7.1
177.00682	2.2
177.02333	1.3
177.04144	0.7
178.02606	1.4
178.05598	1.9
179.02003	2.0
179.04002	4.4
180.05095	0.9
181.03458	1.2
183.03120	0.9
183.04951	1.0
183.06406	1.7
183.11586	1.5
183.54907	0.8
184.04535	4.6
184.05940	1.3
184.09717	0.8
185.02934	39.6
186.03047	5.6
187.02950	1.0
187.04503	5.4
188.04671	0.8
189.00752	1.3
189.02414	1.9
191.03986	7.9
192.04001	1.1
193.03476	1.0
196.04593	4.7
197.02957	7.2
197.04633	1.0
198.03215	1.2
199.04498	2.8
200.04745	0.8
201.00665	1.6
201.02444	1.7
203.03979	20.4
204.04233	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
51.84390	0.5
53.03951	1.0
55.01875	1.1
55.05506	7.9
57.03423	1.4
57.07066	3.2
58.02955	34.5
58.06553	0.5
59.05021	0.5
60.97146	0.5
63.31436	0.5
65.03929	0.5
67.05498	22.2
69.07060	64.1
70.06583	3.4
70.07426	0.4
71.04988	0.8
71.08627	0.8
71.31800	0.4
71.76239	0.4
72.08137	0.5
74.06075	1.0
79.05485	6.1
81.07047	20.4
82.06562	0.5
83.04979	1.9
83.08611	7.4
84.04479	0.5
84.08127	9.2
84.08580	0.8
85.06517	0.5
86.06066	1.4
91.05476	4.5
93.07035	10.4
95.04948	3.1
95.08601	7.2
97.06533	4.1
98.06042	2.3
98.09687	2.6
98.21465	1.1
98.97572	0.8
98.98457	1.7
100.07601	7.1
105.03369	1.2
105.07024	15.0
107.08582	18.3
108.08144	0.8
108.08855	0.6
109.06512	2.3
109.10145	51.8
110.10484	0.9
111.08094	1.1
112.07618	2.7
114.09154	15.0
116.98589	0.6
117.98918	0.6
119.08579	2.2
121.10128	2.0
122.09661	0.7
123.04437	1.1
123.11694	8.6
124.11176	0.7
125.13253	0.7
126.09138	11.9
126.12798	1.6
128.10722	0.8
133.10120	29.6
134.10475	1.0
134.99658	0.6
135.11676	20.1
136.07564	0.8
137.05956	0.6
137.13269	1.0
138.12761	21.0
140.10681	1.1
140.14342	1.4
147.11673	4.4
151.11174	9.8
153.12732	13.0
154.08667	0.5
154.13013	0.5
154.15881	2.0
155.08537	0.6
164.07063	0.7
164.11440	0.6
164.14310	2.7
165.12750	2.7
168.09329	0.7
182.00822	0.8
182.08174	1.0
182.15390	100.0
183.11694	1.5
183.15759	2.5
192.22295	0.4
203.26006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.2
56.96553	6.6
57.03167	0.8
57.03425	8.1
58.06566	1.0
58.99844	1.3
61.02920	4.0
69.03417	8.8
70.02431	3.8
70.68704	0.8
71.04964	1.2
73.02907	7.8
73.49438	0.7
75.59016	0.7
77.00864	1.4
81.03396	2.3
82.06572	1.3
84.96026	0.8
85.02883	7.4
87.04435	1.7
88.02664	1.3
89.00877	1.1
90.02387	0.8
91.05469	8.2
95.04947	3.3
96.02384	1.7
97.02862	8.7
97.96816	0.7
98.21466	0.9
98.97566	8.0
99.04438	1.2
100.02484	2.5
100.07587	2.1
100.11241	1.5
101.00846	5.1
102.02374	3.1
102.80499	0.8
108.02355	2.1
108.08157	0.9
109.03042	1.2
110.97530	1.6
111.02887	2.3
113.00821	1.9
113.01739	0.8
115.02477	1.5
115.03168	1.5
115.97878	0.9
116.98610	3.6
118.01106	1.1
119.01884	11.9
119.04922	6.3
119.53205	0.7
121.03162	0.8
123.04412	9.1
127.02438	1.0
127.03895	1.0
128.02328	1.9
128.98589	1.9
131.01880	10.2
132.03426	1.3
133.03433	3.1
134.99611	1.2
136.07565	20.1
137.02898	1.4
138.03340	2.1
138.05435	1.5
140.98532	1.1
143.00136	0.8
143.01898	5.6
144.99762	2.6
145.03426	4.4
146.07970	1.2
147.04321	2.4
149.02921	2.9
154.03450	2.4
155.01886	4.5
157.03458	3.3
158.49274	0.8
158.99629	1.7
159.01277	1.2
160.04521	1.0
161.02908	7.0
163.00853	0.8
163.04506	1.0
164.05695	1.5
164.07065	1.6
165.05400	3.7
167.01917	1.4
168.01457	1.6
170.99640	1.3
173.02921	8.1
175.04440	0.9
177.00703	2.3
177.02406	2.5
182.05760	100.0
182.08014	6.4
183.06116	1.4
185.02950	4.4
195.06613	0.8
197.03008	1.1
200.03976	1.0
201.00603	0.9
203.03976	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03940	6.1
55.01870	7.6
55.05501	27.6
56.96559	13.2
57.03433	14.8
57.07063	9.8
59.05002	1.9
65.03928	5.0
66.56155	1.1
67.05497	85.8
69.03417	6.5
69.07058	26.4
70.92220	3.3
71.01346	20.8
71.04973	9.1
71.95256	1.8
73.02939	1.1
74.77865	1.1
76.96735	1.2
79.05483	97.5
80.05830	1.5
81.03409	49.5
81.07047	57.1
81.53192	1.2
82.03790	1.2
82.07397	1.9
83.04970	64.8
83.08608	9.1
85.02885	2.4
85.06535	5.8
85.08331	1.1
89.63094	1.4
91.05470	51.4
93.07033	100.0
94.07330	1.6
95.04400	2.4
95.04958	22.5
95.08599	21.9
97.06519	35.1
97.10172	2.6
98.97570	43.4
99.04434	1.9
99.08082	3.0
103.05460	2.2
105.04472	1.3
105.07005	14.0
107.04951	14.9
107.08581	44.5
109.06502	5.3
109.10144	5.8
111.04440	2.8
111.08060	2.4
116.98607	55.3
117.07011	16.9
119.08572	25.8
121.06502	14.8
121.10125	51.9
123.04382	1.3
123.08041	1.9
125.05974	26.5
125.09603	1.9
130.07782	3.6
133.10112	4.6
134.99641	61.0
135.04395	4.7
135.08087	6.8
135.11681	65.2
136.05087	1.6
136.12024	2.0
137.09622	8.0
139.07530	1.7
139.11165	1.9
140.00166	5.9
145.10098	28.9
151.07491	2.1
153.00690	11.8
153.05479	2.7
153.12724	2.4
158.01257	11.0
163.03923	3.9
163.11154	58.7
165.07030	1.7
166.07767	1.6
176.02240	1.6
181.02737	1.5
181.04944	9.0
181.06313	1.7
181.08647	3.1
181.10126	3.7
181.12195	39.7
181.15831	1.9
182.00806	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03932	0.6
55.01846	1.2
55.05269	0.3
55.05490	2.1
56.96542	0.7
57.03424	0.8
57.07066	2.1
59.04990	2.9
65.03923	0.4
67.05494	3.8
69.03425	2.0
69.07051	3.2
70.65816	0.8
70.66174	0.7
73.02900	0.7
77.03937	0.4
79.05476	7.1
81.03416	0.4
81.07038	6.7
83.04960	2.0
83.08579	0.7
87.04449	0.6
91.05460	4.2
93.07030	19.4
95.04932	1.5
95.08586	15.1
96.35168	0.4
97.02856	0.4
97.06505	2.8
98.21379	0.4
98.97562	4.5
103.05447	0.4
105.07007	2.9
107.04930	1.6
107.08575	32.3
108.08930	0.5
109.06472	0.5
109.10135	2.1
111.04458	1.8
111.08050	1.4
114.67960	0.3
116.98603	4.4
117.06995	1.2
119.08539	4.3
121.06490	5.6
121.10118	18.0
123.08046	4.3
125.05972	3.9
130.07750	0.7
134.99683	2.3
135.08089	0.9
135.11670	43.6
136.11975	1.2
137.09602	0.4
137.13217	1.6
139.07518	8.4
140.00179	0.4
143.08531	0.4
145.08987	0.7
145.10097	11.8
150.44919	0.4
151.07507	0.4
153.00760	0.7
153.12695	2.6
154.93896	0.4
163.03871	0.4
163.11153	30.6
164.11464	0.9
166.18587	0.4
181.05040	0.7
181.12199	100.0
182.12560	2.7
196.37027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03931	9.2
55.01866	7.4
55.05502	28.7
56.96567	16.7
57.03431	11.0
57.07067	18.1
65.03934	5.8
67.05497	72.2
69.03413	5.1
69.06695	2.9
69.07059	27.2
71.01348	19.9
71.04979	7.2
71.58124	2.6
71.58514	3.0
71.77172	1.9
71.95259	3.7
77.08949	1.9
77.57413	2.1
79.05035	4.4
79.05486	85.1
81.03410	38.6
81.07049	44.5
83.04971	66.6
83.05350	1.5
83.08606	9.5
85.02905	3.7
85.06528	5.6
91.05470	43.3
93.07035	79.9
95.04960	26.1
95.08592	16.0
97.02892	2.8
97.06528	37.8
97.10163	4.2
98.97569	83.8
99.04437	3.2
99.08100	3.5
103.05425	2.3
105.07012	14.0
105.77890	2.3
107.04944	15.1
107.08580	48.9
109.06497	4.9
109.10149	8.0
111.04454	5.1
111.08069	3.9
111.95631	2.2
116.98608	96.1
117.06985	15.5
119.08565	19.8
121.06492	13.6
121.10134	45.8
125.05985	35.2
130.07762	3.4
133.10124	4.1
134.99643	100.0
135.04399	4.8
135.08040	9.2
135.11674	53.1
136.12114	2.5
137.09602	8.7
140.00177	7.3
145.10098	30.9
151.07535	4.2
152.06155	2.7
153.00676	15.6
153.01642	1.8
153.05460	3.6
158.01239	20.2
163.03903	7.4
163.11169	62.5
164.07147	2.3
164.11519	4.2
164.53090	2.2
165.07036	3.5
166.07776	3.0
170.18845	2.1
176.02263	3.4
181.04999	14.5
181.08626	4.8
181.10040	4.8
181.12199	47.4
181.15767	2.7
182.08090	3.3
188.39442	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.87984	1.1
53.03914	1.6
55.01866	2.3
55.05488	4.4
56.96554	2.6
57.06802	1.6
57.07065	21.9
59.04982	3.6
59.05316	1.0
65.68039	1.1
67.05489	1.6
69.03426	1.1
69.07053	5.9
71.65810	1.4
79.05481	10.0
81.03407	7.4
81.07042	5.4
83.04968	50.9
85.06469	1.2
91.05464	6.1
93.07030	10.8
95.04955	19.4
95.08588	3.5
97.06516	28.1
98.97558	8.0
105.07021	5.3
107.04931	4.2
107.08588	13.5
111.04431	1.8
116.98598	11.0
117.07023	3.3
118.98383	1.0
119.08573	4.6
121.06475	4.3
121.10130	15.6
125.05974	65.4
130.07771	2.3
134.99663	13.3
135.04410	3.2
135.08070	2.7
135.11693	7.5
136.07555	2.1
139.07559	1.3
140.00154	2.0
145.10104	13.0
151.07515	1.4
153.00693	3.8
153.05429	1.6
158.01244	3.1
163.03908	4.1
163.11163	100.0
164.11494	3.8
181.04919	6.6
181.06398	2.0
181.08566	2.2
181.10092	3.5
181.12196	32.9
182.00928	1.6
182.05775	3.6
182.08121	1.4
182.12570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.44629	0.8
53.03927	2.0
55.01857	2.7
55.05502	30.7
56.05843	1.3
56.96551	5.4
57.07051	3.8
58.57069	0.9
59.04977	2.9
65.03921	1.0
67.05497	5.7
69.03397	3.6
69.07054	5.2
71.01331	1.2
71.04983	4.1
71.95238	1.3
73.02865	0.9
79.05096	1.0
79.05488	11.7
81.03422	2.1
81.06622	0.9
81.07047	10.1
81.35803	0.7
83.04975	9.4
83.08604	23.7
85.06514	3.6
86.06031	2.8
91.05466	6.5
93.07030	23.6
95.04943	6.3
95.08591	14.3
97.02853	3.3
97.06509	7.2
98.06028	1.3
98.97571	30.3
99.04438	17.9
105.07056	4.0
107.04938	3.7
107.08578	32.7
108.08911	1.2
109.06525	1.4
109.10127	4.4
111.04413	2.2
111.08061	2.9
113.05984	2.1
116.98612	33.7
117.06986	1.5
119.08543	5.3
121.06516	6.9
121.10122	20.8
123.08051	4.1
125.05971	13.3
130.07715	1.2
134.99635	34.7
135.04391	1.9
135.08017	2.8
135.11673	38.2
136.05144	1.6
137.05956	1.3
137.09598	1.7
137.13257	1.4
139.03951	1.1
139.07532	7.7
139.11119	0.9
140.00208	2.5
143.42200	0.8
145.10103	11.3
151.07518	2.4
153.00693	6.1
153.05479	1.7
153.12718	3.2
158.01225	5.8
163.03882	2.0
163.09778	1.9
163.11162	38.1
164.06958	0.9
164.11438	1.4
166.02585	1.0
166.07686	2.4
181.04929	5.5
181.06465	3.3
181.08609	5.0
181.12204	100.0
182.00916	1.4
182.12537	3.3
191.92712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.33837	0.3
51.02377	0.7
53.03934	1.4
55.01865	1.7
55.05503	2.1
56.05016	0.5
56.96568	0.6
57.03425	4.0
57.07067	12.9
59.04988	1.5
59.06104	1.0
65.03934	2.5
66.04716	0.7
67.01851	0.4
67.05489	3.3
68.05023	0.8
68.99783	0.7
69.03416	1.6
69.07058	3.1
69.96926	0.5
71.04977	1.0
71.59972	0.6
77.03913	0.8
78.04683	2.1
79.05479	9.6
80.06247	0.7
81.03413	5.1
81.04517	0.5
81.07043	5.0
82.04179	0.5
83.04967	25.6
83.08609	0.7
84.04482	0.5
84.05311	0.5
85.02898	0.7
85.06513	0.9
89.03895	1.3
90.04688	1.2
91.05468	11.0
92.06223	0.5
93.03387	1.3
93.07030	8.5
94.04165	0.5
95.04955	14.9
95.05972	0.6
95.08591	2.0
96.05293	0.5
97.02865	1.2
97.06519	14.9
97.07600	0.7
98.97572	4.2
103.05448	0.8
105.03384	1.1
105.04488	0.6
105.07014	4.2
106.04164	1.2
107.04935	6.2
107.08580	9.5
108.05709	1.5
109.06515	3.4
109.07643	0.5
109.10131	1.6
110.03613	0.8
110.06079	0.4
110.07170	0.4
111.04418	1.4
111.08022	0.9
116.98614	4.4
117.07004	1.6
118.04182	0.9
119.04945	1.0
119.05993	0.5
119.08536	2.2
120.05756	0.8
121.02834	1.0
121.06481	6.0
121.10134	9.8
122.03597	0.9
122.07166	1.3
123.04415	5.1
123.05333	0.6
123.08045	1.2
125.02351	0.7
125.05974	36.9
126.06309	1.0
129.88615	0.4
130.07765	1.0
133.06517	0.4
134.99646	3.5
135.04382	3.1
135.08025	1.8
135.11682	5.2
136.05231	2.8
136.07542	0.7
137.05962	15.1
138.03114	1.3
138.06746	4.8
139.03862	0.7
139.07518	0.8
139.09747	0.7
140.08159	0.7
143.08557	0.6
145.10109	6.2
148.05171	41.5
149.02313	0.7
149.05984	2.7
151.03893	5.7
151.07544	2.3
153.00754	0.5
153.05440	1.0
153.09062	0.7
163.03871	2.3
163.11160	55.2
164.07016	0.5
164.11560	1.8
165.05457	1.6
165.06819	0.3
166.02571	0.5
166.06206	1.6
166.07629	0.6
167.03383	0.9
171.06479	0.4
175.64247	0.4
181.05128	8.1
181.08572	100.0
181.12131	18.5
181.15744	0.8
182.04456	0.4
182.09013	3.2
198.13684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0856
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	2.3
53.94587	0.5
55.01857	1.8
55.05512	2.6
56.96553	1.4
57.03433	3.8
57.07068	13.9
59.04983	1.5
65.03936	2.9
65.60938	0.4
66.04688	0.6
67.05491	3.7
68.05032	0.5
68.99763	0.5
69.03412	1.6
69.07055	4.4
71.04971	0.8
71.58431	0.8
77.03929	0.9
78.04685	2.2
79.05479	10.7
80.06266	0.7
81.03414	5.4
81.07043	6.2
82.04196	1.0
83.04972	30.3
85.02874	0.9
85.06522	1.3
87.47949	0.4
89.03927	2.2
90.04687	1.8
91.05469	12.3
92.02599	0.8
92.06264	0.8
93.03393	1.7
93.07035	10.2
95.04961	16.7
95.08614	2.3
97.02868	1.0
97.06519	18.9
98.97578	4.8
103.05450	1.2
105.03390	1.2
105.04506	0.8
105.07021	5.3
106.04156	1.9
107.04932	6.7
107.08585	9.1
108.05750	2.3
109.02866	0.6
109.06505	4.3
109.07650	0.6
109.10141	1.3
110.03656	0.9
111.04404	1.2
111.08063	0.7
116.98603	4.9
117.06991	1.5
118.04136	0.9
118.66210	0.4
119.04940	1.1
119.08581	2.2
120.05716	0.8
121.02893	0.6
121.06487	8.6
121.10130	12.3
122.03642	1.5
122.07155	1.7
123.04431	5.6
123.08022	1.6
125.05976	39.8
130.07727	1.3
134.03610	0.7
134.99640	3.9
135.04408	3.1
135.08102	2.3
135.11674	6.2
136.05193	3.5
136.07547	1.3
136.08652	0.6
137.05960	17.5
137.07025	0.9
137.09552	0.6
138.03119	1.3
138.06758	5.8
139.03871	0.8
139.07480	0.7
140.08165	0.7
143.08513	0.6
145.10101	8.5
147.08061	0.5
148.05168	44.6
149.02338	0.7
149.05995	3.4
151.03896	7.4
151.07545	2.9
153.05507	1.3
153.06990	0.6
153.09050	0.7
158.01282	0.4
163.03951	2.7
163.07527	1.3
163.11159	64.3
164.08220	0.6
164.11497	1.3
165.05446	2.2
165.06700	0.4
166.02628	1.1
166.06198	1.9
166.07594	0.7
181.05078	9.1
181.08572	100.0
181.12143	19.1
182.09024	2.5
191.02748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	5.0
55.01867	9.9
55.05504	31.3
56.96569	0.9
57.03418	4.6
57.07072	1.8
59.04984	1.2
65.03917	3.1
67.05496	100.0
68.05820	0.9
69.03413	1.5
69.07056	16.7
70.13181	4.4
71.04964	2.1
77.03878	0.9
79.05482	67.1
80.05805	1.3
81.02954	1.3
81.03412	21.3
81.07046	95.3
81.27482	0.7
83.04970	35.2
83.08604	15.0
85.06522	2.7
91.05469	55.4
92.05766	0.9
93.07034	43.5
93.49635	0.8
94.07330	1.4
95.04957	14.5
95.08595	72.9
96.08929	1.1
97.06517	31.3
97.10166	3.9
99.08057	2.0
105.04515	1.3
105.07018	31.8
105.07730	1.6
107.04905	1.0
107.08587	9.9
109.06509	7.2
109.10149	13.5
111.08057	9.1
113.09625	7.3
117.07010	2.2
119.04930	1.9
119.08566	33.2
120.08870	0.9
121.10137	5.1
123.04376	2.2
123.08064	5.1
123.11734	1.1
131.08568	1.3
133.02827	2.6
133.10115	22.4
134.10468	0.8
135.11673	9.0
137.09595	2.4
147.04387	3.5
159.11659	1.0
161.05923	2.6
161.09613	0.8
161.13242	14.1
179.03371	9.2
179.06845	2.6
179.10706	1.8
179.14284	45.8
180.14673	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	181.0855
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03941	0.8
55.01861	0.8
55.05501	0.5
57.07058	0.4
60.23714	0.3
65.03932	1.3
66.04694	0.3
67.05502	1.8
68.05008	0.3
68.99777	0.6
69.03433	0.5
69.07048	0.6
71.04962	0.3
77.03907	0.5
78.04694	2.8
78.87843	0.3
79.05482	3.9
80.06245	0.3
81.03397	1.0
81.07037	1.1
82.04185	0.4
83.04974	0.9
83.08613	0.3
85.06548	0.2
89.03896	1.4
90.04212	0.3
90.04672	1.3
91.05466	8.4
92.02619	0.3
92.06258	1.0
93.03396	1.1
93.07030	1.9
94.32948	0.3
95.04960	4.4
95.08596	0.8
97.02873	0.6
97.06511	0.9
98.97569	1.7
102.23756	0.4
103.05460	0.6
105.03401	1.0
105.04480	0.3
105.07030	0.3
106.04182	1.7
107.04939	4.7
107.08575	1.0
108.05740	2.0
109.06516	3.4
110.07227	0.6
111.04433	0.4
111.08035	0.5
116.98610	1.4
118.03333	0.3
118.04131	0.6
119.04926	1.0
119.08553	0.4
120.05705	1.2
121.02827	0.9
121.06515	2.4
121.10154	1.4
122.03636	0.9
122.07181	1.0
123.04405	4.4
123.08063	0.5
125.06016	0.7
134.99632	1.2
135.04399	1.9
135.08032	0.9
135.11697	0.4
136.05194	2.5
136.08720	0.3
137.05954	15.0
138.03113	1.0
138.06761	6.3
140.08142	0.4
148.05170	46.0
149.05740	1.4
151.03889	6.1
151.07497	1.5
153.05408	0.5
153.09058	0.5
163.03882	0.8
163.09918	0.4
163.11203	0.9
165.05481	1.6
166.02615	0.4
166.06244	1.3
167.03403	0.5
181.05226	4.0
181.08568	100.0
182.08936	2.7
190.18855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	2.3
55.01851	3.7
55.05500	8.9
57.03425	9.4
57.07055	2.2
61.66214	0.7
65.03937	1.5
67.05494	41.4
69.03413	2.6
69.06747	1.0
69.07061	10.3
71.04976	4.0
71.36831	1.8
71.37172	1.6
79.05032	1.5
79.05482	27.1
81.03399	1.2
81.07046	100.0
82.07336	0.8
83.04971	7.3
83.08589	3.6
85.06522	8.0
91.05469	30.7
92.05795	1.2
93.07032	38.1
95.04986	5.7
95.08594	73.1
96.08929	1.4
97.06521	15.4
99.08088	10.2
105.07018	34.9
106.07354	1.4
107.08573	17.9
109.06503	7.2
109.10138	5.4
111.08086	6.3
113.09673	1.3
117.06969	1.9
119.04935	2.8
119.08563	52.3
121.10126	16.2
123.04390	1.3
123.08052	10.0
123.11681	1.7
131.08464	1.1
132.99826	0.8
133.02914	0.9
133.10112	34.5
134.10490	1.0
135.11679	32.5
137.05930	1.2
137.09599	3.3
137.13223	2.8
145.29893	0.9
147.04405	2.8
151.07587	1.3
151.11115	1.6
161.05942	1.2
161.13235	92.6
162.13550	2.4
179.03383	6.0
179.06943	2.6
179.10747	2.3
179.14282	93.4
180.14621	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03922	2.9
53.75179	0.9
55.01871	7.9
55.05509	11.2
56.96567	4.6
57.03434	9.1
57.07054	1.8
59.04990	1.4
60.98724	0.7
61.07228	0.8
61.83574	0.8
65.03922	3.4
67.05499	46.2
69.03401	3.9
69.03749	1.0
69.07059	8.7
71.04978	5.5
71.20131	0.9
71.20456	1.3
71.50011	0.9
72.01136	0.9
72.04458	0.7
73.02920	0.8
73.20411	0.8
77.03897	1.4
79.05487	33.1
80.04976	1.0
81.03404	1.9
81.07047	100.0
82.07359	2.4
83.04974	8.1
83.08616	5.7
85.06552	7.0
89.03915	1.2
91.05470	36.7
93.07034	39.1
94.07346	1.1
95.04966	11.3
95.08595	74.9
96.08895	2.1
97.05954	1.5
97.06524	15.8
98.97538	1.2
98.98386	1.3
99.08093	10.1
103.05475	1.1
105.07018	39.6
106.07354	1.2
107.04918	2.0
107.08585	17.1
108.04494	1.2
109.02839	1.3
109.06513	8.8
109.10150	8.3
111.08055	6.0
113.09633	1.5
115.05450	1.9
117.06998	3.0
119.01760	0.9
119.04937	12.2
119.08566	54.2
121.06431	1.9
121.10143	12.6
122.10471	0.9
123.04418	8.3
123.08065	11.2
123.11681	2.4
126.02576	1.3
131.08543	1.1
133.02832	5.3
133.06519	5.3
133.07349	1.2
133.10118	35.2
134.05925	1.3
134.10464	1.2
134.25354	0.9
135.04422	2.0
135.08076	1.5
135.11681	26.5
136.05170	2.1
137.02258	1.1
137.05972	1.8
137.09563	6.2
137.13184	1.5
137.53293	1.1
146.03575	1.9
147.04408	12.1
150.10330	0.8
151.03851	4.3
151.07565	4.9
151.08632	1.0
151.11153	1.8
151.14848	1.3
152.07021	1.5
161.05968	8.4
161.09663	5.4
161.13240	71.3
162.09142	1.0
162.13626	2.1
164.04544	1.0
178.07710	1.3
179.03378	26.8
179.06873	8.8
179.08560	1.9
179.10756	8.6
179.14293	83.9
180.06581	2.4
180.10185	1.3
180.14662	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.64943	1.7
53.03931	6.5
55.01859	14.6
55.05504	27.2
57.03436	3.2
57.07066	2.1
61.26731	1.5
65.03931	4.1
66.88448	1.7
67.05495	100.0
69.03410	4.8
69.07054	13.5
71.04971	1.8
71.58630	2.3
79.05485	57.5
81.03401	20.7
81.07047	89.0
82.07370	1.9
83.04967	35.1
83.08606	10.6
85.06539	4.0
91.05467	57.9
93.07028	37.7
95.04968	15.3
95.08592	67.6
96.81638	1.7
97.06520	32.1
97.10168	3.1
99.08089	1.9
105.07011	33.6
106.06574	1.7
107.04955	1.8
107.08601	12.6
108.04472	2.7
109.02901	1.7
109.06487	8.6
109.10142	13.9
111.08080	10.0
113.09647	5.7
117.06979	2.0
119.04941	8.8
119.08568	29.9
121.06523	2.2
121.10117	6.3
123.04444	9.3
123.08073	6.1
128.94675	1.5
131.08534	2.1
133.02811	4.5
133.06433	4.0
133.10106	22.1
135.11673	7.3
136.05202	2.7
137.09610	2.5
139.07726	2.1
147.04372	13.2
150.37180	1.7
151.03926	4.6
151.07521	4.0
152.07074	2.2
161.05946	8.9
161.09615	3.1
161.13255	13.8
162.09032	2.1
179.03384	33.7
179.06863	7.4
179.10706	6.2
179.14291	48.3
180.10187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.34829	1.2
53.03928	4.3
55.01865	2.9
55.05503	19.7
55.35736	1.2
56.96561	1.8
57.03432	6.6
57.07071	5.2
58.21819	1.0
59.05012	1.3
59.34737	1.1
63.39223	1.2
65.03921	3.3
67.05496	88.3
68.05822	1.6
69.03419	8.0
69.07057	14.0
70.00340	6.7
71.04987	7.7
73.20457	1.1
79.05486	25.3
81.03398	4.9
81.07046	70.9
82.07378	1.2
83.04971	5.9
83.08584	4.1
85.10181	1.4
91.05470	22.2
92.05771	1.1
93.06435	1.6
93.07030	32.1
95.04957	27.5
95.08592	100.0
96.08935	2.5
97.06518	3.8
98.20686	1.5
98.49625	1.3
105.03374	1.3
105.07018	26.0
106.07349	1.9
107.04948	2.8
107.08577	16.2
109.06496	15.9
109.10144	47.7
111.08069	1.1
117.06979	2.2
119.04932	6.8
119.08561	23.1
121.06525	1.8
121.10110	6.9
123.04411	9.3
123.08049	22.4
123.11686	3.1
126.43251	1.2
133.02827	6.6
133.06468	4.1
133.10121	12.4
135.04393	2.2
135.11688	9.8
137.05923	1.6
137.09593	22.0
137.13226	2.9
147.04375	6.4
151.03922	1.7
151.07536	3.1
151.11188	2.4
151.14806	12.1
161.05968	4.0
161.09563	3.0
161.13274	11.1
164.54500	1.2
167.14304	1.1
179.01845	1.2
179.03365	28.8
179.06604	5.4
179.08388	2.3
179.10675	5.1
179.14287	54.8
180.06493	1.5
180.07947	1.3
180.10109	2.6
180.14508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03922	4.4
54.09178	1.1
55.01865	6.5
55.05504	22.2
56.96531	2.2
57.03434	7.9
57.07067	7.1
59.04971	3.5
65.03922	4.0
67.05495	65.3
68.62418	1.0
69.03409	3.7
69.07057	17.6
71.04987	5.8
71.60405	2.6
72.78194	1.0
77.03934	0.9
79.05029	1.9
79.05481	32.0
80.73347	1.1
81.03399	3.9
81.07047	100.0
83.01469	1.1
83.04974	5.8
83.08604	6.5
85.06520	2.7
85.10146	1.2
91.05470	22.5
93.07030	30.2
94.03699	1.1
95.04958	23.2
95.08592	79.2
96.08905	1.8
97.06512	6.3
103.05437	1.2
105.03349	1.6
105.07023	29.3
107.04916	2.2
107.08574	16.5
108.04409	1.2
108.05636	1.1
109.02885	1.1
109.06512	23.9
109.10143	28.9
111.08052	3.5
112.82835	1.2
115.05459	1.2
115.55647	1.2
117.06996	2.2
119.04918	8.1
119.08562	24.6
121.06490	3.0
121.10118	9.8
123.04417	9.1
123.08050	24.2
123.11694	2.8
133.02856	5.7
133.06445	6.6
133.10114	13.7
134.05974	2.3
135.04424	2.5
135.11681	6.6
136.05130	2.6
137.05917	1.4
137.09602	11.9
137.13217	2.2
147.04388	13.7
151.03889	3.9
151.07500	3.8
151.11124	2.5
151.14796	5.7
152.07042	1.6
161.05977	8.2
161.09602	3.5
161.13245	17.3
162.09070	1.4
179.01813	1.5
179.03369	28.5
179.06833	9.3
179.08487	2.3
179.10707	8.2
179.14284	45.3
180.06538	2.8
180.08041	1.1
180.10219	1.9
180.14694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02378	0.6
53.03937	0.7
55.01857	1.3
55.05511	0.5
55.14036	0.4
56.05032	0.5
56.18172	0.4
56.96564	3.0
57.03425	0.8
65.03923	3.2
67.05486	1.4
68.05005	1.0
69.03432	0.5
69.04543	0.6
71.03910	0.4
71.45789	0.8
71.46131	0.5
73.57140	0.4
76.02217	1.9
79.05489	4.1
81.03389	1.1
81.04529	0.7
81.07053	1.7
83.06091	1.1
84.04475	0.7
88.67854	0.4
91.05470	47.5
92.05810	1.1
93.07012	0.6
94.04174	0.5
95.04952	2.9
95.06065	1.5
95.08579	1.3
97.96785	0.5
98.21323	0.5
98.97567	0.9
103.05456	0.5
105.03365	1.6
105.07026	2.9
106.06535	1.3
107.04946	2.0
107.08582	0.6
108.04440	1.3
108.05646	0.4
109.02871	1.0
109.06440	0.6
110.01249	0.5
110.07154	0.9
110.97518	0.4
116.98570	0.8
117.11043	0.7
119.04927	88.1
120.05216	2.5
121.95767	0.6
123.04400	3.3
123.05363	0.4
123.08064	1.0
133.02814	1.5
133.06425	2.3
133.10117	1.8
134.06020	2.2
134.07060	0.8
135.04370	0.8
136.05173	1.5
137.04941	0.7
137.05960	10.3
137.08191	2.5
146.03603	1.1
147.04390	100.0
148.04675	2.1
149.05936	0.5
151.03874	1.6
151.06369	0.6
151.07541	5.1
151.11182	0.7
152.08128	0.7
155.96376	0.8
155.99641	0.8
156.65828	0.4
161.02280	0.7
161.05962	2.5
161.08205	0.4
161.09531	0.7
162.09068	0.7
164.04706	3.6
174.00681	1.1
179.03403	6.3
179.07013	27.3
179.09309	1.2
179.10614	1.2
179.14168	0.8
179.44492	0.4
180.07504	0.5
180.10088	0.7
184.26315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.74562	0.2
51.99712	0.3
52.66618	0.2
60.68663	0.2
66.63258	0.3
70.93734	0.8
73.68038	0.3
78.24519	0.3
79.05487	0.3
90.04238	0.5
91.05457	0.8
92.05001	0.6
93.05760	0.4
105.07004	0.5
107.08561	0.5
115.05426	0.4
117.07027	1.2
118.03693	0.8
118.05677	0.5
118.06524	9.6
119.04975	0.4
119.07317	9.1
123.04382	0.3
123.06816	0.3
132.08081	0.8
134.09631	60.9
135.09917	1.4
146.03168	1.7
147.04395	0.4
150.06361	0.5
160.11201	1.1
162.09135	2.3
163.09885	1.0
178.12239	100.0
179.03329	0.7
179.12596	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03935	4.7
53.20092	0.9
55.01846	4.1
55.05496	10.5
57.03422	8.9
63.02365	2.1
63.84072	1.0
64.31834	0.9
65.03924	2.3
67.05492	14.8
69.03407	3.1
69.07059	10.0
71.63443	1.4
71.63838	1.1
78.04690	3.5
79.05027	1.5
79.05482	29.6
81.03394	3.2
81.07046	26.9
83.04974	5.1
83.08618	5.3
85.06509	2.3
88.02200	1.5
89.03904	56.4
89.86640	1.0
90.04229	1.5
91.05463	33.1
93.07027	38.7
95.04961	9.0
95.08012	1.2
95.08596	18.6
97.06500	3.5
97.10180	0.9
98.98455	24.6
101.78340	1.0
103.05470	4.5
105.03354	1.6
105.04523	1.8
105.07018	18.3
106.04178	4.4
107.04916	6.3
107.08579	33.9
109.06505	6.1
109.10142	6.1
111.08057	1.3
115.05430	3.4
116.06233	2.0
117.03362	86.7
117.06999	17.8
118.03664	3.0
118.07396	1.2
119.04914	1.8
119.08556	6.9
119.70939	0.9
121.02869	2.8
121.06488	9.5
121.10127	32.4
124.05224	1.7
129.06973	4.1
130.07765	5.5
131.04886	2.7
131.08551	42.2
133.06491	2.4
133.10100	11.7
134.03612	12.0
135.04419	10.8
135.08029	10.9
135.11659	10.7
136.12033	1.0
144.09322	3.1
145.02827	100.0
146.03166	5.0
147.04420	1.1
149.02347	6.8
149.05954	32.0
149.09575	7.8
149.13248	9.0
158.05994	2.9
159.04376	1.4
159.08066	5.5
159.11682	23.4
162.03104	4.5
162.06731	2.9
163.03891	4.1
169.49541	1.0
177.05438	40.6
177.06963	2.1
177.08989	9.2
177.12726	46.5
177.16324	15.3
178.08661	4.0
178.13144	2.2
186.05470	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	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	2.0
55.01845	0.8
55.05505	9.6
56.36934	0.7
57.07056	1.5
65.03932	1.2
67.05501	6.3
69.07059	32.4
69.07442	1.6
70.77841	0.9
70.78191	2.4
73.78492	0.7
78.04704	0.8
79.05478	15.8
81.03381	1.0
81.07049	12.7
83.08607	19.7
83.61052	0.7
84.94370	0.7
85.66896	0.6
89.03904	11.3
91.05462	13.0
93.07030	34.8
95.04960	3.8
95.08591	37.1
97.06507	0.7
97.10135	1.6
98.98457	10.8
103.05474	2.9
105.07024	12.8
106.04150	1.4
107.04945	1.8
107.08577	71.3
108.08906	1.6
109.06498	2.6
109.10136	12.7
116.99521	1.0
117.03359	19.0
117.06993	1.6
118.03703	1.3
119.08536	4.1
121.02896	1.2
121.06475	3.2
121.10124	100.0
122.10445	1.5
123.08057	1.6
129.06883	1.2
131.04918	1.8
131.08537	4.4
133.10098	2.3
134.03598	3.3
135.04446	4.1
135.07976	1.2
135.11671	19.2
140.17632	0.9
145.02821	23.9
146.03197	1.3
149.02328	4.4
149.05954	8.3
149.09612	1.1
149.13223	5.2
158.05972	0.9
159.08075	1.4
159.11661	3.8
162.03133	1.6
163.03879	1.4
167.03294	0.7
177.05432	14.0
177.06816	1.1
177.09097	3.0
177.12807	9.1
177.16364	69.0
178.08540	1.6
178.16739	1.5
186.05440	1.4
189.70766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02368	0.3
53.03931	0.6
56.00017	0.3
57.72186	0.3
62.11041	0.3
63.02371	1.3
70.37656	1.3
71.05000	0.3
77.45841	0.3
78.04701	3.2
78.77178	0.3
79.05468	0.4
85.34720	0.3
89.03902	48.7
90.04247	0.7
91.05464	3.7
93.07053	0.6
95.04941	1.0
98.98472	0.6
100.67532	0.4
103.05434	2.2
105.03363	0.6
106.04157	3.6
107.04980	0.4
117.03358	84.9
118.03694	2.0
119.04923	1.1
121.06487	1.1
124.05213	1.2
131.04907	1.0
134.03610	9.6
134.04582	0.6
135.04395	5.9
135.08035	0.3
145.02821	100.0
146.03157	3.0
147.04401	0.7
149.05956	27.5
150.06300	1.0
158.06041	0.6
162.03114	1.8
163.03873	1.4
177.05447	22.4
177.12747	0.4
178.05779	0.5
186.05467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01848	0.5
55.05511	0.6
55.30810	0.3
57.37115	0.3
63.02375	1.7
65.03935	0.4
67.05497	0.7
69.07056	2.4
78.04700	3.6
79.05476	1.5
81.07044	0.7
82.79930	0.4
83.08634	0.9
89.03905	48.0
90.04243	0.6
90.78990	0.5
91.05467	4.9
92.32542	0.4
93.07044	3.0
95.04966	1.3
95.08578	3.0
98.20692	0.8
98.98462	1.8
103.05461	2.2
105.03429	0.6
105.07013	0.9
106.04172	3.8
107.04939	0.6
107.08578	4.0
109.10138	1.1
117.03365	80.8
118.03665	2.3
119.04929	0.8
119.08629	0.6
121.06490	1.2
121.10126	6.6
124.05208	1.0
127.17825	0.4
131.04942	0.6
131.08536	0.5
133.10153	0.5
134.03615	9.7
135.04414	7.9
135.11684	1.4
137.09578	0.6
139.25766	0.4
145.02829	100.0
146.03172	3.5
149.05959	24.6
150.06268	0.9
158.06038	1.1
159.11732	0.7
162.03065	2.1
163.03920	2.9
170.56653	0.5
177.05449	26.1
177.09021	1.0
177.12758	1.8
177.16356	4.7
178.05826	0.9
186.05498	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03933	1.3
53.40901	0.5
55.05490	0.6
60.34618	0.5
61.91626	0.5
63.02373	1.1
66.54377	0.5
67.05518	0.5
69.07059	0.6
69.46465	4.2
78.04694	3.0
79.05487	1.6
81.07035	0.6
89.03903	55.6
90.04214	1.2
91.05476	2.9
91.92218	0.5
93.07031	2.0
95.04944	1.0
95.08598	1.1
98.98458	0.9
103.05446	2.1
105.03404	0.6
106.04166	6.1
107.08567	1.7
117.03362	88.9
118.03674	2.7
119.04899	0.8
119.10526	0.5
119.51481	0.6
121.06467	1.4
121.10135	2.4
124.05169	1.0
134.03613	11.8
135.04414	6.8
135.11659	0.5
145.02821	100.0
146.03172	3.1
149.00708	0.5
149.05957	29.4
158.05957	1.1
159.11655	0.6
162.03131	2.6
163.03835	2.6
177.05446	28.1
177.12633	0.5
177.16273	1.2
178.05861	1.0
186.05424	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41990	0.8
59.67565	0.9
63.82301	1.0
71.05169	2.4
78.10825	1.0
119.48624	0.9
132.02095	100.0
133.02469	3.2
148.23744	0.9
150.03172	1.5
152.23190	0.9
170.25557	1.0
176.01073	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	176.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	1.3
56.96555	8.2
57.93535	1.3
58.51298	0.6
59.06099	1.6
60.04493	0.7
69.07046	0.8
70.91872	1.6
71.95235	1.5
77.00885	1.2
81.03400	0.8
81.04510	0.8
84.73544	0.7
89.03881	1.7
91.05455	1.3
93.07053	0.8
95.05998	0.8
98.97544	29.5
98.98449	5.2
100.02438	2.3
101.00840	3.0
103.02380	1.1
103.05445	0.7
104.02504	1.5
105.02183	0.9
105.06959	1.2
113.00826	1.3
116.01932	11.8
116.97311	7.3
116.98601	43.3
117.03322	2.4
118.03492	9.0
119.01899	24.7
120.02007	6.2
120.03154	0.9
121.01637	7.3
122.03619	0.9
130.03473	1.0
130.06458	0.9
131.01878	11.6
131.99489	2.0
133.03442	1.4
134.02948	100.0
134.04710	3.5
134.99634	49.1
135.03229	5.0
136.02620	1.0
136.04512	4.1
137.02959	13.7
137.03941	1.7
138.03032	2.0
138.98927	0.9
139.02655	3.2
140.00148	1.9
142.03462	1.6
145.02840	2.9
146.03596	2.0
148.07544	1.1
148.96135	1.0
149.02945	3.8
149.05908	1.2
149.08318	0.9
152.02226	3.3
152.03969	23.0
152.05862	3.2
152.96841	2.8
153.00691	9.7
153.04004	1.2
154.03473	3.4
156.00279	0.9
156.83836	0.7
157.04555	4.9
158.01183	3.7
158.02953	5.3
160.04500	1.9
160.30946	0.7
161.04665	0.7
164.04724	0.8
170.03288	0.8
170.97914	0.8
171.01364	16.9
171.04973	3.1
171.06165	1.8
172.04535	1.6
175.98502	2.5
176.02243	2.5
176.04089	20.8
176.05844	6.7
176.07097	2.7
176.14063	0.8
177.00885	1.5
177.04184	2.2
177.05447	2.1
189.02423	8.2
189.06055	0.9
194.03206	1.4
194.05069	7.8
194.06758	1.6
199.05684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03934	0.9
55.05499	8.3
57.07065	0.8
64.60620	0.6
65.03937	1.8
67.05497	3.7
69.07058	23.7
69.83097	4.3
77.11304	0.7
79.05485	4.5
81.07044	7.7
83.08601	5.6
91.05469	17.5
93.07039	5.6
95.04955	0.9
95.08603	6.7
98.98445	6.7
103.05448	1.4
104.06258	0.9
105.07018	34.5
107.08582	7.1
115.05441	1.9
117.07011	4.0
119.04929	1.2
119.08567	98.4
120.08886	1.7
121.10113	3.6
128.06201	0.9
129.06985	2.2
131.08545	6.3
132.05658	0.9
133.10110	84.2
134.10414	1.0
142.07701	1.1
145.10118	8.5
146.10825	1.5
147.04359	1.2
147.11653	13.6
158.10847	0.9
159.11664	0.8
160.05173	1.4
160.12486	5.6
173.13235	3.1
175.07545	3.1
175.11227	2.4
175.14803	100.0
176.15146	4.0
188.21414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05500	9.5
57.07074	0.8
64.70920	0.7
65.03950	0.8
67.05489	2.5
69.07056	27.5
69.38583	7.2
72.01947	0.6
79.05482	3.3
81.07053	6.9
83.08607	4.6
83.15111	0.7
85.37938	0.7
91.05469	15.1
93.07043	4.7
95.08578	6.9
98.20713	1.0
98.98447	6.9
103.05430	1.2
104.06255	1.0
105.07014	29.9
106.07359	1.1
107.08566	5.7
115.05414	1.1
117.07020	4.6
119.04914	1.4
119.08559	99.4
120.08817	3.3
121.10127	2.8
123.34986	0.6
131.08525	5.6
133.10106	83.1
134.10451	2.5
135.11720	0.9
145.10091	8.2
146.10892	1.1
147.04453	1.1
147.08040	0.7
147.11664	13.9
157.10103	0.9
159.11760	0.9
160.05096	1.1
160.12433	4.3
173.13162	2.5
175.03870	0.7
175.07579	3.5
175.14793	100.0
176.15211	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03945	1.1
55.01846	1.0
55.05507	7.8
56.81157	0.9
57.03432	0.9
60.04499	2.6
61.04836	1.1
64.08884	0.8
65.63814	0.8
67.05508	4.0
67.14938	0.7
68.42633	1.1
69.03407	2.1
69.07058	18.6
70.64449	3.6
75.21741	0.8
79.05485	6.8
81.07043	17.4
83.08603	4.4
84.04485	1.5
85.02858	2.6
85.04836	1.7
91.04935	1.4
91.05468	21.3
93.07028	8.6
95.08587	13.2
97.02882	4.4
97.04803	1.6
98.03201	6.7
98.98451	47.1
101.37667	1.0
103.05432	1.6
105.07014	44.3
106.07312	1.3
107.08583	10.0
114.05416	1.3
115.05850	1.8
116.99496	1.0
117.06998	6.1
119.08562	99.1
120.08906	2.8
121.10094	2.7
127.03861	0.9
128.06201	1.8
129.06995	2.6
131.08559	7.2
133.10110	100.0
134.10370	2.1
135.11754	0.9
140.01012	1.1
145.10088	6.1
146.10825	2.4
147.04446	0.9
147.08017	1.3
147.11667	17.3
157.10092	2.8
159.11606	0.9
159.13550	1.0
160.08801	1.2
160.12418	4.2
173.13240	2.6
175.03889	1.5
175.07770	6.8
175.11195	6.5
175.14795	98.8
176.07037	3.4
176.15181	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	0.6
55.05502	5.3
57.03419	0.6
57.07075	0.6
60.04499	1.0
65.03940	0.6
67.05478	2.3
69.03432	0.9
69.06700	0.9
69.07059	13.7
70.03748	0.6
70.83463	1.3
78.41676	0.5
79.05492	2.6
81.07045	5.8
83.08605	1.8
84.04502	0.6
85.02901	1.5
85.04816	0.9
86.03242	0.4
91.05464	11.6
93.07038	3.2
95.04982	0.6
95.08584	3.5
97.02859	2.2
98.03209	2.8
98.98453	16.3
103.05466	0.8
104.06197	0.5
105.07016	26.1
106.07330	0.6
107.08571	5.0
115.05412	0.9
116.99470	0.4
117.07008	4.2
119.08562	66.8
120.08907	1.7
121.10131	1.9
123.18219	0.4
128.06137	0.5
129.06975	1.4
131.08539	5.0
132.09332	0.6
133.10112	67.7
134.10474	1.0
135.11632	0.9
140.01082	0.7
142.07722	1.8
144.09343	1.5
145.10104	13.2
145.11240	0.9
146.10774	0.9
147.08009	0.7
147.11665	25.7
148.11995	1.0
157.10118	1.5
159.11650	6.3
160.12444	9.3
161.13246	2.0
173.13217	1.9
175.03821	0.7
175.07854	3.0
175.11401	3.9
175.14798	100.0
176.07101	0.5
176.15158	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03930	1.0
55.01866	8.0
55.05501	5.8
57.03430	2.6
57.07072	0.7
59.04983	1.0
60.04514	1.1
65.03934	1.8
67.05491	12.3
69.03409	1.0
69.07060	15.5
71.04945	0.6
71.61778	1.3
79.05478	16.0
81.03418	1.0
81.07049	12.7
83.04964	3.4
83.08607	2.2
85.02892	0.8
90.97181	0.7
91.05463	100.0
92.05803	2.6
93.07021	9.6
95.04951	5.8
95.08593	5.9
97.02892	2.5
97.06518	2.8
98.03193	1.2
98.98450	20.9
103.05458	2.2
104.06224	0.8
105.03398	1.1
105.07013	57.0
106.07336	0.8
107.04933	5.0
107.08573	5.5
109.06504	1.7
113.23423	0.7
115.05379	5.3
116.06194	1.9
116.13984	0.6
117.06998	6.6
119.04926	2.5
119.08557	78.2
119.60765	0.6
120.08831	1.3
121.06481	2.0
121.10120	1.2
128.06216	2.9
129.06979	36.3
130.07353	0.7
131.08542	46.9
132.08894	1.0
133.06479	5.5
133.10104	59.3
134.10435	1.3
135.11665	0.8
141.07025	1.3
142.07750	11.1
145.06491	1.1
145.10075	6.3
146.10915	0.9
147.04398	1.1
147.08015	5.4
147.11656	19.6
155.20985	0.8
157.10103	36.3
158.10577	1.1
160.05206	1.9
160.08846	1.6
160.12419	1.9
173.13202	1.1
175.03815	1.6
175.07706	7.5
175.11153	88.7
175.14784	50.2
176.07004	1.3
176.11517	2.8
176.15111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	8.3
55.05505	8.1
57.03416	2.8
58.15440	0.9
60.04508	0.9
61.04832	0.9
65.03911	2.0
66.20824	0.8
66.69992	0.7
67.05495	13.3
69.03410	1.7
69.07061	16.8
69.89137	4.7
70.06573	0.9
73.55788	0.7
79.05486	15.2
81.07043	16.0
83.04965	3.6
83.08591	2.7
84.04475	0.9
85.02877	1.6
91.05469	100.0
92.05775	1.0
93.07034	12.2
95.04974	3.9
95.08596	5.5
97.02863	2.2
97.06506	3.1
98.03204	2.4
98.98454	36.8
103.05445	2.4
105.03380	1.4
105.07016	56.2
106.07361	1.3
107.04950	6.7
107.08566	5.4
109.06499	1.8
115.05408	7.9
116.06234	1.8
116.99477	1.1
117.07011	5.4
119.04926	3.1
119.08566	83.0
120.08886	2.2
121.06448	2.1
121.10136	1.6
128.06194	3.3
129.06985	37.1
130.07262	1.2
131.08554	47.7
133.06468	6.9
133.10112	64.0
134.10449	1.2
141.07030	0.9
142.07779	9.3
145.06410	1.1
145.10098	5.6
147.04369	2.1
147.08041	4.4
147.11673	19.3
157.10106	36.1
158.10457	1.0
160.05153	3.4
160.12428	2.7
173.13319	1.7
175.03844	2.5
175.07661	8.8
175.11166	86.0
175.14789	54.3
176.11528	3.6
176.15271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01871	1.3
55.05487	2.9
56.96560	5.9
57.03429	100.0
58.03745	1.8
59.04984	1.0
59.72114	0.8
60.04504	2.7
61.04850	1.1
65.03934	1.6
67.05484	3.6
69.03406	2.7
69.07052	6.1
69.50915	6.3
70.03744	1.0
70.06568	1.3
71.67620	0.9
79.05474	5.3
81.07045	6.2
83.04962	1.2
83.08618	0.9
84.04494	1.2
85.02879	2.8
85.04810	1.5
86.03174	0.8
87.04430	1.0
91.05467	21.0
93.07040	4.9
93.76865	0.7
95.04936	0.9
95.08603	4.3
97.02885	5.9
97.04827	1.0
98.03185	6.1
98.03700	0.7
98.98454	65.8
103.05402	1.0
105.03408	1.2
105.07016	20.7
105.96189	0.9
106.07343	0.9
107.04930	2.2
107.08561	3.6
111.04427	1.4
114.05501	1.2
115.03919	0.9
115.05931	1.5
116.99470	2.6
117.06995	5.9
119.04900	1.7
119.08566	73.9
120.08833	1.6
121.06464	1.2
121.10117	1.9
127.03847	1.6
128.06227	1.3
129.06990	5.6
131.08530	5.7
132.05717	1.2
133.06450	3.4
133.10117	26.0
139.03964	0.8
142.07816	4.9
145.06502	1.3
145.10109	2.6
146.07211	1.2
147.04375	1.8
147.08025	6.9
147.11655	9.3
157.10068	6.6
160.08783	1.6
160.12474	1.7
175.03903	2.0
175.07660	10.9
175.11159	44.9
175.14789	24.9
175.15990	0.6
176.07030	3.2
176.11523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
56.02243	0.4
56.05021	1.1
57.03419	1.8
57.07067	22.1
58.06593	4.7
58.11095	0.5
60.04232	0.7
60.04515	9.7
62.05762	0.9
62.06081	17.1
67.05499	1.3
67.52333	0.5
68.04990	1.0
69.03436	3.1
69.07059	5.5
69.28810	2.5
69.29231	3.6
71.08621	15.0
79.05478	1.9
81.07050	2.8
82.06551	0.5
83.08585	1.1
84.04491	7.3
85.02889	3.2
86.06046	0.7
91.05462	9.6
93.07008	1.1
95.08595	2.2
96.04464	3.6
97.02881	20.8
98.98454	8.5
102.05524	1.3
103.05506	0.6
105.07019	10.0
107.08550	1.7
111.04411	0.8
114.05515	8.4
115.03907	1.5
115.05422	1.6
117.06974	1.5
118.07319	0.6
119.04934	2.6
119.08563	25.5
121.10126	0.6
128.06224	0.8
128.07133	0.6
129.06984	1.6
130.15936	0.5
131.04832	0.6
131.08597	2.5
132.06514	0.9
132.08002	0.7
132.08881	1.9
133.10109	27.9
144.08900	0.9
145.10059	2.2
146.08099	0.5
146.10483	1.3
147.04410	2.2
147.08025	1.3
147.11652	4.4
150.96884	0.9
156.17453	14.8
159.11250	1.2
160.05200	2.6
160.12463	1.3
173.13260	0.7
174.06241	0.8
174.07611	14.3
174.09953	1.2
174.13776	3.7
174.18512	100.0
175.03864	1.6
175.07533	5.6
175.11162	2.3
175.14795	24.7
175.18904	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	174.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23552	0.4
54.03461	1.2
55.01868	1.4
55.05505	2.4
55.93516	0.7
56.05017	2.7
56.05835	1.1
56.94290	0.3
56.96554	10.1
57.03425	6.4
58.02949	0.6
58.06586	1.2
59.04989	4.6
59.06106	1.8
60.04513	21.7
60.05643	0.7
61.02913	1.1
65.03940	0.4
67.05486	1.0
68.05016	4.0
68.17148	0.3
69.03044	0.7
69.03413	9.0
69.04508	0.4
69.07054	2.6
70.02937	0.6
70.03772	0.4
70.06579	5.4
70.07389	0.4
70.56070	0.3
70.95851	3.8
71.01353	0.4
71.04987	1.1
71.06104	0.4
71.61430	0.6
72.04500	1.5
72.08145	1.5
72.91525	0.4
72.93772	5.8
73.02906	1.3
74.06055	1.4
74.97591	0.3
75.05608	0.9
81.03391	1.2
81.04528	0.7
81.07051	0.8
82.02930	0.9
82.06565	1.9
83.01326	0.4
83.04952	1.9
83.06080	0.9
83.08594	0.4
83.97594	0.7
84.04489	13.7
84.05310	1.1
84.08131	1.2
85.02895	8.6
85.04004	0.5
85.06523	0.5
86.06055	2.8
87.04449	1.6
87.05569	1.9
88.03987	0.7
88.96893	1.8
90.94799	3.1
91.03920	0.6
91.05461	2.4
93.07040	0.5
94.06541	0.4
95.04978	0.7
95.06087	0.4
96.04469	7.3
96.08109	0.8
97.02876	48.2
98.03177	0.5
98.06042	0.9
98.09673	100.0
98.97573	3.4
98.98447	16.6
99.04440	0.7
99.05564	1.1
99.09399	0.3
99.09984	2.0
100.03947	1.1
100.07600	1.0
101.02365	0.5
101.05987	2.6
101.07082	0.5
102.05525	4.4
102.06317	1.2
105.03365	0.5
105.07005	0.5
107.04927	0.6
108.95834	0.8
110.05995	0.8
111.04409	1.4
111.07999	0.6
111.09148	0.4
111.98455	3.5
112.04752	2.1
112.07594	0.9
113.05992	0.7
113.96365	0.9
113.98644	1.6
114.05507	23.4
115.03911	4.5
116.07075	0.8
116.98631	3.1
116.99429	0.7
118.06496	1.3
118.07272	0.5
118.08627	0.5
119.00667	0.3
119.01883	1.1
119.04926	0.5
119.08559	1.4
126.05470	0.7
126.06584	1.0
127.04975	0.4
128.03398	0.7
128.04929	0.5
128.07051	2.6
128.07933	0.5
128.10696	3.1
128.98604	0.4
129.05386	0.6
129.99467	2.0
130.05740	1.0
130.06555	0.8
130.08633	0.9
130.09718	0.4
131.00192	0.5
131.04869	0.4
131.97420	2.0
131.99660	4.6
132.04382	0.5
132.06531	1.4
132.08069	1.6
132.95801	7.8
133.01620	0.4
133.06242	0.4
133.10077	0.7
134.99646	2.0
138.05473	0.4
138.09175	0.4
141.00209	0.5
143.01863	0.4
145.01714	0.7
145.08759	0.4
146.05946	2.5
146.08073	1.1
146.99608	0.7
147.04364	1.6
147.07979	0.4
149.01140	0.6
149.96040	0.7
149.98442	1.7
150.00710	8.1
150.96863	21.3
151.97153	0.5
153.01016	0.5
155.97406	3.2
156.06421	1.0
156.07466	1.4
156.10184	4.8
158.99599	1.2
159.03224	0.5
159.10396	0.6
160.05243	0.8
161.02927	0.5
161.04832	0.5
162.05411	0.7
167.97116	0.8
168.01793	0.5
168.03639	0.4
168.97853	1.2
173.02356	0.3
173.98468	4.4
174.05405	1.3
174.07578	31.5
174.11232	61.5
174.12660	4.4
175.03883	0.8
175.07462	2.2
175.11615	2.3
175.14725	0.6
177.00670	2.1
177.04210	0.6
191.02060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.93874	0.7
55.01863	1.3
55.05499	1.9
56.05025	8.6
56.05833	1.3
56.96557	29.1
57.03429	6.6
58.99847	2.2
59.06107	2.5
60.04232	1.3
60.04514	17.9
61.02894	0.8
64.08007	0.9
67.05482	1.4
68.05006	2.4
69.03420	5.8
69.07075	0.9
69.71191	5.2
70.95846	5.5
72.04511	1.5
72.93768	6.2
72.96020	1.8
73.06546	2.2
74.97582	1.4
77.00903	2.4
81.03403	0.8
82.06577	0.9
82.99824	1.8
83.04971	1.0
83.06079	0.8
83.97615	3.2
84.04490	9.9
84.05279	1.4
85.01418	0.8
85.02903	5.5
86.06060	1.4
87.05585	2.7
88.96908	1.2
90.94801	3.0
91.05471	1.5
96.04481	6.2
97.02877	43.3
98.07197	0.7
98.20737	0.8
98.97562	2.8
98.98443	10.9
99.05580	1.4
100.02456	1.5
101.00848	10.2
101.98648	1.1
102.00968	1.0
102.05527	3.2
102.06325	1.6
103.02433	8.2
108.95795	1.0
111.98453	3.2
112.04774	1.7
113.98643	9.3
114.03999	2.3
114.05518	12.7
115.02410	1.8
115.03918	2.9
116.57082	0.9
116.98591	5.6
118.03478	4.6
118.06476	1.0
119.01902	81.2
119.08579	1.5
120.02021	10.7
120.03252	1.5
121.01588	4.2
121.03444	5.0
124.02501	1.4
126.06656	1.3
128.01933	2.4
128.07042	1.7
129.99493	1.6
130.05762	1.2
131.01891	1.1
131.97411	2.2
131.98668	1.0
131.99669	25.8
132.01405	3.6
132.05046	45.7
132.08092	1.3
132.95798	7.9
133.02319	1.7
133.03448	20.5
133.05122	2.0
134.02968	4.9
134.99635	4.4
135.03130	1.7
136.04544	3.5
137.02930	40.4
138.03064	5.5
139.02565	1.9
142.03571	4.0
145.03462	4.6
146.05962	1.1
146.08035	1.2
147.00223	0.9
147.03751	10.0
148.02785	1.7
150.00711	27.0
150.02454	25.7
150.06090	31.5
150.96866	22.8
151.02481	1.9
151.03494	1.2
151.04520	9.1
151.06114	1.3
153.00700	1.2
155.01239	1.4
155.04593	1.0
155.06645	1.8
155.97386	2.4
156.05023	7.2
156.07455	1.6
157.03447	1.6
157.04570	0.9
160.04514	1.3
161.02919	1.1
162.03104	1.8
163.04514	2.6
165.04839	5.4
168.01796	4.0
168.03497	7.6
169.03477	2.7
169.04694	1.8
173.02380	1.9
173.04053	1.2
173.07690	1.3
173.98460	4.9
174.02773	2.2
174.06099	100.0
174.07597	28.0
174.12766	3.2
175.04515	25.7
175.06158	4.6
175.07637	1.3
187.04465	1.4
192.03500	1.0
192.05403	1.5
192.07089	22.3
193.07503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01876	4.2
55.05507	7.2
56.05030	5.9
56.05841	1.0
56.31909	0.5
56.96560	86.9
57.03431	16.9
57.04551	2.2
57.07064	1.2
58.02965	0.8
58.06596	1.3
58.99854	1.4
59.04996	2.2
59.06114	1.1
60.04520	41.1
60.05641	5.8
60.95858	0.8
60.99614	0.6
61.02919	5.3
62.27929	0.6
65.03922	0.7
65.53348	0.6
67.05503	4.2
68.02616	0.6
68.05029	8.3
68.99788	0.9
69.03424	27.5
69.07056	1.7
70.06583	23.9
70.26090	1.4
70.26482	1.7
70.95866	3.9
70.98110	4.5
71.01341	3.0
71.04991	5.8
71.06113	3.3
71.95258	2.4
72.04504	2.3
72.08151	2.5
72.93784	5.4
72.96049	3.3
73.02914	6.7
73.06533	0.8
74.06071	13.5
74.97597	4.3
75.04472	1.2
77.00885	2.2
79.05491	1.9
81.03408	7.9
81.07050	4.2
82.06576	4.3
82.76451	0.6
83.00768	0.6
83.04981	4.0
83.06097	0.6
83.08617	1.1
83.52359	2.2
83.97621	6.2
84.01539	1.2
84.04494	24.8
84.05283	1.3
84.08138	6.3
84.96031	3.0
85.02896	23.5
85.06545	1.2
85.97737	0.6
86.03671	1.9
86.06059	8.7
87.04460	10.5
87.05577	1.2
88.02653	0.8
88.03964	0.9
88.07616	1.2
88.96904	1.1
88.99152	2.5
90.01568	0.9
90.94827	2.9
91.00519	0.7
91.02402	0.7
91.03939	1.0
91.05476	2.5
92.52837	1.0
93.07034	1.0
95.04970	2.1
96.01537	1.1
96.04485	10.2
96.08118	6.6
97.02884	100.0
97.06527	0.8
97.07626	0.8
97.96763	1.7
97.99181	0.8
98.01295	1.2
98.03186	2.3
98.06059	1.6
98.09685	5.3
98.97571	20.2
98.98446	9.0
99.04443	2.6
100.00076	0.8
100.02495	2.1
100.03926	0.8
100.05203	1.2
100.07614	8.0
101.00869	6.4
101.02496	1.0
101.06014	1.2
101.98650	1.4
101.99700	1.0
102.00935	0.9
102.02348	2.0
102.05544	7.2
103.02432	6.4
103.03148	0.9
104.07093	1.7
105.00328	1.6
105.02093	0.7
105.07037	0.7
106.00982	1.5
106.01817	0.7
107.00153	1.2
107.04945	3.6
108.02395	1.0
108.05245	1.0
109.02824	3.9
109.06541	0.8
110.01272	1.3
110.03091	1.1
110.06014	1.6
110.09666	15.3
110.97562	3.3
111.00233	3.4
111.02059	1.0
111.02908	1.1
111.04440	3.5
111.19736	0.6
111.53600	0.7
111.98462	2.8
112.04768	1.2
112.07582	3.4
112.08710	0.8
112.99081	1.0
113.00860	1.4
113.02409	0.6
113.98646	16.5
114.05521	32.9
114.09154	14.3
115.00647	0.6
115.02403	3.2
115.03902	9.1
115.05067	0.7
115.97826	1.7
116.07080	4.3
116.98614	18.5
117.01927	1.9
117.02847	1.1
117.03910	0.8
118.01103	3.0
118.03510	2.2
118.06567	0.7
119.01906	25.4
119.04923	1.1
119.53430	0.6
120.00795	0.6
120.01979	4.2
120.03313	0.8
121.01608	3.8
121.03527	2.9
121.06487	1.0
124.00970	0.6
124.01878	0.8
124.03691	1.2
124.07584	1.0
124.99071	1.3
125.02583	0.7
126.02499	0.9
126.05514	0.8
126.06598	1.1
126.54800	0.8
127.00667	0.8
127.01507	3.1
127.02385	1.2
127.03917	2.4
127.57207	2.4
128.01225	1.1
128.02271	2.1
128.07057	3.8
128.10710	7.6
128.98589	6.8
129.01958	0.8
129.03922	1.0
129.05539	0.9
129.10255	0.7
129.51790	0.8
129.99513	1.6
130.01743	1.9
130.08621	2.8
130.09740	2.0
131.00189	2.8
131.01900	6.7
131.99680	40.7
132.03413	1.0
132.05083	5.2
132.06563	3.2
132.95811	6.3
132.98048	1.0
132.99144	0.8
133.01559	2.5
133.03452	10.8
133.98824	0.9
134.99654	13.8
135.03091	1.3
136.02048	0.8
136.04550	0.9
137.02931	7.2
138.03123	1.8
138.05453	1.6
139.01523	1.0
139.02594	0.9
139.04022	1.3
140.00197	0.9
141.03990	0.7
142.01900	1.5
142.03473	1.7
142.96436	1.0
143.00180	5.0
143.01837	3.7
144.05182	0.9
145.01651	1.8
145.03413	5.5
146.03352	0.8
146.06001	1.6
146.08038	0.8
146.99643	7.8
147.01358	1.3
147.05040	0.8
148.02771	2.5
149.01186	2.6
149.02869	1.6
149.96074	1.0
150.00728	50.7
150.02582	2.1
150.06097	2.4
150.96881	15.4
150.99132	3.4
151.00180	1.2
151.02563	0.9
151.04506	3.9
153.00685	2.4
153.03960	0.8
153.05724	0.8
155.00116	1.1
155.01146	1.1
155.01918	0.6
155.97430	2.2
156.05130	1.0
156.06436	1.6
156.07466	1.7
156.10182	11.3
157.01651	1.3
157.03464	4.8
158.99590	2.1
159.03165	1.3
159.05084	3.2
159.06531	0.6
160.04532	1.8
160.06490	1.2
160.97528	1.2
161.01186	7.7
161.02953	5.4
161.04214	0.8
161.04753	0.8
161.06592	2.6
162.03114	1.9
162.06357	1.2
162.99066	1.5
163.02699	2.1
163.04462	1.9
165.00681	1.7
168.01715	4.4
169.00098	2.0
169.03458	1.8
170.99594	0.8
173.01109	1.0
173.02527	3.0
173.06551	1.2
173.98520	3.8
174.00703	1.7
174.06068	12.1
174.07558	63.0
174.11186	16.5
174.12485	7.7
174.14787	1.4
174.99164	7.9
175.00696	1.3
175.02821	1.3
175.04500	12.6
175.07175	1.8
175.08298	0.8
175.11861	3.4
176.07715	0.9
177.00674	3.9
177.04327	0.8
177.06013	1.6
179.02246	1.4
179.07573	1.4
185.02966	3.0
185.04376	0.7
185.06517	2.2
185.47321	0.6
187.04378	1.0
188.07672	1.1
189.00665	1.6
190.03821	0.7
190.98645	3.3
191.02043	1.0
191.03529	1.2
191.98990	1.0
192.01685	1.3
192.07097	2.8
192.98653	1.0
193.00223	14.0
193.01845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.02248	0.4
52.21571	0.4
52.26458	0.5
53.03928	1.2
55.05278	0.6
55.05503	7.4
57.03416	1.1
59.04969	1.4
60.04514	3.2
65.03922	0.6
67.05490	3.1
68.05023	0.6
69.03403	2.0
70.78268	0.4
71.62197	0.9
72.93768	0.5
76.02164	0.6
79.05465	1.9
81.07047	2.5
83.04974	7.8
84.04488	2.6
85.02886	1.2
87.04427	0.8
89.02336	0.8
89.03925	0.5
90.94783	0.5
91.04922	0.9
91.05463	11.6
93.07027	1.2
96.04463	2.2
97.02872	6.5
101.05999	4.7
102.05531	0.9
103.03255	0.5
103.05463	1.0
105.07011	10.6
111.04426	8.3
113.05968	1.2
114.05503	3.0
115.03943	0.7
115.05423	5.4
116.06234	2.5
117.07005	8.0
119.07746	0.9
119.08567	14.4
120.08807	0.5
127.05480	0.5
127.07499	1.3
128.06209	2.6
129.05499	3.1
129.06987	12.6
130.07780	4.2
131.08546	56.8
132.08881	1.9
133.10091	3.8
142.07748	1.2
143.08536	28.7
143.85779	0.5
144.09329	9.6
145.06447	4.5
145.10100	31.8
146.10443	1.1
155.05910	1.0
155.07033	5.7
155.08376	0.9
156.09286	1.9
157.10107	1.9
158.07228	2.2
158.10886	41.9
159.11230	1.7
171.11617	2.4
173.02263	1.0
173.05972	3.9
173.08127	8.3
173.09625	5.9
173.13232	100.0
174.07639	5.3
174.13676	4.3
174.18509	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03925	1.6
55.05241	0.9
55.05502	17.1
56.96542	0.7
57.03420	2.5
59.04990	2.7
60.04497	3.0
65.03926	1.4
67.05491	6.0
69.03410	2.1
69.07070	0.9
69.47870	6.2
69.48283	1.1
72.93758	2.4
75.02325	0.8
79.05477	7.6
81.07054	4.6
83.04510	1.1
83.04966	15.0
84.04459	1.7
85.02872	1.2
85.06516	1.2
86.09707	1.1
87.04433	1.0
89.02373	1.0
90.94807	1.6
91.05466	25.3
93.07021	2.6
95.04932	2.2
95.08596	1.0
95.34947	0.7
96.04470	1.7
97.02865	5.9
98.21425	1.1
99.04435	1.5
101.06009	10.4
103.05453	2.6
105.06335	1.3
105.07014	22.1
106.07344	0.7
107.08562	4.0
109.06493	0.7
111.04422	13.4
113.05975	1.9
114.05510	3.3
115.03949	0.8
115.05439	5.7
116.06223	6.0
117.07004	13.9
119.08564	20.1
127.07511	3.1
128.06204	5.2
128.07014	1.1
129.05493	6.4
129.06978	22.5
130.07784	6.9
131.08546	81.8
132.08905	2.2
133.10080	5.1
135.85834	0.7
142.07764	2.2
143.08539	43.7
144.09334	12.1
145.06468	3.9
145.10104	37.3
146.10445	1.0
149.96089	1.0
150.96866	1.3
155.05901	1.0
155.07024	9.5
155.08417	1.3
156.09297	1.5
157.10095	2.6
158.03755	0.7
158.07265	1.0
158.10884	39.7
159.11311	1.3
171.11676	2.5
173.05942	6.7
173.08104	14.3
173.09624	2.7
173.13232	100.0
174.07622	5.3
174.13632	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03935	0.9
53.51270	0.5
55.05503	8.6
57.03431	1.8
57.07061	1.3
59.04991	1.3
60.04517	5.2
66.49975	0.4
67.05491	3.5
68.05019	1.3
69.03409	1.8
69.07050	0.5
70.31983	2.3
70.69247	0.4
74.55838	0.5
79.05479	4.4
81.03383	0.6
81.07035	4.3
83.04962	7.6
83.45506	0.5
84.04497	3.1
85.02892	1.2
87.04457	0.5
91.05463	18.0
93.07038	2.3
94.28927	0.5
95.08571	0.8
96.04488	1.6
97.02879	9.2
101.05999	5.7
102.05509	1.1
103.03252	0.9
103.05416	0.8
104.66515	0.5
105.07010	15.4
107.08593	0.8
111.04425	7.3
113.05936	0.9
114.05496	3.8
115.03918	1.6
115.05437	2.8
116.06203	2.7
117.07005	12.8
119.08562	13.8
127.07533	1.2
128.06184	1.6
129.05495	3.3
129.06978	13.3
130.07794	4.5
131.08546	100.0
132.08836	2.4
133.10098	2.2
142.07748	1.2
143.08537	21.4
144.09331	10.5
145.06430	1.2
145.10101	38.1
146.10463	1.1
155.07028	6.6
155.08307	1.0
156.09305	1.3
157.10118	1.8
158.07274	1.8
158.10883	25.3
159.11282	0.7
171.11684	2.4
173.08292	6.6
173.09810	3.8
173.13235	93.5
174.07591	8.1
174.13702	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.06408	0.4
55.05502	5.1
57.03430	0.5
57.07063	1.8
57.47015	0.4
58.07405	0.6
59.04995	0.7
60.04515	1.8
67.05488	2.0
69.03393	0.6
69.07050	0.6
70.26767	0.8
70.27179	1.9
71.04993	0.5
72.93777	0.6
74.06059	0.8
79.05486	2.2
79.07056	0.4
81.07046	2.4
83.04969	5.5
84.04482	1.2
85.02917	0.5
85.11510	0.4
87.04443	0.5
87.83474	0.4
88.07597	2.1
89.07964	1.1
90.94798	1.0
91.05465	11.7
93.07032	0.9
96.04464	0.7
97.02882	3.6
101.06016	3.3
102.09164	0.8
102.21323	0.4
103.03281	1.0
103.05450	0.6
103.09515	0.9
105.07010	11.8
111.04427	5.6
113.05962	0.7
114.05517	1.7
115.05391	2.4
116.06241	2.7
117.07001	7.5
119.08563	14.2
127.07536	0.6
128.06168	2.2
129.05510	2.1
129.06973	11.4
129.87410	0.4
130.07774	3.4
131.08543	83.3
132.08871	2.1
133.10074	2.6
141.06995	0.5
142.07761	1.9
143.08534	28.2
144.09338	7.5
145.06549	0.5
145.10101	27.7
146.10463	0.9
149.47192	0.4
152.06516	0.6
155.07008	3.6
155.08395	0.9
156.09334	1.3
157.10104	1.6
158.07236	1.9
158.10884	39.2
159.11586	3.1
171.11691	2.7
173.05957	1.0
173.08145	4.8
173.09621	5.9
173.13231	100.0
173.17267	8.0
174.07561	2.7
174.13635	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	171.1014
Annotation	Boonein
Peak:m/z	Relative Intensity
52.05331	0.6
53.03952	0.7
53.25924	0.5
55.01628	0.5
55.01862	3.1
55.05507	4.9
57.03426	4.8
58.36250	0.6
59.04991	0.9
59.06116	0.6
60.04527	0.5
65.03931	5.8
67.05495	76.2
68.05833	1.3
69.03418	2.4
69.07056	2.6
70.06564	0.9
70.90302	1.4
70.90667	0.9
71.04973	1.7
72.04511	3.1
72.08140	1.3
73.02904	9.9
79.05483	46.6
80.05817	1.3
81.07046	45.2
82.07375	1.6
83.04963	10.8
83.08614	0.9
83.75696	0.5
85.65244	0.6
89.07133	1.9
91.05472	7.2
93.03403	4.9
93.07022	4.0
95.04926	0.6
95.08606	0.9
97.06525	1.4
97.10125	1.2
105.07021	4.9
107.04939	1.4
107.08579	100.0
108.08925	3.5
109.06514	2.7
109.10143	21.1
110.10438	0.6
111.04427	41.4
111.08074	1.8
111.09207	0.9
112.04819	1.2
115.05472	0.9
117.07000	2.4
119.06030	0.9
125.09615	13.3
126.05402	0.7
128.06166	1.1
130.08725	0.7
135.08038	11.2
139.03883	0.9
143.08546	1.4
153.09087	59.1
154.09448	2.5
156.09308	1.1
171.10155	31.8
171.11514	1.4
171.14912	1.3
172.10541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	16.0
56.05023	0.9
56.96552	0.6
57.03429	4.0
57.07066	1.3
59.04986	2.6
60.04520	17.4
67.05489	5.0
68.05016	2.4
69.03414	6.7
70.79530	0.6
71.58434	0.9
72.93768	1.0
76.02234	1.0
79.05486	2.5
81.03407	1.1
81.07043	3.9
82.06570	0.7
83.04969	15.8
84.04495	13.5
85.02900	4.3
86.06077	1.2
87.04461	1.1
89.02381	1.4
90.94822	0.7
91.05469	16.4
93.07027	2.7
95.04955	1.2
95.08586	1.4
96.04472	6.9
97.02879	35.4
98.98484	0.7
99.04415	0.9
100.04026	0.7
101.06007	11.3
102.05532	2.3
103.03259	1.9
103.05473	0.7
105.07012	14.4
107.08571	0.7
111.04431	15.8
113.06000	1.6
114.05511	15.9
114.77745	0.6
115.03880	3.6
115.05434	2.7
116.06240	3.1
117.07008	14.5
118.06564	0.9
119.08569	12.3
126.72904	0.6
127.07534	2.3
128.06212	1.9
129.05473	10.9
129.06967	11.1
130.07794	4.7
131.08548	96.4
132.06529	1.8
132.08907	2.0
133.10120	1.9
135.21938	0.6
142.07747	1.4
143.08546	19.1
144.09348	8.5
145.06429	2.5
145.10103	33.9
146.10431	0.9
149.93994	0.7
155.07016	12.3
155.08377	1.7
156.06456	1.0
156.09308	1.4
157.10091	1.6
158.07259	2.3
158.10893	22.5
159.11302	0.8
171.11636	2.4
173.04556	1.2
173.05859	1.2
173.08153	15.9
173.09636	5.5
173.13237	100.0
174.07597	27.7
174.13565	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	171.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01856	3.0
55.05501	6.5
56.05002	1.0
57.03434	3.4
58.06578	1.0
58.30091	0.6
61.76690	0.7
65.03935	5.1
67.05495	71.4
68.05832	1.9
68.08035	0.6
69.03416	2.6
69.07050	2.6
69.27962	1.0
69.28367	6.9
70.06569	1.9
70.98094	0.7
71.04971	1.4
72.04502	4.2
72.08157	1.4
73.02531	1.1
73.02908	11.9
77.04559	0.7
79.05482	43.1
80.05804	0.8
81.07047	45.0
83.04970	10.0
83.08613	1.4
85.08254	0.6
86.54358	0.6
87.04440	0.8
89.07129	3.4
91.05466	8.3
93.03381	3.4
93.07035	4.2
95.04958	1.3
95.08604	1.1
97.06489	1.5
97.10185	1.3
100.74396	0.7
105.07014	4.1
107.04969	1.6
107.08582	100.0
108.08924	2.8
109.06487	3.8
109.10139	21.2
110.10396	0.8
111.04427	35.3
111.08064	2.1
111.09193	1.2
115.05453	0.9
117.07010	3.0
125.09615	12.5
128.06215	1.6
133.00711	0.6
135.08031	10.4
139.00221	0.7
139.03923	0.8
141.06998	1.1
143.08574	1.4
146.65025	0.7
153.09088	49.6
154.09442	1.7
156.09280	1.7
159.46529	0.6
171.02937	1.2
171.10173	27.1
171.11626	2.5
171.14932	2.1
172.10474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.3
53.03920	0.6
54.03458	0.3
55.01864	3.6
55.05490	1.1
55.93511	0.3
56.05025	1.5
56.96556	39.0
57.03420	1.9
57.07060	0.5
57.81097	0.3
58.06569	0.6
58.96992	0.3
59.04986	0.5
59.06102	0.6
60.04509	0.8
60.95842	1.5
61.02919	1.0
65.03933	0.8
67.05484	0.9
68.05012	1.5
68.99774	3.9
69.03419	3.2
69.04528	0.5
69.07048	0.6
69.92535	0.9
70.02914	0.3
70.06582	3.1
70.18392	1.0
70.18806	0.6
70.94243	0.3
70.95863	0.3
70.98110	3.6
71.01334	0.6
71.04974	2.0
71.95253	1.0
71.97610	0.3
72.04510	1.5
72.08147	1.7
72.93770	0.6
73.02919	1.4
74.06065	0.5
74.97591	2.2
77.00881	0.4
78.52913	0.3
79.05476	3.1
80.04990	0.9
81.03400	3.1
81.04517	0.4
81.05786	0.7
81.07032	1.2
82.06565	2.0
82.94833	0.3
83.00792	0.3
83.01328	0.7
83.04958	0.8
83.06081	1.0
83.08593	0.4
83.18864	0.3
84.01550	0.6
84.04493	1.4
84.08120	1.4
84.94870	1.7
84.96020	1.4
85.02877	3.0
85.07641	0.6
85.08480	0.3
86.03668	0.5
86.06045	0.9
86.09673	0.5
87.04441	0.9
87.05582	0.4
88.07596	0.5
88.99144	2.3
89.00828	0.3
89.07130	0.7
91.02354	0.8
91.05465	0.8
92.04985	1.1
92.98624	0.7
93.05793	1.6
93.06995	0.4
94.06535	1.0
95.04950	1.3
95.06048	0.8
96.04469	0.8
96.08104	4.0
97.02879	2.2
97.06472	0.6
97.07653	0.9
97.99158	0.7
98.01289	0.4
98.06036	0.5
98.07175	0.4
98.96965	0.4
98.97562	3.6
99.04447	1.0
99.05538	0.8
99.09188	1.0
99.53443	0.6
100.00969	0.3
100.01855	0.4
100.02455	2.1
100.03951	0.7
100.05167	0.6
100.07593	0.7
100.99117	0.6
101.00858	0.7
101.02364	0.6
101.99726	0.3
102.97021	0.5
103.02385	2.1
104.01277	0.4
104.02059	0.4
104.52637	0.5
105.00357	0.4
105.07010	0.8
106.01019	1.5
106.06551	2.0
106.07173	0.4
107.00177	1.4
107.01810	0.4
107.04946	3.3
108.05283	0.5
108.08128	0.4
109.00483	0.5
109.02833	1.7
109.06489	0.6
109.07613	0.8
110.01243	0.4
110.03180	0.6
110.06021	3.8
110.07134	0.8
110.09673	0.5
110.97557	2.6
111.00178	0.7
111.00838	0.5
111.04409	1.3
111.05531	0.7
111.09190	1.1
112.04719	0.4
112.07590	1.6
112.51437	0.4
113.01778	0.6
113.02515	3.2
113.07143	0.4
113.52594	0.5
114.00622	0.3
114.05493	1.1
114.09159	0.4
115.00547	0.3
115.02305	0.7
115.05455	0.7
116.00184	0.9
116.98597	4.0
117.02029	0.6
118.01000	4.8
118.01797	0.5
118.03504	1.8
118.51307	0.7
119.00142	0.9
119.01882	3.7
119.04903	0.5
120.00732	1.1
120.01964	0.7
121.02795	3.3
121.06444	0.5
122.03055	9.0
122.06015	0.4
122.07056	0.4
122.51620	0.8
122.53260	0.9
123.04439	0.5
123.06747	0.4
124.02744	0.3
124.03889	0.4
124.04720	0.5
124.07567	10.0
124.11228	0.5
124.53342	0.6
124.89233	0.3
125.04592	0.5
125.06036	0.5
125.07056	0.9
125.10743	0.5
125.97462	0.7
126.01522	0.4
126.02545	0.4
126.05466	0.6
127.01509	15.5
127.03967	0.8
127.08643	0.5
127.51687	1.4
128.06209	0.4
128.07065	0.9
128.08157	0.6
128.93784	0.7
128.95042	0.5
128.98586	5.6
129.00311	0.6
129.01826	5.2
129.51772	0.9
129.54468	0.5
130.01845	0.3
130.52412	0.3
131.00166	0.6
131.01855	1.2
131.03539	0.9
132.01941	0.5
133.01514	2.3
133.03459	0.5
133.06450	0.8
133.53841	0.9
134.01251	1.0
134.05988	70.0
134.54056	0.3
134.99629	3.5
135.02048	0.5
135.03110	0.4
135.04346	0.3
135.06329	1.6
136.01939	2.4
136.02631	0.5
136.02908	0.7
136.06169	1.6
137.02928	1.2
137.05934	0.7
138.52245	2.2
139.00272	2.2
139.02483	0.5
139.03893	0.5
141.02701	0.9
141.05214	0.5
142.01955	0.5
142.03477	0.9
142.04944	0.9
142.05833	1.1
142.07405	0.5
142.08620	3.2
142.12268	1.0
142.96481	0.4
143.00237	0.7
143.03413	0.7
144.02533	1.1
144.98090	0.3
145.01627	0.5
145.03432	0.5
146.03737	0.3
146.53828	0.4
146.94908	0.5
146.96068	1.0
146.97299	0.9
146.99625	9.2
147.01370	3.0
147.02921	0.6
147.04970	1.4
147.96823	0.5
149.01169	0.9
150.05429	0.3
152.07039	100.0
153.00679	0.7
153.03040	0.5
153.05426	0.8
153.07405	3.0
153.10191	0.8
155.03380	0.8
156.01727	0.4
156.07994	0.5
157.00079	0.5
157.01291	5.1
161.01219	1.1
161.02916	0.3
161.05890	0.5
162.99110	0.4
163.02724	0.5
164.95941	1.1
164.98311	0.6
165.00681	2.9
165.02133	0.6
165.04294	0.4
165.06053	0.7
165.97887	0.7
166.00217	0.6
168.06532	0.4
169.01727	0.7
170.01239	1.1
170.02983	2.2
170.06793	0.5
170.08095	16.0
170.09543	4.3
170.11562	1.9
170.12907	1.0
171.02882	1.2
171.11302	0.6
176.07639	0.5
177.00772	0.7
177.04285	0.5
183.01770	0.6
187.02704	0.8
187.97629	0.4
188.02153	0.7
188.07648	0.6
189.00671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.00274	0.3
53.03920	0.6
54.03458	0.3
55.01864	3.6
55.05490	1.1
55.93511	0.3
56.05025	1.5
56.96556	39.0
57.03420	1.9
57.07060	0.5
57.81097	0.3
58.06569	0.6
58.96992	0.3
59.04986	0.5
59.06102	0.6
60.04509	0.8
60.95842	1.5
61.02919	1.0
65.03933	0.8
67.05484	0.9
68.05012	1.5
68.99774	3.9
69.03419	3.2
69.04528	0.5
69.07048	0.6
69.92535	0.9
70.02914	0.3
70.06582	3.1
70.18392	1.0
70.18806	0.6
70.94243	0.3
70.95863	0.3
70.98110	3.6
71.01334	0.6
71.04974	2.0
71.95253	1.0
71.97610	0.3
72.04510	1.5
72.08147	1.7
72.93770	0.6
73.02919	1.4
74.06065	0.5
74.97591	2.2
77.00881	0.4
78.52913	0.3
79.05476	3.1
80.04990	0.9
81.03400	3.1
81.04517	0.4
81.05786	0.7
81.07032	1.2
82.06565	2.0
82.94833	0.3
83.00792	0.3
83.01328	0.7
83.04958	0.8
83.06081	1.0
83.08593	0.4
83.18864	0.3
84.01550	0.6
84.04493	1.4
84.08120	1.4
84.94870	1.7
84.96020	1.4
85.02877	3.0
85.07641	0.6
85.08480	0.3
86.03668	0.5
86.06045	0.9
86.09673	0.5
87.04441	0.9
87.05582	0.4
88.07596	0.5
88.99144	2.3
89.00828	0.3
89.07130	0.7
91.02354	0.8
91.05465	0.8
92.04985	1.1
92.98624	0.7
93.05793	1.6
93.06995	0.4
94.06535	1.0
95.04950	1.3
95.06048	0.8
96.04469	0.8
96.08104	4.0
97.02879	2.2
97.06472	0.6
97.07653	0.9
97.99158	0.7
98.01289	0.4
98.06036	0.5
98.07175	0.4
98.96965	0.4
98.97562	3.6
99.04447	1.0
99.05538	0.8
99.09188	1.0
99.53443	0.6
100.00969	0.3
100.01855	0.4
100.02455	2.1
100.03951	0.7
100.05167	0.6
100.07593	0.7
100.99117	0.6
101.00858	0.7
101.02364	0.6
101.99726	0.3
102.97021	0.5
103.02385	2.1
104.01277	0.4
104.02059	0.4
104.52637	0.5
105.00357	0.4
105.07010	0.8
106.01019	1.5
106.06551	2.0
106.07173	0.4
107.00177	1.4
107.01810	0.4
107.04946	3.3
108.05283	0.5
108.08128	0.4
109.00483	0.5
109.02833	1.7
109.06489	0.6
109.07613	0.8
110.01243	0.4
110.03180	0.6
110.06021	3.8
110.07134	0.8
110.09673	0.5
110.97557	2.6
111.00178	0.7
111.00838	0.5
111.04409	1.3
111.05531	0.7
111.09190	1.1
112.04719	0.4
112.07590	1.6
112.51437	0.4
113.01778	0.6
113.02515	3.2
113.07143	0.4
113.52594	0.5
114.00622	0.3
114.05493	1.1
114.09159	0.4
115.00547	0.3
115.02305	0.7
115.05455	0.7
116.00184	0.9
116.98597	4.0
117.02029	0.6
118.01000	4.8
118.01797	0.5
118.03504	1.8
118.51307	0.7
119.00142	0.9
119.01882	3.7
119.04903	0.5
120.00732	1.1
120.01964	0.7
121.02795	3.3
121.06444	0.5
122.03055	9.0
122.06015	0.4
122.07056	0.4
122.51620	0.8
122.53260	0.9
123.04439	0.5
123.06747	0.4
124.02744	0.3
124.03889	0.4
124.04720	0.5
124.07567	10.0
124.11228	0.5
124.53342	0.6
124.89233	0.3
125.04592	0.5
125.06036	0.5
125.07056	0.9
125.10743	0.5
125.97462	0.7
126.01522	0.4
126.02545	0.4
126.05466	0.6
127.01509	15.5
127.03967	0.8
127.08643	0.5
127.51687	1.4
128.06209	0.4
128.07065	0.9
128.08157	0.6
128.93784	0.7
128.95042	0.5
128.98586	5.6
129.00311	0.6
129.01826	5.2
129.51772	0.9
129.54468	0.5
130.01845	0.3
130.52412	0.3
131.00166	0.6
131.01855	1.2
131.03539	0.9
132.01941	0.5
133.01514	2.3
133.03459	0.5
133.06450	0.8
133.53841	0.9
134.01251	1.0
134.05988	70.0
134.54056	0.3
134.99629	3.5
135.02048	0.5
135.03110	0.4
135.04346	0.3
135.06329	1.6
136.01939	2.4
136.02631	0.5
136.02908	0.7
136.06169	1.6
137.02928	1.2
137.05934	0.7
138.52245	2.2
139.00272	2.2
139.02483	0.5
139.03893	0.5
141.02701	0.9
141.05214	0.5
142.01955	0.5
142.03477	0.9
142.04944	0.9
142.05833	1.1
142.07405	0.5
142.08620	3.2
142.12268	1.0
142.96481	0.4
143.00237	0.7
143.03413	0.7
144.02533	1.1
144.98090	0.3
145.01627	0.5
145.03432	0.5
146.03737	0.3
146.53828	0.4
146.94908	0.5
146.96068	1.0
146.97299	0.9
146.99625	9.2
147.01370	3.0
147.02921	0.6
147.04970	1.4
147.96823	0.5
149.01169	0.9
150.05429	0.3
152.07039	100.0
153.00679	0.7
153.03040	0.5
153.05426	0.8
153.07405	3.0
153.10191	0.8
155.03380	0.8
156.01727	0.4
156.07994	0.5
157.00079	0.5
157.01291	5.1
161.01219	1.1
161.02916	0.3
161.05890	0.5
162.99110	0.4
163.02724	0.5
164.95941	1.1
164.98311	0.6
165.00681	2.9
165.02133	0.6
165.04294	0.4
165.06053	0.7
165.97887	0.7
166.00217	0.6
168.06532	0.4
169.01727	0.7
170.01239	1.1
170.02983	2.2
170.06793	0.5
170.08095	16.0
170.09543	4.3
170.11562	1.9
170.12907	1.0
171.02882	1.2
171.11302	0.6
176.07639	0.5
177.00772	0.7
177.04285	0.5
183.01770	0.6
187.02704	0.8
187.97629	0.4
188.02153	0.7
188.07648	0.6
189.00671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47955	1.2
53.03931	4.4
55.01867	14.4
56.94296	1.8
56.96556	34.9
57.03426	25.3
57.36632	1.3
58.99854	7.6
59.04982	1.6
59.99913	1.4
60.02130	2.6
61.02917	14.8
65.03909	1.4
66.19231	1.4
67.05169	1.5
67.05491	6.3
67.92497	24.9
68.98286	3.0
69.03419	55.8
69.03796	3.3
69.66387	7.3
70.98093	2.0
70.99845	4.3
71.01340	2.6
71.04974	4.9
73.02907	27.7
77.00883	8.0
80.05017	1.5
81.01907	3.6
81.03412	17.0
82.02681	3.4
82.06579	2.1
82.94828	43.9
82.99825	2.9
83.04993	1.8
84.01569	3.4
84.02441	2.2
84.96016	7.8
85.01402	3.0
85.02888	52.8
85.93526	5.4
86.03690	2.5
86.99311	3.2
87.01048	1.8
87.01898	2.7
87.04446	5.7
88.02670	5.4
88.52736	1.7
89.00871	3.3
90.02422	3.6
91.00502	4.2
91.02316	1.7
92.57512	1.4
93.01918	2.5
94.02663	10.1
94.06564	17.5
94.99815	1.6
95.01961	2.0
95.03471	4.5
95.04920	1.6
96.02440	2.4
97.01382	3.1
97.02874	100.0
97.96800	2.4
98.01283	2.5
98.03214	4.4
98.05991	2.2
98.97565	11.9
99.02950	1.9
99.04432	5.1
100.02581	9.2
100.95852	5.6
100.99124	2.0
101.00861	36.9
101.03442	6.0
102.00948	5.5
102.02409	10.3
102.52605	1.6
103.00600	5.9
103.02411	10.4
103.03169	5.9
103.03828	1.6
105.00340	4.8
105.02090	2.7
105.02898	2.4
106.02615	2.2
106.04024	3.1
106.06547	5.5
107.03442	4.1
108.02396	6.7
109.02961	10.8
109.53244	1.8
109.95898	2.9
110.97572	2.1
111.02117	3.3
111.02921	8.8
111.52994	3.2
112.01006	5.7
112.02833	1.7
112.99080	2.0
113.00856	14.7
114.00999	2.6
114.02441	3.9
115.02432	22.3
115.03157	3.9
115.03817	7.6
116.03963	1.7
116.98598	6.5
117.02116	5.2
117.02921	13.3
117.03680	1.9
117.53098	1.3
118.01095	2.3
118.02797	2.4
118.03530	6.8
119.01897	93.8
120.01968	13.4
120.03417	4.0
121.01608	25.5
121.03392	5.9
122.02029	5.5
122.06023	13.2
123.01430	1.9
123.02901	8.6
123.06665	2.4
123.52940	1.9
123.97441	22.0
124.02838	1.7
124.03731	3.2
124.04661	1.5
124.07565	1.8
126.02505	2.4
126.05479	3.6
126.53951	1.7
126.93762	18.2
126.97073	2.3
127.02386	8.5
127.03921	5.7
128.52548	1.6
128.53677	1.9
128.98599	3.3
129.02904	5.9
129.03955	5.4
130.02762	2.1
130.03694	4.7
131.00192	6.0
131.01881	77.9
132.01924	13.9
132.03447	3.7
133.01643	6.4
133.03445	32.8
133.05072	5.3
134.03529	4.0
134.99599	3.7
135.03137	7.9
137.02934	11.8
138.03363	4.4
138.05455	2.9
138.53645	2.6
139.02614	5.6
139.04213	2.1
140.07086	2.3
141.05443	1.6
142.03476	3.5
143.01874	46.8
144.01984	6.3
144.03235	4.2
144.94786	13.3
144.98097	10.5
144.99800	5.3
145.01633	6.6
145.03441	69.3
146.03609	8.1
146.99658	2.2
147.01399	2.3
147.03033	3.2
147.04063	2.4
147.05008	3.0
149.01189	8.6
149.02930	14.3
150.05484	91.1
150.07730	4.0
151.02635	2.2
151.04472	3.4
151.06090	9.5
152.07024	1.9
154.03477	9.8
154.04688	2.2
155.01869	13.1
156.02184	1.7
156.03407	4.4
156.04955	2.2
157.03467	18.6
157.58488	1.5
158.03593	3.5
158.99580	1.6
159.01361	5.9
159.05023	3.0
161.02942	66.0
162.03069	10.3
162.95853	25.8
162.97078	2.0
162.99120	8.6
163.00919	1.7
163.01364	1.9
163.02652	12.9
163.04527	17.3
164.04654	2.1
167.01976	5.8
167.96420	4.1
168.05025	6.5
168.06491	40.9
168.08830	4.6
168.10127	2.6
169.03484	5.7
169.04846	1.5
169.07013	1.4
173.02936	22.6
174.03030	2.2
174.04440	3.4
175.02962	2.1
175.04517	12.1
176.04684	3.1
177.00693	2.3
177.02374	1.4
179.04005	10.0
180.97066	1.7
181.03670	1.8
183.05077	2.1
184.04527	2.4
185.02931	16.7
185.97466	4.8
186.03134	5.1
186.06035	2.5
187.04462	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	169.1221
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03925	1.7
55.01867	6.3
55.05506	17.3
56.96548	0.6
57.03416	2.0
57.07044	1.8
59.04981	2.2
65.03936	3.1
67.05498	27.4
67.25004	0.5
68.05831	0.9
68.99776	0.6
69.03394	1.1
69.07059	4.4
70.64590	0.7
70.64941	1.8
71.01334	3.7
71.04987	7.6
75.56929	0.5
79.05036	0.8
79.05482	14.7
81.03410	4.0
81.07045	43.6
82.07368	1.4
83.04977	3.1
83.08605	9.8
85.02898	1.0
85.06533	2.6
88.41071	0.5
90.47715	0.5
91.04945	0.7
91.05473	13.2
92.05822	0.6
93.05758	0.8
93.07032	5.4
95.04965	2.9
95.08603	6.6
96.08104	1.1
97.02879	0.8
97.06486	1.4
97.10140	1.3
99.04435	2.1
99.08068	0.7
105.07010	9.5
107.08578	8.0
109.02853	4.9
109.06512	3.2
109.10131	5.3
110.06031	1.3
111.00797	4.8
111.04430	2.8
111.08056	1.5
113.00024	0.9
123.04423	2.3
123.08069	1.9
123.11701	6.4
124.07566	1.7
125.05955	1.3
126.03106	5.9
127.03876	1.1
128.06152	0.6
129.06969	0.8
133.10150	3.3
138.06718	3.4
139.03882	1.0
141.05440	16.8
141.06970	6.9
142.08626	0.8
151.03886	1.6
151.11150	1.3
151.42946	0.7
152.07072	1.1
153.07004	1.5
154.06470	1.0
154.07744	7.5
167.08569	0.7
169.04953	8.4
169.08568	2.0
169.10066	13.2
169.12218	100.0
170.08058	2.5
170.09610	2.1
170.12589	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	167.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95694	0.5
53.03946	4.1
55.01851	2.3
55.05507	41.6
56.05013	0.8
56.05824	0.9
57.03421	1.7
57.07062	2.1
59.04999	3.9
59.06110	0.9
65.03930	5.6
66.04713	1.5
67.05143	0.6
67.05499	10.7
68.05005	1.2
68.99788	0.8
69.03424	11.3
69.07061	6.8
70.06577	1.4
71.04980	2.8
71.65956	1.0
72.20956	0.5
78.04699	14.7
79.05486	14.2
80.04999	1.3
81.03403	1.4
81.04536	0.6
81.06606	0.8
81.07047	10.1
82.06557	1.3
83.04972	43.5
83.08611	16.6
84.05299	1.1
84.08107	0.6
85.06547	4.2
85.07635	0.6
91.05464	5.1
93.03398	4.2
93.07033	13.2
94.04178	0.9
94.06580	1.2
95.04954	6.0
95.08598	5.1
96.05717	1.4
97.02883	1.1
97.06516	5.2
97.07594	0.8
97.10164	4.9
99.04417	0.5
99.08080	0.9
103.05459	0.9
105.03352	1.5
105.04499	1.0
105.07011	4.2
106.04176	6.0
107.04971	5.0
107.08578	14.2
108.04501	0.8
109.02878	2.9
109.06524	3.0
109.07625	4.7
109.10152	9.9
110.08418	1.9
111.04443	2.4
111.08070	13.5
111.09205	2.1
112.08873	3.4
113.09621	1.6
121.01716	0.6
121.02857	2.8
121.06498	4.1
121.10132	12.2
122.03641	1.6
122.06035	0.8
122.07131	1.8
122.10386	0.7
123.04421	27.8
123.08045	2.5
123.11696	3.6
124.05217	9.7
124.08707	1.0
125.02345	0.9
125.05971	2.5
125.09628	7.0
126.05495	1.2
126.06514	0.5
126.10221	0.6
131.08524	1.4
134.03578	1.1
135.04393	1.3
137.02309	0.5
137.05969	1.4
139.03873	0.8
139.07518	1.9
139.11147	1.4
140.08139	0.8
149.02373	3.5
149.05966	1.9
149.08524	0.5
149.09564	3.5
149.13205	2.8
150.05473	1.4
150.10243	3.1
151.03905	6.0
152.04669	7.1
167.03357	3.0
167.07025	100.0
167.10558	4.4
167.14275	16.4
168.04262	0.8
168.07495	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.98808	0.2
51.02369	0.5
52.03158	0.3
53.03934	1.4
55.01854	1.0
55.05501	1.8
55.74076	0.2
56.05024	0.4
56.96551	0.9
57.03440	0.4
59.06108	0.5
63.66686	0.3
65.03923	1.6
66.04700	0.8
67.05187	0.2
67.05500	2.1
68.02656	0.2
68.05006	0.5
68.99782	0.3
69.03426	1.5
69.03722	0.2
69.07050	1.4
70.06573	1.1
70.71684	0.8
70.78532	0.2
71.04966	0.4
73.02901	2.7
75.42726	0.2
77.03901	0.5
78.04700	14.8
79.05032	0.5
79.05482	7.1
80.05003	0.5
81.03408	1.2
81.04535	0.3
81.07043	1.8
82.06561	0.8
83.04984	2.1
83.06085	0.5
84.08126	0.4
85.02878	0.4
85.06551	0.3
87.13116	0.2
91.05455	2.6
92.02619	0.4
93.03383	0.9
93.07030	4.1
93.71548	0.2
94.04149	0.8
94.06544	0.6
95.04955	4.3
95.06060	0.3
95.08594	0.9
96.05738	1.0
96.08121	0.3
97.02868	0.6
97.06495	0.9
97.07603	0.6
103.05458	0.6
105.03362	1.3
105.04472	0.4
105.06995	0.8
106.04159	6.3
107.04962	3.8
107.08582	3.6
108.04475	0.6
109.02882	2.1
109.06499	1.7
109.07615	2.1
109.10090	0.3
110.03589	0.4
110.07150	0.4
110.08391	1.0
111.04438	1.6
111.08059	1.0
111.09200	1.1
112.07534	0.2
116.98560	0.4
119.04909	0.4
120.02064	0.3
121.02853	22.3
121.06495	3.8
121.10130	2.1
122.03706	1.5
122.06015	0.4
122.07109	0.5
123.04414	26.8
123.08025	0.7
123.09134	0.6
124.05227	7.7
124.08657	0.5
125.05943	0.8
125.08229	0.3
125.09610	0.8
126.05525	0.7
131.08553	0.7
134.03644	1.2
135.04401	1.3
137.02351	0.8
137.05991	1.4
138.03098	0.5
139.03891	0.4
139.07526	0.8
139.09680	0.3
140.07027	0.3
149.02327	1.0
149.05972	5.3
149.09641	1.2
150.06482	0.4
150.10234	1.9
151.03877	5.6
152.04680	5.7
153.05051	0.3
161.04849	0.3
167.03398	1.7
167.07016	100.0
167.10539	1.7
167.12894	0.8
168.04129	0.6
168.07442	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03126	0.6
53.03943	4.3
55.01863	3.3
55.05504	53.7
56.05014	1.0
56.05833	0.9
56.07312	0.7
57.03416	2.4
57.07050	2.3
59.04987	5.9
59.06100	1.3
65.03926	8.8
66.04726	0.8
67.05149	0.9
67.05493	15.2
68.05009	1.3
68.99770	0.8
69.03055	0.9
69.03416	15.5
69.07059	9.8
69.52484	0.7
69.52922	0.7
70.06565	1.6
70.69350	0.6
71.04967	2.8
71.34320	1.3
72.08119	1.4
78.04698	15.3
79.05482	13.3
81.03407	2.3
81.04512	0.7
81.07042	12.0
82.06558	1.5
83.04967	66.0
83.08607	23.9
84.05291	1.1
84.08101	1.1
84.08942	1.1
85.06527	5.2
91.05479	5.9
93.03387	4.8
93.07031	15.0
94.04186	1.4
94.06544	1.2
95.04959	5.9
95.06056	0.8
95.08601	8.0
96.05715	1.2
97.02864	1.7
97.06520	5.9
97.10151	8.0
98.05978	0.9
99.08080	0.8
102.02345	0.6
105.03355	1.2
105.04475	0.7
105.07011	4.7
106.04164	5.6
107.04939	5.9
107.08575	19.9
108.04462	1.2
108.05684	0.8
108.08868	0.7
109.02838	2.7
109.06467	4.2
109.07629	3.6
109.10139	11.5
110.03671	0.7
110.06039	0.8
110.07148	1.1
110.08382	2.0
111.04417	3.3
111.07317	1.2
111.08061	17.9
111.09203	2.0
112.08865	5.2
113.09637	1.7
119.08557	0.8
121.02834	3.4
121.06493	5.3
121.08408	0.7
121.10123	18.1
122.03614	1.5
122.05988	1.1
122.07117	2.8
122.10496	0.7
123.04409	28.5
123.08050	2.2
123.11686	5.4
124.05231	7.0
124.08691	1.6
125.02327	1.9
125.05944	2.4
125.08224	1.3
125.09612	9.6
126.05495	1.7
126.06557	0.7
126.10351	0.8
127.07338	0.9
131.08534	1.7
134.03561	1.5
135.04402	0.8
137.05916	1.9
139.03865	1.5
139.07521	3.2
139.11176	1.4
140.06993	1.4
149.02303	5.1
149.05943	1.7
149.08521	0.6
149.09567	4.2
149.13234	3.9
150.05482	2.4
150.06638	1.0
150.10234	5.5
151.03874	5.7
151.09872	0.6
152.04651	6.4
153.05365	0.8
167.03380	5.1
167.07014	100.0
167.10532	5.5
167.12950	1.3
167.14276	23.7
168.07570	4.5
180.57162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02368	0.3
53.03944	2.3
54.48809	0.2
55.01863	2.1
55.05497	0.4
56.05019	0.3
56.96548	0.6
59.06104	0.3
64.81549	0.2
65.03919	0.8
65.10395	0.2
67.05501	1.0
67.98235	0.2
68.05019	0.5
68.99763	0.5
69.03419	1.1
69.07056	0.5
70.06573	0.7
70.84583	0.4
71.99417	0.2
72.08119	0.2
73.02898	0.6
76.83266	0.2
77.03934	0.7
78.04292	0.3
78.04700	4.2
79.05482	13.4
81.03394	1.0
81.04531	0.2
81.07043	3.5
82.06569	0.5
83.04964	0.8
83.06078	0.4
84.08124	0.3
85.02920	0.3
90.14463	0.2
91.05466	10.2
92.05784	0.3
93.03389	0.5
93.07030	15.9
94.00082	0.2
94.04172	0.2
94.07375	0.3
95.01320	0.2
95.04961	5.8
95.06037	0.3
95.08595	0.5
96.05744	0.3
97.02885	0.4
97.06516	1.4
98.99960	0.2
103.05443	1.5
105.03371	0.6
105.04507	1.0
105.07022	0.7
106.04151	1.8
107.01293	0.5
107.04935	2.8
107.06051	0.3
107.08578	1.6
108.04471	0.3
108.34262	0.2
109.02879	0.7
109.06483	0.6
109.07638	1.3
110.08421	0.6
111.04413	0.7
111.08052	0.4
111.09193	0.5
119.04908	0.4
121.01926	0.4
121.02854	7.0
121.06483	10.5
121.10130	2.1
122.06004	0.3
122.07004	0.3
123.04409	8.4
123.08041	1.3
123.09136	0.2
124.05195	2.4
124.08689	0.3
125.05959	0.4
131.08517	0.3
134.03638	0.5
135.04381	0.8
137.05919	0.5
139.03857	0.6
139.07507	0.9
149.02319	0.6
149.04895	0.5
149.05969	3.9
149.07080	0.5
149.09586	0.5
150.05409	0.3
150.10233	1.1
151.03853	1.2
152.04663	1.4
167.07013	100.0
168.04236	0.2
168.07431	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	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02360	0.6
51.38866	0.4
51.45286	0.3
53.00303	0.4
53.03942	3.4
55.01864	1.2
55.05505	2.9
57.03429	0.4
65.03932	23.5
66.04266	0.5
66.04325	0.5
66.04713	5.1
66.53791	0.3
67.05147	0.5
67.05496	5.4
68.05811	0.4
68.99781	0.8
69.03419	4.1
69.07058	1.2
70.06559	0.3
71.04963	0.7
71.58366	0.5
72.99207	0.3
77.03918	3.6
78.04700	6.3
79.05482	15.5
80.05788	0.5
81.03411	1.4
81.07044	5.4
82.04141	0.5
83.04971	6.4
83.08591	0.4
91.05477	5.0
93.03390	12.9
93.07026	4.8
94.04182	9.5
94.04710	0.3
95.04963	5.2
95.08588	0.6
96.05756	0.9
97.02875	1.5
97.06521	1.2
99.00867	0.4
105.03365	2.1
105.04490	1.1
105.07029	1.1
106.04156	2.4
107.04952	5.1
107.08573	3.5
108.05750	2.3
109.02838	1.7
109.06503	48.4
110.06811	0.8
111.04420	3.7
111.08058	1.4
111.09171	0.4
117.63758	0.4
121.01654	0.7
121.02860	7.4
121.06494	1.9
121.10133	2.4
122.03679	1.8
122.06013	0.5
123.04416	12.3
123.08035	0.9
124.05212	5.3
125.02344	4.0
125.06027	2.1
125.09616	0.7
134.03618	0.9
135.04393	1.9
137.02399	0.4
137.05960	23.5
138.03114	0.6
138.06316	0.7
139.03889	2.0
139.07536	4.1
143.48244	0.4
144.03250	0.6
149.02330	10.0
149.05954	1.5
149.09573	0.6
149.13193	0.5
150.05418	0.6
151.03915	2.2
152.04655	2.9
153.05420	0.8
155.07011	17.0
156.07307	0.5
167.03389	4.8
167.07021	100.0
167.10570	1.9
167.14282	1.1
168.07443	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Methyl 4-hydroxyphenylacetate
Peak:m/z	Relative Intensity
51.02378	1.6
53.03938	12.0
55.01851	2.2
55.05489	2.2
56.96532	0.8
64.49686	0.7
65.03922	3.1
66.04708	3.0
67.05499	3.8
69.03412	2.9
69.07053	3.4
71.04967	1.0
71.63389	0.8
71.63824	0.9
77.03912	1.4
78.04688	5.0
79.05479	95.8
80.05804	1.8
81.03400	3.9
81.07041	16.5
83.04951	2.3
83.08601	1.1
84.93021	0.8
84.93770	0.8
84.96001	1.9
91.05454	12.4
93.03403	1.0
93.07024	9.3
94.04169	9.5
95.04948	21.6
95.08566	1.4
95.95161	0.8
96.05724	3.2
97.02879	1.6
97.06501	2.1
103.05428	1.3
105.03365	2.3
105.04481	3.8
105.07006	1.3
106.04153	3.3
107.04936	100.0
107.08577	5.4
108.04538	1.2
108.05181	3.8
109.02868	2.2
109.06509	8.2
111.04418	2.3
111.08059	3.1
121.01667	5.2
121.02822	2.6
121.06472	6.8
121.07695	0.8
121.10099	5.6
122.03632	11.9
122.06812	0.9
123.04402	3.2
123.08032	0.8
124.05186	29.1
124.06080	1.8
125.05982	14.8
125.09647	0.9
126.05490	1.8
134.03619	2.1
137.05951	4.5
139.02701	2.1
139.03848	1.0
139.07529	2.8
143.96648	1.2
144.03209	4.3
145.00916	1.0
148.07487	1.8
149.02318	5.3
149.05975	3.9
149.09616	2.2
150.05479	1.2
151.03943	4.1
152.04659	14.9
162.04178	0.9
163.01952	1.4
165.06680	0.7
167.03394	5.5
167.04611	0.9
167.07013	25.5
167.08511	2.3
167.10649	4.6
167.14244	2.0
168.06430	1.2
172.83092	0.8
176.37527	0.8
180.81567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
53.03939	2.4
55.01866	3.3
55.05506	9.0
63.05415	0.7
65.03934	100.0
66.04273	1.6
67.05496	24.6
68.99782	1.8
69.03416	9.4
69.07050	2.3
70.87453	2.4
71.05019	0.8
74.99026	0.8
75.06725	0.7
75.34704	0.8
78.04700	7.3
79.05487	6.9
81.03407	2.4
81.07044	2.8
82.04223	0.9
83.04972	24.6
85.92852	0.7
90.59193	0.8
91.05476	2.7
93.03395	63.6
93.07046	5.8
95.01296	1.2
95.04978	4.0
95.08591	1.7
97.02885	6.6
97.06522	1.4
99.00787	1.8
105.07017	1.8
106.04159	2.5
107.01308	1.7
107.04967	3.5
107.08577	4.9
109.02863	1.6
109.06466	1.6
109.07610	1.4
111.00789	0.9
111.04445	12.8
111.08063	1.4
121.02859	36.1
121.06499	2.5
121.10123	5.8
122.03685	4.6
123.04416	13.8
123.08090	1.0
123.11797	0.8
124.05202	4.6
125.02333	19.3
125.05965	2.4
125.19964	0.7
137.05975	1.4
139.03879	8.0
139.05417	1.5
139.07494	1.4
149.02330	39.3
149.05992	1.3
149.09612	1.4
150.02647	1.3
150.10251	1.1
151.03889	4.0
152.04669	2.9
155.67532	0.7
167.03377	19.3
167.07027	45.9
167.10620	1.8
167.14268	1.4
173.61192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
51.38866	0.4
51.45286	0.3
53.00303	0.4
53.03942	3.4
55.01864	1.2
55.05505	2.9
57.03429	0.4
65.03932	23.5
66.04266	0.5
66.04325	0.5
66.04713	5.1
66.53791	0.3
67.05147	0.5
67.05496	5.4
68.05811	0.4
68.99781	0.8
69.03419	4.1
69.07058	1.2
70.06559	0.3
71.04963	0.7
71.58366	0.5
72.99207	0.3
77.03918	3.6
78.04700	6.3
79.05482	15.5
80.05788	0.5
81.03411	1.4
81.07044	5.4
82.04141	0.5
83.04971	6.4
83.08591	0.4
91.05477	5.0
93.03390	12.9
93.07026	4.8
94.04182	9.5
94.04710	0.3
95.04963	5.2
95.08588	0.6
96.05756	0.9
97.02875	1.5
97.06521	1.2
99.00867	0.4
105.03365	2.1
105.04490	1.1
105.07029	1.1
106.04156	2.4
107.04952	5.1
107.08573	3.5
108.05750	2.3
109.02838	1.7
109.06503	48.4
110.06811	0.8
111.04420	3.7
111.08058	1.4
111.09171	0.4
117.63758	0.4
121.01654	0.7
121.02860	7.4
121.06494	1.9
121.10133	2.4
122.03679	1.8
122.06013	0.5
123.04416	12.3
123.08035	0.9
124.05212	5.3
125.02344	4.0
125.06027	2.1
125.09616	0.7
134.03618	0.9
135.04393	1.9
137.02399	0.4
137.05960	23.5
138.03114	0.6
138.06316	0.7
139.03889	2.0
139.07536	4.1
143.48244	0.4
144.03250	0.6
149.02330	10.0
149.05954	1.5
149.09573	0.6
149.13193	0.5
150.05418	0.6
151.03915	2.2
152.04655	2.9
153.05420	0.8
155.07011	17.0
156.07307	0.5
167.03389	4.8
167.07021	100.0
167.10570	1.9
167.14282	1.1
168.07443	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02377	0.8
53.03939	3.9
55.01866	1.2
55.05502	5.1
57.03425	1.2
57.07063	0.5
62.84218	0.4
65.03934	9.5
66.04339	0.6
66.04714	6.3
67.01852	0.8
67.05492	6.2
68.99797	1.3
69.03424	4.5
69.07063	6.1
70.06579	0.5
71.04980	1.1
71.61752	0.4
71.62152	0.5
77.03918	4.4
78.04698	4.8
79.05482	20.6
81.03408	1.8
81.07050	10.4
83.01317	0.8
83.04967	3.7
83.08608	5.5
85.06525	0.8
91.05468	5.3
93.03392	4.5
93.07029	7.3
94.04177	11.0
95.04969	6.3
95.08593	2.3
96.05756	0.5
97.02899	0.7
97.06509	2.6
97.10149	0.5
105.03378	2.1
105.04488	1.2
105.07035	1.3
106.04150	1.5
107.01266	0.5
107.04943	4.5
107.08569	5.1
108.05756	2.2
109.02879	1.4
109.06501	64.4
109.10162	1.1
110.06850	1.4
111.04415	2.9
111.08072	3.8
121.01645	1.1
121.02866	4.6
121.06480	3.2
121.10126	4.4
122.03638	3.4
122.06042	0.7
122.09587	0.5
123.04414	7.6
123.08082	0.8
123.11657	0.8
124.05189	4.5
124.21861	0.4
125.02341	1.8
125.06001	2.1
125.09596	1.3
126.05499	0.8
135.04398	2.0
135.05469	0.4
137.05954	31.9
138.06337	0.5
139.02696	0.7
139.03883	1.3
139.07527	5.1
144.03221	0.6
149.02339	3.8
149.05994	1.8
149.09567	1.5
149.13239	3.8
150.02652	0.5
150.05415	0.7
151.03886	1.4
151.33466	0.4
152.04655	2.9
152.06090	0.6
153.05513	0.5
155.07008	20.5
156.07422	0.7
167.03391	4.6
167.07014	100.0
167.10593	2.6
167.14284	5.4
168.07474	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	167.0337
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
51.02345	0.6
53.03945	2.1
53.82927	0.5
55.01874	3.0
55.05507	6.4
56.05048	0.5
58.28835	0.5
65.03932	100.0
66.04262	1.3
66.04720	0.9
67.05494	22.0
68.99765	1.3
69.03427	8.2
69.07056	0.8
71.59329	0.9
78.04703	6.7
79.05486	5.0
81.03400	1.5
81.07043	2.3
82.04185	0.8
83.04970	21.0
91.05465	2.0
92.02634	0.6
93.03392	56.0
93.07041	2.5
94.03701	0.8
94.04216	1.1
94.61414	0.5
95.01318	1.1
95.04952	3.7
95.08605	1.4
97.02879	5.9
97.06525	1.1
99.00815	1.5
105.06996	1.1
106.04134	2.4
107.01314	1.6
107.04951	3.3
107.08572	2.7
109.02855	1.4
109.06484	1.1
109.07627	1.0
110.03664	1.2
111.04427	12.0
111.08086	1.1
121.02850	34.5
121.06487	2.4
121.10126	2.7
122.03664	4.8
122.07133	0.7
123.04414	12.8
123.08112	0.9
124.05196	4.7
125.02332	20.7
125.05994	0.8
125.72370	0.5
133.53284	0.5
137.05969	1.4
139.03867	7.0
139.05464	1.2
139.07545	1.5
149.02322	34.2
149.05965	1.2
149.09590	0.8
150.02759	1.1
151.03908	2.8
152.04662	2.5
165.07040	0.7
167.03380	16.1
167.07021	43.2
167.10686	1.5
167.14273	1.0
168.07454	0.8
185.16679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
52.46032	0.5
53.00303	0.8
53.03942	2.3
55.01870	3.4
55.05505	9.4
57.03422	0.9
58.29632	0.5
59.05000	0.9
65.03933	100.0
66.04261	2.6
66.04667	0.9
66.82439	0.5
67.05495	28.8
68.05824	0.6
68.99783	2.0
69.03421	9.9
69.07061	3.5
70.87090	1.1
70.87437	0.8
71.04984	1.6
78.04700	10.4
79.05478	7.0
81.03421	2.0
81.07059	4.1
82.06565	1.2
83.04969	26.5
83.08599	1.0
85.06506	1.1
91.05463	3.7
93.03392	67.9
93.07024	9.4
94.03693	1.3
94.04215	0.9
95.01293	1.0
95.04944	5.3
95.08599	5.8
97.02874	6.1
97.06521	1.7
97.07634	0.7
99.00819	1.3
103.05454	0.9
105.03391	0.7
105.07014	2.3
106.04142	4.4
107.01278	1.3
107.04959	2.9
107.08585	5.5
109.02851	1.7
109.06490	1.6
109.07629	2.0
109.10136	1.9
110.03605	0.7
110.08392	1.0
111.04427	15.2
111.08076	2.8
111.09190	0.9
121.02853	38.6
121.06499	1.7
121.08418	1.3
121.10125	9.2
122.03671	7.2
122.07124	1.1
123.04414	18.6
123.08044	1.2
123.11688	1.3
124.05203	6.2
125.02336	24.7
125.05991	1.2
125.08276	0.6
125.09593	1.1
131.08485	0.8
134.03625	1.1
135.04376	1.3
137.05959	0.9
137.09636	0.7
139.03896	8.7
139.04926	0.8
139.05399	0.7
139.07516	1.1
139.11174	1.7
149.02321	41.7
149.09593	2.3
149.13220	1.8
150.02640	1.4
150.05417	0.7
150.10229	1.5
151.03899	4.0
152.04691	4.6
167.03386	20.6
167.07018	65.7
167.10683	2.0
167.14299	1.1
168.03958	0.9
168.07359	1.6
179.99759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
53.03938	2.3
54.03432	0.8
55.01860	4.9
55.05280	1.0
55.05503	9.7
57.03411	1.1
59.06107	1.3
65.03931	100.0
66.04253	1.6
66.04707	1.7
67.05156	1.3
67.05495	24.8
68.05001	1.3
68.99773	1.8
69.03415	10.5
69.07056	4.8
70.06570	1.4
71.04987	1.7
71.12801	2.1
77.03903	1.0
78.04700	11.8
79.05482	12.6
81.03399	2.6
81.04514	1.8
81.07044	7.2
82.06537	1.8
83.04971	21.5
83.06065	1.6
83.08606	3.2
84.08166	1.5
85.06507	1.0
91.05453	5.5
93.03390	60.7
93.07027	14.3
94.03680	1.5
94.06557	1.1
95.04955	7.0
95.08591	3.8
96.05740	1.4
97.02896	5.6
97.06506	3.3
97.07677	0.8
99.00800	0.9
105.07008	2.9
106.04150	3.4
107.04935	6.8
107.08598	8.4
109.02846	1.8
109.06466	3.9
109.07614	5.5
109.10144	1.5
110.07151	1.6
110.08418	1.5
111.04420	14.5
111.08047	2.1
111.09165	2.2
112.17741	1.0
121.02845	37.5
121.05724	1.0
121.06476	5.0
121.10126	13.1
122.03627	5.4
122.07130	3.0
123.04416	22.4
123.08050	2.6
123.09016	1.0
123.11687	1.4
124.05216	7.9
124.08698	1.6
125.02331	22.3
125.05967	3.7
125.08235	1.3
125.09631	1.1
126.05544	1.3
131.08536	1.2
135.04376	1.6
137.05954	2.1
139.03902	8.7
139.07504	3.2
139.11110	1.3
149.02321	39.1
149.05966	2.8
149.09602	5.5
149.13248	1.4
150.05518	1.8
150.06606	1.0
150.10263	4.2
151.03867	4.1
152.04689	4.7
167.03389	18.3
167.07014	78.1
167.10640	5.5
167.12865	2.1
167.14241	1.9
168.03870	1.0
168.06343	1.2
168.07558	1.4
172.51053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0337
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
50.46041	0.5
51.02365	0.9
53.00301	2.4
53.03932	1.9
55.01858	3.9
55.05503	11.6
56.05032	0.7
56.96557	0.6
57.03426	1.2
59.04996	0.7
59.06108	1.3
65.03931	100.0
66.04259	2.4
66.04710	0.8
67.01855	0.5
67.05495	23.8
68.02624	1.0
68.05006	1.1
68.05803	0.6
68.99784	3.9
69.03419	12.5
69.07059	5.2
70.06590	1.7
70.87069	1.0
71.04970	1.2
72.08144	0.6
77.00360	0.6
77.03911	1.0
78.04701	8.3
79.01846	1.3
79.05480	10.4
80.05022	0.8
81.03410	2.1
81.04533	1.0
81.07040	4.3
82.06560	2.4
83.01320	1.5
83.04967	33.3
83.06057	1.4
83.08607	2.0
84.05305	0.6
84.08145	0.7
85.06528	1.4
85.07654	1.1
86.98375	0.5
87.04452	0.6
91.05452	5.2
91.05920	0.6
93.03391	62.5
93.07032	13.4
94.03680	1.0
94.04205	1.2
94.06588	0.7
95.01313	1.6
95.04956	5.4
95.06095	0.6
95.08588	2.4
96.02109	1.0
96.05704	0.9
97.02882	6.1
97.06520	1.5
97.07626	0.8
97.10171	0.8
99.00801	1.2
99.09167	0.7
103.05395	0.7
105.03371	1.0
105.07004	3.6
106.04150	2.9
107.01292	2.2
107.04975	3.4
107.06080	0.7
107.08577	8.8
108.04439	0.7
109.02865	3.6
109.03967	0.6
109.06495	2.7
109.07617	4.2
109.10126	1.5
110.06000	0.6
110.07143	1.1
110.08389	2.0
111.00742	0.8
111.03658	0.8
111.04425	12.7
111.08063	3.6
111.09196	1.8
112.08794	0.7
119.08611	0.7
119.24206	0.5
121.02850	32.5
121.06492	6.5
121.08395	0.7
121.10127	12.6
122.03683	5.0
122.07117	2.4
123.04415	15.1
123.08028	1.9
123.09174	0.8
123.11680	1.4
124.01540	0.8
124.05195	4.3
124.08672	1.2
125.02343	19.2
125.05964	2.3
125.08168	1.1
125.09599	2.0
126.05498	0.8
126.06501	0.5
127.07390	0.6
131.08569	0.9
134.03624	0.9
135.04407	1.3
137.02356	0.8
137.05940	1.3
139.02849	1.0
139.03874	8.7
139.07515	2.5
139.11179	1.3
140.06996	0.7
149.02316	37.7
149.05978	1.9
149.08435	0.8
149.09608	3.3
150.02638	1.0
150.05453	0.9
150.10196	4.7
151.03879	3.4
152.04666	5.1
152.34647	0.5
167.03375	23.7
167.07016	50.3
167.10583	4.4
167.12880	1.7
167.14278	2.4
168.03830	0.5
168.06390	1.1
170.02100	0.6
179.36453	0.5
185.04416	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	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03942	0.1
56.41590	0.1
56.96550	0.1
65.92615	0.2
70.82467	0.2
70.82819	0.1
77.03899	0.1
79.05476	1.4
80.94964	0.4
89.56200	0.1
91.05465	0.9
93.07028	2.2
95.04937	0.4
103.05453	9.6
104.05772	0.3
107.04945	2.6
118.06583	0.1
120.08086	100.0
121.06461	0.3
121.07770	0.1
121.08424	2.7
121.97551	0.3
124.93951	0.2
131.04910	2.5
149.05951	0.8
160.95973	0.2
166.08609	1.5
167.08850	0.1
175.43756	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.11598	0.4
55.05507	6.1
55.25754	0.4
56.05035	2.1
56.58713	0.4
56.96563	0.6
57.03437	0.6
65.03925	2.8
67.05491	4.1
68.05016	3.0
68.05844	0.5
69.03418	33.6
69.07048	2.6
69.38372	4.1
70.03751	0.9
70.06581	20.1
71.04966	0.7
71.58692	0.4
78.04711	1.4
78.98021	0.4
79.05482	14.8
80.05009	2.3
81.07045	47.2
82.06560	1.6
82.07373	1.5
83.04974	1.3
83.08614	1.3
83.09116	0.5
83.93047	0.8
84.04478	2.7
84.08131	2.6
86.06055	38.0
87.04500	0.5
87.06413	0.8
87.68456	0.4
91.05473	1.5
91.63292	0.4
92.05744	0.5
93.03410	1.4
93.07037	2.0
94.06560	1.7
95.04948	2.1
95.08611	1.2
96.04506	0.8
96.05256	0.7
96.08115	24.8
97.02911	0.8
97.06522	1.3
97.08457	0.5
98.06041	100.0
98.09679	1.9
99.06383	2.1
102.02287	0.6
105.07049	0.6
106.04175	1.2
107.04967	1.2
107.08564	1.3
108.08104	0.6
109.06510	1.2
109.10111	0.5
110.09696	1.1
110.10410	0.7
111.04388	0.6
112.07590	21.1
112.90481	0.5
120.02005	1.5
120.08102	3.3
120.08844	0.8
121.01665	0.6
121.02842	1.7
121.06459	1.9
121.10131	1.3
122.03606	0.8
123.04402	2.0
124.07574	71.4
125.05954	0.7
125.07906	2.0
134.03598	1.4
136.07536	2.8
137.05916	1.4
138.05478	1.2
138.09045	0.7
138.09943	1.2
139.07469	0.9
142.96738	2.3
148.04791	0.6
148.07520	1.3
148.11163	1.8
149.02327	2.1
149.05910	1.2
149.09560	0.6
152.04666	1.6
166.04929	3.1
166.08461	7.3
166.12222	17.8
166.13538	1.0
167.03339	1.9
167.05582	0.9
167.07016	12.0
167.08478	0.7
167.10593	1.5
167.12590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1636
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
52.05822	1.4
53.03938	2.0
54.03442	4.6
55.05496	10.5
56.05032	11.7
57.04538	1.6
57.07048	3.0
58.06577	4.4
59.06113	2.9
66.03428	1.3
66.52280	1.6
67.04215	1.5
67.05148	2.9
67.05495	55.0
68.05019	14.1
69.04527	4.3
69.05818	1.9
69.07066	9.4
70.06566	5.6
70.92652	4.3
71.06102	3.2
79.05475	4.8
80.04987	5.8
81.04527	12.2
81.07044	76.1
82.06555	6.0
83.06087	18.2
83.08612	7.1
84.06849	2.3
85.07648	7.2
91.05477	3.3
93.04482	2.1
93.07006	3.7
94.06532	2.1
95.04957	6.6
95.06071	6.3
95.08593	100.0
96.05556	2.6
96.08108	2.2
96.08930	3.7
97.07632	12.1
98.07154	8.4
100.27714	1.4
107.06052	12.2
108.05594	1.6
109.07622	4.3
109.10140	89.1
110.07172	8.6
110.10442	2.1
111.07923	8.5
111.09150	2.7
112.08715	2.4
119.04906	2.8
121.07603	4.5
122.07161	7.8
123.06626	3.4
123.07950	2.5
123.09165	6.5
123.11671	11.9
124.08697	21.7
125.05779	1.6
125.09489	10.7
136.07581	1.9
136.08672	1.9
137.09535	2.1
138.06567	2.8
138.10214	6.5
142.96684	2.1
147.04366	4.5
147.81029	1.5
148.08661	7.2
165.07643	4.4
165.08995	2.6
165.11354	25.5
165.12662	2.3
165.16357	9.8
166.04918	2.6
166.08554	3.6
166.09772	2.3
166.13286	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	165.1272
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03939	0.5
55.01867	0.5
55.05502	4.4
55.45423	0.2
57.07064	0.4
65.03932	1.0
67.01855	0.2
67.05140	0.4
67.05496	7.9
69.03431	0.9
69.07058	2.7
71.01414	0.7
71.04978	0.5
79.05482	4.0
80.05010	0.4
81.03401	1.6
81.07045	8.6
82.06564	0.3
82.07362	0.4
82.37047	0.2
83.04967	1.8
83.08614	3.0
85.06496	0.3
88.99273	0.2
91.05470	6.1
92.05829	0.3
93.07030	3.1
95.04954	100.0
95.08584	5.3
96.05281	2.8
97.06500	0.5
101.00842	0.3
103.05449	0.5
105.07011	5.2
107.04941	1.0
107.08580	9.2
108.08962	0.3
109.06501	19.0
109.10140	6.0
110.06830	0.7
117.07012	0.2
119.01928	3.0
119.04926	4.6
119.08562	7.0
120.08095	0.7
121.06509	0.4
121.10107	1.5
122.07263	3.3
123.04421	0.7
123.08080	1.6
123.11702	1.8
133.02850	0.7
133.06461	0.5
135.08095	0.3
136.07581	0.7
137.02951	1.0
137.06009	1.8
137.09595	10.7
137.13213	1.1
138.05486	0.3
138.09933	0.6
142.03479	1.5
142.96716	0.7
145.10080	0.3
147.04382	6.9
147.08078	0.4
147.11661	8.0
148.04750	0.4
148.07498	0.4
148.12000	0.5
156.04417	0.3
160.04578	0.5
165.01819	0.6
165.04254	0.6
165.05424	2.0
165.06905	0.5
165.07866	0.5
165.09091	21.0
165.12727	46.5
166.04929	0.7
166.08426	2.0
166.13060	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	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.05937	0.5
51.02381	0.5
52.49904	0.5
53.03934	2.2
55.01859	3.8
55.05501	8.6
56.96561	1.1
57.03426	6.6
57.07059	1.5
59.04972	0.5
65.03932	2.3
67.05492	43.3
68.05831	1.0
69.03429	5.5
69.07053	8.9
70.80818	1.2
70.81217	1.0
71.04985	2.2
77.03909	0.8
79.05479	38.0
81.03423	0.9
81.07042	78.9
82.07381	2.0
83.04968	9.2
83.08610	1.8
85.06534	5.5
86.50774	0.6
91.05463	43.9
92.05804	1.5
93.07027	38.2
94.04225	0.5
94.07379	0.7
95.04953	14.4
95.05521	1.0
95.08593	24.8
95.09204	1.2
96.08908	0.6
97.06515	10.3
99.08079	1.7
103.05452	1.4
105.03357	0.7
105.07012	74.4
106.07348	2.3
107.04974	0.7
107.08575	23.1
108.08896	1.1
109.06503	15.6
109.10132	11.3
117.06995	2.7
119.01909	2.1
119.04919	7.0
119.08560	59.5
120.08083	1.4
120.08907	3.2
121.10122	57.7
122.07251	3.0
122.10414	2.6
123.04404	1.5
123.08049	10.9
123.11679	10.1
127.07509	1.2
133.02859	1.7
134.04910	0.8
136.07567	1.1
137.02988	0.7
137.05948	3.3
137.09592	11.7
137.13200	2.5
138.05475	0.7
138.10001	0.7
142.03481	2.1
142.96664	1.1
143.05394	1.3
145.10126	1.6
147.03305	1.0
147.04387	11.1
147.11661	100.0
148.07501	0.5
148.12029	5.8
160.04588	0.7
165.01810	1.4
165.04263	1.2
165.04623	0.7
165.05634	3.2
165.07820	0.9
165.09090	18.1
165.12726	87.6
166.04955	1.1
166.08450	3.9
166.13089	4.2
177.26338	0.6
183.46236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02367	0.8
53.03937	2.4
55.01866	5.2
55.05501	10.9
57.03431	9.6
57.07064	1.6
65.03942	2.6
66.00282	0.5
67.01865	1.2
67.05498	51.6
68.05825	1.0
68.99755	1.1
69.03424	7.8
69.07058	11.7
71.01346	6.0
71.04980	4.0
71.60259	1.1
72.52470	0.6
77.03891	0.8
79.05483	40.0
80.04986	1.1
80.05812	1.3
81.03402	2.2
81.07047	100.0
82.07369	3.0
83.04968	11.5
83.08615	2.6
83.93042	0.9
85.02892	1.3
85.06535	6.4
91.05471	50.3
92.05805	1.3
93.07030	44.7
94.07372	1.2
95.04958	37.4
95.08592	30.7
96.04442	0.8
96.05298	1.3
97.02866	0.9
97.06509	11.8
99.08088	1.3
101.00871	1.1
103.05466	1.9
105.07017	68.1
106.07356	2.8
107.04958	2.1
107.08577	26.4
109.02871	0.9
109.06503	25.6
109.10139	15.1
111.08115	1.0
117.06988	1.5
119.01131	0.7
119.01921	9.6
119.03639	0.7
119.04937	10.7
119.08566	59.6
119.94328	0.5
120.08074	3.1
120.08921	2.7
121.02879	3.2
121.06435	1.3
121.10130	48.0
122.07273	7.0
122.10480	2.2
123.04411	2.8
123.08059	13.3
123.11698	9.4
124.03996	0.6
124.08432	0.7
129.07043	0.7
132.09332	0.7
133.02850	1.8
136.07564	1.7
137.03090	3.6
137.05971	5.9
137.09598	25.8
137.10664	1.3
137.13231	2.7
138.05434	0.8
138.09056	1.0
142.03500	6.6
142.96678	3.2
143.03613	0.7
143.88414	0.7
145.10095	1.8
147.04388	15.4
147.08014	2.1
147.11668	88.6
148.04788	0.9
148.11998	5.1
160.04585	2.4
165.01822	4.2
165.05531	7.7
165.07811	1.3
165.09094	44.4
165.12733	94.3
166.04974	2.1
166.08482	6.1
166.13109	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	165.0909
Annotation	Ethyl phenylacetate
Peak:m/z	Relative Intensity
50.01583	0.3
51.02376	0.5
52.00924	0.3
53.03931	1.4
55.01862	2.6
55.05496	1.3
56.05019	1.2
57.03429	0.4
58.06571	0.5
59.06110	0.4
65.03933	2.6
65.92610	0.4
67.05492	2.9
68.05012	2.0
69.03405	1.2
69.04525	0.5
69.07069	0.5
70.06567	0.8
71.41041	0.6
71.41385	0.4
77.03887	0.6
79.05479	10.7
80.05001	1.2
80.05772	0.4
80.61423	0.3
81.03417	1.9
81.04522	1.0
81.07040	3.9
82.06564	1.0
83.04948	0.5
83.06084	2.9
85.02882	0.4
85.07667	0.9
91.05464	32.4
92.05793	0.8
93.03391	0.5
93.07018	1.7
94.04161	1.2
95.01305	0.3
95.04955	5.9
95.06068	1.0
95.08596	2.5
96.04545	0.3
97.06486	0.5
97.07633	1.1
98.07153	0.7
100.31579	0.4
101.00868	0.8
103.04756	0.4
103.05445	7.0
103.06094	0.6
105.03367	0.8
105.07011	55.7
106.07340	1.3
107.04967	0.8
107.06055	1.8
107.08578	1.3
109.02863	1.0
109.06494	4.6
109.07626	1.4
109.10121	1.8
110.07153	0.8
111.04433	1.4
111.09189	0.6
115.05400	0.6
117.06985	0.7
119.01925	4.5
119.04923	53.2
119.08560	6.5
120.05230	1.7
120.08126	1.7
121.06507	0.5
121.07586	1.2
121.10126	1.2
122.03631	3.5
122.07146	2.1
123.04415	3.5
123.08050	3.4
123.11693	0.8
124.05193	2.0
124.08710	2.5
125.09461	1.2
133.02838	2.0
133.06467	36.7
134.06812	1.1
135.04330	0.5
136.07597	0.4
137.03079	1.5
137.05952	51.2
137.09523	2.3
138.06297	1.6
138.09134	0.6
138.10237	0.8
142.03473	3.1
142.96675	0.3
147.04384	100.0
147.08022	2.1
147.11678	0.8
148.04733	4.6
148.07571	0.5
148.08641	2.4
150.06726	0.5
160.04521	1.2
165.01802	0.7
165.04271	0.4
165.05484	4.4
165.07747	0.7
165.09088	15.0
165.11334	2.5
165.12753	2.1
166.04967	1.1
166.08522	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	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03948	1.3
54.59538	0.8
55.05502	3.8
55.53547	1.0
56.05010	2.5
59.06089	0.7
65.91735	0.9
67.05142	1.4
67.05495	22.1
68.05014	0.9
69.07057	1.3
70.06580	1.0
71.53323	1.7
79.05476	3.8
80.05011	1.2
81.03374	1.0
81.04530	2.3
81.07050	8.7
83.04971	3.3
83.06092	3.0
91.05016	1.1
91.05479	11.9
91.33260	0.9
93.07032	2.4
95.04951	12.5
95.06037	0.8
95.08592	2.7
97.07636	1.6
98.07181	0.9
103.05489	1.0
105.07006	2.4
107.04911	2.8
107.06062	1.9
107.08536	2.1
109.06503	3.0
109.10137	19.5
110.07108	1.5
110.46764	1.0
111.09179	1.1
117.06956	1.0
117.17808	0.8
119.01901	4.9
119.04929	7.0
119.08565	15.7
121.06498	0.9
122.07237	15.4
123.06690	2.1
123.08001	5.3
123.09147	1.3
124.08710	7.5
124.09518	1.2
125.09521	1.8
135.08032	1.0
137.02969	2.2
137.05917	2.8
137.09596	47.6
138.10023	1.4
142.03487	3.9
147.04396	11.5
147.11641	1.2
148.08678	3.1
148.70334	1.0
160.04521	2.0
164.19690	0.8
165.05345	3.2
165.09090	100.0
165.11127	6.3
165.12740	6.2
166.08447	1.7
166.09644	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03939	0.9
55.01862	0.8
55.05503	3.8
65.03922	1.2
67.05492	23.1
69.03418	1.1
69.07043	1.6
71.04961	0.3
71.63529	0.3
77.03927	0.3
79.05476	5.2
80.05001	0.9
81.03407	1.1
81.05738	0.3
81.07040	10.0
83.04967	4.6
83.93040	0.7
91.05466	12.2
91.36716	0.3
93.07033	3.3
94.07809	0.6
95.04957	8.2
95.08591	5.5
96.05279	0.3
97.02837	0.4
97.06490	0.7
100.02461	0.3
100.46591	0.3
101.00871	1.1
103.05434	1.0
104.06248	0.5
105.07002	4.1
107.04922	3.2
107.08565	2.9
108.04508	0.3
109.02838	0.4
109.06490	3.9
109.10136	21.0
110.10499	0.6
111.04398	0.4
117.07005	1.7
119.01089	0.6
119.01908	10.3
119.03632	0.4
119.04927	7.2
119.08555	19.3
120.01923	0.6
120.08100	0.7
120.08886	0.6
121.06517	1.9
121.10115	1.7
122.07264	14.4
123.04369	1.7
123.08102	2.1
123.11677	0.7
129.06960	0.3
133.02808	1.0
135.07988	0.7
136.07561	1.0
137.02988	4.4
137.05972	3.7
137.09589	50.6
138.05473	0.7
138.09966	1.6
142.03465	6.6
142.96664	2.8
147.04381	12.1
147.08008	1.6
147.11652	2.6
148.04781	0.5
160.04536	2.5
165.01888	1.4
165.05519	4.9
165.09084	100.0
165.12730	7.2
166.04967	1.0
166.08539	2.9
166.09520	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	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03934	1.0
55.01864	0.8
55.05506	3.8
57.03419	0.4
65.03925	1.4
65.64212	0.3
67.05499	22.8
68.05824	0.5
69.03410	1.5
69.07053	1.5
69.32383	2.8
77.03928	0.3
79.05481	3.3
81.03397	1.1
81.07045	9.2
82.06583	0.4
83.04971	4.0
83.93005	0.5
91.04939	0.7
91.05470	9.5
93.07035	2.1
94.07833	0.6
95.04960	6.5
95.08596	4.4
101.00852	1.5
103.05446	0.8
104.06226	0.6
105.07031	2.8
107.04937	3.2
107.08587	2.4
109.06546	2.7
109.10143	21.1
110.10485	0.5
117.07001	1.5
119.01099	0.7
119.01910	9.3
119.04919	4.9
119.08571	18.3
120.01968	0.4
120.08088	0.5
120.08896	0.6
121.06501	1.5
121.10150	1.4
122.07279	14.9
123.04394	1.4
123.08119	2.4
123.11698	0.5
133.02838	0.8
135.08028	0.9
136.07600	0.8
136.08711	0.3
137.02974	4.5
137.06018	2.3
137.09599	45.8
138.09950	1.4
142.03471	5.3
142.82431	0.4
142.96693	1.8
147.04393	7.7
147.08000	1.0
147.11676	1.8
148.04814	0.5
148.07605	0.4
157.46434	0.4
160.04526	2.2
165.01860	1.3
165.05545	3.5
165.09097	100.0
165.12762	4.2
166.04900	1.8
166.09680	2.8
183.56519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03939	0.9
54.15479	0.4
55.01868	0.8
55.05503	3.2
57.03406	0.9
65.03920	1.9
67.05497	22.1
68.05787	0.5
69.03412	1.7
69.07044	2.0
70.57228	0.5
71.59252	0.9
72.05084	0.5
77.27632	0.5
79.05478	5.4
80.04989	1.1
81.03394	1.7
81.07047	11.6
83.04967	5.0
83.93020	1.9
87.51862	0.5
91.04937	0.9
91.05469	14.7
92.05803	0.7
93.07018	3.3
95.04955	9.8
95.08598	5.4
97.06529	0.8
100.02503	0.5
101.00865	2.4
101.02501	0.5
103.05445	1.3
104.06240	0.8
105.07020	2.8
107.04951	2.9
107.08573	3.4
109.06510	5.3
109.10144	22.8
117.06977	1.3
118.03583	0.5
119.01907	25.0
119.04920	11.4
119.08560	19.4
120.01991	1.2
120.05183	0.5
120.08073	1.8
121.06480	2.0
121.10149	2.3
122.07278	13.5
122.95084	0.5
123.04392	1.7
123.08152	2.6
123.11662	1.2
124.02436	0.9
133.02826	1.0
135.08064	0.7
136.07556	1.7
137.02960	13.0
137.05029	0.8
137.05971	4.4
137.09596	46.2
138.03032	0.7
138.05470	1.1
138.09914	1.7
142.03482	17.0
142.96667	5.2
143.03633	1.2
147.04387	20.1
147.08034	1.4
147.11655	1.5
160.04538	7.9
161.04720	0.9
165.01852	1.2
165.05484	6.1
165.09094	100.0
165.12703	6.7
165.98273	0.6
166.04980	1.8
166.08601	3.7
166.09605	1.6
171.64574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.36444	0.3
53.03927	0.8
55.01845	0.7
55.05506	3.7
56.40753	0.3
57.03425	0.4
57.07088	0.3
59.35214	0.3
60.60201	0.3
65.03933	0.9
67.05495	23.4
68.05822	0.5
69.03421	0.7
69.07063	0.9
69.62531	2.4
79.05474	3.4
81.03413	0.9
81.07043	8.9
83.04967	4.3
83.93015	0.4
91.05464	10.1
91.06036	0.5
92.05788	0.4
93.07034	2.6
94.07792	0.5
95.04958	6.2
95.08588	3.9
101.00866	0.7
103.05431	0.9
104.06184	0.6
105.04495	0.4
105.07014	2.0
107.04942	3.4
107.08574	2.0
109.06499	3.0
109.10140	21.5
110.10505	0.5
115.05461	0.4
117.06992	1.5
119.01098	0.4
119.01901	5.4
119.04942	4.2
119.08564	17.2
120.05305	0.4
120.08086	0.5
120.08904	0.4
121.06502	1.9
121.10107	0.4
122.07269	14.5
123.04405	0.7
123.08127	1.8
132.05684	0.3
133.02808	0.4
135.07990	0.4
136.07562	0.6
136.32504	0.3
137.03038	1.7
137.06003	2.0
137.09593	49.7
138.05530	0.5
138.09879	1.5
142.03497	3.3
142.96672	1.5
145.06381	0.4
147.04390	7.7
147.08044	1.1
147.11641	1.4
160.04550	1.6
160.05701	0.3
165.01831	0.9
165.05545	2.6
165.09090	100.0
165.12711	3.3
166.04922	0.6
166.09637	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
51.02367	0.2
53.03934	0.7
55.01875	0.2
55.05503	3.4
65.03932	0.8
67.05495	21.3
68.05815	0.3
69.03425	1.0
69.07060	1.0
71.50826	0.3
71.51156	0.3
77.03915	0.4
79.05484	2.6
80.05022	0.3
81.03445	0.5
81.07049	8.9
82.07358	0.3
83.04972	4.4
83.05440	0.5
91.05470	7.4
93.07035	2.1
94.04159	0.4
94.07806	0.4
95.04960	3.9
95.08592	4.8
98.06020	0.4
101.00872	0.4
103.05472	0.8
104.06230	0.6
105.07030	2.2
107.04938	2.8
107.08572	1.6
108.05698	0.2
109.06490	2.3
109.10143	20.8
110.10480	0.6
117.06995	1.6
119.01907	3.5
119.04922	3.0
119.08566	17.2
120.01965	0.3
120.08128	0.5
120.08926	0.4
121.06481	1.5
121.10134	0.7
122.07272	14.4
123.04446	0.4
123.06733	0.2
123.08099	1.4
123.11684	0.5
124.07592	0.4
132.05638	0.4
133.02853	0.7
135.08034	0.5
136.07539	0.5
137.03003	1.4
137.06024	1.4
137.09596	50.2
138.05542	0.4
138.09956	1.9
142.03474	2.4
142.96689	0.7
147.04405	4.6
147.08028	1.1
147.11705	0.8
160.04561	1.0
165.01883	0.6
165.05611	1.7
165.09093	100.0
165.12711	2.6
166.04938	0.5
166.09576	3.5
175.27737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02390	0.3
53.03934	0.6
55.05513	0.4
56.05026	0.5
56.96580	0.2
58.06557	0.2
65.02583	0.2
65.03921	1.9
65.23051	0.2
67.05503	1.3
68.05018	1.2
69.03417	0.3
70.02500	0.9
70.02920	0.4
70.06586	0.7
71.06089	0.2
79.05486	1.0
80.05001	0.7
81.03418	0.4
81.04517	0.9
81.07063	1.1
82.06570	0.7
83.04976	0.4
83.06104	1.4
84.06834	0.2
85.07655	0.6
91.05467	28.6
92.05807	0.6
93.07039	0.8
94.06521	0.2
95.04954	3.7
95.06068	0.7
95.08596	0.9
97.07632	0.7
98.07152	0.5
101.00866	0.6
103.05461	0.6
105.04507	0.2
105.06991	1.1
107.04926	0.6
107.06046	1.0
107.08623	0.3
109.02855	0.4
109.06501	1.1
109.07642	1.1
109.08309	0.2
109.10117	0.8
110.07150	0.5
111.04379	0.2
111.09187	0.5
112.04916	0.2
117.07040	0.3
119.01936	3.9
119.04925	55.2
119.08559	1.8
120.05204	1.3
120.08095	0.7
121.07593	0.8
121.13148	0.2
122.07143	0.9
123.04420	3.4
123.08028	1.5
123.11771	0.2
124.07722	0.3
124.08687	1.3
125.09498	1.1
133.02824	0.9
133.06447	0.2
136.08629	0.3
137.03023	1.3
137.05952	2.0
137.09595	1.4
138.09132	0.2
138.10231	0.5
142.03490	2.0
142.96645	0.2
147.04387	100.0
148.03755	0.3
148.04745	2.8
148.08626	1.3
160.04533	0.9
164.11540	0.2
165.01807	0.8
165.05469	3.5
165.07727	0.4
165.09122	1.2
165.11333	2.5
165.12744	0.7
166.04985	0.8
166.08591	0.8
166.09785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
52.30529	0.2
53.03937	0.8
53.50351	0.2
55.01857	0.8
55.05494	0.8
56.05021	0.7
57.03418	0.3
57.07067	0.2
58.06570	0.3
59.06113	0.3
65.03922	2.1
66.04749	0.2
66.88040	0.2
67.05498	2.0
68.05021	1.0
68.42905	0.2
68.92809	0.2
69.03421	0.6
69.07050	0.2
70.06573	0.7
70.92511	0.6
77.03896	0.4
79.05477	5.0
80.05000	0.6
80.05831	0.2
81.03395	0.7
81.04523	0.6
81.07040	2.2
82.06567	0.8
83.04957	0.4
83.06091	1.1
85.07643	0.5
91.05465	28.3
92.05794	0.8
93.03393	0.2
93.07047	1.6
94.04156	0.6
95.04955	3.7
95.06059	0.5
95.08595	1.8
96.08120	0.2
97.02880	0.3
97.06506	0.2
97.07634	0.6
101.00871	0.5
103.05450	3.2
105.03379	0.3
105.04517	0.4
105.07011	20.3
106.07367	0.4
107.04919	0.6
107.06049	0.9
107.08564	0.7
109.02837	0.5
109.06503	2.2
109.07620	0.8
109.10120	1.4
110.07111	0.3
111.04404	0.5
111.09180	0.3
115.05470	0.3
117.07005	0.4
119.01924	3.8
119.04922	53.3
119.08559	3.6
120.05219	1.5
120.08073	1.1
120.08885	0.4
121.06445	0.4
121.07593	0.6
121.10129	0.6
122.03624	1.4
122.07146	1.1
123.04416	3.0
123.08046	3.7
123.11691	0.3
124.05200	0.9
124.08703	1.4
125.05910	0.2
125.09474	0.8
132.05600	0.2
133.02858	1.2
133.06470	15.5
134.06825	0.4
135.08035	0.3
136.07561	0.3
136.08676	0.3
137.03027	1.4
137.05951	19.6
137.09564	1.6
138.06377	0.4
138.09059	0.3
138.10150	0.4
142.03462	2.0
142.96701	0.3
147.04382	100.0
147.11655	0.9
148.04745	3.1
148.08592	1.1
150.06718	0.3
160.04494	0.6
165.01793	0.7
165.05472	3.6
165.07697	0.5
165.09085	7.4
165.11288	2.0
165.12717	1.8
166.04852	0.9
166.08568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02375	0.4
53.03934	0.8
54.03439	0.2
55.01867	0.5
55.05503	1.8
56.05019	0.4
57.03435	0.4
58.06572	0.3
60.32928	0.2
65.03925	2.2
66.04709	0.2
67.05495	4.3
68.05016	0.8
69.03430	1.1
69.07058	0.5
70.06570	0.9
71.58241	0.3
71.84708	0.2
77.03925	0.2
79.05478	2.9
80.05009	0.6
81.03403	1.0
81.04547	0.5
81.07050	4.1
82.06569	0.4
83.01329	0.6
83.04978	0.7
83.06084	1.0
83.08617	0.7
85.07641	0.5
91.05466	33.0
92.05814	0.9
93.07035	2.2
94.06544	0.4
95.04397	0.2
95.04958	4.4
95.06062	0.6
95.08592	4.4
97.02859	0.3
97.06517	0.4
97.07636	0.6
101.00877	0.4
103.05454	1.0
105.03389	0.4
105.07014	6.3
107.04956	0.9
107.06082	0.8
107.08580	2.6
108.05699	0.3
109.06512	2.3
109.07620	0.5
109.10139	2.6
110.06013	0.3
110.07226	0.3
111.09195	0.4
117.06973	0.7
119.01928	4.4
119.04925	56.5
119.08559	4.1
120.05202	1.3
120.08080	1.8
121.06541	0.4
121.07594	0.4
121.10147	1.2
122.03653	0.4
122.07165	0.8
122.56630	0.2
123.04417	3.4
123.06707	0.3
123.08039	5.9
123.11681	1.1
124.08738	1.3
125.09508	0.6
133.02858	2.3
133.06456	1.7
135.08112	0.2
136.07574	0.3
136.08673	0.3
137.02991	2.1
137.05959	4.9
137.07002	0.3
137.07872	0.3
137.09602	1.7
138.05415	0.3
138.10248	0.4
142.03476	3.2
142.96710	0.3
147.04385	100.0
147.11671	1.7
148.04744	3.3
148.07591	0.3
148.08691	0.8
150.06728	0.3
160.04526	1.0
165.01814	0.7
165.05472	3.9
165.07695	0.4
165.09065	3.5
165.11353	1.6
165.12732	3.7
166.05000	0.8
166.08563	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	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00246	0.3
56.96548	1.0
57.03424	0.5
58.99859	0.3
61.39019	0.2
65.01223	0.2
65.92619	0.6
70.83374	0.7
70.83736	0.3
80.94941	1.0
81.03421	0.4
82.01415	0.6
82.99805	1.3
89.00890	0.3
95.04920	0.9
100.02473	1.4
100.03055	0.2
101.00864	24.5
101.42773	0.2
101.99000	0.2
102.00952	0.6
115.02436	0.4
118.01096	0.3
118.03506	0.6
119.01903	100.0
120.01983	4.1
120.76466	0.3
121.02354	0.5
121.97520	0.4
122.06009	0.5
123.04411	0.9
124.02434	4.3
124.93867	0.5
127.67068	0.2
131.01888	0.4
133.03502	0.5
137.02939	31.7
138.03011	1.2
141.69159	0.3
142.03481	62.0
143.03635	2.4
147.04327	0.3
160.04535	19.7
160.96007	0.8
161.01227	0.2
161.02939	0.6
161.04680	0.9
165.05064	2.5
183.06209	0.4
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	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.5
55.01862	0.7
55.05503	0.6
56.05030	0.9
56.05272	0.2
56.96530	0.3
57.03445	0.2
58.06596	0.3
59.06110	0.3
65.03923	2.2
67.05496	2.3
68.05019	1.1
69.03408	0.4
69.07059	0.3
70.06573	0.9
70.34559	0.7
71.86975	0.2
79.05480	2.2
80.05020	0.7
81.03403	0.5
81.04533	0.8
81.07040	2.3
82.06570	0.9
83.04976	0.8
83.06098	1.6
85.07649	0.6
90.56474	0.2
91.05468	32.7
92.05801	0.7
93.04507	0.2
93.07026	0.9
94.04178	0.3
95.04964	3.6
95.06082	0.5
95.08589	1.9
97.06528	0.4
97.07645	0.7
98.07148	0.4
101.00887	0.5
103.05434	1.0
105.03373	0.4
105.07021	4.6
107.04947	0.5
107.06055	1.1
107.08552	0.9
108.05642	0.2
108.06844	0.4
109.02863	0.3
109.06498	2.0
109.07630	0.8
109.10123	1.1
110.07143	0.4
111.04434	0.2
111.09163	0.4
117.06998	0.3
119.01940	2.9
119.04927	58.1
119.08554	3.5
120.05225	1.5
120.08118	1.7
120.08897	0.3
121.06554	0.4
121.07622	0.7
121.10117	0.9
122.03642	0.3
122.07144	1.3
123.04419	3.1
123.08048	2.7
123.11702	0.5
124.08701	1.2
124.27661	0.2
125.09476	0.8
133.02829	1.5
133.06476	1.4
135.08009	0.5
136.07625	0.3
136.08640	0.2
137.03004	1.2
137.05951	3.8
137.09561	1.5
138.06506	0.3
138.09244	0.2
138.10258	0.8
142.03494	2.0
142.96617	0.2
143.03520	0.2
147.04388	100.0
147.11630	1.0
148.04742	2.9
148.07576	0.3
148.08583	1.0
160.04556	0.7
165.01807	0.7
165.05513	2.9
165.06879	0.3
165.07677	0.5
165.09074	2.9
165.11330	2.0
165.12756	1.6
166.04916	0.3
166.08630	0.8
177.50673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02366	1.3
51.28725	0.7
53.03689	0.8
53.03941	12.3
55.01857	2.7
55.05507	9.0
57.07070	1.2
60.63389	0.7
63.97601	0.6
65.03936	1.3
67.05501	17.3
69.03416	1.2
69.07060	10.1
69.96355	3.8
74.35450	0.6
77.03915	2.2
79.05486	45.9
80.05800	1.0
81.03435	2.9
81.07047	33.8
83.04985	0.9
83.08618	4.8
91.05471	12.2
92.02614	4.7
93.07036	41.7
94.07367	1.2
95.04961	20.0
95.08595	31.3
96.05300	1.0
96.08946	0.8
97.06541	0.8
100.02457	1.8
101.51817	0.6
103.05433	3.2
105.03397	5.0
105.04491	3.8
105.07012	5.6
107.04945	8.3
107.08585	43.8
108.08900	0.9
109.06486	1.6
109.10133	2.5
115.05431	0.7
117.07022	4.3
118.03505	0.7
118.06586	0.7
119.04920	2.6
119.08572	3.5
121.06523	4.0
121.10133	44.3
122.10444	1.4
126.45255	0.6
130.07770	0.9
131.04922	2.3
133.02837	27.5
133.10080	0.8
134.03178	1.7
135.04408	28.9
135.08034	2.7
135.11697	7.3
136.04729	1.9
137.10423	0.6
138.03113	1.1
145.02809	0.6
145.10133	4.1
147.08029	0.7
163.03889	100.0
163.07495	5.0
163.09802	1.4
163.11163	24.4
163.14807	28.3
164.04259	6.4
164.05444	0.8
164.06999	3.9
164.15198	1.8
177.93695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.94167	0.5
53.03933	3.6
55.01888	0.6
55.05504	11.3
57.07074	1.8
65.03930	1.6
65.12606	0.5
67.05497	5.1
69.01450	0.5
69.03423	1.3
69.07061	20.7
69.81716	3.6
71.08628	0.5
76.54018	0.5
77.03918	1.1
77.45657	0.5
79.05484	20.0
80.05005	0.8
81.03407	0.9
81.04538	0.8
81.07046	20.9
83.04992	0.7
83.08609	7.1
89.03911	3.3
91.05466	14.7
91.12914	0.5
92.02605	1.0
93.05785	1.0
93.07034	34.2
94.06596	0.6
94.07378	0.9
95.04956	7.4
95.06075	1.2
95.08594	20.1
96.06837	0.6
100.09428	5.1
100.11244	9.9
103.05459	13.0
104.05791	0.8
105.03378	1.4
105.04504	1.6
105.07028	8.2
107.04942	6.6
107.08581	100.0
108.04466	0.5
108.05577	1.1
108.08108	2.0
108.08927	3.2
109.06506	2.9
109.07643	0.7
109.10125	1.8
115.05434	1.2
117.03376	2.1
117.07004	2.0
119.04944	1.2
119.06031	0.9
119.08540	3.5
120.34634	0.5
121.06497	2.2
121.10131	29.0
122.06124	0.6
122.07142	2.7
122.10413	0.5
123.08048	1.0
126.05489	1.4
130.07747	0.8
131.04910	13.7
132.05307	0.8
132.08055	0.9
133.02843	6.3
135.04398	13.0
135.05463	0.6
135.08028	3.2
135.11671	13.7
136.07565	45.2
136.08542	1.6
136.12024	0.6
140.07074	1.7
143.11766	0.5
145.02835	2.1
145.03899	0.7
145.06461	1.8
145.10132	2.9
146.07089	1.2
161.13232	0.8
163.03891	33.7
163.07532	8.2
163.09775	3.5
163.11166	6.6
163.14796	42.8
164.04265	1.9
164.07013	8.9
164.11465	0.8
164.15155	2.2
182.15388	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	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64058	0.3
68.38589	0.3
71.08134	0.6
82.01420	0.7
82.99795	1.5
83.40341	0.2
85.25809	0.3
100.02470	1.1
101.00859	22.7
102.00955	0.9
118.03487	0.5
119.01894	100.0
120.01985	3.8
121.02296	0.3
124.02424	3.7
137.02927	28.5
138.03041	1.4
142.03473	51.8
143.03632	3.5
160.04526	17.3
160.06502	0.4
161.04657	1.3
165.05092	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01616	0.5
51.02371	0.5
51.45469	0.6
53.03946	5.6
55.01865	1.2
55.05508	8.4
57.03449	0.5
57.07064	2.0
65.03928	2.0
67.05489	4.7
68.05003	0.7
69.03425	2.1
69.07060	22.9
71.47372	1.2
76.82628	0.4
77.03912	1.0
79.05483	22.9
80.04998	1.3
81.03419	1.2
81.04531	1.2
81.07047	21.1
81.11393	0.4
82.05383	0.5
83.04936	0.5
83.08604	4.9
85.02914	0.5
89.03909	3.6
91.05467	16.4
92.02606	1.8
93.07034	39.1
94.07349	1.1
95.04342	0.6
95.04955	12.1
95.06097	1.6
95.08593	20.1
96.06855	0.7
96.08961	0.5
97.07653	0.8
102.08138	0.5
103.05460	13.3
105.03419	2.6
105.04481	2.5
105.07019	10.6
107.04945	9.3
107.08581	100.0
108.05579	1.6
108.08172	1.0
108.08908	2.7
108.16113	0.4
109.06496	3.4
109.07629	0.7
109.10133	2.1
115.05451	1.3
117.03342	3.5
117.07022	4.5
118.06540	0.8
119.04927	0.9
119.06066	1.5
119.08566	4.7
120.02145	0.5
120.05573	0.6
121.06474	2.8
121.10130	35.1
122.07121	2.5
122.10456	0.9
123.07962	1.6
130.06435	0.7
130.07790	2.0
131.04912	14.4
132.05261	1.0
132.08134	0.5
133.02840	12.5
133.07568	0.5
133.10138	0.9
134.03111	0.8
135.04396	20.4
135.08015	3.9
135.10654	0.9
135.11673	14.6
136.04744	1.3
136.07545	5.5
136.08633	1.5
138.03087	0.8
145.02890	2.6
145.06450	1.8
145.10103	7.0
146.07074	1.1
148.08859	0.5
158.96277	0.5
161.13353	0.7
163.03886	60.4
163.07544	8.9
163.09778	5.5
163.11160	12.0
163.14803	40.3
164.04318	3.9
164.05466	0.5
164.05898	0.6
164.06993	4.4
164.10558	0.9
164.15259	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	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01582	0.2
51.02361	0.3
53.03940	1.8
55.01851	0.9
55.05484	1.3
62.65415	0.3
65.03939	0.5
67.05478	1.1
69.03411	0.7
69.07052	2.7
71.60368	0.4
77.03896	0.6
79.05475	8.8
81.03408	0.6
81.07047	3.0
83.04953	0.6
88.48094	0.3
89.03907	2.2
91.05458	4.8
92.02592	0.8
93.07022	6.8
95.04953	3.7
95.06055	0.4
95.08590	1.9
100.02460	0.3
102.66037	0.3
103.05447	13.5
104.05733	0.4
105.03377	0.7
105.04523	0.7
105.07008	3.8
107.04933	9.5
107.08579	8.2
108.04388	0.3
109.06502	0.6
109.10075	0.3
115.05450	0.7
117.03320	1.5
117.06998	4.3
119.04915	0.7
119.08534	1.8
119.64181	0.3
121.06491	2.0
121.10118	3.5
122.07157	0.7
130.06618	0.3
130.07771	1.2
131.04901	13.9
132.05289	0.4
132.08022	0.4
133.02834	3.3
133.06483	2.8
135.04395	7.6
135.05380	0.3
135.08028	3.6
135.11681	2.4
136.04700	0.4
136.07544	0.5
136.08543	0.4
142.19389	0.3
143.08488	0.5
145.02795	0.7
145.06445	0.4
145.10104	8.2
145.11241	0.5
147.08014	3.4
148.05106	0.3
148.08803	13.5
149.09148	0.5
163.03879	21.4
163.07523	6.1
163.11148	100.0
163.14731	2.9
164.04231	1.0
164.07045	1.1
164.11528	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	1.0
53.03938	4.3
55.01861	1.7
55.05503	7.6
57.03417	0.6
57.07071	1.3
62.65947	0.4
63.20375	0.4
65.03925	3.6
67.05486	5.6
68.05016	2.0
68.99773	3.0
69.03414	3.2
69.07056	19.9
70.07361	0.5
71.04996	0.6
71.58113	0.5
77.03921	1.4
78.95255	0.7
79.05479	30.1
80.05008	1.0
80.05795	0.6
81.03400	1.9
81.04551	2.1
81.07042	23.3
82.05298	1.1
82.06580	0.7
83.04954	0.6
83.06107	0.6
83.08604	5.7
85.02895	1.6
85.61884	0.4
86.47784	0.4
89.03899	10.4
90.04279	0.5
91.05463	20.2
92.02610	1.7
92.05787	0.8
93.03382	0.9
93.07029	39.9
94.06566	0.7
94.07373	0.5
95.04955	12.2
95.06050	2.8
95.08591	20.9
96.06857	1.0
96.08949	0.5
97.07645	1.4
97.10180	0.5
102.04642	1.0
103.05452	52.7
104.05759	2.8
105.03360	1.5
105.04484	3.4
105.07011	12.6
106.06563	0.5
106.07355	0.9
107.04939	17.3
107.06092	1.9
107.08575	89.0
108.05569	1.7
108.08092	1.3
108.08910	2.9
109.06492	2.9
109.07634	1.4
109.10139	1.3
115.05447	2.6
117.03356	7.2
117.05804	0.5
117.07004	7.3
117.38536	0.4
118.03488	0.8
118.06560	0.6
119.04929	1.9
119.06039	2.1
119.08552	5.2
119.97839	1.0
120.05591	1.9
121.02766	1.0
121.06502	4.9
121.10124	32.7
122.06007	1.0
122.07138	5.4
122.10396	0.6
123.05563	0.9
123.07970	3.4
129.07005	0.5
130.06516	1.2
130.07751	1.8
131.04907	56.4
132.05226	2.9
132.08064	1.5
133.02849	9.7
133.06497	0.7
133.07510	0.5
133.10127	1.6
134.03177	0.7
135.04395	25.2
135.08020	6.5
135.11668	12.2
136.03839	0.6
136.04781	1.5
136.07542	4.3
136.08662	3.8
136.12045	0.9
137.07031	0.5
145.02846	5.3
145.03911	1.1
145.06461	3.6
145.10097	8.3
146.06007	0.7
146.07080	1.5
147.04388	0.6
147.07988	0.6
148.05188	3.4
148.08769	0.7
158.96318	0.6
163.03879	100.0
163.07516	22.7
163.09766	9.5
163.11154	16.3
163.14792	36.9
164.04320	6.3
164.06889	4.4
164.08159	1.0
164.11702	0.8
164.15160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	1.1
53.03714	0.8
53.03941	9.9
55.01863	4.9
55.05494	2.0
56.75449	0.5
56.96533	0.4
57.03413	2.0
65.03933	0.6
67.05495	5.4
69.03414	1.8
69.07065	3.1
70.81523	0.5
70.81870	1.5
77.03918	1.9
79.05486	18.0
81.03410	2.4
81.07042	7.1
83.04971	0.7
83.08585	0.8
89.03883	1.6
91.05464	11.4
92.02599	3.0
93.07032	16.3
95.04953	18.3
95.08588	4.8
96.05296	0.9
100.02448	0.7
103.05453	4.4
105.03383	3.8
105.04498	3.9
105.07013	7.3
107.04943	10.1
107.08577	15.7
109.06486	1.4
115.05458	1.5
116.06223	0.7
117.03391	1.0
117.07006	8.8
118.03555	0.7
119.04915	1.3
119.08549	4.3
120.02078	0.7
121.06475	5.3
121.10114	5.4
122.05996	0.5
129.06953	0.6
130.06497	0.7
130.07764	2.2
131.04915	4.1
132.08115	0.7
133.02835	23.9
133.06485	0.7
133.10129	0.7
134.03120	1.1
135.04398	28.2
135.08055	3.8
135.11655	6.4
136.04747	0.8
136.07542	0.8
138.03038	0.7
142.47739	0.5
145.02821	0.8
145.06516	1.2
145.10107	10.4
163.03882	100.0
163.07515	4.3
163.11148	21.1
163.12227	0.8
163.14798	2.3
164.04285	3.7
164.07054	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	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.00293	0.5
53.03937	1.2
54.03485	0.5
55.01868	3.7
55.05504	11.4
56.05029	17.8
56.05828	0.6
56.96558	16.9
57.03429	8.3
57.07084	0.5
58.03751	0.4
58.06597	5.2
58.99599	0.4
58.99840	2.1
59.04989	1.2
59.06105	0.5
59.99945	0.5
60.04513	2.6
60.08169	2.9
60.95840	2.0
61.02924	3.1
63.64635	0.5
64.95536	0.6
65.03925	1.6
65.94113	0.4
67.05494	0.9
68.02634	0.6
68.04993	0.8
68.27153	0.4
68.99780	0.8
69.03423	9.8
70.06586	3.5
70.06897	0.6
71.01340	1.4
71.04983	4.4
71.61469	0.9
72.04513	3.8
72.08146	1.5
73.02907	5.8
73.06547	9.2
74.06069	3.7
74.97592	0.7
75.01016	1.2
75.04461	1.2
76.07636	0.7
77.00886	2.8
78.52934	0.5
79.05480	2.2
79.51897	0.5
80.04990	0.7
81.03403	7.3
81.07061	3.2
82.01426	0.8
82.06568	6.7
83.00782	0.7
83.01316	0.6
83.04971	0.9
83.08605	3.8
84.01559	5.3
84.04493	86.5
84.08132	10.6
84.95988	0.9
85.02895	14.8
85.04839	1.3
85.06518	2.1
85.08454	1.0
86.03680	1.9
86.06075	2.2
86.09655	0.5
87.04459	4.1
88.07610	1.0
88.99144	0.6
89.00773	0.9
89.03891	0.8
90.01566	0.9
90.05540	7.1
90.52930	1.3
91.02403	0.6
91.05477	1.6
91.52099	0.9
92.01288	0.9
93.01514	0.5
93.02060	3.4
93.07024	0.8
94.06530	0.6
95.00726	0.5
95.01321	0.9
95.01936	1.0
95.04947	2.0
96.01550	1.6
96.08116	0.6
97.02312	1.0
97.02879	5.3
97.96780	1.2
98.01283	0.7
98.03191	0.8
98.06052	7.0
98.09688	1.8
98.97565	5.1
99.02060	1.5
99.04417	3.5
99.08077	1.4
99.53464	1.8
100.02466	9.3
100.03979	3.2
100.05212	1.3
100.07604	100.0
100.99089	0.6
101.00835	1.7
101.02460	1.8
101.05989	0.6
101.07925	2.1
101.52306	0.6
101.53167	0.4
102.00940	1.1
102.02283	1.6
102.05515	4.2
102.09165	23.2
102.96866	1.0
103.00621	0.6
103.02373	2.0
103.03934	3.9
103.05436	1.9
103.53734	0.8
104.01267	1.0
104.07057	0.5
104.52677	1.2
105.00338	0.5
105.02086	2.6
105.04451	0.6
105.07008	1.7
106.02829	0.8
106.06551	0.6
106.07288	0.5
107.04935	16.9
107.05664	0.9
107.52297	0.6
108.02479	0.5
108.05280	1.2
108.08142	0.7
109.02846	3.7
109.06489	0.5
109.52952	0.5
110.01257	2.7
110.02037	0.7
110.97552	0.7
111.02113	0.7
111.02941	1.3
111.04389	0.5
112.02763	1.1
112.99145	0.5
113.00900	1.0
113.01751	0.8
113.02470	0.5
113.03413	0.7
113.53199	1.0
114.04155	2.8
114.52187	0.9
114.53024	0.5
114.54198	0.7
115.02403	4.0
115.03998	0.5
115.05438	1.6
115.97817	1.6
116.00206	0.5
116.07075	37.1
116.10737	2.8
116.54477	2.0
116.98611	4.0
117.02016	1.1
117.04659	0.5
117.05508	1.2
118.01115	1.0
118.02703	1.0
118.03503	7.5
118.05045	0.6
118.06547	0.5
119.00256	0.5
119.01889	8.8
119.03581	2.1
119.04915	0.9
120.01975	10.1
120.03283	1.1
120.53992	0.8
120.97888	2.4
121.01644	7.2
121.02841	8.7
121.03522	0.6
121.52103	0.5
121.52917	1.0
122.02279	0.7
122.03119	0.9
122.53662	0.5
123.03233	0.5
124.02737	1.6
125.02595	0.8
125.53384	0.5
125.54958	2.7
126.02563	1.3
126.05212	0.6
126.09136	4.6
127.03110	0.8
127.03914	2.6
127.07567	0.6
128.02284	0.7
128.98589	1.0
129.03992	0.8
129.54477	0.7
130.04240	0.6
130.04987	11.5
130.53398	0.9
130.54257	0.8
131.00156	1.9
131.01875	6.1
131.03474	0.6
131.04922	2.9
132.01950	0.9
133.01715	0.6
133.03604	4.0
133.06522	1.1
134.03639	2.1
134.05986	1.2
134.08113	1.1
134.09612	0.5
134.99582	2.7
135.02145	0.5
135.03178	2.0
135.04384	4.7
137.02948	1.8
137.53290	0.5
137.98358	0.5
138.03041	6.0
138.53917	1.4
138.54948	0.6
138.98921	3.1
139.02487	4.2
139.03903	0.5
139.53052	0.6
140.00229	0.5
141.02715	1.2
141.05090	0.7
142.03477	1.4
143.01825	0.9
143.03636	0.9
144.03281	1.0
144.06537	12.6
144.10162	2.9
145.01694	0.8
145.03476	2.9
145.04938	4.7
145.07401	1.6
146.99596	1.8
147.01398	0.8
147.03134	0.6
147.04977	1.6
148.05128	0.8
149.01201	6.3
149.02924	1.4
149.04758	1.0
150.01701	0.5
151.04604	0.8
151.07486	1.1
152.04655	0.8
153.00671	0.6
153.04230	1.0
154.03474	2.2
156.05032	0.6
157.00034	0.8
157.03452	31.1
158.01201	0.7
158.03619	2.4
159.04341	0.8
160.05208	0.6
161.01180	0.7
161.02922	1.8
161.04456	0.4
162.03094	1.3
162.04147	1.5
162.05611	6.3
162.07599	85.0
162.11227	19.8
162.14871	0.7
163.02681	0.9
163.03862	12.7
163.07657	1.5
163.08676	2.0
167.02266	2.6
167.05609	0.6
170.02953	1.0
171.05147	0.9
172.02856	0.9
172.04604	0.7
173.01181	0.7
173.02876	1.4
175.02969	0.5
175.04501	8.6
176.04662	0.6
180.05141	2.6
181.00003	0.5
181.03632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0759
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03932	2.1
55.01859	3.3
55.05503	12.0
56.05030	21.4
56.96561	8.2
57.03434	6.8
58.06580	4.3
58.99844	1.9
60.04514	1.5
60.08138	1.8
60.96529	0.9
61.02917	2.8
65.03925	1.3
67.05484	1.1
69.03410	7.9
70.06564	2.6
70.74419	3.1
70.74765	1.0
71.01301	1.4
71.04967	3.9
72.04499	5.1
73.02906	3.3
73.06543	8.8
74.06055	2.7
76.07635	1.0
77.00887	1.6
79.05464	2.6
81.03398	5.2
81.07049	5.1
82.06564	5.7
83.08614	8.9
84.01533	2.1
84.04491	100.0
84.08131	11.1
85.02893	12.6
85.04778	1.0
85.06528	2.0
85.19639	1.1
86.06061	2.5
87.04450	4.3
88.07603	1.5
90.05542	5.9
91.05452	1.7
93.02021	2.2
95.01315	1.0
95.04917	1.4
97.02868	5.9
98.06030	5.3
98.09668	2.6
98.97559	2.5
99.02045	1.5
99.04422	2.2
99.08069	3.1
100.02447	7.7
100.03948	3.5
100.07601	73.1
101.00861	1.4
101.02492	1.9
102.00960	1.3
102.02301	1.7
102.05515	4.1
102.09166	22.5
102.96845	1.6
103.00600	1.5
103.03930	2.6
105.07005	1.4
107.04940	13.5
109.02888	1.9
109.06515	1.3
113.00835	1.2
114.04190	1.7
115.02410	2.8
115.05431	1.0
116.07076	36.1
116.07919	1.9
116.10690	1.9
116.54443	2.0
116.98581	2.1
117.04573	1.1
118.03498	5.2
119.01918	7.1
120.01977	17.7
120.03167	1.2
120.08103	1.2
120.97882	1.4
121.01672	8.4
121.02806	5.0
123.04714	1.3
125.54948	1.7
126.09138	7.5
127.03904	3.0
130.04987	11.9
131.01851	2.9
131.04897	2.0
133.02670	1.3
133.03513	2.7
134.03551	2.0
134.08115	1.0
134.99634	2.0
135.03203	2.6
135.04401	4.2
137.02917	2.1
138.03073	5.4
138.98911	1.3
139.02528	4.3
141.02647	1.2
144.03200	2.2
144.06549	10.1
144.10129	2.9
145.03491	1.5
145.04942	4.3
147.05002	1.6
149.01207	3.7
157.03441	21.3
161.02890	1.4
162.03101	2.1
162.05562	5.5
162.07599	63.7
162.11221	18.1
163.02654	2.0
163.03868	12.7
163.07655	1.8
175.04539	6.3
180.05115	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
51.02379	0.5
53.03935	1.4
55.01866	1.8
55.05506	9.7
56.05043	0.7
57.07081	0.4
58.99576	4.7
59.06118	0.7
60.04509	0.7
67.05489	2.7
68.05003	0.4
69.03427	0.4
69.07058	13.1
72.08114	0.4
74.06068	0.5
77.03896	0.7
79.05479	9.6
81.03403	0.4
81.07048	5.9
81.07503	0.7
84.04515	0.5
85.02894	0.7
86.06030	0.5
86.99042	1.9
88.02218	0.5
89.03902	0.4
90.04694	0.9
91.05466	14.4
92.05805	0.5
93.04513	0.6
93.07039	5.0
94.05280	0.4
95.04978	2.3
95.08595	0.9
95.27557	0.4
97.02895	0.5
100.88277	0.4
102.05524	0.7
103.05456	7.1
104.06254	0.5
105.03397	1.9
105.07015	91.8
106.07323	2.9
107.06046	0.6
107.08585	3.5
113.02339	1.1
115.05442	9.5
116.01669	3.3
116.07017	0.4
117.07011	5.7
118.04150	4.3
118.07786	0.5
119.08564	100.0
120.05592	1.0
120.08080	0.7
120.08911	3.3
121.06403	2.4
121.10143	1.5
128.06212	1.1
129.06973	0.5
130.04109	0.5
130.07742	0.7
130.23958	0.4
131.04906	1.2
131.08551	6.7
132.05722	0.5
132.09338	0.9
133.02835	2.5
133.05421	0.5
133.06473	16.0
133.10109	41.3
134.03590	1.5
134.06033	0.5
134.07039	2.2
134.10483	1.2
143.04900	0.9
143.06012	0.6
143.08545	1.7
144.09267	0.6
145.10110	1.8
146.03600	1.6
146.07205	1.1
146.10884	3.4
147.04378	1.5
159.11676	4.9
161.02316	0.9
161.04578	0.6
161.05968	16.3
161.08124	2.1
161.09576	6.5
161.13235	80.7
162.03159	0.4
162.05309	2.9
162.06586	1.1
162.07799	0.6
162.09134	1.5
162.13589	3.4
171.05553	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	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03928	0.6
56.05020	0.2
59.06102	0.2
61.92822	0.2
68.99796	0.3
70.04620	1.2
72.04473	0.2
75.53625	0.2
79.05467	1.0
79.59267	0.2
81.03380	0.4
84.04523	0.3
86.06045	0.3
89.03907	1.9
91.05447	0.6
92.04985	0.3
94.06519	0.7
95.04941	0.8
100.07610	0.3
102.04784	0.2
102.05523	0.5
103.05442	0.7
105.04465	0.4
105.07033	0.4
106.06532	0.5
106.07297	0.3
107.04937	0.8
116.04958	3.9
117.03328	0.4
117.05334	0.2
117.06971	0.2
118.06516	0.4
120.04441	3.1
120.08052	0.2
120.96468	0.2
123.07922	0.3
131.04889	0.7
133.02853	1.4
134.05984	0.7
135.04410	2.4
135.05412	0.4
135.08107	0.2
136.08636	0.3
144.04413	1.0
145.02769	0.4
162.05473	100.0
163.03871	6.9
163.05827	2.4
163.07433	0.4
163.09782	0.5
164.35652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.49739	0.9
53.03924	2.4
55.05500	6.4
65.03904	1.6
67.05151	1.6
67.05493	22.9
69.03434	1.2
69.07059	7.0
77.03880	1.2
79.05480	31.0
81.07046	25.0
83.08578	1.1
91.05466	87.7
92.05762	2.1
93.07035	19.7
95.04945	2.6
95.08590	15.3
97.02840	1.1
103.05431	3.2
105.03370	2.0
105.07015	84.5
106.07334	2.3
107.08571	5.6
111.50537	0.9
115.05416	5.6
117.07002	29.9
117.07819	1.7
118.04151	3.1
119.08564	76.6
120.08851	1.9
121.06480	2.5
128.06207	6.2
131.04935	2.0
131.08549	4.8
132.05670	1.2
133.06479	6.2
133.10115	46.3
134.07024	0.9
134.10489	1.6
143.04868	0.9
143.08540	10.4
145.06520	1.6
145.24290	0.9
146.03630	1.8
146.07240	3.2
146.10915	0.8
159.11679	3.4
161.02295	1.2
161.05969	11.9
161.09605	49.8
161.13232	100.0
162.05484	3.9
162.09955	2.7
162.13606	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.79972	0.5
51.02357	0.6
51.72817	0.5
52.55724	0.5
53.03935	1.9
55.01843	1.2
55.05510	4.8
65.03918	1.3
67.05494	25.5
67.05854	1.3
69.03423	4.2
69.07059	6.6
70.66015	1.0
77.03890	1.0
79.05483	38.1
80.05807	0.7
80.60558	0.5
81.07045	30.7
83.08613	1.2
88.73647	0.6
91.05467	92.6
92.05806	2.3
93.07034	24.9
94.07363	0.9
95.04948	3.0
95.08589	17.1
95.09207	0.8
103.05447	3.6
105.03391	1.1
105.07013	87.1
106.06624	0.7
106.07353	2.4
107.04934	1.8
107.08585	4.9
115.05445	4.6
116.58747	0.6
117.07003	30.1
118.04162	0.6
118.07333	0.5
118.07751	0.6
119.04894	0.8
119.08562	71.1
120.08805	1.2
120.09409	0.7
121.06477	6.0
121.10114	0.6
128.06204	7.2
131.04901	1.6
131.08531	5.2
132.05719	1.3
132.09395	0.8
133.06482	6.7
133.10110	50.3
134.05898	0.6
134.10458	1.9
143.08536	10.7
145.06444	1.6
146.03609	0.7
146.07251	10.1
146.10857	1.0
158.58685	0.6
159.07973	0.7
159.11681	4.2
161.05952	5.0
161.09599	75.6
161.13229	100.0
162.05502	1.7
162.10077	3.0
162.13577	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	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76185	0.6
52.01892	0.8
53.03930	0.8
54.03467	0.9
55.01869	1.0
55.05511	0.8
59.04987	0.6
66.03442	1.8
67.02977	1.8
67.05490	0.8
68.05018	1.9
69.03410	1.7
69.27050	6.4
74.06036	0.5
79.02950	2.8
79.05476	2.7
80.03747	1.7
81.04530	3.8
81.07054	0.8
91.05478	7.6
93.04528	6.7
93.07036	3.5
95.04944	1.1
95.06013	0.8
96.04459	1.2
103.05448	1.6
105.03416	0.7
105.07018	43.5
106.06615	0.7
106.07355	0.7
107.04948	2.7
107.06051	0.8
107.96287	0.5
113.02357	2.7
115.05444	2.3
116.06268	0.6
117.07018	2.6
119.08585	7.1
120.05576	15.1
121.06422	37.4
122.06773	1.0
128.06210	5.1
131.04907	4.4
131.08563	2.5
132.05685	1.8
133.06477	4.6
133.10110	27.0
134.07106	4.8
134.10452	0.7
135.06628	1.1
138.06615	2.4
139.07326	0.8
143.08531	4.5
144.05589	2.1
145.06458	3.8
146.03568	0.9
146.07246	28.4
147.07584	1.5
159.08046	1.2
161.06114	4.7
161.08226	26.0
161.09605	100.0
161.13185	4.7
162.05510	1.6
162.08798	1.3
162.10110	3.5
163.97736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01854	0.9
55.05495	1.2
56.17591	0.3
65.03908	0.4
67.05496	2.0
69.03049	0.5
69.03420	10.2
69.07045	1.1
70.85601	0.9
79.05477	3.3
81.07042	2.4
90.36357	0.3
91.05465	10.8
92.05769	0.3
93.07037	4.4
95.04929	0.8
95.08590	1.3
103.05449	1.4
105.07013	46.3
106.06693	0.3
106.07317	1.5
107.04973	2.0
107.05566	0.4
107.08575	1.0
115.05422	1.5
116.06231	0.4
117.07021	2.6
118.07764	0.7
119.04935	0.8
119.08561	11.4
120.08861	0.4
121.06486	15.3
122.06832	0.8
128.06203	9.7
131.04893	3.3
131.08559	2.1
132.05734	2.0
133.06476	3.2
133.10107	27.5
134.10445	0.7
141.06996	0.4
143.08534	11.7
145.06479	3.5
146.07246	28.4
147.07542	0.7
159.08022	1.4
159.11652	0.4
161.06070	1.6
161.09593	100.0
161.13214	10.3
162.05479	0.8
162.09964	4.5
162.13554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.73750	0.3
52.72732	0.3
53.03930	0.3
54.06003	0.3
55.01865	1.2
55.05498	1.1
56.05038	0.3
58.99576	1.9
63.52994	0.3
69.03429	0.3
69.07063	1.3
69.54101	2.5
76.12097	0.3
77.03928	0.4
79.05475	3.4
81.07050	0.6
85.58138	0.3
86.99046	0.9
91.05467	6.4
93.07047	0.9
94.79340	0.3
95.04954	0.7
98.20683	0.3
103.05444	2.8
105.03382	0.8
105.07014	34.8
106.07360	1.0
106.23709	0.3
107.04975	0.7
113.02325	0.4
115.05438	16.7
116.01696	1.4
117.07034	0.4
118.04156	1.1
119.04919	3.5
119.08563	8.9
120.05570	0.4
121.06396	0.7
126.05485	0.4
131.04922	1.1
131.08537	0.7
132.05725	0.5
133.06471	69.7
133.10092	4.8
134.06804	2.2
142.04044	0.5
143.04918	3.1
143.05962	0.6
143.08511	0.4
144.05641	0.5
146.03630	1.1
146.07245	0.5
147.04367	0.9
159.11594	0.5
160.05147	0.5
161.05956	100.0
161.09450	2.8
161.13229	7.4
162.06386	3.7
171.05515	20.4
172.05956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.3
58.08027	0.1
58.99855	0.3
66.07502	0.1
69.03430	0.2
69.98554	0.6
69.98972	0.3
75.78314	0.1
82.99808	0.8
98.21357	0.2
98.97569	0.4
100.02457	0.6
100.97166	0.2
101.00862	16.3
101.95026	0.2
102.00903	1.2
102.96861	0.4
103.00632	0.3
105.06973	0.2
116.98620	0.3
118.03500	0.6
119.01900	100.0
120.01989	7.7
120.97890	0.4
121.01623	1.3
121.02327	0.2
121.21327	0.1
124.02403	0.3
124.97579	0.3
133.03409	0.3
133.98065	0.6
134.99698	0.2
136.48354	0.5
137.02934	39.4
138.03024	3.1
138.98961	0.2
139.02541	0.2
142.03474	3.3
143.01855	0.3
143.03642	2.3
144.03130	0.7
145.48874	1.9
154.49411	0.2
157.03505	0.2
160.04553	1.0
161.02933	3.7
161.04631	2.6
162.03081	0.2
162.04248	0.9
179.03978	6.3
179.05617	0.7
180.04024	0.3
180.05350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05014	0.2
56.96559	1.1
57.03429	0.1
58.99857	0.4
59.06115	0.2
60.00624	0.2
60.08149	0.1
60.95847	0.2
69.03400	0.1
70.22484	0.2
70.22891	0.3
70.99821	0.1
72.04491	0.2
72.08143	1.1
77.00885	0.3
77.07639	0.1
79.51183	0.1
82.01431	0.4
82.99795	0.9
84.04498	0.3
84.08130	4.8
85.01358	0.2
85.02908	0.2
88.51688	1.2
89.00890	0.2
89.01705	0.4
89.51514	0.1
92.51936	0.2
95.01884	0.1
96.99740	0.1
97.02893	0.2
98.01408	0.5
98.09668	0.3
98.97560	1.0
100.01821	0.2
100.02467	1.7
100.51661	0.1
101.00860	10.7
101.52458	1.4
102.00946	0.8
102.01587	0.1
102.02425	0.3
102.05517	0.2
102.51419	0.9
102.51994	0.1
102.52331	0.1
102.96863	0.2
103.00617	0.8
103.01314	0.1
103.01791	0.1
103.02427	0.7
103.50603	0.1
103.51270	0.2
105.00352	0.2
105.06997	0.3
105.50848	0.2
106.00294	0.1
107.01883	0.1
109.52189	1.7
110.02232	0.3
110.52085	0.2
111.02177	0.3
112.01122	0.4
112.51137	0.2
113.31175	0.1
114.51401	0.8
115.00591	0.2
115.01378	0.3
115.02393	0.1
116.05743	0.1
116.10751	0.1
116.51144	2.0
116.98624	0.9
117.00436	0.2
117.01226	0.6
118.03498	0.9
119.01903	100.0
120.01982	7.3
120.97895	0.3
121.01642	2.8
121.03466	0.3
122.52982	0.3
123.51920	1.1
124.01123	1.0
124.01994	0.3
124.51197	0.3
125.01051	0.2
125.02523	0.2
125.51655	2.0
126.00854	1.3
126.01744	0.6
126.04011	0.4
126.50874	0.3
127.00747	0.2
128.01962	0.4
128.51175	0.3
128.99138	0.2
130.08595	0.8
131.01868	0.4
132.52400	0.1
133.01627	3.9
133.03423	0.3
133.51683	1.2
134.01463	0.6
134.99840	1.9
135.01329	0.6
135.02719	0.2
135.51913	0.7
135.99957	0.4
136.02039	0.2
137.02939	48.6
137.51624	2.1
137.52582	0.2
137.99687	0.4
138.00772	0.2
138.01772	0.6
138.03055	3.4
138.51553	0.4
138.98932	0.2
139.02570	0.8
139.03615	0.1
142.03479	4.6
143.01974	0.6
143.03619	2.4
144.03238	0.9
144.05106	0.3
144.06503	0.2
144.10211	0.3
144.52429	1.1
145.02509	0.5
146.52173	1.6
147.01295	1.1
147.02304	0.4
147.50378	0.1
147.51450	0.4
148.01297	0.2
149.02444	0.2
149.10448	0.2
149.50484	0.1
149.51656	0.2
151.00902	0.1
151.04494	0.2
153.00931	1.0
154.01033	0.3
156.01974	0.8
156.52077	0.2
156.97462	1.5
157.01723	0.2
157.03462	0.4
158.01476	0.2
158.02962	0.1
158.52132	0.1
158.99887	0.2
160.04521	1.6
161.01457	1.7
161.02954	4.1
161.04630	1.8
161.09473	0.2
161.12952	0.3
162.01599	0.4
162.03088	0.2
162.04338	0.4
162.07599	0.3
162.99278	0.1
163.01221	0.2
174.02446	0.2
174.98520	2.1
175.04556	0.2
176.02464	0.3
177.00932	2.9
177.02493	0.1
178.00996	0.7
179.00743	0.5
179.02499	2.2
179.04019	5.7
179.05678	0.5
179.99059	0.6
180.02673	0.6
180.04095	0.2
180.05525	0.1
181.02220	0.2
184.03044	0.3
184.04570	0.3
184.06218	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	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.4
56.96556	0.7
58.99863	0.4
59.06101	1.1
59.93100	0.5
71.25137	0.4
71.95248	0.2
72.08129	0.4
77.94186	0.3
79.05502	0.3
82.01409	0.2
82.99854	0.9
83.68178	0.2
84.04489	0.2
92.77800	0.2
95.06039	0.2
97.07686	0.2
98.97572	0.8
99.05528	0.3
100.02479	1.4
100.03926	0.2
100.81165	0.2
100.97211	0.4
101.00861	16.1
101.95009	1.1
102.00980	0.4
102.02180	0.3
102.05510	0.4
103.00602	0.3
105.07058	0.3
116.98601	0.8
117.98925	0.4
118.01694	0.3
118.03501	7.3
118.06526	0.6
118.96733	2.5
119.01900	100.0
119.96049	0.5
120.02022	2.3
120.03266	0.8
121.01628	2.0
121.02354	0.3
124.02399	2.1
134.02951	0.3
134.99583	0.6
135.03085	0.3
135.99928	0.4
136.02756	2.4
136.04515	6.8
137.02934	42.7
137.96997	0.2
138.03081	0.7
138.04234	0.4
139.02713	0.6
141.05116	0.2
142.03476	36.9
143.03682	1.6
143.08162	0.2
154.03743	0.4
154.96477	0.8
160.04530	40.4
161.02979	1.6
161.04625	2.1
161.09435	0.5
165.05093	1.4
178.05585	15.2
179.03981	3.8
179.05595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03939	0.6
55.05505	0.5
56.75896	0.5
56.96560	0.6
57.07069	0.7
65.03936	0.5
67.05506	2.9
70.06570	1.2
71.59285	0.8
72.04504	0.8
76.93355	3.8
79.05480	0.8
81.07042	1.0
91.05470	10.9
92.05779	0.7
94.94389	2.1
95.04924	0.6
97.02900	0.6
98.97587	0.7
99.10009	1.0
100.07622	1.2
103.05463	1.4
105.07018	22.2
111.89337	0.5
113.02348	1.6
113.07937	0.5
114.05537	0.8
115.05415	3.4
116.06226	1.8
117.07011	21.0
117.95982	3.1
118.06532	0.6
118.07288	0.6
118.96738	0.8
119.08572	11.7
119.99660	0.5
128.06200	2.1
129.06999	16.3
129.63553	0.5
130.07797	7.2
131.04904	1.1
131.08557	35.0
132.07971	0.7
132.08897	2.0
134.99666	0.8
135.96933	3.0
137.02090	0.6
141.01808	5.4
141.06947	1.5
142.07755	2.1
143.08521	2.1
144.05727	2.6
144.09337	28.8
145.06456	0.8
145.09779	1.2
157.10130	4.5
158.98550	0.7
159.08075	15.6
159.11674	100.0
160.09721	1.2
160.12036	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
54.72425	0.6
55.05489	0.8
67.05492	4.0
69.03430	0.7
69.65965	1.1
69.66370	3.2
70.06568	1.2
72.04509	0.7
76.93354	1.7
79.05491	3.2
81.07060	2.8
89.04303	0.6
91.05474	16.1
93.07035	1.8
95.04901	0.6
98.09682	0.6
100.07620	1.1
103.05462	1.0
105.07018	25.0
113.02355	2.1
114.05486	1.3
115.05433	5.5
116.06203	2.3
117.07007	31.2
117.95979	1.6
118.06537	0.7
119.08566	8.3
126.57989	0.6
128.06180	2.0
129.06990	14.8
130.07800	7.6
131.08553	52.6
132.08899	2.2
132.64848	0.6
135.96989	1.2
137.81519	0.7
141.01814	5.3
141.07042	0.8
142.07762	2.2
143.08568	1.9
144.05667	1.7
144.09329	21.1
145.06508	0.7
145.09720	0.8
157.10127	4.0
158.98665	1.0
159.08043	8.8
159.11673	100.0
160.07425	0.9
160.09666	1.2
160.12067	4.3
160.13185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05498	0.6
67.05495	3.6
69.03426	0.6
70.06575	0.9
76.93353	1.6
79.05472	1.8
81.07020	1.2
91.04935	0.8
91.05470	11.3
93.07063	0.6
94.94375	0.6
99.10053	0.6
100.07618	0.8
103.05434	0.9
103.09456	0.4
105.07017	25.2
106.07349	0.7
108.25050	0.4
113.02359	1.4
114.05528	0.6
114.09122	0.5
115.05450	4.0
116.06239	2.5
117.07008	25.8
117.95940	1.3
118.07363	1.0
119.08565	9.2
120.08871	0.6
128.06166	1.5
129.06990	15.6
130.07788	7.6
131.08553	48.9
132.08894	2.4
135.96910	0.5
141.01820	3.6
141.06969	1.3
142.07744	2.5
143.08531	1.9
144.05682	1.7
144.09328	24.6
145.09676	1.0
153.92580	0.4
157.10120	4.5
159.08073	13.1
159.11673	100.0
160.08429	1.0
160.09703	1.0
160.12007	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	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03968	1.6
55.01896	1.9
55.05529	1.9
56.05026	11.5
56.96558	7.2
57.03429	3.3
57.07085	1.4
58.02981	1.9
58.06627	2.3
59.06113	8.7
59.93134	1.3
60.04517	5.0
61.02944	2.2
67.05505	1.1
68.04717	0.6
68.05014	3.2
68.64260	0.6
69.03448	2.3
69.04567	1.3
69.49692	5.8
70.02952	0.9
70.06612	3.0
71.01341	3.9
71.04990	3.7
71.06138	2.8
71.95265	0.8
72.04500	5.7
72.06891	1.0
72.08162	1.7
73.02929	0.9
73.60835	0.7
73.95718	0.9
74.06105	2.3
75.04493	2.0
75.05611	1.4
76.03994	3.8
76.93356	3.2
77.94186	0.8
79.05500	0.8
80.05019	0.9
81.03390	4.8
81.04560	0.7
81.07070	1.3
82.06617	0.7
83.05001	2.5
83.06116	1.9
84.04488	8.5
84.06423	0.7
84.08149	1.2
85.02903	5.2
85.04040	1.2
85.06548	0.9
85.07645	3.3
86.02440	1.9
86.06078	2.9
86.08432	0.8
87.00815	0.9
87.04476	1.3
87.05607	2.2
88.03989	0.7
88.07635	0.9
91.05470	4.1
94.94428	1.1
95.04989	2.4
95.06078	3.7
95.08641	1.2
96.04489	2.8
96.08159	0.7
97.02898	0.9
97.07669	1.5
98.06081	1.6
98.09673	4.6
98.21473	0.7
98.97575	9.9
99.04447	4.3
99.05554	6.3
99.09384	1.0
99.10003	9.6
99.97935	0.8
100.03960	3.9
100.07629	2.1
101.02409	1.4
101.07146	2.0
102.05531	4.4
103.03952	1.1
103.05447	5.1
105.07018	4.4
106.06612	0.8
109.02876	1.6
111.04389	1.1
111.05592	2.0
113.02336	4.9
113.06017	2.1
113.07120	7.8
113.07890	1.0
114.05518	4.6
114.09184	1.4
115.05445	30.6
116.04990	1.1
116.05713	1.1
116.97323	1.0
116.98601	16.7
117.01844	1.3
117.05773	14.5
117.06586	2.8
117.07053	2.3
117.95968	2.9
118.05046	0.7
118.06525	6.9
118.96770	4.5
119.01883	1.5
119.08568	1.1
123.05540	1.2
125.07089	1.1
127.00246	1.2
127.03838	1.5
129.06989	2.0
130.05530	1.3
130.06512	27.3
130.07567	1.3
131.04922	13.4
131.06837	4.2
131.08566	8.2
132.08070	100.0
133.08405	2.8
134.99644	23.9
135.00699	1.2
135.96989	2.6
135.99974	1.8
140.00145	0.8
141.01804	9.0
141.05531	1.3
141.06541	5.6
142.03401	1.2
142.06499	46.2
143.07062	1.4
143.08221	0.9
144.05652	1.5
144.09309	3.6
151.66998	0.8
153.00639	4.7
153.96637	1.4
154.96434	2.4
158.01239	1.2
158.08339	1.8
159.02974	1.2
159.04372	2.1
159.06374	2.0
159.07744	12.9
159.09131	83.3
159.11679	12.8
160.04214	2.3
160.07556	21.3
160.09576	4.4
161.07826	0.7
177.00636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02389	0.4
55.05519	0.4
55.47929	0.4
56.96566	0.7
57.20263	0.4
60.38956	0.4
64.93887	0.5
65.03940	0.9
67.05484	3.3
70.78834	1.7
74.99254	0.4
76.93369	1.5
79.05492	2.2
81.07062	1.7
91.05466	18.1
92.05822	0.7
93.07027	0.8
103.05453	1.5
105.07015	24.1
106.07367	0.8
113.02403	0.5
115.05433	5.7
116.06234	2.2
117.07002	37.8
117.95976	1.3
118.07362	1.8
119.08568	11.3
128.06235	1.6
129.06990	21.1
130.07776	20.9
131.08549	88.1
132.08881	4.1
135.97003	0.5
141.01813	1.1
141.06958	0.5
142.07761	1.8
143.08528	1.4
144.05688	0.8
144.09323	22.8
145.09674	1.1
157.10115	3.5
159.04405	0.8
159.08150	2.7
159.11668	100.0
160.12024	5.9
168.68457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01863	0.8
55.05505	3.3
56.05014	1.1
56.96557	13.3
57.03424	3.7
57.04540	1.2
58.06593	2.0
59.04984	0.9
59.37983	0.4
60.04506	0.7
60.08155	2.0
61.02891	0.4
67.45457	0.3
68.02655	0.5
69.03417	3.1
69.07053	2.2
69.56911	0.4
70.06583	5.3
70.98110	0.7
71.01345	0.5
71.05000	1.8
71.06911	0.5
71.95261	1.0
72.08141	0.8
73.02909	1.4
74.06057	0.9
74.07175	0.7
77.00835	0.3
81.03415	2.8
81.07050	0.4
82.03728	0.8
82.06572	6.5
83.04966	1.1
84.08140	0.4
85.02886	2.5
86.03683	0.5
86.06046	1.6
87.04451	3.7
88.07607	1.2
89.51663	0.4
92.01298	0.8
94.06587	0.7
95.04974	0.4
95.06052	0.6
96.02425	0.3
96.08118	7.1
97.02874	2.2
97.96809	0.6
97.99177	0.6
98.09684	1.8
98.13443	0.4
98.97572	16.0
99.04443	1.1
99.10002	4.2
99.53461	0.7
99.97888	0.6
100.02531	0.6
100.06935	0.8
100.07600	15.0
101.00864	1.1
101.05440	0.4
101.06010	2.5
102.09158	2.1
103.02455	0.7
104.07087	1.0
108.53930	0.4
109.02857	0.8
110.03181	0.7
110.51409	0.8
110.97581	0.4
111.02941	0.9
111.05556	1.3
113.07137	0.8
113.09027	0.4
114.03697	0.4
114.05505	0.6
114.09149	9.5
115.02427	0.8
115.09472	0.6
115.97832	0.7
116.04720	100.0
116.98605	16.4
117.02056	0.4
117.98936	0.5
118.01089	0.8
118.03529	0.5
119.01903	6.7
119.03667	0.6
120.02029	0.6
121.01627	1.5
122.53714	0.4
123.05550	0.7
126.52712	0.6
127.00276	2.6
128.98586	0.8
129.03915	0.5
131.00156	0.7
131.01880	2.1
131.54482	0.4
133.03435	1.5
133.98836	0.5
134.05759	0.9
134.99643	13.1
135.03163	1.0
136.00081	0.5
137.02922	1.6
141.01759	0.4
141.06573	0.6
142.03494	1.6
142.08621	3.1
142.12256	8.5
143.01880	0.5
145.03448	1.7
146.99557	0.6
149.01213	0.9
149.02968	0.5
151.04477	0.8
153.00697	2.7
157.03506	0.6
158.01242	0.9
159.02917	0.4
159.11105	0.4
159.12048	1.6
159.14868	5.8
159.16011	0.5
160.03633	11.1
160.09662	12.8
160.10814	1.8
160.13336	2.9
161.02995	0.9
173.02922	0.5
175.04506	0.9
177.00702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
56.96558	25.3
57.03429	4.0
59.04982	0.5
60.04501	0.3
61.02942	0.3
67.51059	0.5
68.00261	0.2
68.02635	0.7
69.03424	1.4
69.99458	0.9
70.06578	5.0
70.98103	1.5
71.01340	0.9
71.04986	1.8
71.95258	1.6
72.04472	0.3
73.02909	1.3
73.51034	0.3
74.97590	0.6
75.01035	0.4
75.04449	0.5
77.00787	0.3
81.01038	0.4
81.03402	5.0
82.01804	0.4
82.03780	0.3
83.00793	0.3
83.06080	0.3
84.01554	0.6
84.08138	0.5
84.96015	0.9
85.02888	2.7
86.03670	0.8
87.01039	0.4
87.04462	1.0
87.50788	1.0
88.99148	0.7
89.00732	0.3
89.06036	0.4
90.01543	0.8
91.00508	0.4
91.02328	0.8
91.05506	0.3
92.01337	0.2
93.02061	0.4
96.01524	1.2
96.51286	0.5
97.96788	3.9
97.99165	1.6
98.01286	0.4
98.09679	100.0
98.97569	50.8
99.02058	0.4
99.04439	0.9
99.10013	2.2
99.97891	0.5
100.05221	0.8
101.00743	0.7
102.53119	0.8
103.02302	0.4
105.02075	0.7
107.52344	0.3
108.01526	0.6
109.02878	3.2
109.06506	0.3
110.01245	2.8
110.97546	1.9
111.53625	1.1
112.02811	0.3
112.07596	1.1
112.99160	0.4
115.02345	0.3
115.97842	1.9
116.00204	1.1
116.98605	37.7
117.02025	3.2
117.98957	0.8
119.01801	2.4
119.04940	0.5
120.26111	0.3
120.54021	0.3
121.52049	0.7
126.00782	0.4
126.02563	3.3
127.01546	0.4
128.02266	0.4
128.52768	0.5
128.98586	1.9
129.01936	0.4
130.06526	0.4
130.52559	1.0
131.00162	2.1
133.98862	0.5
134.63979	0.3
134.99638	17.1
135.03058	1.0
137.05937	2.6
137.53363	0.7
138.99471	0.3
140.00180	1.8
143.00146	0.5
146.53865	0.5
146.99615	1.2
147.04343	0.3
149.01198	1.2
152.96919	0.4
153.00696	2.2
157.00490	0.4
158.01248	1.7
158.09593	1.0
158.11745	32.2
158.99673	0.3
159.12080	0.8
161.01237	0.3
173.01208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.51278	0.4
52.44488	0.5
53.03939	0.8
53.27604	0.5
54.03453	0.8
55.01863	3.8
55.05501	1.3
56.05021	3.3
56.96558	37.4
57.03429	7.4
57.07087	0.6
57.93562	1.7
58.02933	0.8
58.06589	1.0
59.04989	1.0
59.06116	4.0
60.04519	2.6
61.02924	0.7
65.28844	0.5
67.05485	1.3
68.02641	1.4
68.05015	1.6
69.03422	9.1
69.07054	2.7
69.65430	3.7
70.06581	15.1
70.98108	3.0
71.01356	1.7
71.04989	3.6
71.06104	0.9
71.83506	0.5
71.95254	4.3
72.04503	5.7
72.08143	2.8
73.02911	2.2
74.06079	0.8
74.97601	1.1
75.01015	0.7
75.04448	0.9
75.05598	1.0
75.94591	0.9
76.00029	0.5
76.93362	0.6
77.00781	0.9
80.05011	0.8
81.03407	8.3
81.04510	1.0
81.05775	1.1
82.01839	0.9
82.02943	0.8
82.06570	0.9
83.00784	0.9
83.04984	0.7
83.06092	2.6
83.46363	0.5
84.01553	1.1
84.04496	6.2
84.06928	0.5
84.08137	3.6
84.96030	1.3
85.00497	0.6
85.02897	4.1
86.03682	1.4
86.06061	3.2
86.08430	1.0
86.09676	0.5
87.00980	0.9
87.04454	14.0
87.05560	2.9
87.50802	0.9
88.07642	0.7
88.99153	1.8
89.00753	0.9
89.06046	0.6
90.01550	1.1
91.00548	0.7
92.01313	0.8
93.33658	0.5
94.06557	15.6
95.04951	1.3
95.06094	1.5
95.07361	3.7
95.52378	0.6
96.01525	3.3
96.04480	15.9
96.08120	4.9
97.02340	0.7
97.96783	4.3
97.99171	2.4
98.01282	2.8
98.06045	19.9
98.09679	100.0
98.97569	74.0
99.04459	2.8
99.05575	3.6
99.10009	2.5
99.97894	0.8
100.01009	0.9
100.03957	0.8
100.05168	0.8
100.07641	1.1
101.00757	1.1
101.07124	1.1
101.52338	1.0
102.05528	1.4
102.09146	1.4
103.02330	0.6
103.05455	0.9
105.02048	1.4
105.07017	0.7
106.01046	0.7
107.00180	0.7
107.01810	0.8
108.01517	0.7
109.02873	4.8
110.01269	4.0
110.06067	0.6
110.07171	1.0
110.97554	1.9
111.00228	0.6
111.05579	0.6
111.07923	0.8
111.54994	0.8
112.00977	0.6
112.02847	0.6
112.07590	16.3
112.08762	0.6
112.11217	0.6
112.55729	7.6
113.02409	0.8
113.05955	2.4
113.07134	1.2
114.02537	0.5
114.05512	13.4
115.05453	0.9
115.97810	2.8
116.00182	1.4
116.07080	2.3
116.97223	6.1
116.98606	70.3
117.02000	4.1
117.05743	0.9
117.06567	0.7
117.98942	0.7
119.01788	2.6
119.07315	2.0
120.00819	0.6
121.52032	1.2
122.06022	5.0
123.05553	0.9
126.00732	0.8
126.02553	5.1
126.55454	1.1
128.01279	0.7
128.02313	0.7
128.52846	0.9
128.98575	3.6
130.06473	1.3
130.52596	0.8
131.00136	2.2
131.04861	0.8
131.08502	0.6
131.99542	0.7
132.08064	2.5
133.98857	1.2
134.01196	0.7
134.02962	0.5
134.99641	52.4
135.03085	1.3
135.06766	1.7
137.53342	1.4
138.05493	1.2
140.00218	2.8
140.07048	57.4
140.10696	2.2
141.01804	1.6
141.06541	1.5
141.07483	1.2
143.00160	0.7
146.99646	3.3
148.96155	1.0
149.01218	1.8
152.96942	2.1
153.00682	9.2
158.01241	4.0
158.06036	1.1
158.08107	21.1
158.09546	8.8
158.11737	35.1
158.15385	2.4
159.09181	1.8
159.11891	1.4
161.01244	0.9
165.00723	0.9
173.01221	0.9
176.02284	0.7
177.00682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51647	0.4
55.01866	13.8
55.05511	1.7
55.61366	0.4
56.05020	1.6
56.96560	14.8
57.03431	7.4
58.03766	0.4
58.99850	2.0
59.52184	0.4
59.99932	0.6
60.99627	0.5
61.02916	2.6
63.04342	0.4
65.03931	0.5
66.52970	0.4
67.01856	1.7
67.05486	1.3
68.02652	0.4
68.05013	1.6
68.99774	1.4
69.03416	3.5
69.07050	0.6
69.36777	3.9
69.67592	0.4
70.06580	1.3
70.95857	4.7
70.98109	0.4
71.01334	0.8
71.04983	1.2
71.95246	0.7
72.08145	0.7
72.93784	3.9
72.96018	0.4
73.02904	4.1
74.02896	0.3
74.97591	0.7
75.01026	0.4
77.00899	3.1
77.44085	0.3
78.52951	7.2
79.03001	1.1
79.52813	0.9
81.03432	2.3
81.04538	0.4
82.01428	2.6
82.05305	2.1
82.06578	1.7
82.99846	0.9
83.00760	1.4
83.01342	1.3
83.04971	1.3
83.06095	9.3
84.01551	1.0
84.04480	0.9
84.08120	1.1
84.96024	0.9
84.99243	2.7
85.01413	0.8
85.02892	2.8
85.07652	0.4
85.51899	0.5
85.53735	0.5
86.06042	1.4
86.52670	1.0
87.00797	0.7
87.02760	0.4
87.04463	0.5
87.53462	1.6
88.51592	0.4
88.96899	2.6
89.00814	0.5
90.03745	1.3
90.94819	2.2
91.02428	0.8
92.01272	0.9
92.52690	4.6
93.02769	0.6
93.04523	6.4
93.52547	0.4
94.06532	0.6
94.51538	0.4
94.52433	0.5
95.01317	4.8
95.01928	1.1
95.04980	0.9
95.06080	5.9
96.04485	1.1
96.08137	0.5
97.02901	2.6
97.06502	0.8
97.96790	0.6
97.99191	0.6
98.21475	0.8
98.52622	0.4
98.97571	1.7
99.04446	0.8
100.00084	1.1
100.02471	20.0
100.07590	0.9
100.52412	0.6
101.00863	11.3
101.02541	3.5
101.53204	2.9
102.00941	0.9
102.02246	1.7
102.03283	1.0
103.02443	7.4
103.52103	0.4
104.02536	0.6
104.03468	1.0
105.00367	0.5
105.02012	0.4
105.51659	0.6
106.97926	0.4
107.53154	0.6
107.70889	0.4
108.52187	0.6
109.02839	0.8
109.03503	0.5
109.52940	1.2
110.01272	0.9
110.02325	0.6
110.06091	2.4
110.07150	82.2
110.09648	1.0
111.00790	1.0
111.02014	0.5
111.04434	1.4
111.05569	2.0
111.06837	0.4
111.07485	1.2
111.08136	0.6
111.09211	0.4
111.98461	1.8
112.00984	0.5
112.07574	0.5
113.00866	1.0
113.02375	1.1
113.53187	1.2
114.03996	2.4
114.05521	0.7
114.09155	0.5
115.00580	1.0
115.01318	1.7
115.02419	5.6
115.97809	0.8
116.00214	0.7
116.98608	1.6
117.01844	1.7
118.01135	4.3
118.03503	15.8
119.01903	100.0
119.03553	2.5
120.01977	8.4
120.03269	0.7
121.01614	2.0
121.03475	6.6
122.53690	0.4
123.03148	0.4
123.04062	1.4
124.02451	1.4
125.00021	0.4
126.02518	0.5
126.03988	0.6
126.09119	0.8
127.03921	0.6
128.04214	0.9
128.07065	1.4
128.10678	1.1
128.98552	0.4
129.01888	0.5
129.99506	1.2
130.06302	0.5
131.01878	7.1
132.01976	7.8
132.05051	5.0
132.95805	4.6
133.01666	9.1
133.03447	33.7
133.05156	1.3
133.98907	0.5
134.03627	2.2
134.04781	0.9
134.99663	2.1
135.03198	0.7
136.02136	0.7
137.02940	49.6
137.52315	0.4
138.03044	3.8
138.04012	0.8
138.05463	2.3
138.06419	0.6
138.09116	1.4
139.02534	0.5
139.03928	0.8
139.07535	0.4
141.02730	1.8
141.05043	1.3
142.01965	2.0
142.03485	42.4
142.51973	0.6
142.96472	0.8
143.01923	0.7
143.03584	3.8
144.03217	0.6
144.04993	0.6
144.99831	0.9
145.03423	1.3
146.99588	0.6
147.05008	1.1
149.01196	0.9
149.02974	2.2
150.03047	3.7
150.06059	1.0
150.96873	14.1
150.98856	0.5
151.02692	3.2
151.04506	13.3
152.04599	1.1
153.52625	0.8
154.03517	1.2
155.03575	0.7
155.97444	0.6
156.01976	0.5
156.03079	0.9
156.04083	0.3
156.05122	5.7
156.06500	1.6
156.07649	6.7
156.10179	5.7
156.13814	0.7
157.01315	2.1
157.03537	2.5
157.04822	2.5
157.07745	0.5
157.09741	0.7
160.02191	1.7
160.04530	17.1
160.97586	1.9
161.01215	0.4
161.02977	1.4
161.04662	1.5
165.05086	2.9
168.01436	1.6
168.97897	0.6
168.99899	0.6
172.04504	0.7
173.98456	1.0
174.03087	1.1
174.06070	3.0
174.99344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Arecoline
Peak:m/z	Relative Intensity
52.83550	0.6
53.03924	2.0
54.03445	1.2
55.01855	2.0
55.05506	20.6
55.93503	1.1
56.05029	5.3
56.05824	0.6
56.96539	0.6
57.03413	2.1
57.04554	0.7
57.21916	0.5
58.06580	1.4
59.04986	0.9
59.06112	3.3
60.04524	3.3
64.34071	0.5
64.36370	0.5
66.04317	0.5
67.02969	1.7
67.05496	6.3
68.05019	3.2
68.05814	0.7
69.03427	4.0
69.04528	2.1
69.07059	3.3
70.02924	1.5
70.06584	6.6
70.95858	22.7
71.04984	12.7
71.06058	0.8
71.57831	0.8
72.04520	3.3
72.08127	1.9
72.93784	21.3
73.93813	1.2
74.06046	1.5
74.93827	5.9
79.05479	13.7
80.05003	1.3
81.03404	0.7
81.04522	2.8
81.07028	2.2
82.02912	2.6
82.06564	3.8
82.07371	0.8
83.04980	2.9
83.06080	2.7
84.04505	3.8
84.08135	1.1
85.02894	1.7
85.06534	72.0
85.07593	1.6
86.06055	18.6
86.06835	1.2
86.09686	1.9
87.04451	1.8
87.05573	0.6
88.09882	0.7
88.96893	7.5
90.94801	5.3
92.94833	2.1
93.04511	0.8
93.07021	1.5
94.06546	2.6
95.04942	2.5
95.06079	1.0
95.08572	1.4
96.04475	2.6
96.05218	2.9
96.08118	10.5
97.02873	2.7
97.04007	3.8
97.05263	0.9
97.06514	4.8
97.07653	3.6
98.04763	1.3
98.06026	1.6
98.07159	2.8
98.09663	1.7
99.05562	1.7
100.03996	0.7
100.07619	1.2
101.07073	0.6
103.05437	0.7
106.06544	33.9
106.97929	1.3
107.06856	1.3
108.95865	1.4
110.02387	2.2
110.06046	3.9
110.07157	4.4
110.09686	2.8
110.10388	0.6
111.04424	2.3
111.05556	3.5
111.08047	1.9
111.09174	1.7
111.98452	8.5
112.07635	1.2
113.07126	1.6
113.10764	1.4
113.96377	3.5
114.05542	0.7
114.06632	4.4
114.09206	0.8
114.96461	0.6
115.04998	1.1
115.08698	0.7
115.96450	5.2
120.05576	1.0
124.07578	100.0
125.07907	2.5
126.05544	0.7
126.09155	3.0
128.04224	1.4
128.06200	1.2
128.07063	1.2
128.10707	2.1
129.07031	3.1
129.99492	4.3
130.06528	2.8
131.97408	1.9
132.95822	21.2
133.97467	3.5
138.05475	2.7
138.06602	5.2
138.09137	5.3
139.03912	1.0
139.05022	1.6
139.07550	1.4
139.08614	1.9
139.09634	0.7
141.06975	3.2
142.07770	6.7
149.35056	0.6
150.96873	61.7
151.97116	0.7
155.97404	3.5
156.06531	2.6
156.07664	5.6
156.10196	30.0
156.11253	1.9
156.13818	2.2
157.04948	2.3
157.06384	0.8
157.07602	13.6
157.08867	1.0
157.10048	3.7
168.97989	3.0
173.98515	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	156.0419
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
59.93082	1.1
69.36890	3.5
69.37304	8.5
74.09708	22.7
82.06535	1.8
85.02895	1.8
92.31985	1.3
94.06571	1.7
96.96899	4.0
97.02855	1.4
98.20599	1.4
110.06025	1.6
110.07139	4.3
111.52190	1.2
112.05250	1.5
115.02422	1.4
119.01880	2.0
130.06297	22.7
132.01968	3.8
133.01643	1.5
133.03455	3.5
134.03563	1.2
136.50780	1.3
138.05498	8.4
156.04198	100.0
156.10176	2.5
157.04640	1.5
160.27278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00311	1.2
53.03930	2.7
55.01852	2.3
55.05244	1.6
55.05503	34.0
57.03432	8.5
57.07067	73.6
58.07399	1.2
59.04992	5.3
65.03941	4.8
67.05495	100.0
68.05810	2.6
68.99777	0.8
69.03407	3.6
69.04517	0.9
69.06741	0.9
69.07060	10.2
69.58783	3.7
69.59207	3.1
70.95847	3.5
71.01347	22.7
71.04984	84.6
71.08598	1.0
72.05297	1.5
72.93364	1.2
72.93779	24.4
79.05482	10.2
81.03403	2.3
81.07046	60.9
82.07376	1.6
83.04977	7.4
83.08607	2.8
85.02894	1.3
85.06535	18.3
85.07636	0.9
88.96882	2.4
90.94804	4.1
91.05471	8.2
93.07023	10.4
94.16235	0.8
95.04958	24.5
95.08593	76.0
96.08952	2.0
97.06493	3.2
98.07166	1.0
98.20778	1.2
98.98454	1.6
99.04444	59.3
99.08086	6.7
100.04763	0.9
101.05986	2.2
107.04967	1.0
107.08599	5.1
109.02856	3.1
109.06502	17.6
109.10141	97.3
110.06004	1.1
110.07110	1.0
110.10464	2.8
111.04416	2.8
111.08058	6.6
111.98438	2.8
112.01593	1.5
112.08688	0.9
113.06003	11.1
113.09652	1.8
113.96397	9.9
114.06625	1.5
119.08556	4.0
123.04378	2.7
125.02443	0.9
127.03886	6.2
127.07556	1.5
128.04274	1.1
129.76393	1.0
129.99490	0.9
131.97447	7.6
132.95784	4.7
137.02371	0.9
137.05937	2.4
137.09605	13.4
137.13203	1.2
138.06557	1.8
149.97083	1.8
150.96875	11.6
155.03375	3.1
155.07088	7.3
155.09047	3.7
155.10634	12.3
155.12877	1.5
155.14211	4.3
155.97357	1.3
156.11324	1.1
173.98473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	2.1
53.03933	4.9
54.03459	1.9
55.01847	3.7
55.05505	17.7
57.03425	3.8
57.07058	2.7
59.04729	1.8
59.04978	10.9
63.17702	1.8
65.03931	32.5
66.26126	1.6
67.05490	21.4
67.82170	1.5
68.05010	4.8
68.96300	2.0
68.99767	1.8
69.03414	6.8
69.04526	4.0
69.07057	15.2
69.65265	7.8
69.65671	4.1
70.06566	5.6
70.94250	4.5
71.04985	29.8
72.08138	3.9
72.73780	1.6
73.06548	19.1
73.92510	1.6
79.05035	2.6
79.05486	46.1
81.03432	3.2
81.04540	5.0
81.07047	100.0
82.06561	2.1
82.07351	2.6
83.04967	12.2
83.06065	3.8
83.08594	3.8
84.08150	3.3
85.02891	2.6
85.06550	2.8
88.95293	2.2
91.05477	16.0
93.03399	18.0
93.07036	46.3
94.06581	2.2
95.04970	13.4
95.06061	5.4
95.08600	16.0
97.06518	19.2
101.55209	1.8
105.07002	3.2
107.04931	13.9
107.08584	53.5
108.05613	3.8
108.08129	2.7
108.08883	2.5
109.06483	7.3
109.07632	6.3
109.10146	9.7
110.03624	8.2
110.07142	4.0
111.04433	59.6
111.08048	10.3
111.09186	5.1
111.96844	2.1
112.08691	7.8
113.05846	4.4
119.06106	1.8
119.08537	2.3
121.02878	1.9
125.05975	29.2
125.09603	3.9
126.05482	2.0
126.10221	2.5
130.96286	2.3
135.04430	4.4
135.08057	3.9
135.11684	22.1
136.07498	4.8
136.08582	3.3
136.72415	1.6
138.03134	5.9
138.06784	2.6
148.97308	4.1
153.01852	8.5
153.05472	29.4
153.07864	2.9
153.09090	9.5
153.11328	15.2
153.12704	14.5
154.04950	4.7
154.06050	3.0
154.08585	3.4
154.09718	3.6
156.18344	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	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01865	4.1
55.05494	3.7
55.93506	0.9
56.96561	12.2
57.03156	0.8
57.03426	8.7
58.99854	3.7
59.99937	0.8
60.95861	0.9
61.02911	1.6
65.03938	0.9
67.01845	1.9
67.05505	4.6
67.77495	0.8
68.04992	1.1
68.99778	1.3
69.03439	4.0
69.07021	1.1
69.96155	1.9
70.06574	2.0
70.95837	2.8
70.99827	1.4
71.01341	1.5
71.04961	2.8
71.61275	1.1
71.94076	1.1
72.04520	0.9
72.08123	1.3
72.93782	7.5
73.02918	4.1
76.02687	0.9
77.00901	4.4
78.52952	5.3
79.05505	0.8
81.03417	8.3
81.07030	3.0
82.01446	3.6
82.06549	1.8
82.99855	1.3
83.04972	5.4
83.06085	2.3
84.08124	5.7
85.01395	1.6
85.02862	4.4
85.06525	0.9
86.03677	1.8
86.06043	3.1
87.04457	1.1
87.53462	1.3
88.02645	1.7
88.96872	1.4
89.00838	1.0
90.94801	1.8
92.01292	0.8
92.52694	3.8
93.04511	2.5
94.99800	1.0
95.00791	0.8
95.01297	4.3
95.01856	0.7
95.03439	1.4
95.04968	5.6
95.06067	2.9
95.08582	1.3
95.53252	0.8
96.04487	3.9
97.02888	1.9
98.97544	2.1
98.98424	1.7
99.04491	3.8
99.04981	0.8
100.00091	1.8
100.02468	25.4
100.05222	1.0
100.52367	1.0
101.00208	1.5
101.00848	13.8
101.02493	1.0
101.03429	1.3
101.53169	1.6
102.02322	1.6
102.04207	1.1
103.02438	7.9
103.03107	1.2
104.03439	0.8
105.00337	0.8
107.03384	0.8
107.53177	1.1
109.02849	9.3
109.06467	2.9
109.10109	2.6
109.52923	1.7
110.06002	1.6
110.07150	32.6
111.02896	1.2
111.04413	5.4
111.98460	1.7
112.01546	3.1
112.02659	0.9
112.07560	1.1
113.00851	10.4
113.02372	1.0
113.05975	3.3
113.96375	1.9
114.00967	1.1
114.04018	3.8
115.02412	3.2
116.98592	2.0
117.01841	1.9
118.01128	9.5
118.03503	20.9
119.01903	83.1
120.01996	2.9
121.03468	6.8
123.04377	1.0
124.02438	2.0
126.02545	1.1
127.03896	12.3
127.07500	2.5
127.12225	1.1
128.04053	0.8
128.98604	1.3
129.03922	1.1
131.01889	100.0
131.96132	3.7
131.97420	2.4
132.01950	15.6
132.05046	15.2
132.95816	2.5
133.01651	4.0
133.03452	26.4
133.05049	1.0
134.03590	1.0
134.99661	1.3
136.02158	2.6
136.04524	1.0
137.02956	30.6
137.05922	2.5
137.10727	0.9
138.03995	0.9
138.05476	1.0
138.09087	4.2
140.04684	1.0
141.02704	3.3
141.05075	1.9
142.01767	1.7
142.02271	1.2
142.03482	28.5
145.03381	4.3
146.99622	2.1
149.02934	29.9
149.97186	11.3
150.03090	3.4
150.06062	8.7
150.96857	9.0
151.02632	1.6
151.04510	12.0
154.03502	6.1
154.90700	1.1
155.01865	8.1
155.03427	9.8
155.05753	1.1
155.07007	9.9
155.08165	1.9
155.11751	2.1
156.05148	3.6
156.06332	1.2
156.07684	2.5
156.10199	2.1
157.03398	1.1
160.04529	8.8
161.03011	1.2
163.04443	1.2
165.05106	1.2
168.01344	0.9
172.04532	0.8
173.01337	1.5
173.02931	14.5
173.04449	1.6
174.03697	3.1
174.06117	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	153.1272
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03934	1.6
55.01858	2.9
55.05501	12.1
57.03423	4.8
57.07073	3.5
59.04988	1.3
65.03929	10.8
67.05495	35.8
68.05005	0.6
68.05826	1.1
68.99799	0.8
69.03413	4.8
69.07055	52.3
70.94257	3.4
70.95831	0.9
71.04984	3.2
71.61655	0.9
71.94086	5.1
71.95245	2.4
79.05479	32.2
80.04995	0.6
80.05791	1.0
81.03400	1.3
81.07043	39.6
83.04967	12.1
83.08606	6.9
85.02888	1.2
85.06515	2.4
87.04448	1.2
89.95152	0.9
91.05465	6.0
93.03387	2.7
93.07029	51.1
94.07359	2.3
95.04972	4.7
95.08588	21.9
97.02879	0.8
97.06515	22.2
97.10099	0.7
105.04469	1.2
105.07016	2.2
107.04960	4.2
107.08575	53.1
108.04453	1.2
108.08139	0.8
108.08927	1.5
109.06503	1.9
109.10137	35.8
110.03638	3.5
111.04450	22.1
111.08051	9.4
111.11687	1.0
111.96841	1.2
112.04757	2.0
112.96699	2.2
119.53397	0.6
120.36050	0.6
123.04409	0.7
125.05956	8.8
125.09623	2.3
126.05500	1.0
126.06318	3.5
129.97943	1.2
130.97751	1.6
133.10094	1.0
135.04388	1.7
135.08038	2.0
135.11668	100.0
136.03888	1.3
136.07558	2.6
136.11986	4.0
138.03093	1.7
138.05040	1.9
139.03873	1.8
139.36188	0.6
153.01833	1.3
153.04224	1.3
153.05475	11.7
153.07411	10.0
153.09186	4.9
153.12718	79.8
154.04968	5.7
154.06105	1.2
154.08609	2.0
154.13060	3.7
154.15880	1.3
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
53.00290	1.1
53.03945	4.1
55.01852	2.7
55.05507	18.1
56.05009	1.6
56.96545	1.5
57.03413	2.4
57.07063	2.3
58.06596	1.1
58.23042	0.7
59.04991	7.8
60.77176	0.8
65.03932	21.9
67.02970	1.6
67.05500	20.3
68.05007	2.7
68.99772	1.6
69.03433	5.3
69.04551	1.9
69.07060	13.0
69.52830	2.8
69.53264	4.2
70.02939	1.2
70.06565	4.3
70.52566	0.8
70.94249	3.1
71.04985	33.4
71.06103	1.0
71.94081	0.8
72.08139	1.8
73.06548	23.8
79.05486	37.4
80.04994	1.2
80.05775	0.9
81.03401	2.1
81.04522	2.6
81.07047	100.0
82.06551	1.1
82.07395	2.3
83.04966	9.4
83.06083	2.8
83.08607	2.5
84.04478	1.0
84.08124	2.2
85.06527	1.5
87.04459	1.1
91.05463	14.4
93.03403	9.4
93.07034	45.9
94.06552	1.7
94.07365	1.2
95.04965	10.6
95.06091	5.3
95.08588	11.2
97.02863	2.3
97.04028	0.8
97.06521	15.2
97.07611	2.0
97.08279	0.7
98.20757	1.9
99.05592	0.9
105.07010	6.3
107.04952	8.4
107.08582	52.7
108.05571	2.3
108.08121	1.6
108.08834	1.2
109.02869	1.2
109.06511	6.2
109.07637	4.4
109.10136	11.2
110.03636	7.1
110.06036	1.0
110.07144	2.4
111.04430	41.0
111.08066	10.6
111.09187	2.6
111.96841	2.4
112.04794	1.4
112.07555	1.1
112.08730	5.0
112.96664	0.9
113.05846	4.2
117.07002	0.8
119.06082	0.9
119.08546	1.9
123.04403	1.3
125.05975	16.4
125.09660	3.9
126.05468	1.6
126.10246	0.8
129.97874	2.8
130.96280	1.6
135.04375	4.3
135.08093	5.7
135.11681	23.4
136.03850	0.7
136.04904	0.9
136.07512	4.3
136.08652	3.2
136.11983	1.4
137.10683	0.8
137.11755	0.9
138.03107	2.5
139.03856	2.9
146.12543	0.8
146.73222	0.7
148.97318	4.2
153.01785	3.3
153.05466	14.4
153.07756	1.3
153.09068	7.5
153.10194	1.1
153.11325	8.5
153.12708	14.7
154.04939	5.5
154.06007	1.4
154.08582	4.0
154.09691	3.0
159.25053	0.8
171.98883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03933	1.0
54.03456	0.4
55.01861	1.1
55.02980	0.8
55.05499	1.0
56.05019	0.7
56.96560	27.9
57.03436	2.7
57.07061	0.8
58.06586	0.5
58.99855	0.4
60.95841	0.7
61.02912	0.8
65.03933	6.8
66.03456	0.3
67.05494	2.6
68.05029	2.0
68.99767	0.5
69.03427	2.3
69.04544	0.4
69.05327	0.3
69.07050	0.4
70.06583	2.1
70.94212	0.5
70.98117	0.7
71.01348	0.4
71.05003	0.8
71.13810	0.3
71.14146	0.6
71.95261	2.0
72.08179	0.4
72.96038	0.4
73.02910	1.1
74.97591	0.9
75.01057	0.7
75.01913	0.5
75.45898	0.3
77.00829	0.4
79.05484	3.4
80.05002	1.7
81.03421	1.5
81.04523	0.8
81.05345	0.4
81.05796	1.0
81.07053	0.8
82.04049	1.1
82.06563	1.8
82.07362	0.3
83.00774	0.7
83.01289	0.3
83.04974	1.0
83.06087	1.3
84.01563	0.8
84.08118	1.0
84.96024	1.2
85.02893	2.2
85.04010	0.3
86.51825	0.3
87.04425	0.4
88.99174	0.5
89.00768	0.7
90.01552	0.6
90.86732	0.3
91.00510	0.6
91.05480	1.6
92.04990	2.3
92.05817	0.6
93.02195	0.3
93.03384	2.3
93.05772	1.4
93.06992	0.7
94.06549	2.0
95.04954	1.8
95.06052	0.8
96.01519	0.5
96.04474	0.8
96.05302	0.4
96.06879	0.3
96.08113	2.8
97.02884	1.3
97.06520	0.9
97.07631	2.3
98.01286	1.1
98.97577	6.0
99.04462	0.3
99.05554	0.3
100.01031	0.4
100.02441	1.6
102.02229	0.4
103.02455	2.2
104.01313	0.5
105.00288	0.5
105.02657	0.4
106.01022	0.4
106.02825	0.4
106.06564	2.5
106.07270	0.5
107.01811	0.5
107.04944	4.4
107.06062	0.7
107.08585	0.9
108.01477	0.4
108.04427	1.1
108.08105	2.5
109.02857	0.7
109.05131	1.5
109.06475	0.5
109.07627	2.4
110.01264	0.7
110.03535	4.5
110.06029	8.7
110.07153	0.4
110.53522	0.5
110.97559	7.9
111.04430	9.6
111.05242	0.5
111.05617	0.8
111.09187	1.0
112.06343	0.4
112.07575	0.5
112.09965	0.8
113.01785	0.5
113.05852	1.0
114.04151	0.5
115.02418	0.6
116.04970	0.7
116.54485	0.5
116.98602	5.3
117.01912	0.6
118.01039	0.8
118.03528	1.0
119.01880	2.5
119.03622	0.3
119.04942	0.7
120.01955	0.3
120.03261	0.6
120.05191	0.4
121.01646	0.9
121.03487	1.1
121.06528	0.4
122.03632	0.4
122.06019	2.1
122.06956	0.4
122.51655	1.0
123.04446	2.0
123.05541	0.3
123.06805	1.1
124.01880	1.0
124.03914	1.4
124.07577	3.8
124.54385	0.5
125.04675	1.5
125.05981	4.1
125.07061	1.0
125.54955	0.6
126.05419	0.5
127.01503	0.4
127.06168	0.8
128.02362	0.4
128.04539	3.2
128.98596	19.1
129.02017	0.4
129.03958	1.0
131.00168	0.6
131.01852	0.9
132.00691	0.4
133.03448	0.7
134.02411	0.5
134.06004	18.5
134.09610	0.5
134.99637	2.8
135.03029	3.6
135.04399	10.3
135.05466	1.1
135.06493	0.7
135.09131	1.7
136.01382	0.6
137.02936	0.4
137.05957	1.5
137.98328	0.4
138.05438	0.7
138.06395	0.4
141.01244	0.6
142.03487	0.3
143.00200	0.4
145.01723	0.7
146.99634	25.1
147.01323	3.0
147.05061	2.6
148.00200	0.4
149.01172	0.6
150.00693	1.9
150.01749	0.4
150.51006	0.4
151.03859	2.2
152.00276	0.7
152.01657	1.1
152.05684	33.5
152.07053	100.0
152.10666	4.0
152.11810	2.5
153.00687	0.8
153.02014	0.6
153.04068	11.0
153.05443	2.6
153.07431	2.9
153.09013	0.5
153.10146	0.4
154.02435	1.0
158.63986	0.3
158.99661	0.7
159.01237	0.7
159.03250	0.7
161.01195	0.6
161.06612	0.5
162.99046	0.5
163.02774	0.4
165.00705	3.5
165.02132	0.4
165.06026	0.4
170.01213	1.3
170.02975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.67783	0.6
53.03934	3.3
55.01868	7.0
55.05503	13.5
56.96537	0.9
57.03428	4.4
57.07067	1.5
65.03924	4.4
66.04259	0.8
67.05495	70.8
68.05834	0.8
69.03423	13.0
69.07059	6.6
69.32315	0.6
70.11362	1.1
70.11777	2.6
71.04988	4.1
73.06562	0.7
78.29261	0.6
79.05482	51.4
79.62582	0.6
80.04988	0.7
80.05825	1.0
81.03406	2.4
81.07043	71.4
82.07382	2.4
83.04968	21.8
85.06535	2.0
91.05467	65.1
92.05787	1.5
93.03366	0.8
93.07030	43.8
94.07375	1.6
95.01341	0.7
95.04955	24.2
95.08593	18.8
96.05317	1.0
96.08173	1.0
96.08915	0.8
97.06503	2.2
98.21412	0.7
103.05446	1.6
105.07014	90.5
106.06664	0.8
106.07352	4.3
107.04948	1.2
107.08576	100.0
108.05776	0.7
108.08912	3.2
109.05753	0.9
109.06503	25.3
109.10136	44.2
110.06021	0.7
110.10457	1.5
113.58586	0.7
119.01803	0.9
119.06036	1.3
119.71638	0.7
121.06516	1.1
123.04433	1.9
123.08063	8.8
123.11676	10.4
124.03947	1.4
124.07587	1.5
131.08557	4.1
133.06496	1.1
133.10106	73.3
134.10483	3.4
151.02834	1.7
151.03903	4.3
151.07654	5.2
151.11162	83.5
152.01663	1.8
152.07048	3.5
152.08098	0.7
152.11476	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	150.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
54.03816	1.4
55.01863	15.4
55.05502	2.5
56.05025	7.8
56.96557	15.8
57.03426	74.0
58.03757	2.0
58.99848	4.8
59.04986	4.4
59.52187	1.5
61.01132	5.7
61.02908	1.8
61.87051	1.5
62.02448	1.8
65.03918	3.0
65.52166	5.3
66.04250	2.8
66.52954	5.3
67.05491	8.7
68.02637	18.7
68.98271	2.4
69.03422	22.8
71.01336	5.2
71.04984	29.4
71.41105	1.9
71.41439	2.5
72.05304	2.4
72.52939	2.9
72.98784	1.5
73.02901	20.5
74.02415	1.7
74.03690	2.7
74.06067	3.5
74.52689	3.2
75.04469	3.5
75.53474	3.5
77.00878	7.1
78.52936	13.3
79.51917	16.6
80.05012	10.0
81.03403	83.6
81.99050	2.7
82.01433	24.5
82.03743	4.1
83.01457	2.0
84.52953	10.8
85.02888	28.5
85.51884	2.1
85.53708	10.5
86.03667	28.2
86.52681	9.1
86.99318	4.0
87.02810	2.6
87.04456	10.9
87.53467	8.2
88.02654	9.5
88.04754	2.2
89.00842	2.0
90.52929	17.6
91.03034	2.9
91.52775	1.7
91.53725	5.4
93.01893	7.0
93.53456	18.7
94.03562	2.4
94.06548	16.3
94.54238	3.8
94.90849	1.8
95.01914	1.8
95.03432	6.8
95.04949	3.4
96.52869	1.8
97.01389	3.0
97.02882	2.9
97.53713	1.7
98.52671	3.5
98.97561	5.2
99.03038	1.7
99.04453	13.8
99.53451	37.8
100.00088	18.7
100.02467	100.0
100.03428	8.4
100.05223	16.8
100.54246	2.1
101.00858	17.7
101.02542	12.4
101.52029	2.3
101.53183	1.8
102.02264	9.5
103.02381	3.5
104.03946	3.2
104.05354	2.7
104.07063	2.0
104.52652	16.0
105.00355	4.5
105.02807	3.5
105.52533	1.9
105.53442	3.6
106.06532	5.5
106.54214	1.7
107.53184	3.2
108.04466	20.8
108.53949	3.6
109.01341	3.4
109.02840	40.4
110.01291	3.1
110.03178	4.6
111.04350	3.4
111.53455	2.5
113.00850	9.7
113.53187	28.4
114.03260	8.4
114.04021	5.9
114.53027	2.4
115.01222	1.8
115.02423	17.0
115.03928	3.0
116.98611	4.0
118.01132	36.2
118.03499	58.2
119.01226	3.9
119.01910	47.7
119.03579	9.5
120.00848	2.8
120.02004	5.4
120.03250	3.5
120.53957	14.6
120.79353	1.4
120.86021	1.5
121.01661	3.4
121.04093	2.7
121.53878	1.7
122.06010	10.4
122.53699	15.5
123.01662	13.3
123.03954	2.4
124.02459	4.4
125.03956	3.1
126.04012	4.2
127.01537	2.8
127.02387	3.1
128.02228	5.8
129.01900	1.6
129.54463	13.3
130.04561	2.2
131.01877	40.4
131.54187	2.7
132.02000	4.9
132.05038	5.6
133.03461	19.3
134.03517	3.1
134.99687	1.9
136.02281	7.2
137.02872	7.3
138.04060	2.0
138.54990	4.7
139.02379	1.9
141.02686	74.8
141.05070	3.1
142.03574	34.4
143.02493	2.1
143.03589	4.3
144.05037	4.3
144.99828	2.5
145.03448	28.0
149.02956	4.8
150.02654	7.6
150.05476	47.1
150.06613	3.7
150.07730	6.8
150.08946	2.2
151.98320	1.7
154.03468	23.0
155.03647	5.0
156.05060	9.5
157.03456	12.2
158.03606	2.3
159.03745	6.4
160.04514	4.7
161.02968	5.3
163.04469	5.1
164.04364	2.2
168.05034	7.1
168.06474	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	151.0752
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02370	0.4
53.03931	1.3
55.01859	1.7
55.05286	0.2
55.05501	3.0
56.05017	0.3
56.96545	0.5
57.03407	0.9
57.07073	0.4
59.04983	0.5
65.03934	4.0
66.04714	1.5
67.02950	0.2
67.05495	9.6
68.05022	2.0
68.05784	0.3
68.99765	0.3
69.03421	1.8
69.04534	0.4
69.07040	1.0
69.97181	1.5
70.06576	0.8
71.01337	0.3
71.04966	0.4
77.03905	0.8
78.04691	1.3
79.05028	0.5
79.05482	8.4
80.02612	0.4
80.04986	1.0
80.05830	0.6
80.06258	3.8
81.03411	1.9
81.04529	0.3
81.07044	12.7
82.06559	0.8
82.07360	0.3
83.04958	1.1
83.06097	1.3
89.03896	0.5
90.04686	1.5
91.05468	17.4
93.03378	2.1
93.07030	8.2
94.04182	0.5
94.06544	0.6
94.07362	0.3
95.01307	0.8
95.04956	8.8
95.08593	6.0
96.08122	0.7
97.06557	0.3
97.07631	0.7
103.05457	0.8
105.03364	2.3
105.04498	0.9
105.07014	10.8
106.04158	2.3
106.06532	0.9
106.07247	0.3
107.04941	31.4
107.08575	5.8
108.02081	1.5
108.04469	0.6
108.05733	11.8
108.08885	0.4
109.02869	0.4
109.04793	0.8
109.06506	5.9
109.07622	1.2
109.10143	4.4
110.06041	0.3
110.07167	2.9
111.04420	1.5
111.07941	5.1
118.04140	1.6
119.04945	2.8
121.02831	0.6
121.06493	0.6
121.10152	0.7
122.07215	0.5
123.04410	3.1
123.06326	0.3
123.08053	5.3
123.11687	3.4
124.03942	0.6
124.07577	0.7
124.08647	1.3
133.02861	0.3
133.06522	1.5
133.07433	0.3
133.10118	4.9
134.05978	0.8
134.06993	0.4
134.10451	0.3
135.04399	9.3
135.09126	0.3
136.01503	0.3
136.05190	5.0
137.02963	0.3
137.05792	0.3
141.05434	1.4
145.28497	0.3
146.99594	0.3
151.02805	1.0
151.03947	12.3
151.07520	100.0
151.11125	10.6
152.01628	0.9
152.03156	0.3
152.04433	0.6
152.05608	0.6
152.06985	1.5
152.08037	3.5
152.10603	0.3
152.11708	0.7
153.04068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0548
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03937	5.5
54.03448	0.5
55.01861	0.4
56.96547	1.3
57.03402	0.3
65.03926	4.5
66.04255	0.9
67.05492	25.1
68.05016	0.7
68.05828	0.4
69.69499	2.7
72.93793	0.5
74.02428	0.6
74.22906	0.3
79.05473	4.4
80.05001	4.8
81.03402	2.6
81.07029	0.5
85.02852	0.4
91.05456	0.8
93.05781	1.4
94.06549	69.0
95.04958	3.1
95.06879	2.3
96.04466	1.2
98.21168	1.0
98.97518	0.4
100.02471	0.4
105.06979	0.6
106.06535	19.6
107.06887	0.6
108.03743	0.7
108.04455	9.6
109.02866	0.6
109.05259	0.4
109.07652	0.5
110.08391	1.1
119.01831	0.3
119.04934	0.5
122.03148	1.1
122.06008	38.0
123.04433	0.5
123.06364	1.5
123.08021	0.7
123.09155	0.7
127.86644	0.4
133.06508	0.3
148.03905	1.1
150.02901	3.5
150.05475	100.0
150.10158	1.8
151.03897	0.6
151.05838	4.5
151.07092	0.4
151.07574	0.5
151.11137	0.3
156.04984	0.4
168.06544	14.5
169.06873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02373	0.4
51.19712	0.4
53.03715	0.4
53.03947	4.5
55.01865	2.5
56.05033	1.1
56.96558	12.5
57.03429	9.7
57.49870	0.3
58.99853	1.3
59.04988	0.7
59.52170	0.5
59.99929	0.4
60.95850	0.7
61.01147	0.4
61.02922	0.8
65.03928	5.5
65.52183	0.8
66.04288	0.3
66.52921	0.3
67.05495	34.4
68.02650	2.4
68.05038	0.6
68.05820	0.6
68.98277	0.7
68.99781	3.2
69.01921	0.4
69.03071	0.5
69.03415	3.2
70.95296	0.9
70.98113	4.6
71.01335	1.2
71.04987	4.4
71.95235	0.5
72.52968	0.6
73.02906	3.4
74.03673	0.4
74.97596	0.5
75.04469	0.6
77.00871	0.8
77.03938	0.8
78.52939	1.9
79.05476	5.1
79.51912	1.6
80.04999	1.1
81.03404	12.2
81.52454	0.4
82.01431	3.6
82.03734	0.7
82.99845	0.5
83.04972	0.5
84.52962	0.9
84.99249	0.5
85.02888	4.2
85.51895	1.0
85.53706	1.8
86.03667	3.7
86.52678	1.3
86.99312	0.9
87.04452	1.1
87.53477	1.0
88.02679	0.9
88.52387	0.4
88.99140	1.9
89.00853	0.4
90.52940	3.3
91.00535	0.4
91.03021	0.7
91.53745	0.5
92.01263	0.4
92.52704	0.4
93.01904	0.9
93.05775	1.6
93.53461	2.2
94.06552	87.5
95.03451	0.8
95.04971	2.9
95.06884	2.1
96.04468	2.2
97.02321	0.3
97.02835	0.4
98.01320	0.4
98.97584	2.5
99.04452	1.6
99.53447	5.1
100.00092	2.9
100.01811	0.7
100.02472	13.9
100.03500	0.6
100.05235	2.2
101.00853	3.6
101.02543	1.4
101.99780	0.5
102.02303	0.8
103.01341	0.6
103.02415	0.6
104.02244	0.4
104.52663	2.3
105.00333	1.2
105.02724	0.6
105.53450	0.7
106.01024	1.5
106.06538	21.7
107.01848	0.4
107.06847	0.7
108.04474	2.3
108.53940	0.6
109.01325	0.5
109.02846	4.7
109.05175	0.9
110.01234	0.5
110.03172	0.5
110.08404	0.5
111.00236	1.2
113.00862	1.4
113.53187	3.5
114.03286	0.8
114.04028	1.1
114.52201	0.4
115.01599	0.5
115.02396	3.7
116.98611	1.2
118.01100	5.5
118.01881	1.1
118.03500	7.7
118.51392	1.2
119.01103	0.5
119.01900	7.9
119.02647	0.6
119.03574	0.8
120.00775	1.0
120.01987	0.5
120.53951	1.8
121.01605	0.7
121.03432	0.3
122.06013	45.3
122.53713	2.2
123.01644	1.7
123.03929	0.4
123.06389	1.1
123.09135	0.5
124.02425	1.0
125.02620	0.7
125.03983	0.6
126.04037	0.7
127.01520	3.5
127.02357	0.6
127.03991	0.4
127.51794	0.6
128.02197	0.8
128.98555	0.8
129.01836	3.3
129.54456	1.5
130.04604	0.4
131.01886	5.4
132.05028	0.8
133.03477	3.7
133.05045	2.4
134.99564	0.3
136.02116	0.8
137.02917	1.2
138.03976	0.4
138.55032	0.5
141.02689	9.8
142.03569	4.0
143.03619	0.7
144.05052	0.5
144.99808	0.9
145.03470	5.6
146.99547	0.7
148.02074	0.4
148.03911	2.0
149.03017	0.8
150.05482	100.0
150.07616	13.6
150.10245	1.0
151.04787	0.4
151.05875	3.7
154.03476	3.0
155.03699	0.7
156.05019	1.6
157.03467	1.8
158.03578	0.5
159.03795	0.8
161.02925	0.8
163.04475	0.8
168.05151	0.7
168.06529	14.3
169.06897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03942	4.0
54.40424	0.7
55.01854	2.9
55.05499	6.1
55.94385	0.8
65.03932	59.9
66.04260	2.0
67.05152	1.2
67.05493	18.6
68.99765	0.9
69.07055	11.5
69.38921	6.3
69.39346	1.8
77.03913	0.9
79.05486	30.7
80.02600	1.0
80.05001	3.0
81.03404	1.4
81.07046	48.6
82.07363	2.1
83.08598	2.1
89.03922	1.6
91.05465	18.5
93.03395	14.1
93.07032	47.5
94.07381	1.7
95.04948	5.5
95.08598	7.9
98.03655	2.1
103.05437	2.7
105.07018	5.6
107.04941	4.4
107.08578	37.7
108.04449	3.1
109.06519	2.2
111.04429	13.2
117.03320	0.9
119.08550	1.7
121.02847	58.1
121.03957	16.1
121.06467	4.0
121.10133	12.2
122.03187	3.9
124.05211	0.9
126.05446	0.9
131.04950	1.3
149.02325	100.0
149.05942	4.6
149.09608	5.9
149.13246	21.7
150.02681	6.1
150.05464	3.8
150.09039	1.6
150.13605	1.5
162.76797	0.8
167.03423	2.0
167.04683	0.8
168.39864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03923	3.2
55.01848	1.7
55.05507	6.9
55.82653	0.7
60.04349	0.7
65.03931	59.9
65.86359	0.7
66.04258	2.4
67.05500	4.2
69.07056	6.7
69.50996	6.7
69.59242	0.7
74.74241	0.7
74.98493	0.8
77.03914	0.9
79.05021	1.5
79.05479	25.1
80.04990	2.0
80.05788	1.0
81.07052	13.8
89.03893	4.0
91.04927	1.1
91.05467	15.9
93.03394	14.6
93.07030	49.2
94.03722	0.8
94.07355	1.6
95.04956	6.4
95.08607	3.8
98.03650	3.2
98.21465	1.5
103.05429	1.9
105.04471	1.3
105.07007	7.0
107.04939	2.1
107.08576	33.2
108.04466	2.7
108.08908	1.6
109.06513	1.4
111.04430	10.7
117.03396	1.1
119.08548	1.1
121.02843	62.2
121.03952	14.3
121.06467	5.2
121.10115	10.5
122.03131	3.8
122.04227	0.8
122.06020	1.3
122.07049	1.1
131.04875	1.0
131.08543	1.2
149.02318	100.0
149.05931	5.2
149.09570	3.9
149.13225	10.5
149.59315	0.8
150.02655	8.3
150.05505	4.2
150.09059	1.1
150.13588	1.0
152.38821	0.8
155.18652	0.7
167.03389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03926	1.5
54.02501	0.6
54.94445	0.7
55.05501	7.8
61.76372	0.7
65.03936	3.6
67.05496	2.0
69.07046	2.3
71.18080	0.8
71.18407	1.3
79.05486	6.6
81.07037	1.5
82.06550	1.5
83.06891	5.5
84.04487	2.1
87.35447	0.6
91.05468	52.2
91.64455	0.7
92.05800	1.9
92.09972	0.6
93.07024	3.0
93.63470	0.6
95.04947	2.1
100.07594	2.4
101.07339	0.8
101.07934	10.1
103.05437	4.6
104.06236	1.1
105.07015	55.2
106.06542	0.9
106.07257	1.4
107.08593	7.7
115.05437	2.3
116.06229	3.9
117.07007	17.8
117.44291	0.8
119.04931	20.0
119.08563	100.0
120.05256	1.7
120.08909	5.6
121.10162	1.5
128.06232	0.8
129.06985	2.2
130.07753	2.0
131.08543	3.5
132.09337	8.0
141.80809	0.7
143.08549	0.7
145.10107	11.2
147.04398	11.8
147.05489	1.4
147.08366	3.7
147.11665	40.8
148.03827	0.9
148.07523	0.9
148.12009	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	149.0595
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01586	1.1
51.02364	1.5
51.68423	0.7
53.03933	5.7
55.01865	8.8
55.05494	3.6
57.72593	0.9
62.86036	0.7
63.02335	1.9
63.76793	0.7
65.03933	59.6
66.04258	1.6
67.05482	1.9
68.99783	1.0
69.03414	3.0
69.07024	2.1
69.52673	7.6
78.04704	9.9
79.05039	1.2
79.05485	19.9
80.05006	4.1
81.03413	1.9
81.07036	3.3
89.03908	56.0
90.04246	2.1
91.05470	53.5
92.05792	2.2
93.03391	13.1
93.07032	29.4
94.03700	1.0
94.18028	0.8
94.33434	1.0
95.04955	8.8
95.08629	1.2
98.03642	2.5
103.05454	12.7
105.03358	2.4
105.04517	2.3
105.07014	33.7
106.04160	6.6
106.07851	2.1
107.04935	3.9
107.08578	11.5
108.04459	7.4
108.07999	0.9
109.06520	4.3
109.07613	2.1
110.08403	2.2
110.95095	0.8
111.04428	8.5
115.05466	4.9
116.06224	18.4
117.03360	20.4
119.08572	6.9
121.02847	64.4
121.03957	14.0
121.06489	23.1
121.10124	28.0
122.03191	3.1
122.07085	1.1
123.08060	3.7
123.09006	0.9
124.05173	3.2
128.06165	1.0
129.06982	5.8
131.04919	2.6
131.08548	18.0
133.06490	2.5
133.07593	2.5
134.03618	11.2
134.07274	2.7
135.04459	4.6
147.08017	2.9
149.02324	100.0
149.05956	33.7
149.08440	1.7
149.09598	46.5
149.13292	2.7
150.02672	5.8
150.03662	0.9
150.05417	6.3
150.10139	3.6
167.03401	1.7
169.03381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02357	1.3
52.65347	0.8
53.03932	6.8
55.01870	5.0
55.05497	2.6
63.02353	1.8
65.03929	54.8
66.04242	2.5
67.05492	1.3
69.03416	3.7
69.07053	1.7
70.52861	2.2
70.53246	1.7
77.03891	1.3
78.04686	7.0
79.05479	20.8
80.04995	3.5
81.07024	3.3
89.03903	50.0
90.04208	1.9
91.05463	57.2
92.05807	2.3
92.51799	1.1
93.03384	13.4
93.07033	30.9
95.04967	9.5
98.03640	3.0
103.05459	12.7
105.03397	1.4
105.04498	2.2
105.07015	38.0
106.04159	5.8
106.07802	3.5
107.04931	2.9
107.08595	11.4
108.04464	6.2
109.06487	4.2
109.07671	1.4
110.08418	2.2
111.04421	11.0
115.05457	6.5
116.06226	20.4
117.03355	22.0
118.03690	1.5
119.04959	1.3
119.08567	6.7
121.02843	56.9
121.03959	14.2
121.06491	19.9
121.10128	32.2
122.03197	2.2
122.07089	2.0
122.10479	1.7
123.08063	6.8
123.08853	1.1
124.05197	1.9
128.06190	1.3
129.06979	6.2
131.04910	2.9
131.08553	23.2
133.06497	1.7
133.07581	2.9
134.03593	11.2
134.07277	2.4
135.04355	3.2
143.85909	0.9
147.08055	2.7
149.02321	100.0
149.05957	27.3
149.09598	51.8
149.13234	2.5
150.02669	6.1
150.05415	7.5
150.06500	1.1
150.10072	4.0
167.03374	1.8
169.03450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01850	0.6
57.03432	0.6
62.92990	0.5
63.02361	4.9
67.04210	0.4
69.03417	0.8
70.38415	0.4
71.03104	0.6
71.03445	0.8
71.04982	3.8
72.08151	0.7
79.05476	1.0
81.03404	1.4
82.06569	18.3
85.02894	1.6
86.98179	0.5
87.31757	0.4
89.03904	100.0
90.04243	3.5
91.05467	1.3
94.31530	0.4
97.02907	0.8
99.04441	8.8
100.07602	41.8
105.07016	4.3
115.05449	1.2
117.03362	51.0
117.07022	2.4
118.03732	1.6
119.04977	0.4
121.96645	1.4
127.03903	1.2
128.07100	1.2
129.04485	0.8
129.06979	0.5
130.06502	0.9
130.07762	1.9
135.04395	1.0
145.02815	1.4
145.04961	0.8
145.06479	1.0
145.10118	4.7
146.08096	9.3
158.05940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.70797	0.8
55.01606	1.2
55.01866	14.1
57.03423	2.3
62.92977	3.1
69.03416	1.4
70.64919	2.1
71.01350	21.8
71.04984	5.0
72.08157	1.6
73.02906	1.0
74.95751	0.8
75.04474	3.4
81.03404	1.6
82.06573	44.9
85.02893	11.4
91.05476	1.8
99.04446	11.9
100.07610	100.0
101.02371	44.6
101.76033	0.8
105.07014	8.9
115.05474	1.8
117.07021	6.0
121.96643	4.1
127.03887	3.0
128.06207	1.5
128.07089	3.2
129.07010	2.1
130.07774	5.3
145.04933	1.7
145.10103	10.9
146.08112	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	146.0811
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
53.03915	0.1
55.05507	2.7
56.05027	0.1
56.26130	0.1
56.31469	0.1
56.96567	0.4
57.03424	0.2
57.50489	0.1
59.04997	0.7
60.05634	0.2
65.03933	0.2
67.04236	1.1
69.03420	0.5
69.10101	0.1
71.14875	0.2
72.08143	1.5
75.88969	0.1
80.05009	0.2
80.82748	0.1
81.03423	0.1
82.06572	47.7
83.04976	1.0
83.06908	1.3
83.07358	0.1
84.04498	0.3
84.08134	1.9
84.08633	0.1
86.06054	0.9
87.04465	0.9
98.97556	0.1
100.07607	100.0
101.06004	1.9
101.07338	0.1
101.07929	2.7
111.05537	0.1
128.07074	1.8
128.10674	0.5
130.05019	0.1
146.08107	21.3
146.11743	1.0
147.08493	0.6
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	Hormodirene
Peak:m/z	Relative Intensity
50.01591	1.0
51.02357	0.8
53.03931	3.2
55.01861	2.4
55.05507	6.6
59.35061	0.8
65.03933	51.7
65.06498	1.0
66.04263	2.6
67.05497	17.3
68.99765	1.1
69.07066	10.0
69.29823	8.9
73.68285	0.7
78.25179	0.7
79.05485	34.5
80.05006	1.1
80.05814	1.0
81.07048	52.1
82.07391	1.7
83.08595	2.0
89.03892	1.5
91.04944	1.3
91.05468	16.4
93.03397	12.5
93.07032	50.0
94.07372	1.4
95.04951	3.8
95.08599	9.6
98.03645	2.6
103.05454	3.1
105.04518	1.1
105.07018	5.4
107.04956	1.2
107.08585	39.1
108.04430	3.1
108.08892	1.5
108.47239	0.9
109.06478	0.9
111.04432	8.9
121.02850	52.7
121.03960	13.7
121.06464	3.9
121.10152	11.8
122.03194	2.0
131.08543	1.3
139.60440	0.8
145.47168	0.8
149.02327	100.0
149.05965	3.4
149.09605	4.4
149.13248	22.9
150.02689	5.6
150.03741	1.4
150.05493	3.3
150.13577	1.7
164.21497	1.1
167.03368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78748	0.4
65.03931	11.4
69.60754	1.9
69.61173	1.8
82.06574	0.5
83.06894	0.9
89.94543	0.5
91.05464	100.0
92.05783	4.3
95.04948	0.7
101.07923	1.6
105.06996	1.1
110.71880	0.5
119.04922	86.4
119.08555	2.4
120.05258	4.8
122.81380	0.4
127.57354	0.5
130.42787	0.5
147.04387	27.6
147.11661	0.8
148.04749	1.5
155.10567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05487	0.6
65.03929	10.3
70.99063	0.7
70.99431	1.0
79.35698	0.5
83.06877	0.5
91.05466	100.0
92.05795	3.7
95.04955	0.6
96.79150	0.4
101.07960	0.8
103.05408	0.6
105.07009	3.7
107.08551	0.5
117.07037	0.9
119.04923	92.3
119.08558	6.7
120.05254	3.5
132.09315	0.7
145.10098	0.5
147.04387	32.7
147.08125	0.6
147.11644	2.1
148.04710	1.8
148.33653	0.4
161.85417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.80807	0.5
53.76798	0.5
55.05487	1.3
65.03930	13.2
69.57022	3.2
69.57428	1.0
70.51183	0.5
79.05479	0.6
83.06886	1.0
84.04502	0.7
91.05466	100.0
92.05808	4.3
93.07069	0.6
94.90256	0.4
95.04944	0.6
101.07930	1.9
103.05471	0.6
105.07013	6.0
112.77042	0.5
117.06998	1.9
119.04923	91.6
119.08558	7.4
120.05263	3.6
145.10100	0.8
147.04384	33.2
147.08202	0.6
147.11682	3.3
148.04701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05525	0.5
56.86078	0.4
65.03931	10.5
69.28339	4.5
69.28739	0.5
79.05491	0.4
82.06583	1.0
83.06415	0.6
83.06892	4.0
84.04487	0.6
91.05467	100.0
92.05812	3.5
95.04979	1.0
100.07600	1.7
101.07331	0.8
101.07935	6.8
103.05424	0.5
105.07018	5.8
107.08606	0.5
117.07043	0.6
119.04926	85.6
119.08566	8.7
120.05238	3.8
138.14017	0.4
145.10124	0.8
147.04387	32.5
147.08240	1.9
147.11650	3.0
148.04823	2.4
148.07626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.29099	0.3
65.03933	10.2
66.04255	0.5
68.86003	0.4
71.60969	0.5
83.06886	0.6
91.05469	97.0
92.05808	3.9
95.04988	0.5
96.03687	0.3
101.07944	1.3
119.04928	100.0
120.05261	4.2
147.04391	38.4
148.04771	1.8
153.96199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05507	0.5
55.97111	0.3
58.83294	0.4
65.03931	10.6
67.04245	0.3
67.05502	0.3
77.96954	0.4
79.05464	0.8
83.06905	1.7
89.03895	0.7
91.05466	100.0
92.05795	4.1
93.07043	0.5
95.04978	0.5
95.43865	0.3
100.07603	1.2
101.07935	4.1
103.05430	0.6
105.07022	3.5
117.06964	1.1
117.75764	0.3
119.04924	89.2
119.08561	5.6
120.05261	4.1
129.07013	0.4
138.23276	0.3
145.10103	0.4
147.04385	32.2
147.08289	1.3
147.11659	2.6
148.04707	1.5
153.16991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0809
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
52.29103	0.2
66.25466	0.2
67.04230	1.1
67.30923	0.2
69.03402	0.3
71.22408	0.5
72.08134	1.1
80.05041	0.3
82.06565	50.7
83.06890	0.9
83.07339	0.3
100.07600	100.0
101.07930	1.8
106.22787	0.2
117.97991	0.3
121.13686	0.2
128.07056	2.5
146.08098	20.4
147.08458	0.5
153.80469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07959	0.2
50.77212	0.2
53.03931	0.5
63.63533	0.2
65.03928	1.3
66.70872	0.2
67.05493	1.1
69.88296	0.8
69.88696	0.7
78.03428	0.5
88.78553	0.2
92.04985	3.4
93.05777	0.7
94.06553	17.5
95.06915	0.3
96.04478	2.9
98.21391	0.3
99.53872	0.2
110.06023	14.1
138.05479	100.0
139.05835	4.0
140.03987	0.2
150.02110	0.2
154.04968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78120	0.5
54.49765	0.5
56.96558	33.9
66.51473	0.5
70.09685	1.7
70.10102	1.0
71.95258	6.0
81.03419	0.5
90.22936	0.5
98.97570	100.0
99.97900	1.3
110.97639	0.5
116.98605	74.3
117.78923	0.5
117.98962	0.8
134.99640	33.5
135.99973	0.6
140.00148	1.2
143.27092	0.5
153.00694	4.2
156.97539	0.5
158.01242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
56.28861	1.3
56.96540	1.9
57.03449	1.9
69.03411	2.2
70.99831	1.4
71.27938	3.2
74.66619	1.2
76.84571	1.3
81.04527	1.5
87.11414	1.3
97.02845	1.7
100.02467	3.5
101.00854	22.5
101.02522	1.7
102.02137	1.6
113.62762	1.3
118.01176	2.2
118.03516	5.4
119.01904	100.0
120.02020	2.4
124.02373	1.8
124.86881	1.6
125.02361	1.6
133.05225	1.5
136.04514	3.1
137.02933	34.5
142.03482	13.7
143.03369	16.8
160.04565	6.8
161.02921	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	142.0861
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.03939	1.5
55.01862	3.3
55.05495	2.0
56.05029	9.4
56.96556	1.3
57.03426	1.3
57.04544	0.9
58.02958	0.9
58.06594	2.6
59.04978	1.0
59.06116	8.1
60.04517	11.6
67.02983	0.8
67.05486	1.0
68.05025	4.5
68.99783	0.6
69.03423	10.9
69.04556	0.7
69.07054	0.7
70.02940	0.5
70.06585	2.4
70.97361	0.7
70.97712	0.8
71.01324	0.7
71.04983	42.6
71.06086	1.1
72.04504	16.2
72.05314	0.7
72.06899	1.5
72.08138	1.5
73.02888	0.5
73.46289	0.5
74.06097	2.4
75.05593	2.0
79.05481	19.9
80.05015	1.5
80.05795	0.8
81.03401	0.8
81.04523	1.8
81.07030	0.7
82.02926	4.2
82.03725	0.7
82.06556	1.7
83.01329	1.8
83.04989	0.6
83.06097	9.4
84.04497	6.3
84.08123	1.1
85.02892	0.8
85.07652	3.6
86.06062	2.7
86.08446	2.9
93.50932	0.5
94.06562	1.4
95.04962	1.4
95.06071	1.2
95.07351	0.7
96.04482	2.7
96.05210	0.8
96.08102	6.0
97.02881	11.1
97.03943	0.5
97.06521	1.7
97.07653	4.4
98.06044	1.9
99.05586	2.4
100.03970	0.6
100.07619	1.2
100.08767	0.9
101.00826	1.0
101.07137	4.6
101.95041	1.1
102.05522	0.9
106.06538	49.0
107.06091	1.0
107.06874	1.7
111.00777	0.5
112.08723	2.0
113.07087	0.7
114.02646	0.6
114.09116	0.7
115.03916	0.7
115.08688	1.1
118.96743	1.2
119.01890	4.8
119.96028	0.7
124.07574	100.0
125.02347	12.9
125.06062	1.0
125.07085	4.1
125.07923	4.2
126.05463	0.6
128.01047	2.2
128.06187	1.4
132.82584	0.6
137.02943	1.8
137.97112	0.7
142.02211	0.6
142.03387	0.9
142.05000	1.6
142.08609	18.3
142.09744	12.7
143.03377	90.6
143.08083	1.0
143.10062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17676	3.1
71.09740	7.7
83.38935	3.5
95.59971	3.2
101.00877	17.5
107.92654	3.1
116.97104	3.6
118.03499	10.5
119.01096	6.6
119.01904	100.0
123.81807	3.9
137.02954	33.5
142.03459	18.3
160.04524	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	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.07959	0.2
50.77212	0.2
53.03931	0.5
63.63533	0.2
65.03928	1.3
66.70872	0.2
67.05493	1.1
69.88296	0.8
69.88696	0.7
78.03428	0.5
88.78553	0.2
92.04985	3.4
93.05777	0.7
94.06553	17.5
95.06915	0.3
96.04478	2.9
98.21391	0.3
99.53872	0.2
110.06023	14.1
138.05479	100.0
139.05835	4.0
140.03987	0.2
150.02110	0.2
154.04968	0.6
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
51.02360	1.0
53.03942	6.3
54.03467	2.0
55.01865	5.2
55.05499	8.3
55.53971	0.8
56.03768	1.2
56.05025	1.2
57.07066	2.0
57.37576	0.9
65.03933	7.1
66.04713	8.5
66.96861	0.7
67.05498	59.3
68.05037	1.1
68.05815	1.8
68.99747	1.0
69.03410	2.9
69.04531	1.8
69.07037	3.2
69.73296	2.4
69.73715	3.9
70.02943	1.1
72.04489	1.7
77.03919	2.1
79.05479	17.6
80.05002	1.3
80.05790	0.9
81.03412	8.0
81.04535	7.8
81.07043	30.7
82.06575	2.1
83.04967	1.9
83.06094	3.1
91.05469	36.8
92.04977	2.3
92.05804	1.9
93.05778	1.0
93.07023	11.1
94.04175	51.6
94.06544	7.8
94.07811	2.0
94.29195	0.9
95.04967	20.3
95.06039	1.9
95.08599	20.0
96.04478	2.5
96.05622	4.0
96.06831	1.0
97.04009	1.0
97.06387	9.0
97.07650	1.8
98.04777	1.9
98.21448	1.0
103.05447	1.6
105.04480	1.5
105.06998	1.0
107.04942	25.0
107.08575	5.1
108.05707	2.7
109.06505	40.9
109.07614	1.7
109.10142	38.4
110.06048	7.9
110.07158	8.2
110.10458	1.3
111.05553	2.8
115.05538	1.0
117.06966	2.3
119.04932	2.8
119.06013	1.5
119.08573	14.7
119.16812	0.9
120.04445	2.2
120.05585	1.6
121.06494	7.6
121.07270	1.1
121.07571	0.9
122.01749	0.9
122.03636	63.3
122.07270	76.1
123.03955	2.6
123.07604	2.4
127.03905	1.3
128.03650	0.9
135.08055	2.5
137.02403	14.4
137.05952	100.0
137.08127	5.4
137.09595	80.9
137.10492	1.9
137.13251	1.5
138.01718	1.2
138.05475	41.6
138.06439	7.1
138.09045	1.9
138.10060	5.4
156.08885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.13463	1.1
53.03945	9.6
54.33195	1.2
55.01840	5.2
55.05505	15.6
55.78866	1.0
57.03430	13.3
57.07057	1.5
59.04964	1.2
65.03935	8.4
66.04710	2.9
67.01809	1.1
67.05494	100.0
68.05797	1.1
68.99764	1.9
69.03419	18.4
69.07056	14.3
70.94386	3.2
71.04958	4.4
79.05482	54.7
80.05794	1.6
81.02966	1.3
81.03406	22.0
81.07044	52.7
83.04967	1.8
91.05469	46.0
92.05752	1.5
93.06459	1.5
93.07032	25.3
94.04179	12.6
94.06503	3.7
95.04959	30.8
95.08595	42.6
96.04440	2.9
96.08904	1.7
97.04022	1.3
97.06374	1.3
105.04470	3.3
107.04922	6.6
107.08572	7.9
108.05692	3.1
109.02806	2.2
109.06504	22.6
109.09431	1.8
109.10145	25.3
110.06049	5.4
110.06637	1.0
110.10361	1.1
117.06979	2.9
119.04917	2.9
119.08565	13.4
120.04386	3.4
120.08801	1.1
121.02837	1.2
121.06526	1.6
122.03639	13.4
122.07252	7.4
137.02448	15.4
137.05902	41.7
137.07962	2.3
137.09595	38.0
137.13162	2.1
138.01645	3.5
138.05487	17.7
138.06458	2.2
138.09073	3.4
147.23610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	5.0
54.03456	2.3
55.01861	2.0
55.05505	21.6
56.05011	1.2
57.07058	1.8
64.04108	0.9
65.03939	5.1
66.04713	6.7
67.05495	63.1
68.05021	1.3
69.03415	8.9
69.04515	1.2
69.07062	5.1
71.61996	1.4
72.04493	1.1
77.03917	1.4
79.05480	13.3
80.13161	1.0
81.03387	3.0
81.04530	5.5
81.07044	33.5
82.06557	1.5
83.06139	1.0
83.18734	1.0
91.05471	16.9
93.07033	11.0
94.04176	53.2
94.06544	4.1
95.04510	1.3
95.04976	14.4
95.08591	36.9
96.04475	2.9
96.05676	1.7
96.08118	1.5
96.08913	1.4
97.06379	6.3
97.07661	1.1
101.40652	1.0
105.03337	1.1
105.04510	1.1
107.04948	4.2
107.08569	3.2
109.06496	8.4
109.10139	23.0
110.06005	2.2
110.07138	4.9
110.10512	1.5
111.05556	1.3
111.08039	1.5
119.04897	1.9
119.08556	2.9
121.02820	1.0
121.06549	1.3
122.03629	68.6
122.07269	8.1
123.03957	2.6
136.79684	1.0
137.02400	4.7
137.05951	100.0
137.09602	26.7
137.13228	1.3
138.05461	25.8
138.06387	4.0
138.09061	1.4
138.10069	1.5
144.88901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02386	1.3
52.03372	1.1
53.03936	7.7
54.03453	1.2
55.01853	4.4
55.05499	9.8
56.21463	1.1
64.67256	1.1
65.03922	7.8
66.04715	8.6
67.05493	80.0
68.05007	1.0
68.05827	1.2
69.03409	4.3
69.04549	2.0
69.07043	4.4
70.42382	1.0
70.95636	2.6
72.69607	1.0
77.03902	1.5
79.05476	17.6
81.03396	8.9
81.04530	4.0
81.07044	32.9
82.06544	2.0
83.04969	2.7
83.06074	1.6
91.05466	38.0
92.04962	1.3
93.07015	10.0
94.04174	62.8
94.06536	4.0
94.07800	1.7
95.04971	18.0
95.06047	1.5
95.08095	1.6
95.08598	17.3
96.04507	1.9
96.05635	2.4
97.06409	6.6
103.05443	2.1
105.03359	1.1
107.04940	25.3
107.08582	6.1
109.05743	2.0
109.06501	43.2
109.10139	48.3
110.06017	5.3
110.07128	4.1
110.10446	2.8
111.05534	2.2
117.06978	3.6
119.05047	1.6
119.05998	2.2
119.08562	18.1
121.02895	1.3
121.06473	9.1
122.03629	72.7
122.07269	84.7
123.03939	3.8
123.07610	2.4
135.08067	2.6
137.02415	10.2
137.05949	100.0
137.09590	99.4
138.01811	2.0
138.05473	29.7
138.06407	5.7
138.09024	2.2
138.09964	4.8
155.05931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02371	0.7
53.03940	4.6
54.04266	0.6
55.01872	2.1
55.05500	2.3
56.05022	0.5
57.07068	0.9
65.03932	3.9
66.04715	6.5
67.05495	27.9
68.05026	1.0
68.05841	0.6
68.99753	0.5
69.03421	1.4
69.04549	1.4
69.07070	2.1
69.88134	2.9
72.04523	0.6
73.75771	0.5
77.03909	0.8
79.05482	12.8
79.05930	0.8
81.03399	4.2
81.04530	1.3
81.07044	17.6
82.06558	0.9
83.06078	0.5
86.49191	0.5
91.05471	19.5
92.05007	0.6
92.05824	1.0
93.07039	7.3
94.04174	49.8
94.06548	3.2
94.07827	0.8
95.04501	0.8
95.04974	9.1
95.05991	0.5
95.08597	13.2
96.04476	1.0
96.05621	0.6
97.06395	4.3
97.07667	0.5
98.04777	1.1
98.20663	0.7
103.05450	1.1
104.06241	1.0
105.03397	1.1
105.04485	1.2
107.04935	20.3
107.08585	1.4
109.02851	0.5
109.06499	6.2
109.10141	25.6
110.06042	3.6
110.07172	2.9
110.10479	0.5
111.05532	0.7
117.06996	1.9
119.04919	1.7
119.08562	14.4
120.04453	1.2
120.05499	0.9
120.08892	0.7
121.02856	0.6
121.06500	7.5
121.07497	0.7
122.02700	1.0
122.03630	66.7
122.07269	72.3
123.03954	2.3
123.07613	3.2
135.04311	0.7
135.08026	3.0
137.02461	6.9
137.05954	100.0
137.09593	63.9
137.13173	1.1
138.01701	1.8
138.05458	16.2
138.06381	4.7
138.09073	1.6
138.09979	3.7
147.44696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.6
53.03944	1.5
55.01862	0.7
65.03931	2.1
66.04354	0.4
66.04713	7.5
66.26124	0.2
67.05494	0.7
69.03416	0.5
70.32917	0.9
77.03919	0.9
78.86246	0.2
79.05486	4.6
81.03402	0.4
81.07041	2.4
91.05472	4.4
93.03358	0.5
94.04174	50.7
95.04438	1.4
95.05016	1.8
95.08585	0.5
105.03358	0.7
107.04939	1.8
109.06490	1.1
110.06019	0.3
110.51405	0.2
111.04430	1.3
119.05003	0.2
122.03630	71.3
123.03972	2.4
127.61976	0.2
135.04402	0.9
137.05956	100.0
138.05446	0.9
138.06329	5.2
155.54274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.9
52.25607	0.3
53.03714	0.6
53.03941	6.9
55.01855	1.0
55.05490	1.4
57.03389	0.4
57.07067	0.4
63.69318	0.4
65.03931	3.5
66.04716	7.5
67.05495	7.7
68.99775	0.6
69.03410	0.7
69.04521	0.5
69.07047	1.1
70.25320	0.4
77.03904	1.2
79.05486	29.2
80.05798	1.2
81.03413	2.3
81.04539	0.4
81.07043	17.7
81.15257	0.4
91.05475	5.7
93.07021	2.1
94.04176	29.6
94.06544	1.8
95.04514	0.8
95.04967	9.3
95.08598	5.6
96.04480	0.5
97.06384	1.3
105.03367	1.5
105.04504	1.1
107.04928	2.6
109.06507	45.4
109.10155	2.5
110.06011	1.8
110.07037	1.7
114.83917	0.4
119.04896	1.0
119.08573	1.5
120.04481	0.7
120.60853	0.4
121.06499	0.9
122.03634	22.8
122.07289	4.7
123.03981	1.1
137.02443	3.6
137.05956	100.0
137.09578	8.0
138.01755	0.6
138.05460	8.1
138.06349	4.3
138.09088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02394	1.0
52.98359	0.4
53.03943	8.7
54.03785	0.4
55.01864	1.0
55.05504	0.7
57.38990	0.4
64.06355	0.4
65.03934	3.3
66.04717	6.1
67.05495	4.4
68.99795	1.0
69.07037	0.6
71.58403	0.7
76.39902	0.4
77.03930	1.4
78.04706	0.5
79.05486	37.4
80.05833	1.2
80.29510	0.4
81.03419	1.7
81.07047	18.9
83.04920	0.4
91.05469	4.6
93.07040	1.3
94.04178	23.8
94.06563	1.2
95.04434	0.7
95.04968	10.2
95.08587	4.2
96.04482	0.7
97.06416	0.5
105.03378	2.2
105.04504	2.2
107.04928	2.4
109.06506	56.9
109.10132	1.6
110.06036	1.0
110.06895	1.6
118.96992	0.4
119.04918	0.5
121.02791	0.6
122.03629	9.3
122.07253	2.1
137.02496	2.7
137.05957	100.0
137.09541	2.8
137.13242	0.5
138.01790	0.6
138.05458	4.8
138.06337	4.1
138.09122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	1.9
55.01875	1.4
55.05505	1.1
61.24654	0.4
63.04922	0.4
65.03650	0.6
65.03930	3.1
66.04715	6.5
67.05494	4.6
69.03427	0.5
69.07066	0.6
69.50127	1.0
69.50543	3.1
77.03928	1.0
79.05482	7.6
81.03425	1.4
81.07046	7.1
82.06585	0.6
91.05476	7.4
92.04999	0.5
93.03375	0.5
93.07039	1.4
94.04175	52.3
94.06554	1.2
95.04446	0.9
95.04572	0.6
95.04980	4.0
95.08591	6.6
96.04475	0.7
98.21511	1.0
105.03349	0.8
105.04510	0.8
107.04939	3.3
109.06514	3.9
109.10123	1.6
110.06021	1.6
119.04925	0.5
119.08551	0.9
120.04478	0.9
122.03633	67.7
122.07283	1.4
123.03931	2.6
137.02499	4.7
137.05954	100.0
137.09569	3.7
138.01721	1.4
138.05423	3.2
138.06375	4.2
138.09097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	1.1
53.03942	10.1
53.47267	0.4
53.58081	0.5
55.01860	1.4
55.05497	1.3
56.96540	0.6
57.07048	0.9
62.21522	0.6
65.03934	3.4
66.04713	7.8
67.05495	8.2
68.05827	0.6
68.99778	0.6
69.03421	0.8
69.07039	1.0
71.15440	1.3
76.50474	0.6
77.03918	1.8
79.05485	40.5
80.05802	1.1
81.03400	2.7
81.07047	25.2
82.06575	0.8
82.07382	0.7
91.05470	7.7
93.07033	3.2
94.04179	21.9
94.06533	1.2
95.04964	14.2
95.08596	9.6
96.04449	0.8
97.06387	1.1
105.03373	2.3
105.04482	2.2
105.05112	0.6
107.04953	4.1
109.06507	58.8
109.10137	1.8
110.06019	2.1
110.06848	2.5
119.04930	1.2
119.08576	1.1
120.04496	0.6
122.03644	6.9
122.07281	2.6
137.02461	6.6
137.05956	100.0
137.09557	5.0
137.13260	0.8
138.01704	1.0
138.05457	6.3
138.06345	4.9
138.09062	1.5
159.77136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.06895	0.5
51.02363	0.9
51.47191	0.4
53.03936	2.6
54.03469	0.6
55.01863	1.0
55.05499	0.6
57.07073	0.9
65.03929	2.6
66.04713	8.5
67.05495	5.9
69.03428	0.7
69.07064	0.6
69.81769	3.1
70.06564	0.4
72.04507	0.6
77.03932	1.4
79.05480	7.1
79.05922	0.5
80.04986	0.4
80.05831	0.4
81.03409	2.5
81.04533	1.6
81.07047	7.4
82.06546	0.8
83.06071	0.5
91.05470	6.8
92.05031	0.5
93.07034	1.5
94.04173	54.2
94.06553	1.9
95.04485	1.5
95.05016	2.9
95.08585	5.2
95.16072	0.4
96.04483	1.4
96.05600	0.6
97.06369	2.9
98.04796	0.5
105.03342	0.8
105.04460	0.7
107.04957	3.9
109.06544	3.3
109.10162	2.4
110.06023	1.6
110.07166	1.7
111.05551	0.7
111.46384	0.4
113.57436	0.4
119.04917	0.5
119.08604	0.6
120.04382	0.5
121.06477	0.6
122.03630	73.3
122.07230	2.7
123.03938	2.2
135.04396	1.1
137.02441	3.8
137.05954	100.0
137.09554	4.7
138.05455	8.3
138.06363	4.8
138.09091	0.7
138.10156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	1.0
53.03939	13.1
54.04291	0.3
54.26142	0.2
55.01864	2.3
55.05523	0.3
62.14155	0.3
65.03929	0.6
66.04710	0.6
67.05489	1.7
68.04998	0.3
70.49253	0.9
77.03925	2.1
79.05482	38.9
80.05830	1.5
81.03398	2.2
81.07047	3.1
89.35285	0.3
91.05488	1.6
93.07041	0.6
94.04165	2.1
94.06547	0.3
95.04955	24.4
95.08604	1.7
96.05312	0.9
105.04495	5.6
106.04843	0.3
107.04940	100.0
108.05265	4.4
109.06503	2.9
109.10128	0.5
110.06049	0.7
118.06522	0.3
122.03632	4.3
122.07221	0.3
123.04421	4.8
125.05975	13.0
126.06313	0.6
135.05521	5.3
137.02509	1.3
137.05951	35.9
137.09534	0.8
138.01688	0.4
138.05392	1.7
138.06389	1.8
138.09114	0.3
148.07480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.01609	1.5
50.74108	1.4
51.02369	1.9
51.53344	1.4
53.03943	12.1
54.19453	1.4
55.01863	2.8
55.05505	12.8
58.94212	1.5
65.03928	3.0
67.05492	24.2
69.03429	1.8
69.07054	7.9
74.68568	1.4
79.05482	74.0
80.04997	2.5
80.05815	2.8
81.07050	28.2
91.05470	36.7
92.05791	1.7
93.07033	87.6
94.04024	2.3
94.07328	4.0
95.04950	14.5
97.64057	1.6
98.20666	3.1
105.04490	4.4
105.07032	9.5
107.04939	8.1
107.08581	58.2
108.08888	2.7
109.01101	7.7
109.06522	2.7
115.05446	2.4
117.06966	3.6
118.06522	1.6
119.03517	7.8
120.65926	1.3
121.54634	1.4
135.04395	9.9
135.05493	3.5
135.06500	1.9
135.08073	12.2
135.10663	2.2
135.11665	40.5
136.02150	100.0
136.03891	4.6
136.05194	2.6
136.06166	60.6
136.07541	8.2
136.12027	2.4
137.04564	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	1.0
53.03940	6.6
55.01842	2.7
55.05502	10.1
59.32761	0.9
65.03918	4.0
67.05495	35.6
67.87614	0.9
68.05001	1.1
69.03413	2.2
69.07064	8.9
77.03905	1.5
79.05483	66.5
80.04996	3.8
80.05821	2.1
81.03392	1.2
81.07048	28.7
81.31702	0.8
91.05467	39.9
92.05763	0.9
92.06287	1.1
93.07032	82.7
94.04051	2.1
94.07356	2.6
95.04398	1.4
95.04958	14.6
103.88025	0.9
105.04475	3.9
105.07021	10.9
107.04936	10.5
107.08577	52.3
108.04460	2.3
108.08113	1.8
108.08908	2.3
109.01085	9.0
109.06518	4.8
115.05426	3.8
117.06994	3.8
119.03512	6.3
119.05994	1.6
119.08545	6.6
129.05385	0.9
133.10112	1.4
135.04393	7.3
135.05467	2.1
135.06494	1.7
135.06972	1.1
135.08049	15.5
135.09059	1.6
135.10648	1.6
135.11671	40.7
136.02145	100.0
136.03891	3.8
136.06166	65.2
136.07516	6.5
136.08482	1.9
136.12024	1.9
137.04549	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	137.0591
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01623	0.4
53.03951	1.4
54.03470	0.7
55.01876	1.2
55.05503	3.8
56.05027	0.5
56.56522	0.4
57.07071	0.8
57.64882	0.5
61.85050	0.5
64.71602	0.4
65.03928	2.8
65.44051	0.4
66.04716	6.4
67.05496	12.8
68.05032	1.0
69.03433	1.8
69.04539	0.9
69.07047	0.7
70.70384	0.5
70.70730	1.3
72.04526	0.5
77.03916	0.4
79.05481	8.2
81.03413	2.5
81.04545	2.8
81.07041	10.0
81.07486	0.6
82.06583	0.9
83.06123	0.7
91.05469	8.7
92.04992	0.5
93.07020	2.8
94.04174	47.8
94.06522	2.6
95.04536	0.6
95.04987	4.1
95.06059	0.7
95.08588	10.3
96.04462	1.7
96.05611	0.8
97.03976	0.5
97.06377	3.1
98.04779	0.7
98.19903	0.4
105.03383	0.8
105.04504	0.5
107.04939	3.2
107.08601	0.7
109.06498	3.3
109.10139	4.1
110.06049	2.4
110.07183	2.6
110.09689	0.7
111.05542	1.3
119.04884	0.5
119.08520	1.1
120.04458	0.6
120.05564	0.8
121.02850	0.5
122.03629	69.4
122.07263	2.0
123.03923	2.4
135.04396	0.7
137.02463	3.4
137.05951	100.0
137.09575	6.2
137.13234	1.1
138.01694	0.6
138.05458	13.9
138.06375	4.8
138.09128	1.0
138.10182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95798	0.7
53.03937	7.6
55.01851	3.0
55.05497	11.3
57.07046	0.9
65.03931	4.2
67.05495	49.1
69.03412	0.9
69.07053	11.0
71.21175	0.9
71.21515	1.5
76.85576	0.8
77.03922	1.0
79.05482	79.7
80.04984	1.0
80.05817	1.2
81.03407	0.8
81.07043	32.2
87.57720	0.9
91.05467	36.6
93.07028	100.0
94.04021	1.2
94.07352	3.3
94.07878	1.1
95.04954	12.1
105.04498	2.5
105.07012	8.7
107.04969	5.4
107.08575	55.2
108.08910	2.3
109.01104	4.7
109.06516	2.1
115.05437	1.7
117.07027	1.9
119.03529	3.1
119.06026	1.3
119.08588	1.4
133.10091	2.0
135.04466	4.0
135.05434	1.2
135.08040	10.2
135.08983	1.3
135.11674	51.8
136.02141	50.8
136.03888	2.7
136.05125	1.7
136.06158	35.3
136.07544	3.7
136.12047	3.0
137.04584	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	6.8
55.01857	2.5
55.05296	0.9
55.05502	12.1
65.03918	3.5
67.05494	46.6
68.05820	1.4
69.03403	1.7
69.07061	7.8
69.20052	0.9
70.54912	2.0
70.55306	1.8
78.04708	1.1
79.05482	75.8
80.05010	1.6
80.05791	1.6
81.07049	31.1
91.05466	31.2
92.05808	1.3
93.07031	100.0
94.04008	1.1
94.07341	3.0
95.04955	12.3
105.04498	2.5
105.07022	8.6
107.04922	5.3
107.08580	55.3
108.08881	1.6
109.01104	5.4
109.06517	1.9
115.05439	2.3
117.06976	2.0
119.03526	4.3
119.08551	2.3
119.46641	0.8
133.10156	2.0
135.04402	5.3
135.05429	1.6
135.08055	10.5
135.11673	49.3
136.02145	68.9
136.03905	3.3
136.06169	47.0
136.07538	4.0
136.12039	1.7
137.04558	3.1
153.92749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	9.5
55.01876	2.8
55.05506	8.8
65.03927	3.6
67.05498	14.8
68.05017	1.2
69.07066	6.6
79.05484	55.0
80.05003	2.2
80.05819	1.8
81.07040	17.3
85.56808	1.0
91.05465	42.1
93.07030	77.5
94.04075	1.7
94.06539	1.4
94.07337	2.5
95.04955	16.4
105.04482	3.3
105.07020	6.7
107.04950	7.8
107.08578	45.0
108.08920	1.9
109.01089	11.3
109.06508	3.4
115.05415	2.1
118.06519	1.5
119.03531	6.4
119.06026	1.3
119.08591	2.5
120.08280	0.9
120.09319	1.2
122.50695	1.0
135.04410	8.1
135.05420	1.9
135.06497	1.7
135.08046	8.7
135.09114	2.0
135.10640	1.4
135.11676	30.1
136.02144	100.0
136.03908	4.6
136.05127	2.7
136.06171	59.8
136.07539	8.8
136.08482	1.8
137.04588	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.28525	0.8
51.02351	1.2
51.04707	0.7
53.03942	6.8
55.01857	2.7
55.05507	10.2
58.26622	0.7
61.25909	0.7
61.37532	0.9
61.93499	0.9
65.03935	3.5
67.05497	38.4
68.05815	1.9
69.03402	1.8
69.07051	9.0
70.20964	1.9
70.21360	1.8
71.79511	0.8
77.03902	1.4
79.05483	68.3
80.04990	3.5
80.05807	3.1
81.03398	1.4
81.07044	26.3
82.07358	1.1
83.09784	1.0
89.03889	1.2
91.05468	36.3
92.02563	1.0
92.05800	1.8
93.07033	82.6
94.04009	2.5
94.07334	4.2
94.07884	1.1
95.04960	11.5
96.05262	1.1
100.50150	0.8
105.04489	2.7
105.07029	10.3
107.04945	9.3
107.08580	48.2
108.04482	1.4
108.08907	3.2
109.01095	9.2
109.06515	3.7
114.29367	0.8
115.05419	3.7
117.06994	3.3
118.03992	1.3
118.06540	1.9
119.03555	6.2
119.06018	2.3
119.08577	3.8
120.05692	1.1
120.09325	1.2
121.96740	0.8
124.51453	0.8
133.10146	1.4
135.04391	6.0
135.05479	2.0
135.06523	2.2
135.08037	13.9
135.10623	1.5
135.11674	41.9
136.02145	100.0
136.03897	5.2
136.05186	3.2
136.06165	65.7
136.07541	9.7
136.12006	2.3
137.04547	4.2
138.28568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.83735	1.1
53.03947	9.9
55.01858	3.0
55.05503	10.0
65.03918	3.1
67.05149	1.5
67.05497	20.3
69.07053	7.3
71.89519	1.1
77.03917	1.0
79.05479	66.6
80.04996	2.4
80.05818	1.4
81.03416	1.8
81.07052	21.5
91.05469	47.1
92.05786	1.1
93.07031	93.4
94.04049	1.9
94.06540	1.0
94.07288	2.2
94.07854	2.1
95.04951	17.2
98.21511	1.9
98.56592	1.0
105.04501	4.7
105.07009	8.2
107.04958	7.3
107.08578	50.4
108.04494	1.3
108.08091	1.2
108.08900	1.9
109.01089	10.3
109.06514	2.1
112.03953	1.2
115.05460	1.8
115.29166	1.4
117.06976	1.7
118.06526	1.5
119.03523	7.0
119.06046	1.4
119.08566	3.0
133.10167	1.9
135.04390	8.4
135.05424	2.0
135.06529	2.3
135.08076	8.1
135.11678	35.1
136.02144	100.0
136.03893	3.8
136.05194	2.5
136.06163	62.4
136.07529	7.2
136.12032	1.4
137.04567	5.0
154.04979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.06001	2.2
53.03930	5.0
55.01861	17.9
55.05503	2.2
65.03928	9.3
65.95439	2.1
67.05486	8.2
69.03419	17.9
71.58648	2.1
71.59185	3.6
77.03916	2.1
79.05484	51.0
91.05467	94.5
92.05797	5.5
93.07015	21.2
95.04956	13.6
105.04517	2.8
105.07009	27.2
107.04964	12.5
107.08579	56.5
108.08898	3.0
109.01089	9.3
109.06498	12.9
115.05433	31.0
117.06985	20.7
119.03516	6.2
119.06040	7.8
120.05716	2.5
134.22467	2.4
135.04401	8.9
135.08023	48.8
135.11679	4.4
136.02148	100.0
136.05112	4.3
136.06157	57.1
136.07465	5.3
136.08405	3.0
147.41635	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03947	3.1
55.01865	13.9
55.05494	1.0
58.38591	0.6
65.03618	1.1
65.03931	10.5
67.05503	6.0
68.05053	0.7
69.03419	13.5
70.47276	2.4
79.05482	47.8
80.05821	1.5
81.07065	1.1
91.05468	100.0
92.05792	2.4
92.06262	2.7
93.07034	11.5
94.04070	0.9
95.04964	8.4
105.04529	0.8
105.07019	33.5
106.04196	0.8
106.07357	2.4
107.04935	5.2
107.08578	43.9
108.08182	0.6
108.08913	2.7
109.01092	1.9
109.05751	1.0
109.06504	15.4
110.06866	0.8
115.04634	1.5
115.05442	28.8
117.07006	19.8
118.07336	1.4
119.03558	2.0
119.06041	6.1
119.08574	2.3
120.05722	2.1
124.05125	1.2
126.90653	0.7
135.04414	2.1
135.05548	0.8
135.08040	33.7
135.11668	3.2
136.02145	23.8
136.03827	1.3
136.06171	19.5
136.07492	1.7
136.08423	1.8
137.04576	1.2
146.63596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	18.9
55.01862	13.9
56.96559	63.5
57.03426	42.2
59.06107	9.4
60.04502	18.6
63.02168	5.6
67.05491	8.8
69.03409	21.2
71.22716	11.8
72.52944	9.0
73.02900	14.3
74.06078	8.6
75.05583	15.2
77.00887	9.9
79.05479	54.3
81.03401	11.0
81.07037	6.5
82.01404	9.4
85.02884	11.2
86.52684	53.1
87.02759	8.2
87.05587	31.9
87.53465	9.4
88.02662	22.1
88.51661	15.9
91.05466	18.8
93.07015	10.1
93.53460	8.9
94.06541	7.5
95.04947	14.6
95.53199	23.4
98.97539	7.4
99.53443	6.8
100.02457	59.3
101.00863	23.4
101.02462	10.0
102.02293	21.5
103.00585	6.4
103.02434	10.0
104.52613	5.6
105.06987	9.9
106.06546	11.6
106.07318	14.7
107.04941	31.2
107.06078	15.4
107.08554	20.3
111.02923	20.6
113.53139	11.0
115.05427	6.6
116.98625	7.7
117.07044	7.5
118.03493	58.7
119.01905	100.0
119.02727	5.0
119.03593	10.2
119.53339	10.7
120.02027	16.3
120.03278	6.8
121.01588	15.3
124.02415	6.6
128.97804	15.1
129.03964	10.6
130.01689	6.6
130.03514	10.2
131.01892	32.9
131.53188	6.1
133.03476	8.7
134.05974	33.9
134.07079	29.7
134.09596	13.2
134.99666	8.4
135.04373	30.0
135.05424	7.7
135.08046	9.0
135.09166	8.3
135.11595	6.8
136.04533	9.2
137.02948	31.2
137.49971	20.0
137.98341	15.4
138.00031	11.7
138.49869	9.5
142.03482	59.9
143.03624	12.7
144.03159	5.5
147.05006	23.1
149.02814	8.9
154.03442	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.05502	4.4
58.05335	0.8
65.03944	1.4
67.05499	1.4
70.70663	2.0
75.66018	0.5
77.03916	1.3
78.04695	2.0
79.05484	12.9
85.04029	0.6
86.89949	0.6
91.05470	31.2
92.05783	1.0
93.07036	7.9
95.04961	4.3
103.05448	5.0
105.03381	1.9
105.07016	92.1
106.04148	0.7
106.06675	1.0
106.07327	4.2
107.06091	0.6
107.08584	2.2
115.05445	9.3
115.41059	0.6
116.06216	2.2
117.07006	11.9
118.07796	10.3
123.07973	0.8
129.07031	0.6
131.08546	12.8
133.02843	2.3
133.06512	5.5
133.10112	100.0
134.03615	2.0
134.05988	1.1
134.07083	1.3
134.10472	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	1.8
55.05510	4.6
65.03921	0.8
67.05496	1.6
69.78204	3.7
77.03918	1.3
79.05482	11.8
85.15385	0.5
91.05468	35.4
92.05784	1.3
92.06298	0.7
93.07030	8.1
95.04974	2.9
103.05453	7.2
104.06225	0.7
105.03383	1.0
105.07015	100.0
106.04945	0.5
106.07334	4.3
107.08595	1.6
115.05451	11.2
116.06200	1.5
117.07004	10.7
118.07800	10.9
121.11033	0.5
129.06972	0.9
131.08551	12.7
133.02766	1.3
133.06522	4.2
133.10110	97.9
134.06015	0.9
134.06966	0.7
134.09612	0.7
134.10469	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	29.5
57.03414	16.2
63.24611	3.8
69.03414	5.3
70.06571	4.5
70.64057	4.4
70.64401	10.3
71.04990	5.7
73.02891	7.6
74.02431	100.0
74.06069	4.9
77.00832	3.9
77.47871	4.0
79.05484	4.6
81.03411	5.5
85.02904	3.9
85.53727	6.1
86.52687	11.8
87.05561	4.6
88.02679	8.4
88.03979	54.4
93.53471	4.8
95.53218	5.3
98.06116	5.3
98.06757	4.0
98.97606	9.1
99.53441	5.0
100.02472	17.7
101.00892	8.3
106.00292	3.8
106.06550	4.6
107.05000	4.1
116.98576	8.1
117.04025	5.0
118.03512	20.7
119.01895	48.9
119.53320	5.3
120.01965	6.7
121.01634	9.6
124.41598	4.0
131.01874	6.8
134.06033	11.0
134.99623	11.0
136.08682	4.0
137.02921	10.9
142.03520	22.2
143.03644	4.1
145.03500	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02356	0.9
53.03940	2.7
55.01876	0.5
55.05502	2.6
55.49305	0.4
58.05335	0.6
65.03929	0.9
67.05484	0.9
68.99185	0.5
70.96259	1.1
70.96593	0.6
76.59576	0.5
77.03912	1.8
77.53941	0.5
79.05039	0.6
79.05482	8.5
83.53186	0.5
91.05467	24.1
92.05780	0.6
93.07032	7.8
95.04939	2.9
95.73101	0.5
102.95939	0.5
103.05463	4.4
103.83354	0.4
105.03376	2.0
105.07016	100.0
106.06573	0.7
106.07337	3.2
107.08578	0.7
109.06522	0.5
112.02188	0.6
113.02959	0.7
115.05431	6.8
116.06232	0.7
117.07009	6.3
118.06521	1.0
118.07787	6.9
123.07934	0.9
131.08551	9.9
133.02835	2.8
133.06487	5.5
133.10114	61.4
134.05957	1.4
134.07021	1.0
134.09572	1.2
134.10460	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.5
53.00287	3.3
53.03940	32.2
55.01870	33.6
55.05499	9.0
56.05030	21.0
56.05833	3.6
56.96561	72.3
57.03431	48.0
57.46618	3.2
58.06581	10.7
58.99577	4.4
58.99846	6.9
59.04995	8.5
59.52185	7.7
60.04505	4.0
60.08171	5.9
60.95836	9.5
61.01144	16.1
61.02911	6.0
61.18690	3.0
61.66304	3.1
65.03895	3.3
66.52962	3.6
67.05496	4.9
68.02634	7.2
68.52695	8.2
68.99788	3.5
69.03426	38.0
69.07059	17.8
69.79361	7.6
69.79765	17.1
70.06577	24.7
70.07398	36.9
71.01339	16.4
71.04990	25.6
71.06905	10.4
71.53522	2.8
72.08142	5.8
72.18516	3.0
72.52966	4.7
73.02914	36.4
74.02444	21.7
74.06068	50.5
74.97617	3.4
75.01048	4.2
75.04467	8.6
75.05590	5.6
77.00898	14.7
77.03934	5.9
78.52940	8.5
79.05482	19.9
81.03413	22.6
82.01389	5.0
83.00809	4.0
83.01328	14.4
84.01555	6.5
84.52917	3.4
85.02875	24.7
86.03671	7.2
86.06043	8.3
86.52684	7.1
87.02669	24.3
87.04460	20.6
88.02678	9.2
88.03984	8.5
88.07605	8.8
88.08408	4.9
89.00801	4.3
90.09179	4.1
90.51284	6.6
91.02418	4.2
91.05454	25.7
93.02045	3.7
93.07019	3.0
95.01968	4.7
95.04954	13.6
95.53205	6.8
97.02884	11.9
97.99164	5.0
98.06039	13.8
100.02470	41.5
100.52438	4.4
101.00832	6.2
101.02441	6.3
102.02310	12.4
102.09203	4.0
103.02435	40.0
103.03912	3.9
103.05459	6.2
105.03410	12.3
105.07020	100.0
106.06564	4.7
107.03419	7.5
107.53204	6.5
109.02862	7.3
115.02420	7.6
115.03973	3.5
115.05421	11.3
115.08707	7.2
115.09428	6.6
116.07063	9.5
116.98559	4.6
118.01114	10.1
118.03492	46.5
119.01907	78.4
119.02732	6.6
119.03573	4.7
119.53362	17.4
120.01937	7.7
120.03294	7.9
121.03466	39.4
122.03585	4.4
122.53725	3.7
128.01970	3.9
131.01895	24.1
131.08533	4.8
132.05080	5.1
133.03520	39.5
133.04996	14.0
133.06464	38.7
133.10109	30.7
133.14182	29.9
134.03577	3.5
134.05994	10.1
134.08142	5.3
134.09554	3.7
134.11752	22.0
137.02933	33.1
138.02998	4.4
141.02744	5.6
142.03493	21.1
145.03436	5.9
146.99605	4.2
147.05035	5.3
149.02898	7.8
150.98938	3.2
151.04489	28.0
154.03506	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02364	0.7
53.03938	2.7
53.79761	0.7
55.05507	4.7
60.21409	0.8
65.03915	1.6
67.05482	1.6
69.31578	3.7
69.32017	3.5
77.03910	0.9
79.05484	11.9
91.05470	41.3
92.05791	2.0
93.07035	5.5
95.04939	2.5
103.05438	6.0
103.26579	0.7
104.06276	1.5
105.03390	1.1
105.07018	100.0
106.06637	1.4
106.07360	4.0
107.08593	1.1
112.02161	1.1
115.05437	7.1
116.06230	1.1
116.06971	0.9
117.07010	8.1
118.07818	6.6
123.07949	2.1
131.08554	9.5
133.02840	1.5
133.06458	4.9
133.07457	1.5
133.10115	57.7
134.06001	3.2
134.06958	1.1
134.09584	0.8
134.10468	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	133.1007
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	0.7
55.05490	1.0
59.34459	0.4
65.03920	2.1
69.92753	2.9
78.04703	1.0
78.64403	0.5
79.05470	3.9
91.05467	100.0
92.05804	3.9
93.07049	1.0
95.04960	0.8
103.05472	2.6
104.06238	15.1
104.06934	0.8
105.07022	26.7
106.06641	0.7
106.07364	1.1
115.05430	1.2
117.07024	1.2
118.07797	1.1
123.07963	0.9
131.08548	1.6
133.06491	1.6
133.10112	14.3
134.06017	1.5
134.10498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
53.03931	0.8
54.13056	0.4
55.01859	1.0
55.05500	1.8
56.05014	0.7
56.96556	31.3
57.03425	6.9
57.05812	0.7
58.06589	9.7
58.96134	0.6
58.99578	0.4
59.04981	1.3
60.95850	0.9
61.01136	1.8
61.02910	0.6
62.00277	0.5
67.05491	2.2
68.04982	0.5
69.03416	8.8
69.07054	100.0
70.04146	2.3
70.06574	3.4
70.07391	3.8
70.98100	0.7
71.01349	0.6
71.04980	0.8
71.95258	0.6
72.04497	0.4
72.08135	1.8
73.02907	1.7
73.06555	0.9
74.06060	1.0
74.97598	1.3
75.01021	2.8
75.05611	0.4
76.02694	0.6
77.00786	1.5
79.05469	0.4
81.01009	1.5
81.01877	1.0
81.03400	1.7
81.99996	0.4
82.02672	0.6
83.00762	0.6
83.04964	0.9
84.01551	13.9
84.96036	0.6
85.02866	6.9
86.06039	0.8
86.09689	98.2
86.97603	0.6
87.02682	2.1
87.04449	2.2
87.08089	8.6
87.10031	5.2
88.02663	0.6
88.03551	0.5
89.00773	1.1
89.03450	0.6
90.01537	5.9
90.02404	0.8
91.00510	0.7
92.01259	0.5
93.02070	8.5
95.00763	0.6
95.03394	0.5
95.52312	1.1
96.01530	1.1
96.02406	0.5
96.08138	0.6
97.02879	4.8
97.99146	0.5
98.01322	0.8
98.21012	1.0
98.97567	5.7
99.02079	0.9
99.04418	0.6
100.01014	0.5
100.02469	1.4
100.52401	0.5
100.99132	1.3
101.00853	1.3
101.05987	1.2
102.02381	0.7
103.02399	3.9
104.01264	2.7
105.02036	0.6
105.07003	0.6
109.02865	0.5
111.02905	0.7
112.99103	2.0
113.01794	4.2
114.08434	0.5
114.09100	2.0
114.12791	6.7
115.02354	0.9
115.03912	0.6
115.13153	0.4
116.98591	3.3
118.03467	0.8
118.54417	0.4
119.00164	1.8
119.01891	3.9
120.01976	0.7
121.01601	0.8
121.03465	2.6
128.98605	1.0
131.00143	4.7
131.01872	1.1
132.08192	0.6
132.10204	2.3
132.13814	53.9
133.03432	4.9
133.14172	3.0
134.03664	0.6
134.99629	1.4
137.01215	1.1
137.02975	1.1
137.04744	0.6
141.63582	0.5
142.46219	0.5
145.03456	0.5
146.99548	0.5
149.01196	9.4
150.01553	0.4
151.04489	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	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.18568	0.3
52.71146	0.3
53.03939	0.4
55.01859	0.4
55.05486	0.4
56.96556	6.0
57.03423	0.9
57.22519	0.3
58.06577	1.2
61.02912	0.3
69.03418	0.7
69.07053	12.3
70.06573	0.8
70.61181	1.4
71.04953	0.5
73.02917	0.5
77.00788	0.4
84.01557	1.4
85.02874	0.5
86.06056	0.4
86.09690	100.0
87.08099	0.6
87.10012	3.3
90.01522	0.3
93.02058	0.9
97.02885	0.5
98.21092	0.6
98.97565	1.9
99.04418	0.5
100.02460	0.7
103.02321	0.3
105.07036	0.4
105.71362	0.3
107.48562	0.3
110.01368	0.5
112.00993	0.3
112.02193	0.5
113.02946	0.4
114.12767	0.6
116.98602	1.2
118.03513	0.4
119.01860	0.8
123.07913	0.6
128.98602	0.4
131.00078	0.3
132.10208	1.1
132.13815	3.9
149.01262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01856	0.5
55.02990	0.7
55.05512	2.5
56.05030	4.9
56.96550	0.8
57.03411	1.8
57.07067	40.8
58.06593	0.6
58.07414	0.8
59.06114	1.5
60.04511	0.7
67.05495	1.5
68.05023	0.7
69.03419	47.1
69.07056	5.3
69.99440	2.5
70.03757	1.5
70.06596	2.4
71.04978	1.3
72.04507	2.5
72.08144	8.0
73.81311	0.5
74.09708	27.6
74.82176	0.5
75.10028	0.7
82.06569	2.8
83.06092	0.6
84.04494	25.0
84.08130	30.5
85.02880	0.7
85.04063	0.7
85.04812	1.0
85.07645	3.6
85.08461	1.2
86.06073	0.9
87.09224	1.1
88.07654	0.8
91.05469	7.0
94.06556	1.0
95.04949	1.9
98.04772	0.7
98.07143	0.7
103.05455	21.1
104.38021	0.5
112.05077	1.8
112.07590	100.0
113.07130	2.2
113.07932	6.5
114.36468	0.5
115.05459	0.6
116.06198	1.7
129.06981	1.6
130.02139	0.9
130.04974	1.2
130.06531	14.3
130.08627	19.2
130.09706	1.9
130.15900	49.0
131.04921	5.4
131.05959	1.2
131.06915	1.3
131.08527	6.4
131.16220	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	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03942	3.0
53.74822	0.2
55.01871	2.3
59.92202	0.2
63.48641	0.2
67.01843	0.5
69.25322	1.8
69.25739	0.6
71.04985	1.0
81.03413	2.8
83.89201	0.2
99.04440	0.4
109.02862	5.4
110.03187	0.3
111.09152	0.3
124.13587	0.2
127.03900	100.0
128.04248	3.8
128.07050	0.3
146.92795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.50456	0.6
56.05022	1.2
57.03419	1.9
58.06591	0.9
59.06107	0.9
63.39477	0.6
65.03924	1.4
68.05017	0.8
69.03427	1.6
70.03759	3.7
71.22765	0.6
71.59681	0.7
71.60124	0.6
72.04518	0.6
72.08147	0.9
82.30421	0.6
83.02449	1.1
84.04491	1.2
84.08122	1.0
85.04143	0.7
85.04830	1.9
85.08466	2.9
86.06056	3.7
86.09703	2.1
91.05470	100.0
92.05794	3.5
95.04962	1.6
96.04578	0.7
98.04766	0.8
100.58372	0.6
103.05457	33.8
104.04964	0.8
104.05771	1.4
105.07043	1.2
113.07195	0.9
113.07915	10.3
115.05432	8.7
116.06231	26.5
117.06509	1.0
120.35015	0.7
123.50777	0.7
128.06223	1.6
129.07001	16.6
130.07336	1.0
131.03407	0.7
131.04919	5.3
131.08548	86.7
132.04446	1.6
132.05502	0.6
132.08046	1.6
132.08896	4.6
133.06474	1.0
143.06041	0.9
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
55.12589	0.2
56.96558	1.3
58.99848	0.5
70.04098	0.2
70.22466	0.8
70.99829	0.3
73.88679	0.2
74.96116	0.2
77.00897	0.5
80.05005	0.4
81.04509	0.3
82.92883	0.4
82.99835	1.0
83.06104	0.3
84.01151	0.2
89.00902	0.3
89.85255	0.2
96.04485	0.4
96.05264	0.3
100.02458	1.1
101.00863	15.3
101.02560	2.3
102.00961	0.9
102.02206	1.2
107.06038	0.4
112.03949	0.3
118.03506	0.7
119.01904	100.0
120.01981	6.3
120.03242	0.5
121.02342	0.5
124.02449	0.5
124.03943	1.9
124.07641	0.2
124.08678	0.4
133.03426	0.3
137.02937	42.6
138.03058	2.6
142.03484	5.8
143.03587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84953	1.3
54.03447	5.2
55.05503	12.6
56.05031	22.4
57.04548	2.7
57.07051	4.9
58.06591	20.3
58.76634	1.4
59.06115	59.4
65.03916	2.2
65.60465	1.6
67.02975	2.5
67.05479	1.7
68.05019	84.9
69.04539	3.2
69.07057	60.5
69.81249	6.3
70.06582	19.7
70.07386	1.5
71.06099	4.1
75.32565	1.1
80.04989	5.5
81.04525	25.8
81.05306	2.0
81.07014	1.4
81.16599	1.4
82.05303	1.5
82.06567	34.2
83.06091	18.6
83.07324	1.9
83.08606	10.2
84.04485	5.5
84.05607	7.2
84.06419	3.3
84.06866	2.1
84.08130	39.9
85.04013	2.4
85.07156	3.1
85.07653	50.4
85.08884	1.7
86.08434	19.7
88.70761	1.5
92.04946	1.6
93.05757	1.8
95.06068	2.4
96.06863	1.7
96.08117	3.9
97.02882	3.3
97.07638	13.5
98.06028	2.2
98.07143	10.4
98.07972	2.8
99.05515	1.4
99.09183	5.1
107.06085	2.8
108.03744	1.3
108.04446	3.0
108.05589	4.6
108.06385	3.6
108.08080	11.5
109.03952	2.1
109.06496	1.6
109.07625	32.7
109.08357	1.4
110.07196	1.8
110.08408	5.0
111.07902	3.8
118.98884	1.3
119.03879	1.4
120.94298	1.4
124.08737	1.7
125.04230	2.5
125.07104	10.0
125.08218	28.4
125.09041	30.9
125.10719	31.9
126.05486	3.8
126.06601	13.0
126.07486	2.2
126.10258	100.0
126.12778	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82339	0.2
58.99860	0.2
60.00634	0.2
61.09409	0.2
69.49821	0.2
70.84677	0.4
77.00900	0.2
82.01427	0.2
82.99814	1.0
83.01484	0.8
84.01186	0.3
89.00933	0.2
100.02457	1.2
101.00866	18.8
101.02548	3.0
102.00914	1.1
102.02211	1.6
118.03500	0.6
119.01904	100.0
120.01982	5.2
120.03157	0.9
121.02341	0.3
124.02393	0.4
124.08678	0.2
125.79716	0.2
137.02937	37.3
138.03015	2.0
139.03400	0.2
142.03484	5.5
143.03610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23799	0.2
53.03932	0.2
55.01851	0.2
56.96565	0.9
57.68943	0.1
58.99855	1.0
67.31562	0.1
67.51987	0.1
69.69073	1.0
70.45682	0.1
70.74630	0.2
70.99840	1.0
77.00896	1.7
78.03458	0.6
80.05006	6.1
81.04557	0.2
81.05341	0.7
82.01444	0.4
82.99806	1.0
83.01494	0.6
84.01169	0.3
89.00885	0.6
89.28750	0.1
94.06590	0.2
95.01929	0.7
96.04473	3.9
97.02830	0.2
97.04829	0.2
98.20717	0.3
100.02460	1.6
101.00864	15.6
101.02538	3.7
102.00912	0.7
102.02219	2.0
103.02412	0.2
103.58517	0.1
104.95426	0.1
107.03230	0.2
109.02868	0.2
110.04764	0.6
118.03487	1.1
119.01904	100.0
119.03631	2.7
120.02003	6.4
120.03154	1.1
121.02369	0.2
124.03934	27.6
124.07552	1.2
125.04265	0.7
125.07099	0.6
133.03439	0.8
137.02934	43.9
138.03012	3.0
139.03398	0.3
140.03395	0.3
142.03488	6.8
143.03639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90579	0.8
53.03925	3.2
54.03454	2.3
55.02985	1.1
55.05504	5.1
56.05020	2.8
57.07061	2.9
65.03944	1.7
67.05148	0.9
67.05495	14.6
68.05022	1.3
69.04554	1.0
69.07049	1.7
69.71655	6.7
70.06577	1.5
79.02958	0.7
79.05486	17.8
80.04588	1.4
80.05009	13.8
81.04536	4.6
81.07046	100.0
82.05290	1.9
82.06561	2.4
82.07362	3.0
83.06089	5.4
83.40648	0.8
93.06989	1.1
95.04939	2.5
95.08604	7.8
96.04483	5.3
96.05616	2.1
97.07635	2.0
98.21354	1.3
106.02917	1.0
106.19348	0.8
107.06056	2.4
123.05527	18.7
123.06627	4.5
123.09155	4.0
123.11694	12.5
124.03944	12.6
124.08691	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03946	8.8
54.03464	2.4
54.34261	0.6
55.01856	1.6
55.05511	6.3
56.05026	5.0
56.29651	0.6
56.76144	0.6
57.07071	5.3
58.06594	0.6
58.96296	0.6
65.03938	2.6
66.03465	0.5
67.05498	22.3
68.05017	3.9
69.04552	0.9
69.07062	2.6
70.06573	1.6
70.51133	0.6
70.57520	1.1
77.03921	0.9
78.03449	1.5
79.05482	21.5
80.05009	24.0
80.05760	1.2
81.03411	1.3
81.04533	5.5
81.07046	100.0
82.01435	0.7
82.05309	1.3
82.06567	1.0
82.07378	3.1
83.06093	9.2
83.08658	0.6
93.07049	2.9
94.07816	1.3
95.04956	47.9
95.08592	18.5
96.04485	13.0
96.05213	1.0
96.08159	1.0
96.08911	0.7
96.30318	0.7
96.90768	0.7
97.07635	5.5
100.02471	2.6
105.03381	1.2
105.04512	2.1
105.07046	0.8
107.06082	7.1
108.05735	1.3
108.09357	0.9
112.03960	5.4
118.03503	3.0
119.01922	2.7
121.10153	1.3
123.04428	12.6
123.05541	29.2
123.07323	1.0
123.08153	7.3
123.09086	1.1
123.11693	23.2
124.03941	32.3
124.05849	1.4
124.07652	1.3
124.08694	10.0
124.12044	1.8
137.02957	1.4
140.03394	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35520	0.2
58.99865	0.7
60.00640	0.4
71.00507	0.4
71.00831	0.3
77.00894	0.6
82.01433	7.6
82.01900	0.5
82.99813	1.1
83.01513	0.5
95.04986	0.3
95.74095	0.2
100.02466	44.5
101.00856	14.3
101.02539	2.4
109.63062	0.2
114.52015	0.2
118.03502	27.3
119.01898	100.0
120.03926	0.4
121.02329	0.3
123.04016	1.0
123.05453	0.3
124.02443	0.3
133.03474	0.2
136.04552	0.6
137.02930	48.7
139.03355	0.3
141.05083	0.8
142.02383	0.4
142.03471	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00747	0.5
53.03948	0.6
55.01854	0.8
55.51299	0.4
55.64559	0.5
56.96561	1.4
57.03435	1.8
57.29597	0.5
58.99841	2.6
65.89262	0.5
69.01901	0.5
69.03412	1.3
70.99834	1.2
71.02557	1.3
73.86314	0.4
77.00897	2.0
78.03455	2.2
78.52957	0.8
79.51899	0.6
80.05010	9.9
81.03391	1.1
82.01427	14.4
82.99811	1.1
84.02415	0.5
85.02879	1.1
88.02647	0.6
89.00900	0.7
90.02431	0.5
95.04944	2.1
96.04477	3.4
97.02860	0.7
98.52657	0.6
98.97546	0.5
100.00109	3.0
100.02468	77.0
101.00862	19.8
101.02560	4.4
106.02898	3.0
114.04081	0.4
115.02420	0.6
117.42896	0.5
118.01138	10.8
118.03501	49.4
119.01900	100.0
119.03596	3.3
120.03320	0.6
123.04038	1.8
123.05524	13.9
124.03934	11.8
124.07552	0.5
131.01871	1.9
133.03427	1.0
136.02150	2.2
136.04523	0.6
137.02934	36.8
141.02733	0.5
141.05052	1.5
142.03505	6.3
142.98692	0.5
143.01845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03939	11.1
54.03467	1.3
55.01857	1.5
55.05500	7.4
65.03926	5.5
67.05494	7.2
71.58465	1.2
77.03919	2.4
79.05481	70.5
80.04993	1.3
80.05817	1.8
81.03407	2.0
81.04539	4.1
81.07050	1.3
82.05322	2.4
89.98621	0.8
91.05465	25.6
92.05791	1.3
93.04520	1.1
93.07030	50.6
94.06557	2.2
94.07350	1.2
95.04955	18.1
95.05530	1.3
95.06010	0.8
103.05451	21.5
104.04946	0.8
105.04522	4.6
105.07014	100.0
106.07893	6.4
107.07323	1.9
111.04408	1.2
119.08560	16.7
120.08889	1.3
121.02839	4.6
121.03965	2.4
121.06519	7.4
121.10123	56.5
122.06021	4.4
122.07124	15.7
122.09626	3.1
122.10472	2.8
123.08044	12.3
133.07578	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02363	1.1
53.03942	10.7
54.03455	2.2
55.01855	1.7
55.05509	4.5
65.03928	9.3
65.37711	0.8
66.14526	0.8
67.05499	11.9
70.06573	1.0
70.98449	1.9
70.98799	1.5
73.18887	0.9
77.03917	1.9
79.05485	62.6
80.05013	1.9
80.05779	0.9
81.03400	1.6
81.04512	3.4
82.05296	3.3
88.66734	0.8
91.05463	26.9
92.05791	1.2
93.07032	48.0
94.06556	2.6
94.07373	2.7
95.04952	18.0
103.05454	22.1
104.05733	1.0
105.04491	5.3
105.07014	100.0
106.07883	6.9
107.07307	3.2
111.04410	2.2
112.03960	1.6
119.08557	16.0
121.02871	7.1
121.03965	3.3
121.04765	0.8
121.06498	12.1
121.07380	1.3
121.10123	53.2
122.06020	5.3
122.07126	12.9
122.09637	7.1
122.10477	3.2
123.08052	11.0
133.07610	5.1
138.64812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03934	15.8
54.03448	2.1
55.01844	2.8
55.05504	18.4
65.03939	12.8
66.46805	1.8
67.05490	19.0
71.61709	2.7
79.05479	97.2
80.05009	3.3
80.05779	2.5
81.03389	4.2
81.04517	5.2
82.05300	3.5
85.69146	1.7
91.05467	44.0
93.03373	1.9
93.07029	100.0
94.06527	6.1
94.07358	4.0
95.04953	29.3
103.05457	15.4
104.05759	2.5
105.04489	6.6
105.06345	2.8
105.07018	49.0
106.07859	2.1
107.07292	5.7
111.04453	2.5
112.03923	4.2
118.06458	1.7
119.08562	7.5
121.02853	16.3
121.03943	7.6
121.05020	2.1
121.06522	18.4
121.10128	41.2
122.06097	13.5
122.07124	20.5
122.09635	11.6
122.10403	2.8
123.08012	5.7
123.09468	1.9
133.07611	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02356	1.3
53.03938	10.1
53.61868	0.5
54.03222	0.8
54.03461	10.9
55.01871	2.6
55.05505	4.4
56.05014	0.8
56.96551	0.8
58.02938	1.3
62.12243	0.5
65.03931	17.0
67.02962	1.7
67.05502	3.7
68.05019	3.0
70.06566	2.1
71.62110	0.8
77.03895	1.2
78.04697	1.6
79.05479	37.1
80.04992	2.3
80.05805	0.9
81.03439	3.1
81.04528	22.5
81.05779	1.6
81.07030	2.3
82.04816	1.1
82.05309	23.8
89.37389	0.5
91.05466	34.0
92.05808	1.6
93.03400	1.3
93.04504	1.4
93.07028	48.7
94.04135	0.6
94.06559	3.9
94.07349	1.7
95.04953	20.8
95.06062	12.9
96.04525	0.6
103.05452	19.3
104.05026	1.0
104.05762	1.6
105.03410	1.0
105.04509	8.1
105.07012	53.9
106.04089	0.7
106.07227	1.2
106.07892	4.7
107.04817	1.5
107.07305	5.3
111.04427	4.4
112.03918	0.6
119.08562	7.3
120.05578	1.6
120.90404	0.5
121.02844	13.5
121.03965	5.5
121.04858	0.9
121.05080	0.8
121.06497	20.6
121.07594	2.9
121.08348	1.2
121.10121	28.1
122.06082	4.3
122.07130	100.0
122.09618	8.5
122.10489	1.5
123.08038	5.1
133.07574	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	0.7
53.03938	5.4
53.65340	0.3
54.03462	0.5
55.01847	0.6
55.05497	1.2
65.03939	1.9
70.06578	0.3
71.16874	0.4
77.03917	0.9
78.04705	0.4
79.05481	36.5
80.05013	0.3
80.05804	1.0
80.06237	0.3
81.03423	0.5
81.04523	1.5
81.07040	1.0
82.05300	1.0
91.05468	15.0
92.05796	0.7
93.03417	0.3
93.04596	0.3
93.07037	16.0
94.06558	0.7
94.07365	1.0
95.04959	10.4
95.05958	0.4
103.05454	21.5
104.05716	0.4
105.04547	2.8
105.07016	100.0
106.07273	2.3
106.07927	5.0
107.07341	0.6
111.04408	0.5
117.06908	0.4
119.08566	13.7
119.09425	0.7
120.05711	0.6
120.08955	0.6
121.02872	1.5
121.03975	0.9
121.06525	3.2
121.10126	48.1
122.06011	1.8
122.07126	5.3
122.09641	0.7
122.10464	2.9
123.08054	12.4
133.07596	6.1
138.06731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03930	0.9
54.04276	0.4
56.05031	0.3
56.96548	0.3
59.06117	11.5
60.04503	1.7
64.18131	0.2
65.03933	15.9
67.37586	0.2
69.58734	0.3
71.61723	0.3
71.62134	0.5
74.06043	0.7
77.03539	0.3
77.03933	0.3
78.04686	0.4
79.05480	2.4
87.05584	2.0
91.05468	100.0
92.04999	1.3
92.05796	3.4
93.04494	0.4
93.07037	1.3
95.04953	1.2
96.05296	0.6
101.07099	0.4
103.05458	4.2
104.06232	2.9
106.04829	0.3
109.06491	0.5
114.20674	0.3
115.05459	1.0
117.07006	4.7
119.04929	20.0
119.06019	1.5
119.06850	1.1
119.08570	18.9
120.04461	1.1
120.05559	2.9
120.08097	2.7
120.08917	1.0
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
53.03939	1.5
59.06121	5.9
60.04525	0.8
65.03935	13.7
65.63205	0.3
66.04258	0.4
69.85480	2.1
74.06082	0.3
78.04697	0.9
79.05492	4.0
87.05581	1.3
91.05470	100.0
92.04993	0.5
92.05807	2.7
93.07030	2.6
95.04960	2.5
103.05467	7.2
104.06235	5.7
105.04465	0.7
109.06525	0.8
115.05446	2.2
117.07006	10.3
119.04932	16.3
119.06057	1.1
119.08566	40.1
120.04461	0.5
120.05521	2.0
120.08073	1.4
120.08916	1.7
125.48808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.52249	0.5
56.05026	0.9
58.06573	1.2
59.06120	12.7
60.04514	3.8
61.02924	0.6
65.03588	1.0
65.03932	19.6
69.75496	3.6
71.07634	0.5
73.02934	0.5
74.06071	1.1
79.05470	1.3
87.05576	2.6
91.05469	100.0
92.04997	1.8
92.05804	3.6
93.04510	1.0
93.06993	0.6
95.04967	1.0
101.07114	1.1
103.05463	2.0
104.06224	0.8
115.05428	0.7
117.07014	1.6
118.30407	0.6
119.04926	25.3
119.05984	1.4
119.08604	7.1
120.04497	0.8
120.05524	3.0
120.08073	1.8
120.08864	0.7
121.03851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	2.8
54.97993	0.8
60.72788	0.7
65.03932	5.1
70.49152	2.3
78.04710	1.5
79.05489	5.5
91.05470	100.0
92.04999	1.3
92.05791	3.3
93.07044	4.4
95.04937	3.4
96.04426	1.0
103.05454	10.6
104.06241	9.7
105.04482	0.8
109.06509	1.5
112.09731	1.0
115.05424	5.0
117.06172	1.3
117.07001	24.4
118.07317	1.1
119.04967	1.8
119.06050	4.2
119.08562	62.2
120.04430	0.8
120.05591	1.9
120.08074	1.8
120.08913	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.67014	0.4
51.02380	0.5
53.03944	3.1
53.17960	0.5
59.06109	2.9
65.03934	5.8
67.05506	0.7
71.62243	0.9
73.71872	0.5
75.16843	0.5
77.03889	0.9
78.04708	1.6
79.05484	8.0
87.05546	0.5
91.05468	100.0
92.04953	1.1
92.05798	2.9
93.07029	5.9
95.04948	4.3
96.05287	1.2
103.05456	11.5
104.06234	12.8
105.04514	1.1
109.06489	1.2
110.06016	0.6
115.05432	5.2
117.07002	23.7
118.07328	0.9
119.04962	2.4
119.06042	1.4
119.08561	76.7
120.04388	0.6
120.05582	1.2
120.08121	0.9
120.08902	3.1
121.06493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05105	0.7
51.02350	1.0
52.07500	0.6
53.03930	3.0
59.06113	2.0
59.76787	0.6
60.48537	0.6
62.01585	0.9
63.02035	1.0
63.02368	20.1
69.03427	3.2
69.79308	1.4
69.79719	4.0
72.08142	0.7
75.05584	0.9
76.93373	1.1
77.03912	0.8
89.03902	100.0
90.04249	4.2
91.05475	2.1
95.04944	4.7
103.64783	0.6
105.04533	1.1
115.05443	3.7
117.03381	3.3
117.07010	4.0
118.06522	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	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01852	3.4
55.05496	3.1
55.42292	1.7
56.96558	11.3
57.03430	2.4
58.99853	5.8
59.06116	14.2
59.52174	3.9
60.04504	3.3
65.03912	4.4
65.52173	3.0
66.21164	1.8
67.05501	12.8
68.52706	2.4
69.03419	68.1
70.03751	1.9
70.82172	6.1
71.02962	7.5
71.53019	2.0
74.52705	2.3
77.00915	2.2
77.29428	1.7
78.52959	10.8
79.51930	3.2
80.02957	2.1
80.03474	2.2
80.06258	4.8
81.07034	4.2
82.01428	18.3
82.02670	2.0
83.01495	2.0
85.01379	2.6
85.53719	2.4
86.52657	1.9
87.53474	13.3
91.05469	22.7
93.07028	4.9
93.53463	7.1
95.04934	3.3
98.97610	1.9
100.02468	100.0
101.00854	13.6
101.02529	14.7
102.02239	5.5
103.02427	15.5
107.05254	11.4
107.53198	4.3
107.55280	2.8
115.02434	3.2
116.05773	8.5
117.05671	4.0
118.01170	3.5
118.03507	60.2
119.01904	90.3
119.03584	8.6
119.08559	2.9
120.02013	5.5
120.03251	3.1
120.05585	2.4
121.03490	16.3
126.04001	2.4
129.04004	3.9
131.01903	2.9
133.03445	12.1
137.02927	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	113.0595
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.87112	0.7
53.03930	0.9
55.01864	2.1
55.05500	1.3
57.03429	34.5
57.03714	1.8
57.07048	1.2
60.04513	1.1
65.03922	3.6
67.01875	5.5
67.05145	1.5
67.05495	29.1
68.05013	3.0
68.99763	1.1
69.03410	2.7
69.07054	3.3
70.02946	10.9
70.03712	0.9
70.06561	1.1
71.00275	1.4
71.03281	0.9
71.04985	4.9
71.33032	0.8
71.94093	6.5
71.95245	1.0
72.05904	0.8
72.93785	10.8
73.50325	0.9
74.42725	0.8
79.05478	3.8
79.59754	0.8
85.06530	12.7
86.06050	1.4
89.95130	1.1
90.00069	1.3
90.94805	4.3
95.01311	4.6
95.02442	1.2
95.04951	15.3
96.00848	7.0
96.04482	1.1
96.08125	2.1
99.00641	1.5
108.95842	2.1
113.00072	4.4
113.02352	100.0
113.03472	15.5
113.05976	12.8
113.07893	2.1
114.02685	1.9
114.05515	2.9
114.09156	20.8
121.24443	0.8
131.97406	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	116.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51876	0.1
57.05795	0.6
58.06589	8.3
59.06907	0.1
69.58234	0.6
69.58633	0.2
70.06581	3.3
71.04962	0.4
72.08126	0.1
73.64670	0.1
79.36159	0.1
83.07313	0.1
86.06011	0.1
88.07614	8.0
89.07942	0.2
98.09671	1.2
100.07608	0.2
101.08379	0.4
116.10710	100.0
117.10262	0.1
117.11050	2.1
127.82410	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05021	0.6
56.96540	0.9
57.05807	0.6
58.06590	10.2
59.04980	0.3
59.06119	1.5
68.05019	0.4
69.03405	0.3
69.58338	0.9
69.58763	0.6
70.06581	67.5
71.04974	0.7
71.06902	1.4
72.08147	0.6
76.00163	0.2
76.07640	0.9
83.00764	0.4
88.07617	8.4
92.01246	0.2
95.01348	0.3
98.06038	0.4
98.09668	1.6
98.21487	0.2
100.02469	0.4
100.07585	0.3
101.08372	0.7
113.63265	0.2
116.07082	5.3
116.10712	100.0
117.10268	1.1
117.11063	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	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00476	0.6
53.03949	1.2
54.03459	4.1
55.05506	18.5
56.05029	5.5
57.04557	0.8
57.07068	0.9
58.06588	4.3
59.06109	0.7
67.02982	0.6
67.05482	2.8
68.05021	14.9
69.03410	0.7
69.04552	2.2
69.07060	57.3
69.20757	0.5
70.02727	1.1
70.03109	1.0
70.04089	0.9
70.06583	71.0
70.95874	0.5
71.06110	11.0
71.06966	1.2
71.07363	5.1
80.04984	0.5
82.05325	1.4
82.06583	1.7
83.06081	3.5
84.04517	0.8
84.05614	1.1
84.08132	8.0
85.07660	9.9
88.00494	1.7
89.00277	0.9
94.02962	0.6
94.06554	8.8
95.04986	0.5
95.06084	8.9
96.05611	2.3
96.06859	5.7
97.00990	4.5
97.06392	1.2
98.00729	0.6
99.51264	1.4
110.07142	6.4
111.04451	1.1
111.05587	4.0
111.06704	4.5
111.07520	3.2
111.09190	100.0
112.03938	1.0
112.05108	1.1
112.08717	91.5
113.96336	0.5
115.96415	1.7
116.97198	0.7
117.95995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
78.60928	0.1
79.05474	0.9
81.03384	0.2
81.07058	1.0
83.08612	0.3
84.48936	0.1
86.44872	0.1
91.01471	0.1
91.05452	0.9
93.07018	1.3
95.04933	0.3
95.08588	0.9
99.92602	0.2
105.07015	0.5
107.08590	0.6
108.86815	0.1
109.10159	0.3
119.08560	0.3
121.10133	0.6
122.10412	0.2
131.08560	0.4
133.10104	0.2
135.11676	0.3
140.92552	0.2
147.11673	0.2
149.09622	0.2
149.13255	0.2
157.09998	0.2
159.11598	0.2
170.52087	0.2
173.05991	0.2
173.13327	0.2
185.05865	0.2
199.07605	0.3
200.35071	0.2
231.02881	0.6
243.20898	0.2
245.04501	0.7
246.04912	0.2
261.22174	0.4
262.22482	0.3
271.05988	0.5
335.25766	2.5
336.26022	1.2
353.26801	0.2
369.13187	0.3
395.15247	0.2
396.11880	0.3
397.12814	1.0
398.13800	0.4
400.15219	0.2
409.13123	0.4
410.13660	1.0
411.14474	3.2
412.15237	2.5
413.16003	2.6
414.16327	0.6
423.09793	0.2
423.15195	1.0
424.11124	0.7
424.16165	1.5
425.16272	6.5
426.16873	5.2
427.17593	1.6
428.18515	1.1
430.17047	0.2
431.17114	0.3
437.11502	0.3
437.16193	0.7
438.12939	1.1
438.17194	0.9
439.13467	9.1
440.13760	0.9
440.19119	3.9
441.19266	23.1
442.19571	2.9
444.17099	0.2
451.17935	0.5
452.13977	1.9
453.15207	11.2
454.15714	3.5
455.21658	0.3
456.13712	0.2
457.14487	0.4
458.15604	0.2
463.14026	0.8
464.14349	0.3
465.15649	0.4
466.11984	0.2
466.17194	0.8
467.17111	18.7
468.17801	10.2
469.18790	8.9
470.19519	1.1
471.16800	0.7
472.17575	0.4
477.15305	0.3
478.15900	0.4
479.16779	0.2
480.15051	0.5
480.17285	0.5
481.14621	9.5
482.15320	3.1
483.15433	0.4
485.18567	0.7
486.18851	0.4
487.19653	1.8
488.19861	1.1
494.17593	0.3
495.16187	6.4
496.17035	13.3
497.17712	2.8
498.18747	0.6
499.20706	1.0
505.20633	0.7
506.21039	0.4
508.19162	0.5
509.18137	1.8
510.18994	0.5
512.20520	0.6
513.17340	0.3
514.22583	2.2
515.22815	0.2
522.18048	0.8
523.19739	1.4
524.20331	0.3
525.17871	0.3
526.20398	0.2
527.23419	2.4
528.23431	0.3
536.19196	0.6
537.19525	0.8
538.20062	0.2
539.19537	0.5
540.20239	0.4
542.21613	0.7
545.24139	0.3
551.19214	0.6
555.22357	22.3
556.22693	3.0
568.19586	0.5
573.23480	0.3
583.21820	67.9
584.22064	8.8
586.20447	0.6
587.25171	1.4
600.21320	0.4
610.20642	0.2
611.21246	1.5
612.21454	0.2
614.24011	0.9
615.24396	5.9
616.24567	0.8
642.23181	6.2
643.23840	100.0
644.24066	12.2
644.35175	0.4
655.45795	0.2
747.40625	0.4
748.40845	0.6
765.41577	0.5
766.42047	0.9
927.73291	0.2
1125.53870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03939	2.7
55.01857	2.1
55.05504	45.7
56.05825	0.8
56.95803	0.4
62.43612	0.5
64.28558	0.5
65.03936	6.6
67.05483	0.9
69.03432	2.4
69.07072	0.8
70.06587	2.2
70.09078	2.3
71.01347	0.8
83.04968	27.3
84.08133	0.5
85.02891	0.7
88.00463	3.1
89.00240	0.6
91.05476	0.6
93.03391	1.7
93.07038	0.5
97.00983	7.1
98.00779	0.7
98.20670	0.5
106.01447	0.4
111.04428	100.0
111.08063	2.0
111.09174	3.6
112.04011	0.8
112.04764	3.2
112.07594	2.6
115.96426	2.3
116.97212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04906	0.0
96.48319	0.1
97.02859	0.1
98.20731	0.2
105.06934	0.1
107.04941	0.1
121.06454	0.1
122.17992	0.1
122.41926	0.1
123.04433	0.3
125.02412	0.1
126.03106	0.1
133.02826	0.1
135.04350	0.2
137.02319	0.1
139.03864	0.1
139.07521	0.1
147.04349	0.1
148.05159	0.1
149.02286	0.1
149.05898	0.1
153.00632	0.1
153.01790	0.9
161.02275	0.2
161.05933	0.1
163.03888	0.8
167.07016	0.6
169.06381	0.1
170.02061	0.2
177.05449	0.2
178.02698	0.3
178.06213	2.8
179.03339	0.2
179.06551	0.1
181.04861	0.2
183.02934	0.1
185.05910	0.1
187.04001	0.1
189.05559	0.1
191.03331	0.1
192.04100	0.1
197.05942	0.1
200.04779	0.1
201.01764	0.1
203.03426	0.2
204.04178	0.3
205.04843	0.1
211.03923	0.1
213.05403	0.1
214.22571	0.1
216.04149	1.1
217.04912	0.4
227.03427	0.3
228.04109	0.2
229.04852	0.1
229.08647	0.1
231.02907	0.3
231.06429	0.6
239.03191	0.1
241.04935	0.5
242.05498	0.1
243.06482	0.5
244.03642	0.8
245.04387	0.1
247.07544	0.1
248.35564	0.1
250.06079	0.1
253.04955	0.1
255.02843	5.4
256.03378	0.3
257.04276	0.1
259.05994	1.4
263.06732	0.1
266.05701	0.1
267.06494	0.1
268.03705	0.1
269.04385	1.9
270.04831	0.1
271.05865	0.2
272.03098	0.3
273.03790	0.1
281.04471	0.4
281.07498	0.1
283.02335	1.2
283.05914	0.4
284.03458	0.4
284.06177	0.4
285.03796	0.1
285.07388	0.1
287.05450	6.4
288.05740	0.1
289.10626	0.1
293.07953	0.2
294.05072	0.1
295.05960	0.1
296.06589	0.1
297.03876	1.5
298.04614	0.2
299.05472	0.9
299.08649	0.1
300.02621	2.4
300.05713	0.1
301.03207	0.2
301.07007	0.3
302.07724	0.1
303.04703	0.1
308.06967	0.1
309.07709	0.1
311.05481	0.4
311.08847	0.1
312.06247	1.1
313.06995	0.9
314.04153	0.1
314.07849	0.2
315.04922	38.6
316.05322	1.2
317.10281	0.1
327.08560	0.3
329.06485	1.0
330.07275	17.7
331.07632	0.5
338.07825	0.1
339.08740	0.1
344.08859	0.1
345.09619	100.0
346.09961	2.6
353.10028	0.3
369.09488	0.1
371.11411	0.1
379.08231	0.1
387.10678	0.1
390.15378	0.1
397.09122	0.2
415.09787	0.1
443.09692	0.4
489.13751	0.1
493.11230	0.1
507.14938	1.4
639.18951	0.2
1083.22681	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	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00282	0.3
53.03946	1.7
53.90621	0.3
55.05504	10.7
65.03936	5.1
67.05495	100.0
68.05025	1.5
68.05820	2.1
69.04546	0.9
69.07058	7.2
69.83912	1.7
72.93792	0.4
79.05481	9.3
79.05936	0.5
80.06266	1.2
81.03450	0.4
81.07046	29.6
82.06551	1.0
82.07372	0.7
83.06093	0.3
85.60519	0.3
86.00681	0.4
87.00452	2.7
91.05482	1.0
92.04973	0.4
93.04538	0.4
94.07812	1.3
95.04923	0.3
96.01003	0.4
98.20745	0.3
105.07070	0.3
105.95505	0.3
107.08580	3.7
108.00893	0.3
109.06494	1.0
109.07638	3.9
109.10142	34.3
110.06019	1.3
110.07146	3.8
110.10486	1.5
113.96377	1.1
117.62665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	0.7
53.00292	0.6
53.03938	13.3
53.88288	0.4
54.45075	0.4
55.01866	0.4
55.05502	10.9
65.03934	6.4
67.05494	100.0
68.05028	7.3
68.05827	2.5
69.04547	1.4
69.07059	7.5
70.74766	1.2
70.75135	0.9
79.05483	12.9
80.05002	1.0
80.06254	1.3
81.03407	20.5
81.04517	0.6
81.07045	37.2
82.03702	0.6
82.06578	6.0
82.07365	1.4
83.06100	0.9
87.00459	0.8
91.05478	3.4
92.04992	1.3
93.04523	0.8
94.04176	2.6
94.07813	1.3
95.06059	0.4
103.80210	0.5
105.07008	0.9
107.04931	0.7
107.08586	3.6
109.02872	3.7
109.04014	0.7
109.06498	9.3
109.07626	14.7
109.10139	38.0
110.06027	5.0
110.07178	4.7
110.07914	0.8
110.10486	1.6
112.46558	0.4
126.49813	0.5
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	o-Cresol
Peak:m/z	Relative Intensity
51.02009	0.6
51.02371	2.1
53.00320	0.6
53.03937	31.5
54.03470	0.5
55.01869	7.5
55.05497	9.1
65.03931	10.7
66.04714	1.9
67.02967	1.1
67.04239	1.8
67.05492	78.2
68.05020	12.1
68.05814	1.1
69.03417	0.7
69.04546	2.5
69.05790	0.9
69.07051	4.2
69.80369	1.0
69.80772	3.4
79.05480	54.7
80.05021	2.0
80.05816	1.1
80.06264	1.5
81.03404	56.3
81.07042	62.8
82.03748	1.7
82.06567	11.9
82.07378	1.6
83.06093	1.6
87.00465	0.6
91.05465	14.5
92.04984	2.3
94.04166	7.7
94.07803	1.1
95.04956	2.0
105.06966	0.7
107.04941	2.2
107.08585	3.2
109.02857	8.3
109.06501	100.0
109.07607	26.7
109.10136	35.2
110.03163	0.6
110.06061	7.7
110.07196	6.4
110.07952	0.8
110.10432	0.9
119.62038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	0.2
81.03422	0.2
83.04972	0.2
85.02897	1.1
87.04449	0.2
91.05476	0.1
95.04980	0.2
97.02875	0.5
107.04934	0.3
109.02904	0.1
110.03697	0.1
111.00780	0.2
111.04404	0.1
115.03913	0.3
119.04980	0.1
121.06487	0.2
121.74823	0.1
123.04414	0.2
127.03904	0.2
127.20402	0.1
129.05489	0.1
129.77121	0.1
133.02824	0.1
133.04948	0.2
134.03593	0.1
135.04395	0.3
136.05180	0.2
137.02333	1.5
137.03383	0.2
139.07524	0.3
147.04398	0.3
149.05946	0.8
151.03897	0.3
151.07471	0.6
153.01807	6.4
153.05403	0.3
159.08060	0.1
162.06735	0.1
163.03886	0.8
163.07434	0.1
165.01790	0.2
165.05482	0.1
167.03427	0.2
167.07066	1.1
168.07802	0.2
169.06570	0.1
171.02885	0.1
175.03900	0.2
177.05472	1.2
178.06215	1.1
179.03369	0.2
179.06995	0.7
181.08600	0.3
189.05479	0.1
191.03395	0.6
191.07034	0.6
192.07835	0.2
193.05005	0.2
194.09383	0.6
195.06506	1.7
197.06000	0.4
199.02188	0.1
199.03975	0.2
205.04918	1.8
206.05682	0.1
212.04689	0.1
213.05502	0.4
225.05457	0.2
229.05022	0.3
237.05553	0.1
241.04962	0.4
243.03001	0.2
243.04112	0.1
243.06427	1.0
245.04451	0.3
251.03323	0.1
253.04889	0.2
255.02832	0.3
255.06435	0.2
257.04495	0.3
257.08191	0.1
265.04852	0.1
268.03738	0.1
269.04355	0.7
270.01660	0.3
270.05063	0.1
271.02405	0.4
272.03162	0.2
273.04071	0.2
274.04709	0.2
277.08560	0.1
278.79556	0.1
279.02869	0.3
279.06128	0.1
281.04507	0.1
283.05832	0.2
284.06821	0.4
285.03937	0.2
297.04044	0.5
298.04501	0.2
301.03336	0.2
302.04379	0.3
303.04883	1.0
305.04376	0.1
305.07953	0.1
306.05414	0.1
309.04129	0.2
311.05414	0.2
312.06219	2.5
313.07172	0.2
315.05328	0.3
316.06891	0.2
317.04565	0.2
317.08203	0.3
319.06046	0.3
319.09576	0.2
321.04010	0.4
321.07538	0.2
323.05524	0.2
325.03473	0.2
326.07944	0.1
327.05173	0.1
329.04364	0.2
331.06018	0.5
331.09726	0.3
332.06992	0.3
333.03958	0.2
333.07498	0.2
334.04761	0.1
335.05423	0.2
336.06113	0.1
337.03485	0.2
342.05286	0.2
343.08304	0.4
344.03162	0.1
344.08768	0.4
345.03937	0.2
345.09625	0.5
346.04581	0.2
347.05545	0.4
347.09192	0.4
348.06207	0.2
349.03464	0.1
349.07034	0.2
355.05719	0.2
357.04007	0.3
357.09482	0.4
358.04428	0.2
358.08417	0.3
359.05438	0.8
359.09265	0.1
360.06219	0.8
361.03143	0.2
361.07175	0.5
362.07935	0.2
363.04825	0.4
363.08875	0.2
370.04483	0.2
371.05640	0.5
372.06293	0.3
373.03302	0.3
373.07272	0.3
374.04196	0.2
375.04742	0.3
375.08704	1.0
377.06509	0.2
379.04492	0.4
383.06140	0.1
385.03406	0.3
385.09015	0.4
386.03619	0.2
386.08008	0.4
387.04816	1.7
388.05490	0.7
388.09808	0.2
389.06558	0.7
390.11139	0.5
391.04187	0.7
392.05377	0.2
393.05948	0.3
398.04254	0.4
399.04831	0.3
401.02505	0.3
401.06680	0.4
402.03378	0.2
402.08008	0.3
403.03952	0.8
403.07251	0.2
403.08960	0.2
404.05203	0.3
404.09601	0.2
405.05881	1.1
407.03845	0.3
409.12936	0.2
412.05692	0.2
413.06598	0.4
414.07629	0.2
415.04358	7.5
416.04300	0.8
416.09082	0.4
417.05920	2.1
418.10999	1.0
419.07620	0.5
420.04050	0.5
421.05237	0.5
421.09320	0.7
422.09818	0.2
429.05933	0.6
430.06760	1.2
431.08224	1.1
432.08380	1.8
433.09863	0.6
434.10281	0.6
435.11008	0.3
436.07822	0.5
437.08722	0.4
445.09641	7.1
446.09985	2.9
447.03607	0.7
447.10754	1.8
449.08749	0.3
450.09409	5.5
451.10205	0.6
453.05759	0.2
453.11908	0.5
459.07248	0.2
460.08182	0.7
461.04654	0.5
463.10138	0.5
465.11850	1.0
471.10812	0.2
473.08569	0.2
475.10318	1.4
477.08298	1.9
483.07257	0.2
484.07648	0.2
485.05197	0.4
487.10568	0.2
491.09625	0.7
493.11520	0.3
495.08917	0.6
497.08945	0.3
498.06006	0.2
500.07294	0.3
501.08215	0.2
509.10617	0.3
515.09595	0.8
523.06915	0.3
525.08038	0.2
539.09613	0.1
541.07849	0.3
543.09454	0.3
551.06073	0.2
553.11218	0.3
556.09680	0.1
567.07611	0.2
569.07001	0.8
571.11957	0.5
579.05731	0.2
581.10352	0.2
583.08997	0.2
595.08813	0.5
597.06573	5.6
598.07251	0.4
599.11987	1.5
609.09998	0.2
611.08649	0.2
612.08655	1.2
613.10010	0.6
615.07813	0.2
617.12689	0.5
627.11182	4.0
628.11884	0.2
644.11462	0.3
645.12274	100.0
646.12616	6.5
687.13428	1.2
753.14349	0.3
765.71210	0.1
807.17004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
78.24286	0.1
80.84584	0.1
83.05006	0.1
85.02889	0.8
91.05474	0.2
97.02895	0.4
103.05495	0.2
107.04961	0.4
109.06493	0.1
111.00787	0.3
111.04407	0.1
117.21204	0.1
119.14262	0.1
121.06490	0.1
123.04442	0.3
123.08121	0.1
125.05901	0.2
135.04405	0.2
136.05228	0.1
139.07526	0.3
147.04326	0.1
149.05965	0.7
151.03940	0.3
151.07541	0.8
153.01802	8.1
153.05472	0.4
162.06673	0.1
163.03934	0.6
164.04688	0.1
165.01825	0.2
165.05403	0.2
167.03445	0.3
167.04868	0.2
167.07037	1.2
168.07735	0.2
171.02888	0.2
175.03905	0.2
176.01070	0.1
177.05460	1.3
178.06215	1.4
179.03427	0.3
179.06993	0.6
181.08591	0.3
185.06042	0.1
191.03363	0.6
191.07069	0.4
193.04990	0.3
194.09360	0.4
195.06485	1.9
197.06076	0.3
199.03937	0.2
201.05592	0.1
203.03287	0.2
205.04935	2.1
206.05731	0.2
213.05518	0.4
223.03932	0.2
225.05463	0.5
227.03389	0.2
229.05077	0.2
239.03380	0.2
241.04915	0.6
243.02602	0.1
243.06467	0.9
245.04399	0.2
251.03268	0.1
255.02818	0.2
257.04434	0.5
269.04349	0.6
270.01593	0.3
271.02368	0.7
271.79230	0.1
279.02856	0.3
281.04407	0.2
285.03903	0.2
285.07739	0.2
287.05707	0.1
297.03983	0.5
298.04767	0.2
303.06152	0.2
304.07327	0.2
305.04340	0.3
305.07953	0.1
306.05164	0.1
309.04068	0.2
312.06277	0.4
315.05515	0.3
316.07504	0.1
317.04477	0.3
317.07956	0.3
318.05185	0.2
319.06076	0.4
321.03976	0.3
327.05981	0.1
328.03683	0.2
329.04437	0.3
331.06018	0.6
331.09515	0.3
332.06747	0.4
333.03873	0.2
333.07626	0.3
334.04776	0.2
335.05338	0.3
337.03494	0.3
341.04294	0.2
342.05292	0.4
343.06039	0.5
344.03244	0.2
344.09088	0.3
345.03760	0.3
345.07169	0.2
345.10260	0.2
346.04724	0.3
347.05383	0.3
347.09314	0.4
349.03387	0.1
349.07132	0.2
355.05435	0.1
357.03778	0.2
357.07806	0.2
358.08417	0.2
359.05289	0.6
360.06128	0.9
361.03171	0.3
361.07172	0.4
363.04877	0.2
363.08801	0.2
364.05820	0.1
369.03888	0.2
370.04553	0.2
371.05368	0.7
372.06271	0.3
373.03027	0.2
374.04013	0.2
374.08115	0.2
375.04724	0.3
375.08661	1.0
376.09314	0.2
377.06519	0.3
379.04446	0.5
383.05698	0.2
385.03339	0.4
386.07883	0.5
387.04834	2.3
388.05511	1.0
389.06689	0.5
390.11041	0.8
391.04440	0.5
392.05157	0.2
393.05887	0.2
397.03122	0.2
398.04037	0.6
399.04907	0.4
400.06180	0.2
401.02695	0.4
401.06760	0.5
402.03036	0.2
402.07568	0.3
403.04391	0.5
403.08826	0.2
404.04797	0.3
404.09488	0.2
405.05923	0.7
407.03897	0.3
409.12805	0.4
411.05148	0.2
413.06598	0.2
414.07751	0.1
415.04340	9.3
416.05014	0.6
416.09851	0.7
417.05966	2.3
417.11084	0.1
418.06284	0.2
418.10617	1.8
419.07361	0.4
420.04868	0.4
421.09787	0.6
422.10184	0.2
427.03787	0.1
429.05847	0.9
430.06812	1.6
431.07953	1.4
432.08319	2.6
433.09702	0.9
434.10519	0.6
435.11142	0.2
436.07803	0.5
437.08521	0.3
445.09650	8.3
446.09946	3.0
447.10718	2.5
449.08548	0.2
450.09402	6.4
451.10034	0.5
453.05246	0.2
454.06601	0.2
455.07520	0.1
459.07013	0.3
460.07779	0.7
461.08167	0.2
463.10251	0.4
465.05832	0.2
465.11761	1.4
469.09128	0.2
471.03549	0.3
471.10703	0.2
473.08615	0.2
475.10162	2.0
479.06943	0.2
484.07990	0.3
485.04517	0.3
487.10065	0.4
489.11862	0.2
493.11066	0.3
495.06915	0.2
497.08752	0.2
500.07373	0.3
501.08231	0.3
507.07111	0.2
509.04431	0.1
515.09723	1.0
523.06543	0.3
541.07898	0.2
543.09198	0.3
551.06085	0.3
553.11157	0.4
557.10297	0.2
567.09369	0.3
569.06586	0.6
571.12384	0.2
579.05615	0.3
581.10913	0.3
583.08160	0.2
584.09113	0.2
585.09698	0.2
595.08331	0.3
597.06598	3.6
598.07062	0.2
599.12048	1.8
609.10333	0.2
612.08386	0.7
613.09662	0.7
615.07587	0.4
627.11218	5.2
628.11609	0.2
630.09973	0.2
644.11774	0.3
645.12268	100.0
646.12610	5.6
646.23492	0.3
687.13586	0.3
807.17670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03381	0.1
86.34818	0.0
91.05455	0.1
95.04935	0.1
97.02879	0.3
98.21464	0.1
105.03389	0.1
107.04906	0.3
111.04465	0.1
118.13625	0.1
119.04910	0.1
121.81535	0.1
123.04398	0.3
126.03149	0.1
133.02823	0.1
135.04405	0.1
137.02286	0.2
137.05965	0.1
139.03864	0.1
139.07463	0.1
147.04393	0.2
148.05112	0.1
149.05913	0.1
152.69966	0.1
153.01797	1.2
161.02319	0.2
161.05983	0.2
162.06741	0.1
163.03894	0.9
165.01823	0.1
167.07007	0.8
170.02101	0.4
175.03807	0.1
176.04684	0.1
177.05452	0.2
178.02716	0.4
178.06218	3.4
179.03334	0.4
179.06664	0.1
183.02863	0.2
183.04414	0.1
185.05945	0.1
189.01895	0.1
189.05510	0.1
191.03308	0.1
191.06924	0.1
192.04086	0.1
197.05940	0.1
201.05461	0.1
203.03369	0.2
203.07079	0.1
204.04184	0.3
205.04915	0.1
209.04427	0.1
211.03998	0.1
213.05432	0.2
215.07079	0.1
216.04140	1.1
217.04927	0.6
227.03372	0.3
228.04172	0.3
229.04875	0.1
231.02841	0.2
231.06464	0.8
241.04929	0.8
242.05626	0.1
243.06541	0.6
244.03600	1.0
245.04442	0.2
247.07671	0.1
253.04950	0.2
255.02847	7.1
256.03348	0.2
256.07303	0.1
257.04318	0.1
259.06006	1.8
266.05649	0.1
267.06339	0.1
269.04395	2.4
270.04947	0.1
271.05966	0.3
272.03110	0.3
278.05627	0.1
279.06473	0.1
281.04440	0.4
283.02328	1.7
283.05939	0.7
284.03122	0.6
284.06723	0.5
285.03842	0.2
285.07452	0.1
286.04803	0.1
287.05453	8.4
288.05786	0.3
289.10699	0.2
295.05951	0.1
297.03885	2.1
297.07321	0.1
298.04651	0.3
299.05450	1.1
300.02612	2.9
301.03082	0.1
301.07040	0.4
302.07526	0.1
303.04892	1.1
308.06732	0.1
311.05426	0.4
312.06216	1.3
313.07050	1.0
314.04059	0.1
314.07700	0.2
315.04929	45.9
316.05292	1.5
317.10184	0.1
321.04062	0.1
329.06509	1.1
330.07275	18.9
331.07626	0.7
336.06223	0.1
345.09619	100.0
346.09955	3.6
353.10260	0.1
363.08679	0.1
364.05646	0.5
379.08044	0.2
397.09003	0.2
425.08585	0.4
507.14914	1.1
521.10632	0.1
535.81580	0.1
867.30170	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	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02373	1.5
53.03941	9.6
55.01862	1.3
55.05510	1.0
58.54594	0.5
65.03934	15.8
66.04275	0.5
67.05492	6.9
69.53470	4.0
69.53883	1.1
77.03920	1.4
79.05482	72.7
80.05013	2.1
80.05825	1.4
87.77078	0.5
91.05467	100.0
92.05792	1.7
92.06281	3.7
93.05779	1.0
95.04952	16.5
96.04478	0.6
96.05277	0.7
98.21423	1.1
103.05465	1.0
105.04527	4.2
105.07018	24.0
106.07349	0.7
107.04940	27.7
107.08581	21.4
108.04459	1.4
108.05338	0.7
108.08109	2.1
108.08836	0.6
109.06506	11.2
114.65356	0.5
118.06557	0.6
119.06063	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	1081.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02900	1.1
87.04382	0.5
91.74413	0.2
97.02888	1.0
98.20641	0.3
115.03835	0.5
120.55466	0.2
123.07854	0.2
127.03844	0.2
137.02313	0.2
137.05923	0.2
147.04370	0.9
163.03867	0.3
165.05367	0.5
167.06926	0.7
171.04308	0.2
172.84277	0.2
175.03801	0.4
176.06102	0.2
177.05424	0.3
177.06830	0.2
178.07765	0.2
178.09265	0.2
179.03314	0.2
181.04971	1.0
181.06340	0.3
189.06866	0.4
190.07748	0.3
191.03331	0.2
191.08437	0.4
192.04092	0.2
195.07913	0.5
203.08453	0.8
205.06441	0.5
206.07220	0.3
207.06445	1.7
207.08096	0.3
209.04370	1.6
215.03273	0.3
217.06438	0.3
218.07176	0.6
219.02856	1.0
219.08032	2.3
221.05952	0.4
222.06503	0.3
223.07475	0.5
225.07578	0.6
229.06462	0.5
231.08047	1.8
232.05089	0.2
233.05865	0.4
234.06667	1.7
235.07466	1.4
236.08217	0.6
237.05418	1.6
237.09071	0.3
238.05759	0.2
239.06996	0.2
243.02699	0.2
244.05049	0.2
245.05922	0.5
246.06688	0.6
247.07498	4.6
248.04507	0.2
248.08070	0.6
249.05376	1.1
249.09016	0.3
250.06223	2.3
251.06946	0.9
253.04872	0.4
255.02985	0.4
257.05905	0.4
259.07397	0.5
261.05383	0.6
261.08908	0.2
262.06192	3.8
263.06955	3.5
264.07748	2.3
265.04913	2.0
265.08496	2.2
266.05496	0.3
267.06476	0.6
268.07373	0.2
271.06073	0.8
273.05283	0.6
274.06143	0.7
275.07010	2.0
276.04147	0.7
276.07700	1.1
277.04868	0.9
277.08377	1.1
278.03375	0.1
278.05688	4.4
279.06473	5.7
280.07144	1.0
281.04510	0.3
281.07880	0.2
281.39069	0.2
282.05115	0.6
287.05328	0.9
289.04880	0.9
289.07965	0.2
290.05649	3.2
291.06445	3.8
292.04056	0.2
292.07211	4.2
293.04352	2.5
293.07986	5.4
294.05099	1.0
294.08545	0.5
295.05920	2.4
296.06760	1.2
297.07489	0.7
299.05362	0.3
301.04733	0.2
302.05710	0.8
303.06204	2.1
304.03552	0.5
304.07126	0.7
305.04333	1.5
305.07962	0.9
306.05252	2.5
306.08652	0.3
307.06024	3.6
307.09564	0.7
308.06714	5.0
308.10196	0.3
309.07385	0.6
310.08298	1.9
311.08911	0.5
312.06229	0.3
314.07745	2.4
315.04892	2.9
316.05264	0.2
317.04282	0.5
317.07959	0.4
318.05194	2.7
319.05966	4.0
320.02972	0.4
320.06708	5.2
321.03833	6.9
321.07504	5.7
322.04556	1.3
322.08206	0.6
323.05392	5.5
323.09082	1.6
324.06094	1.6
325.06964	2.2
325.10678	0.6
330.07394	1.1
333.03879	0.7
333.07535	0.5
334.04633	0.5
335.05341	1.4
335.09076	2.9
336.06219	5.9
336.09686	0.3
337.06946	2.1
337.10583	0.3
338.07773	7.2
339.04959	0.3
339.08524	1.7
340.05591	1.3
345.09634	5.6
346.04715	0.7
346.09943	0.4
347.05316	1.2
348.06229	1.6
349.03259	1.5
349.07022	2.8
350.04004	0.4
350.07602	0.5
351.04971	0.6
351.08591	5.7
352.09131	0.5
353.10144	11.0
354.10480	0.4
355.08090	0.7
361.07196	0.5
363.08594	7.0
364.05688	45.5
365.06213	3.1
366.07318	2.1
368.05182	3.9
369.09549	0.4
375.04904	0.3
379.08057	22.6
380.08350	1.3
381.09671	6.7
382.06647	1.4
383.07452	1.0
389.06491	0.4
392.05231	0.3
397.09109	23.8
398.09549	1.2
399.10394	0.2
407.07532	3.6
410.06305	0.2
425.08588	100.0
426.08908	4.9
443.09674	4.6
444.09772	0.2
461.10718	0.5
587.13867	0.6
605.05688	0.3
605.14789	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01583	0.4
51.02364	1.2
51.79647	0.3
53.03941	11.5
54.04274	0.5
55.01868	2.7
63.86239	0.3
65.03936	2.8
65.50851	0.3
66.03471	0.6
67.04236	6.2
67.05495	0.7
69.85190	0.2
71.62956	0.3
71.63353	0.3
74.41216	0.3
77.03924	1.4
79.01887	0.3
79.05484	21.7
80.05006	10.5
80.05782	0.8
81.03391	1.6
81.04514	0.4
85.77057	0.3
87.67405	0.3
91.05470	14.4
92.03732	0.4
92.06277	0.4
93.05768	0.5
95.04956	19.7
96.04455	0.5
96.05306	0.5
105.04496	4.3
105.07021	3.8
106.04829	0.3
106.06552	0.3
107.04939	100.0
107.05974	5.6
107.08567	3.2
108.04457	1.8
108.05341	2.7
108.08102	1.1
109.06510	2.3
110.56539	0.3
118.38789	0.3
119.06058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	1.9
53.03939	15.2
60.04513	0.6
65.03930	5.1
69.94427	0.8
69.94839	2.0
77.03915	2.9
79.05480	54.1
80.05816	1.0
81.03400	1.2
86.42834	0.5
90.12051	0.6
95.04955	26.2
101.67466	0.5
103.05453	40.0
104.05734	0.9
105.03392	1.3
105.04514	8.2
105.07014	100.0
106.06536	2.2
106.07343	3.1
118.06580	0.6
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
51.02365	2.8
53.03941	15.3
65.03922	3.2
71.00245	2.1
77.03906	1.7
79.05483	53.8
80.05821	0.7
81.03394	1.0
91.05473	0.8
95.04958	23.2
96.04465	0.9
98.61190	0.7
103.05457	34.5
104.05726	0.8
105.03402	1.7
105.04516	7.1
105.07018	100.0
106.06554	2.3
106.07349	3.1
110.46693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01571	0.6
50.84034	0.5
50.92048	0.5
50.98015	0.5
51.02371	2.1
53.03941	13.6
55.79013	0.6
65.03922	2.1
69.59982	4.5
70.52383	0.5
71.00748	0.6
77.03917	3.4
78.04695	0.7
79.05485	56.2
80.05812	0.8
81.03408	1.5
89.25659	0.6
95.04961	27.9
103.05460	36.7
104.05763	0.8
105.03387	1.9
105.04521	6.9
105.07019	100.0
105.11078	0.8
106.06549	1.5
106.07366	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01596	0.9
50.55925	0.5
51.02371	1.8
51.72785	0.7
53.03939	15.0
63.65501	0.7
65.03925	2.2
68.30363	0.6
71.12023	0.7
71.58144	0.9
71.58540	1.0
77.03921	3.9
79.03223	0.5
79.05482	55.0
80.05799	1.6
81.03403	1.7
93.98961	0.7
95.04953	22.3
96.05305	1.2
103.05457	32.9
104.05749	1.1
105.04525	7.3
105.07015	100.0
106.06589	1.0
106.07360	3.3
115.17136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
73.44266	0.3
85.02891	1.5
87.04444	0.8
87.24225	0.2
95.04930	0.3
97.02878	1.3
101.77067	0.2
115.03870	0.4
127.03897	0.4
133.02797	0.3
133.04878	0.3
135.04376	0.7
137.05930	0.8
137.99541	0.2
145.02739	0.5
147.04355	0.8
151.03859	1.4
159.04239	0.3
161.05899	0.3
163.03816	0.4
164.00974	0.3
171.04362	0.5
175.04001	0.4
177.05469	2.3
179.03358	6.1
179.08533	0.5
187.03799	0.3
189.05417	0.4
189.06940	1.6
191.03342	0.7
192.05338	0.2
195.06438	0.7
203.08521	0.4
205.06390	0.6
206.07211	0.6
207.08096	0.3
215.03209	0.3
217.04787	0.4
217.06462	1.5
218.07156	0.6
219.02852	2.3
221.05984	0.7
222.06686	0.6
228.33177	0.2
231.08131	0.4
233.05850	0.6
234.06740	4.8
235.07507	5.9
236.07993	0.3
237.05455	0.5
238.06276	0.6
243.02888	0.5
245.05956	1.8
246.06573	0.3
247.07471	1.6
248.08208	0.5
249.05350	0.5
249.09053	3.0
250.06210	4.2
251.06973	0.9
252.07761	0.8
253.08601	0.7
255.02856	0.8
259.07629	1.2
260.04645	0.4
260.07730	0.2
261.05493	0.7
261.09033	0.4
262.06223	5.9
263.06995	18.7
264.03967	0.3
264.07547	1.5
265.04849	0.5
265.08609	0.6
266.05795	1.5
267.06375	0.5
267.10242	0.4
269.04364	1.5
269.07748	0.3
273.05533	1.4
275.06891	1.4
276.05048	0.2
276.07651	1.3
277.05035	1.0
277.08521	7.3
278.05716	14.2
278.08755	0.6
279.06461	4.2
280.07236	3.1
281.07980	0.4
284.06738	2.9
287.05750	0.8
287.06888	0.9
288.04108	0.5
289.04895	4.6
290.05695	2.8
291.06445	6.1
292.03983	0.4
292.07135	3.3
293.04666	0.3
293.07977	5.2
294.05222	2.7
294.08353	0.4
295.05997	1.2
295.09598	2.6
296.06595	0.6
303.06848	1.2
305.04456	1.6
305.08029	6.1
306.05222	10.8
306.08636	1.2
307.05960	4.6
307.09570	1.2
308.06769	4.4
309.03931	0.6
309.07513	9.4
310.04633	0.5
310.07898	0.4
315.04910	3.2
316.04114	0.2
317.04416	2.3
318.05188	7.7
319.05807	1.2
320.06500	0.3
321.07529	17.9
322.04620	0.6
322.08279	2.0
323.09100	23.5
324.06226	4.6
324.09543	0.7
325.06903	1.0
325.10583	0.3
330.07275	1.8
331.05835	1.7
332.06702	0.5
333.07535	11.4
334.04675	17.0
335.05402	2.0
336.06226	0.6
337.06998	0.8
338.04236	1.3
339.04822	0.4
339.08649	0.8
345.03903	0.4
345.04630	0.4
345.09647	7.3
346.10004	0.4
348.06171	0.3
349.07010	59.6
350.07425	2.1
351.08594	8.2
352.05685	8.5
353.06494	5.7
359.05469	0.3
367.08081	43.0
368.08545	1.2
369.09534	0.8
377.06509	11.5
378.06763	0.3
395.07559	100.0
396.07889	3.0
413.08630	6.5
414.09259	0.3
423.07077	0.3
431.09732	1.9
503.44507	0.3
557.12604	0.8
575.13855	3.5
649.91333	0.3
717.45569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	5.5
59.07369	1.9
60.08154	55.1
61.08489	0.3
62.41773	0.2
68.05040	0.2
69.03407	0.4
69.94376	0.3
69.94792	0.5
86.06060	0.2
86.09682	0.2
87.04447	1.1
98.20805	0.3
104.10728	100.0
105.11055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42789	0.4
55.67502	0.4
58.06591	4.9
59.07359	1.1
60.08157	48.3
67.01795	0.4
98.20728	1.6
104.10731	100.0
105.11082	1.1
105.86559	0.4
111.65605	0.4
114.40156	0.4
114.52972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	5.0
75.04471	3.2
79.05479	4.7
81.03397	1.2
81.06552	0.6
81.07042	15.8
83.04970	7.4
83.08603	4.4
85.02889	39.1
86.06032	0.7
86.09686	0.4
87.04457	0.9
91.05461	4.8
93.07034	9.9
94.07378	0.5
95.01293	1.9
95.04960	1.1
95.08588	29.9
96.08913	0.5
97.02876	13.0
97.06506	0.4
97.10149	2.8
98.06744	0.4
99.04414	2.2
101.02361	11.7
103.03889	0.6
105.06348	0.7
105.07014	9.8
107.04945	0.5
107.08573	17.0
109.02853	1.2
109.06480	0.5
109.10138	20.1
110.93568	0.4
111.04419	8.2
111.11721	1.2
113.02311	1.1
115.03909	7.5
115.05338	0.5
117.05484	0.7
117.06982	0.9
119.08561	12.5
121.10122	17.0
121.11001	0.8
122.10375	0.4
123.11692	10.5
125.13285	0.4
127.03896	30.8
129.05461	9.3
129.06929	0.5
131.08571	3.2
133.04932	1.4
133.10101	12.0
134.10370	0.3
135.04301	0.4
135.11664	11.6
137.13242	7.0
139.03870	1.1
141.01805	8.1
143.08534	1.4
144.09341	0.4
145.04936	22.7
145.10094	5.2
147.06499	5.7
147.11655	9.0
149.13239	8.8
151.14818	1.2
153.05382	0.6
157.04951	1.3
157.10109	1.2
158.10953	0.6
159.02876	3.0
159.11674	6.7
161.13226	7.8
163.03908	0.6
163.06003	1.3
163.14784	6.3
164.09154	1.4
165.01857	0.4
165.07576	0.7
169.10019	0.4
171.06520	1.1
171.11664	1.6
173.13229	4.9
175.14781	6.1
177.16360	10.2
179.17946	0.9
185.13261	1.3
187.14796	4.9
189.16341	10.0
191.17912	13.3
199.14790	1.4
201.16347	10.3
203.17917	12.8
205.19481	3.3
207.17438	1.7
213.07683	0.4
213.16377	1.6
213.82260	0.4
215.17926	6.5
217.07031	1.6
217.19473	12.0
217.21515	0.7
218.19707	0.6
219.04942	0.6
219.21054	2.0
225.07533	5.2
225.16389	0.5
227.17870	3.0
229.19466	7.7
231.21053	4.3
241.19444	1.4
243.08664	3.4
243.21005	3.1
245.22731	1.9
248.73149	0.4
255.04887	0.9
255.21013	4.5
257.22614	3.8
261.09674	1.2
269.06622	0.5
269.22586	4.9
271.24182	2.0
273.06009	1.8
279.10709	5.3
283.24097	2.3
285.25784	0.6
287.07526	1.7
291.07104	1.0
297.25735	2.0
305.08597	2.6
309.08194	0.9
309.25751	0.5
322.64578	0.4
323.09613	0.9
337.28918	0.5
345.09689	0.9
351.30402	0.8
365.32098	0.4
407.36655	100.0
408.37024	4.7
425.37656	4.5
426.38297	0.4
512.96741	0.4
551.40643	1.1
601.40576	1.2
1040.54517	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	1037.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02872	0.3
75.04426	0.2
79.05444	0.2
81.03388	0.5
83.01291	0.1
83.04969	0.8
85.02883	7.4
87.03967	0.2
87.04446	2.0
91.03901	0.3
93.03373	0.2
93.68859	0.1
95.04912	0.3
97.02872	3.8
97.06487	0.1
99.04416	0.5
101.02336	0.2
103.03905	0.1
104.63116	0.1
107.04899	0.1
109.02814	0.3
111.00790	0.5
111.04426	0.7
115.03909	3.0
116.32829	0.1
117.05440	0.2
121.02835	0.6
123.04367	0.2
125.02246	0.1
125.05923	0.1
125.26075	0.1
127.03899	0.7
129.05450	1.4
133.04944	2.5
135.04384	0.2
137.01288	0.1
137.02301	2.3
137.03345	0.1
139.03818	0.3
143.03333	0.1
145.04898	0.4
145.06264	0.1
147.06497	0.6
149.02351	0.4
149.04393	0.3
153.01781	1.8
157.04909	0.2
161.04503	0.1
161.05943	0.2
163.03929	0.4
165.01782	1.4
165.05478	0.1
166.02594	0.2
169.04895	0.1
171.06473	0.2
173.05908	0.2
174.86354	0.1
177.01834	0.1
177.05363	0.1
179.06964	0.1
181.04813	0.2
183.02805	0.6
183.04330	0.1
187.03886	0.2
189.07544	0.2
191.03326	0.1
193.04837	0.1
195.02844	0.2
199.06075	0.1
201.05461	0.9
203.05437	0.1
207.06467	0.2
219.02951	0.1
219.06477	0.2
224.47858	0.1
225.07491	0.4
228.04033	0.1
229.04942	2.5
229.06998	0.3
233.04596	0.1
239.03387	0.1
243.08624	0.5
247.05940	0.6
247.08090	0.1
255.08592	0.1
257.04349	1.8
259.08115	0.2
261.09647	0.8
265.09076	0.2
274.04651	0.6
275.05276	0.2
279.10785	0.4
285.03870	1.1
286.04388	0.2
287.05679	0.1
295.10306	0.2
299.05518	0.1
302.04218	0.2
303.04919	100.0
304.05255	2.7
315.04849	1.3
316.05600	0.1
327.04840	0.5
341.06787	0.2
345.05951	2.7
369.06152	0.4
381.06012	0.2
387.07187	0.2
399.07007	0.3
413.08569	0.1
417.08051	0.2
429.07727	0.1
431.09457	0.1
435.09116	2.7
447.09390	0.2
449.10593	0.4
465.10190	29.7
466.10489	0.9
597.14355	1.0
611.15771	0.3
627.15814	0.3
942.11041	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	1031.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	0.3
81.03400	0.3
84.08067	0.2
85.02869	0.3
86.09713	0.3
88.44992	0.2
91.05469	0.7
95.08589	0.3
97.02879	0.5
103.05470	0.3
105.07011	0.3
107.04936	0.8
115.05412	0.2
117.03389	0.3
118.04160	0.3
119.04928	0.3
123.04433	0.3
133.06488	0.3
134.03572	0.6
135.04399	1.0
136.05209	0.3
136.06189	0.7
137.02383	0.3
137.05936	0.7
140.63501	0.3
145.02832	0.5
147.04407	0.8
148.05283	0.3
149.05942	1.7
151.03920	0.4
151.07523	0.8
153.01805	0.6
153.05400	0.4
161.05942	0.4
162.06749	0.3
163.03860	2.3
163.07497	0.3
164.04694	0.4
165.01828	0.5
167.03270	0.2
167.07005	1.1
175.03920	0.4
176.01003	0.3
176.04672	0.4
177.05421	2.3
178.06216	5.2
179.03377	1.3
179.06956	0.7
180.04025	0.3
181.04941	0.6
181.08525	0.6
191.03371	3.9
191.06975	3.1
192.07834	0.5
193.04974	0.3
195.06491	1.0
203.03239	0.2
203.07013	0.3
205.04919	3.5
206.05734	1.3
207.06339	0.3
208.03627	0.3
211.07689	0.2
213.05437	0.4
219.06548	0.5
221.08084	1.0
222.05122	0.6
225.05400	0.3
231.06500	0.4
238.82829	0.3
241.05052	0.9
245.04544	0.2
255.02858	0.9
255.06732	0.4
257.04431	0.4
257.08112	0.7
259.05844	0.4
267.15820	0.3
268.03732	0.6
269.04379	1.2
270.04968	0.3
273.07578	0.3
281.04568	0.3
283.02722	0.3
283.05969	1.0
284.06693	0.8
285.04538	0.4
285.07446	2.5
286.04578	0.4
287.05524	0.6
293.04623	0.3
295.06281	0.3
297.03766	1.1
298.04703	0.7
299.05478	0.7
300.02728	0.3
301.07074	1.0
311.05466	0.9
312.06183	2.6
313.07022	3.9
314.04254	0.6
315.04974	4.1
315.08545	1.0
316.09531	0.4
329.06473	1.6
330.07233	1.9
331.07788	0.3
334.04453	0.3
339.04962	0.3
344.08847	6.5
345.09616	6.3
346.10077	0.5
347.05566	0.4
350.19791	0.2
354.40491	0.3
361.07138	0.3
365.06540	0.5
375.05029	0.4
377.06534	0.3
391.04459	0.4
405.05829	0.4
407.07913	0.3
417.05951	0.3
419.03558	0.4
421.05533	0.9
433.05362	0.3
434.06689	0.3
435.07401	0.4
436.08066	0.4
437.05042	0.9
447.03183	1.1
450.09402	1.0
451.10281	0.8
463.06091	1.1
465.08643	0.6
466.08807	0.6
467.09705	2.7
477.08041	0.9
493.07123	0.3
553.07831	0.5
581.07190	0.9
583.12256	0.7
585.14160	0.5
591.05499	1.3
597.13324	0.3
601.13910	0.4
607.08459	0.9
609.06671	0.7
611.11652	1.0
616.16113	0.5
621.09857	1.4
623.11469	0.9
625.09515	0.6
629.12335	0.4
637.13263	0.7
639.11200	6.4
640.11157	0.8
641.12634	1.6
654.13379	0.7
655.14124	0.7
657.12463	1.6
669.16113	1.0
671.13788	0.4
687.16937	100.0
688.17322	9.8
769.17645	0.3
1031.26978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.259
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	0.4
81.07037	0.3
91.05471	0.6
93.07033	0.3
95.01327	0.2
97.02881	0.3
105.06998	0.4
107.04942	0.7
110.03684	0.2
115.42467	0.2
117.03388	0.2
119.04902	0.4
121.06471	0.3
123.04401	0.2
131.04910	0.2
133.02834	0.2
133.06546	0.2
134.03645	0.3
135.04405	1.1
135.05333	0.2
136.06146	1.2
137.02289	0.3
137.05930	0.3
138.95409	0.2
139.07516	0.2
141.06877	0.2
145.02838	0.3
146.08708	0.2
147.04436	1.0
148.05138	0.2
149.05949	1.4
150.06673	0.2
151.03807	0.3
151.07509	1.3
153.01855	0.6
153.05447	0.2
159.04424	0.2
161.02338	0.2
161.05991	0.5
162.03111	0.2
162.06747	0.4
163.03847	2.1
163.04927	0.2
163.07605	0.2
164.04695	0.2
165.01822	0.3
165.09097	0.3
167.07024	0.8
168.07892	0.2
173.06065	0.2
175.03934	0.5
176.01080	0.4
177.05432	1.7
177.06566	0.2
178.06218	5.3
179.03377	1.6
179.06961	0.9
180.04115	0.4
181.08621	0.7
185.05978	0.3
191.03371	3.9
191.06985	3.1
192.07774	0.6
193.04993	0.4
193.08627	0.3
194.09399	0.4
195.06557	0.7
199.03928	0.2
199.07491	0.2
201.05568	0.2
203.03464	0.2
204.04036	0.2
205.04918	4.0
205.08521	0.2
206.05710	1.5
207.02788	0.2
208.03708	0.2
213.05423	0.5
219.06526	0.5
221.08070	1.0
222.05214	0.6
227.06996	0.2
229.04893	0.3
231.06541	0.3
241.04903	0.9
242.05739	0.2
245.08119	0.5
253.04985	0.2
255.02905	0.9
255.06393	0.3
256.07388	0.2
257.08170	0.7
259.06131	0.3
268.03735	0.8
269.04376	1.3
270.05203	0.4
270.36151	0.2
273.07614	0.5
281.04523	0.3
282.01474	0.3
283.02609	0.3
283.06036	0.9
284.03555	0.2
284.06805	0.8
285.04272	0.3
285.07489	2.7
286.04773	0.2
287.05341	0.8
295.06000	0.2
297.03876	1.4
298.04770	0.5
298.08295	0.2
299.05518	0.3
300.02734	0.2
301.06921	1.0
305.08084	0.2
311.05487	0.7
312.06201	3.0
313.03439	0.4
313.06952	3.7
314.04105	0.3
314.07629	0.3
315.04980	4.2
315.08469	0.3
316.09531	0.6
319.06076	0.3
323.05521	0.3
325.07068	0.3
326.07739	0.2
327.08685	0.3
329.06564	1.7
330.07263	1.8
335.05548	0.2
337.06824	0.3
339.04974	0.3
343.07999	0.3
344.08856	6.5
345.09616	5.3
345.13892	0.3
346.10071	0.3
347.05386	0.3
349.03244	0.2
349.07361	0.3
361.07065	0.3
363.04822	0.4
365.06732	0.2
375.05014	0.3
377.06537	0.2
379.08322	0.3
387.05124	0.3
389.06729	0.2
391.04401	0.3
397.09628	0.3
403.04303	0.2
407.07932	0.2
417.06268	0.2
419.03735	0.3
421.04956	0.9
422.08060	0.2
433.05820	0.5
434.06451	0.3
435.07321	0.6
436.08304	0.3
437.04315	1.2
444.96350	0.2
447.03055	1.0
449.09048	0.3
450.09772	1.0
451.10165	0.7
461.05109	0.3
463.06097	1.1
465.07651	0.4
466.08932	0.3
467.09610	2.4
468.10028	0.3
476.07407	0.4
477.08041	0.8
494.06454	0.2
497.08466	0.2
520.04498	0.2
525.07782	0.2
535.06207	0.3
537.07983	0.2
549.04462	0.2
551.10156	0.2
553.07837	0.5
563.05847	0.5
567.12799	0.3
575.06122	0.2
581.06592	0.9
583.12115	0.5
585.13763	0.6
591.05450	1.6
606.07294	0.2
607.09387	0.5
609.06573	0.6
611.12225	0.9
616.16138	0.3
621.09924	1.5
623.11621	1.0
625.09784	0.8
629.12537	0.2
637.13110	0.5
639.11182	6.4
640.11768	0.4
641.12677	2.2
642.12750	0.2
653.12640	0.3
654.13641	0.8
655.14136	1.0
657.12396	1.4
669.15613	0.8
687.16925	100.0
688.17285	6.9
708.87421	0.2
1013.24841	0.2
1031.45544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.0
51.02377	3.6
52.58440	0.5
53.00293	0.8
53.03941	27.7
55.01855	1.9
56.05035	4.0
56.96550	3.9
57.03426	3.3
57.05362	3.3
58.02942	1.7
58.06589	5.4
59.06123	8.6
59.07369	0.7
60.02138	9.4
60.04515	2.0
60.08160	7.2
60.95839	2.3
62.06081	9.7
62.92992	0.6
68.05017	0.8
69.03424	1.1
71.57951	1.2
73.02915	1.4
73.07661	1.8
75.04463	2.1
75.05578	1.3
76.93608	0.5
77.03915	4.5
81.03410	3.0
84.62474	0.7
85.02895	2.9
85.07645	2.2
86.06058	7.3
87.04456	2.4
88.01601	5.7
91.65845	0.6
94.31244	0.7
95.04958	46.4
96.05305	0.9
102.04677	4.9
102.96853	0.9
103.03979	10.0
103.05457	100.0
103.08693	16.8
104.05791	1.1
104.10732	19.5
105.04504	9.7
109.02910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
74.50105	0.4
75.98510	0.4
77.03905	0.5
79.05083	0.4
79.05487	1.9
81.03407	1.1
81.07042	2.2
83.08569	0.5
86.09717	0.5
89.03895	0.4
91.05452	2.2
93.07034	1.9
95.04971	0.7
95.08588	2.5
97.02866	0.4
97.06532	1.0
105.07030	1.8
107.04910	2.0
107.08591	1.5
109.10136	1.0
111.08048	0.5
117.07071	0.7
119.04906	0.4
119.08611	1.6
121.06518	0.9
121.10146	1.7
123.04398	0.6
123.11749	0.7
129.07024	0.4
131.04959	0.7
131.08536	0.6
133.10129	1.0
135.04448	1.3
135.08044	0.6
135.11694	1.2
136.05093	0.5
137.02341	2.2
137.06041	0.7
143.08563	0.4
145.02773	0.5
147.04370	3.5
147.11745	0.8
149.02341	0.8
149.05920	2.2
149.09724	0.6
149.13274	0.8
151.07487	3.0
153.01840	2.3
153.05429	0.8
159.11638	0.5
160.05385	0.5
161.06046	0.8
162.03177	0.7
163.03894	3.2
164.04651	0.9
165.05490	1.2
167.07074	1.9
170.02254	0.6
175.03883	1.2
177.05492	4.0
178.02666	0.6
178.06216	6.0
179.03427	1.8
179.07039	2.0
180.04128	0.4
181.08638	1.1
185.05965	0.7
187.03909	0.7
189.05492	0.9
189.16486	0.5
191.03346	2.1
191.06981	11.4
191.17967	1.3
192.04355	0.5
192.07793	0.7
193.05008	1.6
194.09427	0.5
195.06599	1.3
197.06114	0.6
199.07639	0.5
201.09148	0.5
203.03384	0.8
205.04918	3.5
206.05756	0.6
207.02831	0.6
211.03937	0.5
211.77626	0.4
213.05496	0.9
215.03554	0.6
216.04247	1.5
217.04997	0.7
219.06606	0.7
221.04526	1.5
222.05276	0.7
225.05492	0.7
228.04227	0.5
229.01321	1.3
229.05075	1.0
231.06458	0.9
236.06918	1.3
241.05005	1.9
243.06471	1.0
244.03699	1.1
245.22833	0.5
253.05084	0.6
255.02843	5.1
255.06657	1.0
257.00867	1.0
257.04584	0.8
257.08096	0.7
258.01779	0.9
259.02390	2.1
259.06091	1.3
267.02750	0.5
268.03528	0.7
269.04376	3.3
271.06055	1.0
272.02872	0.4
273.07587	0.7
273.18536	0.5
274.27362	0.8
281.04599	1.0
283.02460	1.1
283.06082	1.7
284.03363	0.9
284.06741	0.9
285.03979	2.5
285.07565	1.4
286.04709	1.3
287.05429	9.2
287.08313	0.6
289.05145	0.6
293.01398	0.5
293.04559	0.9
297.00964	0.7
297.04092	2.6
297.07507	0.7
298.04700	0.9
299.05600	1.6
300.02551	2.0
301.07153	2.0
302.00531	0.6
305.04547	0.5
306.05292	0.6
307.06006	1.0
309.04062	0.5
311.05634	1.7
312.06174	3.6
313.03656	0.7
313.07138	3.8
314.04062	0.6
315.04938	27.9
316.05392	1.0
318.05402	0.9
319.06061	1.6
321.03870	0.6
321.07547	0.6
323.05643	0.6
325.07147	1.0
329.06619	3.4
330.07327	12.5
331.08194	0.8
333.04016	0.9
333.07452	0.6
334.04895	0.9
335.05566	1.9
336.06375	0.6
337.03378	0.5
337.06976	1.0
341.06683	0.6
344.08920	3.6
345.09628	45.2
346.10074	1.5
347.05380	2.5
348.06229	1.1
349.03403	0.6
349.07153	0.6
350.08008	0.6
351.08694	1.0
352.05777	0.7
359.11221	2.6
361.03329	0.7
361.07230	1.7
362.04132	0.7
363.01196	0.6
363.05029	1.8
363.08633	1.3
364.06000	1.0
365.06607	0.7
367.08572	0.6
373.03302	0.8
373.07404	0.8
374.04251	0.8
375.04999	2.2
376.05988	0.9
377.02765	1.0
377.06766	1.4
379.04202	0.7
379.08347	1.2
383.07806	0.7
387.05096	0.9
389.02359	0.8
389.06882	3.1
390.03595	0.8
391.04007	2.2
392.05103	0.9
402.07858	0.6
403.04156	2.9
404.05350	1.6
405.05820	2.3
407.07758	3.4
407.36792	1.1
411.07144	2.9
417.06421	1.6
418.07181	1.3
419.03323	1.1
419.08252	4.3
420.04333	6.6
421.04974	1.2
421.10330	2.1
422.10287	0.5
429.08386	2.2
432.08688	1.1
433.05530	3.6
434.05945	1.4
434.11029	1.1
435.06976	7.2
436.07990	1.1
447.02826	2.6
448.07965	0.9
449.08994	1.0
450.09421	50.1
451.10028	3.3
463.10645	3.9
466.09232	0.7
467.08298	0.6
477.08237	4.9
491.06519	1.4
492.07153	0.8
493.08066	1.6
495.08908	1.3
509.09216	0.7
523.06262	0.8
535.06342	0.5
537.11493	0.6
539.10510	0.7
551.09796	0.5
553.08490	0.7
555.12842	0.7
563.06030	0.5
565.09851	0.5
567.09259	1.0
569.06763	0.6
571.13239	0.7
579.09222	0.9
581.09778	0.6
583.12469	1.5
595.09637	0.6
597.14392	0.6
599.11774	3.0
607.08362	0.8
608.09430	0.6
609.06177	0.8
611.11981	1.6
612.11774	0.5
623.11224	0.6
625.12134	2.3
627.11450	2.0
629.16492	2.8
637.13824	0.8
639.11334	3.9
641.10431	0.5
641.13776	0.5
643.13831	0.6
654.13635	0.7
655.10907	7.3
657.15948	18.5
658.17542	1.0
668.15106	2.5
669.15912	5.5
670.16357	0.7
671.15338	0.9
685.15393	16.4
686.16046	4.6
687.17004	8.0
745.11963	0.6
781.40192	0.5
789.09692	0.5
793.17621	2.5
951.15070	0.6
996.20819	0.6
997.21649	4.0
1011.23279	26.5
1012.22784	2.0
1029.24280	100.0
1030.24731	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	1021.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01319	0.1
71.04982	2.5
71.42584	0.2
73.02879	0.3
73.03486	0.1
75.04444	0.2
81.03389	0.4
83.01295	0.1
83.04974	0.8
85.02885	5.9
87.03967	0.1
87.04450	1.7
88.25156	0.1
91.03899	0.3
95.04922	0.2
97.02251	0.2
97.02871	3.7
97.20110	0.1
99.04443	0.4
103.03934	0.1
105.03373	0.2
107.04922	0.2
109.02840	0.2
109.06531	0.1
111.00758	0.4
111.04414	0.6
113.05939	0.2
115.03098	0.2
115.03903	2.8
117.05445	0.2
121.02843	1.6
123.04401	0.1
125.02293	0.1
125.05940	0.1
127.03893	0.7
128.15744	0.1
129.05452	1.2
131.03337	0.1
133.02791	0.2
133.04938	2.3
133.06415	0.1
137.02277	0.3
138.18678	0.1
139.03842	0.3
145.04935	0.5
145.06488	0.1
147.04359	0.2
147.06474	0.6
149.04405	0.2
151.03835	0.1
153.01781	1.4
153.05339	0.1
157.04884	0.1
157.06438	0.1
163.03857	0.1
163.05928	0.2
165.01802	0.8
171.06410	0.2
175.03816	0.1
179.06982	0.1
183.02890	0.4
185.05908	0.3
187.05991	0.1
189.07417	0.1
207.06419	0.1
213.05415	0.6
225.07555	0.4
229.07069	0.4
231.06493	0.4
241.04883	0.5
243.08575	0.6
247.08110	0.1
255.08733	0.1
258.05072	0.5
259.05917	0.2
261.09686	0.8
265.09229	0.2
269.04337	0.2
279.10748	0.3
286.04956	0.1
287.05438	100.0
288.05768	2.4
295.10208	0.2
299.05408	1.1
299.08517	0.1
300.06207	0.1
311.05502	0.3
325.07010	0.2
329.06509	2.2
337.07071	0.1
353.06497	0.5
365.06403	0.2
371.07648	0.2
383.07547	0.2
397.09256	0.1
401.08362	0.1
415.10361	0.1
419.09613	2.4
431.09650	0.2
433.11343	0.3
449.10718	28.9
450.10944	0.8
581.14911	1.1
611.15771	0.4
961.63342	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	1018.593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01323	1.5
71.04974	7.0
73.02905	3.3
77.03911	2.4
77.83416	1.3
79.05478	82.6
80.05791	1.4
81.03014	1.9
81.03408	19.7
81.07042	100.0
83.04967	17.3
83.08608	19.1
85.02899	12.7
85.06523	6.7
91.03915	3.8
91.05463	81.0
92.05768	1.8
93.07028	81.4
95.01298	1.7
95.04395	1.9
95.04957	20.8
95.08588	46.0
97.02876	10.6
97.06513	26.6
97.10157	20.3
99.04437	3.4
99.08077	3.0
103.05424	3.2
105.04498	2.3
105.07011	69.4
105.16811	1.7
107.04930	16.2
107.08572	55.9
109.02850	4.2
109.06506	9.1
109.10135	24.3
111.04414	1.6
111.08064	8.4
111.08749	1.3
113.09637	1.8
115.05445	4.3
117.06998	32.5
119.07744	2.6
119.08562	43.4
121.06495	10.2
121.10120	24.1
123.08021	7.7
123.11650	4.2
125.09602	15.5
127.03928	7.8
128.06171	4.3
129.05460	2.2
129.06990	12.5
130.07753	3.1
131.04890	1.8
131.08553	31.9
133.06473	3.1
133.10103	37.9
135.08020	7.1
135.11670	21.6
137.09602	4.2
139.11160	2.7
141.06929	6.1
142.07780	1.7
143.08525	13.1
144.09406	1.6
145.04926	2.5
145.06441	3.8
145.10092	34.9
147.07964	3.8
147.11661	18.5
149.09581	22.9
149.13258	14.2
151.11147	5.7
153.09065	1.5
153.12811	1.6
155.08507	5.8
157.10101	10.1
159.07996	3.3
159.11659	23.5
161.00423	1.3
161.09624	4.3
161.13235	9.7
163.11153	16.7
165.09097	1.8
165.12648	3.0
167.08481	1.9
168.09302	1.8
169.10092	8.1
171.11594	9.1
171.75964	1.4
173.04399	4.8
173.05806	1.8
173.09546	2.7
173.11794	2.8
173.13229	9.7
175.11157	3.5
175.14777	2.7
177.12732	8.4
179.14249	5.2
181.10089	4.4
181.12129	1.5
183.11681	8.2
185.13200	3.4
187.11110	2.5
187.14786	2.8
189.11217	9.3
193.10207	1.8
193.12225	2.0
195.11832	2.1
195.13773	5.4
197.13281	7.8
199.14746	2.7
203.14217	1.7
209.13249	2.0
211.14784	2.6
213.12796	1.6
213.14604	2.1
213.16447	2.0
225.16484	2.0
227.12746	24.4
229.14340	5.6
229.19456	4.4
235.16908	1.6
239.17873	4.5
241.10733	1.9
245.13756	3.3
247.20512	5.1
253.17937	3.1
255.15863	18.3
257.18997	17.3
267.15808	6.8
269.17413	39.0
273.18549	2.4
275.20020	76.3
285.14618	1.7
291.19553	3.7
293.21021	6.4
311.19864	1.4
313.21628	2.8
331.22568	5.1
335.18555	1.8
339.17960	2.1
339.23022	1.6
347.22141	2.2
349.23666	73.4
350.24115	2.0
365.23227	1.7
367.24857	6.5
382.86862	1.7
413.21878	3.0
423.27301	4.2
431.27869	2.1
433.30368	2.7
435.27417	3.8
439.26648	2.8
445.29770	2.9
449.28867	22.6
463.30515	27.7
469.33109	2.8
503.33279	6.3
513.35907	2.0
519.33191	3.1
525.36176	7.1
527.37549	1.7
529.35309	20.5
543.36743	70.2
544.36639	1.8
547.36127	2.7
561.37842	8.3
595.43372	2.9
605.42126	2.5
607.34460	3.4
623.42926	25.1
624.42499	2.3
641.43988	10.1
687.41071	3.4
705.41125	2.1
794.99579	1.5
1019.50671	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	1018.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86700	1.1
71.01337	1.7
71.04987	7.4
73.02915	2.1
77.03917	1.9
78.08062	1.2
79.05482	72.9
80.05841	1.5
81.03406	20.5
81.07043	100.0
83.04955	16.9
83.08605	18.4
85.02888	8.7
85.06534	5.3
91.03931	4.3
91.05463	68.6
93.07029	73.0
95.04951	19.9
95.08588	41.4
96.08921	1.6
97.02877	8.9
97.06512	21.6
97.10149	15.4
99.04446	5.1
99.08073	4.3
105.04474	1.8
105.07014	54.3
107.04949	12.6
107.08575	52.9
108.08974	1.4
109.02856	4.2
109.06485	12.5
109.09418	2.0
109.10138	20.2
111.04421	2.8
111.08039	6.5
111.11658	1.2
113.06002	1.5
113.09644	1.4
115.05477	3.8
116.06226	1.6
117.06998	27.0
119.04973	1.2
119.08562	39.2
121.06516	8.0
121.10128	23.7
123.04422	1.4
123.08044	6.6
123.11685	6.4
125.09621	11.3
127.03873	7.4
128.06198	2.2
129.05467	1.9
129.06990	11.5
130.07771	2.4
131.08551	31.7
133.06477	3.5
133.10103	37.7
135.08009	7.8
135.11674	23.9
137.09616	5.8
137.13275	1.4
139.11159	2.8
141.06944	3.5
142.07796	2.0
143.08548	8.2
144.09271	1.4
145.04941	2.3
145.06467	3.1
145.10097	23.6
147.08032	3.1
147.11647	17.9
149.09590	21.7
149.13245	16.9
151.11171	4.0
153.09103	1.9
155.08548	6.4
157.10139	9.0
159.08087	3.3
159.11655	24.2
161.09569	4.3
161.13226	9.8
163.11176	15.4
165.12715	1.8
167.08522	2.3
168.09364	1.6
169.10107	6.1
171.08049	1.7
171.10254	2.6
171.11665	7.1
173.04425	6.8
173.09637	2.2
173.11833	2.6
173.13257	9.3
175.11140	3.7
175.14815	1.4
177.12732	6.0
179.14313	5.0
181.10101	2.6
181.12218	2.1
183.08086	1.9
183.11659	7.0
185.09581	1.5
185.13246	4.7
187.11143	3.7
187.14809	3.1
189.11215	8.3
193.12247	2.6
195.11873	2.4
195.13785	8.5
197.13249	5.7
199.14757	2.1
201.12746	2.5
201.16316	1.4
209.13266	1.5
211.14960	1.6
219.13689	2.5
221.13228	1.6
224.00789	1.3
227.12691	19.5
227.14453	1.7
229.14293	4.0
229.19507	4.2
233.15219	2.0
239.17905	6.3
245.13702	2.2
247.20619	3.8
253.18036	1.8
255.15814	15.4
257.18985	17.1
259.20538	2.8
267.15823	6.3
269.17429	65.6
273.18445	1.7
275.20004	71.9
291.19440	3.0
293.21072	5.6
313.21805	2.5
321.24457	2.2
331.22534	6.2
333.24246	1.9
349.23700	64.3
350.23605	1.5
367.24771	8.3
383.22675	1.2
395.20840	1.5
409.25858	1.6
413.21658	3.2
423.27536	4.1
431.27713	1.8
433.30936	2.9
435.27188	3.4
439.27026	3.5
445.29428	4.8
445.97998	1.5
447.31537	1.9
449.28928	31.6
451.32236	1.9
463.30511	48.6
467.95105	1.4
469.33038	2.2
503.33640	3.5
507.34506	1.9
511.34683	2.1
515.37292	2.5
519.33185	2.9
525.35632	9.6
529.35358	16.5
543.36725	86.1
544.36743	3.6
545.37830	1.6
547.36005	1.4
561.37799	11.3
593.33087	1.9
605.41882	2.1
607.35272	6.1
623.43152	15.9
641.43976	9.2
659.44818	1.7
669.39563	2.0
687.40576	4.8
705.40936	2.5
717.33002	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	1016.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84487	2.0
71.08639	0.6
73.02916	1.2
77.03907	1.2
79.05482	44.4
81.03408	10.3
81.07044	49.5
83.04973	8.3
83.08606	14.9
85.02892	5.4
85.06528	2.6
86.72531	0.5
90.56159	0.6
91.03941	1.4
91.05468	37.8
93.07031	38.2
94.04145	0.8
95.01297	0.6
95.04956	16.1
95.08595	23.2
97.02881	12.8
97.06516	11.9
97.10154	17.2
97.10682	0.3
97.10792	0.6
99.04426	1.2
99.08076	2.0
101.22645	0.7
103.05446	2.0
105.04506	1.0
105.07012	30.5
105.35049	0.6
107.04939	13.5
107.08579	33.5
109.02852	2.7
109.06518	5.8
109.10145	13.5
111.04440	1.6
111.08043	3.9
113.06044	0.7
113.09623	1.3
115.05417	2.8
116.06217	1.0
117.06996	15.7
118.06603	0.6
119.04930	0.9
119.08569	22.4
121.06480	6.1
121.10117	10.8
123.04417	1.2
123.08051	5.8
123.11691	3.6
124.36425	0.6
125.09616	13.3
127.03873	2.2
128.06216	2.8
129.05467	1.3
129.06990	7.4
130.07826	1.2
131.08553	18.0
133.06462	4.0
133.10104	17.5
134.07217	1.0
135.08035	6.2
135.11668	9.2
137.09570	3.1
141.06952	2.7
142.07721	1.5
143.08542	6.4
144.35657	0.6
145.04982	1.0
145.06476	2.5
145.10118	13.9
147.08023	6.2
147.11670	9.6
149.09607	8.0
149.13252	7.6
151.11169	2.7
153.07109	0.7
153.09093	2.0
155.08496	2.7
157.10107	4.9
159.08009	1.7
159.11674	10.9
161.09581	4.6
161.13191	2.8
162.10382	1.2
163.11169	7.4
163.14815	0.6
165.09056	2.1
165.12733	0.9
167.08493	1.2
169.10103	2.8
169.12268	1.2
171.10178	1.7
171.11670	3.5
173.04459	1.5
173.09656	1.4
173.11839	1.1
173.13231	4.3
175.11183	3.5
177.12729	3.5
179.10703	0.7
179.14276	2.0
181.10075	0.7
181.12209	0.9
183.11696	2.0
185.13245	2.1
187.11154	1.8
187.14873	1.0
189.11182	7.6
189.12726	0.6
191.14383	0.8
193.12251	1.7
195.11716	0.9
195.13759	3.8
197.13214	1.4
199.11153	0.9
199.14900	0.7
203.14252	0.7
205.12242	1.7
209.13335	0.7
211.13176	0.8
213.16508	0.7
215.14401	0.9
215.17891	0.8
221.15225	0.8
223.13243	18.4
227.12743	17.4
227.17874	1.3
229.14284	1.1
229.19447	1.6
233.15350	1.0
239.17880	2.0
242.28653	0.6
245.13658	0.9
245.18877	1.5
247.20549	1.5
249.14658	3.8
251.16226	0.7
253.14247	3.3
255.15561	3.3
257.19012	7.4
258.19135	0.7
263.20193	1.1
267.15845	3.1
269.17422	12.7
273.18484	14.9
275.20035	23.9
290.18683	0.8
291.19501	100.0
292.19843	2.8
293.21069	1.9
297.16898	1.1
299.20367	0.6
309.20712	1.8
313.21484	1.3
313.87106	0.6
314.65350	0.8
315.23395	0.7
331.22574	2.6
333.24170	1.4
347.22156	3.8
349.23679	23.5
365.23187	48.1
366.23468	1.8
367.24527	1.2
377.27264	0.8
381.22525	1.0
413.21725	1.7
423.24219	0.9
447.27695	0.6
461.28809	2.6
465.28458	0.9
479.29819	0.7
491.30048	0.8
501.32809	0.8
503.32050	0.6
511.29407	0.7
519.33203	3.3
527.33435	1.0
535.32483	3.3
540.71436	0.8
541.35144	3.6
543.36475	2.0
545.34668	13.1
546.34631	1.1
559.36255	50.0
560.36688	2.9
595.02277	0.7
599.40063	1.0
611.42340	1.2
621.41736	2.9
639.42499	45.0
640.42694	2.9
657.43555	5.6
703.39771	2.0
783.46637	0.9
801.48315	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	101.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
56.05031	15.9
56.96547	5.5
58.99845	1.9
59.06120	33.3
60.04517	11.7
60.95845	5.4
60.99605	1.8
71.37849	1.7
71.38197	2.4
72.06857	1.6
74.06063	2.0
77.00838	1.7
79.01845	2.9
82.01453	2.8
83.01505	5.1
83.06091	4.4
84.01176	3.0
84.04504	3.8
85.85741	1.4
100.02457	9.1
101.00863	21.5
101.02541	28.8
101.07130	6.8
101.30650	1.8
102.02225	11.6
110.39748	1.6
118.03521	5.1
119.01903	100.0
119.03612	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01860	5.2
55.05504	15.3
56.05027	6.8
56.96556	17.7
57.03429	4.1
58.06559	1.9
58.96136	0.9
58.99852	3.4
59.04992	10.6
59.06118	25.1
59.52168	1.5
59.96157	1.4
59.99924	2.0
60.04520	4.2
60.37743	0.7
60.95849	7.4
60.99597	1.1
62.75704	0.8
65.52187	0.9
68.00224	0.9
68.02610	2.2
68.58984	0.6
68.99756	0.9
69.01878	0.9
69.03409	0.9
69.42277	6.6
70.99828	1.4
71.01350	9.8
71.02950	0.8
71.04951	2.0
71.95228	1.1
72.08138	4.3
72.52953	1.1
73.02907	6.1
74.02418	5.3
74.06065	4.7
74.97554	0.8
77.00863	7.1
78.00975	1.1
78.52953	0.9
79.01830	1.9
79.60350	0.7
80.52662	1.4
82.01411	1.9
82.06555	1.9
82.99833	0.9
83.00755	1.1
83.01498	2.4
83.04980	6.9
83.06105	0.7
83.06907	5.0
84.01152	1.5
84.04499	4.5
84.06856	0.9
84.08134	10.7
85.02915	3.2
85.03342	0.8
88.73805	0.7
88.99127	1.0
89.00852	1.1
90.01527	0.8
92.01273	1.0
95.01911	2.7
98.01276	1.3
98.03983	0.6
98.97556	1.9
100.02466	13.2
101.00870	15.2
101.02528	31.9
101.06027	4.6
101.07128	3.9
101.07919	2.9
102.00954	1.2
102.02222	12.5
102.02866	0.6
102.05520	2.4
102.09167	10.9
102.12775	0.7
115.01183	1.3
115.02426	1.5
116.98602	1.9
118.03500	9.2
119.01902	100.0
119.03593	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06568	0.6
71.01313	0.5
71.05865	0.3
71.62215	0.7
73.02907	0.4
77.03899	0.6
78.04684	0.4
79.05473	0.8
81.03399	0.7
84.08078	0.4
85.02887	9.0
87.04448	4.4
89.03902	6.4
91.05460	11.6
93.07027	1.1
94.04175	0.7
95.04962	1.8
97.02876	5.5
99.04400	0.6
102.04669	1.0
103.05444	4.9
105.03368	2.2
105.07014	2.2
106.04132	0.5
107.04903	1.6
107.08521	0.3
109.02849	0.9
109.06491	1.3
115.03915	3.8
115.05416	1.1
117.03355	18.1
117.06993	0.6
119.04917	15.6
121.06479	2.6
122.03657	1.6
123.04372	0.6
123.08072	0.4
124.05150	1.6
125.05953	1.1
127.03884	5.9
128.06142	0.5
129.06935	0.5
130.04103	1.3
131.04900	5.4
133.02823	13.5
133.04926	1.6
133.06456	3.2
134.03590	1.5
135.04378	2.5
135.08038	0.4
137.05946	29.9
138.06236	0.5
143.04881	0.7
144.05641	0.5
145.02817	53.5
145.06494	1.3
146.03259	1.4
147.04378	17.0
148.04872	0.4
149.05952	14.2
150.06740	3.0
151.03860	1.2
151.07513	5.6
152.08229	0.5
153.01814	0.5
153.05429	0.6
155.04900	0.4
157.06430	0.3
158.03600	0.9
159.04390	1.0
160.05176	1.4
161.02313	2.6
161.05952	11.2
162.03073	0.6
162.06725	8.5
163.03841	1.7
163.07513	8.5
164.04587	0.5
164.08318	0.6
165.04161	0.5
165.05403	3.0
167.06947	0.4
173.05937	3.7
174.06660	0.5
175.03877	10.2
175.07501	1.8
176.04628	0.7
177.05431	100.0
178.05983	2.9
179.06998	15.8
180.07785	1.4
185.05957	0.8
186.03088	1.4
186.05397	1.5
187.07504	1.0
189.05402	1.6
189.06990	0.4
191.07014	2.4
193.04906	5.1
195.06511	0.8
199.08778	0.7
200.04646	0.5
201.05423	31.9
202.05722	0.6
203.07018	2.0
205.04834	0.6
205.06612	1.5
207.06471	1.4
211.03946	0.4
212.09491	0.4
213.05202	1.5
213.10159	0.9
215.07066	1.0
216.04117	0.4
217.08522	0.6
218.07159	0.4
219.06412	4.1
222.06766	0.5
227.03487	0.4
227.08118	1.0
227.11751	1.0
228.04041	0.4
228.08833	0.4
231.06467	5.0
233.05963	2.8
233.08080	0.7
234.06625	1.2
235.07544	0.4
237.09113	1.0
239.11707	0.4
241.04803	0.6
241.09538	0.9
243.06482	1.0
245.05791	0.5
245.08032	0.5
245.12766	0.9
247.07622	0.4
248.08389	0.4
249.09361	0.6
250.06177	1.1
251.06984	0.8
253.04895	1.0
253.08377	0.4
255.02910	2.0
255.08289	0.3
255.11220	2.2
256.03583	0.4
257.04340	1.0
257.08038	0.5
259.05914	0.5
261.05231	1.5
261.07785	0.6
262.06265	1.5
263.06824	0.6
263.09259	0.5
264.07715	0.7
265.08517	4.4
266.09393	0.5
267.02878	0.5
267.06326	0.4
267.11142	0.4
269.04486	0.5
269.08551	0.3
271.06003	1.2
272.06155	0.4
273.05347	0.4
273.12305	0.4
277.05023	0.5
277.08530	2.2
278.05688	1.0
279.06342	0.5
279.10040	0.6
281.04465	2.2
283.05957	1.0
283.10724	2.4
285.07599	0.6
285.12122	0.4
287.05392	2.8
287.10168	0.5
290.05667	1.3
292.07205	2.1
293.07855	3.4
294.08472	0.5
295.02261	0.6
296.06750	1.1
297.04016	0.7
297.07483	0.6
297.11099	1.0
298.04520	0.6
299.05447	4.1
300.02643	0.6
301.11725	2.1
305.07962	3.7
306.08771	0.6
307.09567	3.3
309.11179	1.6
311.05453	2.1
311.09647	0.6
312.02667	0.4
312.06198	0.5
313.06989	0.8
313.11407	1.3
314.07751	0.8
315.04929	16.3
316.05396	0.7
317.11264	0.8
319.09543	0.4
321.09695	4.3
322.08420	0.4
323.09030	2.4
324.06308	0.9
325.10623	31.2
326.07669	0.5
326.10983	0.9
327.04901	4.8
329.10809	8.4
330.07266	6.5
330.10440	0.3
331.07935	0.5
335.11124	0.5
337.10678	12.0
339.11093	1.6
341.06491	0.5
341.10394	0.7
342.07352	2.6
342.11090	0.5
343.11685	2.8
345.09619	47.1
346.10138	1.5
351.10672	1.1
355.11682	29.6
356.12054	1.3
357.09613	46.2
358.09818	1.6
361.13867	4.7
363.10645	2.5
373.12744	10.6
374.12701	0.6
375.10477	0.4
393.11685	0.6
457.14502	0.5
467.07443	0.4
467.13434	3.6
469.14911	2.5
481.14838	0.4
487.15958	12.6
488.16281	0.4
499.15930	5.5
500.16342	0.4
506.89496	0.3
517.16980	5.3
535.18011	2.9
619.20093	0.8
641.21606	0.5
667.21680	3.1
685.20068	4.7
687.18097	1.1
699.20929	1.0
717.22626	10.2
718.23431	0.6
847.25690	2.9
879.27881	4.1
970.34528	0.4
979.28876	0.5
1011.32922	0.5
1018.20233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	0.8
71.04976	3.1
71.59235	1.8
73.02916	1.8
77.03927	0.7
79.05481	36.9
81.03404	3.6
81.07044	60.6
82.07392	0.8
83.04955	3.8
83.08606	12.4
85.02879	4.1
85.06532	3.0
91.03935	3.4
91.05470	26.6
93.07031	47.9
95.04953	7.4
95.08589	38.9
95.09212	1.3
97.02868	3.4
97.06535	6.1
97.10144	7.8
99.04500	0.9
99.08035	1.1
103.07526	0.8
105.07013	19.1
107.04945	4.1
107.08578	29.9
109.06483	3.8
109.10136	40.3
111.08059	4.1
113.09689	1.1
117.07006	8.2
119.08565	19.5
121.06486	2.0
121.10123	20.3
123.08040	3.2
123.11700	7.3
125.09599	5.0
127.03971	2.0
129.05521	0.8
129.07011	3.3
131.08530	13.9
133.10115	15.5
135.08026	3.2
135.11681	14.0
137.09575	3.1
137.13208	1.9
139.11151	1.1
143.08557	2.9
145.04895	1.2
145.10100	12.4
147.08025	1.2
147.11670	9.9
149.09595	4.0
149.13231	10.1
151.11159	1.7
155.10622	1.8
157.10139	2.5
159.11682	11.1
161.13220	6.9
163.11145	2.2
163.14783	2.8
164.18163	0.8
165.12756	1.0
171.11671	2.8
173.11713	6.4
173.13234	5.0
175.14775	1.1
177.12729	1.9
179.14331	1.5
181.10016	0.9
183.11732	1.0
185.13263	2.2
187.14780	2.7
189.11157	2.2
191.08560	0.8
191.14293	1.2
197.13257	1.2
199.14742	1.0
201.16324	1.2
211.14737	1.3
215.17830	1.0
219.86888	0.8
227.12726	6.5
229.14323	29.9
229.19426	1.4
230.14519	1.5
239.17839	1.5
243.21085	3.8
247.20506	1.9
257.18979	4.1
259.20609	1.6
261.22107	12.8
267.15881	1.2
269.17426	13.8
275.17218	1.5
275.20029	19.3
286.57367	0.9
286.95132	0.9
293.21075	2.8
317.24744	1.9
331.22647	1.7
333.24298	2.0
335.25748	100.0
336.26065	4.2
345.24356	0.9
349.23676	17.3
351.25089	1.1
367.24744	9.9
397.31384	1.3
471.34720	1.8
489.35745	37.3
490.35962	1.8
505.34894	1.4
507.36768	3.7
515.37433	1.3
529.38812	45.1
530.39008	3.2
569.41589	2.6
609.45038	45.4
610.45251	3.5
627.46143	27.8
628.46350	2.2
633.39746	3.2
673.42596	3.7
771.50409	1.1
920.05609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06558	2.4
71.01363	1.6
71.04975	4.9
73.02906	4.5
76.71021	1.5
77.03917	1.5
78.68539	1.4
79.05482	83.2
81.03403	15.8
81.07043	100.0
83.04969	12.5
83.08604	22.7
85.02898	11.3
85.06512	5.2
91.03931	4.9
91.05469	91.5
92.05773	2.1
93.07030	90.1
94.07330	2.2
95.04954	19.6
95.08591	54.8
96.08961	1.9
97.02876	10.5
97.06509	11.8
97.10149	11.4
99.04434	3.0
99.08072	4.7
103.05448	5.1
105.04502	2.5
105.07017	88.2
106.07317	2.1
107.04940	8.9
107.07841	2.6
107.08576	48.9
109.02859	2.4
109.06516	11.1
109.10149	27.2
111.08070	6.3
113.09615	3.2
115.05454	4.3
116.06235	1.6
117.07000	35.1
119.08563	74.6
121.06480	6.2
121.10128	36.1
122.97360	1.6
123.08053	7.5
123.11672	6.6
125.09620	8.1
127.03905	4.8
128.06180	7.6
129.05487	2.9
129.06978	25.2
130.07806	2.5
131.08548	44.8
133.06445	3.0
133.10112	53.3
134.10452	2.5
135.08029	7.2
135.11662	22.4
136.06140	3.2
137.09613	5.6
139.11197	1.7
141.06975	7.3
142.07729	4.5
143.08545	23.0
145.06387	2.4
145.10100	44.6
146.10478	2.2
147.08044	4.3
147.10579	3.0
147.11674	39.2
149.09592	14.4
149.13210	14.3
151.11139	2.2
153.06940	3.1
154.07681	2.0
155.08521	12.0
157.10115	21.3
159.08023	3.8
159.11682	35.7
161.09581	3.7
161.13245	19.1
163.11165	6.8
163.14809	2.7
165.12794	2.2
167.08517	6.3
169.10097	16.8
171.08034	1.6
171.11649	23.9
173.04414	3.7
173.11813	2.7
173.13202	16.4
175.11192	5.3
175.14801	6.9
177.12692	3.1
179.08575	3.1
179.14333	2.2
181.10129	6.7
182.10832	1.8
183.11664	17.7
185.09586	1.9
185.13225	15.9
187.11151	3.2
187.14827	6.2
189.11192	4.1
189.12714	2.5
189.16376	2.0
193.10069	2.9
195.11696	8.6
195.13716	2.5
197.13266	11.4
199.11084	3.0
199.14818	9.5
201.16229	2.7
207.11771	4.3
209.13216	8.0
211.14735	6.2
213.16350	4.8
215.17950	2.8
219.17529	2.2
223.14787	4.7
225.16356	4.7
227.12744	4.8
229.14328	4.2
229.19507	1.8
231.21043	3.1
235.14789	3.0
237.16359	4.2
237.26575	1.6
239.17964	4.5
241.19516	18.7
243.21115	1.9
255.15878	7.3
257.18921	7.0
259.20560	50.3
260.20895	2.6
261.22192	4.0
265.19452	2.1
267.15863	5.0
269.17361	12.4
271.20615	1.8
273.18478	4.9
275.17508	1.2
275.20090	22.8
276.20276	2.1
277.21579	2.1
283.20346	2.7
287.20212	2.5
289.21613	2.5
291.19452	4.6
297.22293	2.2
301.21771	2.2
311.23566	1.9
313.21643	3.0
315.23184	4.8
321.21930	2.0
325.21533	2.8
327.22922	1.9
331.22684	2.3
333.24225	53.1
334.24591	2.7
335.25916	10.5
337.24515	2.3
344.26566	2.1
349.23782	16.0
365.23376	2.8
365.28262	2.2
367.24841	2.7
403.29633	3.4
421.30630	4.2
423.27332	1.9
435.32397	6.6
439.32275	3.1
453.33566	5.6
471.34659	2.5
487.34180	2.4
489.35474	2.0
501.35406	2.7
509.35919	4.7
513.35651	27.5
514.35699	2.4
515.37787	6.7
525.35431	3.1
527.37256	52.8
528.37769	4.2
531.36047	2.4
533.39594	5.5
539.37500	2.2
543.36682	2.1
545.38702	7.7
551.40955	3.3
567.40448	2.4
597.45190	2.5
607.43512	50.3
608.43506	4.9
625.44574	47.2
626.44794	3.7
635.38873	2.8
643.45374	3.3
671.40564	4.7
689.41870	5.0
715.45294	2.2
733.46478	2.3
769.48029	3.3
787.48706	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	1000.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	0.4
71.08624	0.9
71.61936	0.4
73.02910	0.8
79.05483	5.3
81.02956	0.3
81.03410	4.9
81.07041	6.3
83.04963	1.2
83.08610	3.0
85.02884	2.0
85.10160	0.7
91.03944	1.0
91.05468	6.8
93.07037	5.3
95.04959	2.7
95.08588	4.5
97.02888	2.5
97.06499	0.6
97.10162	2.0
99.43991	0.3
99.96163	0.3
103.05450	0.6
105.07011	6.0
107.04942	1.0
107.08582	3.5
109.05154	0.3
109.06509	1.1
109.10146	2.9
111.08061	0.9
117.07001	2.4
119.03529	1.0
119.08549	5.0
120.22681	0.3
121.06503	0.6
121.10130	2.3
123.04416	0.3
123.08063	0.6
123.11686	0.6
125.09612	1.2
127.03905	0.5
128.06177	0.4
129.07013	1.9
131.08566	2.6
133.06439	0.5
133.10115	3.1
135.08023	0.7
135.11720	1.4
136.06166	100.0
137.04607	1.4
137.06560	0.5
137.09619	0.4
141.06949	0.6
142.07791	0.4
143.08543	1.2
145.04918	0.3
145.10107	1.7
147.08008	0.9
147.11685	2.0
149.09621	0.5
149.13248	0.6
151.11206	0.4
151.57532	0.3
153.12717	0.3
153.26341	0.3
155.08534	0.5
157.10098	1.7
159.08070	0.6
159.11685	1.0
161.09572	0.4
161.13226	1.5
163.11121	0.7
169.10106	1.0
171.11638	1.1
173.13295	0.9
175.11172	0.8
175.14841	0.9
177.12692	0.5
178.07173	0.5
183.11739	0.4
185.13246	0.6
189.11235	0.9
191.23804	0.3
193.12195	1.9
197.13304	0.4
199.11212	0.3
199.14839	0.7
207.11597	0.4
209.13297	0.4
213.16321	0.4
223.13217	1.5
227.12769	1.3
241.19539	1.4
249.14828	0.4
253.14365	0.4
259.20547	2.9
267.15860	5.1
268.15884	0.3
273.18475	0.8
275.20096	0.8
283.15457	0.7
289.17984	0.5
291.19476	8.7
298.11395	0.4
313.27332	5.8
313.30457	0.2
315.23187	0.5
333.24301	3.3
335.25653	2.1
365.23209	3.6
381.22659	0.4
461.28827	0.3
505.38739	3.9
511.33551	0.3
513.37555	0.3
525.35974	0.8
529.35199	0.8
531.38092	0.3
543.36755	2.4
549.39606	0.6
605.42059	0.6
623.43091	5.2
624.43250	0.5
641.44110	2.2
658.44818	1.2
676.46356	3.5
820.50854	1.8
838.51520	3.6
982.55768	1.7
1000.57660	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	1000.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	3.7
79.05482	35.2
80.05795	1.0
81.03400	12.4
81.07040	33.1
83.04974	5.3
83.08607	11.3
84.87255	1.1
85.02885	4.6
85.06519	1.6
91.03922	2.0
91.05463	38.4
93.07028	31.0
95.04959	11.2
95.08592	21.0
96.08918	1.0
97.02882	7.3
97.06506	3.5
97.10156	11.2
99.08078	1.9
103.05411	1.8
105.06345	1.9
105.07014	33.1
105.07729	1.6
107.04954	5.7
107.08578	20.0
109.06486	4.0
109.10142	13.6
111.08044	2.6
115.05431	1.9
117.06998	16.0
119.04904	1.7
119.08557	27.7
121.06480	3.4
121.10118	9.1
123.08042	4.3
123.11699	2.2
125.09627	9.2
127.03915	1.7
128.06190	3.5
129.06964	10.5
131.08528	16.3
133.06485	4.0
133.10101	20.8
134.07281	1.2
135.08034	3.9
135.11667	8.1
136.06163	100.0
137.09605	1.7
139.07474	1.0
141.06961	1.6
142.07710	1.9
143.08539	8.8
144.09355	1.3
145.05000	1.7
145.06424	1.4
145.10118	14.9
147.07980	3.3
147.11667	13.8
149.09584	3.1
149.13213	4.1
151.11156	2.0
154.07758	1.1
155.08519	2.4
157.10120	7.9
159.08057	1.8
159.11656	8.7
161.09589	2.9
161.13226	9.6
163.11159	3.3
163.14738	1.4
167.08450	1.6
167.84004	1.1
169.10094	4.2
171.10303	2.0
171.11630	8.5
173.13240	5.1
175.11125	2.2
175.14786	5.5
177.12753	2.0
181.10088	2.2
183.11665	3.4
185.13258	5.9
187.14796	2.6
189.11163	3.9
193.10126	1.2
193.12155	1.9
195.11705	2.5
197.13191	2.5
199.14784	3.2
209.13301	1.4
211.14851	1.9
213.16281	1.7
217.15768	1.1
223.13196	11.1
227.12715	8.2
239.17923	2.1
241.19449	10.6
249.14651	2.3
253.14290	2.1
257.19037	2.2
259.20544	23.3
261.21994	1.1
267.15829	6.4
273.18356	5.6
275.20074	3.6
289.18118	1.4
291.19492	59.8
292.19958	2.3
299.23660	1.3
313.27112	6.5
315.23145	3.0
333.24271	20.6
335.25748	5.3
365.23163	22.6
379.29922	1.9
381.22733	1.5
437.29929	1.3
505.38568	3.8
508.23218	1.1
511.34058	2.5
513.36597	1.5
525.35712	5.1
529.35059	1.5
543.36597	10.3
558.11377	1.1
605.41748	5.8
623.42969	36.9
624.43353	1.7
641.44006	6.6
647.42303	1.2
676.46283	3.7
838.51526	3.3
982.55054	1.8
END